data_18222 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18222 _Entry.PDB_ID 2LOR 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 18222 _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 VAL N N 2 121.590 121.590 120.258 1.332 18222 2 1 1 . 1 1 2 2 VAL CA C 2 61.600 61.600 62.118 -0.518 18222 3 1 1 . 1 1 2 2 VAL CB C 2 31.900 31.900 32.854 -0.954 18222 4 1 1 . 1 1 2 2 VAL H H 2 8.010 8.010 8.449 -0.439 18222 5 1 1 . 1 1 3 3 ASN N N 3 122.520 122.520 125.050 -2.530 18222 6 1 1 . 1 1 3 3 ASN HA H 3 4.020 4.020 4.762 -0.742 18222 7 1 1 . 1 1 3 3 ASN CA C 3 52.640 52.640 53.798 -1.159 18222 8 1 1 . 1 1 3 3 ASN CB C 3 38.330 38.330 39.481 -1.151 18222 9 1 1 . 1 1 3 3 ASN H H 3 8.360 8.360 9.043 -0.683 18222 10 1 1 . 1 1 4 4 LEU N N 4 123.830 123.830 116.271 7.559 18222 11 1 1 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.752 -0.532 18222 12 1 1 . 1 1 4 4 LEU CA C 4 54.620 54.620 54.823 -0.203 18222 13 1 1 . 1 1 4 4 LEU CB C 4 41.680 41.680 44.566 -2.886 18222 14 1 1 . 1 1 4 4 LEU H H 4 8.220 8.220 7.620 0.600 18222 15 1 1 . 1 1 5 5 GLY N N 5 106.810 106.810 111.944 -5.134 18222 16 1 1 . 1 1 5 5 GLY CA C 5 45.800 45.800 45.298 0.502 18222 17 1 1 . 1 1 5 5 GLY H H 5 8.030 8.030 8.139 -0.109 18222 18 1 1 . 1 1 6 6 LEU N N 6 120.820 120.820 120.030 0.790 18222 19 1 1 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.507 -0.457 18222 20 1 1 . 1 1 6 6 LEU CA C 6 55.990 55.990 57.125 -1.135 18222 21 1 1 . 1 1 6 6 LEU CB C 6 40.800 40.800 41.043 -0.243 18222 22 1 1 . 1 1 6 6 LEU H H 6 8.030 8.030 8.308 -0.278 18222 23 1 1 . 1 1 7 7 SER N N 7 115.540 115.540 117.109 -1.569 18222 24 1 1 . 1 1 7 7 SER HA H 7 4.100 4.100 4.180 -0.080 18222 25 1 1 . 1 1 7 7 SER CA C 7 60.580 60.580 62.190 -1.610 18222 26 1 1 . 1 1 7 7 SER CB C 7 62.060 62.060 62.480 -0.420 18222 27 1 1 . 1 1 7 7 SER H H 7 8.360 8.360 8.466 -0.106 18222 28 1 1 . 1 1 8 8 ARG N N 8 120.690 120.690 121.889 -1.199 18222 29 1 1 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.071 0.089 18222 30 1 1 . 1 1 8 8 ARG CA C 8 57.350 57.350 59.052 -1.702 18222 31 1 1 . 1 1 8 8 ARG CB C 8 29.230 29.230 30.119 -0.889 18222 32 1 1 . 1 1 8 8 ARG H H 8 7.830 7.830 7.616 0.214 18222 33 1 1 . 1 1 9 9 VAL N N 9 119.330 119.330 121.234 -1.904 18222 34 1 1 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.554 0.616 18222 35 1 1 . 1 1 9 9 VAL CA C 9 64.720 64.720 67.398 -2.678 18222 36 1 1 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.672 -0.772 18222 37 1 1 . 1 1 9 9 VAL H H 9 7.620 7.620 7.640 -0.020 18222 38 1 1 . 1 1 10 10 ASP N N 10 119.520 119.520 120.119 -0.599 18222 39 1 1 . 1 1 10 10 ASP CA C 10 54.960 54.960 58.017 -3.057 18222 40 1 1 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.546 -2.746 18222 41 1 1 . 1 1 10 10 ASP H H 10 8.180 8.180 8.444 -0.264 18222 42 1 1 . 1 1 11 11 ASP N N 11 121.550 121.550 120.946 0.604 18222 43 1 1 . 1 1 11 11 ASP CA C 11 54.440 54.440 57.786 -3.346 18222 44 1 1 . 1 1 11 11 ASP CB C 11 37.840 37.840 40.512 -2.672 18222 45 1 1 . 1 1 11 11 ASP H H 11 7.950 7.950 8.128 -0.178 18222 46 1 1 . 1 1 12 12 ALA N N 12 120.220 120.220 122.168 -1.948 18222 47 1 1 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.124 -0.755 18222 48 1 1 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.557 6.173 18222 49 1 1 . 1 1 12 12 ALA H H 12 8.090 8.090 8.172 -0.082 18222 50 1 1 . 1 1 13 13 VAL N N 13 116.910 116.910 119.049 -2.139 18222 51 1 1 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.623 0.517 18222 52 1 1 . 1 1 13 13 VAL CA C 13 64.900 64.900 67.044 -2.144 18222 53 1 1 . 1 1 13 13 VAL CB C 13 31.000 31.000 31.548 -0.548 18222 54 1 1 . 1 1 13 13 VAL H H 13 7.980 7.980 7.980 -0.000 18222 55 1 1 . 1 1 14 14 ALA N N 14 122.200 122.200 122.542 -0.342 18222 56 1 1 . 1 1 14 14 ALA HA H 14 4.020 4.020 4.125 -0.105 18222 57 1 1 . 1 1 14 14 ALA CA C 14 53.800 53.800 55.100 -1.300 18222 58 1 1 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.608 -0.818 18222 59 1 1 . 1 1 14 14 ALA H H 14 8.030 8.030 8.147 -0.117 18222 60 1 1 . 1 1 15 15 ALA N N 15 118.600 118.600 118.499 0.101 18222 61 1 1 . 1 1 15 15 ALA CA C 15 53.230 53.230 54.387 -1.157 18222 62 1 1 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.667 -0.657 18222 63 1 1 . 1 1 15 15 ALA H H 15 7.530 7.530 8.118 -0.588 18222 64 1 1 . 1 1 16 16 LYS N N 16 115.820 115.820 117.777 -1.957 18222 65 1 1 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.241 -0.161 18222 66 1 1 . 1 1 16 16 LYS CA C 16 55.670 55.670 57.338 -1.668 18222 67 1 1 . 1 1 16 16 LYS CB C 16 32.640 32.640 33.604 -0.964 18222 68 1 1 . 1 1 16 16 LYS H H 16 7.490 7.490 7.753 -0.263 18222 69 1 1 . 1 1 17 17 HIS N N 17 116.790 116.790 118.928 -2.138 18222 70 1 1 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.916 -0.816 18222 71 1 1 . 1 1 17 17 HIS CA C 17 52.820 52.820 53.105 -0.285 18222 72 1 1 . 1 1 17 17 HIS CB C 17 28.400 28.400 30.631 -2.231 18222 73 1 1 . 1 1 17 17 HIS H H 17 8.130 8.130 8.116 0.014 18222 74 1 1 . 1 1 18 18 PRO CA C 18 63.800 63.800 63.200 0.600 18222 75 1 1 . 1 1 18 18 PRO CB C 18 30.800 30.800 31.774 -0.974 18222 76 1 1 . 1 1 19 19 GLY N N 19 110.260 110.260 110.557 -0.297 18222 77 1 1 . 1 1 19 19 GLY CA C 19 45.490 45.490 46.371 -0.881 18222 78 1 1 . 1 1 19 19 GLY H H 19 8.730 8.730 8.141 0.589 18222 79 1 1 . 1 1 20 20 LEU N N 20 122.650 122.650 124.058 -1.408 18222 80 1 1 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.321 -0.231 18222 81 1 1 . 1 1 20 20 LEU CA C 20 57.060 57.060 56.972 0.088 18222 82 1 1 . 1 1 20 20 LEU H H 20 7.980 7.980 8.260 -0.280 18222 83 1 1 . 1 1 21 21 GLY N N 21 107.000 107.000 106.496 0.504 18222 84 1 1 . 1 1 21 21 GLY CA C 21 46.710 46.710 46.976 -0.266 18222 85 1 1 . 1 1 21 21 GLY H H 21 8.570 8.570 8.754 -0.184 18222 86 1 1 . 1 1 22 22 GLU N N 22 121.610 121.610 121.532 0.078 18222 87 1 1 . 1 1 22 22 GLU HA H 22 3.990 3.990 3.996 -0.006 18222 88 1 1 . 1 1 22 22 GLU CA C 22 58.280 58.280 59.689 -1.409 18222 89 1 1 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.579 -1.569 18222 90 1 1 . 1 1 22 22 GLU H H 22 8.100 8.100 8.265 -0.165 18222 91 1 1 . 1 1 23 23 TYR N N 23 120.870 120.870 120.595 0.275 18222 92 1 1 . 1 1 23 23 TYR CA C 23 60.380 60.380 61.634 -1.254 18222 93 1 1 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.319 -0.570 18222 94 1 1 . 1 1 23 23 TYR H H 23 7.910 7.910 7.513 0.397 18222 95 1 1 . 1 1 24 24 ALA N N 24 121.420 121.420 121.307 0.113 18222 96 1 1 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.840 0.300 18222 97 1 1 . 1 1 24 24 ALA CA C 24 54.260 54.260 55.073 -0.813 18222 98 1 1 . 1 1 24 24 ALA H H 24 8.410 8.410 8.442 -0.032 18222 99 1 1 . 1 1 25 25 ALA N N 25 120.220 120.220 121.814 -1.594 18222 100 1 1 . 1 1 25 25 ALA CA C 25 54.370 54.370 54.774 -0.404 18222 101 1 1 . 1 1 25 25 ALA H H 25 8.090 8.090 8.202 -0.112 18222 102 1 1 . 1 1 26 26 CYS N N 26 116.760 116.760 117.584 -0.824 18222 103 1 1 . 1 1 26 26 CYS CA C 26 61.180 61.180 63.307 -2.127 18222 104 1 1 . 1 1 26 26 CYS CB C 26 26.390 26.390 27.331 -0.941 18222 105 1 1 . 1 1 26 26 CYS H H 26 7.950 7.950 8.487 -0.537 18222 106 1 1 . 1 1 27 27 GLN N N 27 118.690 118.690 120.655 -1.965 18222 107 1 1 . 1 1 27 27 GLN CA C 27 55.970 55.970 59.205 -3.235 18222 108 1 1 . 1 1 27 27 GLN H H 27 8.060 8.060 8.138 -0.078 18222 109 1 1 . 1 1 28 28 SER N N 28 115.490 115.490 115.161 0.329 18222 110 1 1 . 1 1 28 28 SER HA H 28 3.990 3.990 4.171 -0.181 18222 111 1 1 . 1 1 28 28 SER CA C 28 61.110 61.110 61.494 -0.384 18222 112 1 1 . 1 1 28 28 SER H H 28 7.980 7.980 8.355 -0.375 18222 113 1 1 . 1 1 29 29 HIS N N 29 120.880 120.880 122.754 -1.874 18222 114 1 1 . 1 1 29 29 HIS CA C 29 58.190 58.190 59.590 -1.400 18222 115 1 1 . 1 1 29 29 HIS CB C 29 27.460 27.460 30.224 -2.764 18222 116 1 1 . 1 1 29 29 HIS H H 29 8.180 8.180 8.364 -0.184 18222 117 1 1 . 1 1 30 30 ALA N N 30 122.920 122.920 122.453 0.467 18222 118 1 1 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.090 -0.530 18222 119 1 1 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.180 -0.690 18222 120 1 1 . 1 1 30 30 ALA H H 30 8.040 8.040 7.961 0.079 18222 121 1 1 . 1 1 31 31 PHE N N 31 119.340 119.340 119.887 -0.547 18222 122 1 1 . 1 1 31 31 PHE CA C 31 60.370 60.370 61.366 -0.996 18222 123 1 1 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.328 -0.807 18222 124 1 1 . 1 1 31 31 PHE H H 31 8.230 8.230 8.343 -0.113 18222 125 1 1 . 1 1 32 32 MET N N 32 118.110 118.110 119.548 -1.438 18222 126 1 1 . 1 1 32 32 MET HA H 32 4.050 4.050 3.904 0.146 18222 127 1 1 . 1 1 32 32 MET CA C 32 58.280 58.280 59.143 -0.863 18222 128 1 1 . 1 1 32 32 MET CB C 32 31.090 31.090 32.534 -1.444 18222 129 1 1 . 1 1 32 32 MET H H 32 8.120 8.120 8.493 -0.373 18222 130 1 1 . 1 1 33 33 LYS N N 33 119.040 119.040 120.181 -1.141 18222 131 1 1 . 1 1 33 33 LYS HA H 33 3.930 3.930 3.928 0.002 18222 132 1 1 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.718 -0.678 18222 133 1 1 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.256 -1.266 18222 134 1 1 . 1 1 33 33 LYS H H 33 7.970 7.970 8.246 -0.276 18222 135 1 1 . 1 1 34 34 GLY N N 34 108.840 108.840 106.888 1.952 18222 136 1 1 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.196 -0.585 18222 137 1 1 . 1 1 34 34 GLY H H 34 8.030 8.030 8.114 -0.084 18222 138 1 1 . 1 1 35 35 VAL N N 35 122.910 122.910 122.309 0.601 18222 139 1 1 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.537 0.683 18222 140 1 1 . 1 1 35 35 VAL CA C 35 66.310 66.310 66.720 -0.410 18222 141 1 1 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.517 -0.957 18222 142 1 1 . 1 1 35 35 VAL H H 35 8.090 8.090 7.891 0.199 18222 143 1 1 . 1 1 36 36 PHE N N 36 120.020 120.020 120.225 -0.205 18222 144 1 1 . 1 1 36 36 PHE CA C 36 61.350 61.350 61.985 -0.635 18222 145 1 1 . 1 1 36 36 PHE CB C 36 38.090 38.090 39.288 -1.198 18222 146 1 1 . 1 1 36 36 PHE H H 36 8.350 8.350 8.309 0.041 18222 147 1 1 . 1 1 37 37 THR N N 37 116.980 116.980 114.026 2.954 18222 148 1 1 . 1 1 37 37 THR HA H 37 4.050 4.050 3.848 0.202 18222 149 1 1 . 1 1 37 37 THR CA C 37 66.000 66.000 65.635 0.365 18222 150 1 1 . 1 1 37 37 THR CB C 37 68.270 68.270 68.805 -0.535 18222 151 1 1 . 1 1 37 37 THR H H 37 8.520 8.520 8.207 0.313 18222 152 1 1 . 1 1 38 38 PHE N N 38 123.090 123.090 121.011 2.079 18222 153 1 1 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.209 0.151 18222 154 1 1 . 1 1 38 38 PHE CA C 38 61.140 61.140 61.050 0.090 18222 155 1 1 . 1 1 38 38 PHE CB C 38 41.200 41.200 39.558 1.642 18222 156 1 1 . 1 1 38 38 PHE H H 38 8.010 8.010 7.944 0.066 18222 157 1 1 . 1 1 39 39 VAL N N 39 117.280 117.280 120.332 -3.052 18222 158 1 1 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.678 0.532 18222 159 1 1 . 1 1 39 39 VAL CA C 39 66.000 66.000 66.151 -0.151 18222 160 1 1 . 1 1 39 39 VAL CB C 39 30.860 30.860 31.959 -1.099 18222 161 1 1 . 1 1 39 39 VAL H H 39 8.530 8.530 8.661 -0.131 18222 162 1 1 . 1 1 40 40 THR N N 40 109.470 109.470 113.201 -3.731 18222 163 1 1 . 1 1 40 40 THR HA H 40 4.060 4.060 4.065 -0.005 18222 164 1 1 . 1 1 40 40 THR CA C 40 63.390 63.390 62.912 0.478 18222 165 1 1 . 1 1 40 40 THR CB C 40 68.650 68.650 67.637 1.013 18222 166 1 1 . 1 1 40 40 THR H H 40 7.700 7.700 7.709 -0.009 18222 167 1 1 . 1 1 41 41 GLY N N 41 110.770 110.770 109.038 1.732 18222 168 1 1 . 1 1 41 41 GLY CA C 41 45.580 45.580 45.363 0.217 18222 169 1 1 . 1 1 41 41 GLY H H 41 7.700 7.700 7.846 -0.146 18222 170 1 1 . 1 1 42 42 THR N N 42 114.520 114.520 116.361 -1.841 18222 171 1 1 . 1 1 42 42 THR CA C 42 63.300 63.300 60.831 2.469 18222 172 1 1 . 1 1 42 42 THR CB C 42 69.490 69.490 68.509 0.981 18222 173 1 1 . 1 1 42 42 THR H H 42 7.720 7.720 7.194 0.526 18222 174 1 1 . 1 1 43 43 GLY N N 43 109.540 109.540 110.087 -0.547 18222 175 1 1 . 1 1 43 43 GLY CA C 43 46.250 46.250 46.637 -0.387 18222 176 1 1 . 1 1 43 43 GLY H H 43 8.110 8.110 7.947 0.163 18222 177 1 1 . 1 1 44 44 MET N N 44 120.240 120.240 121.053 -0.813 18222 178 1 1 . 1 1 44 44 MET HA H 44 4.100 4.100 3.991 0.109 18222 179 1 1 . 1 1 44 44 MET CA C 44 57.700 57.700 59.037 -1.337 18222 180 1 1 . 1 1 44 44 MET CB C 44 32.030 32.030 32.227 -0.198 18222 181 1 1 . 1 1 44 44 MET H H 44 7.730 7.730 7.837 -0.107 18222 182 1 1 . 1 1 45 45 ALA N N 45 121.560 121.560 121.345 0.215 18222 183 1 1 . 1 1 45 45 ALA CA C 45 54.440 54.440 55.103 -0.663 18222 184 1 1 . 1 1 45 45 ALA CB C 45 17.400 17.400 18.023 -0.624 18222 185 1 1 . 1 1 45 45 ALA H H 45 7.950 7.950 7.809 0.141 18222 186 1 1 . 1 1 46 46 PHE N N 46 118.260 118.260 119.027 -0.767 18222 187 1 1 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.283 -0.353 18222 188 1 1 . 1 1 46 46 PHE CA C 46 59.820 59.820 59.569 0.251 18222 189 1 1 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.443 -0.183 18222 190 1 1 . 1 1 46 46 PHE H H 46 7.860 7.860 8.137 -0.277 18222 191 1 1 . 1 1 47 47 GLY N N 47 107.300 107.300 108.665 -1.365 18222 192 1 1 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.225 -0.665 18222 193 1 1 . 1 1 47 47 GLY H H 47 8.200 8.200 8.576 -0.376 18222 194 1 1 . 1 1 48 48 LEU N N 48 121.920 121.920 122.991 -1.071 18222 195 1 1 . 1 1 48 48 LEU HA H 48 4.040 4.040 4.102 -0.062 18222 196 1 1 . 1 1 48 48 LEU CA C 48 57.580 57.580 57.900 -0.320 18222 197 1 1 . 1 1 48 48 LEU CB C 48 40.790 40.790 41.817 -1.027 18222 198 1 1 . 1 1 48 48 LEU H H 48 8.180 8.180 8.261 -0.081 18222 199 1 1 . 1 1 49 49 GLN N N 49 118.270 118.270 118.176 0.094 18222 200 1 1 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.947 -0.117 18222 201 1 1 . 1 1 49 49 GLN CA C 49 58.880 58.880 59.196 -0.316 18222 202 1 1 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.529 -1.289 18222 203 1 1 . 1 1 49 49 GLN H H 49 8.080 8.080 8.177 -0.097 18222 204 1 1 . 1 1 50 50 MET N N 50 117.630 117.630 119.903 -2.273 18222 205 1 1 . 1 1 50 50 MET HA H 50 4.010 4.010 4.110 -0.100 18222 206 1 1 . 1 1 50 50 MET CA C 50 57.730 57.730 58.972 -1.242 18222 207 1 1 . 1 1 50 50 MET CB C 50 27.160 27.160 32.593 -5.433 18222 208 1 1 . 1 1 50 50 MET H H 50 7.880 7.880 8.074 -0.194 18222 209 1 1 . 1 1 51 51 PHE N N 51 119.550 119.550 120.155 -0.605 18222 210 1 1 . 1 1 51 51 PHE CA C 51 60.850 60.850 61.741 -0.891 18222 211 1 1 . 1 1 51 51 PHE CB C 51 38.720 38.720 39.327 -0.607 18222 212 1 1 . 1 1 51 51 PHE H H 51 7.890 7.890 8.301 -0.411 18222 213 1 1 . 1 1 52 52 ILE N N 52 117.950 117.950 118.918 -0.968 18222 214 1 1 . 1 1 52 52 ILE HA H 52 4.050 4.050 4.010 0.040 18222 215 1 1 . 1 1 52 52 ILE CA C 52 63.560 63.560 63.809 -0.249 18222 216 1 1 . 1 1 52 52 ILE CB C 52 36.810 36.810 37.677 -0.867 18222 217 1 1 . 1 1 52 52 ILE H H 52 8.110 8.110 8.378 -0.268 18222 218 1 1 . 1 1 53 53 GLN N N 53 117.360 117.360 119.323 -1.963 18222 219 1 1 . 1 1 53 53 GLN CA C 53 57.200 57.200 58.259 -1.059 18222 220 1 1 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.343 -0.472 18222 221 1 1 . 1 1 53 53 GLN H H 53 7.930 7.930 8.142 -0.212 18222 222 1 1 . 1 1 54 54 ARG N N 54 116.840 116.840 118.611 -1.771 18222 223 1 1 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.137 -0.187 18222 224 1 1 . 1 1 54 54 ARG CA C 54 56.480 56.480 57.352 -0.872 18222 225 1 1 . 1 1 54 54 ARG CB C 54 28.970 28.970 30.060 -1.090 18222 226 1 1 . 1 1 54 54 ARG H H 54 7.540 7.540 7.856 -0.316 18222 227 1 1 . 1 1 55 55 LYS N N 55 117.900 117.900 117.643 0.257 18222 228 1 1 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.199 -0.119 18222 229 1 1 . 1 1 55 55 LYS CA C 55 55.030 55.030 57.021 -1.991 18222 230 1 1 . 1 1 55 55 LYS CB C 55 32.010 32.010 32.181 -0.171 18222 231 1 1 . 1 1 55 55 LYS H H 55 7.660 7.660 7.446 0.214 18222 232 1 1 . 1 1 56 56 PHE N N 56 121.060 121.060 122.204 -1.144 18222 233 1 1 . 1 1 56 56 PHE CA C 56 55.190 55.190 55.022 0.168 18222 234 1 1 . 1 1 56 56 PHE CB C 56 38.970 38.970 40.094 -1.124 18222 235 1 1 . 1 1 56 56 PHE H H 56 8.080 8.080 7.802 0.278 18222 236 1 1 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.594 -1.204 18222 237 1 1 . 1 1 57 57 PRO CB C 57 30.580 30.580 31.813 -1.233 18222 238 1 1 . 1 1 58 58 TYR N N 58 120.240 120.240 120.919 -0.679 18222 239 1 1 . 1 1 58 58 TYR CA C 58 55.770 55.770 55.345 0.425 18222 240 1 1 . 1 1 58 58 TYR CB C 58 40.220 40.220 39.503 0.717 18222 241 1 1 . 1 1 58 58 TYR H H 58 7.700 7.700 7.937 -0.237 18222 242 1 1 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.727 -1.597 18222 243 1 1 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.188 1.152 18222 244 1 1 . 1 1 60 60 LEU N N 60 122.210 122.210 120.368 1.842 18222 245 1 1 . 1 1 60 60 LEU CA C 60 54.250 54.250 54.608 -0.358 18222 246 1 1 . 1 1 60 60 LEU CB C 60 41.470 41.470 42.530 -1.060 18222 247 1 1 . 1 1 60 60 LEU H H 60 7.880 7.880 7.753 0.127 18222 248 1 1 . 1 1 61 61 GLN N N 61 122.470 122.470 120.190 2.280 18222 249 1 1 . 1 1 61 61 GLN CA C 61 54.170 54.170 55.456 -1.286 18222 250 1 1 . 1 1 61 61 GLN H H 61 7.970 7.970 8.220 -0.250 18222 251 1 1 . 1 1 62 62 TRP N N 62 124.590 124.590 127.794 -3.204 18222 252 1 1 . 1 1 62 62 TRP CA C 62 59.830 59.830 61.894 -2.064 18222 253 1 1 . 1 1 62 62 TRP CB C 62 28.800 28.800 29.192 -0.392 18222 254 1 1 . 1 1 62 62 TRP H H 62 8.240 8.240 8.489 -0.249 18222 255 1 1 . 1 1 63 63 SER N N 63 113.320 113.320 113.278 0.042 18222 256 1 1 . 1 1 63 63 SER CA C 63 61.100 61.100 61.253 -0.153 18222 257 1 1 . 1 1 63 63 SER H H 63 8.410 8.410 8.353 0.057 18222 258 1 1 . 1 1 64 64 LEU N N 64 123.230 123.230 122.862 0.368 18222 259 1 1 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.388 -0.508 18222 260 1 1 . 1 1 64 64 LEU CB C 64 40.830 40.830 42.026 -1.196 18222 261 1 1 . 1 1 64 64 LEU H H 64 7.230 7.230 7.147 0.083 18222 262 1 1 . 1 1 65 65 LEU N N 65 119.400 119.400 120.257 -0.857 18222 263 1 1 . 1 1 65 65 LEU HA H 65 3.890 3.890 4.034 -0.144 18222 264 1 1 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.570 -0.990 18222 265 1 1 . 1 1 65 65 LEU CB C 65 40.710 40.710 42.040 -1.330 18222 266 1 1 . 1 1 65 65 LEU H H 65 7.510 7.510 8.731 -1.221 18222 267 1 1 . 1 1 66 66 VAL N N 66 116.950 116.950 119.224 -2.274 18222 268 1 1 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.614 0.346 18222 269 1 1 . 1 1 66 66 VAL CA C 66 66.260 66.260 65.529 0.730 18222 270 1 1 . 1 1 66 66 VAL CB C 66 30.570 30.570 31.325 -0.755 18222 271 1 1 . 1 1 66 66 VAL H H 66 7.950 7.950 8.108 -0.158 18222 272 1 1 . 1 1 67 67 ALA N N 67 120.650 120.650 122.280 -1.630 18222 273 1 1 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.182 -0.182 18222 274 1 1 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.219 -0.439 18222 275 1 1 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.416 -0.976 18222 276 1 1 . 1 1 67 67 ALA H H 67 7.450 7.450 8.049 -0.599 18222 277 1 1 . 1 1 68 68 VAL N N 68 118.440 118.440 118.258 0.182 18222 278 1 1 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.633 0.117 18222 279 1 1 . 1 1 68 68 VAL CA C 68 65.250 65.250 66.960 -1.710 18222 280 1 1 . 1 1 68 68 VAL CB C 68 30.850 30.850 32.001 -1.151 18222 281 1 1 . 1 1 68 68 VAL H H 68 7.960 7.960 7.845 0.115 18222 282 1 1 . 1 1 69 69 VAL N N 69 120.800 120.800 120.511 0.289 18222 283 1 1 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.621 0.599 18222 284 1 1 . 1 1 69 69 VAL CA C 69 66.020 66.020 67.611 -1.591 18222 285 1 1 . 1 1 69 69 VAL CB C 69 30.850 30.850 31.571 -0.721 18222 286 1 1 . 1 1 69 69 VAL H H 69 8.080 8.080 8.550 -0.470 18222 287 1 1 . 1 1 70 70 ALA N N 70 121.740 121.740 120.722 1.018 18222 288 1 1 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.211 -0.291 18222 289 1 1 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.399 -0.479 18222 290 1 1 . 1 1 70 70 ALA CB C 70 17.620 17.620 17.999 -0.379 18222 291 1 1 . 1 1 70 70 ALA H H 70 8.660 8.660 8.528 0.132 18222 292 1 1 . 1 1 71 71 GLY N N 71 103.450 103.450 106.991 -3.541 18222 293 1 1 . 1 1 71 71 GLY CA C 71 46.300 46.300 46.981 -0.681 18222 294 1 1 . 1 1 71 71 GLY H H 71 8.010 8.010 8.077 -0.067 18222 295 1 1 . 1 1 72 72 SER N N 72 118.160 118.160 118.143 0.017 18222 296 1 1 . 1 1 72 72 SER CA C 72 61.260 61.260 61.435 -0.175 18222 297 1 1 . 1 1 72 72 SER CB C 72 62.870 62.870 63.112 -0.242 18222 298 1 1 . 1 1 72 72 SER H H 72 7.870 7.870 8.083 -0.213 18222 299 1 1 . 1 1 73 73 VAL N N 73 121.340 121.340 122.202 -0.862 18222 300 1 1 . 1 1 73 73 VAL CA C 73 65.750 65.750 67.405 -1.655 18222 301 1 1 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.934 -1.194 18222 302 1 1 . 1 1 73 73 VAL H H 73 8.050 8.050 8.263 -0.213 18222 303 1 1 . 1 1 74 74 VAL N N 74 118.680 118.680 118.794 -0.114 18222 304 1 1 . 1 1 74 74 VAL CA C 74 65.770 65.770 66.947 -1.177 18222 305 1 1 . 1 1 74 74 VAL CB C 74 30.740 30.740 30.761 -0.021 18222 306 1 1 . 1 1 74 74 VAL H H 74 7.880 7.880 8.552 -0.672 18222 307 1 1 . 1 1 75 75 SER N N 75 114.750 114.750 116.427 -1.677 18222 308 1 1 . 1 1 75 75 SER HA H 75 4.100 4.100 4.132 -0.032 18222 309 1 1 . 1 1 75 75 SER CA C 75 60.870 60.870 61.881 -1.011 18222 310 1 1 . 1 1 75 75 SER CB C 75 62.340 62.340 62.981 -0.641 18222 311 1 1 . 1 1 75 75 SER H H 75 7.870 7.870 8.009 -0.139 18222 312 1 1 . 1 1 76 76 TYR N N 76 121.110 121.110 121.827 -0.717 18222 313 1 1 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.770 -1.720 18222 314 1 1 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.384 -0.404 18222 315 1 1 . 1 1 76 76 TYR H H 76 7.860 7.860 8.320 -0.460 18222 316 1 1 . 1 1 77 77 GLY N N 77 107.300 107.300 107.256 0.044 18222 317 1 1 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.164 -0.604 18222 318 1 1 . 1 1 77 77 GLY H H 77 8.200 8.200 8.460 -0.260 18222 319 1 1 . 1 1 78 78 VAL N N 78 119.470 119.470 121.420 -1.950 18222 320 1 1 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.732 0.438 18222 321 1 1 . 1 1 78 78 VAL CA C 78 64.650 64.650 66.124 -1.474 18222 322 1 1 . 1 1 78 78 VAL H H 78 8.140 8.140 8.814 -0.674 18222 323 1 1 . 1 1 79 79 THR N N 79 112.100 112.100 116.070 -3.970 18222 324 1 1 . 1 1 79 79 THR CA C 79 63.460 63.460 66.889 -3.429 18222 325 1 1 . 1 1 79 79 THR CB C 79 68.650 68.650 68.581 0.069 18222 326 1 1 . 1 1 79 79 THR H H 79 7.640 7.640 8.076 -0.436 18222 327 1 1 . 1 1 80 80 ARG N N 80 120.770 120.770 122.067 -1.297 18222 328 1 1 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.225 -0.065 18222 329 1 1 . 1 1 80 80 ARG CA C 80 56.790 56.790 59.457 -2.667 18222 330 1 1 . 1 1 80 80 ARG CB C 80 29.430 29.430 30.078 -0.648 18222 331 1 1 . 1 1 80 80 ARG H H 80 7.680 7.680 8.130 -0.450 18222 332 1 1 . 1 1 81 81 VAL N N 81 118.370 118.370 120.548 -2.178 18222 333 1 1 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.903 0.017 18222 334 1 1 . 1 1 81 81 VAL CA C 81 63.340 63.340 66.100 -2.760 18222 335 1 1 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.774 -0.514 18222 336 1 1 . 1 1 81 81 VAL H H 81 7.730 7.730 8.360 -0.630 18222 337 1 1 . 1 1 82 82 GLU N N 82 120.620 120.620 120.178 0.442 18222 338 1 1 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.765 -3.445 18222 339 1 1 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.277 -1.347 18222 340 1 1 . 1 1 82 82 GLU H H 82 7.920 7.920 8.770 -0.850 18222 341 1 1 . 1 1 83 83 SER N N 83 116.240 116.240 116.060 0.180 18222 342 1 1 . 1 1 83 83 SER CA C 83 59.250 59.250 61.608 -2.358 18222 343 1 1 . 1 1 83 83 SER CB C 83 63.160 63.160 62.906 0.254 18222 344 1 1 . 1 1 83 83 SER H H 83 7.960 7.960 8.301 -0.341 18222 345 1 1 . 1 1 84 84 GLU N N 84 123.280 123.280 122.147 1.133 18222 346 1 1 . 1 1 84 84 GLU HA H 84 4.080 4.080 4.060 0.020 18222 347 1 1 . 1 1 84 84 GLU CA C 84 57.860 57.860 59.626 -1.766 18222 348 1 1 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.673 -1.483 18222 349 1 1 . 1 1 84 84 GLU H H 84 8.470 8.470 8.088 0.382 18222 350 1 1 . 1 1 85 85 LYS N N 85 118.650 118.650 119.484 -0.834 18222 351 1 1 . 1 1 85 85 LYS HA H 85 4.100 4.100 4.170 -0.070 18222 352 1 1 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.370 -1.591 18222 353 1 1 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.684 -1.304 18222 354 1 1 . 1 1 85 85 LYS H H 85 7.940 7.940 8.179 -0.239 18222 355 1 1 . 1 1 86 86 CYS N N 86 117.070 117.070 118.348 -1.278 18222 356 1 1 . 1 1 86 86 CYS CA C 86 60.910 60.910 62.397 -1.487 18222 357 1 1 . 1 1 86 86 CYS CB C 86 26.740 26.740 26.497 0.243 18222 358 1 1 . 1 1 86 86 CYS H H 86 7.840 7.840 8.469 -0.629 18222 359 1 1 . 1 1 87 87 ASN N N 87 119.370 119.370 119.904 -0.534 18222 360 1 1 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.531 -0.401 18222 361 1 1 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.280 -0.530 18222 362 1 1 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.310 -0.260 18222 363 1 1 . 1 1 87 87 ASN H H 87 8.110 8.110 8.354 -0.244 18222 364 1 1 . 1 1 88 88 ASN N N 88 117.570 117.570 119.384 -1.814 18222 365 1 1 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.393 -0.113 18222 366 1 1 . 1 1 88 88 ASN CA C 88 55.190 55.190 56.134 -0.944 18222 367 1 1 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.428 -1.028 18222 368 1 1 . 1 1 88 88 ASN H H 88 8.280 8.280 8.246 0.034 18222 369 1 1 . 1 1 89 89 LEU N N 89 121.940 121.940 121.631 0.309 18222 370 1 1 . 1 1 89 89 LEU HA H 89 4.070 4.070 4.482 -0.412 18222 371 1 1 . 1 1 89 89 LEU CA C 89 57.580 57.580 59.024 -1.444 18222 372 1 1 . 1 1 89 89 LEU CB C 89 40.490 40.490 42.055 -1.565 18222 373 1 1 . 1 1 89 89 LEU H H 89 7.790 7.790 8.695 -0.905 18222 374 1 1 . 1 1 90 90 TRP N N 90 119.220 119.220 121.758 -2.538 18222 375 1 1 . 1 1 90 90 TRP CA C 90 59.120 59.120 61.313 -2.193 18222 376 1 1 . 1 1 90 90 TRP CB C 90 28.800 28.800 29.270 -0.470 18222 377 1 1 . 1 1 90 90 TRP H H 90 7.850 7.850 8.332 -0.483 18222 378 1 1 . 1 1 91 91 LEU N N 91 117.870 117.870 120.702 -2.832 18222 379 1 1 . 1 1 91 91 LEU CA C 91 57.300 57.300 58.147 -0.847 18222 380 1 1 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.748 -1.138 18222 381 1 1 . 1 1 91 91 LEU H H 91 7.920 7.920 8.303 -0.383 18222 382 1 1 . 1 1 92 92 PHE N N 92 121.280 121.280 118.504 2.776 18222 383 1 1 . 1 1 92 92 PHE CA C 92 60.390 60.390 62.157 -1.767 18222 384 1 1 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.492 -0.512 18222 385 1 1 . 1 1 92 92 PHE H H 92 7.860 7.860 7.987 -0.127 18222 386 1 1 . 1 1 93 93 LEU N N 93 119.860 119.860 119.244 0.616 18222 387 1 1 . 1 1 93 93 LEU CA C 93 56.860 56.860 58.005 -1.145 18222 388 1 1 . 1 1 93 93 LEU CB C 93 40.550 40.550 41.971 -1.421 18222 389 1 1 . 1 1 93 93 LEU H H 93 7.980 7.980 8.724 -0.744 18222 390 1 1 . 1 1 94 94 GLU N N 94 114.660 114.660 117.589 -2.929 18222 391 1 1 . 1 1 94 94 GLU HA H 94 3.810 3.810 4.095 -0.285 18222 392 1 1 . 1 1 94 94 GLU CA C 94 57.210 57.210 58.791 -1.581 18222 393 1 1 . 1 1 94 94 GLU CB C 94 28.470 28.470 29.672 -1.202 18222 394 1 1 . 1 1 94 94 GLU H H 94 7.890 7.890 7.938 -0.048 18222 395 1 1 . 1 1 95 95 THR N N 95 108.260 108.260 111.912 -3.652 18222 396 1 1 . 1 1 95 95 THR CA C 95 62.150 62.150 63.279 -1.129 18222 397 1 1 . 1 1 95 95 THR CB C 95 70.810 70.810 70.079 0.731 18222 398 1 1 . 1 1 95 95 THR H H 95 7.690 7.690 7.400 0.290 18222 399 1 1 . 1 1 96 96 GLY N N 96 112.220 112.220 110.533 1.687 18222 400 1 1 . 1 1 96 96 GLY CA C 96 45.410 45.410 44.789 0.621 18222 401 1 1 . 1 1 96 96 GLY H H 96 8.240 8.240 7.748 0.492 18222 402 1 1 . 1 1 97 97 GLN N N 97 117.950 117.950 119.379 -1.429 18222 403 1 1 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.114 0.086 18222 404 1 1 . 1 1 97 97 GLN CA C 97 54.430 54.430 56.818 -2.388 18222 405 1 1 . 1 1 97 97 GLN CB C 97 29.910 29.910 29.794 0.116 18222 406 1 1 . 1 1 97 97 GLN H H 97 7.640 7.640 8.232 -0.592 18222 407 1 1 . 1 1 98 98 LEU N N 98 123.810 123.810 121.768 2.042 18222 408 1 1 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.287 0.073 18222 409 1 1 . 1 1 98 98 LEU CA C 98 52.650 52.650 54.862 -2.212 18222 410 1 1 . 1 1 98 98 LEU CB C 98 40.460 40.460 41.359 -0.899 18222 411 1 1 . 1 1 98 98 LEU H H 98 8.270 8.270 8.553 -0.283 18222 412 1 1 . 1 1 99 99 PRO CA C 99 63.180 63.180 62.621 0.559 18222 413 1 1 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.597 -1.757 18222 414 1 1 . 1 1 100 100 LYS N N 100 120.630 120.630 118.969 1.661 18222 415 1 1 . 1 1 100 100 LYS CA C 100 55.730 55.730 56.000 -0.270 18222 416 1 1 . 1 1 100 100 LYS CB C 100 32.280 32.280 32.785 -0.505 18222 417 1 1 . 1 1 100 100 LYS H H 100 8.090 8.090 8.419 -0.329 18222 418 1 1 . 1 1 101 101 ASP N N 101 120.920 120.920 121.484 -0.564 18222 419 1 1 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.603 -0.413 18222 420 1 1 . 1 1 101 101 ASP CA C 101 54.000 54.000 55.185 -1.185 18222 421 1 1 . 1 1 101 101 ASP CB C 101 40.330 40.330 41.370 -1.040 18222 422 1 1 . 1 1 101 101 ASP H H 101 8.190 8.190 8.173 0.017 18222 423 1 1 . 1 1 102 102 ARG N N 102 122.210 122.210 119.594 2.616 18222 424 1 1 . 1 1 102 102 ARG CA C 102 55.590 55.590 55.558 0.032 18222 425 1 1 . 1 1 102 102 ARG CB C 102 29.630 29.630 32.236 -2.606 18222 426 1 1 . 1 1 102 102 ARG H H 102 8.130 8.130 8.403 -0.273 18222 427 1 1 . 1 1 103 103 SER N N 103 117.230 117.230 116.651 0.579 18222 428 1 1 . 1 1 103 103 SER HA H 103 4.280 4.280 4.905 -0.625 18222 429 1 1 . 1 1 103 103 SER CA C 103 58.470 58.470 57.860 0.610 18222 430 1 1 . 1 1 103 103 SER CB C 103 63.080 63.080 64.057 -0.977 18222 431 1 1 . 1 1 103 103 SER H H 103 8.290 8.290 8.573 -0.283 18222 432 1 1 . 1 1 104 104 THR N N 104 115.430 115.430 115.882 -0.452 18222 433 1 1 . 1 1 104 104 THR CA C 104 61.570 61.570 62.795 -1.225 18222 434 1 1 . 1 1 104 104 THR CB C 104 69.030 69.030 69.599 -0.569 18222 435 1 1 . 1 1 104 104 THR H H 104 8.020 8.020 8.519 -0.499 18222 436 1 1 . 1 1 105 105 ASP N N 105 122.780 122.780 120.232 2.548 18222 437 1 1 . 1 1 105 105 ASP CA C 105 54.210 54.210 55.875 -1.665 18222 438 1 1 . 1 1 105 105 ASP CB C 105 40.380 40.380 40.307 0.073 18222 439 1 1 . 1 1 105 105 ASP H H 105 8.120 8.120 8.569 -0.449 18222 440 1 1 . 1 1 106 106 GLN N N 106 120.960 120.960 117.789 3.171 18222 441 1 1 . 1 1 106 106 GLN CA C 106 55.420 55.420 56.921 -1.501 18222 442 1 1 . 1 1 106 106 GLN CB C 106 28.310 28.310 29.255 -0.945 18222 443 1 1 . 1 1 106 106 GLN H H 106 8.140 8.140 8.150 -0.010 18222 444 1 1 . 1 1 107 107 ARG N N 107 123.010 123.010 122.254 0.756 18222 445 1 1 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.620 -0.410 18222 446 1 1 . 1 1 107 107 ARG CA C 107 55.560 55.560 55.872 -0.312 18222 447 1 1 . 1 1 107 107 ARG CB C 107 29.920 29.920 32.050 -2.130 18222 448 1 1 . 1 1 107 107 ARG H H 107 8.180 8.180 8.602 -0.422 18222 449 1 2 . 1 1 2 2 VAL N N 2 121.590 121.590 123.330 -1.740 18222 450 1 2 . 1 1 2 2 VAL CA C 2 61.600 61.600 61.565 0.035 18222 451 1 2 . 1 1 2 2 VAL CB C 2 31.900 31.900 33.123 -1.223 18222 452 1 2 . 1 1 2 2 VAL H H 2 8.010 8.010 8.422 -0.412 18222 453 1 2 . 1 1 3 3 ASN N N 3 122.520 122.520 122.436 0.084 18222 454 1 2 . 1 1 3 3 ASN HA H 3 4.020 4.020 4.470 -0.450 18222 455 1 2 . 1 1 3 3 ASN CA C 3 52.640 52.640 53.725 -1.085 18222 456 1 2 . 1 1 3 3 ASN CB C 3 38.330 38.330 39.458 -1.128 18222 457 1 2 . 1 1 3 3 ASN H H 3 8.360 8.360 8.590 -0.230 18222 458 1 2 . 1 1 4 4 LEU N N 4 123.830 123.830 123.113 0.717 18222 459 1 2 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.511 -0.291 18222 460 1 2 . 1 1 4 4 LEU CA C 4 54.620 54.620 55.451 -0.831 18222 461 1 2 . 1 1 4 4 LEU CB C 4 41.680 41.680 42.642 -0.962 18222 462 1 2 . 1 1 4 4 LEU H H 4 8.220 8.220 8.208 0.012 18222 463 1 2 . 1 1 5 5 GLY N N 5 106.810 106.810 105.964 0.846 18222 464 1 2 . 1 1 5 5 GLY CA C 5 45.800 45.800 45.138 0.662 18222 465 1 2 . 1 1 5 5 GLY H H 5 8.030 8.030 7.879 0.151 18222 466 1 2 . 1 1 6 6 LEU N N 6 120.820 120.820 121.582 -0.762 18222 467 1 2 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.487 -0.437 18222 468 1 2 . 1 1 6 6 LEU CA C 6 55.990 55.990 54.617 1.373 18222 469 1 2 . 1 1 6 6 LEU CB C 6 40.800 40.800 41.821 -1.021 18222 470 1 2 . 1 1 6 6 LEU H H 6 8.030 8.030 8.151 -0.121 18222 471 1 2 . 1 1 7 7 SER N N 7 115.540 115.540 116.213 -0.673 18222 472 1 2 . 1 1 7 7 SER HA H 7 4.100 4.100 4.233 -0.133 18222 473 1 2 . 1 1 7 7 SER CA C 7 60.580 60.580 61.836 -1.256 18222 474 1 2 . 1 1 7 7 SER CB C 7 62.060 62.060 62.791 -0.731 18222 475 1 2 . 1 1 7 7 SER H H 7 8.360 8.360 8.492 -0.132 18222 476 1 2 . 1 1 8 8 ARG N N 8 120.690 120.690 119.839 0.851 18222 477 1 2 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.069 0.091 18222 478 1 2 . 1 1 8 8 ARG CA C 8 57.350 57.350 59.156 -1.806 18222 479 1 2 . 1 1 8 8 ARG CB C 8 29.230 29.230 29.425 -0.195 18222 480 1 2 . 1 1 8 8 ARG H H 8 7.830 7.830 7.556 0.274 18222 481 1 2 . 1 1 9 9 VAL N N 9 119.330 119.330 119.734 -0.404 18222 482 1 2 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.888 0.282 18222 483 1 2 . 1 1 9 9 VAL CA C 9 64.720 64.720 65.495 -0.775 18222 484 1 2 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.444 -0.544 18222 485 1 2 . 1 1 9 9 VAL H H 9 7.620 7.620 7.819 -0.199 18222 486 1 2 . 1 1 10 10 ASP N N 10 119.520 119.520 120.832 -1.312 18222 487 1 2 . 1 1 10 10 ASP CA C 10 54.960 54.960 57.898 -2.938 18222 488 1 2 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.807 -3.007 18222 489 1 2 . 1 1 10 10 ASP H H 10 8.180 8.180 8.165 0.015 18222 490 1 2 . 1 1 11 11 ASP N N 11 121.550 121.550 119.949 1.601 18222 491 1 2 . 1 1 11 11 ASP CA C 11 54.440 54.440 56.507 -2.067 18222 492 1 2 . 1 1 11 11 ASP CB C 11 37.840 37.840 40.872 -3.032 18222 493 1 2 . 1 1 11 11 ASP H H 11 7.950 7.950 8.193 -0.243 18222 494 1 2 . 1 1 12 12 ALA N N 12 120.220 120.220 122.941 -2.721 18222 495 1 2 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.125 -0.755 18222 496 1 2 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.575 6.155 18222 497 1 2 . 1 1 12 12 ALA H H 12 8.090 8.090 7.947 0.143 18222 498 1 2 . 1 1 13 13 VAL N N 13 116.910 116.910 118.459 -1.549 18222 499 1 2 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.788 0.352 18222 500 1 2 . 1 1 13 13 VAL CA C 13 64.900 64.900 64.710 0.190 18222 501 1 2 . 1 1 13 13 VAL CB C 13 31.000 31.000 31.308 -0.308 18222 502 1 2 . 1 1 13 13 VAL H H 13 7.980 7.980 8.174 -0.194 18222 503 1 2 . 1 1 14 14 ALA N N 14 122.200 122.200 122.219 -0.019 18222 504 1 2 . 1 1 14 14 ALA HA H 14 4.020 4.020 4.104 -0.084 18222 505 1 2 . 1 1 14 14 ALA CA C 14 53.800 53.800 54.897 -1.097 18222 506 1 2 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.263 -0.473 18222 507 1 2 . 1 1 14 14 ALA H H 14 8.030 8.030 8.000 0.030 18222 508 1 2 . 1 1 15 15 ALA N N 15 118.600 118.600 118.779 -0.179 18222 509 1 2 . 1 1 15 15 ALA CA C 15 53.230 53.230 53.733 -0.503 18222 510 1 2 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.711 -0.701 18222 511 1 2 . 1 1 15 15 ALA H H 15 7.530 7.530 7.713 -0.183 18222 512 1 2 . 1 1 16 16 LYS N N 16 115.820 115.820 117.825 -2.005 18222 513 1 2 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.111 -0.031 18222 514 1 2 . 1 1 16 16 LYS CA C 16 55.670 55.670 56.945 -1.275 18222 515 1 2 . 1 1 16 16 LYS CB C 16 32.640 32.640 32.731 -0.091 18222 516 1 2 . 1 1 16 16 LYS H H 16 7.490 7.490 7.314 0.176 18222 517 1 2 . 1 1 17 17 HIS N N 17 116.790 116.790 118.908 -2.118 18222 518 1 2 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.842 -0.742 18222 519 1 2 . 1 1 17 17 HIS CA C 17 52.820 52.820 53.405 -0.585 18222 520 1 2 . 1 1 17 17 HIS CB C 17 28.400 28.400 30.978 -2.578 18222 521 1 2 . 1 1 17 17 HIS H H 17 8.130 8.130 7.319 0.811 18222 522 1 2 . 1 1 18 18 PRO CA C 18 63.800 63.800 64.023 -0.223 18222 523 1 2 . 1 1 18 18 PRO CB C 18 30.800 30.800 32.560 -1.760 18222 524 1 2 . 1 1 19 19 GLY N N 19 110.260 110.260 105.716 4.544 18222 525 1 2 . 1 1 19 19 GLY CA C 19 45.490 45.490 45.197 0.293 18222 526 1 2 . 1 1 19 19 GLY H H 19 8.730 8.730 8.118 0.612 18222 527 1 2 . 1 1 20 20 LEU N N 20 122.650 122.650 121.963 0.687 18222 528 1 2 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.345 -0.255 18222 529 1 2 . 1 1 20 20 LEU CA C 20 57.060 57.060 57.343 -0.283 18222 530 1 2 . 1 1 20 20 LEU H H 20 7.980 7.980 8.394 -0.414 18222 531 1 2 . 1 1 21 21 GLY N N 21 107.000 107.000 108.937 -1.937 18222 532 1 2 . 1 1 21 21 GLY CA C 21 46.710 46.710 46.780 -0.070 18222 533 1 2 . 1 1 21 21 GLY H H 21 8.570 8.570 8.282 0.288 18222 534 1 2 . 1 1 22 22 GLU N N 22 121.610 121.610 122.588 -0.978 18222 535 1 2 . 1 1 22 22 GLU HA H 22 3.990 3.990 3.529 0.461 18222 536 1 2 . 1 1 22 22 GLU CA C 22 58.280 58.280 58.938 -0.658 18222 537 1 2 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.283 -1.273 18222 538 1 2 . 1 1 22 22 GLU H H 22 8.100 8.100 7.648 0.452 18222 539 1 2 . 1 1 23 23 TYR N N 23 120.870 120.870 120.474 0.396 18222 540 1 2 . 1 1 23 23 TYR CA C 23 60.380 60.380 61.460 -1.080 18222 541 1 2 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.449 -0.699 18222 542 1 2 . 1 1 23 23 TYR H H 23 7.910 7.910 7.636 0.274 18222 543 1 2 . 1 1 24 24 ALA N N 24 121.420 121.420 121.272 0.148 18222 544 1 2 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.770 0.370 18222 545 1 2 . 1 1 24 24 ALA CA C 24 54.260 54.260 54.945 -0.685 18222 546 1 2 . 1 1 24 24 ALA H H 24 8.410 8.410 8.479 -0.069 18222 547 1 2 . 1 1 25 25 ALA N N 25 120.220 120.220 121.284 -1.064 18222 548 1 2 . 1 1 25 25 ALA CA C 25 54.370 54.370 54.444 -0.074 18222 549 1 2 . 1 1 25 25 ALA H H 25 8.090 8.090 8.128 -0.038 18222 550 1 2 . 1 1 26 26 CYS N N 26 116.760 116.760 117.477 -0.717 18222 551 1 2 . 1 1 26 26 CYS CA C 26 61.180 61.180 62.450 -1.270 18222 552 1 2 . 1 1 26 26 CYS CB C 26 26.390 26.390 26.572 -0.182 18222 553 1 2 . 1 1 26 26 CYS H H 26 7.950 7.950 7.876 0.074 18222 554 1 2 . 1 1 27 27 GLN N N 27 118.690 118.690 120.787 -2.097 18222 555 1 2 . 1 1 27 27 GLN CA C 27 55.970 55.970 58.956 -2.986 18222 556 1 2 . 1 1 27 27 GLN H H 27 8.060 8.060 8.208 -0.148 18222 557 1 2 . 1 1 28 28 SER N N 28 115.490 115.490 115.220 0.270 18222 558 1 2 . 1 1 28 28 SER HA H 28 3.990 3.990 4.269 -0.279 18222 559 1 2 . 1 1 28 28 SER CA C 28 61.110 61.110 61.625 -0.515 18222 560 1 2 . 1 1 28 28 SER H H 28 7.980 7.980 8.063 -0.083 18222 561 1 2 . 1 1 29 29 HIS N N 29 120.880 120.880 122.982 -2.102 18222 562 1 2 . 1 1 29 29 HIS CA C 29 58.190 58.190 60.129 -1.939 18222 563 1 2 . 1 1 29 29 HIS CB C 29 27.460 27.460 30.108 -2.648 18222 564 1 2 . 1 1 29 29 HIS H H 29 8.180 8.180 8.286 -0.106 18222 565 1 2 . 1 1 30 30 ALA N N 30 122.920 122.920 122.303 0.617 18222 566 1 2 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.167 -0.607 18222 567 1 2 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.065 -0.575 18222 568 1 2 . 1 1 30 30 ALA H H 30 8.040 8.040 8.043 -0.003 18222 569 1 2 . 1 1 31 31 PHE N N 31 119.340 119.340 118.986 0.354 18222 570 1 2 . 1 1 31 31 PHE CA C 31 60.370 60.370 61.599 -1.228 18222 571 1 2 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.310 -0.790 18222 572 1 2 . 1 1 31 31 PHE H H 31 8.230 8.230 8.344 -0.114 18222 573 1 2 . 1 1 32 32 MET N N 32 118.110 118.110 120.006 -1.896 18222 574 1 2 . 1 1 32 32 MET HA H 32 4.050 4.050 3.952 0.098 18222 575 1 2 . 1 1 32 32 MET CA C 32 58.280 58.280 59.547 -1.267 18222 576 1 2 . 1 1 32 32 MET CB C 32 31.090 31.090 32.143 -1.053 18222 577 1 2 . 1 1 32 32 MET H H 32 8.120 8.120 8.589 -0.469 18222 578 1 2 . 1 1 33 33 LYS N N 33 119.040 119.040 119.145 -0.105 18222 579 1 2 . 1 1 33 33 LYS HA H 33 3.930 3.930 3.901 0.029 18222 580 1 2 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.672 -0.632 18222 581 1 2 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.379 -1.389 18222 582 1 2 . 1 1 33 33 LYS H H 33 7.970 7.970 8.319 -0.349 18222 583 1 2 . 1 1 34 34 GLY N N 34 108.840 108.840 108.100 0.740 18222 584 1 2 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.249 -0.639 18222 585 1 2 . 1 1 34 34 GLY H H 34 8.030 8.030 8.235 -0.205 18222 586 1 2 . 1 1 35 35 VAL N N 35 122.910 122.910 122.201 0.709 18222 587 1 2 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.893 0.327 18222 588 1 2 . 1 1 35 35 VAL CA C 35 66.310 66.310 65.303 1.007 18222 589 1 2 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.501 -0.941 18222 590 1 2 . 1 1 35 35 VAL H H 35 8.090 8.090 8.614 -0.524 18222 591 1 2 . 1 1 36 36 PHE N N 36 120.020 120.020 119.437 0.583 18222 592 1 2 . 1 1 36 36 PHE CA C 36 61.350 61.350 61.447 -0.097 18222 593 1 2 . 1 1 36 36 PHE CB C 36 38.090 38.090 38.301 -0.211 18222 594 1 2 . 1 1 36 36 PHE H H 36 8.350 8.350 8.454 -0.104 18222 595 1 2 . 1 1 37 37 THR N N 37 116.980 116.980 113.702 3.278 18222 596 1 2 . 1 1 37 37 THR HA H 37 4.050 4.050 3.970 0.080 18222 597 1 2 . 1 1 37 37 THR CA C 37 66.000 66.000 66.125 -0.125 18222 598 1 2 . 1 1 37 37 THR CB C 37 68.270 68.270 68.888 -0.618 18222 599 1 2 . 1 1 37 37 THR H H 37 8.520 8.520 8.387 0.133 18222 600 1 2 . 1 1 38 38 PHE N N 38 123.090 123.090 121.856 1.234 18222 601 1 2 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.313 0.047 18222 602 1 2 . 1 1 38 38 PHE CA C 38 61.140 61.140 61.598 -0.458 18222 603 1 2 . 1 1 38 38 PHE CB C 38 41.200 41.200 39.536 1.664 18222 604 1 2 . 1 1 38 38 PHE H H 38 8.010 8.010 8.137 -0.127 18222 605 1 2 . 1 1 39 39 VAL N N 39 117.280 117.280 119.988 -2.708 18222 606 1 2 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.786 0.424 18222 607 1 2 . 1 1 39 39 VAL CA C 39 66.000 66.000 66.130 -0.130 18222 608 1 2 . 1 1 39 39 VAL CB C 39 30.860 30.860 31.836 -0.976 18222 609 1 2 . 1 1 39 39 VAL H H 39 8.530 8.530 8.803 -0.273 18222 610 1 2 . 1 1 40 40 THR N N 40 109.470 109.470 115.963 -6.493 18222 611 1 2 . 1 1 40 40 THR HA H 40 4.060 4.060 4.146 -0.086 18222 612 1 2 . 1 1 40 40 THR CA C 40 63.390 63.390 65.998 -2.608 18222 613 1 2 . 1 1 40 40 THR CB C 40 68.650 68.650 68.375 0.275 18222 614 1 2 . 1 1 40 40 THR H H 40 7.700 7.700 8.117 -0.417 18222 615 1 2 . 1 1 41 41 GLY N N 41 110.770 110.770 107.119 3.651 18222 616 1 2 . 1 1 41 41 GLY CA C 41 45.580 45.580 45.350 0.230 18222 617 1 2 . 1 1 41 41 GLY H H 41 7.700 7.700 7.426 0.274 18222 618 1 2 . 1 1 42 42 THR N N 42 114.520 114.520 116.485 -1.965 18222 619 1 2 . 1 1 42 42 THR CA C 42 63.300 63.300 60.734 2.566 18222 620 1 2 . 1 1 42 42 THR CB C 42 69.490 69.490 68.305 1.185 18222 621 1 2 . 1 1 42 42 THR H H 42 7.720 7.720 7.678 0.042 18222 622 1 2 . 1 1 43 43 GLY N N 43 109.540 109.540 110.139 -0.599 18222 623 1 2 . 1 1 43 43 GLY CA C 43 46.250 46.250 47.166 -0.916 18222 624 1 2 . 1 1 43 43 GLY H H 43 8.110 8.110 8.057 0.053 18222 625 1 2 . 1 1 44 44 MET N N 44 120.240 120.240 120.873 -0.633 18222 626 1 2 . 1 1 44 44 MET HA H 44 4.100 4.100 4.052 0.048 18222 627 1 2 . 1 1 44 44 MET CA C 44 57.700 57.700 58.901 -1.201 18222 628 1 2 . 1 1 44 44 MET CB C 44 32.030 32.030 32.392 -0.362 18222 629 1 2 . 1 1 44 44 MET H H 44 7.730 7.730 7.948 -0.218 18222 630 1 2 . 1 1 45 45 ALA N N 45 121.560 121.560 122.324 -0.764 18222 631 1 2 . 1 1 45 45 ALA CA C 45 54.440 54.440 55.495 -1.055 18222 632 1 2 . 1 1 45 45 ALA CB C 45 17.400 17.400 17.935 -0.535 18222 633 1 2 . 1 1 45 45 ALA H H 45 7.950 7.950 7.873 0.076 18222 634 1 2 . 1 1 46 46 PHE N N 46 118.260 118.260 118.794 -0.534 18222 635 1 2 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.167 -0.237 18222 636 1 2 . 1 1 46 46 PHE CA C 46 59.820 59.820 61.193 -1.373 18222 637 1 2 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.704 -0.444 18222 638 1 2 . 1 1 46 46 PHE H H 46 7.860 7.860 7.660 0.200 18222 639 1 2 . 1 1 47 47 GLY N N 47 107.300 107.300 108.319 -1.019 18222 640 1 2 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.310 -0.750 18222 641 1 2 . 1 1 47 47 GLY H H 47 8.200 8.200 8.484 -0.284 18222 642 1 2 . 1 1 48 48 LEU N N 48 121.920 121.920 122.935 -1.015 18222 643 1 2 . 1 1 48 48 LEU HA H 48 4.040 4.040 4.007 0.033 18222 644 1 2 . 1 1 48 48 LEU CA C 48 57.580 57.580 58.324 -0.744 18222 645 1 2 . 1 1 48 48 LEU CB C 48 40.790 40.790 41.989 -1.199 18222 646 1 2 . 1 1 48 48 LEU H H 48 8.180 8.180 8.324 -0.144 18222 647 1 2 . 1 1 49 49 GLN N N 49 118.270 118.270 117.911 0.359 18222 648 1 2 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.952 -0.122 18222 649 1 2 . 1 1 49 49 GLN CA C 49 58.880 58.880 59.343 -0.463 18222 650 1 2 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.478 -1.238 18222 651 1 2 . 1 1 49 49 GLN H H 49 8.080 8.080 8.236 -0.156 18222 652 1 2 . 1 1 50 50 MET N N 50 117.630 117.630 119.397 -1.767 18222 653 1 2 . 1 1 50 50 MET HA H 50 4.010 4.010 4.205 -0.195 18222 654 1 2 . 1 1 50 50 MET CA C 50 57.730 57.730 59.629 -1.899 18222 655 1 2 . 1 1 50 50 MET CB C 50 27.160 27.160 32.654 -5.494 18222 656 1 2 . 1 1 50 50 MET H H 50 7.880 7.880 8.461 -0.581 18222 657 1 2 . 1 1 51 51 PHE N N 51 119.550 119.550 120.452 -0.902 18222 658 1 2 . 1 1 51 51 PHE CA C 51 60.850 60.850 62.010 -1.160 18222 659 1 2 . 1 1 51 51 PHE CB C 51 38.720 38.720 39.281 -0.561 18222 660 1 2 . 1 1 51 51 PHE H H 51 7.890 7.890 8.234 -0.344 18222 661 1 2 . 1 1 52 52 ILE N N 52 117.950 117.950 117.730 0.220 18222 662 1 2 . 1 1 52 52 ILE HA H 52 4.050 4.050 3.950 0.100 18222 663 1 2 . 1 1 52 52 ILE CA C 52 63.560 63.560 63.895 -0.335 18222 664 1 2 . 1 1 52 52 ILE CB C 52 36.810 36.810 38.517 -1.707 18222 665 1 2 . 1 1 52 52 ILE H H 52 8.110 8.110 8.237 -0.127 18222 666 1 2 . 1 1 53 53 GLN N N 53 117.360 117.360 120.164 -2.804 18222 667 1 2 . 1 1 53 53 GLN CA C 53 57.200 57.200 59.421 -2.221 18222 668 1 2 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.504 -0.634 18222 669 1 2 . 1 1 53 53 GLN H H 53 7.930 7.930 8.655 -0.725 18222 670 1 2 . 1 1 54 54 ARG N N 54 116.840 116.840 117.476 -0.636 18222 671 1 2 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.157 -0.207 18222 672 1 2 . 1 1 54 54 ARG CA C 54 56.480 56.480 58.309 -1.829 18222 673 1 2 . 1 1 54 54 ARG CB C 54 28.970 28.970 30.156 -1.186 18222 674 1 2 . 1 1 54 54 ARG H H 54 7.540 7.540 7.847 -0.307 18222 675 1 2 . 1 1 55 55 LYS N N 55 117.900 117.900 117.482 0.418 18222 676 1 2 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.275 -0.195 18222 677 1 2 . 1 1 55 55 LYS CA C 55 55.030 55.030 56.973 -1.943 18222 678 1 2 . 1 1 55 55 LYS CB C 55 32.010 32.010 33.451 -1.441 18222 679 1 2 . 1 1 55 55 LYS H H 55 7.660 7.660 7.700 -0.040 18222 680 1 2 . 1 1 56 56 PHE N N 56 121.060 121.060 120.373 0.687 18222 681 1 2 . 1 1 56 56 PHE CA C 56 55.190 55.190 55.164 0.026 18222 682 1 2 . 1 1 56 56 PHE CB C 56 38.970 38.970 40.058 -1.088 18222 683 1 2 . 1 1 56 56 PHE H H 56 8.080 8.080 8.087 -0.007 18222 684 1 2 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.675 -1.285 18222 685 1 2 . 1 1 57 57 PRO CB C 57 30.580 30.580 31.878 -1.298 18222 686 1 2 . 1 1 58 58 TYR N N 58 120.240 120.240 120.152 0.088 18222 687 1 2 . 1 1 58 58 TYR CA C 58 55.770 55.770 55.035 0.735 18222 688 1 2 . 1 1 58 58 TYR CB C 58 40.220 40.220 39.341 0.879 18222 689 1 2 . 1 1 58 58 TYR H H 58 7.700 7.700 7.989 -0.289 18222 690 1 2 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.948 -1.818 18222 691 1 2 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.345 0.995 18222 692 1 2 . 1 1 60 60 LEU N N 60 122.210 122.210 119.979 2.231 18222 693 1 2 . 1 1 60 60 LEU CA C 60 54.250 54.250 53.766 0.484 18222 694 1 2 . 1 1 60 60 LEU CB C 60 41.470 41.470 43.755 -2.285 18222 695 1 2 . 1 1 60 60 LEU H H 60 7.880 7.880 7.737 0.143 18222 696 1 2 . 1 1 61 61 GLN N N 61 122.470 122.470 122.470 0.000 18222 697 1 2 . 1 1 61 61 GLN CA C 61 54.170 54.170 55.430 -1.260 18222 698 1 2 . 1 1 61 61 GLN H H 61 7.970 7.970 8.458 -0.488 18222 699 1 2 . 1 1 62 62 TRP N N 62 124.590 124.590 124.910 -0.320 18222 700 1 2 . 1 1 62 62 TRP CA C 62 59.830 59.830 60.098 -0.268 18222 701 1 2 . 1 1 62 62 TRP CB C 62 28.800 28.800 29.492 -0.692 18222 702 1 2 . 1 1 62 62 TRP H H 62 8.240 8.240 8.689 -0.449 18222 703 1 2 . 1 1 63 63 SER N N 63 113.320 113.320 114.863 -1.543 18222 704 1 2 . 1 1 63 63 SER CA C 63 61.100 61.100 61.722 -0.622 18222 705 1 2 . 1 1 63 63 SER H H 63 8.410 8.410 8.128 0.282 18222 706 1 2 . 1 1 64 64 LEU N N 64 123.230 123.230 122.528 0.702 18222 707 1 2 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.680 -0.800 18222 708 1 2 . 1 1 64 64 LEU CB C 64 40.830 40.830 42.163 -1.333 18222 709 1 2 . 1 1 64 64 LEU H H 64 7.230 7.230 7.851 -0.621 18222 710 1 2 . 1 1 65 65 LEU N N 65 119.400 119.400 119.940 -0.540 18222 711 1 2 . 1 1 65 65 LEU HA H 65 3.890 3.890 4.033 -0.143 18222 712 1 2 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.371 -0.791 18222 713 1 2 . 1 1 65 65 LEU CB C 65 40.710 40.710 41.942 -1.232 18222 714 1 2 . 1 1 65 65 LEU H H 65 7.510 7.510 8.693 -1.183 18222 715 1 2 . 1 1 66 66 VAL N N 66 116.950 116.950 118.932 -1.982 18222 716 1 2 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.488 0.472 18222 717 1 2 . 1 1 66 66 VAL CA C 66 66.260 66.260 66.285 -0.025 18222 718 1 2 . 1 1 66 66 VAL CB C 66 30.570 30.570 30.766 -0.196 18222 719 1 2 . 1 1 66 66 VAL H H 66 7.950 7.950 8.096 -0.146 18222 720 1 2 . 1 1 67 67 ALA N N 67 120.650 120.650 122.730 -2.080 18222 721 1 2 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.028 -0.028 18222 722 1 2 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.191 -0.411 18222 723 1 2 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.227 -0.787 18222 724 1 2 . 1 1 67 67 ALA H H 67 7.450 7.450 7.906 -0.456 18222 725 1 2 . 1 1 68 68 VAL N N 68 118.440 118.440 118.502 -0.062 18222 726 1 2 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.538 0.212 18222 727 1 2 . 1 1 68 68 VAL CA C 68 65.250 65.250 66.651 -1.401 18222 728 1 2 . 1 1 68 68 VAL CB C 68 30.850 30.850 32.043 -1.193 18222 729 1 2 . 1 1 68 68 VAL H H 68 7.960 7.960 7.755 0.205 18222 730 1 2 . 1 1 69 69 VAL N N 69 120.800 120.800 119.926 0.874 18222 731 1 2 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.531 0.689 18222 732 1 2 . 1 1 69 69 VAL CA C 69 66.020 66.020 67.038 -1.018 18222 733 1 2 . 1 1 69 69 VAL CB C 69 30.850 30.850 31.342 -0.492 18222 734 1 2 . 1 1 69 69 VAL H H 69 8.080 8.080 8.435 -0.355 18222 735 1 2 . 1 1 70 70 ALA N N 70 121.740 121.740 120.751 0.989 18222 736 1 2 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.123 -0.203 18222 737 1 2 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.316 -0.396 18222 738 1 2 . 1 1 70 70 ALA CB C 70 17.620 17.620 18.019 -0.399 18222 739 1 2 . 1 1 70 70 ALA H H 70 8.660 8.660 8.496 0.164 18222 740 1 2 . 1 1 71 71 GLY N N 71 103.450 103.450 106.730 -3.280 18222 741 1 2 . 1 1 71 71 GLY CA C 71 46.300 46.300 46.947 -0.646 18222 742 1 2 . 1 1 71 71 GLY H H 71 8.010 8.010 8.062 -0.052 18222 743 1 2 . 1 1 72 72 SER N N 72 118.160 118.160 118.468 -0.308 18222 744 1 2 . 1 1 72 72 SER CA C 72 61.260 61.260 62.545 -1.285 18222 745 1 2 . 1 1 72 72 SER CB C 72 62.870 62.870 63.220 -0.350 18222 746 1 2 . 1 1 72 72 SER H H 72 7.870 7.870 7.975 -0.105 18222 747 1 2 . 1 1 73 73 VAL N N 73 121.340 121.340 122.422 -1.082 18222 748 1 2 . 1 1 73 73 VAL CA C 73 65.750 65.750 67.057 -1.307 18222 749 1 2 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.835 -1.095 18222 750 1 2 . 1 1 73 73 VAL H H 73 8.050 8.050 8.193 -0.143 18222 751 1 2 . 1 1 74 74 VAL N N 74 118.680 118.680 119.283 -0.603 18222 752 1 2 . 1 1 74 74 VAL CA C 74 65.770 65.770 66.604 -0.834 18222 753 1 2 . 1 1 74 74 VAL CB C 74 30.740 30.740 31.306 -0.567 18222 754 1 2 . 1 1 74 74 VAL H H 74 7.880 7.880 8.578 -0.698 18222 755 1 2 . 1 1 75 75 SER N N 75 114.750 114.750 116.623 -1.873 18222 756 1 2 . 1 1 75 75 SER HA H 75 4.100 4.100 4.230 -0.130 18222 757 1 2 . 1 1 75 75 SER CA C 75 60.870 60.870 62.441 -1.571 18222 758 1 2 . 1 1 75 75 SER CB C 75 62.340 62.340 63.175 -0.835 18222 759 1 2 . 1 1 75 75 SER H H 75 7.870 7.870 7.986 -0.116 18222 760 1 2 . 1 1 76 76 TYR N N 76 121.110 121.110 121.864 -0.754 18222 761 1 2 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.838 -1.788 18222 762 1 2 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.422 -0.442 18222 763 1 2 . 1 1 76 76 TYR H H 76 7.860 7.860 8.796 -0.936 18222 764 1 2 . 1 1 77 77 GLY N N 77 107.300 107.300 106.893 0.407 18222 765 1 2 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.288 -0.728 18222 766 1 2 . 1 1 77 77 GLY H H 77 8.200 8.200 8.417 -0.217 18222 767 1 2 . 1 1 78 78 VAL N N 78 119.470 119.470 121.824 -2.354 18222 768 1 2 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.663 0.507 18222 769 1 2 . 1 1 78 78 VAL CA C 78 64.650 64.650 66.559 -1.909 18222 770 1 2 . 1 1 78 78 VAL H H 78 8.140 8.140 8.602 -0.462 18222 771 1 2 . 1 1 79 79 THR N N 79 112.100 112.100 116.575 -4.475 18222 772 1 2 . 1 1 79 79 THR CA C 79 63.460 63.460 65.524 -2.064 18222 773 1 2 . 1 1 79 79 THR CB C 79 68.650 68.650 68.299 0.351 18222 774 1 2 . 1 1 79 79 THR H H 79 7.640 7.640 8.108 -0.468 18222 775 1 2 . 1 1 80 80 ARG N N 80 120.770 120.770 122.171 -1.401 18222 776 1 2 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.213 -0.053 18222 777 1 2 . 1 1 80 80 ARG CA C 80 56.790 56.790 58.714 -1.924 18222 778 1 2 . 1 1 80 80 ARG CB C 80 29.430 29.430 29.797 -0.367 18222 779 1 2 . 1 1 80 80 ARG H H 80 7.680 7.680 8.096 -0.416 18222 780 1 2 . 1 1 81 81 VAL N N 81 118.370 118.370 120.333 -1.963 18222 781 1 2 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.881 0.039 18222 782 1 2 . 1 1 81 81 VAL CA C 81 63.340 63.340 66.186 -2.846 18222 783 1 2 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.719 -0.459 18222 784 1 2 . 1 1 81 81 VAL H H 81 7.730 7.730 8.297 -0.567 18222 785 1 2 . 1 1 82 82 GLU N N 82 120.620 120.620 120.324 0.296 18222 786 1 2 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.737 -3.417 18222 787 1 2 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.487 -1.557 18222 788 1 2 . 1 1 82 82 GLU H H 82 7.920 7.920 8.507 -0.587 18222 789 1 2 . 1 1 83 83 SER N N 83 116.240 116.240 116.366 -0.126 18222 790 1 2 . 1 1 83 83 SER CA C 83 59.250 59.250 61.645 -2.395 18222 791 1 2 . 1 1 83 83 SER CB C 83 63.160 63.160 63.167 -0.007 18222 792 1 2 . 1 1 83 83 SER H H 83 7.960 7.960 8.265 -0.305 18222 793 1 2 . 1 1 84 84 GLU N N 84 123.280 123.280 121.276 2.004 18222 794 1 2 . 1 1 84 84 GLU HA H 84 4.080 4.080 4.007 0.073 18222 795 1 2 . 1 1 84 84 GLU CA C 84 57.860 57.860 59.493 -1.633 18222 796 1 2 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.795 -1.605 18222 797 1 2 . 1 1 84 84 GLU H H 84 8.470 8.470 7.955 0.515 18222 798 1 2 . 1 1 85 85 LYS N N 85 118.650 118.650 118.741 -0.091 18222 799 1 2 . 1 1 85 85 LYS HA H 85 4.100 4.100 4.079 0.021 18222 800 1 2 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.138 -1.358 18222 801 1 2 . 1 1 85 85 LYS CB C 85 31.380 31.380 31.933 -0.553 18222 802 1 2 . 1 1 85 85 LYS H H 85 7.940 7.940 8.017 -0.077 18222 803 1 2 . 1 1 86 86 CYS N N 86 117.070 117.070 119.121 -2.051 18222 804 1 2 . 1 1 86 86 CYS CA C 86 60.910 60.910 62.676 -1.766 18222 805 1 2 . 1 1 86 86 CYS CB C 86 26.740 26.740 25.735 1.005 18222 806 1 2 . 1 1 86 86 CYS H H 86 7.840 7.840 7.914 -0.074 18222 807 1 2 . 1 1 87 87 ASN N N 87 119.370 119.370 118.902 0.468 18222 808 1 2 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.477 -0.347 18222 809 1 2 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.245 -0.495 18222 810 1 2 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.182 -0.133 18222 811 1 2 . 1 1 87 87 ASN H H 87 8.110 8.110 8.169 -0.059 18222 812 1 2 . 1 1 88 88 ASN N N 88 117.570 117.570 119.270 -1.700 18222 813 1 2 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.357 -0.077 18222 814 1 2 . 1 1 88 88 ASN CA C 88 55.190 55.190 55.779 -0.589 18222 815 1 2 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.443 -1.043 18222 816 1 2 . 1 1 88 88 ASN H H 88 8.280 8.280 8.161 0.119 18222 817 1 2 . 1 1 89 89 LEU N N 89 121.940 121.940 122.259 -0.319 18222 818 1 2 . 1 1 89 89 LEU HA H 89 4.070 4.070 4.172 -0.102 18222 819 1 2 . 1 1 89 89 LEU CA C 89 57.580 57.580 58.597 -1.017 18222 820 1 2 . 1 1 89 89 LEU CB C 89 40.490 40.490 42.011 -1.521 18222 821 1 2 . 1 1 89 89 LEU H H 89 7.790 7.790 8.203 -0.413 18222 822 1 2 . 1 1 90 90 TRP N N 90 119.220 119.220 118.652 0.568 18222 823 1 2 . 1 1 90 90 TRP CA C 90 59.120 59.120 59.993 -0.873 18222 824 1 2 . 1 1 90 90 TRP CB C 90 28.800 28.800 28.462 0.338 18222 825 1 2 . 1 1 90 90 TRP H H 90 7.850 7.850 8.055 -0.205 18222 826 1 2 . 1 1 91 91 LEU N N 91 117.870 117.870 120.395 -2.525 18222 827 1 2 . 1 1 91 91 LEU CA C 91 57.300 57.300 58.513 -1.213 18222 828 1 2 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.559 -0.949 18222 829 1 2 . 1 1 91 91 LEU H H 91 7.920 7.920 8.455 -0.535 18222 830 1 2 . 1 1 92 92 PHE N N 92 121.280 121.280 117.028 4.252 18222 831 1 2 . 1 1 92 92 PHE CA C 92 60.390 60.390 61.229 -0.839 18222 832 1 2 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.447 -0.466 18222 833 1 2 . 1 1 92 92 PHE H H 92 7.860 7.860 8.113 -0.253 18222 834 1 2 . 1 1 93 93 LEU N N 93 119.860 119.860 121.629 -1.769 18222 835 1 2 . 1 1 93 93 LEU CA C 93 56.860 56.860 58.065 -1.205 18222 836 1 2 . 1 1 93 93 LEU CB C 93 40.550 40.550 42.042 -1.492 18222 837 1 2 . 1 1 93 93 LEU H H 93 7.980 7.980 8.684 -0.704 18222 838 1 2 . 1 1 94 94 GLU N N 94 114.660 114.660 119.111 -4.451 18222 839 1 2 . 1 1 94 94 GLU HA H 94 3.810 3.810 4.215 -0.405 18222 840 1 2 . 1 1 94 94 GLU CA C 94 57.210 57.210 58.916 -1.706 18222 841 1 2 . 1 1 94 94 GLU CB C 94 28.470 28.470 29.174 -0.704 18222 842 1 2 . 1 1 94 94 GLU H H 94 7.890 7.890 8.443 -0.553 18222 843 1 2 . 1 1 95 95 THR N N 95 108.260 108.260 112.759 -4.499 18222 844 1 2 . 1 1 95 95 THR CA C 95 62.150 62.150 62.713 -0.563 18222 845 1 2 . 1 1 95 95 THR CB C 95 70.810 70.810 68.778 2.032 18222 846 1 2 . 1 1 95 95 THR H H 95 7.690 7.690 7.372 0.318 18222 847 1 2 . 1 1 96 96 GLY N N 96 112.220 112.220 109.893 2.327 18222 848 1 2 . 1 1 96 96 GLY CA C 96 45.410 45.410 44.959 0.451 18222 849 1 2 . 1 1 96 96 GLY H H 96 8.240 8.240 7.608 0.632 18222 850 1 2 . 1 1 97 97 GLN N N 97 117.950 117.950 120.136 -2.186 18222 851 1 2 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.312 -0.112 18222 852 1 2 . 1 1 97 97 GLN CA C 97 54.430 54.430 56.362 -1.932 18222 853 1 2 . 1 1 97 97 GLN CB C 97 29.910 29.910 30.193 -0.283 18222 854 1 2 . 1 1 97 97 GLN H H 97 7.640 7.640 8.372 -0.732 18222 855 1 2 . 1 1 98 98 LEU N N 98 123.810 123.810 121.823 1.987 18222 856 1 2 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.317 0.043 18222 857 1 2 . 1 1 98 98 LEU CA C 98 52.650 52.650 54.626 -1.976 18222 858 1 2 . 1 1 98 98 LEU CB C 98 40.460 40.460 41.270 -0.810 18222 859 1 2 . 1 1 98 98 LEU H H 98 8.270 8.270 8.496 -0.226 18222 860 1 2 . 1 1 99 99 PRO CA C 99 63.180 63.180 63.685 -0.505 18222 861 1 2 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.215 -1.375 18222 862 1 2 . 1 1 100 100 LYS N N 100 120.630 120.630 120.971 -0.341 18222 863 1 2 . 1 1 100 100 LYS CA C 100 55.730 55.730 56.342 -0.612 18222 864 1 2 . 1 1 100 100 LYS CB C 100 32.280 32.280 32.264 0.016 18222 865 1 2 . 1 1 100 100 LYS H H 100 8.090 8.090 7.971 0.119 18222 866 1 2 . 1 1 101 101 ASP N N 101 120.920 120.920 120.259 0.661 18222 867 1 2 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.432 -0.242 18222 868 1 2 . 1 1 101 101 ASP CA C 101 54.000 54.000 54.891 -0.891 18222 869 1 2 . 1 1 101 101 ASP CB C 101 40.330 40.330 41.313 -0.983 18222 870 1 2 . 1 1 101 101 ASP H H 101 8.190 8.190 8.214 -0.025 18222 871 1 2 . 1 1 102 102 ARG N N 102 122.210 122.210 121.720 0.490 18222 872 1 2 . 1 1 102 102 ARG CA C 102 55.590 55.590 55.455 0.135 18222 873 1 2 . 1 1 102 102 ARG CB C 102 29.630 29.630 31.791 -2.161 18222 874 1 2 . 1 1 102 102 ARG H H 102 8.130 8.130 8.311 -0.181 18222 875 1 2 . 1 1 103 103 SER N N 103 117.230 117.230 119.391 -2.161 18222 876 1 2 . 1 1 103 103 SER HA H 103 4.280 4.280 4.638 -0.358 18222 877 1 2 . 1 1 103 103 SER CA C 103 58.470 58.470 58.642 -0.172 18222 878 1 2 . 1 1 103 103 SER CB C 103 63.080 63.080 63.522 -0.442 18222 879 1 2 . 1 1 103 103 SER H H 103 8.290 8.290 8.701 -0.411 18222 880 1 2 . 1 1 104 104 THR N N 104 115.430 115.430 117.840 -2.410 18222 881 1 2 . 1 1 104 104 THR CA C 104 61.570 61.570 61.696 -0.126 18222 882 1 2 . 1 1 104 104 THR CB C 104 69.030 69.030 69.529 -0.499 18222 883 1 2 . 1 1 104 104 THR H H 104 8.020 8.020 8.711 -0.691 18222 884 1 2 . 1 1 105 105 ASP N N 105 122.780 122.780 122.295 0.485 18222 885 1 2 . 1 1 105 105 ASP CA C 105 54.210 54.210 54.166 0.044 18222 886 1 2 . 1 1 105 105 ASP CB C 105 40.380 40.380 41.160 -0.780 18222 887 1 2 . 1 1 105 105 ASP H H 105 8.120 8.120 8.123 -0.003 18222 888 1 2 . 1 1 106 106 GLN N N 106 120.960 120.960 121.108 -0.148 18222 889 1 2 . 1 1 106 106 GLN CA C 106 55.420 55.420 54.978 0.442 18222 890 1 2 . 1 1 106 106 GLN CB C 106 28.310 28.310 30.639 -2.329 18222 891 1 2 . 1 1 106 106 GLN H H 106 8.140 8.140 8.585 -0.445 18222 892 1 2 . 1 1 107 107 ARG N N 107 123.010 123.010 122.561 0.449 18222 893 1 2 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.541 -0.331 18222 894 1 2 . 1 1 107 107 ARG CA C 107 55.560 55.560 55.980 -0.420 18222 895 1 2 . 1 1 107 107 ARG CB C 107 29.920 29.920 29.941 -0.021 18222 896 1 2 . 1 1 107 107 ARG H H 107 8.180 8.180 8.650 -0.470 18222 897 1 3 . 1 1 2 2 VAL N N 2 121.590 121.590 122.800 -1.210 18222 898 1 3 . 1 1 2 2 VAL CA C 2 61.600 61.600 62.218 -0.618 18222 899 1 3 . 1 1 2 2 VAL CB C 2 31.900 31.900 32.768 -0.868 18222 900 1 3 . 1 1 2 2 VAL H H 2 8.010 8.010 8.403 -0.393 18222 901 1 3 . 1 1 3 3 ASN N N 3 122.520 122.520 124.609 -2.089 18222 902 1 3 . 1 1 3 3 ASN HA H 3 4.020 4.020 4.882 -0.862 18222 903 1 3 . 1 1 3 3 ASN CA C 3 52.640 52.640 52.652 -0.012 18222 904 1 3 . 1 1 3 3 ASN CB C 3 38.330 38.330 40.227 -1.897 18222 905 1 3 . 1 1 3 3 ASN H H 3 8.360 8.360 8.528 -0.168 18222 906 1 3 . 1 1 4 4 LEU N N 4 123.830 123.830 121.958 1.872 18222 907 1 3 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.224 -0.004 18222 908 1 3 . 1 1 4 4 LEU CA C 4 54.620 54.620 56.766 -2.146 18222 909 1 3 . 1 1 4 4 LEU CB C 4 41.680 41.680 41.914 -0.235 18222 910 1 3 . 1 1 4 4 LEU H H 4 8.220 8.220 8.447 -0.227 18222 911 1 3 . 1 1 5 5 GLY N N 5 106.810 106.810 105.295 1.515 18222 912 1 3 . 1 1 5 5 GLY CA C 5 45.800 45.800 44.606 1.194 18222 913 1 3 . 1 1 5 5 GLY H H 5 8.030 8.030 7.869 0.161 18222 914 1 3 . 1 1 6 6 LEU N N 6 120.820 120.820 122.691 -1.871 18222 915 1 3 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.545 -0.495 18222 916 1 3 . 1 1 6 6 LEU CA C 6 55.990 55.990 54.983 1.007 18222 917 1 3 . 1 1 6 6 LEU CB C 6 40.800 40.800 42.337 -1.537 18222 918 1 3 . 1 1 6 6 LEU H H 6 8.030 8.030 8.432 -0.402 18222 919 1 3 . 1 1 7 7 SER N N 7 115.540 115.540 116.293 -0.753 18222 920 1 3 . 1 1 7 7 SER HA H 7 4.100 4.100 4.150 -0.050 18222 921 1 3 . 1 1 7 7 SER CA C 7 60.580 60.580 62.242 -1.661 18222 922 1 3 . 1 1 7 7 SER CB C 7 62.060 62.060 62.960 -0.900 18222 923 1 3 . 1 1 7 7 SER H H 7 8.360 8.360 8.509 -0.149 18222 924 1 3 . 1 1 8 8 ARG N N 8 120.690 120.690 120.443 0.247 18222 925 1 3 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.072 0.088 18222 926 1 3 . 1 1 8 8 ARG CA C 8 57.350 57.350 59.250 -1.900 18222 927 1 3 . 1 1 8 8 ARG CB C 8 29.230 29.230 29.272 -0.042 18222 928 1 3 . 1 1 8 8 ARG H H 8 7.830 7.830 8.066 -0.236 18222 929 1 3 . 1 1 9 9 VAL N N 9 119.330 119.330 120.963 -1.633 18222 930 1 3 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.668 0.502 18222 931 1 3 . 1 1 9 9 VAL CA C 9 64.720 64.720 67.015 -2.295 18222 932 1 3 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.319 -0.419 18222 933 1 3 . 1 1 9 9 VAL H H 9 7.620 7.620 7.792 -0.172 18222 934 1 3 . 1 1 10 10 ASP N N 10 119.520 119.520 120.028 -0.508 18222 935 1 3 . 1 1 10 10 ASP CA C 10 54.960 54.960 57.411 -2.451 18222 936 1 3 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.557 -2.757 18222 937 1 3 . 1 1 10 10 ASP H H 10 8.180 8.180 8.249 -0.069 18222 938 1 3 . 1 1 11 11 ASP N N 11 121.550 121.550 121.094 0.456 18222 939 1 3 . 1 1 11 11 ASP CA C 11 54.440 54.440 57.980 -3.540 18222 940 1 3 . 1 1 11 11 ASP CB C 11 37.840 37.840 40.764 -2.924 18222 941 1 3 . 1 1 11 11 ASP H H 11 7.950 7.950 8.243 -0.293 18222 942 1 3 . 1 1 12 12 ALA N N 12 120.220 120.220 122.493 -2.273 18222 943 1 3 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.379 -1.009 18222 944 1 3 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.478 6.252 18222 945 1 3 . 1 1 12 12 ALA H H 12 8.090 8.090 8.301 -0.211 18222 946 1 3 . 1 1 13 13 VAL N N 13 116.910 116.910 118.096 -1.186 18222 947 1 3 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.634 0.506 18222 948 1 3 . 1 1 13 13 VAL CA C 13 64.900 64.900 65.901 -1.001 18222 949 1 3 . 1 1 13 13 VAL CB C 13 31.000 31.000 30.939 0.061 18222 950 1 3 . 1 1 13 13 VAL H H 13 7.980 7.980 8.104 -0.124 18222 951 1 3 . 1 1 14 14 ALA N N 14 122.200 122.200 122.379 -0.179 18222 952 1 3 . 1 1 14 14 ALA HA H 14 4.020 4.020 3.996 0.024 18222 953 1 3 . 1 1 14 14 ALA CA C 14 53.800 53.800 54.998 -1.198 18222 954 1 3 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.237 -0.447 18222 955 1 3 . 1 1 14 14 ALA H H 14 8.030 8.030 8.100 -0.070 18222 956 1 3 . 1 1 15 15 ALA N N 15 118.600 118.600 118.071 0.529 18222 957 1 3 . 1 1 15 15 ALA CA C 15 53.230 53.230 53.945 -0.715 18222 958 1 3 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.830 -0.820 18222 959 1 3 . 1 1 15 15 ALA H H 15 7.530 7.530 7.889 -0.359 18222 960 1 3 . 1 1 16 16 LYS N N 16 115.820 115.820 116.439 -0.619 18222 961 1 3 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.287 -0.207 18222 962 1 3 . 1 1 16 16 LYS CA C 16 55.670 55.670 56.687 -1.017 18222 963 1 3 . 1 1 16 16 LYS CB C 16 32.640 32.640 32.770 -0.130 18222 964 1 3 . 1 1 16 16 LYS H H 16 7.490 7.490 7.428 0.062 18222 965 1 3 . 1 1 17 17 HIS N N 17 116.790 116.790 119.368 -2.578 18222 966 1 3 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.867 -0.767 18222 967 1 3 . 1 1 17 17 HIS CA C 17 52.820 52.820 52.658 0.161 18222 968 1 3 . 1 1 17 17 HIS CB C 17 28.400 28.400 30.578 -2.178 18222 969 1 3 . 1 1 17 17 HIS H H 17 8.130 8.130 7.602 0.528 18222 970 1 3 . 1 1 18 18 PRO CA C 18 63.800 63.800 62.828 0.972 18222 971 1 3 . 1 1 18 18 PRO CB C 18 30.800 30.800 33.012 -2.212 18222 972 1 3 . 1 1 19 19 GLY N N 19 110.260 110.260 109.251 1.009 18222 973 1 3 . 1 1 19 19 GLY CA C 19 45.490 45.490 45.066 0.424 18222 974 1 3 . 1 1 19 19 GLY H H 19 8.730 8.730 8.001 0.729 18222 975 1 3 . 1 1 20 20 LEU N N 20 122.650 122.650 125.954 -3.304 18222 976 1 3 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.346 -0.256 18222 977 1 3 . 1 1 20 20 LEU CA C 20 57.060 57.060 58.426 -1.366 18222 978 1 3 . 1 1 20 20 LEU H H 20 7.980 7.980 8.862 -0.882 18222 979 1 3 . 1 1 21 21 GLY N N 21 107.000 107.000 106.154 0.846 18222 980 1 3 . 1 1 21 21 GLY CA C 21 46.710 46.710 46.969 -0.259 18222 981 1 3 . 1 1 21 21 GLY H H 21 8.570 8.570 8.484 0.086 18222 982 1 3 . 1 1 22 22 GLU N N 22 121.610 121.610 122.387 -0.777 18222 983 1 3 . 1 1 22 22 GLU HA H 22 3.990 3.990 4.105 -0.115 18222 984 1 3 . 1 1 22 22 GLU CA C 22 58.280 58.280 59.626 -1.346 18222 985 1 3 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.463 -1.453 18222 986 1 3 . 1 1 22 22 GLU H H 22 8.100 8.100 8.334 -0.234 18222 987 1 3 . 1 1 23 23 TYR N N 23 120.870 120.870 119.416 1.454 18222 988 1 3 . 1 1 23 23 TYR CA C 23 60.380 60.380 61.791 -1.411 18222 989 1 3 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.050 -0.300 18222 990 1 3 . 1 1 23 23 TYR H H 23 7.910 7.910 9.025 -1.115 18222 991 1 3 . 1 1 24 24 ALA N N 24 121.420 121.420 121.665 -0.245 18222 992 1 3 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.913 0.227 18222 993 1 3 . 1 1 24 24 ALA CA C 24 54.260 54.260 54.963 -0.703 18222 994 1 3 . 1 1 24 24 ALA H H 24 8.410 8.410 8.409 0.001 18222 995 1 3 . 1 1 25 25 ALA N N 25 120.220 120.220 121.702 -1.482 18222 996 1 3 . 1 1 25 25 ALA CA C 25 54.370 54.370 55.256 -0.886 18222 997 1 3 . 1 1 25 25 ALA H H 25 8.090 8.090 8.199 -0.109 18222 998 1 3 . 1 1 26 26 CYS N N 26 116.760 116.760 117.143 -0.383 18222 999 1 3 . 1 1 26 26 CYS CA C 26 61.180 61.180 63.508 -2.328 18222 1000 1 3 . 1 1 26 26 CYS CB C 26 26.390 26.390 26.754 -0.364 18222 1001 1 3 . 1 1 26 26 CYS H H 26 7.950 7.950 8.335 -0.385 18222 1002 1 3 . 1 1 27 27 GLN N N 27 118.690 118.690 120.699 -2.009 18222 1003 1 3 . 1 1 27 27 GLN CA C 27 55.970 55.970 59.396 -3.426 18222 1004 1 3 . 1 1 27 27 GLN H H 27 8.060 8.060 8.480 -0.420 18222 1005 1 3 . 1 1 28 28 SER N N 28 115.490 115.490 116.138 -0.648 18222 1006 1 3 . 1 1 28 28 SER HA H 28 3.990 3.990 4.264 -0.274 18222 1007 1 3 . 1 1 28 28 SER CA C 28 61.110 61.110 62.341 -1.231 18222 1008 1 3 . 1 1 28 28 SER H H 28 7.980 7.980 8.421 -0.441 18222 1009 1 3 . 1 1 29 29 HIS N N 29 120.880 120.880 121.363 -0.483 18222 1010 1 3 . 1 1 29 29 HIS CA C 29 58.190 58.190 60.019 -1.829 18222 1011 1 3 . 1 1 29 29 HIS CB C 29 27.460 27.460 30.457 -2.997 18222 1012 1 3 . 1 1 29 29 HIS H H 29 8.180 8.180 8.435 -0.255 18222 1013 1 3 . 1 1 30 30 ALA N N 30 122.920 122.920 122.025 0.895 18222 1014 1 3 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.119 -0.559 18222 1015 1 3 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.415 -0.925 18222 1016 1 3 . 1 1 30 30 ALA H H 30 8.040 8.040 8.349 -0.309 18222 1017 1 3 . 1 1 31 31 PHE N N 31 119.340 119.340 119.745 -0.405 18222 1018 1 3 . 1 1 31 31 PHE CA C 31 60.370 60.370 61.159 -0.789 18222 1019 1 3 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.343 -0.823 18222 1020 1 3 . 1 1 31 31 PHE H H 31 8.230 8.230 8.573 -0.343 18222 1021 1 3 . 1 1 32 32 MET N N 32 118.110 118.110 119.126 -1.016 18222 1022 1 3 . 1 1 32 32 MET HA H 32 4.050 4.050 3.958 0.092 18222 1023 1 3 . 1 1 32 32 MET CA C 32 58.280 58.280 59.352 -1.071 18222 1024 1 3 . 1 1 32 32 MET CB C 32 31.090 31.090 32.409 -1.319 18222 1025 1 3 . 1 1 32 32 MET H H 32 8.120 8.120 8.483 -0.363 18222 1026 1 3 . 1 1 33 33 LYS N N 33 119.040 119.040 119.895 -0.855 18222 1027 1 3 . 1 1 33 33 LYS HA H 33 3.930 3.930 3.991 -0.061 18222 1028 1 3 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.718 -0.678 18222 1029 1 3 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.341 -1.351 18222 1030 1 3 . 1 1 33 33 LYS H H 33 7.970 7.970 8.232 -0.262 18222 1031 1 3 . 1 1 34 34 GLY N N 34 108.840 108.840 107.381 1.459 18222 1032 1 3 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.127 -0.517 18222 1033 1 3 . 1 1 34 34 GLY H H 34 8.030 8.030 8.425 -0.395 18222 1034 1 3 . 1 1 35 35 VAL N N 35 122.910 122.910 122.222 0.688 18222 1035 1 3 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.595 0.625 18222 1036 1 3 . 1 1 35 35 VAL CA C 35 66.310 66.310 65.087 1.224 18222 1037 1 3 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.547 -0.987 18222 1038 1 3 . 1 1 35 35 VAL H H 35 8.090 8.090 8.225 -0.135 18222 1039 1 3 . 1 1 36 36 PHE N N 36 120.020 120.020 120.646 -0.626 18222 1040 1 3 . 1 1 36 36 PHE CA C 36 61.350 61.350 61.717 -0.367 18222 1041 1 3 . 1 1 36 36 PHE CB C 36 38.090 38.090 39.029 -0.939 18222 1042 1 3 . 1 1 36 36 PHE H H 36 8.350 8.350 8.303 0.047 18222 1043 1 3 . 1 1 37 37 THR N N 37 116.980 116.980 116.136 0.844 18222 1044 1 3 . 1 1 37 37 THR HA H 37 4.050 4.050 3.784 0.266 18222 1045 1 3 . 1 1 37 37 THR CA C 37 66.000 66.000 66.124 -0.124 18222 1046 1 3 . 1 1 37 37 THR CB C 37 68.270 68.270 68.688 -0.418 18222 1047 1 3 . 1 1 37 37 THR H H 37 8.520 8.520 8.566 -0.046 18222 1048 1 3 . 1 1 38 38 PHE N N 38 123.090 123.090 120.534 2.556 18222 1049 1 3 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.243 0.117 18222 1050 1 3 . 1 1 38 38 PHE CA C 38 61.140 61.140 61.663 -0.523 18222 1051 1 3 . 1 1 38 38 PHE CB C 38 41.200 41.200 39.366 1.834 18222 1052 1 3 . 1 1 38 38 PHE H H 38 8.010 8.010 8.028 -0.018 18222 1053 1 3 . 1 1 39 39 VAL N N 39 117.280 117.280 117.012 0.268 18222 1054 1 3 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.696 0.514 18222 1055 1 3 . 1 1 39 39 VAL CA C 39 66.000 66.000 64.696 1.304 18222 1056 1 3 . 1 1 39 39 VAL CB C 39 30.860 30.860 31.868 -1.008 18222 1057 1 3 . 1 1 39 39 VAL H H 39 8.530 8.530 8.283 0.247 18222 1058 1 3 . 1 1 40 40 THR N N 40 109.470 109.470 113.430 -3.960 18222 1059 1 3 . 1 1 40 40 THR HA H 40 4.060 4.060 3.826 0.234 18222 1060 1 3 . 1 1 40 40 THR CA C 40 63.390 63.390 65.605 -2.215 18222 1061 1 3 . 1 1 40 40 THR CB C 40 68.650 68.650 69.008 -0.358 18222 1062 1 3 . 1 1 40 40 THR H H 40 7.700 7.700 7.587 0.113 18222 1063 1 3 . 1 1 41 41 GLY N N 41 110.770 110.770 107.940 2.830 18222 1064 1 3 . 1 1 41 41 GLY CA C 41 45.580 45.580 45.514 0.066 18222 1065 1 3 . 1 1 41 41 GLY H H 41 7.700 7.700 8.269 -0.569 18222 1066 1 3 . 1 1 42 42 THR N N 42 114.520 114.520 111.325 3.195 18222 1067 1 3 . 1 1 42 42 THR CA C 42 63.300 63.300 62.234 1.066 18222 1068 1 3 . 1 1 42 42 THR CB C 42 69.490 69.490 68.492 0.998 18222 1069 1 3 . 1 1 42 42 THR H H 42 7.720 7.720 7.818 -0.098 18222 1070 1 3 . 1 1 43 43 GLY N N 43 109.540 109.540 111.105 -1.565 18222 1071 1 3 . 1 1 43 43 GLY CA C 43 46.250 46.250 46.355 -0.105 18222 1072 1 3 . 1 1 43 43 GLY H H 43 8.110 8.110 8.597 -0.487 18222 1073 1 3 . 1 1 44 44 MET N N 44 120.240 120.240 121.303 -1.063 18222 1074 1 3 . 1 1 44 44 MET HA H 44 4.100 4.100 4.018 0.082 18222 1075 1 3 . 1 1 44 44 MET CA C 44 57.700 57.700 58.801 -1.101 18222 1076 1 3 . 1 1 44 44 MET CB C 44 32.030 32.030 32.406 -0.376 18222 1077 1 3 . 1 1 44 44 MET H H 44 7.730 7.730 8.135 -0.405 18222 1078 1 3 . 1 1 45 45 ALA N N 45 121.560 121.560 121.062 0.498 18222 1079 1 3 . 1 1 45 45 ALA CA C 45 54.440 54.440 55.197 -0.757 18222 1080 1 3 . 1 1 45 45 ALA CB C 45 17.400 17.400 17.809 -0.409 18222 1081 1 3 . 1 1 45 45 ALA H H 45 7.950 7.950 7.749 0.201 18222 1082 1 3 . 1 1 46 46 PHE N N 46 118.260 118.260 118.823 -0.563 18222 1083 1 3 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.238 -0.308 18222 1084 1 3 . 1 1 46 46 PHE CA C 46 59.820 59.820 60.844 -1.024 18222 1085 1 3 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.461 -0.201 18222 1086 1 3 . 1 1 46 46 PHE H H 46 7.860 7.860 8.044 -0.184 18222 1087 1 3 . 1 1 47 47 GLY N N 47 107.300 107.300 108.739 -1.439 18222 1088 1 3 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.176 -0.616 18222 1089 1 3 . 1 1 47 47 GLY H H 47 8.200 8.200 8.688 -0.488 18222 1090 1 3 . 1 1 48 48 LEU N N 48 121.920 121.920 122.870 -0.950 18222 1091 1 3 . 1 1 48 48 LEU HA H 48 4.040 4.040 4.011 0.029 18222 1092 1 3 . 1 1 48 48 LEU CA C 48 57.580 57.580 57.817 -0.237 18222 1093 1 3 . 1 1 48 48 LEU CB C 48 40.790 40.790 41.752 -0.962 18222 1094 1 3 . 1 1 48 48 LEU H H 48 8.180 8.180 8.182 -0.002 18222 1095 1 3 . 1 1 49 49 GLN N N 49 118.270 118.270 117.919 0.351 18222 1096 1 3 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.884 -0.054 18222 1097 1 3 . 1 1 49 49 GLN CA C 49 58.880 58.880 59.239 -0.359 18222 1098 1 3 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.589 -1.349 18222 1099 1 3 . 1 1 49 49 GLN H H 49 8.080 8.080 8.165 -0.085 18222 1100 1 3 . 1 1 50 50 MET N N 50 117.630 117.630 119.099 -1.469 18222 1101 1 3 . 1 1 50 50 MET HA H 50 4.010 4.010 4.245 -0.235 18222 1102 1 3 . 1 1 50 50 MET CA C 50 57.730 57.730 58.291 -0.561 18222 1103 1 3 . 1 1 50 50 MET CB C 50 27.160 27.160 32.498 -5.338 18222 1104 1 3 . 1 1 50 50 MET H H 50 7.880 7.880 8.242 -0.362 18222 1105 1 3 . 1 1 51 51 PHE N N 51 119.550 119.550 120.060 -0.510 18222 1106 1 3 . 1 1 51 51 PHE CA C 51 60.850 60.850 61.568 -0.718 18222 1107 1 3 . 1 1 51 51 PHE CB C 51 38.720 38.720 39.332 -0.612 18222 1108 1 3 . 1 1 51 51 PHE H H 51 7.890 7.890 8.335 -0.445 18222 1109 1 3 . 1 1 52 52 ILE N N 52 117.950 117.950 119.485 -1.535 18222 1110 1 3 . 1 1 52 52 ILE HA H 52 4.050 4.050 3.974 0.076 18222 1111 1 3 . 1 1 52 52 ILE CA C 52 63.560 63.560 64.424 -0.864 18222 1112 1 3 . 1 1 52 52 ILE CB C 52 36.810 36.810 38.467 -1.657 18222 1113 1 3 . 1 1 52 52 ILE H H 52 8.110 8.110 8.260 -0.150 18222 1114 1 3 . 1 1 53 53 GLN N N 53 117.360 117.360 119.429 -2.069 18222 1115 1 3 . 1 1 53 53 GLN CA C 53 57.200 57.200 58.373 -1.173 18222 1116 1 3 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.528 -0.658 18222 1117 1 3 . 1 1 53 53 GLN H H 53 7.930 7.930 8.178 -0.248 18222 1118 1 3 . 1 1 54 54 ARG N N 54 116.840 116.840 117.665 -0.825 18222 1119 1 3 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.186 -0.236 18222 1120 1 3 . 1 1 54 54 ARG CA C 54 56.480 56.480 57.533 -1.053 18222 1121 1 3 . 1 1 54 54 ARG CB C 54 28.970 28.970 30.036 -1.066 18222 1122 1 3 . 1 1 54 54 ARG H H 54 7.540 7.540 7.716 -0.176 18222 1123 1 3 . 1 1 55 55 LYS N N 55 117.900 117.900 117.580 0.320 18222 1124 1 3 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.253 -0.173 18222 1125 1 3 . 1 1 55 55 LYS CA C 55 55.030 55.030 56.901 -1.871 18222 1126 1 3 . 1 1 55 55 LYS CB C 55 32.010 32.010 32.525 -0.515 18222 1127 1 3 . 1 1 55 55 LYS H H 55 7.660 7.660 7.322 0.338 18222 1128 1 3 . 1 1 56 56 PHE N N 56 121.060 121.060 120.420 0.640 18222 1129 1 3 . 1 1 56 56 PHE CA C 56 55.190 55.190 54.749 0.441 18222 1130 1 3 . 1 1 56 56 PHE CB C 56 38.970 38.970 39.913 -0.943 18222 1131 1 3 . 1 1 56 56 PHE H H 56 8.080 8.080 7.773 0.307 18222 1132 1 3 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.568 -1.178 18222 1133 1 3 . 1 1 57 57 PRO CB C 57 30.580 30.580 31.751 -1.171 18222 1134 1 3 . 1 1 58 58 TYR N N 58 120.240 120.240 120.901 -0.661 18222 1135 1 3 . 1 1 58 58 TYR CA C 58 55.770 55.770 55.278 0.492 18222 1136 1 3 . 1 1 58 58 TYR CB C 58 40.220 40.220 39.662 0.558 18222 1137 1 3 . 1 1 58 58 TYR H H 58 7.700 7.700 7.862 -0.162 18222 1138 1 3 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.656 -1.526 18222 1139 1 3 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.183 1.157 18222 1140 1 3 . 1 1 60 60 LEU N N 60 122.210 122.210 120.958 1.252 18222 1141 1 3 . 1 1 60 60 LEU CA C 60 54.250 54.250 55.156 -0.906 18222 1142 1 3 . 1 1 60 60 LEU CB C 60 41.470 41.470 42.294 -0.824 18222 1143 1 3 . 1 1 60 60 LEU H H 60 7.880 7.880 7.918 -0.038 18222 1144 1 3 . 1 1 61 61 GLN N N 61 122.470 122.470 121.931 0.539 18222 1145 1 3 . 1 1 61 61 GLN CA C 61 54.170 54.170 55.275 -1.105 18222 1146 1 3 . 1 1 61 61 GLN H H 61 7.970 7.970 8.334 -0.364 18222 1147 1 3 . 1 1 62 62 TRP N N 62 124.590 124.590 125.336 -0.746 18222 1148 1 3 . 1 1 62 62 TRP CA C 62 59.830 59.830 61.482 -1.652 18222 1149 1 3 . 1 1 62 62 TRP CB C 62 28.800 28.800 29.386 -0.586 18222 1150 1 3 . 1 1 62 62 TRP H H 62 8.240 8.240 8.875 -0.635 18222 1151 1 3 . 1 1 63 63 SER N N 63 113.320 113.320 115.833 -2.513 18222 1152 1 3 . 1 1 63 63 SER CA C 63 61.100 61.100 62.254 -1.154 18222 1153 1 3 . 1 1 63 63 SER H H 63 8.410 8.410 8.470 -0.060 18222 1154 1 3 . 1 1 64 64 LEU N N 64 123.230 123.230 122.295 0.935 18222 1155 1 3 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.628 -0.748 18222 1156 1 3 . 1 1 64 64 LEU CB C 64 40.830 40.830 41.817 -0.987 18222 1157 1 3 . 1 1 64 64 LEU H H 64 7.230 7.230 8.170 -0.940 18222 1158 1 3 . 1 1 65 65 LEU N N 65 119.400 119.400 120.501 -1.101 18222 1159 1 3 . 1 1 65 65 LEU HA H 65 3.890 3.890 3.939 -0.049 18222 1160 1 3 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.191 -0.611 18222 1161 1 3 . 1 1 65 65 LEU CB C 65 40.710 40.710 41.834 -1.124 18222 1162 1 3 . 1 1 65 65 LEU H H 65 7.510 7.510 8.621 -1.111 18222 1163 1 3 . 1 1 66 66 VAL N N 66 116.950 116.950 119.309 -2.359 18222 1164 1 3 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.617 0.343 18222 1165 1 3 . 1 1 66 66 VAL CA C 66 66.260 66.260 65.150 1.110 18222 1166 1 3 . 1 1 66 66 VAL CB C 66 30.570 30.570 30.556 0.014 18222 1167 1 3 . 1 1 66 66 VAL H H 66 7.950 7.950 8.236 -0.286 18222 1168 1 3 . 1 1 67 67 ALA N N 67 120.650 120.650 122.517 -1.867 18222 1169 1 3 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.177 -0.177 18222 1170 1 3 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.292 -0.512 18222 1171 1 3 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.338 -0.898 18222 1172 1 3 . 1 1 67 67 ALA H H 67 7.450 7.450 8.030 -0.580 18222 1173 1 3 . 1 1 68 68 VAL N N 68 118.440 118.440 119.172 -0.732 18222 1174 1 3 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.671 0.079 18222 1175 1 3 . 1 1 68 68 VAL CA C 68 65.250 65.250 67.370 -2.119 18222 1176 1 3 . 1 1 68 68 VAL CB C 68 30.850 30.850 31.932 -1.082 18222 1177 1 3 . 1 1 68 68 VAL H H 68 7.960 7.960 7.898 0.062 18222 1178 1 3 . 1 1 69 69 VAL N N 69 120.800 120.800 120.013 0.787 18222 1179 1 3 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.583 0.637 18222 1180 1 3 . 1 1 69 69 VAL CA C 69 66.020 66.020 66.383 -0.363 18222 1181 1 3 . 1 1 69 69 VAL CB C 69 30.850 30.850 30.684 0.166 18222 1182 1 3 . 1 1 69 69 VAL H H 69 8.080 8.080 8.438 -0.358 18222 1183 1 3 . 1 1 70 70 ALA N N 70 121.740 121.740 120.910 0.830 18222 1184 1 3 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.177 -0.257 18222 1185 1 3 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.359 -0.439 18222 1186 1 3 . 1 1 70 70 ALA CB C 70 17.620 17.620 18.251 -0.631 18222 1187 1 3 . 1 1 70 70 ALA H H 70 8.660 8.660 8.574 0.086 18222 1188 1 3 . 1 1 71 71 GLY N N 71 103.450 103.450 106.832 -3.382 18222 1189 1 3 . 1 1 71 71 GLY CA C 71 46.300 46.300 46.894 -0.594 18222 1190 1 3 . 1 1 71 71 GLY H H 71 8.010 8.010 8.051 -0.041 18222 1191 1 3 . 1 1 72 72 SER N N 72 118.160 118.160 118.011 0.149 18222 1192 1 3 . 1 1 72 72 SER CA C 72 61.260 61.260 61.712 -0.452 18222 1193 1 3 . 1 1 72 72 SER CB C 72 62.870 62.870 63.104 -0.234 18222 1194 1 3 . 1 1 72 72 SER H H 72 7.870 7.870 8.007 -0.137 18222 1195 1 3 . 1 1 73 73 VAL N N 73 121.340 121.340 122.213 -0.873 18222 1196 1 3 . 1 1 73 73 VAL CA C 73 65.750 65.750 66.833 -1.083 18222 1197 1 3 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.823 -1.083 18222 1198 1 3 . 1 1 73 73 VAL H H 73 8.050 8.050 8.196 -0.146 18222 1199 1 3 . 1 1 74 74 VAL N N 74 118.680 118.680 118.547 0.133 18222 1200 1 3 . 1 1 74 74 VAL CA C 74 65.770 65.770 65.949 -0.179 18222 1201 1 3 . 1 1 74 74 VAL CB C 74 30.740 30.740 30.520 0.220 18222 1202 1 3 . 1 1 74 74 VAL H H 74 7.880 7.880 8.466 -0.586 18222 1203 1 3 . 1 1 75 75 SER N N 75 114.750 114.750 116.097 -1.347 18222 1204 1 3 . 1 1 75 75 SER HA H 75 4.100 4.100 4.187 -0.087 18222 1205 1 3 . 1 1 75 75 SER CA C 75 60.870 60.870 61.607 -0.737 18222 1206 1 3 . 1 1 75 75 SER CB C 75 62.340 62.340 63.042 -0.702 18222 1207 1 3 . 1 1 75 75 SER H H 75 7.870 7.870 8.048 -0.178 18222 1208 1 3 . 1 1 76 76 TYR N N 76 121.110 121.110 122.270 -1.160 18222 1209 1 3 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.004 -0.954 18222 1210 1 3 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.264 -0.284 18222 1211 1 3 . 1 1 76 76 TYR H H 76 7.860 7.860 8.562 -0.702 18222 1212 1 3 . 1 1 77 77 GLY N N 77 107.300 107.300 107.298 0.002 18222 1213 1 3 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.315 -0.755 18222 1214 1 3 . 1 1 77 77 GLY H H 77 8.200 8.200 8.482 -0.282 18222 1215 1 3 . 1 1 78 78 VAL N N 78 119.470 119.470 122.291 -2.821 18222 1216 1 3 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.746 0.424 18222 1217 1 3 . 1 1 78 78 VAL CA C 78 64.650 64.650 66.314 -1.664 18222 1218 1 3 . 1 1 78 78 VAL H H 78 8.140 8.140 8.623 -0.483 18222 1219 1 3 . 1 1 79 79 THR N N 79 112.100 112.100 115.921 -3.821 18222 1220 1 3 . 1 1 79 79 THR CA C 79 63.460 63.460 66.105 -2.645 18222 1221 1 3 . 1 1 79 79 THR CB C 79 68.650 68.650 68.207 0.443 18222 1222 1 3 . 1 1 79 79 THR H H 79 7.640 7.640 8.342 -0.702 18222 1223 1 3 . 1 1 80 80 ARG N N 80 120.770 120.770 122.094 -1.324 18222 1224 1 3 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.169 -0.009 18222 1225 1 3 . 1 1 80 80 ARG CA C 80 56.790 56.790 59.137 -2.347 18222 1226 1 3 . 1 1 80 80 ARG CB C 80 29.430 29.430 30.096 -0.666 18222 1227 1 3 . 1 1 80 80 ARG H H 80 7.680 7.680 7.963 -0.283 18222 1228 1 3 . 1 1 81 81 VAL N N 81 118.370 118.370 117.592 0.778 18222 1229 1 3 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.881 0.039 18222 1230 1 3 . 1 1 81 81 VAL CA C 81 63.340 63.340 66.814 -3.474 18222 1231 1 3 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.096 0.164 18222 1232 1 3 . 1 1 81 81 VAL H H 81 7.730 7.730 8.262 -0.532 18222 1233 1 3 . 1 1 82 82 GLU N N 82 120.620 120.620 119.797 0.823 18222 1234 1 3 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.616 -3.296 18222 1235 1 3 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.361 -1.431 18222 1236 1 3 . 1 1 82 82 GLU H H 82 7.920 7.920 8.659 -0.739 18222 1237 1 3 . 1 1 83 83 SER N N 83 116.240 116.240 115.622 0.618 18222 1238 1 3 . 1 1 83 83 SER CA C 83 59.250 59.250 61.740 -2.490 18222 1239 1 3 . 1 1 83 83 SER CB C 83 63.160 63.160 62.765 0.395 18222 1240 1 3 . 1 1 83 83 SER H H 83 7.960 7.960 8.093 -0.133 18222 1241 1 3 . 1 1 84 84 GLU N N 84 123.280 123.280 121.947 1.333 18222 1242 1 3 . 1 1 84 84 GLU HA H 84 4.080 4.080 3.990 0.090 18222 1243 1 3 . 1 1 84 84 GLU CA C 84 57.860 57.860 60.077 -2.217 18222 1244 1 3 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.660 -1.470 18222 1245 1 3 . 1 1 84 84 GLU H H 84 8.470 8.470 8.058 0.412 18222 1246 1 3 . 1 1 85 85 LYS N N 85 118.650 118.650 119.052 -0.402 18222 1247 1 3 . 1 1 85 85 LYS HA H 85 4.100 4.100 4.105 -0.005 18222 1248 1 3 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.181 -1.401 18222 1249 1 3 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.368 -0.988 18222 1250 1 3 . 1 1 85 85 LYS H H 85 7.940 7.940 8.223 -0.282 18222 1251 1 3 . 1 1 86 86 CYS N N 86 117.070 117.070 119.318 -2.248 18222 1252 1 3 . 1 1 86 86 CYS CA C 86 60.910 60.910 63.977 -3.067 18222 1253 1 3 . 1 1 86 86 CYS CB C 86 26.740 26.740 26.972 -0.232 18222 1254 1 3 . 1 1 86 86 CYS H H 86 7.840 7.840 8.124 -0.284 18222 1255 1 3 . 1 1 87 87 ASN N N 87 119.370 119.370 118.773 0.597 18222 1256 1 3 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.622 -0.492 18222 1257 1 3 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.659 -0.909 18222 1258 1 3 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.408 -0.358 18222 1259 1 3 . 1 1 87 87 ASN H H 87 8.110 8.110 8.632 -0.522 18222 1260 1 3 . 1 1 88 88 ASN N N 88 117.570 117.570 119.574 -2.004 18222 1261 1 3 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.524 -0.244 18222 1262 1 3 . 1 1 88 88 ASN CA C 88 55.190 55.190 56.337 -1.147 18222 1263 1 3 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.499 -1.099 18222 1264 1 3 . 1 1 88 88 ASN H H 88 8.280 8.280 8.244 0.036 18222 1265 1 3 . 1 1 89 89 LEU N N 89 121.940 121.940 122.107 -0.167 18222 1266 1 3 . 1 1 89 89 LEU HA H 89 4.070 4.070 4.013 0.057 18222 1267 1 3 . 1 1 89 89 LEU CA C 89 57.580 57.580 58.783 -1.203 18222 1268 1 3 . 1 1 89 89 LEU CB C 89 40.490 40.490 42.076 -1.586 18222 1269 1 3 . 1 1 89 89 LEU H H 89 7.790 7.790 8.466 -0.676 18222 1270 1 3 . 1 1 90 90 TRP N N 90 119.220 119.220 120.547 -1.327 18222 1271 1 3 . 1 1 90 90 TRP CA C 90 59.120 59.120 60.167 -1.048 18222 1272 1 3 . 1 1 90 90 TRP CB C 90 28.800 28.800 29.608 -0.808 18222 1273 1 3 . 1 1 90 90 TRP H H 90 7.850 7.850 8.154 -0.304 18222 1274 1 3 . 1 1 91 91 LEU N N 91 117.870 117.870 120.845 -2.975 18222 1275 1 3 . 1 1 91 91 LEU CA C 91 57.300 57.300 57.993 -0.693 18222 1276 1 3 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.906 -1.296 18222 1277 1 3 . 1 1 91 91 LEU H H 91 7.920 7.920 8.312 -0.392 18222 1278 1 3 . 1 1 92 92 PHE N N 92 121.280 121.280 118.031 3.249 18222 1279 1 3 . 1 1 92 92 PHE CA C 92 60.390 60.390 61.683 -1.293 18222 1280 1 3 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.623 -0.644 18222 1281 1 3 . 1 1 92 92 PHE H H 92 7.860 7.860 8.363 -0.503 18222 1282 1 3 . 1 1 93 93 LEU N N 93 119.860 119.860 120.952 -1.092 18222 1283 1 3 . 1 1 93 93 LEU CA C 93 56.860 56.860 58.267 -1.407 18222 1284 1 3 . 1 1 93 93 LEU CB C 93 40.550 40.550 41.908 -1.358 18222 1285 1 3 . 1 1 93 93 LEU H H 93 7.980 7.980 8.733 -0.753 18222 1286 1 3 . 1 1 94 94 GLU N N 94 114.660 114.660 117.056 -2.396 18222 1287 1 3 . 1 1 94 94 GLU HA H 94 3.810 3.810 3.683 0.127 18222 1288 1 3 . 1 1 94 94 GLU CA C 94 57.210 57.210 58.493 -1.283 18222 1289 1 3 . 1 1 94 94 GLU CB C 94 28.470 28.470 29.204 -0.734 18222 1290 1 3 . 1 1 94 94 GLU H H 94 7.890 7.890 7.638 0.252 18222 1291 1 3 . 1 1 95 95 THR N N 95 108.260 108.260 111.440 -3.180 18222 1292 1 3 . 1 1 95 95 THR CA C 95 62.150 62.150 62.555 -0.405 18222 1293 1 3 . 1 1 95 95 THR CB C 95 70.810 70.810 69.660 1.150 18222 1294 1 3 . 1 1 95 95 THR H H 95 7.690 7.690 7.578 0.112 18222 1295 1 3 . 1 1 96 96 GLY N N 96 112.220 112.220 109.576 2.644 18222 1296 1 3 . 1 1 96 96 GLY CA C 96 45.410 45.410 44.790 0.620 18222 1297 1 3 . 1 1 96 96 GLY H H 96 8.240 8.240 7.543 0.697 18222 1298 1 3 . 1 1 97 97 GLN N N 97 117.950 117.950 120.623 -2.673 18222 1299 1 3 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.312 -0.112 18222 1300 1 3 . 1 1 97 97 GLN CA C 97 54.430 54.430 55.332 -0.902 18222 1301 1 3 . 1 1 97 97 GLN CB C 97 29.910 29.910 28.538 1.372 18222 1302 1 3 . 1 1 97 97 GLN H H 97 7.640 7.640 8.232 -0.592 18222 1303 1 3 . 1 1 98 98 LEU N N 98 123.810 123.810 127.027 -3.217 18222 1304 1 3 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.406 -0.046 18222 1305 1 3 . 1 1 98 98 LEU CA C 98 52.650 52.650 53.751 -1.101 18222 1306 1 3 . 1 1 98 98 LEU CB C 98 40.460 40.460 41.849 -1.389 18222 1307 1 3 . 1 1 98 98 LEU H H 98 8.270 8.270 7.946 0.324 18222 1308 1 3 . 1 1 99 99 PRO CA C 99 63.180 63.180 62.069 1.111 18222 1309 1 3 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.584 -1.744 18222 1310 1 3 . 1 1 100 100 LYS N N 100 120.630 120.630 119.033 1.597 18222 1311 1 3 . 1 1 100 100 LYS CA C 100 55.730 55.730 58.301 -2.571 18222 1312 1 3 . 1 1 100 100 LYS CB C 100 32.280 32.280 32.517 -0.237 18222 1313 1 3 . 1 1 100 100 LYS H H 100 8.090 8.090 8.369 -0.279 18222 1314 1 3 . 1 1 101 101 ASP N N 101 120.920 120.920 117.836 3.084 18222 1315 1 3 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.746 -0.556 18222 1316 1 3 . 1 1 101 101 ASP CA C 101 54.000 54.000 54.185 -0.185 18222 1317 1 3 . 1 1 101 101 ASP CB C 101 40.330 40.330 41.301 -0.971 18222 1318 1 3 . 1 1 101 101 ASP H H 101 8.190 8.190 7.995 0.195 18222 1319 1 3 . 1 1 102 102 ARG N N 102 122.210 122.210 124.645 -2.435 18222 1320 1 3 . 1 1 102 102 ARG CA C 102 55.590 55.590 56.859 -1.269 18222 1321 1 3 . 1 1 102 102 ARG CB C 102 29.630 29.630 31.181 -1.551 18222 1322 1 3 . 1 1 102 102 ARG H H 102 8.130 8.130 8.352 -0.222 18222 1323 1 3 . 1 1 103 103 SER N N 103 117.230 117.230 118.218 -0.988 18222 1324 1 3 . 1 1 103 103 SER HA H 103 4.280 4.280 4.531 -0.251 18222 1325 1 3 . 1 1 103 103 SER CA C 103 58.470 58.470 58.360 0.110 18222 1326 1 3 . 1 1 103 103 SER CB C 103 63.080 63.080 63.673 -0.593 18222 1327 1 3 . 1 1 103 103 SER H H 103 8.290 8.290 8.522 -0.232 18222 1328 1 3 . 1 1 104 104 THR N N 104 115.430 115.430 120.381 -4.951 18222 1329 1 3 . 1 1 104 104 THR CA C 104 61.570 61.570 63.605 -2.035 18222 1330 1 3 . 1 1 104 104 THR CB C 104 69.030 69.030 68.983 0.047 18222 1331 1 3 . 1 1 104 104 THR H H 104 8.020 8.020 8.298 -0.278 18222 1332 1 3 . 1 1 105 105 ASP N N 105 122.780 122.780 124.292 -1.512 18222 1333 1 3 . 1 1 105 105 ASP CA C 105 54.210 54.210 53.835 0.375 18222 1334 1 3 . 1 1 105 105 ASP CB C 105 40.380 40.380 41.987 -1.607 18222 1335 1 3 . 1 1 105 105 ASP H H 105 8.120 8.120 7.961 0.159 18222 1336 1 3 . 1 1 106 106 GLN N N 106 120.960 120.960 118.816 2.144 18222 1337 1 3 . 1 1 106 106 GLN CA C 106 55.420 55.420 56.627 -1.207 18222 1338 1 3 . 1 1 106 106 GLN CB C 106 28.310 28.310 30.746 -2.436 18222 1339 1 3 . 1 1 106 106 GLN H H 106 8.140 8.140 8.395 -0.255 18222 1340 1 3 . 1 1 107 107 ARG N N 107 123.010 123.010 122.936 0.074 18222 1341 1 3 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.578 -0.368 18222 1342 1 3 . 1 1 107 107 ARG CA C 107 55.560 55.560 56.320 -0.760 18222 1343 1 3 . 1 1 107 107 ARG CB C 107 29.920 29.920 30.614 -0.694 18222 1344 1 3 . 1 1 107 107 ARG H H 107 8.180 8.180 8.671 -0.491 18222 1345 1 4 . 1 1 2 2 VAL N N 2 121.590 121.590 121.371 0.219 18222 1346 1 4 . 1 1 2 2 VAL CA C 2 61.600 61.600 62.029 -0.429 18222 1347 1 4 . 1 1 2 2 VAL CB C 2 31.900 31.900 33.014 -1.114 18222 1348 1 4 . 1 1 2 2 VAL H H 2 8.010 8.010 8.411 -0.401 18222 1349 1 4 . 1 1 3 3 ASN N N 3 122.520 122.520 123.743 -1.223 18222 1350 1 4 . 1 1 3 3 ASN HA H 3 4.020 4.020 4.904 -0.884 18222 1351 1 4 . 1 1 3 3 ASN CA C 3 52.640 52.640 52.904 -0.264 18222 1352 1 4 . 1 1 3 3 ASN CB C 3 38.330 38.330 38.806 -0.476 18222 1353 1 4 . 1 1 3 3 ASN H H 3 8.360 8.360 8.578 -0.218 18222 1354 1 4 . 1 1 4 4 LEU N N 4 123.830 123.830 121.866 1.964 18222 1355 1 4 . 1 1 4 4 LEU HA H 4 4.220 4.220 3.725 0.495 18222 1356 1 4 . 1 1 4 4 LEU CA C 4 54.620 54.620 56.959 -2.340 18222 1357 1 4 . 1 1 4 4 LEU CB C 4 41.680 41.680 41.318 0.362 18222 1358 1 4 . 1 1 4 4 LEU H H 4 8.220 8.220 8.800 -0.580 18222 1359 1 4 . 1 1 5 5 GLY N N 5 106.810 106.810 105.489 1.321 18222 1360 1 4 . 1 1 5 5 GLY CA C 5 45.800 45.800 45.367 0.433 18222 1361 1 4 . 1 1 5 5 GLY H H 5 8.030 8.030 8.101 -0.071 18222 1362 1 4 . 1 1 6 6 LEU N N 6 120.820 120.820 123.520 -2.700 18222 1363 1 4 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.170 -0.120 18222 1364 1 4 . 1 1 6 6 LEU CA C 6 55.990 55.990 58.095 -2.105 18222 1365 1 4 . 1 1 6 6 LEU CB C 6 40.800 40.800 41.963 -1.163 18222 1366 1 4 . 1 1 6 6 LEU H H 6 8.030 8.030 8.581 -0.551 18222 1367 1 4 . 1 1 7 7 SER N N 7 115.540 115.540 113.747 1.793 18222 1368 1 4 . 1 1 7 7 SER HA H 7 4.100 4.100 4.149 -0.049 18222 1369 1 4 . 1 1 7 7 SER CA C 7 60.580 60.580 61.822 -1.242 18222 1370 1 4 . 1 1 7 7 SER CB C 7 62.060 62.060 62.661 -0.601 18222 1371 1 4 . 1 1 7 7 SER H H 7 8.360 8.360 8.245 0.115 18222 1372 1 4 . 1 1 8 8 ARG N N 8 120.690 120.690 122.235 -1.545 18222 1373 1 4 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.065 0.095 18222 1374 1 4 . 1 1 8 8 ARG CA C 8 57.350 57.350 59.614 -2.264 18222 1375 1 4 . 1 1 8 8 ARG CB C 8 29.230 29.230 29.967 -0.737 18222 1376 1 4 . 1 1 8 8 ARG H H 8 7.830 7.830 8.322 -0.492 18222 1377 1 4 . 1 1 9 9 VAL N N 9 119.330 119.330 119.884 -0.554 18222 1378 1 4 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.557 0.613 18222 1379 1 4 . 1 1 9 9 VAL CA C 9 64.720 64.720 67.133 -2.413 18222 1380 1 4 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.652 -0.752 18222 1381 1 4 . 1 1 9 9 VAL H H 9 7.620 7.620 8.504 -0.884 18222 1382 1 4 . 1 1 10 10 ASP N N 10 119.520 119.520 119.465 0.055 18222 1383 1 4 . 1 1 10 10 ASP CA C 10 54.960 54.960 57.554 -2.594 18222 1384 1 4 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.651 -2.851 18222 1385 1 4 . 1 1 10 10 ASP H H 10 8.180 8.180 8.262 -0.082 18222 1386 1 4 . 1 1 11 11 ASP N N 11 121.550 121.550 120.755 0.795 18222 1387 1 4 . 1 1 11 11 ASP CA C 11 54.440 54.440 58.048 -3.608 18222 1388 1 4 . 1 1 11 11 ASP CB C 11 37.840 37.840 41.057 -3.217 18222 1389 1 4 . 1 1 11 11 ASP H H 11 7.950 7.950 8.152 -0.202 18222 1390 1 4 . 1 1 12 12 ALA N N 12 120.220 120.220 123.068 -2.848 18222 1391 1 4 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.435 -1.065 18222 1392 1 4 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.474 6.256 18222 1393 1 4 . 1 1 12 12 ALA H H 12 8.090 8.090 8.403 -0.313 18222 1394 1 4 . 1 1 13 13 VAL N N 13 116.910 116.910 118.547 -1.637 18222 1395 1 4 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.669 0.471 18222 1396 1 4 . 1 1 13 13 VAL CA C 13 64.900 64.900 65.256 -0.356 18222 1397 1 4 . 1 1 13 13 VAL CB C 13 31.000 31.000 30.809 0.191 18222 1398 1 4 . 1 1 13 13 VAL H H 13 7.980 7.980 8.173 -0.193 18222 1399 1 4 . 1 1 14 14 ALA N N 14 122.200 122.200 122.296 -0.096 18222 1400 1 4 . 1 1 14 14 ALA HA H 14 4.020 4.020 4.157 -0.137 18222 1401 1 4 . 1 1 14 14 ALA CA C 14 53.800 53.800 55.079 -1.279 18222 1402 1 4 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.302 -0.512 18222 1403 1 4 . 1 1 14 14 ALA H H 14 8.030 8.030 8.038 -0.008 18222 1404 1 4 . 1 1 15 15 ALA N N 15 118.600 118.600 119.657 -1.057 18222 1405 1 4 . 1 1 15 15 ALA CA C 15 53.230 53.230 54.073 -0.843 18222 1406 1 4 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.581 -0.571 18222 1407 1 4 . 1 1 15 15 ALA H H 15 7.530 7.530 8.451 -0.921 18222 1408 1 4 . 1 1 16 16 LYS N N 16 115.820 115.820 116.767 -0.947 18222 1409 1 4 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.231 -0.151 18222 1410 1 4 . 1 1 16 16 LYS CA C 16 55.670 55.670 56.883 -1.213 18222 1411 1 4 . 1 1 16 16 LYS CB C 16 32.640 32.640 33.159 -0.519 18222 1412 1 4 . 1 1 16 16 LYS H H 16 7.490 7.490 7.549 -0.059 18222 1413 1 4 . 1 1 17 17 HIS N N 17 116.790 116.790 118.814 -2.024 18222 1414 1 4 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.873 -0.773 18222 1415 1 4 . 1 1 17 17 HIS CA C 17 52.820 52.820 52.978 -0.158 18222 1416 1 4 . 1 1 17 17 HIS CB C 17 28.400 28.400 30.266 -1.866 18222 1417 1 4 . 1 1 17 17 HIS H H 17 8.130 8.130 7.673 0.458 18222 1418 1 4 . 1 1 18 18 PRO CA C 18 63.800 63.800 62.111 1.689 18222 1419 1 4 . 1 1 18 18 PRO CB C 18 30.800 30.800 32.460 -1.660 18222 1420 1 4 . 1 1 19 19 GLY N N 19 110.260 110.260 108.880 1.380 18222 1421 1 4 . 1 1 19 19 GLY CA C 19 45.490 45.490 45.411 0.079 18222 1422 1 4 . 1 1 19 19 GLY H H 19 8.730 8.730 7.869 0.861 18222 1423 1 4 . 1 1 20 20 LEU N N 20 122.650 122.650 122.464 0.186 18222 1424 1 4 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.189 -0.099 18222 1425 1 4 . 1 1 20 20 LEU CA C 20 57.060 57.060 57.562 -0.502 18222 1426 1 4 . 1 1 20 20 LEU H H 20 7.980 7.980 8.283 -0.303 18222 1427 1 4 . 1 1 21 21 GLY N N 21 107.000 107.000 107.472 -0.472 18222 1428 1 4 . 1 1 21 21 GLY CA C 21 46.710 46.710 46.799 -0.089 18222 1429 1 4 . 1 1 21 21 GLY H H 21 8.570 8.570 8.398 0.172 18222 1430 1 4 . 1 1 22 22 GLU N N 22 121.610 121.610 122.391 -0.781 18222 1431 1 4 . 1 1 22 22 GLU HA H 22 3.990 3.990 4.253 -0.263 18222 1432 1 4 . 1 1 22 22 GLU CA C 22 58.280 58.280 59.548 -1.268 18222 1433 1 4 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.715 -1.705 18222 1434 1 4 . 1 1 22 22 GLU H H 22 8.100 8.100 8.440 -0.340 18222 1435 1 4 . 1 1 23 23 TYR N N 23 120.870 120.870 119.514 1.356 18222 1436 1 4 . 1 1 23 23 TYR CA C 23 60.380 60.380 61.521 -1.141 18222 1437 1 4 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.187 -0.437 18222 1438 1 4 . 1 1 23 23 TYR H H 23 7.910 7.910 9.268 -1.358 18222 1439 1 4 . 1 1 24 24 ALA N N 24 121.420 121.420 121.780 -0.360 18222 1440 1 4 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.959 0.181 18222 1441 1 4 . 1 1 24 24 ALA CA C 24 54.260 54.260 54.710 -0.450 18222 1442 1 4 . 1 1 24 24 ALA H H 24 8.410 8.410 8.397 0.013 18222 1443 1 4 . 1 1 25 25 ALA N N 25 120.220 120.220 122.421 -2.201 18222 1444 1 4 . 1 1 25 25 ALA CA C 25 54.370 54.370 54.786 -0.416 18222 1445 1 4 . 1 1 25 25 ALA H H 25 8.090 8.090 8.125 -0.035 18222 1446 1 4 . 1 1 26 26 CYS N N 26 116.760 116.760 117.281 -0.521 18222 1447 1 4 . 1 1 26 26 CYS CA C 26 61.180 61.180 62.984 -1.804 18222 1448 1 4 . 1 1 26 26 CYS CB C 26 26.390 26.390 27.080 -0.690 18222 1449 1 4 . 1 1 26 26 CYS H H 26 7.950 7.950 8.599 -0.649 18222 1450 1 4 . 1 1 27 27 GLN N N 27 118.690 118.690 120.475 -1.785 18222 1451 1 4 . 1 1 27 27 GLN CA C 27 55.970 55.970 58.514 -2.545 18222 1452 1 4 . 1 1 27 27 GLN H H 27 8.060 8.060 8.342 -0.282 18222 1453 1 4 . 1 1 28 28 SER N N 28 115.490 115.490 116.298 -0.808 18222 1454 1 4 . 1 1 28 28 SER HA H 28 3.990 3.990 4.079 -0.089 18222 1455 1 4 . 1 1 28 28 SER CA C 28 61.110 61.110 61.542 -0.432 18222 1456 1 4 . 1 1 28 28 SER H H 28 7.980 7.980 8.140 -0.160 18222 1457 1 4 . 1 1 29 29 HIS N N 29 120.880 120.880 122.761 -1.881 18222 1458 1 4 . 1 1 29 29 HIS CA C 29 58.190 58.190 60.104 -1.914 18222 1459 1 4 . 1 1 29 29 HIS CB C 29 27.460 27.460 30.404 -2.944 18222 1460 1 4 . 1 1 29 29 HIS H H 29 8.180 8.180 8.301 -0.121 18222 1461 1 4 . 1 1 30 30 ALA N N 30 122.920 122.920 121.248 1.672 18222 1462 1 4 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.013 -0.452 18222 1463 1 4 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.200 -0.710 18222 1464 1 4 . 1 1 30 30 ALA H H 30 8.040 8.040 8.294 -0.254 18222 1465 1 4 . 1 1 31 31 PHE N N 31 119.340 119.340 119.630 -0.290 18222 1466 1 4 . 1 1 31 31 PHE CA C 31 60.370 60.370 60.991 -0.621 18222 1467 1 4 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.327 -0.807 18222 1468 1 4 . 1 1 31 31 PHE H H 31 8.230 8.230 8.199 0.031 18222 1469 1 4 . 1 1 32 32 MET N N 32 118.110 118.110 120.325 -2.215 18222 1470 1 4 . 1 1 32 32 MET HA H 32 4.050 4.050 3.932 0.118 18222 1471 1 4 . 1 1 32 32 MET CA C 32 58.280 58.280 59.709 -1.429 18222 1472 1 4 . 1 1 32 32 MET CB C 32 31.090 31.090 32.509 -1.419 18222 1473 1 4 . 1 1 32 32 MET H H 32 8.120 8.120 8.413 -0.293 18222 1474 1 4 . 1 1 33 33 LYS N N 33 119.040 119.040 118.654 0.386 18222 1475 1 4 . 1 1 33 33 LYS HA H 33 3.930 3.930 3.894 0.036 18222 1476 1 4 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.448 -0.408 18222 1477 1 4 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.257 -1.266 18222 1478 1 4 . 1 1 33 33 LYS H H 33 7.970 7.970 8.039 -0.069 18222 1479 1 4 . 1 1 34 34 GLY N N 34 108.840 108.840 107.388 1.452 18222 1480 1 4 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.174 -0.564 18222 1481 1 4 . 1 1 34 34 GLY H H 34 8.030 8.030 7.995 0.035 18222 1482 1 4 . 1 1 35 35 VAL N N 35 122.910 122.910 121.993 0.917 18222 1483 1 4 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.592 0.628 18222 1484 1 4 . 1 1 35 35 VAL CA C 35 66.310 66.310 65.241 1.069 18222 1485 1 4 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.535 -0.975 18222 1486 1 4 . 1 1 35 35 VAL H H 35 8.090 8.090 8.088 0.002 18222 1487 1 4 . 1 1 36 36 PHE N N 36 120.020 120.020 120.758 -0.738 18222 1488 1 4 . 1 1 36 36 PHE CA C 36 61.350 61.350 61.891 -0.541 18222 1489 1 4 . 1 1 36 36 PHE CB C 36 38.090 38.090 38.588 -0.498 18222 1490 1 4 . 1 1 36 36 PHE H H 36 8.350 8.350 8.279 0.071 18222 1491 1 4 . 1 1 37 37 THR N N 37 116.980 116.980 115.985 0.995 18222 1492 1 4 . 1 1 37 37 THR HA H 37 4.050 4.050 3.910 0.140 18222 1493 1 4 . 1 1 37 37 THR CA C 37 66.000 66.000 67.476 -1.476 18222 1494 1 4 . 1 1 37 37 THR CB C 37 68.270 68.270 68.849 -0.579 18222 1495 1 4 . 1 1 37 37 THR H H 37 8.520 8.520 8.229 0.291 18222 1496 1 4 . 1 1 38 38 PHE N N 38 123.090 123.090 120.480 2.610 18222 1497 1 4 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.144 0.216 18222 1498 1 4 . 1 1 38 38 PHE CA C 38 61.140 61.140 61.369 -0.229 18222 1499 1 4 . 1 1 38 38 PHE CB C 38 41.200 41.200 39.041 2.159 18222 1500 1 4 . 1 1 38 38 PHE H H 38 8.010 8.010 8.046 -0.036 18222 1501 1 4 . 1 1 39 39 VAL N N 39 117.280 117.280 119.606 -2.326 18222 1502 1 4 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.706 0.504 18222 1503 1 4 . 1 1 39 39 VAL CA C 39 66.000 66.000 66.038 -0.038 18222 1504 1 4 . 1 1 39 39 VAL CB C 39 30.860 30.860 30.741 0.119 18222 1505 1 4 . 1 1 39 39 VAL H H 39 8.530 8.530 8.738 -0.208 18222 1506 1 4 . 1 1 40 40 THR N N 40 109.470 109.470 114.567 -5.097 18222 1507 1 4 . 1 1 40 40 THR HA H 40 4.060 4.060 4.062 -0.002 18222 1508 1 4 . 1 1 40 40 THR CA C 40 63.390 63.390 65.392 -2.002 18222 1509 1 4 . 1 1 40 40 THR CB C 40 68.650 68.650 68.285 0.365 18222 1510 1 4 . 1 1 40 40 THR H H 40 7.700 7.700 8.041 -0.341 18222 1511 1 4 . 1 1 41 41 GLY N N 41 110.770 110.770 108.341 2.429 18222 1512 1 4 . 1 1 41 41 GLY CA C 41 45.580 45.580 45.469 0.111 18222 1513 1 4 . 1 1 41 41 GLY H H 41 7.700 7.700 7.896 -0.196 18222 1514 1 4 . 1 1 42 42 THR N N 42 114.520 114.520 116.683 -2.163 18222 1515 1 4 . 1 1 42 42 THR CA C 42 63.300 63.300 61.191 2.109 18222 1516 1 4 . 1 1 42 42 THR CB C 42 69.490 69.490 68.684 0.806 18222 1517 1 4 . 1 1 42 42 THR H H 42 7.720 7.720 7.602 0.118 18222 1518 1 4 . 1 1 43 43 GLY N N 43 109.540 109.540 109.820 -0.280 18222 1519 1 4 . 1 1 43 43 GLY CA C 43 46.250 46.250 46.598 -0.348 18222 1520 1 4 . 1 1 43 43 GLY H H 43 8.110 8.110 7.824 0.286 18222 1521 1 4 . 1 1 44 44 MET N N 44 120.240 120.240 121.061 -0.821 18222 1522 1 4 . 1 1 44 44 MET HA H 44 4.100 4.100 4.082 0.018 18222 1523 1 4 . 1 1 44 44 MET CA C 44 57.700 57.700 58.785 -1.085 18222 1524 1 4 . 1 1 44 44 MET CB C 44 32.030 32.030 32.473 -0.443 18222 1525 1 4 . 1 1 44 44 MET H H 44 7.730 7.730 7.993 -0.263 18222 1526 1 4 . 1 1 45 45 ALA N N 45 121.560 121.560 121.127 0.433 18222 1527 1 4 . 1 1 45 45 ALA CA C 45 54.440 54.440 55.116 -0.676 18222 1528 1 4 . 1 1 45 45 ALA CB C 45 17.400 17.400 17.908 -0.508 18222 1529 1 4 . 1 1 45 45 ALA H H 45 7.950 7.950 8.233 -0.283 18222 1530 1 4 . 1 1 46 46 PHE N N 46 118.260 118.260 119.485 -1.225 18222 1531 1 4 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.208 -0.278 18222 1532 1 4 . 1 1 46 46 PHE CA C 46 59.820 59.820 60.778 -0.958 18222 1533 1 4 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.960 -0.700 18222 1534 1 4 . 1 1 46 46 PHE H H 46 7.860 7.860 7.925 -0.065 18222 1535 1 4 . 1 1 47 47 GLY N N 47 107.300 107.300 107.762 -0.462 18222 1536 1 4 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.100 -0.540 18222 1537 1 4 . 1 1 47 47 GLY H H 47 8.200 8.200 8.462 -0.262 18222 1538 1 4 . 1 1 48 48 LEU N N 48 121.920 121.920 123.504 -1.584 18222 1539 1 4 . 1 1 48 48 LEU HA H 48 4.040 4.040 4.080 -0.040 18222 1540 1 4 . 1 1 48 48 LEU CA C 48 57.580 57.580 58.152 -0.572 18222 1541 1 4 . 1 1 48 48 LEU CB C 48 40.790 40.790 42.116 -1.326 18222 1542 1 4 . 1 1 48 48 LEU H H 48 8.180 8.180 8.391 -0.211 18222 1543 1 4 . 1 1 49 49 GLN N N 49 118.270 118.270 118.014 0.256 18222 1544 1 4 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.984 -0.154 18222 1545 1 4 . 1 1 49 49 GLN CA C 49 58.880 58.880 58.450 0.430 18222 1546 1 4 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.327 -1.087 18222 1547 1 4 . 1 1 49 49 GLN H H 49 8.080 8.080 8.308 -0.228 18222 1548 1 4 . 1 1 50 50 MET N N 50 117.630 117.630 121.364 -3.734 18222 1549 1 4 . 1 1 50 50 MET HA H 50 4.010 4.010 4.232 -0.222 18222 1550 1 4 . 1 1 50 50 MET CA C 50 57.730 57.730 58.408 -0.678 18222 1551 1 4 . 1 1 50 50 MET CB C 50 27.160 27.160 32.639 -5.479 18222 1552 1 4 . 1 1 50 50 MET H H 50 7.880 7.880 8.044 -0.164 18222 1553 1 4 . 1 1 51 51 PHE N N 51 119.550 119.550 119.083 0.467 18222 1554 1 4 . 1 1 51 51 PHE CA C 51 60.850 60.850 61.478 -0.628 18222 1555 1 4 . 1 1 51 51 PHE CB C 51 38.720 38.720 39.246 -0.526 18222 1556 1 4 . 1 1 51 51 PHE H H 51 7.890 7.890 8.304 -0.414 18222 1557 1 4 . 1 1 52 52 ILE N N 52 117.950 117.950 117.113 0.837 18222 1558 1 4 . 1 1 52 52 ILE HA H 52 4.050 4.050 4.005 0.045 18222 1559 1 4 . 1 1 52 52 ILE CA C 52 63.560 63.560 63.839 -0.279 18222 1560 1 4 . 1 1 52 52 ILE CB C 52 36.810 36.810 38.538 -1.728 18222 1561 1 4 . 1 1 52 52 ILE H H 52 8.110 8.110 8.102 0.008 18222 1562 1 4 . 1 1 53 53 GLN N N 53 117.360 117.360 120.330 -2.970 18222 1563 1 4 . 1 1 53 53 GLN CA C 53 57.200 57.200 58.649 -1.449 18222 1564 1 4 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.414 -0.544 18222 1565 1 4 . 1 1 53 53 GLN H H 53 7.930 7.930 8.172 -0.242 18222 1566 1 4 . 1 1 54 54 ARG N N 54 116.840 116.840 118.625 -1.785 18222 1567 1 4 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.218 -0.268 18222 1568 1 4 . 1 1 54 54 ARG CA C 54 56.480 56.480 58.058 -1.578 18222 1569 1 4 . 1 1 54 54 ARG CB C 54 28.970 28.970 30.024 -1.054 18222 1570 1 4 . 1 1 54 54 ARG H H 54 7.540 7.540 7.887 -0.347 18222 1571 1 4 . 1 1 55 55 LYS N N 55 117.900 117.900 117.350 0.550 18222 1572 1 4 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.265 -0.185 18222 1573 1 4 . 1 1 55 55 LYS CA C 55 55.030 55.030 57.496 -2.466 18222 1574 1 4 . 1 1 55 55 LYS CB C 55 32.010 32.010 32.892 -0.882 18222 1575 1 4 . 1 1 55 55 LYS H H 55 7.660 7.660 7.386 0.274 18222 1576 1 4 . 1 1 56 56 PHE N N 56 121.060 121.060 120.299 0.761 18222 1577 1 4 . 1 1 56 56 PHE CA C 56 55.190 55.190 55.575 -0.385 18222 1578 1 4 . 1 1 56 56 PHE CB C 56 38.970 38.970 39.873 -0.903 18222 1579 1 4 . 1 1 56 56 PHE H H 56 8.080 8.080 7.910 0.170 18222 1580 1 4 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.793 -1.403 18222 1581 1 4 . 1 1 57 57 PRO CB C 57 30.580 30.580 32.000 -1.420 18222 1582 1 4 . 1 1 58 58 TYR N N 58 120.240 120.240 120.237 0.003 18222 1583 1 4 . 1 1 58 58 TYR CA C 58 55.770 55.770 55.027 0.743 18222 1584 1 4 . 1 1 58 58 TYR CB C 58 40.220 40.220 39.828 0.392 18222 1585 1 4 . 1 1 58 58 TYR H H 58 7.700 7.700 7.928 -0.228 18222 1586 1 4 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.789 -1.659 18222 1587 1 4 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.221 1.119 18222 1588 1 4 . 1 1 60 60 LEU N N 60 122.210 122.210 114.228 7.982 18222 1589 1 4 . 1 1 60 60 LEU CA C 60 54.250 54.250 53.593 0.657 18222 1590 1 4 . 1 1 60 60 LEU CB C 60 41.470 41.470 43.434 -1.964 18222 1591 1 4 . 1 1 60 60 LEU H H 60 7.880 7.880 7.642 0.238 18222 1592 1 4 . 1 1 61 61 GLN N N 61 122.470 122.470 122.060 0.410 18222 1593 1 4 . 1 1 61 61 GLN CA C 61 54.170 54.170 55.002 -0.832 18222 1594 1 4 . 1 1 61 61 GLN H H 61 7.970 7.970 8.490 -0.520 18222 1595 1 4 . 1 1 62 62 TRP N N 62 124.590 124.590 123.711 0.879 18222 1596 1 4 . 1 1 62 62 TRP CA C 62 59.830 59.830 60.257 -0.427 18222 1597 1 4 . 1 1 62 62 TRP CB C 62 28.800 28.800 29.265 -0.465 18222 1598 1 4 . 1 1 62 62 TRP H H 62 8.240 8.240 8.904 -0.664 18222 1599 1 4 . 1 1 63 63 SER N N 63 113.320 113.320 114.740 -1.420 18222 1600 1 4 . 1 1 63 63 SER CA C 63 61.100 61.100 62.557 -1.457 18222 1601 1 4 . 1 1 63 63 SER H H 63 8.410 8.410 7.806 0.604 18222 1602 1 4 . 1 1 64 64 LEU N N 64 123.230 123.230 121.223 2.007 18222 1603 1 4 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.615 -0.735 18222 1604 1 4 . 1 1 64 64 LEU CB C 64 40.830 40.830 41.086 -0.256 18222 1605 1 4 . 1 1 64 64 LEU H H 64 7.230 7.230 8.066 -0.836 18222 1606 1 4 . 1 1 65 65 LEU N N 65 119.400 119.400 120.527 -1.127 18222 1607 1 4 . 1 1 65 65 LEU HA H 65 3.890 3.890 4.065 -0.175 18222 1608 1 4 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.114 -0.534 18222 1609 1 4 . 1 1 65 65 LEU CB C 65 40.710 40.710 41.864 -1.154 18222 1610 1 4 . 1 1 65 65 LEU H H 65 7.510 7.510 8.629 -1.119 18222 1611 1 4 . 1 1 66 66 VAL N N 66 116.950 116.950 119.269 -2.319 18222 1612 1 4 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.502 0.458 18222 1613 1 4 . 1 1 66 66 VAL CA C 66 66.260 66.260 66.686 -0.426 18222 1614 1 4 . 1 1 66 66 VAL CB C 66 30.570 30.570 31.318 -0.748 18222 1615 1 4 . 1 1 66 66 VAL H H 66 7.950 7.950 8.137 -0.187 18222 1616 1 4 . 1 1 67 67 ALA N N 67 120.650 120.650 122.487 -1.837 18222 1617 1 4 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.070 -0.070 18222 1618 1 4 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.146 -0.366 18222 1619 1 4 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.257 -0.817 18222 1620 1 4 . 1 1 67 67 ALA H H 67 7.450 7.450 7.880 -0.430 18222 1621 1 4 . 1 1 68 68 VAL N N 68 118.440 118.440 118.474 -0.034 18222 1622 1 4 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.536 0.214 18222 1623 1 4 . 1 1 68 68 VAL CA C 68 65.250 65.250 67.205 -1.955 18222 1624 1 4 . 1 1 68 68 VAL CB C 68 30.850 30.850 32.171 -1.321 18222 1625 1 4 . 1 1 68 68 VAL H H 68 7.960 7.960 7.817 0.143 18222 1626 1 4 . 1 1 69 69 VAL N N 69 120.800 120.800 119.827 0.973 18222 1627 1 4 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.529 0.691 18222 1628 1 4 . 1 1 69 69 VAL CA C 69 66.020 66.020 67.050 -1.030 18222 1629 1 4 . 1 1 69 69 VAL CB C 69 30.850 30.850 31.439 -0.589 18222 1630 1 4 . 1 1 69 69 VAL H H 69 8.080 8.080 8.432 -0.352 18222 1631 1 4 . 1 1 70 70 ALA N N 70 121.740 121.740 120.923 0.817 18222 1632 1 4 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.126 -0.206 18222 1633 1 4 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.470 -0.550 18222 1634 1 4 . 1 1 70 70 ALA CB C 70 17.620 17.620 18.040 -0.420 18222 1635 1 4 . 1 1 70 70 ALA H H 70 8.660 8.660 8.552 0.108 18222 1636 1 4 . 1 1 71 71 GLY N N 71 103.450 103.450 106.164 -2.714 18222 1637 1 4 . 1 1 71 71 GLY CA C 71 46.300 46.300 46.980 -0.680 18222 1638 1 4 . 1 1 71 71 GLY H H 71 8.010 8.010 8.184 -0.174 18222 1639 1 4 . 1 1 72 72 SER N N 72 118.160 118.160 117.462 0.698 18222 1640 1 4 . 1 1 72 72 SER CA C 72 61.260 61.260 61.536 -0.277 18222 1641 1 4 . 1 1 72 72 SER CB C 72 62.870 62.870 62.862 0.008 18222 1642 1 4 . 1 1 72 72 SER H H 72 7.870 7.870 7.838 0.032 18222 1643 1 4 . 1 1 73 73 VAL N N 73 121.340 121.340 122.755 -1.415 18222 1644 1 4 . 1 1 73 73 VAL CA C 73 65.750 65.750 66.046 -0.296 18222 1645 1 4 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.986 -1.246 18222 1646 1 4 . 1 1 73 73 VAL H H 73 8.050 8.050 8.044 0.006 18222 1647 1 4 . 1 1 74 74 VAL N N 74 118.680 118.680 119.182 -0.502 18222 1648 1 4 . 1 1 74 74 VAL CA C 74 65.770 65.770 66.961 -1.191 18222 1649 1 4 . 1 1 74 74 VAL CB C 74 30.740 30.740 31.391 -0.651 18222 1650 1 4 . 1 1 74 74 VAL H H 74 7.880 7.880 8.676 -0.796 18222 1651 1 4 . 1 1 75 75 SER N N 75 114.750 114.750 116.300 -1.550 18222 1652 1 4 . 1 1 75 75 SER HA H 75 4.100 4.100 4.244 -0.144 18222 1653 1 4 . 1 1 75 75 SER CA C 75 60.870 60.870 61.954 -1.084 18222 1654 1 4 . 1 1 75 75 SER CB C 75 62.340 62.340 62.879 -0.539 18222 1655 1 4 . 1 1 75 75 SER H H 75 7.870 7.870 7.937 -0.067 18222 1656 1 4 . 1 1 76 76 TYR N N 76 121.110 121.110 122.734 -1.624 18222 1657 1 4 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.103 -1.053 18222 1658 1 4 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.483 -0.503 18222 1659 1 4 . 1 1 76 76 TYR H H 76 7.860 7.860 8.594 -0.734 18222 1660 1 4 . 1 1 77 77 GLY N N 77 107.300 107.300 106.819 0.481 18222 1661 1 4 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.211 -0.651 18222 1662 1 4 . 1 1 77 77 GLY H H 77 8.200 8.200 8.726 -0.526 18222 1663 1 4 . 1 1 78 78 VAL N N 78 119.470 119.470 120.957 -1.487 18222 1664 1 4 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.731 0.439 18222 1665 1 4 . 1 1 78 78 VAL CA C 78 64.650 64.650 65.550 -0.900 18222 1666 1 4 . 1 1 78 78 VAL H H 78 8.140 8.140 8.625 -0.485 18222 1667 1 4 . 1 1 79 79 THR N N 79 112.100 112.100 116.727 -4.627 18222 1668 1 4 . 1 1 79 79 THR CA C 79 63.460 63.460 67.444 -3.984 18222 1669 1 4 . 1 1 79 79 THR CB C 79 68.650 68.650 68.645 0.005 18222 1670 1 4 . 1 1 79 79 THR H H 79 7.640 7.640 7.979 -0.339 18222 1671 1 4 . 1 1 80 80 ARG N N 80 120.770 120.770 121.787 -1.017 18222 1672 1 4 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.000 0.160 18222 1673 1 4 . 1 1 80 80 ARG CA C 80 56.790 56.790 59.768 -2.978 18222 1674 1 4 . 1 1 80 80 ARG CB C 80 29.430 29.430 30.157 -0.727 18222 1675 1 4 . 1 1 80 80 ARG H H 80 7.680 7.680 7.935 -0.255 18222 1676 1 4 . 1 1 81 81 VAL N N 81 118.370 118.370 119.444 -1.074 18222 1677 1 4 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.566 0.354 18222 1678 1 4 . 1 1 81 81 VAL CA C 81 63.340 63.340 67.391 -4.051 18222 1679 1 4 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.820 -0.560 18222 1680 1 4 . 1 1 81 81 VAL H H 81 7.730 7.730 8.239 -0.509 18222 1681 1 4 . 1 1 82 82 GLU N N 82 120.620 120.620 119.269 1.351 18222 1682 1 4 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.371 -3.051 18222 1683 1 4 . 1 1 82 82 GLU CB C 82 27.930 27.930 28.623 -0.694 18222 1684 1 4 . 1 1 82 82 GLU H H 82 7.920 7.920 8.523 -0.603 18222 1685 1 4 . 1 1 83 83 SER N N 83 116.240 116.240 117.066 -0.826 18222 1686 1 4 . 1 1 83 83 SER CA C 83 59.250 59.250 62.097 -2.847 18222 1687 1 4 . 1 1 83 83 SER CB C 83 63.160 63.160 62.897 0.263 18222 1688 1 4 . 1 1 83 83 SER H H 83 7.960 7.960 7.840 0.120 18222 1689 1 4 . 1 1 84 84 GLU N N 84 123.280 123.280 121.272 2.008 18222 1690 1 4 . 1 1 84 84 GLU HA H 84 4.080 4.080 3.938 0.142 18222 1691 1 4 . 1 1 84 84 GLU CA C 84 57.860 57.860 59.546 -1.686 18222 1692 1 4 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.611 -1.421 18222 1693 1 4 . 1 1 84 84 GLU H H 84 8.470 8.470 7.966 0.504 18222 1694 1 4 . 1 1 85 85 LYS N N 85 118.650 118.650 119.222 -0.572 18222 1695 1 4 . 1 1 85 85 LYS HA H 85 4.100 4.100 4.003 0.097 18222 1696 1 4 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.133 -1.353 18222 1697 1 4 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.264 -0.884 18222 1698 1 4 . 1 1 85 85 LYS H H 85 7.940 7.940 8.074 -0.134 18222 1699 1 4 . 1 1 86 86 CYS N N 86 117.070 117.070 118.314 -1.244 18222 1700 1 4 . 1 1 86 86 CYS CA C 86 60.910 60.910 63.493 -2.583 18222 1701 1 4 . 1 1 86 86 CYS CB C 86 26.740 26.740 26.443 0.297 18222 1702 1 4 . 1 1 86 86 CYS H H 86 7.840 7.840 7.981 -0.141 18222 1703 1 4 . 1 1 87 87 ASN N N 87 119.370 119.370 118.934 0.436 18222 1704 1 4 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.421 -0.291 18222 1705 1 4 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.924 -1.174 18222 1706 1 4 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.483 -0.433 18222 1707 1 4 . 1 1 87 87 ASN H H 87 8.110 8.110 8.270 -0.160 18222 1708 1 4 . 1 1 88 88 ASN N N 88 117.570 117.570 119.175 -1.605 18222 1709 1 4 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.443 -0.163 18222 1710 1 4 . 1 1 88 88 ASN CA C 88 55.190 55.190 56.247 -1.057 18222 1711 1 4 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.394 -0.994 18222 1712 1 4 . 1 1 88 88 ASN H H 88 8.280 8.280 8.284 -0.004 18222 1713 1 4 . 1 1 89 89 LEU N N 89 121.940 121.940 122.457 -0.517 18222 1714 1 4 . 1 1 89 89 LEU HA H 89 4.070 4.070 3.825 0.245 18222 1715 1 4 . 1 1 89 89 LEU CA C 89 57.580 57.580 58.793 -1.213 18222 1716 1 4 . 1 1 89 89 LEU CB C 89 40.490 40.490 41.992 -1.502 18222 1717 1 4 . 1 1 89 89 LEU H H 89 7.790 7.790 8.303 -0.513 18222 1718 1 4 . 1 1 90 90 TRP N N 90 119.220 119.220 120.160 -0.940 18222 1719 1 4 . 1 1 90 90 TRP CA C 90 59.120 59.120 60.500 -1.380 18222 1720 1 4 . 1 1 90 90 TRP CB C 90 28.800 28.800 29.950 -1.150 18222 1721 1 4 . 1 1 90 90 TRP H H 90 7.850 7.850 8.220 -0.370 18222 1722 1 4 . 1 1 91 91 LEU N N 91 117.870 117.870 119.773 -1.903 18222 1723 1 4 . 1 1 91 91 LEU CA C 91 57.300 57.300 58.730 -1.430 18222 1724 1 4 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.939 -1.329 18222 1725 1 4 . 1 1 91 91 LEU H H 91 7.920 7.920 8.357 -0.437 18222 1726 1 4 . 1 1 92 92 PHE N N 92 121.280 121.280 118.039 3.241 18222 1727 1 4 . 1 1 92 92 PHE CA C 92 60.390 60.390 59.839 0.551 18222 1728 1 4 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.322 -0.342 18222 1729 1 4 . 1 1 92 92 PHE H H 92 7.860 7.860 8.643 -0.783 18222 1730 1 4 . 1 1 93 93 LEU N N 93 119.860 119.860 120.470 -0.610 18222 1731 1 4 . 1 1 93 93 LEU CA C 93 56.860 56.860 57.307 -0.447 18222 1732 1 4 . 1 1 93 93 LEU CB C 93 40.550 40.550 41.221 -0.671 18222 1733 1 4 . 1 1 93 93 LEU H H 93 7.980 7.980 8.547 -0.567 18222 1734 1 4 . 1 1 94 94 GLU N N 94 114.660 114.660 116.365 -1.705 18222 1735 1 4 . 1 1 94 94 GLU HA H 94 3.810 3.810 4.061 -0.251 18222 1736 1 4 . 1 1 94 94 GLU CA C 94 57.210 57.210 58.330 -1.120 18222 1737 1 4 . 1 1 94 94 GLU CB C 94 28.470 28.470 29.598 -1.128 18222 1738 1 4 . 1 1 94 94 GLU H H 94 7.890 7.890 8.122 -0.232 18222 1739 1 4 . 1 1 95 95 THR N N 95 108.260 108.260 111.713 -3.453 18222 1740 1 4 . 1 1 95 95 THR CA C 95 62.150 62.150 62.223 -0.073 18222 1741 1 4 . 1 1 95 95 THR CB C 95 70.810 70.810 69.711 1.099 18222 1742 1 4 . 1 1 95 95 THR H H 95 7.690 7.690 7.444 0.246 18222 1743 1 4 . 1 1 96 96 GLY N N 96 112.220 112.220 108.715 3.505 18222 1744 1 4 . 1 1 96 96 GLY CA C 96 45.410 45.410 44.681 0.729 18222 1745 1 4 . 1 1 96 96 GLY H H 96 8.240 8.240 7.562 0.678 18222 1746 1 4 . 1 1 97 97 GLN N N 97 117.950 117.950 119.683 -1.733 18222 1747 1 4 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.057 0.143 18222 1748 1 4 . 1 1 97 97 GLN CA C 97 54.430 54.430 56.678 -2.248 18222 1749 1 4 . 1 1 97 97 GLN CB C 97 29.910 29.910 29.404 0.506 18222 1750 1 4 . 1 1 97 97 GLN H H 97 7.640 7.640 8.103 -0.463 18222 1751 1 4 . 1 1 98 98 LEU N N 98 123.810 123.810 122.178 1.632 18222 1752 1 4 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.214 0.146 18222 1753 1 4 . 1 1 98 98 LEU CA C 98 52.650 52.650 55.261 -2.611 18222 1754 1 4 . 1 1 98 98 LEU CB C 98 40.460 40.460 41.474 -1.014 18222 1755 1 4 . 1 1 98 98 LEU H H 98 8.270 8.270 8.429 -0.159 18222 1756 1 4 . 1 1 99 99 PRO CA C 99 63.180 63.180 62.478 0.702 18222 1757 1 4 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.393 -1.553 18222 1758 1 4 . 1 1 100 100 LYS N N 100 120.630 120.630 120.097 0.533 18222 1759 1 4 . 1 1 100 100 LYS CA C 100 55.730 55.730 55.607 0.123 18222 1760 1 4 . 1 1 100 100 LYS CB C 100 32.280 32.280 34.610 -2.330 18222 1761 1 4 . 1 1 100 100 LYS H H 100 8.090 8.090 8.184 -0.094 18222 1762 1 4 . 1 1 101 101 ASP N N 101 120.920 120.920 123.989 -3.069 18222 1763 1 4 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.581 -0.391 18222 1764 1 4 . 1 1 101 101 ASP CA C 101 54.000 54.000 55.366 -1.366 18222 1765 1 4 . 1 1 101 101 ASP CB C 101 40.330 40.330 41.171 -0.841 18222 1766 1 4 . 1 1 101 101 ASP H H 101 8.190 8.190 8.269 -0.079 18222 1767 1 4 . 1 1 102 102 ARG N N 102 122.210 122.210 122.915 -0.705 18222 1768 1 4 . 1 1 102 102 ARG CA C 102 55.590 55.590 55.349 0.241 18222 1769 1 4 . 1 1 102 102 ARG CB C 102 29.630 29.630 32.280 -2.650 18222 1770 1 4 . 1 1 102 102 ARG H H 102 8.130 8.130 8.577 -0.447 18222 1771 1 4 . 1 1 103 103 SER N N 103 117.230 117.230 115.570 1.660 18222 1772 1 4 . 1 1 103 103 SER HA H 103 4.280 4.280 5.034 -0.754 18222 1773 1 4 . 1 1 103 103 SER CA C 103 58.470 58.470 57.848 0.622 18222 1774 1 4 . 1 1 103 103 SER CB C 103 63.080 63.080 65.368 -2.288 18222 1775 1 4 . 1 1 103 103 SER H H 103 8.290 8.290 8.579 -0.289 18222 1776 1 4 . 1 1 104 104 THR N N 104 115.430 115.430 116.801 -1.371 18222 1777 1 4 . 1 1 104 104 THR CA C 104 61.570 61.570 62.252 -0.682 18222 1778 1 4 . 1 1 104 104 THR CB C 104 69.030 69.030 70.289 -1.259 18222 1779 1 4 . 1 1 104 104 THR H H 104 8.020 8.020 8.347 -0.327 18222 1780 1 4 . 1 1 105 105 ASP N N 105 122.780 122.780 122.299 0.481 18222 1781 1 4 . 1 1 105 105 ASP CA C 105 54.210 54.210 53.541 0.669 18222 1782 1 4 . 1 1 105 105 ASP CB C 105 40.380 40.380 42.077 -1.697 18222 1783 1 4 . 1 1 105 105 ASP H H 105 8.120 8.120 8.431 -0.311 18222 1784 1 4 . 1 1 106 106 GLN N N 106 120.960 120.960 119.115 1.845 18222 1785 1 4 . 1 1 106 106 GLN CA C 106 55.420 55.420 55.317 0.103 18222 1786 1 4 . 1 1 106 106 GLN CB C 106 28.310 28.310 29.690 -1.380 18222 1787 1 4 . 1 1 106 106 GLN H H 106 8.140 8.140 8.353 -0.213 18222 1788 1 4 . 1 1 107 107 ARG N N 107 123.010 123.010 119.882 3.128 18222 1789 1 4 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.571 -0.361 18222 1790 1 4 . 1 1 107 107 ARG CA C 107 55.560 55.560 55.682 -0.122 18222 1791 1 4 . 1 1 107 107 ARG CB C 107 29.920 29.920 31.427 -1.507 18222 1792 1 4 . 1 1 107 107 ARG H H 107 8.180 8.180 8.501 -0.321 18222 1793 1 5 . 1 1 2 2 VAL N N 2 121.590 121.590 123.466 -1.876 18222 1794 1 5 . 1 1 2 2 VAL CA C 2 61.600 61.600 62.546 -0.946 18222 1795 1 5 . 1 1 2 2 VAL CB C 2 31.900 31.900 32.820 -0.920 18222 1796 1 5 . 1 1 2 2 VAL H H 2 8.010 8.010 8.406 -0.396 18222 1797 1 5 . 1 1 3 3 ASN N N 3 122.520 122.520 124.561 -2.041 18222 1798 1 5 . 1 1 3 3 ASN HA H 3 4.020 4.020 4.794 -0.774 18222 1799 1 5 . 1 1 3 3 ASN CA C 3 52.640 52.640 53.362 -0.722 18222 1800 1 5 . 1 1 3 3 ASN CB C 3 38.330 38.330 38.865 -0.535 18222 1801 1 5 . 1 1 3 3 ASN H H 3 8.360 8.360 8.668 -0.308 18222 1802 1 5 . 1 1 4 4 LEU N N 4 123.830 123.830 119.412 4.418 18222 1803 1 5 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.043 0.177 18222 1804 1 5 . 1 1 4 4 LEU CA C 4 54.620 54.620 56.776 -2.156 18222 1805 1 5 . 1 1 4 4 LEU CB C 4 41.680 41.680 41.618 0.062 18222 1806 1 5 . 1 1 4 4 LEU H H 4 8.220 8.220 8.324 -0.104 18222 1807 1 5 . 1 1 5 5 GLY N N 5 106.810 106.810 106.453 0.357 18222 1808 1 5 . 1 1 5 5 GLY CA C 5 45.800 45.800 45.015 0.785 18222 1809 1 5 . 1 1 5 5 GLY H H 5 8.030 8.030 8.201 -0.171 18222 1810 1 5 . 1 1 6 6 LEU N N 6 120.820 120.820 123.513 -2.693 18222 1811 1 5 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.454 -0.404 18222 1812 1 5 . 1 1 6 6 LEU CA C 6 55.990 55.990 55.219 0.771 18222 1813 1 5 . 1 1 6 6 LEU CB C 6 40.800 40.800 42.545 -1.745 18222 1814 1 5 . 1 1 6 6 LEU H H 6 8.030 8.030 8.341 -0.311 18222 1815 1 5 . 1 1 7 7 SER N N 7 115.540 115.540 116.702 -1.162 18222 1816 1 5 . 1 1 7 7 SER HA H 7 4.100 4.100 4.290 -0.190 18222 1817 1 5 . 1 1 7 7 SER CA C 7 60.580 60.580 61.835 -1.255 18222 1818 1 5 . 1 1 7 7 SER CB C 7 62.060 62.060 62.815 -0.755 18222 1819 1 5 . 1 1 7 7 SER H H 7 8.360 8.360 8.469 -0.109 18222 1820 1 5 . 1 1 8 8 ARG N N 8 120.690 120.690 120.311 0.379 18222 1821 1 5 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.118 0.042 18222 1822 1 5 . 1 1 8 8 ARG CA C 8 57.350 57.350 59.431 -2.080 18222 1823 1 5 . 1 1 8 8 ARG CB C 8 29.230 29.230 30.029 -0.799 18222 1824 1 5 . 1 1 8 8 ARG H H 8 7.830 7.830 8.385 -0.555 18222 1825 1 5 . 1 1 9 9 VAL N N 9 119.330 119.330 119.583 -0.253 18222 1826 1 5 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.737 0.433 18222 1827 1 5 . 1 1 9 9 VAL CA C 9 64.720 64.720 66.885 -2.165 18222 1828 1 5 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.755 -0.855 18222 1829 1 5 . 1 1 9 9 VAL H H 9 7.620 7.620 7.758 -0.138 18222 1830 1 5 . 1 1 10 10 ASP N N 10 119.520 119.520 119.555 -0.035 18222 1831 1 5 . 1 1 10 10 ASP CA C 10 54.960 54.960 57.534 -2.574 18222 1832 1 5 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.800 -3.000 18222 1833 1 5 . 1 1 10 10 ASP H H 10 8.180 8.180 8.124 0.056 18222 1834 1 5 . 1 1 11 11 ASP N N 11 121.550 121.550 120.024 1.526 18222 1835 1 5 . 1 1 11 11 ASP CA C 11 54.440 54.440 56.761 -2.321 18222 1836 1 5 . 1 1 11 11 ASP CB C 11 37.840 37.840 40.842 -3.002 18222 1837 1 5 . 1 1 11 11 ASP H H 11 7.950 7.950 8.246 -0.296 18222 1838 1 5 . 1 1 12 12 ALA N N 12 120.220 120.220 122.836 -2.616 18222 1839 1 5 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.175 -0.805 18222 1840 1 5 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.506 6.224 18222 1841 1 5 . 1 1 12 12 ALA H H 12 8.090 8.090 7.808 0.282 18222 1842 1 5 . 1 1 13 13 VAL N N 13 116.910 116.910 118.437 -1.527 18222 1843 1 5 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.738 0.402 18222 1844 1 5 . 1 1 13 13 VAL CA C 13 64.900 64.900 65.206 -0.306 18222 1845 1 5 . 1 1 13 13 VAL CB C 13 31.000 31.000 31.737 -0.737 18222 1846 1 5 . 1 1 13 13 VAL H H 13 7.980 7.980 8.204 -0.224 18222 1847 1 5 . 1 1 14 14 ALA N N 14 122.200 122.200 122.986 -0.786 18222 1848 1 5 . 1 1 14 14 ALA HA H 14 4.020 4.020 4.015 0.005 18222 1849 1 5 . 1 1 14 14 ALA CA C 14 53.800 53.800 55.022 -1.222 18222 1850 1 5 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.481 -0.691 18222 1851 1 5 . 1 1 14 14 ALA H H 14 8.030 8.030 7.805 0.225 18222 1852 1 5 . 1 1 15 15 ALA N N 15 118.600 118.600 118.444 0.156 18222 1853 1 5 . 1 1 15 15 ALA CA C 15 53.230 53.230 54.023 -0.793 18222 1854 1 5 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.805 -0.795 18222 1855 1 5 . 1 1 15 15 ALA H H 15 7.530 7.530 7.754 -0.224 18222 1856 1 5 . 1 1 16 16 LYS N N 16 115.820 115.820 117.171 -1.351 18222 1857 1 5 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.246 -0.166 18222 1858 1 5 . 1 1 16 16 LYS CA C 16 55.670 55.670 57.128 -1.458 18222 1859 1 5 . 1 1 16 16 LYS CB C 16 32.640 32.640 33.027 -0.387 18222 1860 1 5 . 1 1 16 16 LYS H H 16 7.490 7.490 7.674 -0.184 18222 1861 1 5 . 1 1 17 17 HIS N N 17 116.790 116.790 119.064 -2.274 18222 1862 1 5 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.770 -0.670 18222 1863 1 5 . 1 1 17 17 HIS CA C 17 52.820 52.820 54.413 -1.593 18222 1864 1 5 . 1 1 17 17 HIS CB C 17 28.400 28.400 30.862 -2.462 18222 1865 1 5 . 1 1 17 17 HIS H H 17 8.130 8.130 7.882 0.248 18222 1866 1 5 . 1 1 18 18 PRO CA C 18 63.800 63.800 63.084 0.716 18222 1867 1 5 . 1 1 18 18 PRO CB C 18 30.800 30.800 31.842 -1.042 18222 1868 1 5 . 1 1 19 19 GLY N N 19 110.260 110.260 111.102 -0.842 18222 1869 1 5 . 1 1 19 19 GLY CA C 19 45.490 45.490 45.461 0.029 18222 1870 1 5 . 1 1 19 19 GLY H H 19 8.730 8.730 8.304 0.426 18222 1871 1 5 . 1 1 20 20 LEU N N 20 122.650 122.650 122.311 0.339 18222 1872 1 5 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.192 -0.102 18222 1873 1 5 . 1 1 20 20 LEU CA C 20 57.060 57.060 57.966 -0.906 18222 1874 1 5 . 1 1 20 20 LEU H H 20 7.980 7.980 8.200 -0.220 18222 1875 1 5 . 1 1 21 21 GLY N N 21 107.000 107.000 106.557 0.443 18222 1876 1 5 . 1 1 21 21 GLY CA C 21 46.710 46.710 47.338 -0.628 18222 1877 1 5 . 1 1 21 21 GLY H H 21 8.570 8.570 8.642 -0.072 18222 1878 1 5 . 1 1 22 22 GLU N N 22 121.610 121.610 121.835 -0.225 18222 1879 1 5 . 1 1 22 22 GLU HA H 22 3.990 3.990 4.127 -0.137 18222 1880 1 5 . 1 1 22 22 GLU CA C 22 58.280 58.280 59.460 -1.180 18222 1881 1 5 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.384 -1.375 18222 1882 1 5 . 1 1 22 22 GLU H H 22 8.100 8.100 8.353 -0.253 18222 1883 1 5 . 1 1 23 23 TYR N N 23 120.870 120.870 121.120 -0.250 18222 1884 1 5 . 1 1 23 23 TYR CA C 23 60.380 60.380 61.558 -1.178 18222 1885 1 5 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.514 -0.764 18222 1886 1 5 . 1 1 23 23 TYR H H 23 7.910 7.910 7.852 0.058 18222 1887 1 5 . 1 1 24 24 ALA N N 24 121.420 121.420 121.014 0.406 18222 1888 1 5 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.988 0.152 18222 1889 1 5 . 1 1 24 24 ALA CA C 24 54.260 54.260 55.294 -1.034 18222 1890 1 5 . 1 1 24 24 ALA H H 24 8.410 8.410 8.970 -0.560 18222 1891 1 5 . 1 1 25 25 ALA N N 25 120.220 120.220 122.371 -2.151 18222 1892 1 5 . 1 1 25 25 ALA CA C 25 54.370 54.370 54.950 -0.580 18222 1893 1 5 . 1 1 25 25 ALA H H 25 8.090 8.090 8.319 -0.229 18222 1894 1 5 . 1 1 26 26 CYS N N 26 116.760 116.760 117.361 -0.601 18222 1895 1 5 . 1 1 26 26 CYS CA C 26 61.180 61.180 62.541 -1.361 18222 1896 1 5 . 1 1 26 26 CYS CB C 26 26.390 26.390 27.148 -0.758 18222 1897 1 5 . 1 1 26 26 CYS H H 26 7.950 7.950 8.129 -0.179 18222 1898 1 5 . 1 1 27 27 GLN N N 27 118.690 118.690 120.719 -2.029 18222 1899 1 5 . 1 1 27 27 GLN CA C 27 55.970 55.970 58.787 -2.817 18222 1900 1 5 . 1 1 27 27 GLN H H 27 8.060 8.060 8.148 -0.088 18222 1901 1 5 . 1 1 28 28 SER N N 28 115.490 115.490 115.566 -0.076 18222 1902 1 5 . 1 1 28 28 SER HA H 28 3.990 3.990 4.205 -0.215 18222 1903 1 5 . 1 1 28 28 SER CA C 28 61.110 61.110 62.327 -1.217 18222 1904 1 5 . 1 1 28 28 SER H H 28 7.980 7.980 8.495 -0.515 18222 1905 1 5 . 1 1 29 29 HIS N N 29 120.880 120.880 120.758 0.122 18222 1906 1 5 . 1 1 29 29 HIS CA C 29 58.190 58.190 59.602 -1.413 18222 1907 1 5 . 1 1 29 29 HIS CB C 29 27.460 27.460 30.213 -2.753 18222 1908 1 5 . 1 1 29 29 HIS H H 29 8.180 8.180 8.310 -0.130 18222 1909 1 5 . 1 1 30 30 ALA N N 30 122.920 122.920 122.709 0.211 18222 1910 1 5 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.354 -0.794 18222 1911 1 5 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.328 -0.838 18222 1912 1 5 . 1 1 30 30 ALA H H 30 8.040 8.040 8.055 -0.015 18222 1913 1 5 . 1 1 31 31 PHE N N 31 119.340 119.340 119.825 -0.485 18222 1914 1 5 . 1 1 31 31 PHE CA C 31 60.370 60.370 61.713 -1.343 18222 1915 1 5 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.284 -0.764 18222 1916 1 5 . 1 1 31 31 PHE H H 31 8.230 8.230 8.337 -0.107 18222 1917 1 5 . 1 1 32 32 MET N N 32 118.110 118.110 118.645 -0.535 18222 1918 1 5 . 1 1 32 32 MET HA H 32 4.050 4.050 3.875 0.175 18222 1919 1 5 . 1 1 32 32 MET CA C 32 58.280 58.280 58.089 0.191 18222 1920 1 5 . 1 1 32 32 MET CB C 32 31.090 31.090 31.913 -0.823 18222 1921 1 5 . 1 1 32 32 MET H H 32 8.120 8.120 8.682 -0.562 18222 1922 1 5 . 1 1 33 33 LYS N N 33 119.040 119.040 119.603 -0.563 18222 1923 1 5 . 1 1 33 33 LYS HA H 33 3.930 3.930 4.186 -0.256 18222 1924 1 5 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.914 -0.875 18222 1925 1 5 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.509 -1.519 18222 1926 1 5 . 1 1 33 33 LYS H H 33 7.970 7.970 8.374 -0.404 18222 1927 1 5 . 1 1 34 34 GLY N N 34 108.840 108.840 107.944 0.896 18222 1928 1 5 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.186 -0.576 18222 1929 1 5 . 1 1 34 34 GLY H H 34 8.030 8.030 8.177 -0.147 18222 1930 1 5 . 1 1 35 35 VAL N N 35 122.910 122.910 121.974 0.936 18222 1931 1 5 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.609 0.611 18222 1932 1 5 . 1 1 35 35 VAL CA C 35 66.310 66.310 65.244 1.066 18222 1933 1 5 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.634 -1.074 18222 1934 1 5 . 1 1 35 35 VAL H H 35 8.090 8.090 7.850 0.240 18222 1935 1 5 . 1 1 36 36 PHE N N 36 120.020 120.020 121.198 -1.178 18222 1936 1 5 . 1 1 36 36 PHE CA C 36 61.350 61.350 61.324 0.026 18222 1937 1 5 . 1 1 36 36 PHE CB C 36 38.090 38.090 38.628 -0.538 18222 1938 1 5 . 1 1 36 36 PHE H H 36 8.350 8.350 8.095 0.255 18222 1939 1 5 . 1 1 37 37 THR N N 37 116.980 116.980 116.629 0.351 18222 1940 1 5 . 1 1 37 37 THR HA H 37 4.050 4.050 3.329 0.721 18222 1941 1 5 . 1 1 37 37 THR CA C 37 66.000 66.000 66.601 -0.601 18222 1942 1 5 . 1 1 37 37 THR CB C 37 68.270 68.270 68.667 -0.397 18222 1943 1 5 . 1 1 37 37 THR H H 37 8.520 8.520 8.310 0.210 18222 1944 1 5 . 1 1 38 38 PHE N N 38 123.090 123.090 122.282 0.808 18222 1945 1 5 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.042 0.318 18222 1946 1 5 . 1 1 38 38 PHE CA C 38 61.140 61.140 61.624 -0.484 18222 1947 1 5 . 1 1 38 38 PHE CB C 38 41.200 41.200 38.908 2.292 18222 1948 1 5 . 1 1 38 38 PHE H H 38 8.010 8.010 8.105 -0.095 18222 1949 1 5 . 1 1 39 39 VAL N N 39 117.280 117.280 119.922 -2.642 18222 1950 1 5 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.769 0.441 18222 1951 1 5 . 1 1 39 39 VAL CA C 39 66.000 66.000 65.826 0.174 18222 1952 1 5 . 1 1 39 39 VAL CB C 39 30.860 30.860 31.042 -0.182 18222 1953 1 5 . 1 1 39 39 VAL H H 39 8.530 8.530 8.636 -0.106 18222 1954 1 5 . 1 1 40 40 THR N N 40 109.470 109.470 116.163 -6.693 18222 1955 1 5 . 1 1 40 40 THR HA H 40 4.060 4.060 3.979 0.081 18222 1956 1 5 . 1 1 40 40 THR CA C 40 63.390 63.390 66.064 -2.674 18222 1957 1 5 . 1 1 40 40 THR CB C 40 68.650 68.650 67.573 1.077 18222 1958 1 5 . 1 1 40 40 THR H H 40 7.700 7.700 8.123 -0.423 18222 1959 1 5 . 1 1 41 41 GLY N N 41 110.770 110.770 108.248 2.522 18222 1960 1 5 . 1 1 41 41 GLY CA C 41 45.580 45.580 46.690 -1.110 18222 1961 1 5 . 1 1 41 41 GLY H H 41 7.700 7.700 7.525 0.175 18222 1962 1 5 . 1 1 42 42 THR N N 42 114.520 114.520 116.398 -1.878 18222 1963 1 5 . 1 1 42 42 THR CA C 42 63.300 63.300 60.941 2.359 18222 1964 1 5 . 1 1 42 42 THR CB C 42 69.490 69.490 67.924 1.566 18222 1965 1 5 . 1 1 42 42 THR H H 42 7.720 7.720 7.870 -0.150 18222 1966 1 5 . 1 1 43 43 GLY N N 43 109.540 109.540 109.439 0.101 18222 1967 1 5 . 1 1 43 43 GLY CA C 43 46.250 46.250 46.625 -0.375 18222 1968 1 5 . 1 1 43 43 GLY H H 43 8.110 8.110 8.243 -0.133 18222 1969 1 5 . 1 1 44 44 MET N N 44 120.240 120.240 120.867 -0.627 18222 1970 1 5 . 1 1 44 44 MET HA H 44 4.100 4.100 3.966 0.134 18222 1971 1 5 . 1 1 44 44 MET CA C 44 57.700 57.700 59.270 -1.570 18222 1972 1 5 . 1 1 44 44 MET CB C 44 32.030 32.030 32.338 -0.308 18222 1973 1 5 . 1 1 44 44 MET H H 44 7.730 7.730 8.076 -0.346 18222 1974 1 5 . 1 1 45 45 ALA N N 45 121.560 121.560 121.088 0.472 18222 1975 1 5 . 1 1 45 45 ALA CA C 45 54.440 54.440 54.979 -0.539 18222 1976 1 5 . 1 1 45 45 ALA CB C 45 17.400 17.400 17.988 -0.588 18222 1977 1 5 . 1 1 45 45 ALA H H 45 7.950 7.950 7.907 0.043 18222 1978 1 5 . 1 1 46 46 PHE N N 46 118.260 118.260 119.578 -1.318 18222 1979 1 5 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.281 -0.351 18222 1980 1 5 . 1 1 46 46 PHE CA C 46 59.820 59.820 59.756 0.064 18222 1981 1 5 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.790 -0.530 18222 1982 1 5 . 1 1 46 46 PHE H H 46 7.860 7.860 8.198 -0.338 18222 1983 1 5 . 1 1 47 47 GLY N N 47 107.300 107.300 108.602 -1.302 18222 1984 1 5 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.264 -0.704 18222 1985 1 5 . 1 1 47 47 GLY H H 47 8.200 8.200 8.609 -0.409 18222 1986 1 5 . 1 1 48 48 LEU N N 48 121.920 121.920 123.112 -1.192 18222 1987 1 5 . 1 1 48 48 LEU HA H 48 4.040 4.040 4.075 -0.035 18222 1988 1 5 . 1 1 48 48 LEU CA C 48 57.580 57.580 57.913 -0.333 18222 1989 1 5 . 1 1 48 48 LEU CB C 48 40.790 40.790 41.913 -1.123 18222 1990 1 5 . 1 1 48 48 LEU H H 48 8.180 8.180 8.317 -0.137 18222 1991 1 5 . 1 1 49 49 GLN N N 49 118.270 118.270 118.365 -0.095 18222 1992 1 5 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.975 -0.145 18222 1993 1 5 . 1 1 49 49 GLN CA C 49 58.880 58.880 59.425 -0.545 18222 1994 1 5 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.513 -1.273 18222 1995 1 5 . 1 1 49 49 GLN H H 49 8.080 8.080 8.185 -0.105 18222 1996 1 5 . 1 1 50 50 MET N N 50 117.630 117.630 120.262 -2.632 18222 1997 1 5 . 1 1 50 50 MET HA H 50 4.010 4.010 4.201 -0.191 18222 1998 1 5 . 1 1 50 50 MET CA C 50 57.730 57.730 58.989 -1.259 18222 1999 1 5 . 1 1 50 50 MET CB C 50 27.160 27.160 32.812 -5.652 18222 2000 1 5 . 1 1 50 50 MET H H 50 7.880 7.880 8.322 -0.443 18222 2001 1 5 . 1 1 51 51 PHE N N 51 119.550 119.550 119.959 -0.409 18222 2002 1 5 . 1 1 51 51 PHE CA C 51 60.850 60.850 61.515 -0.665 18222 2003 1 5 . 1 1 51 51 PHE CB C 51 38.720 38.720 39.446 -0.726 18222 2004 1 5 . 1 1 51 51 PHE H H 51 7.890 7.890 8.315 -0.425 18222 2005 1 5 . 1 1 52 52 ILE N N 52 117.950 117.950 114.572 3.378 18222 2006 1 5 . 1 1 52 52 ILE HA H 52 4.050 4.050 4.106 -0.056 18222 2007 1 5 . 1 1 52 52 ILE CA C 52 63.560 63.560 64.204 -0.644 18222 2008 1 5 . 1 1 52 52 ILE CB C 52 36.810 36.810 37.922 -1.112 18222 2009 1 5 . 1 1 52 52 ILE H H 52 8.110 8.110 8.255 -0.145 18222 2010 1 5 . 1 1 53 53 GLN N N 53 117.360 117.360 120.168 -2.808 18222 2011 1 5 . 1 1 53 53 GLN CA C 53 57.200 57.200 58.263 -1.063 18222 2012 1 5 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.235 -0.365 18222 2013 1 5 . 1 1 53 53 GLN H H 53 7.930 7.930 8.453 -0.523 18222 2014 1 5 . 1 1 54 54 ARG N N 54 116.840 116.840 118.428 -1.588 18222 2015 1 5 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.210 -0.260 18222 2016 1 5 . 1 1 54 54 ARG CA C 54 56.480 56.480 57.587 -1.107 18222 2017 1 5 . 1 1 54 54 ARG CB C 54 28.970 28.970 29.916 -0.946 18222 2018 1 5 . 1 1 54 54 ARG H H 54 7.540 7.540 7.865 -0.325 18222 2019 1 5 . 1 1 55 55 LYS N N 55 117.900 117.900 118.111 -0.211 18222 2020 1 5 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.246 -0.166 18222 2021 1 5 . 1 1 55 55 LYS CA C 55 55.030 55.030 56.109 -1.079 18222 2022 1 5 . 1 1 55 55 LYS CB C 55 32.010 32.010 32.504 -0.494 18222 2023 1 5 . 1 1 55 55 LYS H H 55 7.660 7.660 7.339 0.321 18222 2024 1 5 . 1 1 56 56 PHE N N 56 121.060 121.060 120.998 0.062 18222 2025 1 5 . 1 1 56 56 PHE CA C 56 55.190 55.190 55.791 -0.601 18222 2026 1 5 . 1 1 56 56 PHE CB C 56 38.970 38.970 39.710 -0.740 18222 2027 1 5 . 1 1 56 56 PHE H H 56 8.080 8.080 7.782 0.298 18222 2028 1 5 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.686 -1.296 18222 2029 1 5 . 1 1 57 57 PRO CB C 57 30.580 30.580 31.825 -1.245 18222 2030 1 5 . 1 1 58 58 TYR N N 58 120.240 120.240 120.444 -0.204 18222 2031 1 5 . 1 1 58 58 TYR CA C 58 55.770 55.770 55.204 0.566 18222 2032 1 5 . 1 1 58 58 TYR CB C 58 40.220 40.220 38.947 1.273 18222 2033 1 5 . 1 1 58 58 TYR H H 58 7.700 7.700 8.033 -0.333 18222 2034 1 5 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.746 -1.616 18222 2035 1 5 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.278 1.062 18222 2036 1 5 . 1 1 60 60 LEU N N 60 122.210 122.210 120.208 2.002 18222 2037 1 5 . 1 1 60 60 LEU CA C 60 54.250 54.250 54.697 -0.447 18222 2038 1 5 . 1 1 60 60 LEU CB C 60 41.470 41.470 43.113 -1.643 18222 2039 1 5 . 1 1 60 60 LEU H H 60 7.880 7.880 7.884 -0.004 18222 2040 1 5 . 1 1 61 61 GLN N N 61 122.470 122.470 120.799 1.671 18222 2041 1 5 . 1 1 61 61 GLN CA C 61 54.170 54.170 55.823 -1.653 18222 2042 1 5 . 1 1 61 61 GLN H H 61 7.970 7.970 8.254 -0.284 18222 2043 1 5 . 1 1 62 62 TRP N N 62 124.590 124.590 123.845 0.745 18222 2044 1 5 . 1 1 62 62 TRP CA C 62 59.830 59.830 62.026 -2.196 18222 2045 1 5 . 1 1 62 62 TRP CB C 62 28.800 28.800 29.581 -0.781 18222 2046 1 5 . 1 1 62 62 TRP H H 62 8.240 8.240 8.790 -0.550 18222 2047 1 5 . 1 1 63 63 SER N N 63 113.320 113.320 114.724 -1.404 18222 2048 1 5 . 1 1 63 63 SER CA C 63 61.100 61.100 62.033 -0.934 18222 2049 1 5 . 1 1 63 63 SER H H 63 8.410 8.410 7.959 0.451 18222 2050 1 5 . 1 1 64 64 LEU N N 64 123.230 123.230 120.561 2.669 18222 2051 1 5 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.077 -0.197 18222 2052 1 5 . 1 1 64 64 LEU CB C 64 40.830 40.830 40.918 -0.088 18222 2053 1 5 . 1 1 64 64 LEU H H 64 7.230 7.230 8.139 -0.909 18222 2054 1 5 . 1 1 65 65 LEU N N 65 119.400 119.400 121.396 -1.996 18222 2055 1 5 . 1 1 65 65 LEU HA H 65 3.890 3.890 4.057 -0.167 18222 2056 1 5 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.347 -0.767 18222 2057 1 5 . 1 1 65 65 LEU CB C 65 40.710 40.710 41.562 -0.853 18222 2058 1 5 . 1 1 65 65 LEU H H 65 7.510 7.510 8.529 -1.019 18222 2059 1 5 . 1 1 66 66 VAL N N 66 116.950 116.950 119.192 -2.242 18222 2060 1 5 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.699 0.261 18222 2061 1 5 . 1 1 66 66 VAL CA C 66 66.260 66.260 65.796 0.464 18222 2062 1 5 . 1 1 66 66 VAL CB C 66 30.570 30.570 31.295 -0.725 18222 2063 1 5 . 1 1 66 66 VAL H H 66 7.950 7.950 8.326 -0.376 18222 2064 1 5 . 1 1 67 67 ALA N N 67 120.650 120.650 122.751 -2.101 18222 2065 1 5 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.201 -0.201 18222 2066 1 5 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.274 -0.494 18222 2067 1 5 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.552 -1.113 18222 2068 1 5 . 1 1 67 67 ALA H H 67 7.450 7.450 8.053 -0.603 18222 2069 1 5 . 1 1 68 68 VAL N N 68 118.440 118.440 119.218 -0.778 18222 2070 1 5 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.644 0.106 18222 2071 1 5 . 1 1 68 68 VAL CA C 68 65.250 65.250 67.046 -1.796 18222 2072 1 5 . 1 1 68 68 VAL CB C 68 30.850 30.850 32.002 -1.152 18222 2073 1 5 . 1 1 68 68 VAL H H 68 7.960 7.960 7.806 0.154 18222 2074 1 5 . 1 1 69 69 VAL N N 69 120.800 120.800 119.899 0.901 18222 2075 1 5 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.593 0.627 18222 2076 1 5 . 1 1 69 69 VAL CA C 69 66.020 66.020 67.029 -1.009 18222 2077 1 5 . 1 1 69 69 VAL CB C 69 30.850 30.850 31.055 -0.205 18222 2078 1 5 . 1 1 69 69 VAL H H 69 8.080 8.080 8.333 -0.253 18222 2079 1 5 . 1 1 70 70 ALA N N 70 121.740 121.740 120.867 0.873 18222 2080 1 5 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.191 -0.271 18222 2081 1 5 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.341 -0.421 18222 2082 1 5 . 1 1 70 70 ALA CB C 70 17.620 17.620 18.250 -0.630 18222 2083 1 5 . 1 1 70 70 ALA H H 70 8.660 8.660 8.608 0.052 18222 2084 1 5 . 1 1 71 71 GLY N N 71 103.450 103.450 106.648 -3.198 18222 2085 1 5 . 1 1 71 71 GLY CA C 71 46.300 46.300 46.722 -0.422 18222 2086 1 5 . 1 1 71 71 GLY H H 71 8.010 8.010 8.083 -0.073 18222 2087 1 5 . 1 1 72 72 SER N N 72 118.160 118.160 117.721 0.439 18222 2088 1 5 . 1 1 72 72 SER CA C 72 61.260 61.260 61.257 0.003 18222 2089 1 5 . 1 1 72 72 SER CB C 72 62.870 62.870 63.237 -0.367 18222 2090 1 5 . 1 1 72 72 SER H H 72 7.870 7.870 7.993 -0.123 18222 2091 1 5 . 1 1 73 73 VAL N N 73 121.340 121.340 122.252 -0.912 18222 2092 1 5 . 1 1 73 73 VAL CA C 73 65.750 65.750 65.956 -0.205 18222 2093 1 5 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.924 -1.185 18222 2094 1 5 . 1 1 73 73 VAL H H 73 8.050 8.050 8.124 -0.074 18222 2095 1 5 . 1 1 74 74 VAL N N 74 118.680 118.680 119.043 -0.363 18222 2096 1 5 . 1 1 74 74 VAL CA C 74 65.770 65.770 66.351 -0.581 18222 2097 1 5 . 1 1 74 74 VAL CB C 74 30.740 30.740 30.588 0.152 18222 2098 1 5 . 1 1 74 74 VAL H H 74 7.880 7.880 8.370 -0.490 18222 2099 1 5 . 1 1 75 75 SER N N 75 114.750 114.750 116.912 -2.162 18222 2100 1 5 . 1 1 75 75 SER HA H 75 4.100 4.100 4.232 -0.132 18222 2101 1 5 . 1 1 75 75 SER CA C 75 60.870 60.870 61.382 -0.512 18222 2102 1 5 . 1 1 75 75 SER CB C 75 62.340 62.340 63.032 -0.692 18222 2103 1 5 . 1 1 75 75 SER H H 75 7.870 7.870 8.105 -0.235 18222 2104 1 5 . 1 1 76 76 TYR N N 76 121.110 121.110 122.336 -1.226 18222 2105 1 5 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.883 -1.833 18222 2106 1 5 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.748 -0.768 18222 2107 1 5 . 1 1 76 76 TYR H H 76 7.860 7.860 8.431 -0.571 18222 2108 1 5 . 1 1 77 77 GLY N N 77 107.300 107.300 106.587 0.713 18222 2109 1 5 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.394 -0.834 18222 2110 1 5 . 1 1 77 77 GLY H H 77 8.200 8.200 8.537 -0.337 18222 2111 1 5 . 1 1 78 78 VAL N N 78 119.470 119.470 121.632 -2.162 18222 2112 1 5 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.805 0.365 18222 2113 1 5 . 1 1 78 78 VAL CA C 78 64.650 64.650 66.371 -1.721 18222 2114 1 5 . 1 1 78 78 VAL H H 78 8.140 8.140 8.620 -0.480 18222 2115 1 5 . 1 1 79 79 THR N N 79 112.100 112.100 116.690 -4.590 18222 2116 1 5 . 1 1 79 79 THR CA C 79 63.460 63.460 67.208 -3.748 18222 2117 1 5 . 1 1 79 79 THR CB C 79 68.650 68.650 68.444 0.206 18222 2118 1 5 . 1 1 79 79 THR H H 79 7.640 7.640 8.032 -0.392 18222 2119 1 5 . 1 1 80 80 ARG N N 80 120.770 120.770 122.437 -1.667 18222 2120 1 5 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.031 0.129 18222 2121 1 5 . 1 1 80 80 ARG CA C 80 56.790 56.790 59.690 -2.900 18222 2122 1 5 . 1 1 80 80 ARG CB C 80 29.430 29.430 30.196 -0.766 18222 2123 1 5 . 1 1 80 80 ARG H H 80 7.680 7.680 8.068 -0.388 18222 2124 1 5 . 1 1 81 81 VAL N N 81 118.370 118.370 119.653 -1.283 18222 2125 1 5 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.731 0.189 18222 2126 1 5 . 1 1 81 81 VAL CA C 81 63.340 63.340 66.614 -3.273 18222 2127 1 5 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.651 -0.391 18222 2128 1 5 . 1 1 81 81 VAL H H 81 7.730 7.730 8.292 -0.562 18222 2129 1 5 . 1 1 82 82 GLU N N 82 120.620 120.620 119.659 0.961 18222 2130 1 5 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.803 -3.482 18222 2131 1 5 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.278 -1.348 18222 2132 1 5 . 1 1 82 82 GLU H H 82 7.920 7.920 8.527 -0.607 18222 2133 1 5 . 1 1 83 83 SER N N 83 116.240 116.240 116.438 -0.198 18222 2134 1 5 . 1 1 83 83 SER CA C 83 59.250 59.250 61.994 -2.744 18222 2135 1 5 . 1 1 83 83 SER CB C 83 63.160 63.160 62.820 0.340 18222 2136 1 5 . 1 1 83 83 SER H H 83 7.960 7.960 8.009 -0.049 18222 2137 1 5 . 1 1 84 84 GLU N N 84 123.280 123.280 122.051 1.229 18222 2138 1 5 . 1 1 84 84 GLU HA H 84 4.080 4.080 4.041 0.039 18222 2139 1 5 . 1 1 84 84 GLU CA C 84 57.860 57.860 59.836 -1.976 18222 2140 1 5 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.658 -1.468 18222 2141 1 5 . 1 1 84 84 GLU H H 84 8.470 8.470 8.066 0.404 18222 2142 1 5 . 1 1 85 85 LYS N N 85 118.650 118.650 119.881 -1.231 18222 2143 1 5 . 1 1 85 85 LYS HA H 85 4.100 4.100 4.055 0.045 18222 2144 1 5 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.602 -1.823 18222 2145 1 5 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.484 -1.104 18222 2146 1 5 . 1 1 85 85 LYS H H 85 7.940 7.940 8.063 -0.123 18222 2147 1 5 . 1 1 86 86 CYS N N 86 117.070 117.070 118.712 -1.642 18222 2148 1 5 . 1 1 86 86 CYS CA C 86 60.910 60.910 62.575 -1.665 18222 2149 1 5 . 1 1 86 86 CYS CB C 86 26.740 26.740 27.058 -0.318 18222 2150 1 5 . 1 1 86 86 CYS H H 86 7.840 7.840 8.459 -0.619 18222 2151 1 5 . 1 1 87 87 ASN N N 87 119.370 119.370 118.850 0.520 18222 2152 1 5 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.720 -0.590 18222 2153 1 5 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.650 -0.900 18222 2154 1 5 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.092 -0.042 18222 2155 1 5 . 1 1 87 87 ASN H H 87 8.110 8.110 8.594 -0.484 18222 2156 1 5 . 1 1 88 88 ASN N N 88 117.570 117.570 119.744 -2.174 18222 2157 1 5 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.569 -0.289 18222 2158 1 5 . 1 1 88 88 ASN CA C 88 55.190 55.190 56.327 -1.137 18222 2159 1 5 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.561 -1.161 18222 2160 1 5 . 1 1 88 88 ASN H H 88 8.280 8.280 8.194 0.086 18222 2161 1 5 . 1 1 89 89 LEU N N 89 121.940 121.940 121.831 0.109 18222 2162 1 5 . 1 1 89 89 LEU HA H 89 4.070 4.070 3.973 0.097 18222 2163 1 5 . 1 1 89 89 LEU CA C 89 57.580 57.580 59.415 -1.835 18222 2164 1 5 . 1 1 89 89 LEU CB C 89 40.490 40.490 41.930 -1.440 18222 2165 1 5 . 1 1 89 89 LEU H H 89 7.790 7.790 8.591 -0.801 18222 2166 1 5 . 1 1 90 90 TRP N N 90 119.220 119.220 120.782 -1.562 18222 2167 1 5 . 1 1 90 90 TRP CA C 90 59.120 59.120 61.097 -1.977 18222 2168 1 5 . 1 1 90 90 TRP CB C 90 28.800 28.800 28.876 -0.076 18222 2169 1 5 . 1 1 90 90 TRP H H 90 7.850 7.850 8.391 -0.541 18222 2170 1 5 . 1 1 91 91 LEU N N 91 117.870 117.870 120.633 -2.763 18222 2171 1 5 . 1 1 91 91 LEU CA C 91 57.300 57.300 58.264 -0.964 18222 2172 1 5 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.731 -1.121 18222 2173 1 5 . 1 1 91 91 LEU H H 91 7.920 7.920 8.204 -0.284 18222 2174 1 5 . 1 1 92 92 PHE N N 92 121.280 121.280 117.779 3.501 18222 2175 1 5 . 1 1 92 92 PHE CA C 92 60.390 60.390 62.349 -1.959 18222 2176 1 5 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.646 -0.666 18222 2177 1 5 . 1 1 92 92 PHE H H 92 7.860 7.860 8.425 -0.565 18222 2178 1 5 . 1 1 93 93 LEU N N 93 119.860 119.860 120.312 -0.452 18222 2179 1 5 . 1 1 93 93 LEU CA C 93 56.860 56.860 58.703 -1.843 18222 2180 1 5 . 1 1 93 93 LEU CB C 93 40.550 40.550 42.089 -1.539 18222 2181 1 5 . 1 1 93 93 LEU H H 93 7.980 7.980 8.826 -0.846 18222 2182 1 5 . 1 1 94 94 GLU N N 94 114.660 114.660 119.064 -4.404 18222 2183 1 5 . 1 1 94 94 GLU HA H 94 3.810 3.810 4.069 -0.259 18222 2184 1 5 . 1 1 94 94 GLU CA C 94 57.210 57.210 59.052 -1.842 18222 2185 1 5 . 1 1 94 94 GLU CB C 94 28.470 28.470 29.370 -0.900 18222 2186 1 5 . 1 1 94 94 GLU H H 94 7.890 7.890 8.261 -0.371 18222 2187 1 5 . 1 1 95 95 THR N N 95 108.260 108.260 112.034 -3.774 18222 2188 1 5 . 1 1 95 95 THR CA C 95 62.150 62.150 63.068 -0.918 18222 2189 1 5 . 1 1 95 95 THR CB C 95 70.810 70.810 69.818 0.992 18222 2190 1 5 . 1 1 95 95 THR H H 95 7.690 7.690 7.615 0.075 18222 2191 1 5 . 1 1 96 96 GLY N N 96 112.220 112.220 109.488 2.732 18222 2192 1 5 . 1 1 96 96 GLY CA C 96 45.410 45.410 44.876 0.534 18222 2193 1 5 . 1 1 96 96 GLY H H 96 8.240 8.240 7.885 0.355 18222 2194 1 5 . 1 1 97 97 GLN N N 97 117.950 117.950 120.774 -2.824 18222 2195 1 5 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.507 -0.307 18222 2196 1 5 . 1 1 97 97 GLN CA C 97 54.430 54.430 54.356 0.074 18222 2197 1 5 . 1 1 97 97 GLN CB C 97 29.910 29.910 28.612 1.298 18222 2198 1 5 . 1 1 97 97 GLN H H 97 7.640 7.640 7.926 -0.286 18222 2199 1 5 . 1 1 98 98 LEU N N 98 123.810 123.810 121.883 1.927 18222 2200 1 5 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.726 -0.366 18222 2201 1 5 . 1 1 98 98 LEU CA C 98 52.650 52.650 53.725 -1.075 18222 2202 1 5 . 1 1 98 98 LEU CB C 98 40.460 40.460 41.033 -0.573 18222 2203 1 5 . 1 1 98 98 LEU H H 98 8.270 8.270 7.793 0.477 18222 2204 1 5 . 1 1 99 99 PRO CA C 99 63.180 63.180 63.286 -0.106 18222 2205 1 5 . 1 1 99 99 PRO CB C 99 30.840 30.840 31.840 -1.000 18222 2206 1 5 . 1 1 100 100 LYS N N 100 120.630 120.630 120.462 0.168 18222 2207 1 5 . 1 1 100 100 LYS CA C 100 55.730 55.730 56.790 -1.060 18222 2208 1 5 . 1 1 100 100 LYS CB C 100 32.280 32.280 31.878 0.402 18222 2209 1 5 . 1 1 100 100 LYS H H 100 8.090 8.090 8.373 -0.283 18222 2210 1 5 . 1 1 101 101 ASP N N 101 120.920 120.920 121.391 -0.471 18222 2211 1 5 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.743 -0.553 18222 2212 1 5 . 1 1 101 101 ASP CA C 101 54.000 54.000 53.776 0.224 18222 2213 1 5 . 1 1 101 101 ASP CB C 101 40.330 40.330 42.514 -2.184 18222 2214 1 5 . 1 1 101 101 ASP H H 101 8.190 8.190 8.127 0.063 18222 2215 1 5 . 1 1 102 102 ARG N N 102 122.210 122.210 121.901 0.309 18222 2216 1 5 . 1 1 102 102 ARG CA C 102 55.590 55.590 56.775 -1.185 18222 2217 1 5 . 1 1 102 102 ARG CB C 102 29.630 29.630 30.735 -1.105 18222 2218 1 5 . 1 1 102 102 ARG H H 102 8.130 8.130 8.472 -0.342 18222 2219 1 5 . 1 1 103 103 SER N N 103 117.230 117.230 116.085 1.145 18222 2220 1 5 . 1 1 103 103 SER HA H 103 4.280 4.280 4.791 -0.511 18222 2221 1 5 . 1 1 103 103 SER CA C 103 58.470 58.470 57.636 0.834 18222 2222 1 5 . 1 1 103 103 SER CB C 103 63.080 63.080 63.978 -0.898 18222 2223 1 5 . 1 1 103 103 SER H H 103 8.290 8.290 8.432 -0.142 18222 2224 1 5 . 1 1 104 104 THR N N 104 115.430 115.430 116.504 -1.074 18222 2225 1 5 . 1 1 104 104 THR CA C 104 61.570 61.570 61.759 -0.189 18222 2226 1 5 . 1 1 104 104 THR CB C 104 69.030 69.030 69.967 -0.937 18222 2227 1 5 . 1 1 104 104 THR H H 104 8.020 8.020 8.306 -0.286 18222 2228 1 5 . 1 1 105 105 ASP N N 105 122.780 122.780 119.537 3.243 18222 2229 1 5 . 1 1 105 105 ASP CA C 105 54.210 54.210 53.662 0.548 18222 2230 1 5 . 1 1 105 105 ASP CB C 105 40.380 40.380 42.150 -1.770 18222 2231 1 5 . 1 1 105 105 ASP H H 105 8.120 8.120 8.258 -0.138 18222 2232 1 5 . 1 1 106 106 GLN N N 106 120.960 120.960 120.846 0.114 18222 2233 1 5 . 1 1 106 106 GLN CA C 106 55.420 55.420 55.858 -0.438 18222 2234 1 5 . 1 1 106 106 GLN CB C 106 28.310 28.310 29.803 -1.493 18222 2235 1 5 . 1 1 106 106 GLN H H 106 8.140 8.140 8.277 -0.137 18222 2236 1 5 . 1 1 107 107 ARG N N 107 123.010 123.010 122.440 0.570 18222 2237 1 5 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.407 -0.197 18222 2238 1 5 . 1 1 107 107 ARG CA C 107 55.560 55.560 56.248 -0.688 18222 2239 1 5 . 1 1 107 107 ARG CB C 107 29.920 29.920 30.128 -0.208 18222 2240 1 5 . 1 1 107 107 ARG H H 107 8.180 8.180 8.576 -0.396 18222 2241 1 6 . 1 1 2 2 VAL N N 2 121.590 121.590 124.543 -2.953 18222 2242 1 6 . 1 1 2 2 VAL CA C 2 61.600 61.600 62.232 -0.632 18222 2243 1 6 . 1 1 2 2 VAL CB C 2 31.900 31.900 32.347 -0.447 18222 2244 1 6 . 1 1 2 2 VAL H H 2 8.010 8.010 8.476 -0.466 18222 2245 1 6 . 1 1 3 3 ASN N N 3 122.520 122.520 124.434 -1.914 18222 2246 1 6 . 1 1 3 3 ASN HA H 3 4.020 4.020 4.752 -0.732 18222 2247 1 6 . 1 1 3 3 ASN CA C 3 52.640 52.640 53.597 -0.957 18222 2248 1 6 . 1 1 3 3 ASN CB C 3 38.330 38.330 39.335 -1.005 18222 2249 1 6 . 1 1 3 3 ASN H H 3 8.360 8.360 8.540 -0.180 18222 2250 1 6 . 1 1 4 4 LEU N N 4 123.830 123.830 121.485 2.345 18222 2251 1 6 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.699 -0.479 18222 2252 1 6 . 1 1 4 4 LEU CA C 4 54.620 54.620 55.042 -0.422 18222 2253 1 6 . 1 1 4 4 LEU CB C 4 41.680 41.680 42.175 -0.495 18222 2254 1 6 . 1 1 4 4 LEU H H 4 8.220 8.220 8.571 -0.351 18222 2255 1 6 . 1 1 5 5 GLY N N 5 106.810 106.810 106.966 -0.156 18222 2256 1 6 . 1 1 5 5 GLY CA C 5 45.800 45.800 44.599 1.201 18222 2257 1 6 . 1 1 5 5 GLY H H 5 8.030 8.030 7.777 0.253 18222 2258 1 6 . 1 1 6 6 LEU N N 6 120.820 120.820 120.818 0.002 18222 2259 1 6 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.453 -0.403 18222 2260 1 6 . 1 1 6 6 LEU CA C 6 55.990 55.990 56.971 -0.981 18222 2261 1 6 . 1 1 6 6 LEU CB C 6 40.800 40.800 42.346 -1.546 18222 2262 1 6 . 1 1 6 6 LEU H H 6 8.030 8.030 8.464 -0.434 18222 2263 1 6 . 1 1 7 7 SER N N 7 115.540 115.540 115.362 0.178 18222 2264 1 6 . 1 1 7 7 SER HA H 7 4.100 4.100 4.220 -0.120 18222 2265 1 6 . 1 1 7 7 SER CA C 7 60.580 60.580 62.379 -1.799 18222 2266 1 6 . 1 1 7 7 SER CB C 7 62.060 62.060 62.832 -0.772 18222 2267 1 6 . 1 1 7 7 SER H H 7 8.360 8.360 8.398 -0.038 18222 2268 1 6 . 1 1 8 8 ARG N N 8 120.690 120.690 122.388 -1.698 18222 2269 1 6 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.081 0.079 18222 2270 1 6 . 1 1 8 8 ARG CA C 8 57.350 57.350 59.184 -1.834 18222 2271 1 6 . 1 1 8 8 ARG CB C 8 29.230 29.230 29.841 -0.611 18222 2272 1 6 . 1 1 8 8 ARG H H 8 7.830 7.830 8.231 -0.401 18222 2273 1 6 . 1 1 9 9 VAL N N 9 119.330 119.330 119.840 -0.510 18222 2274 1 6 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.562 0.608 18222 2275 1 6 . 1 1 9 9 VAL CA C 9 64.720 64.720 66.628 -1.908 18222 2276 1 6 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.534 -0.634 18222 2277 1 6 . 1 1 9 9 VAL H H 9 7.620 7.620 7.552 0.068 18222 2278 1 6 . 1 1 10 10 ASP N N 10 119.520 119.520 120.038 -0.518 18222 2279 1 6 . 1 1 10 10 ASP CA C 10 54.960 54.960 57.981 -3.021 18222 2280 1 6 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.254 -2.454 18222 2281 1 6 . 1 1 10 10 ASP H H 10 8.180 8.180 8.176 0.004 18222 2282 1 6 . 1 1 11 11 ASP N N 11 121.550 121.550 120.462 1.088 18222 2283 1 6 . 1 1 11 11 ASP CA C 11 54.440 54.440 57.121 -2.681 18222 2284 1 6 . 1 1 11 11 ASP CB C 11 37.840 37.840 40.801 -2.961 18222 2285 1 6 . 1 1 11 11 ASP H H 11 7.950 7.950 8.170 -0.220 18222 2286 1 6 . 1 1 12 12 ALA N N 12 120.220 120.220 122.495 -2.275 18222 2287 1 6 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.084 -0.714 18222 2288 1 6 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.600 6.130 18222 2289 1 6 . 1 1 12 12 ALA H H 12 8.090 8.090 8.150 -0.060 18222 2290 1 6 . 1 1 13 13 VAL N N 13 116.910 116.910 118.949 -2.039 18222 2291 1 6 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.555 0.585 18222 2292 1 6 . 1 1 13 13 VAL CA C 13 64.900 64.900 66.759 -1.859 18222 2293 1 6 . 1 1 13 13 VAL CB C 13 31.000 31.000 31.692 -0.692 18222 2294 1 6 . 1 1 13 13 VAL H H 13 7.980 7.980 8.131 -0.151 18222 2295 1 6 . 1 1 14 14 ALA N N 14 122.200 122.200 121.859 0.341 18222 2296 1 6 . 1 1 14 14 ALA HA H 14 4.020 4.020 4.011 0.009 18222 2297 1 6 . 1 1 14 14 ALA CA C 14 53.800 53.800 54.926 -1.126 18222 2298 1 6 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.475 -0.685 18222 2299 1 6 . 1 1 14 14 ALA H H 14 8.030 8.030 8.001 0.029 18222 2300 1 6 . 1 1 15 15 ALA N N 15 118.600 118.600 119.038 -0.438 18222 2301 1 6 . 1 1 15 15 ALA CA C 15 53.230 53.230 54.038 -0.808 18222 2302 1 6 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.276 -0.266 18222 2303 1 6 . 1 1 15 15 ALA H H 15 7.530 7.530 7.820 -0.290 18222 2304 1 6 . 1 1 16 16 LYS N N 16 115.820 115.820 117.278 -1.458 18222 2305 1 6 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.187 -0.107 18222 2306 1 6 . 1 1 16 16 LYS CA C 16 55.670 55.670 57.844 -2.174 18222 2307 1 6 . 1 1 16 16 LYS CB C 16 32.640 32.640 33.378 -0.738 18222 2308 1 6 . 1 1 16 16 LYS H H 16 7.490 7.490 7.787 -0.297 18222 2309 1 6 . 1 1 17 17 HIS N N 17 116.790 116.790 117.993 -1.203 18222 2310 1 6 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.998 -0.898 18222 2311 1 6 . 1 1 17 17 HIS CA C 17 52.820 52.820 52.760 0.060 18222 2312 1 6 . 1 1 17 17 HIS CB C 17 28.400 28.400 30.881 -2.481 18222 2313 1 6 . 1 1 17 17 HIS H H 17 8.130 8.130 7.794 0.336 18222 2314 1 6 . 1 1 18 18 PRO CA C 18 63.800 63.800 63.502 0.298 18222 2315 1 6 . 1 1 18 18 PRO CB C 18 30.800 30.800 32.755 -1.955 18222 2316 1 6 . 1 1 19 19 GLY N N 19 110.260 110.260 106.143 4.117 18222 2317 1 6 . 1 1 19 19 GLY CA C 19 45.490 45.490 44.877 0.614 18222 2318 1 6 . 1 1 19 19 GLY H H 19 8.730 8.730 8.068 0.662 18222 2319 1 6 . 1 1 20 20 LEU N N 20 122.650 122.650 124.372 -1.722 18222 2320 1 6 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.691 -0.601 18222 2321 1 6 . 1 1 20 20 LEU CA C 20 57.060 57.060 55.502 1.558 18222 2322 1 6 . 1 1 20 20 LEU H H 20 7.980 7.980 8.514 -0.534 18222 2323 1 6 . 1 1 21 21 GLY N N 21 107.000 107.000 108.483 -1.483 18222 2324 1 6 . 1 1 21 21 GLY CA C 21 46.710 46.710 46.980 -0.271 18222 2325 1 6 . 1 1 21 21 GLY H H 21 8.570 8.570 8.578 -0.008 18222 2326 1 6 . 1 1 22 22 GLU N N 22 121.610 121.610 121.448 0.162 18222 2327 1 6 . 1 1 22 22 GLU HA H 22 3.990 3.990 4.036 -0.046 18222 2328 1 6 . 1 1 22 22 GLU CA C 22 58.280 58.280 58.931 -0.651 18222 2329 1 6 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.049 -1.039 18222 2330 1 6 . 1 1 22 22 GLU H H 22 8.100 8.100 8.964 -0.864 18222 2331 1 6 . 1 1 23 23 TYR N N 23 120.870 120.870 121.766 -0.896 18222 2332 1 6 . 1 1 23 23 TYR CA C 23 60.380 60.380 61.483 -1.103 18222 2333 1 6 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.644 -0.894 18222 2334 1 6 . 1 1 23 23 TYR H H 23 7.910 7.910 7.623 0.287 18222 2335 1 6 . 1 1 24 24 ALA N N 24 121.420 121.420 121.695 -0.275 18222 2336 1 6 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.957 0.183 18222 2337 1 6 . 1 1 24 24 ALA CA C 24 54.260 54.260 55.048 -0.788 18222 2338 1 6 . 1 1 24 24 ALA H H 24 8.410 8.410 8.384 0.026 18222 2339 1 6 . 1 1 25 25 ALA N N 25 120.220 120.220 122.275 -2.055 18222 2340 1 6 . 1 1 25 25 ALA CA C 25 54.370 54.370 55.069 -0.700 18222 2341 1 6 . 1 1 25 25 ALA H H 25 8.090 8.090 8.426 -0.336 18222 2342 1 6 . 1 1 26 26 CYS N N 26 116.760 116.760 117.413 -0.653 18222 2343 1 6 . 1 1 26 26 CYS CA C 26 61.180 61.180 61.732 -0.552 18222 2344 1 6 . 1 1 26 26 CYS CB C 26 26.390 26.390 25.890 0.500 18222 2345 1 6 . 1 1 26 26 CYS H H 26 7.950 7.950 8.213 -0.263 18222 2346 1 6 . 1 1 27 27 GLN N N 27 118.690 118.690 121.140 -2.450 18222 2347 1 6 . 1 1 27 27 GLN CA C 27 55.970 55.970 59.620 -3.650 18222 2348 1 6 . 1 1 27 27 GLN H H 27 8.060 8.060 8.286 -0.226 18222 2349 1 6 . 1 1 28 28 SER N N 28 115.490 115.490 116.097 -0.607 18222 2350 1 6 . 1 1 28 28 SER HA H 28 3.990 3.990 4.179 -0.189 18222 2351 1 6 . 1 1 28 28 SER CA C 28 61.110 61.110 61.990 -0.880 18222 2352 1 6 . 1 1 28 28 SER H H 28 7.980 7.980 8.484 -0.504 18222 2353 1 6 . 1 1 29 29 HIS N N 29 120.880 120.880 122.441 -1.561 18222 2354 1 6 . 1 1 29 29 HIS CA C 29 58.190 58.190 59.723 -1.533 18222 2355 1 6 . 1 1 29 29 HIS CB C 29 27.460 27.460 29.976 -2.516 18222 2356 1 6 . 1 1 29 29 HIS H H 29 8.180 8.180 8.284 -0.104 18222 2357 1 6 . 1 1 30 30 ALA N N 30 122.920 122.920 121.741 1.179 18222 2358 1 6 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.149 -0.589 18222 2359 1 6 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.342 -0.852 18222 2360 1 6 . 1 1 30 30 ALA H H 30 8.040 8.040 8.353 -0.313 18222 2361 1 6 . 1 1 31 31 PHE N N 31 119.340 119.340 119.677 -0.337 18222 2362 1 6 . 1 1 31 31 PHE CA C 31 60.370 60.370 60.981 -0.611 18222 2363 1 6 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.274 -0.754 18222 2364 1 6 . 1 1 31 31 PHE H H 31 8.230 8.230 8.441 -0.211 18222 2365 1 6 . 1 1 32 32 MET N N 32 118.110 118.110 119.865 -1.755 18222 2366 1 6 . 1 1 32 32 MET HA H 32 4.050 4.050 3.848 0.202 18222 2367 1 6 . 1 1 32 32 MET CA C 32 58.280 58.280 59.860 -1.580 18222 2368 1 6 . 1 1 32 32 MET CB C 32 31.090 31.090 32.387 -1.297 18222 2369 1 6 . 1 1 32 32 MET H H 32 8.120 8.120 8.475 -0.355 18222 2370 1 6 . 1 1 33 33 LYS N N 33 119.040 119.040 119.006 0.034 18222 2371 1 6 . 1 1 33 33 LYS HA H 33 3.930 3.930 3.730 0.200 18222 2372 1 6 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.592 -0.552 18222 2373 1 6 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.219 -1.229 18222 2374 1 6 . 1 1 33 33 LYS H H 33 7.970 7.970 8.040 -0.070 18222 2375 1 6 . 1 1 34 34 GLY N N 34 108.840 108.840 106.944 1.896 18222 2376 1 6 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.124 -0.514 18222 2377 1 6 . 1 1 34 34 GLY H H 34 8.030 8.030 8.112 -0.082 18222 2378 1 6 . 1 1 35 35 VAL N N 35 122.910 122.910 122.607 0.303 18222 2379 1 6 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.372 0.848 18222 2380 1 6 . 1 1 35 35 VAL CA C 35 66.310 66.310 66.321 -0.011 18222 2381 1 6 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.512 -0.952 18222 2382 1 6 . 1 1 35 35 VAL H H 35 8.090 8.090 7.958 0.132 18222 2383 1 6 . 1 1 36 36 PHE N N 36 120.020 120.020 119.480 0.540 18222 2384 1 6 . 1 1 36 36 PHE CA C 36 61.350 61.350 62.748 -1.398 18222 2385 1 6 . 1 1 36 36 PHE CB C 36 38.090 38.090 38.549 -0.459 18222 2386 1 6 . 1 1 36 36 PHE H H 36 8.350 8.350 8.455 -0.105 18222 2387 1 6 . 1 1 37 37 THR N N 37 116.980 116.980 115.941 1.039 18222 2388 1 6 . 1 1 37 37 THR HA H 37 4.050 4.050 3.990 0.060 18222 2389 1 6 . 1 1 37 37 THR CA C 37 66.000 66.000 66.849 -0.849 18222 2390 1 6 . 1 1 37 37 THR CB C 37 68.270 68.270 68.843 -0.573 18222 2391 1 6 . 1 1 37 37 THR H H 37 8.520 8.520 8.243 0.277 18222 2392 1 6 . 1 1 38 38 PHE N N 38 123.090 123.090 120.801 2.289 18222 2393 1 6 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.265 0.095 18222 2394 1 6 . 1 1 38 38 PHE CA C 38 61.140 61.140 60.904 0.235 18222 2395 1 6 . 1 1 38 38 PHE CB C 38 41.200 41.200 39.178 2.022 18222 2396 1 6 . 1 1 38 38 PHE H H 38 8.010 8.010 8.055 -0.045 18222 2397 1 6 . 1 1 39 39 VAL N N 39 117.280 117.280 120.440 -3.160 18222 2398 1 6 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.512 0.698 18222 2399 1 6 . 1 1 39 39 VAL CA C 39 66.000 66.000 66.579 -0.579 18222 2400 1 6 . 1 1 39 39 VAL CB C 39 30.860 30.860 31.693 -0.833 18222 2401 1 6 . 1 1 39 39 VAL H H 39 8.530 8.530 9.008 -0.478 18222 2402 1 6 . 1 1 40 40 THR N N 40 109.470 109.470 115.433 -5.963 18222 2403 1 6 . 1 1 40 40 THR HA H 40 4.060 4.060 4.005 0.055 18222 2404 1 6 . 1 1 40 40 THR CA C 40 63.390 63.390 65.687 -2.297 18222 2405 1 6 . 1 1 40 40 THR CB C 40 68.650 68.650 68.120 0.531 18222 2406 1 6 . 1 1 40 40 THR H H 40 7.700 7.700 8.277 -0.577 18222 2407 1 6 . 1 1 41 41 GLY N N 41 110.770 110.770 107.082 3.688 18222 2408 1 6 . 1 1 41 41 GLY CA C 41 45.580 45.580 45.630 -0.050 18222 2409 1 6 . 1 1 41 41 GLY H H 41 7.700 7.700 7.870 -0.170 18222 2410 1 6 . 1 1 42 42 THR N N 42 114.520 114.520 115.579 -1.059 18222 2411 1 6 . 1 1 42 42 THR CA C 42 63.300 63.300 63.189 0.111 18222 2412 1 6 . 1 1 42 42 THR CB C 42 69.490 69.490 67.059 2.431 18222 2413 1 6 . 1 1 42 42 THR H H 42 7.720 7.720 8.092 -0.372 18222 2414 1 6 . 1 1 43 43 GLY N N 43 109.540 109.540 110.567 -1.027 18222 2415 1 6 . 1 1 43 43 GLY CA C 43 46.250 46.250 45.989 0.261 18222 2416 1 6 . 1 1 43 43 GLY H H 43 8.110 8.110 8.779 -0.669 18222 2417 1 6 . 1 1 44 44 MET N N 44 120.240 120.240 121.075 -0.835 18222 2418 1 6 . 1 1 44 44 MET HA H 44 4.100 4.100 4.008 0.092 18222 2419 1 6 . 1 1 44 44 MET CA C 44 57.700 57.700 58.703 -1.003 18222 2420 1 6 . 1 1 44 44 MET CB C 44 32.030 32.030 32.574 -0.544 18222 2421 1 6 . 1 1 44 44 MET H H 44 7.730 7.730 7.922 -0.192 18222 2422 1 6 . 1 1 45 45 ALA N N 45 121.560 121.560 121.070 0.490 18222 2423 1 6 . 1 1 45 45 ALA CA C 45 54.440 54.440 55.038 -0.598 18222 2424 1 6 . 1 1 45 45 ALA CB C 45 17.400 17.400 17.725 -0.325 18222 2425 1 6 . 1 1 45 45 ALA H H 45 7.950 7.950 7.776 0.174 18222 2426 1 6 . 1 1 46 46 PHE N N 46 118.260 118.260 118.885 -0.625 18222 2427 1 6 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.427 -0.497 18222 2428 1 6 . 1 1 46 46 PHE CA C 46 59.820 59.820 59.748 0.072 18222 2429 1 6 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.459 -0.199 18222 2430 1 6 . 1 1 46 46 PHE H H 46 7.860 7.860 8.061 -0.201 18222 2431 1 6 . 1 1 47 47 GLY N N 47 107.300 107.300 109.024 -1.724 18222 2432 1 6 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.304 -0.744 18222 2433 1 6 . 1 1 47 47 GLY H H 47 8.200 8.200 8.613 -0.413 18222 2434 1 6 . 1 1 48 48 LEU N N 48 121.920 121.920 123.025 -1.105 18222 2435 1 6 . 1 1 48 48 LEU HA H 48 4.040 4.040 4.069 -0.029 18222 2436 1 6 . 1 1 48 48 LEU CA C 48 57.580 57.580 58.367 -0.787 18222 2437 1 6 . 1 1 48 48 LEU CB C 48 40.790 40.790 42.021 -1.231 18222 2438 1 6 . 1 1 48 48 LEU H H 48 8.180 8.180 8.315 -0.135 18222 2439 1 6 . 1 1 49 49 GLN N N 49 118.270 118.270 118.230 0.040 18222 2440 1 6 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.934 -0.104 18222 2441 1 6 . 1 1 49 49 GLN CA C 49 58.880 58.880 59.264 -0.384 18222 2442 1 6 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.660 -1.420 18222 2443 1 6 . 1 1 49 49 GLN H H 49 8.080 8.080 8.171 -0.091 18222 2444 1 6 . 1 1 50 50 MET N N 50 117.630 117.630 120.035 -2.405 18222 2445 1 6 . 1 1 50 50 MET HA H 50 4.010 4.010 4.216 -0.206 18222 2446 1 6 . 1 1 50 50 MET CA C 50 57.730 57.730 58.694 -0.964 18222 2447 1 6 . 1 1 50 50 MET CB C 50 27.160 27.160 32.643 -5.483 18222 2448 1 6 . 1 1 50 50 MET H H 50 7.880 7.880 8.304 -0.424 18222 2449 1 6 . 1 1 51 51 PHE N N 51 119.550 119.550 119.343 0.207 18222 2450 1 6 . 1 1 51 51 PHE CA C 51 60.850 60.850 61.852 -1.002 18222 2451 1 6 . 1 1 51 51 PHE CB C 51 38.720 38.720 39.117 -0.397 18222 2452 1 6 . 1 1 51 51 PHE H H 51 7.890 7.890 8.384 -0.494 18222 2453 1 6 . 1 1 52 52 ILE N N 52 117.950 117.950 113.885 4.065 18222 2454 1 6 . 1 1 52 52 ILE HA H 52 4.050 4.050 4.041 0.009 18222 2455 1 6 . 1 1 52 52 ILE CA C 52 63.560 63.560 64.104 -0.544 18222 2456 1 6 . 1 1 52 52 ILE CB C 52 36.810 36.810 37.871 -1.061 18222 2457 1 6 . 1 1 52 52 ILE H H 52 8.110 8.110 8.159 -0.049 18222 2458 1 6 . 1 1 53 53 GLN N N 53 117.360 117.360 119.991 -2.631 18222 2459 1 6 . 1 1 53 53 GLN CA C 53 57.200 57.200 58.491 -1.291 18222 2460 1 6 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.370 -0.500 18222 2461 1 6 . 1 1 53 53 GLN H H 53 7.930 7.930 8.364 -0.434 18222 2462 1 6 . 1 1 54 54 ARG N N 54 116.840 116.840 118.517 -1.677 18222 2463 1 6 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.189 -0.239 18222 2464 1 6 . 1 1 54 54 ARG CA C 54 56.480 56.480 57.706 -1.226 18222 2465 1 6 . 1 1 54 54 ARG CB C 54 28.970 28.970 29.967 -0.997 18222 2466 1 6 . 1 1 54 54 ARG H H 54 7.540 7.540 7.890 -0.350 18222 2467 1 6 . 1 1 55 55 LYS N N 55 117.900 117.900 117.892 0.008 18222 2468 1 6 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.314 -0.234 18222 2469 1 6 . 1 1 55 55 LYS CA C 55 55.030 55.030 56.915 -1.885 18222 2470 1 6 . 1 1 55 55 LYS CB C 55 32.010 32.010 32.578 -0.568 18222 2471 1 6 . 1 1 55 55 LYS H H 55 7.660 7.660 7.527 0.133 18222 2472 1 6 . 1 1 56 56 PHE N N 56 121.060 121.060 120.559 0.501 18222 2473 1 6 . 1 1 56 56 PHE CA C 56 55.190 55.190 55.173 0.016 18222 2474 1 6 . 1 1 56 56 PHE CB C 56 38.970 38.970 39.815 -0.844 18222 2475 1 6 . 1 1 56 56 PHE H H 56 8.080 8.080 7.814 0.266 18222 2476 1 6 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.556 -1.166 18222 2477 1 6 . 1 1 57 57 PRO CB C 57 30.580 30.580 31.714 -1.134 18222 2478 1 6 . 1 1 58 58 TYR N N 58 120.240 120.240 120.450 -0.210 18222 2479 1 6 . 1 1 58 58 TYR CA C 58 55.770 55.770 55.498 0.272 18222 2480 1 6 . 1 1 58 58 TYR CB C 58 40.220 40.220 38.758 1.462 18222 2481 1 6 . 1 1 58 58 TYR H H 58 7.700 7.700 7.981 -0.281 18222 2482 1 6 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.800 -1.670 18222 2483 1 6 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.130 1.210 18222 2484 1 6 . 1 1 60 60 LEU N N 60 122.210 122.210 120.193 2.017 18222 2485 1 6 . 1 1 60 60 LEU CA C 60 54.250 54.250 54.248 0.002 18222 2486 1 6 . 1 1 60 60 LEU CB C 60 41.470 41.470 42.827 -1.357 18222 2487 1 6 . 1 1 60 60 LEU H H 60 7.880 7.880 7.794 0.086 18222 2488 1 6 . 1 1 61 61 GLN N N 61 122.470 122.470 120.375 2.095 18222 2489 1 6 . 1 1 61 61 GLN CA C 61 54.170 54.170 55.314 -1.144 18222 2490 1 6 . 1 1 61 61 GLN H H 61 7.970 7.970 8.267 -0.297 18222 2491 1 6 . 1 1 62 62 TRP N N 62 124.590 124.590 124.545 0.045 18222 2492 1 6 . 1 1 62 62 TRP CA C 62 59.830 59.830 60.075 -0.245 18222 2493 1 6 . 1 1 62 62 TRP CB C 62 28.800 28.800 29.163 -0.363 18222 2494 1 6 . 1 1 62 62 TRP H H 62 8.240 8.240 8.570 -0.330 18222 2495 1 6 . 1 1 63 63 SER N N 63 113.320 113.320 115.677 -2.357 18222 2496 1 6 . 1 1 63 63 SER CA C 63 61.100 61.100 61.629 -0.529 18222 2497 1 6 . 1 1 63 63 SER H H 63 8.410 8.410 9.329 -0.919 18222 2498 1 6 . 1 1 64 64 LEU N N 64 123.230 123.230 122.803 0.427 18222 2499 1 6 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.630 -0.750 18222 2500 1 6 . 1 1 64 64 LEU CB C 64 40.830 40.830 41.967 -1.137 18222 2501 1 6 . 1 1 64 64 LEU H H 64 7.230 7.230 7.921 -0.691 18222 2502 1 6 . 1 1 65 65 LEU N N 65 119.400 119.400 120.144 -0.744 18222 2503 1 6 . 1 1 65 65 LEU HA H 65 3.890 3.890 4.032 -0.142 18222 2504 1 6 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.345 -0.765 18222 2505 1 6 . 1 1 65 65 LEU CB C 65 40.710 40.710 42.015 -1.305 18222 2506 1 6 . 1 1 65 65 LEU H H 65 7.510 7.510 8.753 -1.243 18222 2507 1 6 . 1 1 66 66 VAL N N 66 116.950 116.950 119.194 -2.244 18222 2508 1 6 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.626 0.334 18222 2509 1 6 . 1 1 66 66 VAL CA C 66 66.260 66.260 66.772 -0.512 18222 2510 1 6 . 1 1 66 66 VAL CB C 66 30.570 30.570 31.322 -0.752 18222 2511 1 6 . 1 1 66 66 VAL H H 66 7.950 7.950 8.257 -0.306 18222 2512 1 6 . 1 1 67 67 ALA N N 67 120.650 120.650 122.599 -1.949 18222 2513 1 6 . 1 1 67 67 ALA HA H 67 4.000 4.000 3.938 0.062 18222 2514 1 6 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.124 -0.344 18222 2515 1 6 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.093 -0.653 18222 2516 1 6 . 1 1 67 67 ALA H H 67 7.450 7.450 7.877 -0.427 18222 2517 1 6 . 1 1 68 68 VAL N N 68 118.440 118.440 118.687 -0.247 18222 2518 1 6 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.625 0.125 18222 2519 1 6 . 1 1 68 68 VAL CA C 68 65.250 65.250 67.127 -1.877 18222 2520 1 6 . 1 1 68 68 VAL CB C 68 30.850 30.850 32.105 -1.255 18222 2521 1 6 . 1 1 68 68 VAL H H 68 7.960 7.960 7.966 -0.006 18222 2522 1 6 . 1 1 69 69 VAL N N 69 120.800 120.800 120.522 0.278 18222 2523 1 6 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.611 0.609 18222 2524 1 6 . 1 1 69 69 VAL CA C 69 66.020 66.020 67.440 -1.420 18222 2525 1 6 . 1 1 69 69 VAL CB C 69 30.850 30.850 31.398 -0.547 18222 2526 1 6 . 1 1 69 69 VAL H H 69 8.080 8.080 8.428 -0.348 18222 2527 1 6 . 1 1 70 70 ALA N N 70 121.740 121.740 120.582 1.158 18222 2528 1 6 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.246 -0.326 18222 2529 1 6 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.297 -0.377 18222 2530 1 6 . 1 1 70 70 ALA CB C 70 17.620 17.620 18.027 -0.407 18222 2531 1 6 . 1 1 70 70 ALA H H 70 8.660 8.660 8.603 0.057 18222 2532 1 6 . 1 1 71 71 GLY N N 71 103.450 103.450 107.160 -3.710 18222 2533 1 6 . 1 1 71 71 GLY CA C 71 46.300 46.300 46.984 -0.684 18222 2534 1 6 . 1 1 71 71 GLY H H 71 8.010 8.010 8.141 -0.131 18222 2535 1 6 . 1 1 72 72 SER N N 72 118.160 118.160 117.780 0.380 18222 2536 1 6 . 1 1 72 72 SER CA C 72 61.260 61.260 61.190 0.070 18222 2537 1 6 . 1 1 72 72 SER CB C 72 62.870 62.870 63.235 -0.365 18222 2538 1 6 . 1 1 72 72 SER H H 72 7.870 7.870 8.170 -0.300 18222 2539 1 6 . 1 1 73 73 VAL N N 73 121.340 121.340 122.190 -0.850 18222 2540 1 6 . 1 1 73 73 VAL CA C 73 65.750 65.750 67.292 -1.542 18222 2541 1 6 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.808 -1.068 18222 2542 1 6 . 1 1 73 73 VAL H H 73 8.050 8.050 8.260 -0.210 18222 2543 1 6 . 1 1 74 74 VAL N N 74 118.680 118.680 118.572 0.108 18222 2544 1 6 . 1 1 74 74 VAL CA C 74 65.770 65.770 67.029 -1.259 18222 2545 1 6 . 1 1 74 74 VAL CB C 74 30.740 30.740 31.069 -0.329 18222 2546 1 6 . 1 1 74 74 VAL H H 74 7.880 7.880 8.549 -0.669 18222 2547 1 6 . 1 1 75 75 SER N N 75 114.750 114.750 115.783 -1.033 18222 2548 1 6 . 1 1 75 75 SER HA H 75 4.100 4.100 4.175 -0.075 18222 2549 1 6 . 1 1 75 75 SER CA C 75 60.870 60.870 61.558 -0.688 18222 2550 1 6 . 1 1 75 75 SER CB C 75 62.340 62.340 63.048 -0.708 18222 2551 1 6 . 1 1 75 75 SER H H 75 7.870 7.870 8.107 -0.237 18222 2552 1 6 . 1 1 76 76 TYR N N 76 121.110 121.110 121.857 -0.747 18222 2553 1 6 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.754 -1.704 18222 2554 1 6 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.565 -0.585 18222 2555 1 6 . 1 1 76 76 TYR H H 76 7.860 7.860 8.552 -0.692 18222 2556 1 6 . 1 1 77 77 GLY N N 77 107.300 107.300 106.741 0.559 18222 2557 1 6 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.309 -0.749 18222 2558 1 6 . 1 1 77 77 GLY H H 77 8.200 8.200 8.547 -0.347 18222 2559 1 6 . 1 1 78 78 VAL N N 78 119.470 119.470 118.694 0.776 18222 2560 1 6 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.903 0.267 18222 2561 1 6 . 1 1 78 78 VAL CA C 78 64.650 64.650 66.359 -1.709 18222 2562 1 6 . 1 1 78 78 VAL H H 78 8.140 8.140 8.658 -0.518 18222 2563 1 6 . 1 1 79 79 THR N N 79 112.100 112.100 117.244 -5.144 18222 2564 1 6 . 1 1 79 79 THR CA C 79 63.460 63.460 66.421 -2.961 18222 2565 1 6 . 1 1 79 79 THR CB C 79 68.650 68.650 68.419 0.231 18222 2566 1 6 . 1 1 79 79 THR H H 79 7.640 7.640 8.075 -0.435 18222 2567 1 6 . 1 1 80 80 ARG N N 80 120.770 120.770 121.810 -1.040 18222 2568 1 6 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.212 -0.052 18222 2569 1 6 . 1 1 80 80 ARG CA C 80 56.790 56.790 58.829 -2.039 18222 2570 1 6 . 1 1 80 80 ARG CB C 80 29.430 29.430 29.966 -0.536 18222 2571 1 6 . 1 1 80 80 ARG H H 80 7.680 7.680 8.174 -0.494 18222 2572 1 6 . 1 1 81 81 VAL N N 81 118.370 118.370 117.602 0.768 18222 2573 1 6 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.870 0.050 18222 2574 1 6 . 1 1 81 81 VAL CA C 81 63.340 63.340 66.794 -3.454 18222 2575 1 6 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.390 -0.130 18222 2576 1 6 . 1 1 81 81 VAL H H 81 7.730 7.730 8.284 -0.553 18222 2577 1 6 . 1 1 82 82 GLU N N 82 120.620 120.620 119.992 0.628 18222 2578 1 6 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.454 -3.134 18222 2579 1 6 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.382 -1.452 18222 2580 1 6 . 1 1 82 82 GLU H H 82 7.920 7.920 8.614 -0.694 18222 2581 1 6 . 1 1 83 83 SER N N 83 116.240 116.240 116.557 -0.317 18222 2582 1 6 . 1 1 83 83 SER CA C 83 59.250 59.250 62.246 -2.996 18222 2583 1 6 . 1 1 83 83 SER CB C 83 63.160 63.160 63.215 -0.055 18222 2584 1 6 . 1 1 83 83 SER H H 83 7.960 7.960 8.069 -0.109 18222 2585 1 6 . 1 1 84 84 GLU N N 84 123.280 123.280 122.075 1.205 18222 2586 1 6 . 1 1 84 84 GLU HA H 84 4.080 4.080 4.026 0.054 18222 2587 1 6 . 1 1 84 84 GLU CA C 84 57.860 57.860 59.843 -1.983 18222 2588 1 6 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.614 -1.424 18222 2589 1 6 . 1 1 84 84 GLU H H 84 8.470 8.470 8.084 0.386 18222 2590 1 6 . 1 1 85 85 LYS N N 85 118.650 118.650 119.296 -0.646 18222 2591 1 6 . 1 1 85 85 LYS HA H 85 4.100 4.100 4.130 -0.030 18222 2592 1 6 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.057 -1.277 18222 2593 1 6 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.207 -0.827 18222 2594 1 6 . 1 1 85 85 LYS H H 85 7.940 7.940 8.170 -0.230 18222 2595 1 6 . 1 1 86 86 CYS N N 86 117.070 117.070 119.126 -2.056 18222 2596 1 6 . 1 1 86 86 CYS CA C 86 60.910 60.910 63.507 -2.597 18222 2597 1 6 . 1 1 86 86 CYS CB C 86 26.740 26.740 26.685 0.055 18222 2598 1 6 . 1 1 86 86 CYS H H 86 7.840 7.840 8.113 -0.273 18222 2599 1 6 . 1 1 87 87 ASN N N 87 119.370 119.370 119.073 0.297 18222 2600 1 6 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.683 -0.553 18222 2601 1 6 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.608 -0.858 18222 2602 1 6 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.308 -0.258 18222 2603 1 6 . 1 1 87 87 ASN H H 87 8.110 8.110 8.705 -0.595 18222 2604 1 6 . 1 1 88 88 ASN N N 88 117.570 117.570 119.571 -2.001 18222 2605 1 6 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.577 -0.297 18222 2606 1 6 . 1 1 88 88 ASN CA C 88 55.190 55.190 56.111 -0.921 18222 2607 1 6 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.319 -0.919 18222 2608 1 6 . 1 1 88 88 ASN H H 88 8.280 8.280 8.266 0.014 18222 2609 1 6 . 1 1 89 89 LEU N N 89 121.940 121.940 121.668 0.272 18222 2610 1 6 . 1 1 89 89 LEU HA H 89 4.070 4.070 4.006 0.064 18222 2611 1 6 . 1 1 89 89 LEU CA C 89 57.580 57.580 58.250 -0.670 18222 2612 1 6 . 1 1 89 89 LEU CB C 89 40.490 40.490 41.004 -0.513 18222 2613 1 6 . 1 1 89 89 LEU H H 89 7.790 7.790 8.288 -0.498 18222 2614 1 6 . 1 1 90 90 TRP N N 90 119.220 119.220 121.496 -2.276 18222 2615 1 6 . 1 1 90 90 TRP CA C 90 59.120 59.120 61.804 -2.684 18222 2616 1 6 . 1 1 90 90 TRP CB C 90 28.800 28.800 29.285 -0.485 18222 2617 1 6 . 1 1 90 90 TRP H H 90 7.850 7.850 8.171 -0.321 18222 2618 1 6 . 1 1 91 91 LEU N N 91 117.870 117.870 120.138 -2.268 18222 2619 1 6 . 1 1 91 91 LEU CA C 91 57.300 57.300 57.888 -0.588 18222 2620 1 6 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.938 -1.328 18222 2621 1 6 . 1 1 91 91 LEU H H 91 7.920 7.920 8.649 -0.729 18222 2622 1 6 . 1 1 92 92 PHE N N 92 121.280 121.280 118.425 2.855 18222 2623 1 6 . 1 1 92 92 PHE CA C 92 60.390 60.390 62.005 -1.615 18222 2624 1 6 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.661 -0.681 18222 2625 1 6 . 1 1 92 92 PHE H H 92 7.860 7.860 8.272 -0.412 18222 2626 1 6 . 1 1 93 93 LEU N N 93 119.860 119.860 119.403 0.457 18222 2627 1 6 . 1 1 93 93 LEU CA C 93 56.860 56.860 58.169 -1.309 18222 2628 1 6 . 1 1 93 93 LEU CB C 93 40.550 40.550 41.891 -1.341 18222 2629 1 6 . 1 1 93 93 LEU H H 93 7.980 7.980 8.705 -0.725 18222 2630 1 6 . 1 1 94 94 GLU N N 94 114.660 114.660 118.768 -4.108 18222 2631 1 6 . 1 1 94 94 GLU HA H 94 3.810 3.810 3.861 -0.051 18222 2632 1 6 . 1 1 94 94 GLU CA C 94 57.210 57.210 58.848 -1.638 18222 2633 1 6 . 1 1 94 94 GLU CB C 94 28.470 28.470 29.241 -0.772 18222 2634 1 6 . 1 1 94 94 GLU H H 94 7.890 7.890 8.002 -0.112 18222 2635 1 6 . 1 1 95 95 THR N N 95 108.260 108.260 111.065 -2.805 18222 2636 1 6 . 1 1 95 95 THR CA C 95 62.150 62.150 62.070 0.080 18222 2637 1 6 . 1 1 95 95 THR CB C 95 70.810 70.810 69.358 1.452 18222 2638 1 6 . 1 1 95 95 THR H H 95 7.690 7.690 7.307 0.383 18222 2639 1 6 . 1 1 96 96 GLY N N 96 112.220 112.220 110.318 1.902 18222 2640 1 6 . 1 1 96 96 GLY CA C 96 45.410 45.410 44.886 0.524 18222 2641 1 6 . 1 1 96 96 GLY H H 96 8.240 8.240 7.681 0.559 18222 2642 1 6 . 1 1 97 97 GLN N N 97 117.950 117.950 121.761 -3.811 18222 2643 1 6 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.323 -0.123 18222 2644 1 6 . 1 1 97 97 GLN CA C 97 54.430 54.430 54.694 -0.264 18222 2645 1 6 . 1 1 97 97 GLN CB C 97 29.910 29.910 27.584 2.326 18222 2646 1 6 . 1 1 97 97 GLN H H 97 7.640 7.640 8.208 -0.568 18222 2647 1 6 . 1 1 98 98 LEU N N 98 123.810 123.810 124.043 -0.233 18222 2648 1 6 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.465 -0.105 18222 2649 1 6 . 1 1 98 98 LEU CA C 98 52.650 52.650 53.922 -1.272 18222 2650 1 6 . 1 1 98 98 LEU CB C 98 40.460 40.460 42.445 -1.985 18222 2651 1 6 . 1 1 98 98 LEU H H 98 8.270 8.270 7.684 0.586 18222 2652 1 6 . 1 1 99 99 PRO CA C 99 63.180 63.180 62.328 0.852 18222 2653 1 6 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.484 -1.644 18222 2654 1 6 . 1 1 100 100 LYS N N 100 120.630 120.630 120.432 0.198 18222 2655 1 6 . 1 1 100 100 LYS CA C 100 55.730 55.730 56.086 -0.355 18222 2656 1 6 . 1 1 100 100 LYS CB C 100 32.280 32.280 33.110 -0.830 18222 2657 1 6 . 1 1 100 100 LYS H H 100 8.090 8.090 8.352 -0.262 18222 2658 1 6 . 1 1 101 101 ASP N N 101 120.920 120.920 121.018 -0.098 18222 2659 1 6 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.814 -0.624 18222 2660 1 6 . 1 1 101 101 ASP CA C 101 54.000 54.000 54.315 -0.315 18222 2661 1 6 . 1 1 101 101 ASP CB C 101 40.330 40.330 42.222 -1.892 18222 2662 1 6 . 1 1 101 101 ASP H H 101 8.190 8.190 8.407 -0.217 18222 2663 1 6 . 1 1 102 102 ARG N N 102 122.210 122.210 122.612 -0.402 18222 2664 1 6 . 1 1 102 102 ARG CA C 102 55.590 55.590 56.691 -1.101 18222 2665 1 6 . 1 1 102 102 ARG CB C 102 29.630 29.630 31.268 -1.638 18222 2666 1 6 . 1 1 102 102 ARG H H 102 8.130 8.130 8.471 -0.341 18222 2667 1 6 . 1 1 103 103 SER N N 103 117.230 117.230 119.880 -2.650 18222 2668 1 6 . 1 1 103 103 SER HA H 103 4.280 4.280 4.275 0.005 18222 2669 1 6 . 1 1 103 103 SER CA C 103 58.470 58.470 59.329 -0.859 18222 2670 1 6 . 1 1 103 103 SER CB C 103 63.080 63.080 63.568 -0.488 18222 2671 1 6 . 1 1 103 103 SER H H 103 8.290 8.290 8.528 -0.238 18222 2672 1 6 . 1 1 104 104 THR N N 104 115.430 115.430 112.613 2.817 18222 2673 1 6 . 1 1 104 104 THR CA C 104 61.570 61.570 62.872 -1.302 18222 2674 1 6 . 1 1 104 104 THR CB C 104 69.030 69.030 68.335 0.694 18222 2675 1 6 . 1 1 104 104 THR H H 104 8.020 8.020 8.016 0.004 18222 2676 1 6 . 1 1 105 105 ASP N N 105 122.780 122.780 121.629 1.151 18222 2677 1 6 . 1 1 105 105 ASP CA C 105 54.210 54.210 54.361 -0.151 18222 2678 1 6 . 1 1 105 105 ASP CB C 105 40.380 40.380 41.219 -0.840 18222 2679 1 6 . 1 1 105 105 ASP H H 105 8.120 8.120 8.162 -0.042 18222 2680 1 6 . 1 1 106 106 GLN N N 106 120.960 120.960 119.354 1.606 18222 2681 1 6 . 1 1 106 106 GLN CA C 106 55.420 55.420 57.055 -1.635 18222 2682 1 6 . 1 1 106 106 GLN CB C 106 28.310 28.310 29.176 -0.866 18222 2683 1 6 . 1 1 106 106 GLN H H 106 8.140 8.140 8.260 -0.120 18222 2684 1 6 . 1 1 107 107 ARG N N 107 123.010 123.010 121.178 1.832 18222 2685 1 6 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.727 -0.517 18222 2686 1 6 . 1 1 107 107 ARG CA C 107 55.560 55.560 56.005 -0.445 18222 2687 1 6 . 1 1 107 107 ARG CB C 107 29.920 29.920 31.448 -1.528 18222 2688 1 6 . 1 1 107 107 ARG H H 107 8.180 8.180 8.639 -0.459 18222 2689 1 7 . 1 1 2 2 VAL N N 2 121.590 121.590 119.922 1.668 18222 2690 1 7 . 1 1 2 2 VAL CA C 2 61.600 61.600 62.017 -0.417 18222 2691 1 7 . 1 1 2 2 VAL CB C 2 31.900 31.900 32.181 -0.281 18222 2692 1 7 . 1 1 2 2 VAL H H 2 8.010 8.010 8.009 0.001 18222 2693 1 7 . 1 1 3 3 ASN N N 3 122.520 122.520 120.998 1.522 18222 2694 1 7 . 1 1 3 3 ASN HA H 3 4.020 4.020 4.335 -0.315 18222 2695 1 7 . 1 1 3 3 ASN CA C 3 52.640 52.640 53.670 -1.030 18222 2696 1 7 . 1 1 3 3 ASN CB C 3 38.330 38.330 38.664 -0.334 18222 2697 1 7 . 1 1 3 3 ASN H H 3 8.360 8.360 8.593 -0.233 18222 2698 1 7 . 1 1 4 4 LEU N N 4 123.830 123.830 121.335 2.495 18222 2699 1 7 . 1 1 4 4 LEU HA H 4 4.220 4.220 3.957 0.263 18222 2700 1 7 . 1 1 4 4 LEU CA C 4 54.620 54.620 56.420 -1.800 18222 2701 1 7 . 1 1 4 4 LEU CB C 4 41.680 41.680 40.427 1.253 18222 2702 1 7 . 1 1 4 4 LEU H H 4 8.220 8.220 8.589 -0.369 18222 2703 1 7 . 1 1 5 5 GLY N N 5 106.810 106.810 109.003 -2.193 18222 2704 1 7 . 1 1 5 5 GLY CA C 5 45.800 45.800 45.053 0.746 18222 2705 1 7 . 1 1 5 5 GLY H H 5 8.030 8.030 7.665 0.365 18222 2706 1 7 . 1 1 6 6 LEU N N 6 120.820 120.820 123.675 -2.855 18222 2707 1 7 . 1 1 6 6 LEU HA H 6 4.050 4.050 3.992 0.058 18222 2708 1 7 . 1 1 6 6 LEU CA C 6 55.990 55.990 58.069 -2.079 18222 2709 1 7 . 1 1 6 6 LEU CB C 6 40.800 40.800 42.012 -1.212 18222 2710 1 7 . 1 1 6 6 LEU H H 6 8.030 8.030 8.654 -0.624 18222 2711 1 7 . 1 1 7 7 SER N N 7 115.540 115.540 113.380 2.160 18222 2712 1 7 . 1 1 7 7 SER HA H 7 4.100 4.100 4.109 -0.009 18222 2713 1 7 . 1 1 7 7 SER CA C 7 60.580 60.580 61.348 -0.768 18222 2714 1 7 . 1 1 7 7 SER CB C 7 62.060 62.060 62.427 -0.367 18222 2715 1 7 . 1 1 7 7 SER H H 7 8.360 8.360 8.358 0.002 18222 2716 1 7 . 1 1 8 8 ARG N N 8 120.690 120.690 121.526 -0.836 18222 2717 1 7 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.185 -0.025 18222 2718 1 7 . 1 1 8 8 ARG CA C 8 57.350 57.350 59.034 -1.684 18222 2719 1 7 . 1 1 8 8 ARG CB C 8 29.230 29.230 29.891 -0.661 18222 2720 1 7 . 1 1 8 8 ARG H H 8 7.830 7.830 8.231 -0.401 18222 2721 1 7 . 1 1 9 9 VAL N N 9 119.330 119.330 120.023 -0.693 18222 2722 1 7 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.709 0.461 18222 2723 1 7 . 1 1 9 9 VAL CA C 9 64.720 64.720 67.163 -2.443 18222 2724 1 7 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.509 -0.609 18222 2725 1 7 . 1 1 9 9 VAL H H 9 7.620 7.620 8.572 -0.952 18222 2726 1 7 . 1 1 10 10 ASP N N 10 119.520 119.520 119.883 -0.363 18222 2727 1 7 . 1 1 10 10 ASP CA C 10 54.960 54.960 57.636 -2.676 18222 2728 1 7 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.439 -2.639 18222 2729 1 7 . 1 1 10 10 ASP H H 10 8.180 8.180 8.221 -0.041 18222 2730 1 7 . 1 1 11 11 ASP N N 11 121.550 121.550 121.200 0.350 18222 2731 1 7 . 1 1 11 11 ASP CA C 11 54.440 54.440 57.280 -2.840 18222 2732 1 7 . 1 1 11 11 ASP CB C 11 37.840 37.840 40.921 -3.081 18222 2733 1 7 . 1 1 11 11 ASP H H 11 7.950 7.950 8.439 -0.489 18222 2734 1 7 . 1 1 12 12 ALA N N 12 120.220 120.220 122.653 -2.433 18222 2735 1 7 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.242 -0.872 18222 2736 1 7 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.498 6.232 18222 2737 1 7 . 1 1 12 12 ALA H H 12 8.090 8.090 8.132 -0.042 18222 2738 1 7 . 1 1 13 13 VAL N N 13 116.910 116.910 115.118 1.792 18222 2739 1 7 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.678 0.462 18222 2740 1 7 . 1 1 13 13 VAL CA C 13 64.900 64.900 65.743 -0.843 18222 2741 1 7 . 1 1 13 13 VAL CB C 13 31.000 31.000 31.436 -0.436 18222 2742 1 7 . 1 1 13 13 VAL H H 13 7.980 7.980 8.327 -0.347 18222 2743 1 7 . 1 1 14 14 ALA N N 14 122.200 122.200 123.457 -1.257 18222 2744 1 7 . 1 1 14 14 ALA HA H 14 4.020 4.020 4.213 -0.193 18222 2745 1 7 . 1 1 14 14 ALA CA C 14 53.800 53.800 55.072 -1.272 18222 2746 1 7 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.366 -0.576 18222 2747 1 7 . 1 1 14 14 ALA H H 14 8.030 8.030 8.335 -0.305 18222 2748 1 7 . 1 1 15 15 ALA N N 15 118.600 118.600 118.770 -0.170 18222 2749 1 7 . 1 1 15 15 ALA CA C 15 53.230 53.230 54.421 -1.191 18222 2750 1 7 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.562 -0.552 18222 2751 1 7 . 1 1 15 15 ALA H H 15 7.530 7.530 8.061 -0.531 18222 2752 1 7 . 1 1 16 16 LYS N N 16 115.820 115.820 117.367 -1.547 18222 2753 1 7 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.240 -0.160 18222 2754 1 7 . 1 1 16 16 LYS CA C 16 55.670 55.670 57.533 -1.863 18222 2755 1 7 . 1 1 16 16 LYS CB C 16 32.640 32.640 33.598 -0.958 18222 2756 1 7 . 1 1 16 16 LYS H H 16 7.490 7.490 7.829 -0.339 18222 2757 1 7 . 1 1 17 17 HIS N N 17 116.790 116.790 119.023 -2.233 18222 2758 1 7 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.939 -0.839 18222 2759 1 7 . 1 1 17 17 HIS CA C 17 52.820 52.820 52.631 0.189 18222 2760 1 7 . 1 1 17 17 HIS CB C 17 28.400 28.400 30.966 -2.566 18222 2761 1 7 . 1 1 17 17 HIS H H 17 8.130 8.130 8.467 -0.337 18222 2762 1 7 . 1 1 18 18 PRO CA C 18 63.800 63.800 62.907 0.893 18222 2763 1 7 . 1 1 18 18 PRO CB C 18 30.800 30.800 32.907 -2.107 18222 2764 1 7 . 1 1 19 19 GLY N N 19 110.260 110.260 108.261 1.999 18222 2765 1 7 . 1 1 19 19 GLY CA C 19 45.490 45.490 45.094 0.396 18222 2766 1 7 . 1 1 19 19 GLY H H 19 8.730 8.730 8.449 0.281 18222 2767 1 7 . 1 1 20 20 LEU N N 20 122.650 122.650 125.881 -3.231 18222 2768 1 7 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.403 -0.313 18222 2769 1 7 . 1 1 20 20 LEU CA C 20 57.060 57.060 57.012 0.048 18222 2770 1 7 . 1 1 20 20 LEU H H 20 7.980 7.980 8.267 -0.287 18222 2771 1 7 . 1 1 21 21 GLY N N 21 107.000 107.000 106.888 0.112 18222 2772 1 7 . 1 1 21 21 GLY CA C 21 46.710 46.710 47.478 -0.769 18222 2773 1 7 . 1 1 21 21 GLY H H 21 8.570 8.570 8.957 -0.387 18222 2774 1 7 . 1 1 22 22 GLU N N 22 121.610 121.610 121.958 -0.348 18222 2775 1 7 . 1 1 22 22 GLU HA H 22 3.990 3.990 4.038 -0.048 18222 2776 1 7 . 1 1 22 22 GLU CA C 22 58.280 58.280 59.590 -1.310 18222 2777 1 7 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.344 -1.334 18222 2778 1 7 . 1 1 22 22 GLU H H 22 8.100 8.100 8.273 -0.173 18222 2779 1 7 . 1 1 23 23 TYR N N 23 120.870 120.870 120.126 0.744 18222 2780 1 7 . 1 1 23 23 TYR CA C 23 60.380 60.380 60.930 -0.550 18222 2781 1 7 . 1 1 23 23 TYR CB C 23 37.750 37.750 37.913 -0.163 18222 2782 1 7 . 1 1 23 23 TYR H H 23 7.910 7.910 7.800 0.110 18222 2783 1 7 . 1 1 24 24 ALA N N 24 121.420 121.420 121.744 -0.324 18222 2784 1 7 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.055 0.085 18222 2785 1 7 . 1 1 24 24 ALA CA C 24 54.260 54.260 54.945 -0.685 18222 2786 1 7 . 1 1 24 24 ALA H H 24 8.410 8.410 8.754 -0.344 18222 2787 1 7 . 1 1 25 25 ALA N N 25 120.220 120.220 122.094 -1.874 18222 2788 1 7 . 1 1 25 25 ALA CA C 25 54.370 54.370 55.094 -0.724 18222 2789 1 7 . 1 1 25 25 ALA H H 25 8.090 8.090 8.551 -0.461 18222 2790 1 7 . 1 1 26 26 CYS N N 26 116.760 116.760 117.190 -0.430 18222 2791 1 7 . 1 1 26 26 CYS CA C 26 61.180 61.180 61.746 -0.566 18222 2792 1 7 . 1 1 26 26 CYS CB C 26 26.390 26.390 26.709 -0.319 18222 2793 1 7 . 1 1 26 26 CYS H H 26 7.950 7.950 8.499 -0.549 18222 2794 1 7 . 1 1 27 27 GLN N N 27 118.690 118.690 121.204 -2.514 18222 2795 1 7 . 1 1 27 27 GLN CA C 27 55.970 55.970 59.807 -3.837 18222 2796 1 7 . 1 1 27 27 GLN H H 27 8.060 8.060 8.304 -0.244 18222 2797 1 7 . 1 1 28 28 SER N N 28 115.490 115.490 115.074 0.416 18222 2798 1 7 . 1 1 28 28 SER HA H 28 3.990 3.990 4.092 -0.102 18222 2799 1 7 . 1 1 28 28 SER CA C 28 61.110 61.110 61.523 -0.413 18222 2800 1 7 . 1 1 28 28 SER H H 28 7.980 7.980 8.642 -0.662 18222 2801 1 7 . 1 1 29 29 HIS N N 29 120.880 120.880 121.774 -0.894 18222 2802 1 7 . 1 1 29 29 HIS CA C 29 58.190 58.190 59.789 -1.599 18222 2803 1 7 . 1 1 29 29 HIS CB C 29 27.460 27.460 29.945 -2.486 18222 2804 1 7 . 1 1 29 29 HIS H H 29 8.180 8.180 8.387 -0.207 18222 2805 1 7 . 1 1 30 30 ALA N N 30 122.920 122.920 122.886 0.034 18222 2806 1 7 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.418 -0.858 18222 2807 1 7 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.276 -0.786 18222 2808 1 7 . 1 1 30 30 ALA H H 30 8.040 8.040 8.006 0.034 18222 2809 1 7 . 1 1 31 31 PHE N N 31 119.340 119.340 119.973 -0.633 18222 2810 1 7 . 1 1 31 31 PHE CA C 31 60.370 60.370 61.731 -1.361 18222 2811 1 7 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.156 -0.636 18222 2812 1 7 . 1 1 31 31 PHE H H 31 8.230 8.230 8.267 -0.037 18222 2813 1 7 . 1 1 32 32 MET N N 32 118.110 118.110 118.765 -0.655 18222 2814 1 7 . 1 1 32 32 MET HA H 32 4.050 4.050 4.108 -0.058 18222 2815 1 7 . 1 1 32 32 MET CA C 32 58.280 58.280 59.372 -1.092 18222 2816 1 7 . 1 1 32 32 MET CB C 32 31.090 31.090 32.639 -1.550 18222 2817 1 7 . 1 1 32 32 MET H H 32 8.120 8.120 8.744 -0.624 18222 2818 1 7 . 1 1 33 33 LYS N N 33 119.040 119.040 119.731 -0.691 18222 2819 1 7 . 1 1 33 33 LYS HA H 33 3.930 3.930 3.851 0.079 18222 2820 1 7 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.892 -0.853 18222 2821 1 7 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.131 -1.141 18222 2822 1 7 . 1 1 33 33 LYS H H 33 7.970 7.970 8.372 -0.402 18222 2823 1 7 . 1 1 34 34 GLY N N 34 108.840 108.840 107.152 1.688 18222 2824 1 7 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.297 -0.687 18222 2825 1 7 . 1 1 34 34 GLY H H 34 8.030 8.030 8.220 -0.190 18222 2826 1 7 . 1 1 35 35 VAL N N 35 122.910 122.910 122.186 0.724 18222 2827 1 7 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.623 0.597 18222 2828 1 7 . 1 1 35 35 VAL CA C 35 66.310 66.310 65.569 0.741 18222 2829 1 7 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.302 -0.742 18222 2830 1 7 . 1 1 35 35 VAL H H 35 8.090 8.090 7.966 0.124 18222 2831 1 7 . 1 1 36 36 PHE N N 36 120.020 120.020 121.154 -1.134 18222 2832 1 7 . 1 1 36 36 PHE CA C 36 61.350 61.350 62.861 -1.512 18222 2833 1 7 . 1 1 36 36 PHE CB C 36 38.090 38.090 39.075 -0.985 18222 2834 1 7 . 1 1 36 36 PHE H H 36 8.350 8.350 8.577 -0.227 18222 2835 1 7 . 1 1 37 37 THR N N 37 116.980 116.980 115.808 1.172 18222 2836 1 7 . 1 1 37 37 THR HA H 37 4.050 4.050 3.997 0.053 18222 2837 1 7 . 1 1 37 37 THR CA C 37 66.000 66.000 66.772 -0.772 18222 2838 1 7 . 1 1 37 37 THR CB C 37 68.270 68.270 68.915 -0.645 18222 2839 1 7 . 1 1 37 37 THR H H 37 8.520 8.520 8.123 0.397 18222 2840 1 7 . 1 1 38 38 PHE N N 38 123.090 123.090 121.596 1.494 18222 2841 1 7 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.266 0.094 18222 2842 1 7 . 1 1 38 38 PHE CA C 38 61.140 61.140 61.919 -0.779 18222 2843 1 7 . 1 1 38 38 PHE CB C 38 41.200 41.200 39.466 1.734 18222 2844 1 7 . 1 1 38 38 PHE H H 38 8.010 8.010 8.232 -0.222 18222 2845 1 7 . 1 1 39 39 VAL N N 39 117.280 117.280 118.999 -1.719 18222 2846 1 7 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.647 0.563 18222 2847 1 7 . 1 1 39 39 VAL CA C 39 66.000 66.000 66.425 -0.425 18222 2848 1 7 . 1 1 39 39 VAL CB C 39 30.860 30.860 31.244 -0.384 18222 2849 1 7 . 1 1 39 39 VAL H H 39 8.530 8.530 8.660 -0.130 18222 2850 1 7 . 1 1 40 40 THR N N 40 109.470 109.470 113.767 -4.297 18222 2851 1 7 . 1 1 40 40 THR HA H 40 4.060 4.060 4.179 -0.119 18222 2852 1 7 . 1 1 40 40 THR CA C 40 63.390 63.390 63.762 -0.372 18222 2853 1 7 . 1 1 40 40 THR CB C 40 68.650 68.650 68.421 0.229 18222 2854 1 7 . 1 1 40 40 THR H H 40 7.700 7.700 8.033 -0.333 18222 2855 1 7 . 1 1 41 41 GLY N N 41 110.770 110.770 108.484 2.286 18222 2856 1 7 . 1 1 41 41 GLY CA C 41 45.580 45.580 44.867 0.713 18222 2857 1 7 . 1 1 41 41 GLY H H 41 7.700 7.700 7.801 -0.101 18222 2858 1 7 . 1 1 42 42 THR N N 42 114.520 114.520 115.840 -1.320 18222 2859 1 7 . 1 1 42 42 THR CA C 42 63.300 63.300 60.734 2.566 18222 2860 1 7 . 1 1 42 42 THR CB C 42 69.490 69.490 68.775 0.715 18222 2861 1 7 . 1 1 42 42 THR H H 42 7.720 7.720 7.270 0.450 18222 2862 1 7 . 1 1 43 43 GLY N N 43 109.540 109.540 111.502 -1.962 18222 2863 1 7 . 1 1 43 43 GLY CA C 43 46.250 46.250 46.671 -0.421 18222 2864 1 7 . 1 1 43 43 GLY H H 43 8.110 8.110 8.781 -0.671 18222 2865 1 7 . 1 1 44 44 MET N N 44 120.240 120.240 119.619 0.621 18222 2866 1 7 . 1 1 44 44 MET HA H 44 4.100 4.100 4.115 -0.015 18222 2867 1 7 . 1 1 44 44 MET CA C 44 57.700 57.700 58.318 -0.618 18222 2868 1 7 . 1 1 44 44 MET CB C 44 32.030 32.030 31.749 0.281 18222 2869 1 7 . 1 1 44 44 MET H H 44 7.730 7.730 7.901 -0.171 18222 2870 1 7 . 1 1 45 45 ALA N N 45 121.560 121.560 122.249 -0.689 18222 2871 1 7 . 1 1 45 45 ALA CA C 45 54.440 54.440 54.733 -0.293 18222 2872 1 7 . 1 1 45 45 ALA CB C 45 17.400 17.400 18.000 -0.600 18222 2873 1 7 . 1 1 45 45 ALA H H 45 7.950 7.950 7.656 0.294 18222 2874 1 7 . 1 1 46 46 PHE N N 46 118.260 118.260 120.176 -1.916 18222 2875 1 7 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.160 -0.230 18222 2876 1 7 . 1 1 46 46 PHE CA C 46 59.820 59.820 60.524 -0.704 18222 2877 1 7 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.986 -0.726 18222 2878 1 7 . 1 1 46 46 PHE H H 46 7.860 7.860 8.169 -0.309 18222 2879 1 7 . 1 1 47 47 GLY N N 47 107.300 107.300 107.371 -0.071 18222 2880 1 7 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.149 -0.589 18222 2881 1 7 . 1 1 47 47 GLY H H 47 8.200 8.200 8.598 -0.398 18222 2882 1 7 . 1 1 48 48 LEU N N 48 121.920 121.920 123.383 -1.463 18222 2883 1 7 . 1 1 48 48 LEU HA H 48 4.040 4.040 3.935 0.105 18222 2884 1 7 . 1 1 48 48 LEU CA C 48 57.580 57.580 58.154 -0.574 18222 2885 1 7 . 1 1 48 48 LEU CB C 48 40.790 40.790 42.067 -1.277 18222 2886 1 7 . 1 1 48 48 LEU H H 48 8.180 8.180 8.084 0.096 18222 2887 1 7 . 1 1 49 49 GLN N N 49 118.270 118.270 117.665 0.605 18222 2888 1 7 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.940 -0.110 18222 2889 1 7 . 1 1 49 49 GLN CA C 49 58.880 58.880 58.520 0.360 18222 2890 1 7 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.223 -0.983 18222 2891 1 7 . 1 1 49 49 GLN H H 49 8.080 8.080 8.328 -0.248 18222 2892 1 7 . 1 1 50 50 MET N N 50 117.630 117.630 121.198 -3.568 18222 2893 1 7 . 1 1 50 50 MET HA H 50 4.010 4.010 4.083 -0.073 18222 2894 1 7 . 1 1 50 50 MET CA C 50 57.730 57.730 59.159 -1.429 18222 2895 1 7 . 1 1 50 50 MET CB C 50 27.160 27.160 32.810 -5.650 18222 2896 1 7 . 1 1 50 50 MET H H 50 7.880 7.880 7.930 -0.050 18222 2897 1 7 . 1 1 51 51 PHE N N 51 119.550 119.550 120.643 -1.093 18222 2898 1 7 . 1 1 51 51 PHE CA C 51 60.850 60.850 61.753 -0.903 18222 2899 1 7 . 1 1 51 51 PHE CB C 51 38.720 38.720 39.373 -0.653 18222 2900 1 7 . 1 1 51 51 PHE H H 51 7.890 7.890 8.496 -0.606 18222 2901 1 7 . 1 1 52 52 ILE N N 52 117.950 117.950 118.095 -0.145 18222 2902 1 7 . 1 1 52 52 ILE HA H 52 4.050 4.050 3.802 0.248 18222 2903 1 7 . 1 1 52 52 ILE CA C 52 63.560 63.560 64.269 -0.709 18222 2904 1 7 . 1 1 52 52 ILE CB C 52 36.810 36.810 38.282 -1.472 18222 2905 1 7 . 1 1 52 52 ILE H H 52 8.110 8.110 8.291 -0.181 18222 2906 1 7 . 1 1 53 53 GLN N N 53 117.360 117.360 120.716 -3.356 18222 2907 1 7 . 1 1 53 53 GLN CA C 53 57.200 57.200 58.788 -1.588 18222 2908 1 7 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.390 -0.520 18222 2909 1 7 . 1 1 53 53 GLN H H 53 7.930 7.930 8.270 -0.340 18222 2910 1 7 . 1 1 54 54 ARG N N 54 116.840 116.840 118.286 -1.446 18222 2911 1 7 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.117 -0.167 18222 2912 1 7 . 1 1 54 54 ARG CA C 54 56.480 56.480 58.387 -1.907 18222 2913 1 7 . 1 1 54 54 ARG CB C 54 28.970 28.970 29.994 -1.024 18222 2914 1 7 . 1 1 54 54 ARG H H 54 7.540 7.540 7.705 -0.165 18222 2915 1 7 . 1 1 55 55 LYS N N 55 117.900 117.900 116.978 0.922 18222 2916 1 7 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.250 -0.170 18222 2917 1 7 . 1 1 55 55 LYS CA C 55 55.030 55.030 57.064 -2.034 18222 2918 1 7 . 1 1 55 55 LYS CB C 55 32.010 32.010 33.193 -1.183 18222 2919 1 7 . 1 1 55 55 LYS H H 55 7.660 7.660 7.353 0.307 18222 2920 1 7 . 1 1 56 56 PHE N N 56 121.060 121.060 120.226 0.834 18222 2921 1 7 . 1 1 56 56 PHE CA C 56 55.190 55.190 54.846 0.343 18222 2922 1 7 . 1 1 56 56 PHE CB C 56 38.970 38.970 39.045 -0.075 18222 2923 1 7 . 1 1 56 56 PHE H H 56 8.080 8.080 8.306 -0.226 18222 2924 1 7 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.740 -1.350 18222 2925 1 7 . 1 1 57 57 PRO CB C 57 30.580 30.580 31.959 -1.379 18222 2926 1 7 . 1 1 58 58 TYR N N 58 120.240 120.240 119.951 0.289 18222 2927 1 7 . 1 1 58 58 TYR CA C 58 55.770 55.770 54.645 1.125 18222 2928 1 7 . 1 1 58 58 TYR CB C 58 40.220 40.220 39.031 1.189 18222 2929 1 7 . 1 1 58 58 TYR H H 58 7.700 7.700 7.976 -0.276 18222 2930 1 7 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.787 -1.657 18222 2931 1 7 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.404 0.936 18222 2932 1 7 . 1 1 60 60 LEU N N 60 122.210 122.210 119.096 3.114 18222 2933 1 7 . 1 1 60 60 LEU CA C 60 54.250 54.250 53.757 0.493 18222 2934 1 7 . 1 1 60 60 LEU CB C 60 41.470 41.470 43.728 -2.258 18222 2935 1 7 . 1 1 60 60 LEU H H 60 7.880 7.880 7.560 0.320 18222 2936 1 7 . 1 1 61 61 GLN N N 61 122.470 122.470 121.966 0.504 18222 2937 1 7 . 1 1 61 61 GLN CA C 61 54.170 54.170 54.871 -0.701 18222 2938 1 7 . 1 1 61 61 GLN H H 61 7.970 7.970 8.493 -0.523 18222 2939 1 7 . 1 1 62 62 TRP N N 62 124.590 124.590 125.639 -1.049 18222 2940 1 7 . 1 1 62 62 TRP CA C 62 59.830 59.830 60.306 -0.476 18222 2941 1 7 . 1 1 62 62 TRP CB C 62 28.800 28.800 29.189 -0.389 18222 2942 1 7 . 1 1 62 62 TRP H H 62 8.240 8.240 8.738 -0.498 18222 2943 1 7 . 1 1 63 63 SER N N 63 113.320 113.320 114.930 -1.610 18222 2944 1 7 . 1 1 63 63 SER CA C 63 61.100 61.100 61.392 -0.292 18222 2945 1 7 . 1 1 63 63 SER H H 63 8.410 8.410 8.279 0.131 18222 2946 1 7 . 1 1 64 64 LEU N N 64 123.230 123.230 122.997 0.233 18222 2947 1 7 . 1 1 64 64 LEU CA C 64 56.880 56.880 56.621 0.259 18222 2948 1 7 . 1 1 64 64 LEU CB C 64 40.830 40.830 41.455 -0.625 18222 2949 1 7 . 1 1 64 64 LEU H H 64 7.230 7.230 7.630 -0.400 18222 2950 1 7 . 1 1 65 65 LEU N N 65 119.400 119.400 120.629 -1.229 18222 2951 1 7 . 1 1 65 65 LEU HA H 65 3.890 3.890 4.081 -0.191 18222 2952 1 7 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.218 -0.638 18222 2953 1 7 . 1 1 65 65 LEU CB C 65 40.710 40.710 41.562 -0.852 18222 2954 1 7 . 1 1 65 65 LEU H H 65 7.510 7.510 8.414 -0.904 18222 2955 1 7 . 1 1 66 66 VAL N N 66 116.950 116.950 119.095 -2.145 18222 2956 1 7 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.516 0.444 18222 2957 1 7 . 1 1 66 66 VAL CA C 66 66.260 66.260 65.645 0.615 18222 2958 1 7 . 1 1 66 66 VAL CB C 66 30.570 30.570 30.851 -0.281 18222 2959 1 7 . 1 1 66 66 VAL H H 66 7.950 7.950 8.002 -0.052 18222 2960 1 7 . 1 1 67 67 ALA N N 67 120.650 120.650 122.568 -1.918 18222 2961 1 7 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.052 -0.052 18222 2962 1 7 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.125 -0.345 18222 2963 1 7 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.375 -0.935 18222 2964 1 7 . 1 1 67 67 ALA H H 67 7.450 7.450 7.822 -0.372 18222 2965 1 7 . 1 1 68 68 VAL N N 68 118.440 118.440 118.755 -0.315 18222 2966 1 7 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.549 0.201 18222 2967 1 7 . 1 1 68 68 VAL CA C 68 65.250 65.250 67.247 -1.997 18222 2968 1 7 . 1 1 68 68 VAL CB C 68 30.850 30.850 32.161 -1.311 18222 2969 1 7 . 1 1 68 68 VAL H H 68 7.960 7.960 7.723 0.237 18222 2970 1 7 . 1 1 69 69 VAL N N 69 120.800 120.800 120.070 0.730 18222 2971 1 7 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.521 0.699 18222 2972 1 7 . 1 1 69 69 VAL CA C 69 66.020 66.020 67.333 -1.313 18222 2973 1 7 . 1 1 69 69 VAL CB C 69 30.850 30.850 31.483 -0.633 18222 2974 1 7 . 1 1 69 69 VAL H H 69 8.080 8.080 8.417 -0.337 18222 2975 1 7 . 1 1 70 70 ALA N N 70 121.740 121.740 120.677 1.063 18222 2976 1 7 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.157 -0.237 18222 2977 1 7 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.352 -0.432 18222 2978 1 7 . 1 1 70 70 ALA CB C 70 17.620 17.620 17.962 -0.342 18222 2979 1 7 . 1 1 70 70 ALA H H 70 8.660 8.660 8.471 0.189 18222 2980 1 7 . 1 1 71 71 GLY N N 71 103.450 103.450 106.937 -3.487 18222 2981 1 7 . 1 1 71 71 GLY CA C 71 46.300 46.300 47.094 -0.794 18222 2982 1 7 . 1 1 71 71 GLY H H 71 8.010 8.010 8.093 -0.083 18222 2983 1 7 . 1 1 72 72 SER N N 72 118.160 118.160 118.267 -0.107 18222 2984 1 7 . 1 1 72 72 SER CA C 72 61.260 61.260 62.263 -1.003 18222 2985 1 7 . 1 1 72 72 SER CB C 72 62.870 62.870 63.084 -0.214 18222 2986 1 7 . 1 1 72 72 SER H H 72 7.870 7.870 8.110 -0.240 18222 2987 1 7 . 1 1 73 73 VAL N N 73 121.340 121.340 121.969 -0.629 18222 2988 1 7 . 1 1 73 73 VAL CA C 73 65.750 65.750 66.957 -1.207 18222 2989 1 7 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.522 -0.782 18222 2990 1 7 . 1 1 73 73 VAL H H 73 8.050 8.050 8.200 -0.150 18222 2991 1 7 . 1 1 74 74 VAL N N 74 118.680 118.680 118.983 -0.303 18222 2992 1 7 . 1 1 74 74 VAL CA C 74 65.770 65.770 66.282 -0.512 18222 2993 1 7 . 1 1 74 74 VAL CB C 74 30.740 30.740 30.494 0.246 18222 2994 1 7 . 1 1 74 74 VAL H H 74 7.880 7.880 8.610 -0.730 18222 2995 1 7 . 1 1 75 75 SER N N 75 114.750 114.750 116.420 -1.670 18222 2996 1 7 . 1 1 75 75 SER HA H 75 4.100 4.100 4.218 -0.118 18222 2997 1 7 . 1 1 75 75 SER CA C 75 60.870 60.870 62.308 -1.438 18222 2998 1 7 . 1 1 75 75 SER CB C 75 62.340 62.340 63.062 -0.722 18222 2999 1 7 . 1 1 75 75 SER H H 75 7.870 7.870 8.008 -0.138 18222 3000 1 7 . 1 1 76 76 TYR N N 76 121.110 121.110 122.790 -1.680 18222 3001 1 7 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.942 -1.892 18222 3002 1 7 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.648 -0.668 18222 3003 1 7 . 1 1 76 76 TYR H H 76 7.860 7.860 8.478 -0.618 18222 3004 1 7 . 1 1 77 77 GLY N N 77 107.300 107.300 106.797 0.503 18222 3005 1 7 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.188 -0.628 18222 3006 1 7 . 1 1 77 77 GLY H H 77 8.200 8.200 8.490 -0.290 18222 3007 1 7 . 1 1 78 78 VAL N N 78 119.470 119.470 121.013 -1.543 18222 3008 1 7 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.725 0.445 18222 3009 1 7 . 1 1 78 78 VAL CA C 78 64.650 64.650 65.692 -1.042 18222 3010 1 7 . 1 1 78 78 VAL H H 78 8.140 8.140 8.663 -0.523 18222 3011 1 7 . 1 1 79 79 THR N N 79 112.100 112.100 116.285 -4.185 18222 3012 1 7 . 1 1 79 79 THR CA C 79 63.460 63.460 67.064 -3.604 18222 3013 1 7 . 1 1 79 79 THR CB C 79 68.650 68.650 68.594 0.057 18222 3014 1 7 . 1 1 79 79 THR H H 79 7.640 7.640 7.991 -0.351 18222 3015 1 7 . 1 1 80 80 ARG N N 80 120.770 120.770 122.075 -1.305 18222 3016 1 7 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.087 0.073 18222 3017 1 7 . 1 1 80 80 ARG CA C 80 56.790 56.790 59.781 -2.991 18222 3018 1 7 . 1 1 80 80 ARG CB C 80 29.430 29.430 30.223 -0.793 18222 3019 1 7 . 1 1 80 80 ARG H H 80 7.680 7.680 8.034 -0.354 18222 3020 1 7 . 1 1 81 81 VAL N N 81 118.370 118.370 120.297 -1.927 18222 3021 1 7 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.760 0.160 18222 3022 1 7 . 1 1 81 81 VAL CA C 81 63.340 63.340 66.151 -2.811 18222 3023 1 7 . 1 1 81 81 VAL CB C 81 31.260 31.260 32.200 -0.940 18222 3024 1 7 . 1 1 81 81 VAL H H 81 7.730 7.730 8.338 -0.608 18222 3025 1 7 . 1 1 82 82 GLU N N 82 120.620 120.620 119.373 1.247 18222 3026 1 7 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.431 -3.111 18222 3027 1 7 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.269 -1.339 18222 3028 1 7 . 1 1 82 82 GLU H H 82 7.920 7.920 8.272 -0.352 18222 3029 1 7 . 1 1 83 83 SER N N 83 116.240 116.240 115.829 0.411 18222 3030 1 7 . 1 1 83 83 SER CA C 83 59.250 59.250 61.852 -2.603 18222 3031 1 7 . 1 1 83 83 SER CB C 83 63.160 63.160 63.019 0.141 18222 3032 1 7 . 1 1 83 83 SER H H 83 7.960 7.960 8.110 -0.150 18222 3033 1 7 . 1 1 84 84 GLU N N 84 123.280 123.280 122.313 0.967 18222 3034 1 7 . 1 1 84 84 GLU HA H 84 4.080 4.080 4.010 0.070 18222 3035 1 7 . 1 1 84 84 GLU CA C 84 57.860 57.860 59.693 -1.833 18222 3036 1 7 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.781 -1.591 18222 3037 1 7 . 1 1 84 84 GLU H H 84 8.470 8.470 8.197 0.273 18222 3038 1 7 . 1 1 85 85 LYS N N 85 118.650 118.650 119.699 -1.049 18222 3039 1 7 . 1 1 85 85 LYS HA H 85 4.100 4.100 4.059 0.041 18222 3040 1 7 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.242 -1.462 18222 3041 1 7 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.122 -0.742 18222 3042 1 7 . 1 1 85 85 LYS H H 85 7.940 7.940 8.148 -0.208 18222 3043 1 7 . 1 1 86 86 CYS N N 86 117.070 117.070 118.171 -1.101 18222 3044 1 7 . 1 1 86 86 CYS CA C 86 60.910 60.910 61.860 -0.950 18222 3045 1 7 . 1 1 86 86 CYS CB C 86 26.740 26.740 26.472 0.268 18222 3046 1 7 . 1 1 86 86 CYS H H 86 7.840 7.840 8.207 -0.367 18222 3047 1 7 . 1 1 87 87 ASN N N 87 119.370 119.370 119.047 0.323 18222 3048 1 7 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.724 -0.594 18222 3049 1 7 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.889 -1.139 18222 3050 1 7 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.157 -0.107 18222 3051 1 7 . 1 1 87 87 ASN H H 87 8.110 8.110 8.585 -0.475 18222 3052 1 7 . 1 1 88 88 ASN N N 88 117.570 117.570 119.445 -1.875 18222 3053 1 7 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.517 -0.237 18222 3054 1 7 . 1 1 88 88 ASN CA C 88 55.190 55.190 55.989 -0.798 18222 3055 1 7 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.188 -0.788 18222 3056 1 7 . 1 1 88 88 ASN H H 88 8.280 8.280 8.336 -0.056 18222 3057 1 7 . 1 1 89 89 LEU N N 89 121.940 121.940 121.758 0.182 18222 3058 1 7 . 1 1 89 89 LEU HA H 89 4.070 4.070 3.872 0.198 18222 3059 1 7 . 1 1 89 89 LEU CA C 89 57.580 57.580 59.143 -1.563 18222 3060 1 7 . 1 1 89 89 LEU CB C 89 40.490 40.490 41.848 -1.358 18222 3061 1 7 . 1 1 89 89 LEU H H 89 7.790 7.790 8.397 -0.607 18222 3062 1 7 . 1 1 90 90 TRP N N 90 119.220 119.220 121.466 -2.246 18222 3063 1 7 . 1 1 90 90 TRP CA C 90 59.120 59.120 61.263 -2.143 18222 3064 1 7 . 1 1 90 90 TRP CB C 90 28.800 28.800 28.874 -0.074 18222 3065 1 7 . 1 1 90 90 TRP H H 90 7.850 7.850 8.441 -0.591 18222 3066 1 7 . 1 1 91 91 LEU N N 91 117.870 117.870 121.162 -3.292 18222 3067 1 7 . 1 1 91 91 LEU CA C 91 57.300 57.300 58.288 -0.987 18222 3068 1 7 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.585 -0.975 18222 3069 1 7 . 1 1 91 91 LEU H H 91 7.920 7.920 7.996 -0.076 18222 3070 1 7 . 1 1 92 92 PHE N N 92 121.280 121.280 117.780 3.500 18222 3071 1 7 . 1 1 92 92 PHE CA C 92 60.390 60.390 61.679 -1.289 18222 3072 1 7 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.353 -0.373 18222 3073 1 7 . 1 1 92 92 PHE H H 92 7.860 7.860 8.272 -0.412 18222 3074 1 7 . 1 1 93 93 LEU N N 93 119.860 119.860 120.431 -0.571 18222 3075 1 7 . 1 1 93 93 LEU CA C 93 56.860 56.860 58.847 -1.987 18222 3076 1 7 . 1 1 93 93 LEU CB C 93 40.550 40.550 41.993 -1.443 18222 3077 1 7 . 1 1 93 93 LEU H H 93 7.980 7.980 8.868 -0.888 18222 3078 1 7 . 1 1 94 94 GLU N N 94 114.660 114.660 118.628 -3.968 18222 3079 1 7 . 1 1 94 94 GLU HA H 94 3.810 3.810 4.101 -0.291 18222 3080 1 7 . 1 1 94 94 GLU CA C 94 57.210 57.210 59.029 -1.819 18222 3081 1 7 . 1 1 94 94 GLU CB C 94 28.470 28.470 29.590 -1.120 18222 3082 1 7 . 1 1 94 94 GLU H H 94 7.890 7.890 8.494 -0.604 18222 3083 1 7 . 1 1 95 95 THR N N 95 108.260 108.260 111.710 -3.450 18222 3084 1 7 . 1 1 95 95 THR CA C 95 62.150 62.150 63.063 -0.913 18222 3085 1 7 . 1 1 95 95 THR CB C 95 70.810 70.810 69.788 1.022 18222 3086 1 7 . 1 1 95 95 THR H H 95 7.690 7.690 7.764 -0.074 18222 3087 1 7 . 1 1 96 96 GLY N N 96 112.220 112.220 109.432 2.788 18222 3088 1 7 . 1 1 96 96 GLY CA C 96 45.410 45.410 44.779 0.631 18222 3089 1 7 . 1 1 96 96 GLY H H 96 8.240 8.240 7.840 0.400 18222 3090 1 7 . 1 1 97 97 GLN N N 97 117.950 117.950 120.764 -2.814 18222 3091 1 7 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.546 -0.346 18222 3092 1 7 . 1 1 97 97 GLN CA C 97 54.430 54.430 54.627 -0.197 18222 3093 1 7 . 1 1 97 97 GLN CB C 97 29.910 29.910 28.133 1.777 18222 3094 1 7 . 1 1 97 97 GLN H H 97 7.640 7.640 8.343 -0.703 18222 3095 1 7 . 1 1 98 98 LEU N N 98 123.810 123.810 121.435 2.375 18222 3096 1 7 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.737 -0.377 18222 3097 1 7 . 1 1 98 98 LEU CA C 98 52.650 52.650 52.949 -0.299 18222 3098 1 7 . 1 1 98 98 LEU CB C 98 40.460 40.460 41.429 -0.969 18222 3099 1 7 . 1 1 98 98 LEU H H 98 8.270 8.270 7.567 0.703 18222 3100 1 7 . 1 1 99 99 PRO CA C 99 63.180 63.180 64.028 -0.848 18222 3101 1 7 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.181 -1.341 18222 3102 1 7 . 1 1 100 100 LYS N N 100 120.630 120.630 115.685 4.945 18222 3103 1 7 . 1 1 100 100 LYS CA C 100 55.730 55.730 56.051 -0.321 18222 3104 1 7 . 1 1 100 100 LYS CB C 100 32.280 32.280 33.462 -1.182 18222 3105 1 7 . 1 1 100 100 LYS H H 100 8.090 8.090 7.658 0.432 18222 3106 1 7 . 1 1 101 101 ASP N N 101 120.920 120.920 120.817 0.103 18222 3107 1 7 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.654 -0.464 18222 3108 1 7 . 1 1 101 101 ASP CA C 101 54.000 54.000 55.377 -1.377 18222 3109 1 7 . 1 1 101 101 ASP CB C 101 40.330 40.330 40.971 -0.641 18222 3110 1 7 . 1 1 101 101 ASP H H 101 8.190 8.190 8.424 -0.234 18222 3111 1 7 . 1 1 102 102 ARG N N 102 122.210 122.210 124.195 -1.985 18222 3112 1 7 . 1 1 102 102 ARG CA C 102 55.590 55.590 55.649 -0.059 18222 3113 1 7 . 1 1 102 102 ARG CB C 102 29.630 29.630 31.387 -1.757 18222 3114 1 7 . 1 1 102 102 ARG H H 102 8.130 8.130 8.526 -0.396 18222 3115 1 7 . 1 1 103 103 SER N N 103 117.230 117.230 120.284 -3.054 18222 3116 1 7 . 1 1 103 103 SER HA H 103 4.280 4.280 4.689 -0.409 18222 3117 1 7 . 1 1 103 103 SER CA C 103 58.470 58.470 58.426 0.044 18222 3118 1 7 . 1 1 103 103 SER CB C 103 63.080 63.080 64.557 -1.477 18222 3119 1 7 . 1 1 103 103 SER H H 103 8.290 8.290 8.255 0.035 18222 3120 1 7 . 1 1 104 104 THR N N 104 115.430 115.430 117.094 -1.664 18222 3121 1 7 . 1 1 104 104 THR CA C 104 61.570 61.570 63.106 -1.536 18222 3122 1 7 . 1 1 104 104 THR CB C 104 69.030 69.030 69.495 -0.465 18222 3123 1 7 . 1 1 104 104 THR H H 104 8.020 8.020 8.349 -0.329 18222 3124 1 7 . 1 1 105 105 ASP N N 105 122.780 122.780 123.898 -1.118 18222 3125 1 7 . 1 1 105 105 ASP CA C 105 54.210 54.210 54.103 0.107 18222 3126 1 7 . 1 1 105 105 ASP CB C 105 40.380 40.380 41.592 -1.212 18222 3127 1 7 . 1 1 105 105 ASP H H 105 8.120 8.120 8.340 -0.220 18222 3128 1 7 . 1 1 106 106 GLN N N 106 120.960 120.960 119.572 1.388 18222 3129 1 7 . 1 1 106 106 GLN CA C 106 55.420 55.420 55.593 -0.173 18222 3130 1 7 . 1 1 106 106 GLN CB C 106 28.310 28.310 30.944 -2.634 18222 3131 1 7 . 1 1 106 106 GLN H H 106 8.140 8.140 8.209 -0.069 18222 3132 1 7 . 1 1 107 107 ARG N N 107 123.010 123.010 123.644 -0.634 18222 3133 1 7 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.851 -0.641 18222 3134 1 7 . 1 1 107 107 ARG CA C 107 55.560 55.560 55.949 -0.389 18222 3135 1 7 . 1 1 107 107 ARG CB C 107 29.920 29.920 32.532 -2.611 18222 3136 1 7 . 1 1 107 107 ARG H H 107 8.180 8.180 8.894 -0.714 18222 3137 1 8 . 1 1 2 2 VAL N N 2 121.590 121.590 122.967 -1.377 18222 3138 1 8 . 1 1 2 2 VAL CA C 2 61.600 61.600 62.058 -0.458 18222 3139 1 8 . 1 1 2 2 VAL CB C 2 31.900 31.900 32.702 -0.802 18222 3140 1 8 . 1 1 2 2 VAL H H 2 8.010 8.010 7.918 0.092 18222 3141 1 8 . 1 1 3 3 ASN N N 3 122.520 122.520 124.217 -1.697 18222 3142 1 8 . 1 1 3 3 ASN HA H 3 4.020 4.020 4.376 -0.356 18222 3143 1 8 . 1 1 3 3 ASN CA C 3 52.640 52.640 53.700 -1.060 18222 3144 1 8 . 1 1 3 3 ASN CB C 3 38.330 38.330 38.812 -0.482 18222 3145 1 8 . 1 1 3 3 ASN H H 3 8.360 8.360 8.672 -0.312 18222 3146 1 8 . 1 1 4 4 LEU N N 4 123.830 123.830 119.669 4.161 18222 3147 1 8 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.145 0.075 18222 3148 1 8 . 1 1 4 4 LEU CA C 4 54.620 54.620 55.132 -0.512 18222 3149 1 8 . 1 1 4 4 LEU CB C 4 41.680 41.680 42.551 -0.871 18222 3150 1 8 . 1 1 4 4 LEU H H 4 8.220 8.220 8.153 0.067 18222 3151 1 8 . 1 1 5 5 GLY N N 5 106.810 106.810 111.185 -4.375 18222 3152 1 8 . 1 1 5 5 GLY CA C 5 45.800 45.800 44.772 1.028 18222 3153 1 8 . 1 1 5 5 GLY H H 5 8.030 8.030 7.995 0.035 18222 3154 1 8 . 1 1 6 6 LEU N N 6 120.820 120.820 121.365 -0.545 18222 3155 1 8 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.389 -0.339 18222 3156 1 8 . 1 1 6 6 LEU CA C 6 55.990 55.990 56.871 -0.881 18222 3157 1 8 . 1 1 6 6 LEU CB C 6 40.800 40.800 41.642 -0.842 18222 3158 1 8 . 1 1 6 6 LEU H H 6 8.030 8.030 8.476 -0.446 18222 3159 1 8 . 1 1 7 7 SER N N 7 115.540 115.540 115.904 -0.364 18222 3160 1 8 . 1 1 7 7 SER HA H 7 4.100 4.100 4.153 -0.053 18222 3161 1 8 . 1 1 7 7 SER CA C 7 60.580 60.580 61.732 -1.152 18222 3162 1 8 . 1 1 7 7 SER CB C 7 62.060 62.060 62.761 -0.701 18222 3163 1 8 . 1 1 7 7 SER H H 7 8.360 8.360 8.457 -0.097 18222 3164 1 8 . 1 1 8 8 ARG N N 8 120.690 120.690 121.174 -0.484 18222 3165 1 8 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.065 0.095 18222 3166 1 8 . 1 1 8 8 ARG CA C 8 57.350 57.350 59.450 -2.100 18222 3167 1 8 . 1 1 8 8 ARG CB C 8 29.230 29.230 30.069 -0.839 18222 3168 1 8 . 1 1 8 8 ARG H H 8 7.830 7.830 8.449 -0.619 18222 3169 1 8 . 1 1 9 9 VAL N N 9 119.330 119.330 120.286 -0.956 18222 3170 1 8 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.663 0.507 18222 3171 1 8 . 1 1 9 9 VAL CA C 9 64.720 64.720 66.919 -2.199 18222 3172 1 8 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.313 -0.413 18222 3173 1 8 . 1 1 9 9 VAL H H 9 7.620 7.620 7.481 0.139 18222 3174 1 8 . 1 1 10 10 ASP N N 10 119.520 119.520 120.249 -0.729 18222 3175 1 8 . 1 1 10 10 ASP CA C 10 54.960 54.960 57.508 -2.548 18222 3176 1 8 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.090 -2.290 18222 3177 1 8 . 1 1 10 10 ASP H H 10 8.180 8.180 8.211 -0.031 18222 3178 1 8 . 1 1 11 11 ASP N N 11 121.550 121.550 120.265 1.285 18222 3179 1 8 . 1 1 11 11 ASP CA C 11 54.440 54.440 57.024 -2.584 18222 3180 1 8 . 1 1 11 11 ASP CB C 11 37.840 37.840 40.740 -2.900 18222 3181 1 8 . 1 1 11 11 ASP H H 11 7.950 7.950 8.259 -0.309 18222 3182 1 8 . 1 1 12 12 ALA N N 12 120.220 120.220 122.569 -2.349 18222 3183 1 8 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.169 -0.799 18222 3184 1 8 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.486 6.244 18222 3185 1 8 . 1 1 12 12 ALA H H 12 8.090 8.090 7.989 0.101 18222 3186 1 8 . 1 1 13 13 VAL N N 13 116.910 116.910 118.148 -1.238 18222 3187 1 8 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.541 0.599 18222 3188 1 8 . 1 1 13 13 VAL CA C 13 64.900 64.900 66.457 -1.558 18222 3189 1 8 . 1 1 13 13 VAL CB C 13 31.000 31.000 31.376 -0.376 18222 3190 1 8 . 1 1 13 13 VAL H H 13 7.980 7.980 8.139 -0.159 18222 3191 1 8 . 1 1 14 14 ALA N N 14 122.200 122.200 122.332 -0.132 18222 3192 1 8 . 1 1 14 14 ALA HA H 14 4.020 4.020 4.050 -0.030 18222 3193 1 8 . 1 1 14 14 ALA CA C 14 53.800 53.800 54.864 -1.065 18222 3194 1 8 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.303 -0.513 18222 3195 1 8 . 1 1 14 14 ALA H H 14 8.030 8.030 8.058 -0.028 18222 3196 1 8 . 1 1 15 15 ALA N N 15 118.600 118.600 119.109 -0.509 18222 3197 1 8 . 1 1 15 15 ALA CA C 15 53.230 53.230 53.955 -0.725 18222 3198 1 8 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.418 -0.408 18222 3199 1 8 . 1 1 15 15 ALA H H 15 7.530 7.530 7.958 -0.428 18222 3200 1 8 . 1 1 16 16 LYS N N 16 115.820 115.820 116.312 -0.492 18222 3201 1 8 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.170 -0.090 18222 3202 1 8 . 1 1 16 16 LYS CA C 16 55.670 55.670 57.391 -1.721 18222 3203 1 8 . 1 1 16 16 LYS CB C 16 32.640 32.640 32.966 -0.326 18222 3204 1 8 . 1 1 16 16 LYS H H 16 7.490 7.490 7.622 -0.132 18222 3205 1 8 . 1 1 17 17 HIS N N 17 116.790 116.790 117.692 -0.902 18222 3206 1 8 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.913 -0.813 18222 3207 1 8 . 1 1 17 17 HIS CA C 17 52.820 52.820 53.098 -0.278 18222 3208 1 8 . 1 1 17 17 HIS CB C 17 28.400 28.400 30.368 -1.968 18222 3209 1 8 . 1 1 17 17 HIS H H 17 8.130 8.130 7.614 0.516 18222 3210 1 8 . 1 1 18 18 PRO CA C 18 63.800 63.800 63.430 0.370 18222 3211 1 8 . 1 1 18 18 PRO CB C 18 30.800 30.800 32.701 -1.901 18222 3212 1 8 . 1 1 19 19 GLY N N 19 110.260 110.260 105.442 4.818 18222 3213 1 8 . 1 1 19 19 GLY CA C 19 45.490 45.490 44.450 1.040 18222 3214 1 8 . 1 1 19 19 GLY H H 19 8.730 8.730 7.456 1.274 18222 3215 1 8 . 1 1 20 20 LEU N N 20 122.650 122.650 125.024 -2.374 18222 3216 1 8 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.113 -0.023 18222 3217 1 8 . 1 1 20 20 LEU CA C 20 57.060 57.060 58.099 -1.039 18222 3218 1 8 . 1 1 20 20 LEU H H 20 7.980 7.980 8.475 -0.495 18222 3219 1 8 . 1 1 21 21 GLY N N 21 107.000 107.000 105.671 1.329 18222 3220 1 8 . 1 1 21 21 GLY CA C 21 46.710 46.710 47.086 -0.376 18222 3221 1 8 . 1 1 21 21 GLY H H 21 8.570 8.570 8.477 0.093 18222 3222 1 8 . 1 1 22 22 GLU N N 22 121.610 121.610 122.505 -0.895 18222 3223 1 8 . 1 1 22 22 GLU HA H 22 3.990 3.990 4.048 -0.058 18222 3224 1 8 . 1 1 22 22 GLU CA C 22 58.280 58.280 59.855 -1.575 18222 3225 1 8 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.349 -1.339 18222 3226 1 8 . 1 1 22 22 GLU H H 22 8.100 8.100 8.311 -0.211 18222 3227 1 8 . 1 1 23 23 TYR N N 23 120.870 120.870 120.973 -0.103 18222 3228 1 8 . 1 1 23 23 TYR CA C 23 60.380 60.380 61.542 -1.162 18222 3229 1 8 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.348 -0.598 18222 3230 1 8 . 1 1 23 23 TYR H H 23 7.910 7.910 8.832 -0.922 18222 3231 1 8 . 1 1 24 24 ALA N N 24 121.420 121.420 120.636 0.784 18222 3232 1 8 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.671 0.469 18222 3233 1 8 . 1 1 24 24 ALA CA C 24 54.260 54.260 54.919 -0.659 18222 3234 1 8 . 1 1 24 24 ALA H H 24 8.410 8.410 8.308 0.102 18222 3235 1 8 . 1 1 25 25 ALA N N 25 120.220 120.220 121.213 -0.993 18222 3236 1 8 . 1 1 25 25 ALA CA C 25 54.370 54.370 54.596 -0.226 18222 3237 1 8 . 1 1 25 25 ALA H H 25 8.090 8.090 7.755 0.335 18222 3238 1 8 . 1 1 26 26 CYS N N 26 116.760 116.760 117.143 -0.383 18222 3239 1 8 . 1 1 26 26 CYS CA C 26 61.180 61.180 62.525 -1.345 18222 3240 1 8 . 1 1 26 26 CYS CB C 26 26.390 26.390 27.148 -0.758 18222 3241 1 8 . 1 1 26 26 CYS H H 26 7.950 7.950 8.052 -0.102 18222 3242 1 8 . 1 1 27 27 GLN N N 27 118.690 118.690 120.568 -1.878 18222 3243 1 8 . 1 1 27 27 GLN CA C 27 55.970 55.970 59.269 -3.299 18222 3244 1 8 . 1 1 27 27 GLN H H 27 8.060 8.060 7.924 0.136 18222 3245 1 8 . 1 1 28 28 SER N N 28 115.490 115.490 114.532 0.958 18222 3246 1 8 . 1 1 28 28 SER HA H 28 3.990 3.990 4.123 -0.133 18222 3247 1 8 . 1 1 28 28 SER CA C 28 61.110 61.110 61.979 -0.869 18222 3248 1 8 . 1 1 28 28 SER H H 28 7.980 7.980 8.194 -0.214 18222 3249 1 8 . 1 1 29 29 HIS N N 29 120.880 120.880 120.658 0.222 18222 3250 1 8 . 1 1 29 29 HIS CA C 29 58.190 58.190 60.117 -1.927 18222 3251 1 8 . 1 1 29 29 HIS CB C 29 27.460 27.460 29.749 -2.289 18222 3252 1 8 . 1 1 29 29 HIS H H 29 8.180 8.180 8.210 -0.030 18222 3253 1 8 . 1 1 30 30 ALA N N 30 122.920 122.920 122.748 0.172 18222 3254 1 8 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.308 -0.748 18222 3255 1 8 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.315 -0.825 18222 3256 1 8 . 1 1 30 30 ALA H H 30 8.040 8.040 8.090 -0.050 18222 3257 1 8 . 1 1 31 31 PHE N N 31 119.340 119.340 119.478 -0.138 18222 3258 1 8 . 1 1 31 31 PHE CA C 31 60.370 60.370 61.106 -0.736 18222 3259 1 8 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.052 -0.532 18222 3260 1 8 . 1 1 31 31 PHE H H 31 8.230 8.230 8.331 -0.101 18222 3261 1 8 . 1 1 32 32 MET N N 32 118.110 118.110 118.161 -0.051 18222 3262 1 8 . 1 1 32 32 MET HA H 32 4.050 4.050 4.039 0.011 18222 3263 1 8 . 1 1 32 32 MET CA C 32 58.280 58.280 58.236 0.044 18222 3264 1 8 . 1 1 32 32 MET CB C 32 31.090 31.090 32.346 -1.256 18222 3265 1 8 . 1 1 32 32 MET H H 32 8.120 8.120 8.547 -0.427 18222 3266 1 8 . 1 1 33 33 LYS N N 33 119.040 119.040 119.941 -0.901 18222 3267 1 8 . 1 1 33 33 LYS HA H 33 3.930 3.930 4.023 -0.093 18222 3268 1 8 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.974 -0.933 18222 3269 1 8 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.392 -1.402 18222 3270 1 8 . 1 1 33 33 LYS H H 33 7.970 7.970 8.346 -0.376 18222 3271 1 8 . 1 1 34 34 GLY N N 34 108.840 108.840 108.053 0.787 18222 3272 1 8 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.237 -0.627 18222 3273 1 8 . 1 1 34 34 GLY H H 34 8.030 8.030 8.266 -0.236 18222 3274 1 8 . 1 1 35 35 VAL N N 35 122.910 122.910 122.316 0.594 18222 3275 1 8 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.665 0.555 18222 3276 1 8 . 1 1 35 35 VAL CA C 35 66.310 66.310 65.717 0.593 18222 3277 1 8 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.731 -1.171 18222 3278 1 8 . 1 1 35 35 VAL H H 35 8.090 8.090 7.968 0.122 18222 3279 1 8 . 1 1 36 36 PHE N N 36 120.020 120.020 119.649 0.371 18222 3280 1 8 . 1 1 36 36 PHE CA C 36 61.350 61.350 62.000 -0.650 18222 3281 1 8 . 1 1 36 36 PHE CB C 36 38.090 38.090 39.011 -0.921 18222 3282 1 8 . 1 1 36 36 PHE H H 36 8.350 8.350 8.199 0.151 18222 3283 1 8 . 1 1 37 37 THR N N 37 116.980 116.980 116.439 0.541 18222 3284 1 8 . 1 1 37 37 THR HA H 37 4.050 4.050 3.987 0.063 18222 3285 1 8 . 1 1 37 37 THR CA C 37 66.000 66.000 66.935 -0.935 18222 3286 1 8 . 1 1 37 37 THR CB C 37 68.270 68.270 68.872 -0.602 18222 3287 1 8 . 1 1 37 37 THR H H 37 8.520 8.520 8.456 0.064 18222 3288 1 8 . 1 1 38 38 PHE N N 38 123.090 123.090 120.646 2.444 18222 3289 1 8 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.233 0.127 18222 3290 1 8 . 1 1 38 38 PHE CA C 38 61.140 61.140 61.432 -0.292 18222 3291 1 8 . 1 1 38 38 PHE CB C 38 41.200 41.200 39.413 1.787 18222 3292 1 8 . 1 1 38 38 PHE H H 38 8.010 8.010 7.999 0.011 18222 3293 1 8 . 1 1 39 39 VAL N N 39 117.280 117.280 120.903 -3.623 18222 3294 1 8 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.703 0.507 18222 3295 1 8 . 1 1 39 39 VAL CA C 39 66.000 66.000 65.458 0.542 18222 3296 1 8 . 1 1 39 39 VAL CB C 39 30.860 30.860 31.993 -1.133 18222 3297 1 8 . 1 1 39 39 VAL H H 39 8.530 8.530 8.965 -0.435 18222 3298 1 8 . 1 1 40 40 THR N N 40 109.470 109.470 114.204 -4.734 18222 3299 1 8 . 1 1 40 40 THR HA H 40 4.060 4.060 3.888 0.172 18222 3300 1 8 . 1 1 40 40 THR CA C 40 63.390 63.390 65.178 -1.788 18222 3301 1 8 . 1 1 40 40 THR CB C 40 68.650 68.650 68.393 0.257 18222 3302 1 8 . 1 1 40 40 THR H H 40 7.700 7.700 7.854 -0.154 18222 3303 1 8 . 1 1 41 41 GLY N N 41 110.770 110.770 107.215 3.555 18222 3304 1 8 . 1 1 41 41 GLY CA C 41 45.580 45.580 44.725 0.855 18222 3305 1 8 . 1 1 41 41 GLY H H 41 7.700 7.700 7.340 0.360 18222 3306 1 8 . 1 1 42 42 THR N N 42 114.520 114.520 120.643 -6.123 18222 3307 1 8 . 1 1 42 42 THR CA C 42 63.300 63.300 62.690 0.610 18222 3308 1 8 . 1 1 42 42 THR CB C 42 69.490 69.490 67.307 2.183 18222 3309 1 8 . 1 1 42 42 THR H H 42 7.720 7.720 8.135 -0.415 18222 3310 1 8 . 1 1 43 43 GLY N N 43 109.540 109.540 112.741 -3.201 18222 3311 1 8 . 1 1 43 43 GLY CA C 43 46.250 46.250 46.257 -0.007 18222 3312 1 8 . 1 1 43 43 GLY H H 43 8.110 8.110 8.194 -0.084 18222 3313 1 8 . 1 1 44 44 MET N N 44 120.240 120.240 121.194 -0.954 18222 3314 1 8 . 1 1 44 44 MET HA H 44 4.100 4.100 4.089 0.011 18222 3315 1 8 . 1 1 44 44 MET CA C 44 57.700 57.700 58.273 -0.572 18222 3316 1 8 . 1 1 44 44 MET CB C 44 32.030 32.030 32.517 -0.487 18222 3317 1 8 . 1 1 44 44 MET H H 44 7.730 7.730 8.022 -0.292 18222 3318 1 8 . 1 1 45 45 ALA N N 45 121.560 121.560 121.814 -0.254 18222 3319 1 8 . 1 1 45 45 ALA CA C 45 54.440 54.440 55.160 -0.720 18222 3320 1 8 . 1 1 45 45 ALA CB C 45 17.400 17.400 17.930 -0.530 18222 3321 1 8 . 1 1 45 45 ALA H H 45 7.950 7.950 7.699 0.251 18222 3322 1 8 . 1 1 46 46 PHE N N 46 118.260 118.260 119.319 -1.059 18222 3323 1 8 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.174 -0.244 18222 3324 1 8 . 1 1 46 46 PHE CA C 46 59.820 59.820 60.252 -0.432 18222 3325 1 8 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.568 -0.308 18222 3326 1 8 . 1 1 46 46 PHE H H 46 7.860 7.860 8.084 -0.224 18222 3327 1 8 . 1 1 47 47 GLY N N 47 107.300 107.300 108.080 -0.780 18222 3328 1 8 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.355 -0.795 18222 3329 1 8 . 1 1 47 47 GLY H H 47 8.200 8.200 8.564 -0.364 18222 3330 1 8 . 1 1 48 48 LEU N N 48 121.920 121.920 122.873 -0.953 18222 3331 1 8 . 1 1 48 48 LEU HA H 48 4.040 4.040 4.117 -0.077 18222 3332 1 8 . 1 1 48 48 LEU CA C 48 57.580 57.580 57.564 0.016 18222 3333 1 8 . 1 1 48 48 LEU CB C 48 40.790 40.790 40.935 -0.145 18222 3334 1 8 . 1 1 48 48 LEU H H 48 8.180 8.180 8.269 -0.089 18222 3335 1 8 . 1 1 49 49 GLN N N 49 118.270 118.270 119.325 -1.055 18222 3336 1 8 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.991 -0.161 18222 3337 1 8 . 1 1 49 49 GLN CA C 49 58.880 58.880 59.206 -0.327 18222 3338 1 8 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.545 -1.305 18222 3339 1 8 . 1 1 49 49 GLN H H 49 8.080 8.080 8.246 -0.166 18222 3340 1 8 . 1 1 50 50 MET N N 50 117.630 117.630 119.410 -1.780 18222 3341 1 8 . 1 1 50 50 MET HA H 50 4.010 4.010 4.205 -0.195 18222 3342 1 8 . 1 1 50 50 MET CA C 50 57.730 57.730 59.333 -1.603 18222 3343 1 8 . 1 1 50 50 MET CB C 50 27.160 27.160 32.854 -5.694 18222 3344 1 8 . 1 1 50 50 MET H H 50 7.880 7.880 8.273 -0.393 18222 3345 1 8 . 1 1 51 51 PHE N N 51 119.550 119.550 119.983 -0.433 18222 3346 1 8 . 1 1 51 51 PHE CA C 51 60.850 60.850 61.535 -0.685 18222 3347 1 8 . 1 1 51 51 PHE CB C 51 38.720 38.720 39.368 -0.648 18222 3348 1 8 . 1 1 51 51 PHE H H 51 7.890 7.890 8.170 -0.280 18222 3349 1 8 . 1 1 52 52 ILE N N 52 117.950 117.950 118.131 -0.181 18222 3350 1 8 . 1 1 52 52 ILE HA H 52 4.050 4.050 3.956 0.094 18222 3351 1 8 . 1 1 52 52 ILE CA C 52 63.560 63.560 64.309 -0.749 18222 3352 1 8 . 1 1 52 52 ILE CB C 52 36.810 36.810 38.576 -1.766 18222 3353 1 8 . 1 1 52 52 ILE H H 52 8.110 8.110 8.588 -0.478 18222 3354 1 8 . 1 1 53 53 GLN N N 53 117.360 117.360 119.522 -2.162 18222 3355 1 8 . 1 1 53 53 GLN CA C 53 57.200 57.200 58.482 -1.282 18222 3356 1 8 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.024 -0.154 18222 3357 1 8 . 1 1 53 53 GLN H H 53 7.930 7.930 8.329 -0.399 18222 3358 1 8 . 1 1 54 54 ARG N N 54 116.840 116.840 120.139 -3.299 18222 3359 1 8 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.122 -0.172 18222 3360 1 8 . 1 1 54 54 ARG CA C 54 56.480 56.480 58.584 -2.104 18222 3361 1 8 . 1 1 54 54 ARG CB C 54 28.970 28.970 29.962 -0.992 18222 3362 1 8 . 1 1 54 54 ARG H H 54 7.540 7.540 8.036 -0.496 18222 3363 1 8 . 1 1 55 55 LYS N N 55 117.900 117.900 116.188 1.712 18222 3364 1 8 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.277 -0.197 18222 3365 1 8 . 1 1 55 55 LYS CA C 55 55.030 55.030 56.327 -1.297 18222 3366 1 8 . 1 1 55 55 LYS CB C 55 32.010 32.010 34.328 -2.317 18222 3367 1 8 . 1 1 55 55 LYS H H 55 7.660 7.660 7.446 0.214 18222 3368 1 8 . 1 1 56 56 PHE N N 56 121.060 121.060 120.605 0.455 18222 3369 1 8 . 1 1 56 56 PHE CA C 56 55.190 55.190 55.208 -0.018 18222 3370 1 8 . 1 1 56 56 PHE CB C 56 38.970 38.970 40.561 -1.591 18222 3371 1 8 . 1 1 56 56 PHE H H 56 8.080 8.080 7.761 0.319 18222 3372 1 8 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.627 -1.237 18222 3373 1 8 . 1 1 57 57 PRO CB C 57 30.580 30.580 31.804 -1.224 18222 3374 1 8 . 1 1 58 58 TYR N N 58 120.240 120.240 118.022 2.218 18222 3375 1 8 . 1 1 58 58 TYR CA C 58 55.770 55.770 54.741 1.029 18222 3376 1 8 . 1 1 58 58 TYR CB C 58 40.220 40.220 40.567 -0.347 18222 3377 1 8 . 1 1 58 58 TYR H H 58 7.700 7.700 7.803 -0.103 18222 3378 1 8 . 1 1 59 59 PRO CA C 59 62.130 62.130 64.019 -1.889 18222 3379 1 8 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.462 0.878 18222 3380 1 8 . 1 1 60 60 LEU N N 60 122.210 122.210 118.847 3.363 18222 3381 1 8 . 1 1 60 60 LEU CA C 60 54.250 54.250 53.412 0.838 18222 3382 1 8 . 1 1 60 60 LEU CB C 60 41.470 41.470 43.529 -2.059 18222 3383 1 8 . 1 1 60 60 LEU H H 60 7.880 7.880 7.571 0.309 18222 3384 1 8 . 1 1 61 61 GLN N N 61 122.470 122.470 120.067 2.403 18222 3385 1 8 . 1 1 61 61 GLN CA C 61 54.170 54.170 54.583 -0.413 18222 3386 1 8 . 1 1 61 61 GLN H H 61 7.970 7.970 8.129 -0.159 18222 3387 1 8 . 1 1 62 62 TRP N N 62 124.590 124.590 125.130 -0.540 18222 3388 1 8 . 1 1 62 62 TRP CA C 62 59.830 59.830 60.918 -1.088 18222 3389 1 8 . 1 1 62 62 TRP CB C 62 28.800 28.800 29.129 -0.329 18222 3390 1 8 . 1 1 62 62 TRP H H 62 8.240 8.240 8.674 -0.434 18222 3391 1 8 . 1 1 63 63 SER N N 63 113.320 113.320 114.533 -1.213 18222 3392 1 8 . 1 1 63 63 SER CA C 63 61.100 61.100 61.676 -0.576 18222 3393 1 8 . 1 1 63 63 SER H H 63 8.410 8.410 8.082 0.328 18222 3394 1 8 . 1 1 64 64 LEU N N 64 123.230 123.230 122.504 0.726 18222 3395 1 8 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.436 -0.556 18222 3396 1 8 . 1 1 64 64 LEU CB C 64 40.830 40.830 41.064 -0.234 18222 3397 1 8 . 1 1 64 64 LEU H H 64 7.230 7.230 8.058 -0.828 18222 3398 1 8 . 1 1 65 65 LEU N N 65 119.400 119.400 121.110 -1.710 18222 3399 1 8 . 1 1 65 65 LEU HA H 65 3.890 3.890 4.060 -0.170 18222 3400 1 8 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.325 -0.745 18222 3401 1 8 . 1 1 65 65 LEU CB C 65 40.710 40.710 40.958 -0.248 18222 3402 1 8 . 1 1 65 65 LEU H H 65 7.510 7.510 8.755 -1.245 18222 3403 1 8 . 1 1 66 66 VAL N N 66 116.950 116.950 119.587 -2.637 18222 3404 1 8 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.580 0.380 18222 3405 1 8 . 1 1 66 66 VAL CA C 66 66.260 66.260 65.740 0.520 18222 3406 1 8 . 1 1 66 66 VAL CB C 66 30.570 30.570 30.958 -0.388 18222 3407 1 8 . 1 1 66 66 VAL H H 66 7.950 7.950 8.143 -0.193 18222 3408 1 8 . 1 1 67 67 ALA N N 67 120.650 120.650 122.789 -2.139 18222 3409 1 8 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.062 -0.062 18222 3410 1 8 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.298 -0.518 18222 3411 1 8 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.307 -0.867 18222 3412 1 8 . 1 1 67 67 ALA H H 67 7.450 7.450 7.961 -0.511 18222 3413 1 8 . 1 1 68 68 VAL N N 68 118.440 118.440 119.022 -0.582 18222 3414 1 8 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.764 -0.014 18222 3415 1 8 . 1 1 68 68 VAL CA C 68 65.250 65.250 65.517 -0.267 18222 3416 1 8 . 1 1 68 68 VAL CB C 68 30.850 30.850 31.431 -0.581 18222 3417 1 8 . 1 1 68 68 VAL H H 68 7.960 7.960 7.856 0.104 18222 3418 1 8 . 1 1 69 69 VAL N N 69 120.800 120.800 120.770 0.030 18222 3419 1 8 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.602 0.618 18222 3420 1 8 . 1 1 69 69 VAL CA C 69 66.020 66.020 67.184 -1.164 18222 3421 1 8 . 1 1 69 69 VAL CB C 69 30.850 30.850 31.037 -0.187 18222 3422 1 8 . 1 1 69 69 VAL H H 69 8.080 8.080 8.504 -0.424 18222 3423 1 8 . 1 1 70 70 ALA N N 70 121.740 121.740 120.598 1.142 18222 3424 1 8 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.197 -0.277 18222 3425 1 8 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.219 -0.299 18222 3426 1 8 . 1 1 70 70 ALA CB C 70 17.620 17.620 17.985 -0.365 18222 3427 1 8 . 1 1 70 70 ALA H H 70 8.660 8.660 8.445 0.215 18222 3428 1 8 . 1 1 71 71 GLY N N 71 103.450 103.450 107.764 -4.314 18222 3429 1 8 . 1 1 71 71 GLY CA C 71 46.300 46.300 47.115 -0.815 18222 3430 1 8 . 1 1 71 71 GLY H H 71 8.010 8.010 7.977 0.033 18222 3431 1 8 . 1 1 72 72 SER N N 72 118.160 118.160 118.068 0.092 18222 3432 1 8 . 1 1 72 72 SER CA C 72 61.260 61.260 61.960 -0.700 18222 3433 1 8 . 1 1 72 72 SER CB C 72 62.870 62.870 63.108 -0.238 18222 3434 1 8 . 1 1 72 72 SER H H 72 7.870 7.870 8.265 -0.395 18222 3435 1 8 . 1 1 73 73 VAL N N 73 121.340 121.340 122.039 -0.699 18222 3436 1 8 . 1 1 73 73 VAL CA C 73 65.750 65.750 67.201 -1.451 18222 3437 1 8 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.843 -1.103 18222 3438 1 8 . 1 1 73 73 VAL H H 73 8.050 8.050 8.065 -0.015 18222 3439 1 8 . 1 1 74 74 VAL N N 74 118.680 118.680 119.162 -0.482 18222 3440 1 8 . 1 1 74 74 VAL CA C 74 65.770 65.770 66.721 -0.951 18222 3441 1 8 . 1 1 74 74 VAL CB C 74 30.740 30.740 31.356 -0.616 18222 3442 1 8 . 1 1 74 74 VAL H H 74 7.880 7.880 8.516 -0.636 18222 3443 1 8 . 1 1 75 75 SER N N 75 114.750 114.750 115.893 -1.143 18222 3444 1 8 . 1 1 75 75 SER HA H 75 4.100 4.100 4.214 -0.114 18222 3445 1 8 . 1 1 75 75 SER CA C 75 60.870 60.870 62.033 -1.163 18222 3446 1 8 . 1 1 75 75 SER CB C 75 62.340 62.340 63.192 -0.852 18222 3447 1 8 . 1 1 75 75 SER H H 75 7.870 7.870 8.029 -0.159 18222 3448 1 8 . 1 1 76 76 TYR N N 76 121.110 121.110 122.235 -1.125 18222 3449 1 8 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.554 -1.504 18222 3450 1 8 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.625 -0.645 18222 3451 1 8 . 1 1 76 76 TYR H H 76 7.860 7.860 8.503 -0.643 18222 3452 1 8 . 1 1 77 77 GLY N N 77 107.300 107.300 106.909 0.391 18222 3453 1 8 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.366 -0.806 18222 3454 1 8 . 1 1 77 77 GLY H H 77 8.200 8.200 8.516 -0.316 18222 3455 1 8 . 1 1 78 78 VAL N N 78 119.470 119.470 121.754 -2.284 18222 3456 1 8 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.828 0.342 18222 3457 1 8 . 1 1 78 78 VAL CA C 78 64.650 64.650 66.041 -1.391 18222 3458 1 8 . 1 1 78 78 VAL H H 78 8.140 8.140 8.713 -0.573 18222 3459 1 8 . 1 1 79 79 THR N N 79 112.100 112.100 116.820 -4.720 18222 3460 1 8 . 1 1 79 79 THR CA C 79 63.460 63.460 66.492 -3.032 18222 3461 1 8 . 1 1 79 79 THR CB C 79 68.650 68.650 68.412 0.238 18222 3462 1 8 . 1 1 79 79 THR H H 79 7.640 7.640 7.988 -0.348 18222 3463 1 8 . 1 1 80 80 ARG N N 80 120.770 120.770 121.831 -1.061 18222 3464 1 8 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.075 0.085 18222 3465 1 8 . 1 1 80 80 ARG CA C 80 56.790 56.790 59.697 -2.906 18222 3466 1 8 . 1 1 80 80 ARG CB C 80 29.430 29.430 30.311 -0.881 18222 3467 1 8 . 1 1 80 80 ARG H H 80 7.680 7.680 7.997 -0.317 18222 3468 1 8 . 1 1 81 81 VAL N N 81 118.370 118.370 116.816 1.554 18222 3469 1 8 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.853 0.067 18222 3470 1 8 . 1 1 81 81 VAL CA C 81 63.340 63.340 65.873 -2.533 18222 3471 1 8 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.874 -0.614 18222 3472 1 8 . 1 1 81 81 VAL H H 81 7.730 7.730 8.268 -0.538 18222 3473 1 8 . 1 1 82 82 GLU N N 82 120.620 120.620 119.899 0.721 18222 3474 1 8 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.582 -3.262 18222 3475 1 8 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.332 -1.402 18222 3476 1 8 . 1 1 82 82 GLU H H 82 7.920 7.920 8.577 -0.657 18222 3477 1 8 . 1 1 83 83 SER N N 83 116.240 116.240 116.573 -0.333 18222 3478 1 8 . 1 1 83 83 SER CA C 83 59.250 59.250 61.480 -2.230 18222 3479 1 8 . 1 1 83 83 SER CB C 83 63.160 63.160 63.107 0.053 18222 3480 1 8 . 1 1 83 83 SER H H 83 7.960 7.960 8.064 -0.104 18222 3481 1 8 . 1 1 84 84 GLU N N 84 123.280 123.280 122.113 1.167 18222 3482 1 8 . 1 1 84 84 GLU HA H 84 4.080 4.080 3.896 0.184 18222 3483 1 8 . 1 1 84 84 GLU CA C 84 57.860 57.860 59.753 -1.893 18222 3484 1 8 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.510 -1.320 18222 3485 1 8 . 1 1 84 84 GLU H H 84 8.470 8.470 8.009 0.461 18222 3486 1 8 . 1 1 85 85 LYS N N 85 118.650 118.650 119.438 -0.788 18222 3487 1 8 . 1 1 85 85 LYS HA H 85 4.100 4.100 4.052 0.048 18222 3488 1 8 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.176 -1.396 18222 3489 1 8 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.488 -1.108 18222 3490 1 8 . 1 1 85 85 LYS H H 85 7.940 7.940 7.967 -0.027 18222 3491 1 8 . 1 1 86 86 CYS N N 86 117.070 117.070 118.548 -1.478 18222 3492 1 8 . 1 1 86 86 CYS CA C 86 60.910 60.910 63.630 -2.720 18222 3493 1 8 . 1 1 86 86 CYS CB C 86 26.740 26.740 26.900 -0.160 18222 3494 1 8 . 1 1 86 86 CYS H H 86 7.840 7.840 8.105 -0.265 18222 3495 1 8 . 1 1 87 87 ASN N N 87 119.370 119.370 117.937 1.433 18222 3496 1 8 . 1 1 87 87 ASN HA H 87 4.130 4.130 3.462 0.668 18222 3497 1 8 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.199 -0.449 18222 3498 1 8 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.218 -0.168 18222 3499 1 8 . 1 1 87 87 ASN H H 87 8.110 8.110 8.156 -0.046 18222 3500 1 8 . 1 1 88 88 ASN N N 88 117.570 117.570 119.102 -1.532 18222 3501 1 8 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.299 -0.019 18222 3502 1 8 . 1 1 88 88 ASN CA C 88 55.190 55.190 55.890 -0.700 18222 3503 1 8 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.319 -0.918 18222 3504 1 8 . 1 1 88 88 ASN H H 88 8.280 8.280 8.012 0.268 18222 3505 1 8 . 1 1 89 89 LEU N N 89 121.940 121.940 121.638 0.302 18222 3506 1 8 . 1 1 89 89 LEU HA H 89 4.070 4.070 4.287 -0.217 18222 3507 1 8 . 1 1 89 89 LEU CA C 89 57.580 57.580 58.606 -1.026 18222 3508 1 8 . 1 1 89 89 LEU CB C 89 40.490 40.490 42.131 -1.641 18222 3509 1 8 . 1 1 89 89 LEU H H 89 7.790 7.790 8.343 -0.553 18222 3510 1 8 . 1 1 90 90 TRP N N 90 119.220 119.220 119.181 0.039 18222 3511 1 8 . 1 1 90 90 TRP CA C 90 59.120 59.120 59.068 0.052 18222 3512 1 8 . 1 1 90 90 TRP CB C 90 28.800 28.800 28.096 0.704 18222 3513 1 8 . 1 1 90 90 TRP H H 90 7.850 7.850 8.017 -0.167 18222 3514 1 8 . 1 1 91 91 LEU N N 91 117.870 117.870 121.542 -3.672 18222 3515 1 8 . 1 1 91 91 LEU CA C 91 57.300 57.300 58.648 -1.349 18222 3516 1 8 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.750 -1.140 18222 3517 1 8 . 1 1 91 91 LEU H H 91 7.920 7.920 8.546 -0.626 18222 3518 1 8 . 1 1 92 92 PHE N N 92 121.280 121.280 118.196 3.084 18222 3519 1 8 . 1 1 92 92 PHE CA C 92 60.390 60.390 62.180 -1.790 18222 3520 1 8 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.523 -0.543 18222 3521 1 8 . 1 1 92 92 PHE H H 92 7.860 7.860 7.981 -0.121 18222 3522 1 8 . 1 1 93 93 LEU N N 93 119.860 119.860 119.516 0.344 18222 3523 1 8 . 1 1 93 93 LEU CA C 93 56.860 56.860 58.501 -1.641 18222 3524 1 8 . 1 1 93 93 LEU CB C 93 40.550 40.550 41.887 -1.337 18222 3525 1 8 . 1 1 93 93 LEU H H 93 7.980 7.980 8.835 -0.855 18222 3526 1 8 . 1 1 94 94 GLU N N 94 114.660 114.660 117.847 -3.187 18222 3527 1 8 . 1 1 94 94 GLU HA H 94 3.810 3.810 4.112 -0.302 18222 3528 1 8 . 1 1 94 94 GLU CA C 94 57.210 57.210 59.160 -1.950 18222 3529 1 8 . 1 1 94 94 GLU CB C 94 28.470 28.470 29.713 -1.243 18222 3530 1 8 . 1 1 94 94 GLU H H 94 7.890 7.890 8.242 -0.352 18222 3531 1 8 . 1 1 95 95 THR N N 95 108.260 108.260 112.338 -4.078 18222 3532 1 8 . 1 1 95 95 THR CA C 95 62.150 62.150 62.999 -0.849 18222 3533 1 8 . 1 1 95 95 THR CB C 95 70.810 70.810 70.211 0.599 18222 3534 1 8 . 1 1 95 95 THR H H 95 7.690 7.690 7.702 -0.011 18222 3535 1 8 . 1 1 96 96 GLY N N 96 112.220 112.220 109.689 2.531 18222 3536 1 8 . 1 1 96 96 GLY CA C 96 45.410 45.410 45.181 0.229 18222 3537 1 8 . 1 1 96 96 GLY H H 96 8.240 8.240 8.049 0.191 18222 3538 1 8 . 1 1 97 97 GLN N N 97 117.950 117.950 120.572 -2.622 18222 3539 1 8 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.570 -0.370 18222 3540 1 8 . 1 1 97 97 GLN CA C 97 54.430 54.430 53.892 0.538 18222 3541 1 8 . 1 1 97 97 GLN CB C 97 29.910 29.910 28.887 1.023 18222 3542 1 8 . 1 1 97 97 GLN H H 97 7.640 7.640 8.054 -0.414 18222 3543 1 8 . 1 1 98 98 LEU N N 98 123.810 123.810 122.198 1.612 18222 3544 1 8 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.400 -0.040 18222 3545 1 8 . 1 1 98 98 LEU CA C 98 52.650 52.650 53.697 -1.046 18222 3546 1 8 . 1 1 98 98 LEU CB C 98 40.460 40.460 41.030 -0.570 18222 3547 1 8 . 1 1 98 98 LEU H H 98 8.270 8.270 7.748 0.522 18222 3548 1 8 . 1 1 99 99 PRO CA C 99 63.180 63.180 61.966 1.214 18222 3549 1 8 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.180 -1.340 18222 3550 1 8 . 1 1 100 100 LYS N N 100 120.630 120.630 119.298 1.332 18222 3551 1 8 . 1 1 100 100 LYS CA C 100 55.730 55.730 56.028 -0.298 18222 3552 1 8 . 1 1 100 100 LYS CB C 100 32.280 32.280 32.890 -0.610 18222 3553 1 8 . 1 1 100 100 LYS H H 100 8.090 8.090 8.181 -0.091 18222 3554 1 8 . 1 1 101 101 ASP N N 101 120.920 120.920 120.615 0.305 18222 3555 1 8 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.818 -0.628 18222 3556 1 8 . 1 1 101 101 ASP CA C 101 54.000 54.000 53.564 0.436 18222 3557 1 8 . 1 1 101 101 ASP CB C 101 40.330 40.330 41.817 -1.487 18222 3558 1 8 . 1 1 101 101 ASP H H 101 8.190 8.190 8.003 0.187 18222 3559 1 8 . 1 1 102 102 ARG N N 102 122.210 122.210 118.946 3.264 18222 3560 1 8 . 1 1 102 102 ARG CA C 102 55.590 55.590 55.235 0.355 18222 3561 1 8 . 1 1 102 102 ARG CB C 102 29.630 29.630 31.592 -1.962 18222 3562 1 8 . 1 1 102 102 ARG H H 102 8.130 8.130 8.288 -0.158 18222 3563 1 8 . 1 1 103 103 SER N N 103 117.230 117.230 115.802 1.428 18222 3564 1 8 . 1 1 103 103 SER HA H 103 4.280 4.280 4.784 -0.504 18222 3565 1 8 . 1 1 103 103 SER CA C 103 58.470 58.470 57.639 0.831 18222 3566 1 8 . 1 1 103 103 SER CB C 103 63.080 63.080 65.275 -2.196 18222 3567 1 8 . 1 1 103 103 SER H H 103 8.290 8.290 8.353 -0.063 18222 3568 1 8 . 1 1 104 104 THR N N 104 115.430 115.430 117.064 -1.634 18222 3569 1 8 . 1 1 104 104 THR CA C 104 61.570 61.570 62.224 -0.654 18222 3570 1 8 . 1 1 104 104 THR CB C 104 69.030 69.030 70.048 -1.018 18222 3571 1 8 . 1 1 104 104 THR H H 104 8.020 8.020 8.221 -0.201 18222 3572 1 8 . 1 1 105 105 ASP N N 105 122.780 122.780 122.019 0.761 18222 3573 1 8 . 1 1 105 105 ASP CA C 105 54.210 54.210 54.065 0.145 18222 3574 1 8 . 1 1 105 105 ASP CB C 105 40.380 40.380 41.745 -1.365 18222 3575 1 8 . 1 1 105 105 ASP H H 105 8.120 8.120 8.366 -0.246 18222 3576 1 8 . 1 1 106 106 GLN N N 106 120.960 120.960 120.042 0.918 18222 3577 1 8 . 1 1 106 106 GLN CA C 106 55.420 55.420 55.740 -0.321 18222 3578 1 8 . 1 1 106 106 GLN CB C 106 28.310 28.310 29.752 -1.442 18222 3579 1 8 . 1 1 106 106 GLN H H 106 8.140 8.140 8.160 -0.020 18222 3580 1 8 . 1 1 107 107 ARG N N 107 123.010 123.010 123.644 -0.634 18222 3581 1 8 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.632 -0.422 18222 3582 1 8 . 1 1 107 107 ARG CA C 107 55.560 55.560 57.467 -1.907 18222 3583 1 8 . 1 1 107 107 ARG CB C 107 29.920 29.920 30.779 -0.859 18222 3584 1 8 . 1 1 107 107 ARG H H 107 8.180 8.180 8.847 -0.667 18222 3585 1 9 . 1 1 2 2 VAL N N 2 121.590 121.590 121.346 0.244 18222 3586 1 9 . 1 1 2 2 VAL CA C 2 61.600 61.600 61.547 0.053 18222 3587 1 9 . 1 1 2 2 VAL CB C 2 31.900 31.900 32.744 -0.844 18222 3588 1 9 . 1 1 2 2 VAL H H 2 8.010 8.010 8.375 -0.365 18222 3589 1 9 . 1 1 3 3 ASN N N 3 122.520 122.520 123.324 -0.804 18222 3590 1 9 . 1 1 3 3 ASN HA H 3 4.020 4.020 4.964 -0.944 18222 3591 1 9 . 1 1 3 3 ASN CA C 3 52.640 52.640 53.229 -0.589 18222 3592 1 9 . 1 1 3 3 ASN CB C 3 38.330 38.330 38.504 -0.174 18222 3593 1 9 . 1 1 3 3 ASN H H 3 8.360 8.360 8.506 -0.146 18222 3594 1 9 . 1 1 4 4 LEU N N 4 123.830 123.830 124.759 -0.929 18222 3595 1 9 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.569 -0.349 18222 3596 1 9 . 1 1 4 4 LEU CA C 4 54.620 54.620 55.761 -1.141 18222 3597 1 9 . 1 1 4 4 LEU CB C 4 41.680 41.680 44.303 -2.623 18222 3598 1 9 . 1 1 4 4 LEU H H 4 8.220 8.220 8.464 -0.244 18222 3599 1 9 . 1 1 5 5 GLY N N 5 106.810 106.810 114.355 -7.545 18222 3600 1 9 . 1 1 5 5 GLY CA C 5 45.800 45.800 44.964 0.836 18222 3601 1 9 . 1 1 5 5 GLY H H 5 8.030 8.030 8.900 -0.870 18222 3602 1 9 . 1 1 6 6 LEU N N 6 120.820 120.820 122.260 -1.440 18222 3603 1 9 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.271 -0.221 18222 3604 1 9 . 1 1 6 6 LEU CA C 6 55.990 55.990 57.001 -1.011 18222 3605 1 9 . 1 1 6 6 LEU CB C 6 40.800 40.800 42.631 -1.831 18222 3606 1 9 . 1 1 6 6 LEU H H 6 8.030 8.030 7.646 0.384 18222 3607 1 9 . 1 1 7 7 SER N N 7 115.540 115.540 113.994 1.546 18222 3608 1 9 . 1 1 7 7 SER HA H 7 4.100 4.100 4.111 -0.011 18222 3609 1 9 . 1 1 7 7 SER CA C 7 60.580 60.580 61.623 -1.043 18222 3610 1 9 . 1 1 7 7 SER CB C 7 62.060 62.060 62.746 -0.686 18222 3611 1 9 . 1 1 7 7 SER H H 7 8.360 8.360 8.472 -0.112 18222 3612 1 9 . 1 1 8 8 ARG N N 8 120.690 120.690 121.138 -0.448 18222 3613 1 9 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.062 0.098 18222 3614 1 9 . 1 1 8 8 ARG CA C 8 57.350 57.350 59.392 -2.042 18222 3615 1 9 . 1 1 8 8 ARG CB C 8 29.230 29.230 30.061 -0.831 18222 3616 1 9 . 1 1 8 8 ARG H H 8 7.830 7.830 8.470 -0.640 18222 3617 1 9 . 1 1 9 9 VAL N N 9 119.330 119.330 119.635 -0.305 18222 3618 1 9 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.631 0.539 18222 3619 1 9 . 1 1 9 9 VAL CA C 9 64.720 64.720 66.339 -1.619 18222 3620 1 9 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.713 -0.813 18222 3621 1 9 . 1 1 9 9 VAL H H 9 7.620 7.620 7.445 0.175 18222 3622 1 9 . 1 1 10 10 ASP N N 10 119.520 119.520 120.555 -1.035 18222 3623 1 9 . 1 1 10 10 ASP CA C 10 54.960 54.960 58.145 -3.185 18222 3624 1 9 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.430 -2.630 18222 3625 1 9 . 1 1 10 10 ASP H H 10 8.180 8.180 8.318 -0.138 18222 3626 1 9 . 1 1 11 11 ASP N N 11 121.550 121.550 120.402 1.148 18222 3627 1 9 . 1 1 11 11 ASP CA C 11 54.440 54.440 56.896 -2.456 18222 3628 1 9 . 1 1 11 11 ASP CB C 11 37.840 37.840 40.610 -2.770 18222 3629 1 9 . 1 1 11 11 ASP H H 11 7.950 7.950 8.213 -0.263 18222 3630 1 9 . 1 1 12 12 ALA N N 12 120.220 120.220 123.377 -3.157 18222 3631 1 9 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.198 -0.828 18222 3632 1 9 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.654 6.077 18222 3633 1 9 . 1 1 12 12 ALA H H 12 8.090 8.090 7.961 0.129 18222 3634 1 9 . 1 1 13 13 VAL N N 13 116.910 116.910 118.141 -1.231 18222 3635 1 9 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.784 0.356 18222 3636 1 9 . 1 1 13 13 VAL CA C 13 64.900 64.900 64.521 0.379 18222 3637 1 9 . 1 1 13 13 VAL CB C 13 31.000 31.000 31.224 -0.224 18222 3638 1 9 . 1 1 13 13 VAL H H 13 7.980 7.980 8.261 -0.281 18222 3639 1 9 . 1 1 14 14 ALA N N 14 122.200 122.200 122.238 -0.038 18222 3640 1 9 . 1 1 14 14 ALA HA H 14 4.020 4.020 4.073 -0.053 18222 3641 1 9 . 1 1 14 14 ALA CA C 14 53.800 53.800 55.007 -1.207 18222 3642 1 9 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.201 -0.411 18222 3643 1 9 . 1 1 14 14 ALA H H 14 8.030 8.030 7.815 0.215 18222 3644 1 9 . 1 1 15 15 ALA N N 15 118.600 118.600 117.854 0.746 18222 3645 1 9 . 1 1 15 15 ALA CA C 15 53.230 53.230 53.580 -0.350 18222 3646 1 9 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.427 -0.417 18222 3647 1 9 . 1 1 15 15 ALA H H 15 7.530 7.530 7.643 -0.113 18222 3648 1 9 . 1 1 16 16 LYS N N 16 115.820 115.820 117.753 -1.933 18222 3649 1 9 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.216 -0.136 18222 3650 1 9 . 1 1 16 16 LYS CA C 16 55.670 55.670 57.138 -1.468 18222 3651 1 9 . 1 1 16 16 LYS CB C 16 32.640 32.640 33.228 -0.588 18222 3652 1 9 . 1 1 16 16 LYS H H 16 7.490 7.490 7.619 -0.129 18222 3653 1 9 . 1 1 17 17 HIS N N 17 116.790 116.790 119.269 -2.479 18222 3654 1 9 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.900 -0.800 18222 3655 1 9 . 1 1 17 17 HIS CA C 17 52.820 52.820 53.213 -0.393 18222 3656 1 9 . 1 1 17 17 HIS CB C 17 28.400 28.400 30.562 -2.162 18222 3657 1 9 . 1 1 17 17 HIS H H 17 8.130 8.130 7.656 0.474 18222 3658 1 9 . 1 1 18 18 PRO CA C 18 63.800 63.800 62.533 1.267 18222 3659 1 9 . 1 1 18 18 PRO CB C 18 30.800 30.800 32.919 -2.119 18222 3660 1 9 . 1 1 19 19 GLY N N 19 110.260 110.260 106.614 3.646 18222 3661 1 9 . 1 1 19 19 GLY CA C 19 45.490 45.490 44.723 0.767 18222 3662 1 9 . 1 1 19 19 GLY H H 19 8.730 8.730 8.257 0.473 18222 3663 1 9 . 1 1 20 20 LEU N N 20 122.650 122.650 122.286 0.364 18222 3664 1 9 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.411 -0.321 18222 3665 1 9 . 1 1 20 20 LEU CA C 20 57.060 57.060 57.328 -0.268 18222 3666 1 9 . 1 1 20 20 LEU H H 20 7.980 7.980 8.594 -0.614 18222 3667 1 9 . 1 1 21 21 GLY N N 21 107.000 107.000 107.614 -0.614 18222 3668 1 9 . 1 1 21 21 GLY CA C 21 46.710 46.710 46.975 -0.265 18222 3669 1 9 . 1 1 21 21 GLY H H 21 8.570 8.570 8.564 0.006 18222 3670 1 9 . 1 1 22 22 GLU N N 22 121.610 121.610 123.061 -1.451 18222 3671 1 9 . 1 1 22 22 GLU HA H 22 3.990 3.990 4.122 -0.132 18222 3672 1 9 . 1 1 22 22 GLU CA C 22 58.280 58.280 59.159 -0.879 18222 3673 1 9 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.717 -1.707 18222 3674 1 9 . 1 1 22 22 GLU H H 22 8.100 8.100 7.866 0.234 18222 3675 1 9 . 1 1 23 23 TYR N N 23 120.870 120.870 120.887 -0.017 18222 3676 1 9 . 1 1 23 23 TYR CA C 23 60.380 60.380 59.975 0.405 18222 3677 1 9 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.095 -0.345 18222 3678 1 9 . 1 1 23 23 TYR H H 23 7.910 7.910 8.046 -0.136 18222 3679 1 9 . 1 1 24 24 ALA N N 24 121.420 121.420 122.223 -0.803 18222 3680 1 9 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.317 0.823 18222 3681 1 9 . 1 1 24 24 ALA CA C 24 54.260 54.260 54.746 -0.486 18222 3682 1 9 . 1 1 24 24 ALA H H 24 8.410 8.410 8.532 -0.122 18222 3683 1 9 . 1 1 25 25 ALA N N 25 120.220 120.220 121.112 -0.892 18222 3684 1 9 . 1 1 25 25 ALA CA C 25 54.370 54.370 55.144 -0.774 18222 3685 1 9 . 1 1 25 25 ALA H H 25 8.090 8.090 8.127 -0.037 18222 3686 1 9 . 1 1 26 26 CYS N N 26 116.760 116.760 117.290 -0.530 18222 3687 1 9 . 1 1 26 26 CYS CA C 26 61.180 61.180 64.064 -2.884 18222 3688 1 9 . 1 1 26 26 CYS CB C 26 26.390 26.390 27.812 -1.422 18222 3689 1 9 . 1 1 26 26 CYS H H 26 7.950 7.950 8.287 -0.337 18222 3690 1 9 . 1 1 27 27 GLN N N 27 118.690 118.690 120.353 -1.663 18222 3691 1 9 . 1 1 27 27 GLN CA C 27 55.970 55.970 59.257 -3.287 18222 3692 1 9 . 1 1 27 27 GLN H H 27 8.060 8.060 8.203 -0.143 18222 3693 1 9 . 1 1 28 28 SER N N 28 115.490 115.490 115.742 -0.252 18222 3694 1 9 . 1 1 28 28 SER HA H 28 3.990 3.990 4.049 -0.059 18222 3695 1 9 . 1 1 28 28 SER CA C 28 61.110 61.110 61.379 -0.269 18222 3696 1 9 . 1 1 28 28 SER H H 28 7.980 7.980 8.148 -0.168 18222 3697 1 9 . 1 1 29 29 HIS N N 29 120.880 120.880 121.177 -0.297 18222 3698 1 9 . 1 1 29 29 HIS CA C 29 58.190 58.190 59.787 -1.597 18222 3699 1 9 . 1 1 29 29 HIS CB C 29 27.460 27.460 29.902 -2.442 18222 3700 1 9 . 1 1 29 29 HIS H H 29 8.180 8.180 8.234 -0.054 18222 3701 1 9 . 1 1 30 30 ALA N N 30 122.920 122.920 122.764 0.156 18222 3702 1 9 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.437 -0.876 18222 3703 1 9 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.544 -1.054 18222 3704 1 9 . 1 1 30 30 ALA H H 30 8.040 8.040 8.386 -0.346 18222 3705 1 9 . 1 1 31 31 PHE N N 31 119.340 119.340 118.195 1.145 18222 3706 1 9 . 1 1 31 31 PHE CA C 31 60.370 60.370 61.931 -1.561 18222 3707 1 9 . 1 1 31 31 PHE CB C 31 38.520 38.520 38.713 -0.193 18222 3708 1 9 . 1 1 31 31 PHE H H 31 8.230 8.230 8.629 -0.399 18222 3709 1 9 . 1 1 32 32 MET N N 32 118.110 118.110 119.333 -1.223 18222 3710 1 9 . 1 1 32 32 MET HA H 32 4.050 4.050 3.952 0.098 18222 3711 1 9 . 1 1 32 32 MET CA C 32 58.280 58.280 59.751 -1.471 18222 3712 1 9 . 1 1 32 32 MET CB C 32 31.090 31.090 32.519 -1.429 18222 3713 1 9 . 1 1 32 32 MET H H 32 8.120 8.120 8.585 -0.465 18222 3714 1 9 . 1 1 33 33 LYS N N 33 119.040 119.040 119.330 -0.290 18222 3715 1 9 . 1 1 33 33 LYS HA H 33 3.930 3.930 3.970 -0.040 18222 3716 1 9 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.895 -0.855 18222 3717 1 9 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.447 -1.457 18222 3718 1 9 . 1 1 33 33 LYS H H 33 7.970 7.970 8.489 -0.519 18222 3719 1 9 . 1 1 34 34 GLY N N 34 108.840 108.840 106.758 2.082 18222 3720 1 9 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.261 -0.651 18222 3721 1 9 . 1 1 34 34 GLY H H 34 8.030 8.030 8.340 -0.310 18222 3722 1 9 . 1 1 35 35 VAL N N 35 122.910 122.910 122.020 0.890 18222 3723 1 9 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.729 0.490 18222 3724 1 9 . 1 1 35 35 VAL CA C 35 66.310 66.310 65.389 0.921 18222 3725 1 9 . 1 1 35 35 VAL CB C 35 30.560 30.560 30.945 -0.385 18222 3726 1 9 . 1 1 35 35 VAL H H 35 8.090 8.090 8.359 -0.269 18222 3727 1 9 . 1 1 36 36 PHE N N 36 120.020 120.020 121.611 -1.591 18222 3728 1 9 . 1 1 36 36 PHE CA C 36 61.350 61.350 62.333 -0.983 18222 3729 1 9 . 1 1 36 36 PHE CB C 36 38.090 38.090 38.777 -0.687 18222 3730 1 9 . 1 1 36 36 PHE H H 36 8.350 8.350 8.861 -0.511 18222 3731 1 9 . 1 1 37 37 THR N N 37 116.980 116.980 116.966 0.014 18222 3732 1 9 . 1 1 37 37 THR HA H 37 4.050 4.050 3.968 0.082 18222 3733 1 9 . 1 1 37 37 THR CA C 37 66.000 66.000 67.088 -1.088 18222 3734 1 9 . 1 1 37 37 THR CB C 37 68.270 68.270 68.910 -0.640 18222 3735 1 9 . 1 1 37 37 THR H H 37 8.520 8.520 8.425 0.095 18222 3736 1 9 . 1 1 38 38 PHE N N 38 123.090 123.090 120.158 2.932 18222 3737 1 9 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.266 0.094 18222 3738 1 9 . 1 1 38 38 PHE CA C 38 61.140 61.140 61.182 -0.042 18222 3739 1 9 . 1 1 38 38 PHE CB C 38 41.200 41.200 38.837 2.363 18222 3740 1 9 . 1 1 38 38 PHE H H 38 8.010 8.010 8.222 -0.212 18222 3741 1 9 . 1 1 39 39 VAL N N 39 117.280 117.280 118.808 -1.528 18222 3742 1 9 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.678 0.532 18222 3743 1 9 . 1 1 39 39 VAL CA C 39 66.000 66.000 65.683 0.317 18222 3744 1 9 . 1 1 39 39 VAL CB C 39 30.860 30.860 31.217 -0.357 18222 3745 1 9 . 1 1 39 39 VAL H H 39 8.530 8.530 8.371 0.159 18222 3746 1 9 . 1 1 40 40 THR N N 40 109.470 109.470 110.950 -1.480 18222 3747 1 9 . 1 1 40 40 THR HA H 40 4.060 4.060 4.014 0.046 18222 3748 1 9 . 1 1 40 40 THR CA C 40 63.390 63.390 64.113 -0.723 18222 3749 1 9 . 1 1 40 40 THR CB C 40 68.650 68.650 69.168 -0.519 18222 3750 1 9 . 1 1 40 40 THR H H 40 7.700 7.700 7.931 -0.231 18222 3751 1 9 . 1 1 41 41 GLY N N 41 110.770 110.770 111.168 -0.398 18222 3752 1 9 . 1 1 41 41 GLY CA C 41 45.580 45.580 45.947 -0.367 18222 3753 1 9 . 1 1 41 41 GLY H H 41 7.700 7.700 8.371 -0.671 18222 3754 1 9 . 1 1 42 42 THR N N 42 114.520 114.520 112.542 1.978 18222 3755 1 9 . 1 1 42 42 THR CA C 42 63.300 63.300 62.528 0.772 18222 3756 1 9 . 1 1 42 42 THR CB C 42 69.490 69.490 67.199 2.291 18222 3757 1 9 . 1 1 42 42 THR H H 42 7.720 7.720 7.819 -0.099 18222 3758 1 9 . 1 1 43 43 GLY N N 43 109.540 109.540 109.507 0.033 18222 3759 1 9 . 1 1 43 43 GLY CA C 43 46.250 46.250 46.702 -0.452 18222 3760 1 9 . 1 1 43 43 GLY H H 43 8.110 8.110 8.603 -0.493 18222 3761 1 9 . 1 1 44 44 MET N N 44 120.240 120.240 121.284 -1.044 18222 3762 1 9 . 1 1 44 44 MET HA H 44 4.100 4.100 3.993 0.107 18222 3763 1 9 . 1 1 44 44 MET CA C 44 57.700 57.700 58.636 -0.936 18222 3764 1 9 . 1 1 44 44 MET CB C 44 32.030 32.030 32.369 -0.339 18222 3765 1 9 . 1 1 44 44 MET H H 44 7.730 7.730 8.096 -0.366 18222 3766 1 9 . 1 1 45 45 ALA N N 45 121.560 121.560 121.535 0.025 18222 3767 1 9 . 1 1 45 45 ALA CA C 45 54.440 54.440 55.346 -0.907 18222 3768 1 9 . 1 1 45 45 ALA CB C 45 17.400 17.400 18.041 -0.641 18222 3769 1 9 . 1 1 45 45 ALA H H 45 7.950 7.950 7.856 0.094 18222 3770 1 9 . 1 1 46 46 PHE N N 46 118.260 118.260 119.052 -0.792 18222 3771 1 9 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.293 -0.363 18222 3772 1 9 . 1 1 46 46 PHE CA C 46 59.820 59.820 60.406 -0.586 18222 3773 1 9 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.479 -0.219 18222 3774 1 9 . 1 1 46 46 PHE H H 46 7.860 7.860 8.090 -0.230 18222 3775 1 9 . 1 1 47 47 GLY N N 47 107.300 107.300 108.710 -1.410 18222 3776 1 9 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.340 -0.780 18222 3777 1 9 . 1 1 47 47 GLY H H 47 8.200 8.200 8.704 -0.504 18222 3778 1 9 . 1 1 48 48 LEU N N 48 121.920 121.920 123.035 -1.115 18222 3779 1 9 . 1 1 48 48 LEU HA H 48 4.040 4.040 3.932 0.108 18222 3780 1 9 . 1 1 48 48 LEU CA C 48 57.580 57.580 58.619 -1.039 18222 3781 1 9 . 1 1 48 48 LEU CB C 48 40.790 40.790 41.998 -1.208 18222 3782 1 9 . 1 1 48 48 LEU H H 48 8.180 8.180 8.263 -0.083 18222 3783 1 9 . 1 1 49 49 GLN N N 49 118.270 118.270 118.372 -0.102 18222 3784 1 9 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.953 -0.123 18222 3785 1 9 . 1 1 49 49 GLN CA C 49 58.880 58.880 59.263 -0.383 18222 3786 1 9 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.599 -1.359 18222 3787 1 9 . 1 1 49 49 GLN H H 49 8.080 8.080 8.215 -0.135 18222 3788 1 9 . 1 1 50 50 MET N N 50 117.630 117.630 119.561 -1.931 18222 3789 1 9 . 1 1 50 50 MET HA H 50 4.010 4.010 4.157 -0.147 18222 3790 1 9 . 1 1 50 50 MET CA C 50 57.730 57.730 59.319 -1.589 18222 3791 1 9 . 1 1 50 50 MET CB C 50 27.160 27.160 32.871 -5.711 18222 3792 1 9 . 1 1 50 50 MET H H 50 7.880 7.880 8.332 -0.452 18222 3793 1 9 . 1 1 51 51 PHE N N 51 119.550 119.550 120.292 -0.742 18222 3794 1 9 . 1 1 51 51 PHE CA C 51 60.850 60.850 61.530 -0.680 18222 3795 1 9 . 1 1 51 51 PHE CB C 51 38.720 38.720 39.160 -0.440 18222 3796 1 9 . 1 1 51 51 PHE H H 51 7.890 7.890 8.369 -0.479 18222 3797 1 9 . 1 1 52 52 ILE N N 52 117.950 117.950 118.605 -0.655 18222 3798 1 9 . 1 1 52 52 ILE HA H 52 4.050 4.050 4.017 0.033 18222 3799 1 9 . 1 1 52 52 ILE CA C 52 63.560 63.560 63.833 -0.273 18222 3800 1 9 . 1 1 52 52 ILE CB C 52 36.810 36.810 38.554 -1.744 18222 3801 1 9 . 1 1 52 52 ILE H H 52 8.110 8.110 8.407 -0.297 18222 3802 1 9 . 1 1 53 53 GLN N N 53 117.360 117.360 119.185 -1.825 18222 3803 1 9 . 1 1 53 53 GLN CA C 53 57.200 57.200 57.961 -0.761 18222 3804 1 9 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.242 -0.372 18222 3805 1 9 . 1 1 53 53 GLN H H 53 7.930 7.930 8.248 -0.318 18222 3806 1 9 . 1 1 54 54 ARG N N 54 116.840 116.840 118.797 -1.957 18222 3807 1 9 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.218 -0.268 18222 3808 1 9 . 1 1 54 54 ARG CA C 54 56.480 56.480 57.629 -1.149 18222 3809 1 9 . 1 1 54 54 ARG CB C 54 28.970 28.970 30.009 -1.040 18222 3810 1 9 . 1 1 54 54 ARG H H 54 7.540 7.540 7.870 -0.330 18222 3811 1 9 . 1 1 55 55 LYS N N 55 117.900 117.900 117.948 -0.048 18222 3812 1 9 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.192 -0.112 18222 3813 1 9 . 1 1 55 55 LYS CA C 55 55.030 55.030 56.930 -1.900 18222 3814 1 9 . 1 1 55 55 LYS CB C 55 32.010 32.010 32.801 -0.791 18222 3815 1 9 . 1 1 55 55 LYS H H 55 7.660 7.660 7.305 0.355 18222 3816 1 9 . 1 1 56 56 PHE N N 56 121.060 121.060 120.940 0.120 18222 3817 1 9 . 1 1 56 56 PHE CA C 56 55.190 55.190 55.714 -0.524 18222 3818 1 9 . 1 1 56 56 PHE CB C 56 38.970 38.970 39.840 -0.870 18222 3819 1 9 . 1 1 56 56 PHE H H 56 8.080 8.080 7.769 0.311 18222 3820 1 9 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.631 -1.241 18222 3821 1 9 . 1 1 57 57 PRO CB C 57 30.580 30.580 31.822 -1.242 18222 3822 1 9 . 1 1 58 58 TYR N N 58 120.240 120.240 120.690 -0.450 18222 3823 1 9 . 1 1 58 58 TYR CA C 58 55.770 55.770 55.167 0.603 18222 3824 1 9 . 1 1 58 58 TYR CB C 58 40.220 40.220 39.159 1.061 18222 3825 1 9 . 1 1 58 58 TYR H H 58 7.700 7.700 8.083 -0.383 18222 3826 1 9 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.789 -1.659 18222 3827 1 9 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.097 1.243 18222 3828 1 9 . 1 1 60 60 LEU N N 60 122.210 122.210 116.985 5.225 18222 3829 1 9 . 1 1 60 60 LEU CA C 60 54.250 54.250 54.712 -0.462 18222 3830 1 9 . 1 1 60 60 LEU CB C 60 41.470 41.470 42.161 -0.691 18222 3831 1 9 . 1 1 60 60 LEU H H 60 7.880 7.880 7.655 0.225 18222 3832 1 9 . 1 1 61 61 GLN N N 61 122.470 122.470 120.260 2.210 18222 3833 1 9 . 1 1 61 61 GLN CA C 61 54.170 54.170 55.721 -1.551 18222 3834 1 9 . 1 1 61 61 GLN H H 61 7.970 7.970 8.171 -0.201 18222 3835 1 9 . 1 1 62 62 TRP N N 62 124.590 124.590 124.437 0.153 18222 3836 1 9 . 1 1 62 62 TRP CA C 62 59.830 59.830 61.505 -1.675 18222 3837 1 9 . 1 1 62 62 TRP CB C 62 28.800 28.800 29.620 -0.820 18222 3838 1 9 . 1 1 62 62 TRP H H 62 8.240 8.240 8.608 -0.368 18222 3839 1 9 . 1 1 63 63 SER N N 63 113.320 113.320 114.924 -1.604 18222 3840 1 9 . 1 1 63 63 SER CA C 63 61.100 61.100 62.763 -1.663 18222 3841 1 9 . 1 1 63 63 SER H H 63 8.410 8.410 8.460 -0.050 18222 3842 1 9 . 1 1 64 64 LEU N N 64 123.230 123.230 121.646 1.584 18222 3843 1 9 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.392 -0.512 18222 3844 1 9 . 1 1 64 64 LEU CB C 64 40.830 40.830 41.267 -0.437 18222 3845 1 9 . 1 1 64 64 LEU H H 64 7.230 7.230 8.206 -0.976 18222 3846 1 9 . 1 1 65 65 LEU N N 65 119.400 119.400 121.389 -1.989 18222 3847 1 9 . 1 1 65 65 LEU HA H 65 3.890 3.890 4.145 -0.255 18222 3848 1 9 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.236 -0.656 18222 3849 1 9 . 1 1 65 65 LEU CB C 65 40.710 40.710 41.516 -0.806 18222 3850 1 9 . 1 1 65 65 LEU H H 65 7.510 7.510 8.341 -0.831 18222 3851 1 9 . 1 1 66 66 VAL N N 66 116.950 116.950 119.629 -2.679 18222 3852 1 9 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.839 0.121 18222 3853 1 9 . 1 1 66 66 VAL CA C 66 66.260 66.260 65.236 1.024 18222 3854 1 9 . 1 1 66 66 VAL CB C 66 30.570 30.570 31.123 -0.553 18222 3855 1 9 . 1 1 66 66 VAL H H 66 7.950 7.950 8.603 -0.653 18222 3856 1 9 . 1 1 67 67 ALA N N 67 120.650 120.650 122.807 -2.157 18222 3857 1 9 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.223 -0.223 18222 3858 1 9 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.362 -0.582 18222 3859 1 9 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.403 -0.963 18222 3860 1 9 . 1 1 67 67 ALA H H 67 7.450 7.450 8.119 -0.669 18222 3861 1 9 . 1 1 68 68 VAL N N 68 118.440 118.440 118.612 -0.172 18222 3862 1 9 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.740 0.010 18222 3863 1 9 . 1 1 68 68 VAL CA C 68 65.250 65.250 66.031 -0.781 18222 3864 1 9 . 1 1 68 68 VAL CB C 68 30.850 30.850 31.503 -0.653 18222 3865 1 9 . 1 1 68 68 VAL H H 68 7.960 7.960 7.791 0.169 18222 3866 1 9 . 1 1 69 69 VAL N N 69 120.800 120.800 120.746 0.054 18222 3867 1 9 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.717 0.503 18222 3868 1 9 . 1 1 69 69 VAL CA C 69 66.020 66.020 66.290 -0.270 18222 3869 1 9 . 1 1 69 69 VAL CB C 69 30.850 30.850 30.290 0.560 18222 3870 1 9 . 1 1 69 69 VAL H H 69 8.080 8.080 8.614 -0.534 18222 3871 1 9 . 1 1 70 70 ALA N N 70 121.740 121.740 120.940 0.800 18222 3872 1 9 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.264 -0.344 18222 3873 1 9 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.400 -0.480 18222 3874 1 9 . 1 1 70 70 ALA CB C 70 17.620 17.620 18.272 -0.652 18222 3875 1 9 . 1 1 70 70 ALA H H 70 8.660 8.660 8.611 0.049 18222 3876 1 9 . 1 1 71 71 GLY N N 71 103.450 103.450 107.149 -3.699 18222 3877 1 9 . 1 1 71 71 GLY CA C 71 46.300 46.300 46.987 -0.687 18222 3878 1 9 . 1 1 71 71 GLY H H 71 8.010 8.010 8.085 -0.075 18222 3879 1 9 . 1 1 72 72 SER N N 72 118.160 118.160 118.271 -0.111 18222 3880 1 9 . 1 1 72 72 SER CA C 72 61.260 61.260 61.707 -0.447 18222 3881 1 9 . 1 1 72 72 SER CB C 72 62.870 62.870 63.348 -0.478 18222 3882 1 9 . 1 1 72 72 SER H H 72 7.870 7.870 8.108 -0.238 18222 3883 1 9 . 1 1 73 73 VAL N N 73 121.340 121.340 122.448 -1.108 18222 3884 1 9 . 1 1 73 73 VAL CA C 73 65.750 65.750 66.674 -0.924 18222 3885 1 9 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.272 -0.532 18222 3886 1 9 . 1 1 73 73 VAL H H 73 8.050 8.050 8.250 -0.200 18222 3887 1 9 . 1 1 74 74 VAL N N 74 118.680 118.680 118.678 0.002 18222 3888 1 9 . 1 1 74 74 VAL CA C 74 65.770 65.770 66.938 -1.168 18222 3889 1 9 . 1 1 74 74 VAL CB C 74 30.740 30.740 31.322 -0.582 18222 3890 1 9 . 1 1 74 74 VAL H H 74 7.880 7.880 8.541 -0.661 18222 3891 1 9 . 1 1 75 75 SER N N 75 114.750 114.750 116.143 -1.393 18222 3892 1 9 . 1 1 75 75 SER HA H 75 4.100 4.100 4.154 -0.054 18222 3893 1 9 . 1 1 75 75 SER CA C 75 60.870 60.870 61.584 -0.714 18222 3894 1 9 . 1 1 75 75 SER CB C 75 62.340 62.340 63.004 -0.664 18222 3895 1 9 . 1 1 75 75 SER H H 75 7.870 7.870 7.966 -0.096 18222 3896 1 9 . 1 1 76 76 TYR N N 76 121.110 121.110 122.002 -0.892 18222 3897 1 9 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.789 -1.739 18222 3898 1 9 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.563 -0.583 18222 3899 1 9 . 1 1 76 76 TYR H H 76 7.860 7.860 8.702 -0.842 18222 3900 1 9 . 1 1 77 77 GLY N N 77 107.300 107.300 107.069 0.231 18222 3901 1 9 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.348 -0.788 18222 3902 1 9 . 1 1 77 77 GLY H H 77 8.200 8.200 8.579 -0.379 18222 3903 1 9 . 1 1 78 78 VAL N N 78 119.470 119.470 121.888 -2.418 18222 3904 1 9 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.761 0.409 18222 3905 1 9 . 1 1 78 78 VAL CA C 78 64.650 64.650 66.246 -1.596 18222 3906 1 9 . 1 1 78 78 VAL H H 78 8.140 8.140 8.681 -0.541 18222 3907 1 9 . 1 1 79 79 THR N N 79 112.100 112.100 116.822 -4.722 18222 3908 1 9 . 1 1 79 79 THR CA C 79 63.460 63.460 67.411 -3.951 18222 3909 1 9 . 1 1 79 79 THR CB C 79 68.650 68.650 68.606 0.045 18222 3910 1 9 . 1 1 79 79 THR H H 79 7.640 7.640 8.213 -0.573 18222 3911 1 9 . 1 1 80 80 ARG N N 80 120.770 120.770 121.949 -1.179 18222 3912 1 9 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.073 0.087 18222 3913 1 9 . 1 1 80 80 ARG CA C 80 56.790 56.790 59.999 -3.209 18222 3914 1 9 . 1 1 80 80 ARG CB C 80 29.430 29.430 30.215 -0.785 18222 3915 1 9 . 1 1 80 80 ARG H H 80 7.680 7.680 8.087 -0.407 18222 3916 1 9 . 1 1 81 81 VAL N N 81 118.370 118.370 120.572 -2.202 18222 3917 1 9 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.644 0.276 18222 3918 1 9 . 1 1 81 81 VAL CA C 81 63.340 63.340 66.799 -3.459 18222 3919 1 9 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.654 -0.394 18222 3920 1 9 . 1 1 81 81 VAL H H 81 7.730 7.730 8.329 -0.599 18222 3921 1 9 . 1 1 82 82 GLU N N 82 120.620 120.620 119.348 1.272 18222 3922 1 9 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.712 -3.392 18222 3923 1 9 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.328 -1.399 18222 3924 1 9 . 1 1 82 82 GLU H H 82 7.920 7.920 8.648 -0.728 18222 3925 1 9 . 1 1 83 83 SER N N 83 116.240 116.240 116.335 -0.095 18222 3926 1 9 . 1 1 83 83 SER CA C 83 59.250 59.250 62.108 -2.858 18222 3927 1 9 . 1 1 83 83 SER CB C 83 63.160 63.160 62.868 0.292 18222 3928 1 9 . 1 1 83 83 SER H H 83 7.960 7.960 8.312 -0.352 18222 3929 1 9 . 1 1 84 84 GLU N N 84 123.280 123.280 122.160 1.120 18222 3930 1 9 . 1 1 84 84 GLU HA H 84 4.080 4.080 3.991 0.089 18222 3931 1 9 . 1 1 84 84 GLU CA C 84 57.860 57.860 60.054 -2.194 18222 3932 1 9 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.563 -1.373 18222 3933 1 9 . 1 1 84 84 GLU H H 84 8.470 8.470 8.278 0.192 18222 3934 1 9 . 1 1 85 85 LYS N N 85 118.650 118.650 119.684 -1.034 18222 3935 1 9 . 1 1 85 85 LYS HA H 85 4.100 4.100 4.151 -0.051 18222 3936 1 9 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.393 -1.613 18222 3937 1 9 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.533 -1.153 18222 3938 1 9 . 1 1 85 85 LYS H H 85 7.940 7.940 8.011 -0.071 18222 3939 1 9 . 1 1 86 86 CYS N N 86 117.070 117.070 118.681 -1.611 18222 3940 1 9 . 1 1 86 86 CYS CA C 86 60.910 60.910 62.469 -1.559 18222 3941 1 9 . 1 1 86 86 CYS CB C 86 26.740 26.740 26.422 0.318 18222 3942 1 9 . 1 1 86 86 CYS H H 86 7.840 7.840 8.474 -0.634 18222 3943 1 9 . 1 1 87 87 ASN N N 87 119.370 119.370 119.407 -0.037 18222 3944 1 9 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.766 -0.636 18222 3945 1 9 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.743 -0.993 18222 3946 1 9 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.356 -0.306 18222 3947 1 9 . 1 1 87 87 ASN H H 87 8.110 8.110 8.706 -0.596 18222 3948 1 9 . 1 1 88 88 ASN N N 88 117.570 117.570 119.262 -1.692 18222 3949 1 9 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.547 -0.267 18222 3950 1 9 . 1 1 88 88 ASN CA C 88 55.190 55.190 56.458 -1.268 18222 3951 1 9 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.650 -1.250 18222 3952 1 9 . 1 1 88 88 ASN H H 88 8.280 8.280 8.419 -0.139 18222 3953 1 9 . 1 1 89 89 LEU N N 89 121.940 121.940 122.349 -0.409 18222 3954 1 9 . 1 1 89 89 LEU HA H 89 4.070 4.070 4.231 -0.161 18222 3955 1 9 . 1 1 89 89 LEU CA C 89 57.580 57.580 59.016 -1.436 18222 3956 1 9 . 1 1 89 89 LEU CB C 89 40.490 40.490 42.103 -1.613 18222 3957 1 9 . 1 1 89 89 LEU H H 89 7.790 7.790 8.394 -0.604 18222 3958 1 9 . 1 1 90 90 TRP N N 90 119.220 119.220 121.385 -2.165 18222 3959 1 9 . 1 1 90 90 TRP CA C 90 59.120 59.120 61.187 -2.067 18222 3960 1 9 . 1 1 90 90 TRP CB C 90 28.800 28.800 29.013 -0.213 18222 3961 1 9 . 1 1 90 90 TRP H H 90 7.850 7.850 8.577 -0.727 18222 3962 1 9 . 1 1 91 91 LEU N N 91 117.870 117.870 119.337 -1.467 18222 3963 1 9 . 1 1 91 91 LEU CA C 91 57.300 57.300 57.645 -0.345 18222 3964 1 9 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.321 -0.711 18222 3965 1 9 . 1 1 91 91 LEU H H 91 7.920 7.920 8.033 -0.113 18222 3966 1 9 . 1 1 92 92 PHE N N 92 121.280 121.280 118.261 3.019 18222 3967 1 9 . 1 1 92 92 PHE CA C 92 60.390 60.390 61.826 -1.436 18222 3968 1 9 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.838 -0.858 18222 3969 1 9 . 1 1 92 92 PHE H H 92 7.860 7.860 8.179 -0.319 18222 3970 1 9 . 1 1 93 93 LEU N N 93 119.860 119.860 121.022 -1.162 18222 3971 1 9 . 1 1 93 93 LEU CA C 93 56.860 56.860 57.962 -1.103 18222 3972 1 9 . 1 1 93 93 LEU CB C 93 40.550 40.550 40.521 0.029 18222 3973 1 9 . 1 1 93 93 LEU H H 93 7.980 7.980 8.367 -0.387 18222 3974 1 9 . 1 1 94 94 GLU N N 94 114.660 114.660 119.157 -4.497 18222 3975 1 9 . 1 1 94 94 GLU HA H 94 3.810 3.810 4.105 -0.295 18222 3976 1 9 . 1 1 94 94 GLU CA C 94 57.210 57.210 58.830 -1.620 18222 3977 1 9 . 1 1 94 94 GLU CB C 94 28.470 28.470 28.845 -0.375 18222 3978 1 9 . 1 1 94 94 GLU H H 94 7.890 7.890 8.267 -0.377 18222 3979 1 9 . 1 1 95 95 THR N N 95 108.260 108.260 112.450 -4.190 18222 3980 1 9 . 1 1 95 95 THR CA C 95 62.150 62.150 62.424 -0.274 18222 3981 1 9 . 1 1 95 95 THR CB C 95 70.810 70.810 69.148 1.662 18222 3982 1 9 . 1 1 95 95 THR H H 95 7.690 7.690 7.154 0.536 18222 3983 1 9 . 1 1 96 96 GLY N N 96 112.220 112.220 109.717 2.503 18222 3984 1 9 . 1 1 96 96 GLY CA C 96 45.410 45.410 45.279 0.132 18222 3985 1 9 . 1 1 96 96 GLY H H 96 8.240 8.240 8.081 0.159 18222 3986 1 9 . 1 1 97 97 GLN N N 97 117.950 117.950 121.091 -3.141 18222 3987 1 9 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.489 -0.289 18222 3988 1 9 . 1 1 97 97 GLN CA C 97 54.430 54.430 54.915 -0.485 18222 3989 1 9 . 1 1 97 97 GLN CB C 97 29.910 29.910 28.972 0.938 18222 3990 1 9 . 1 1 97 97 GLN H H 97 7.640 7.640 8.332 -0.692 18222 3991 1 9 . 1 1 98 98 LEU N N 98 123.810 123.810 125.414 -1.604 18222 3992 1 9 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.645 -0.285 18222 3993 1 9 . 1 1 98 98 LEU CA C 98 52.650 52.650 53.105 -0.455 18222 3994 1 9 . 1 1 98 98 LEU CB C 98 40.460 40.460 41.127 -0.667 18222 3995 1 9 . 1 1 98 98 LEU H H 98 8.270 8.270 7.845 0.425 18222 3996 1 9 . 1 1 99 99 PRO CA C 99 63.180 63.180 63.633 -0.453 18222 3997 1 9 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.397 -1.557 18222 3998 1 9 . 1 1 100 100 LYS N N 100 120.630 120.630 118.470 2.160 18222 3999 1 9 . 1 1 100 100 LYS CA C 100 55.730 55.730 55.880 -0.151 18222 4000 1 9 . 1 1 100 100 LYS CB C 100 32.280 32.280 34.322 -2.042 18222 4001 1 9 . 1 1 100 100 LYS H H 100 8.090 8.090 7.751 0.339 18222 4002 1 9 . 1 1 101 101 ASP N N 101 120.920 120.920 122.695 -1.775 18222 4003 1 9 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.901 -0.711 18222 4004 1 9 . 1 1 101 101 ASP CA C 101 54.000 54.000 53.964 0.036 18222 4005 1 9 . 1 1 101 101 ASP CB C 101 40.330 40.330 40.808 -0.478 18222 4006 1 9 . 1 1 101 101 ASP H H 101 8.190 8.190 8.710 -0.520 18222 4007 1 9 . 1 1 102 102 ARG N N 102 122.210 122.210 122.948 -0.738 18222 4008 1 9 . 1 1 102 102 ARG CA C 102 55.590 55.590 56.121 -0.531 18222 4009 1 9 . 1 1 102 102 ARG CB C 102 29.630 29.630 31.450 -1.820 18222 4010 1 9 . 1 1 102 102 ARG H H 102 8.130 8.130 8.211 -0.081 18222 4011 1 9 . 1 1 103 103 SER N N 103 117.230 117.230 115.545 1.685 18222 4012 1 9 . 1 1 103 103 SER HA H 103 4.280 4.280 4.240 0.040 18222 4013 1 9 . 1 1 103 103 SER CA C 103 58.470 58.470 59.155 -0.685 18222 4014 1 9 . 1 1 103 103 SER CB C 103 63.080 63.080 63.492 -0.412 18222 4015 1 9 . 1 1 103 103 SER H H 103 8.290 8.290 8.528 -0.238 18222 4016 1 9 . 1 1 104 104 THR N N 104 115.430 115.430 117.105 -1.675 18222 4017 1 9 . 1 1 104 104 THR CA C 104 61.570 61.570 62.166 -0.597 18222 4018 1 9 . 1 1 104 104 THR CB C 104 69.030 69.030 69.608 -0.578 18222 4019 1 9 . 1 1 104 104 THR H H 104 8.020 8.020 8.182 -0.162 18222 4020 1 9 . 1 1 105 105 ASP N N 105 122.780 122.780 123.681 -0.901 18222 4021 1 9 . 1 1 105 105 ASP CA C 105 54.210 54.210 53.899 0.311 18222 4022 1 9 . 1 1 105 105 ASP CB C 105 40.380 40.380 43.336 -2.956 18222 4023 1 9 . 1 1 105 105 ASP H H 105 8.120 8.120 8.417 -0.297 18222 4024 1 9 . 1 1 106 106 GLN N N 106 120.960 120.960 120.207 0.753 18222 4025 1 9 . 1 1 106 106 GLN CA C 106 55.420 55.420 55.280 0.140 18222 4026 1 9 . 1 1 106 106 GLN CB C 106 28.310 28.310 30.086 -1.776 18222 4027 1 9 . 1 1 106 106 GLN H H 106 8.140 8.140 8.174 -0.034 18222 4028 1 9 . 1 1 107 107 ARG N N 107 123.010 123.010 121.226 1.784 18222 4029 1 9 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.388 -0.178 18222 4030 1 9 . 1 1 107 107 ARG CA C 107 55.560 55.560 56.913 -1.353 18222 4031 1 9 . 1 1 107 107 ARG CB C 107 29.920 29.920 30.446 -0.526 18222 4032 1 9 . 1 1 107 107 ARG H H 107 8.180 8.180 8.607 -0.427 18222 4033 1 10 . 1 1 2 2 VAL N N 2 121.590 121.590 122.189 -0.599 18222 4034 1 10 . 1 1 2 2 VAL CA C 2 61.600 61.600 62.313 -0.714 18222 4035 1 10 . 1 1 2 2 VAL CB C 2 31.900 31.900 33.547 -1.647 18222 4036 1 10 . 1 1 2 2 VAL H H 2 8.010 8.010 8.375 -0.365 18222 4037 1 10 . 1 1 3 3 ASN N N 3 122.520 122.520 123.773 -1.253 18222 4038 1 10 . 1 1 3 3 ASN HA H 3 4.020 4.020 5.119 -1.099 18222 4039 1 10 . 1 1 3 3 ASN CA C 3 52.640 52.640 52.570 0.070 18222 4040 1 10 . 1 1 3 3 ASN CB C 3 38.330 38.330 39.659 -1.329 18222 4041 1 10 . 1 1 3 3 ASN H H 3 8.360 8.360 8.533 -0.173 18222 4042 1 10 . 1 1 4 4 LEU N N 4 123.830 123.830 117.845 5.985 18222 4043 1 10 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.563 -0.343 18222 4044 1 10 . 1 1 4 4 LEU CA C 4 54.620 54.620 54.438 0.182 18222 4045 1 10 . 1 1 4 4 LEU CB C 4 41.680 41.680 43.589 -1.909 18222 4046 1 10 . 1 1 4 4 LEU H H 4 8.220 8.220 8.365 -0.145 18222 4047 1 10 . 1 1 5 5 GLY N N 5 106.810 106.810 110.814 -4.004 18222 4048 1 10 . 1 1 5 5 GLY CA C 5 45.800 45.800 45.015 0.785 18222 4049 1 10 . 1 1 5 5 GLY H H 5 8.030 8.030 8.741 -0.711 18222 4050 1 10 . 1 1 6 6 LEU N N 6 120.820 120.820 123.641 -2.821 18222 4051 1 10 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.404 -0.354 18222 4052 1 10 . 1 1 6 6 LEU CA C 6 55.990 55.990 54.979 1.011 18222 4053 1 10 . 1 1 6 6 LEU CB C 6 40.800 40.800 42.317 -1.517 18222 4054 1 10 . 1 1 6 6 LEU H H 6 8.030 8.030 7.885 0.145 18222 4055 1 10 . 1 1 7 7 SER N N 7 115.540 115.540 116.618 -1.078 18222 4056 1 10 . 1 1 7 7 SER HA H 7 4.100 4.100 4.170 -0.070 18222 4057 1 10 . 1 1 7 7 SER CA C 7 60.580 60.580 61.389 -0.809 18222 4058 1 10 . 1 1 7 7 SER CB C 7 62.060 62.060 63.041 -0.981 18222 4059 1 10 . 1 1 7 7 SER H H 7 8.360 8.360 8.541 -0.181 18222 4060 1 10 . 1 1 8 8 ARG N N 8 120.690 120.690 120.838 -0.148 18222 4061 1 10 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.071 0.089 18222 4062 1 10 . 1 1 8 8 ARG CA C 8 57.350 57.350 59.224 -1.874 18222 4063 1 10 . 1 1 8 8 ARG CB C 8 29.230 29.230 29.942 -0.712 18222 4064 1 10 . 1 1 8 8 ARG H H 8 7.830 7.830 8.067 -0.237 18222 4065 1 10 . 1 1 9 9 VAL N N 9 119.330 119.330 120.009 -0.679 18222 4066 1 10 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.657 0.513 18222 4067 1 10 . 1 1 9 9 VAL CA C 9 64.720 64.720 66.431 -1.711 18222 4068 1 10 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.389 -0.489 18222 4069 1 10 . 1 1 9 9 VAL H H 9 7.620 7.620 7.763 -0.143 18222 4070 1 10 . 1 1 10 10 ASP N N 10 119.520 119.520 120.589 -1.069 18222 4071 1 10 . 1 1 10 10 ASP CA C 10 54.960 54.960 58.244 -3.284 18222 4072 1 10 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.835 -3.035 18222 4073 1 10 . 1 1 10 10 ASP H H 10 8.180 8.180 8.225 -0.045 18222 4074 1 10 . 1 1 11 11 ASP N N 11 121.550 121.550 120.572 0.978 18222 4075 1 10 . 1 1 11 11 ASP CA C 11 54.440 54.440 57.286 -2.846 18222 4076 1 10 . 1 1 11 11 ASP CB C 11 37.840 37.840 40.804 -2.964 18222 4077 1 10 . 1 1 11 11 ASP H H 11 7.950 7.950 8.301 -0.351 18222 4078 1 10 . 1 1 12 12 ALA N N 12 120.220 120.220 122.156 -1.936 18222 4079 1 10 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.155 -0.785 18222 4080 1 10 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.463 6.267 18222 4081 1 10 . 1 1 12 12 ALA H H 12 8.090 8.090 8.032 0.058 18222 4082 1 10 . 1 1 13 13 VAL N N 13 116.910 116.910 117.717 -0.807 18222 4083 1 10 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.613 0.527 18222 4084 1 10 . 1 1 13 13 VAL CA C 13 64.900 64.900 66.275 -1.375 18222 4085 1 10 . 1 1 13 13 VAL CB C 13 31.000 31.000 31.438 -0.438 18222 4086 1 10 . 1 1 13 13 VAL H H 13 7.980 7.980 8.141 -0.161 18222 4087 1 10 . 1 1 14 14 ALA N N 14 122.200 122.200 121.828 0.372 18222 4088 1 10 . 1 1 14 14 ALA HA H 14 4.020 4.020 3.968 0.052 18222 4089 1 10 . 1 1 14 14 ALA CA C 14 53.800 53.800 54.375 -0.575 18222 4090 1 10 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.606 -0.816 18222 4091 1 10 . 1 1 14 14 ALA H H 14 8.030 8.030 7.994 0.036 18222 4092 1 10 . 1 1 15 15 ALA N N 15 118.600 118.600 118.592 0.008 18222 4093 1 10 . 1 1 15 15 ALA CA C 15 53.230 53.230 53.892 -0.662 18222 4094 1 10 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.896 -0.886 18222 4095 1 10 . 1 1 15 15 ALA H H 15 7.530 7.530 7.692 -0.162 18222 4096 1 10 . 1 1 16 16 LYS N N 16 115.820 115.820 117.408 -1.588 18222 4097 1 10 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.212 -0.132 18222 4098 1 10 . 1 1 16 16 LYS CA C 16 55.670 55.670 56.873 -1.204 18222 4099 1 10 . 1 1 16 16 LYS CB C 16 32.640 32.640 32.634 0.006 18222 4100 1 10 . 1 1 16 16 LYS H H 16 7.490 7.490 7.507 -0.017 18222 4101 1 10 . 1 1 17 17 HIS N N 17 116.790 116.790 118.016 -1.226 18222 4102 1 10 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.752 -0.652 18222 4103 1 10 . 1 1 17 17 HIS CA C 17 52.820 52.820 52.797 0.023 18222 4104 1 10 . 1 1 17 17 HIS CB C 17 28.400 28.400 30.761 -2.361 18222 4105 1 10 . 1 1 17 17 HIS H H 17 8.130 8.130 7.153 0.977 18222 4106 1 10 . 1 1 18 18 PRO CA C 18 63.800 63.800 63.224 0.576 18222 4107 1 10 . 1 1 18 18 PRO CB C 18 30.800 30.800 31.941 -1.141 18222 4108 1 10 . 1 1 19 19 GLY N N 19 110.260 110.260 112.140 -1.880 18222 4109 1 10 . 1 1 19 19 GLY CA C 19 45.490 45.490 44.841 0.649 18222 4110 1 10 . 1 1 19 19 GLY H H 19 8.730 8.730 8.460 0.270 18222 4111 1 10 . 1 1 20 20 LEU N N 20 122.650 122.650 122.241 0.409 18222 4112 1 10 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.065 0.025 18222 4113 1 10 . 1 1 20 20 LEU CA C 20 57.060 57.060 57.918 -0.858 18222 4114 1 10 . 1 1 20 20 LEU H H 20 7.980 7.980 8.072 -0.092 18222 4115 1 10 . 1 1 21 21 GLY N N 21 107.000 107.000 106.109 0.891 18222 4116 1 10 . 1 1 21 21 GLY CA C 21 46.710 46.710 47.163 -0.453 18222 4117 1 10 . 1 1 21 21 GLY H H 21 8.570 8.570 8.653 -0.083 18222 4118 1 10 . 1 1 22 22 GLU N N 22 121.610 121.610 122.811 -1.201 18222 4119 1 10 . 1 1 22 22 GLU HA H 22 3.990 3.990 4.034 -0.044 18222 4120 1 10 . 1 1 22 22 GLU CA C 22 58.280 58.280 59.620 -1.340 18222 4121 1 10 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.669 -1.659 18222 4122 1 10 . 1 1 22 22 GLU H H 22 8.100 8.100 8.278 -0.178 18222 4123 1 10 . 1 1 23 23 TYR N N 23 120.870 120.870 120.200 0.670 18222 4124 1 10 . 1 1 23 23 TYR CA C 23 60.380 60.380 61.368 -0.988 18222 4125 1 10 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.054 -0.304 18222 4126 1 10 . 1 1 23 23 TYR H H 23 7.910 7.910 8.367 -0.457 18222 4127 1 10 . 1 1 24 24 ALA N N 24 121.420 121.420 121.533 -0.113 18222 4128 1 10 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.885 0.255 18222 4129 1 10 . 1 1 24 24 ALA CA C 24 54.260 54.260 55.189 -0.929 18222 4130 1 10 . 1 1 24 24 ALA H H 24 8.410 8.410 8.891 -0.481 18222 4131 1 10 . 1 1 25 25 ALA N N 25 120.220 120.220 121.109 -0.889 18222 4132 1 10 . 1 1 25 25 ALA CA C 25 54.370 54.370 55.007 -0.637 18222 4133 1 10 . 1 1 25 25 ALA H H 25 8.090 8.090 8.339 -0.249 18222 4134 1 10 . 1 1 26 26 CYS N N 26 116.760 116.760 117.046 -0.286 18222 4135 1 10 . 1 1 26 26 CYS CA C 26 61.180 61.180 63.743 -2.563 18222 4136 1 10 . 1 1 26 26 CYS CB C 26 26.390 26.390 27.528 -1.138 18222 4137 1 10 . 1 1 26 26 CYS H H 26 7.950 7.950 8.455 -0.505 18222 4138 1 10 . 1 1 27 27 GLN N N 27 118.690 118.690 120.663 -1.973 18222 4139 1 10 . 1 1 27 27 GLN CA C 27 55.970 55.970 59.636 -3.666 18222 4140 1 10 . 1 1 27 27 GLN H H 27 8.060 8.060 8.205 -0.145 18222 4141 1 10 . 1 1 28 28 SER N N 28 115.490 115.490 114.091 1.399 18222 4142 1 10 . 1 1 28 28 SER HA H 28 3.990 3.990 4.166 -0.176 18222 4143 1 10 . 1 1 28 28 SER CA C 28 61.110 61.110 61.296 -0.186 18222 4144 1 10 . 1 1 28 28 SER H H 28 7.980 7.980 8.369 -0.389 18222 4145 1 10 . 1 1 29 29 HIS N N 29 120.880 120.880 121.939 -1.059 18222 4146 1 10 . 1 1 29 29 HIS CA C 29 58.190 58.190 59.445 -1.255 18222 4147 1 10 . 1 1 29 29 HIS CB C 29 27.460 27.460 29.886 -2.426 18222 4148 1 10 . 1 1 29 29 HIS H H 29 8.180 8.180 8.195 -0.015 18222 4149 1 10 . 1 1 30 30 ALA N N 30 122.920 122.920 122.405 0.515 18222 4150 1 10 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.304 -0.744 18222 4151 1 10 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.351 -0.861 18222 4152 1 10 . 1 1 30 30 ALA H H 30 8.040 8.040 8.038 0.002 18222 4153 1 10 . 1 1 31 31 PHE N N 31 119.340 119.340 119.039 0.301 18222 4154 1 10 . 1 1 31 31 PHE CA C 31 60.370 60.370 62.364 -1.994 18222 4155 1 10 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.323 -0.803 18222 4156 1 10 . 1 1 31 31 PHE H H 31 8.230 8.230 8.368 -0.138 18222 4157 1 10 . 1 1 32 32 MET N N 32 118.110 118.110 118.416 -0.306 18222 4158 1 10 . 1 1 32 32 MET HA H 32 4.050 4.050 4.160 -0.110 18222 4159 1 10 . 1 1 32 32 MET CA C 32 58.280 58.280 58.805 -0.525 18222 4160 1 10 . 1 1 32 32 MET CB C 32 31.090 31.090 32.331 -1.241 18222 4161 1 10 . 1 1 32 32 MET H H 32 8.120 8.120 8.375 -0.255 18222 4162 1 10 . 1 1 33 33 LYS N N 33 119.040 119.040 119.961 -0.921 18222 4163 1 10 . 1 1 33 33 LYS HA H 33 3.930 3.930 4.136 -0.206 18222 4164 1 10 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.813 -0.773 18222 4165 1 10 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.200 -1.210 18222 4166 1 10 . 1 1 33 33 LYS H H 33 7.970 7.970 8.243 -0.273 18222 4167 1 10 . 1 1 34 34 GLY N N 34 108.840 108.840 107.631 1.209 18222 4168 1 10 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.349 -0.739 18222 4169 1 10 . 1 1 34 34 GLY H H 34 8.030 8.030 8.282 -0.252 18222 4170 1 10 . 1 1 35 35 VAL N N 35 122.910 122.910 121.907 1.003 18222 4171 1 10 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.805 0.415 18222 4172 1 10 . 1 1 35 35 VAL CA C 35 66.310 66.310 64.670 1.640 18222 4173 1 10 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.018 -0.459 18222 4174 1 10 . 1 1 35 35 VAL H H 35 8.090 8.090 8.141 -0.051 18222 4175 1 10 . 1 1 36 36 PHE N N 36 120.020 120.020 122.105 -2.085 18222 4176 1 10 . 1 1 36 36 PHE CA C 36 61.350 61.350 61.005 0.345 18222 4177 1 10 . 1 1 36 36 PHE CB C 36 38.090 38.090 38.398 -0.308 18222 4178 1 10 . 1 1 36 36 PHE H H 36 8.350 8.350 8.408 -0.058 18222 4179 1 10 . 1 1 37 37 THR N N 37 116.980 116.980 114.896 2.084 18222 4180 1 10 . 1 1 37 37 THR HA H 37 4.050 4.050 3.317 0.734 18222 4181 1 10 . 1 1 37 37 THR CA C 37 66.000 66.000 66.269 -0.269 18222 4182 1 10 . 1 1 37 37 THR CB C 37 68.270 68.270 68.718 -0.448 18222 4183 1 10 . 1 1 37 37 THR H H 37 8.520 8.520 8.166 0.354 18222 4184 1 10 . 1 1 38 38 PHE N N 38 123.090 123.090 118.548 4.542 18222 4185 1 10 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.236 0.124 18222 4186 1 10 . 1 1 38 38 PHE CA C 38 61.140 61.140 61.088 0.052 18222 4187 1 10 . 1 1 38 38 PHE CB C 38 41.200 41.200 39.517 1.683 18222 4188 1 10 . 1 1 38 38 PHE H H 38 8.010 8.010 7.992 0.018 18222 4189 1 10 . 1 1 39 39 VAL N N 39 117.280 117.280 119.551 -2.271 18222 4190 1 10 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.696 0.514 18222 4191 1 10 . 1 1 39 39 VAL CA C 39 66.000 66.000 65.895 0.105 18222 4192 1 10 . 1 1 39 39 VAL CB C 39 30.860 30.860 31.201 -0.341 18222 4193 1 10 . 1 1 39 39 VAL H H 39 8.530 8.530 8.631 -0.101 18222 4194 1 10 . 1 1 40 40 THR N N 40 109.470 109.470 115.913 -6.443 18222 4195 1 10 . 1 1 40 40 THR HA H 40 4.060 4.060 4.039 0.021 18222 4196 1 10 . 1 1 40 40 THR CA C 40 63.390 63.390 65.427 -2.037 18222 4197 1 10 . 1 1 40 40 THR CB C 40 68.650 68.650 67.792 0.858 18222 4198 1 10 . 1 1 40 40 THR H H 40 7.700 7.700 7.844 -0.144 18222 4199 1 10 . 1 1 41 41 GLY N N 41 110.770 110.770 107.999 2.771 18222 4200 1 10 . 1 1 41 41 GLY CA C 41 45.580 45.580 45.589 -0.009 18222 4201 1 10 . 1 1 41 41 GLY H H 41 7.700 7.700 7.925 -0.225 18222 4202 1 10 . 1 1 42 42 THR N N 42 114.520 114.520 116.628 -2.108 18222 4203 1 10 . 1 1 42 42 THR CA C 42 63.300 63.300 60.981 2.318 18222 4204 1 10 . 1 1 42 42 THR CB C 42 69.490 69.490 68.726 0.764 18222 4205 1 10 . 1 1 42 42 THR H H 42 7.720 7.720 7.386 0.334 18222 4206 1 10 . 1 1 43 43 GLY N N 43 109.540 109.540 109.812 -0.272 18222 4207 1 10 . 1 1 43 43 GLY CA C 43 46.250 46.250 46.652 -0.402 18222 4208 1 10 . 1 1 43 43 GLY H H 43 8.110 8.110 7.592 0.518 18222 4209 1 10 . 1 1 44 44 MET N N 44 120.240 120.240 121.072 -0.832 18222 4210 1 10 . 1 1 44 44 MET HA H 44 4.100 4.100 4.091 0.009 18222 4211 1 10 . 1 1 44 44 MET CA C 44 57.700 57.700 58.643 -0.943 18222 4212 1 10 . 1 1 44 44 MET CB C 44 32.030 32.030 32.580 -0.550 18222 4213 1 10 . 1 1 44 44 MET H H 44 7.730 7.730 7.833 -0.103 18222 4214 1 10 . 1 1 45 45 ALA N N 45 121.560 121.560 121.043 0.517 18222 4215 1 10 . 1 1 45 45 ALA CA C 45 54.440 54.440 55.096 -0.656 18222 4216 1 10 . 1 1 45 45 ALA CB C 45 17.400 17.400 17.757 -0.357 18222 4217 1 10 . 1 1 45 45 ALA H H 45 7.950 7.950 7.879 0.071 18222 4218 1 10 . 1 1 46 46 PHE N N 46 118.260 118.260 119.588 -1.328 18222 4219 1 10 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.132 -0.202 18222 4220 1 10 . 1 1 46 46 PHE CA C 46 59.820 59.820 61.228 -1.408 18222 4221 1 10 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.971 -0.711 18222 4222 1 10 . 1 1 46 46 PHE H H 46 7.860 7.860 7.659 0.201 18222 4223 1 10 . 1 1 47 47 GLY N N 47 107.300 107.300 107.752 -0.452 18222 4224 1 10 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.432 -0.872 18222 4225 1 10 . 1 1 47 47 GLY H H 47 8.200 8.200 8.461 -0.261 18222 4226 1 10 . 1 1 48 48 LEU N N 48 121.920 121.920 122.697 -0.777 18222 4227 1 10 . 1 1 48 48 LEU HA H 48 4.040 4.040 4.061 -0.021 18222 4228 1 10 . 1 1 48 48 LEU CA C 48 57.580 57.580 57.901 -0.321 18222 4229 1 10 . 1 1 48 48 LEU CB C 48 40.790 40.790 41.851 -1.061 18222 4230 1 10 . 1 1 48 48 LEU H H 48 8.180 8.180 8.331 -0.151 18222 4231 1 10 . 1 1 49 49 GLN N N 49 118.270 118.270 118.437 -0.167 18222 4232 1 10 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.867 -0.037 18222 4233 1 10 . 1 1 49 49 GLN CA C 49 58.880 58.880 59.113 -0.233 18222 4234 1 10 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.252 -1.012 18222 4235 1 10 . 1 1 49 49 GLN H H 49 8.080 8.080 8.091 -0.011 18222 4236 1 10 . 1 1 50 50 MET N N 50 117.630 117.630 119.603 -1.973 18222 4237 1 10 . 1 1 50 50 MET HA H 50 4.010 4.010 4.008 0.002 18222 4238 1 10 . 1 1 50 50 MET CA C 50 57.730 57.730 59.607 -1.877 18222 4239 1 10 . 1 1 50 50 MET CB C 50 27.160 27.160 32.715 -5.555 18222 4240 1 10 . 1 1 50 50 MET H H 50 7.880 7.880 8.362 -0.482 18222 4241 1 10 . 1 1 51 51 PHE N N 51 119.550 119.550 120.708 -1.158 18222 4242 1 10 . 1 1 51 51 PHE CA C 51 60.850 60.850 61.436 -0.586 18222 4243 1 10 . 1 1 51 51 PHE CB C 51 38.720 38.720 39.077 -0.357 18222 4244 1 10 . 1 1 51 51 PHE H H 51 7.890 7.890 8.136 -0.246 18222 4245 1 10 . 1 1 52 52 ILE N N 52 117.950 117.950 117.551 0.399 18222 4246 1 10 . 1 1 52 52 ILE HA H 52 4.050 4.050 3.549 0.501 18222 4247 1 10 . 1 1 52 52 ILE CA C 52 63.560 63.560 64.782 -1.222 18222 4248 1 10 . 1 1 52 52 ILE CB C 52 36.810 36.810 37.925 -1.115 18222 4249 1 10 . 1 1 52 52 ILE H H 52 8.110 8.110 8.123 -0.013 18222 4250 1 10 . 1 1 53 53 GLN N N 53 117.360 117.360 119.465 -2.105 18222 4251 1 10 . 1 1 53 53 GLN CA C 53 57.200 57.200 58.806 -1.606 18222 4252 1 10 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.287 -0.417 18222 4253 1 10 . 1 1 53 53 GLN H H 53 7.930 7.930 8.363 -0.433 18222 4254 1 10 . 1 1 54 54 ARG N N 54 116.840 116.840 117.300 -0.460 18222 4255 1 10 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.179 -0.229 18222 4256 1 10 . 1 1 54 54 ARG CA C 54 56.480 56.480 57.851 -1.371 18222 4257 1 10 . 1 1 54 54 ARG CB C 54 28.970 28.970 30.031 -1.061 18222 4258 1 10 . 1 1 54 54 ARG H H 54 7.540 7.540 7.850 -0.310 18222 4259 1 10 . 1 1 55 55 LYS N N 55 117.900 117.900 116.691 1.209 18222 4260 1 10 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.257 -0.177 18222 4261 1 10 . 1 1 55 55 LYS CA C 55 55.030 55.030 56.627 -1.597 18222 4262 1 10 . 1 1 55 55 LYS CB C 55 32.010 32.010 33.426 -1.416 18222 4263 1 10 . 1 1 55 55 LYS H H 55 7.660 7.660 7.550 0.110 18222 4264 1 10 . 1 1 56 56 PHE N N 56 121.060 121.060 121.389 -0.329 18222 4265 1 10 . 1 1 56 56 PHE CA C 56 55.190 55.190 55.272 -0.082 18222 4266 1 10 . 1 1 56 56 PHE CB C 56 38.970 38.970 40.108 -1.137 18222 4267 1 10 . 1 1 56 56 PHE H H 56 8.080 8.080 7.816 0.265 18222 4268 1 10 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.270 -0.880 18222 4269 1 10 . 1 1 57 57 PRO CB C 57 30.580 30.580 30.155 0.425 18222 4270 1 10 . 1 1 58 58 TYR N N 58 120.240 120.240 123.943 -3.703 18222 4271 1 10 . 1 1 58 58 TYR CA C 58 55.770 55.770 55.839 -0.069 18222 4272 1 10 . 1 1 58 58 TYR CB C 58 40.220 40.220 39.250 0.970 18222 4273 1 10 . 1 1 58 58 TYR H H 58 7.700 7.700 8.239 -0.539 18222 4274 1 10 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.867 -1.737 18222 4275 1 10 . 1 1 59 59 PRO CB C 59 33.340 33.340 31.945 1.395 18222 4276 1 10 . 1 1 60 60 LEU N N 60 122.210 122.210 121.142 1.068 18222 4277 1 10 . 1 1 60 60 LEU CA C 60 54.250 54.250 54.635 -0.385 18222 4278 1 10 . 1 1 60 60 LEU CB C 60 41.470 41.470 42.481 -1.011 18222 4279 1 10 . 1 1 60 60 LEU H H 60 7.880 7.880 7.717 0.163 18222 4280 1 10 . 1 1 61 61 GLN N N 61 122.470 122.470 120.467 2.003 18222 4281 1 10 . 1 1 61 61 GLN CA C 61 54.170 54.170 55.347 -1.177 18222 4282 1 10 . 1 1 61 61 GLN H H 61 7.970 7.970 8.199 -0.229 18222 4283 1 10 . 1 1 62 62 TRP N N 62 124.590 124.590 124.810 -0.220 18222 4284 1 10 . 1 1 62 62 TRP CA C 62 59.830 59.830 60.234 -0.404 18222 4285 1 10 . 1 1 62 62 TRP CB C 62 28.800 28.800 28.568 0.232 18222 4286 1 10 . 1 1 62 62 TRP H H 62 8.240 8.240 8.921 -0.681 18222 4287 1 10 . 1 1 63 63 SER N N 63 113.320 113.320 115.253 -1.933 18222 4288 1 10 . 1 1 63 63 SER CA C 63 61.100 61.100 61.751 -0.651 18222 4289 1 10 . 1 1 63 63 SER H H 63 8.410 8.410 7.470 0.940 18222 4290 1 10 . 1 1 64 64 LEU N N 64 123.230 123.230 122.805 0.425 18222 4291 1 10 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.754 -0.874 18222 4292 1 10 . 1 1 64 64 LEU CB C 64 40.830 40.830 41.340 -0.510 18222 4293 1 10 . 1 1 64 64 LEU H H 64 7.230 7.230 7.955 -0.725 18222 4294 1 10 . 1 1 65 65 LEU N N 65 119.400 119.400 120.148 -0.748 18222 4295 1 10 . 1 1 65 65 LEU HA H 65 3.890 3.890 4.100 -0.210 18222 4296 1 10 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.392 -0.812 18222 4297 1 10 . 1 1 65 65 LEU CB C 65 40.710 40.710 41.639 -0.929 18222 4298 1 10 . 1 1 65 65 LEU H H 65 7.510 7.510 8.293 -0.783 18222 4299 1 10 . 1 1 66 66 VAL N N 66 116.950 116.950 119.543 -2.593 18222 4300 1 10 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.868 0.092 18222 4301 1 10 . 1 1 66 66 VAL CA C 66 66.260 66.260 65.005 1.255 18222 4302 1 10 . 1 1 66 66 VAL CB C 66 30.570 30.570 30.833 -0.263 18222 4303 1 10 . 1 1 66 66 VAL H H 66 7.950 7.950 8.324 -0.374 18222 4304 1 10 . 1 1 67 67 ALA N N 67 120.650 120.650 122.786 -2.136 18222 4305 1 10 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.170 -0.170 18222 4306 1 10 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.257 -0.477 18222 4307 1 10 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.285 -0.845 18222 4308 1 10 . 1 1 67 67 ALA H H 67 7.450 7.450 8.197 -0.747 18222 4309 1 10 . 1 1 68 68 VAL N N 68 118.440 118.440 118.283 0.157 18222 4310 1 10 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.679 0.071 18222 4311 1 10 . 1 1 68 68 VAL CA C 68 65.250 65.250 67.020 -1.770 18222 4312 1 10 . 1 1 68 68 VAL CB C 68 30.850 30.850 32.019 -1.169 18222 4313 1 10 . 1 1 68 68 VAL H H 68 7.960 7.960 8.062 -0.102 18222 4314 1 10 . 1 1 69 69 VAL N N 69 120.800 120.800 120.516 0.284 18222 4315 1 10 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.586 0.634 18222 4316 1 10 . 1 1 69 69 VAL CA C 69 66.020 66.020 66.342 -0.322 18222 4317 1 10 . 1 1 69 69 VAL CB C 69 30.850 30.850 31.747 -0.897 18222 4318 1 10 . 1 1 69 69 VAL H H 69 8.080 8.080 8.395 -0.315 18222 4319 1 10 . 1 1 70 70 ALA N N 70 121.740 121.740 120.641 1.099 18222 4320 1 10 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.154 -0.234 18222 4321 1 10 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.542 -0.623 18222 4322 1 10 . 1 1 70 70 ALA CB C 70 17.620 17.620 18.015 -0.395 18222 4323 1 10 . 1 1 70 70 ALA H H 70 8.660 8.660 8.640 0.020 18222 4324 1 10 . 1 1 71 71 GLY N N 71 103.450 103.450 106.497 -3.047 18222 4325 1 10 . 1 1 71 71 GLY CA C 71 46.300 46.300 46.868 -0.568 18222 4326 1 10 . 1 1 71 71 GLY H H 71 8.010 8.010 8.188 -0.178 18222 4327 1 10 . 1 1 72 72 SER N N 72 118.160 118.160 117.790 0.370 18222 4328 1 10 . 1 1 72 72 SER CA C 72 61.260 61.260 61.530 -0.270 18222 4329 1 10 . 1 1 72 72 SER CB C 72 62.870 62.870 63.041 -0.171 18222 4330 1 10 . 1 1 72 72 SER H H 72 7.870 7.870 7.872 -0.002 18222 4331 1 10 . 1 1 73 73 VAL N N 73 121.340 121.340 121.944 -0.604 18222 4332 1 10 . 1 1 73 73 VAL CA C 73 65.750 65.750 65.928 -0.178 18222 4333 1 10 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.114 -0.374 18222 4334 1 10 . 1 1 73 73 VAL H H 73 8.050 8.050 8.232 -0.182 18222 4335 1 10 . 1 1 74 74 VAL N N 74 118.680 118.680 119.259 -0.579 18222 4336 1 10 . 1 1 74 74 VAL CA C 74 65.770 65.770 66.995 -1.225 18222 4337 1 10 . 1 1 74 74 VAL CB C 74 30.740 30.740 31.116 -0.376 18222 4338 1 10 . 1 1 74 74 VAL H H 74 7.880 7.880 8.507 -0.627 18222 4339 1 10 . 1 1 75 75 SER N N 75 114.750 114.750 116.466 -1.716 18222 4340 1 10 . 1 1 75 75 SER HA H 75 4.100 4.100 4.057 0.043 18222 4341 1 10 . 1 1 75 75 SER CA C 75 60.870 60.870 62.074 -1.204 18222 4342 1 10 . 1 1 75 75 SER CB C 75 62.340 62.340 62.949 -0.609 18222 4343 1 10 . 1 1 75 75 SER H H 75 7.870 7.870 7.943 -0.073 18222 4344 1 10 . 1 1 76 76 TYR N N 76 121.110 121.110 121.748 -0.638 18222 4345 1 10 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.670 -1.620 18222 4346 1 10 . 1 1 76 76 TYR CB C 76 37.980 37.980 37.959 0.021 18222 4347 1 10 . 1 1 76 76 TYR H H 76 7.860 7.860 8.423 -0.563 18222 4348 1 10 . 1 1 77 77 GLY N N 77 107.300 107.300 107.402 -0.102 18222 4349 1 10 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.215 -0.655 18222 4350 1 10 . 1 1 77 77 GLY H H 77 8.200 8.200 8.609 -0.409 18222 4351 1 10 . 1 1 78 78 VAL N N 78 119.470 119.470 121.377 -1.907 18222 4352 1 10 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.894 0.276 18222 4353 1 10 . 1 1 78 78 VAL CA C 78 64.650 64.650 65.668 -1.018 18222 4354 1 10 . 1 1 78 78 VAL H H 78 8.140 8.140 8.737 -0.597 18222 4355 1 10 . 1 1 79 79 THR N N 79 112.100 112.100 116.756 -4.656 18222 4356 1 10 . 1 1 79 79 THR CA C 79 63.460 63.460 67.118 -3.658 18222 4357 1 10 . 1 1 79 79 THR CB C 79 68.650 68.650 68.573 0.077 18222 4358 1 10 . 1 1 79 79 THR H H 79 7.640 7.640 8.113 -0.473 18222 4359 1 10 . 1 1 80 80 ARG N N 80 120.770 120.770 122.187 -1.417 18222 4360 1 10 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.234 -0.074 18222 4361 1 10 . 1 1 80 80 ARG CA C 80 56.790 56.790 59.304 -2.514 18222 4362 1 10 . 1 1 80 80 ARG CB C 80 29.430 29.430 30.064 -0.634 18222 4363 1 10 . 1 1 80 80 ARG H H 80 7.680 7.680 8.342 -0.662 18222 4364 1 10 . 1 1 81 81 VAL N N 81 118.370 118.370 120.017 -1.647 18222 4365 1 10 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.801 0.119 18222 4366 1 10 . 1 1 81 81 VAL CA C 81 63.340 63.340 66.333 -2.993 18222 4367 1 10 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.780 -0.520 18222 4368 1 10 . 1 1 81 81 VAL H H 81 7.730 7.730 8.270 -0.540 18222 4369 1 10 . 1 1 82 82 GLU N N 82 120.620 120.620 119.463 1.157 18222 4370 1 10 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.228 -2.908 18222 4371 1 10 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.420 -1.490 18222 4372 1 10 . 1 1 82 82 GLU H H 82 7.920 7.920 8.514 -0.594 18222 4373 1 10 . 1 1 83 83 SER N N 83 116.240 116.240 115.944 0.296 18222 4374 1 10 . 1 1 83 83 SER CA C 83 59.250 59.250 61.550 -2.300 18222 4375 1 10 . 1 1 83 83 SER CB C 83 63.160 63.160 62.985 0.175 18222 4376 1 10 . 1 1 83 83 SER H H 83 7.960 7.960 8.033 -0.073 18222 4377 1 10 . 1 1 84 84 GLU N N 84 123.280 123.280 122.703 0.577 18222 4378 1 10 . 1 1 84 84 GLU HA H 84 4.080 4.080 3.910 0.170 18222 4379 1 10 . 1 1 84 84 GLU CA C 84 57.860 57.860 59.407 -1.547 18222 4380 1 10 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.615 -1.425 18222 4381 1 10 . 1 1 84 84 GLU H H 84 8.470 8.470 8.195 0.275 18222 4382 1 10 . 1 1 85 85 LYS N N 85 118.650 118.650 119.691 -1.041 18222 4383 1 10 . 1 1 85 85 LYS HA H 85 4.100 4.100 4.060 0.040 18222 4384 1 10 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.444 -1.664 18222 4385 1 10 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.564 -1.184 18222 4386 1 10 . 1 1 85 85 LYS H H 85 7.940 7.940 8.071 -0.131 18222 4387 1 10 . 1 1 86 86 CYS N N 86 117.070 117.070 118.062 -0.992 18222 4388 1 10 . 1 1 86 86 CYS CA C 86 60.910 60.910 62.502 -1.592 18222 4389 1 10 . 1 1 86 86 CYS CB C 86 26.740 26.740 26.886 -0.146 18222 4390 1 10 . 1 1 86 86 CYS H H 86 7.840 7.840 8.426 -0.586 18222 4391 1 10 . 1 1 87 87 ASN N N 87 119.370 119.370 119.488 -0.118 18222 4392 1 10 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.457 -0.327 18222 4393 1 10 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.536 -0.786 18222 4394 1 10 . 1 1 87 87 ASN CB C 87 38.050 38.050 37.739 0.311 18222 4395 1 10 . 1 1 87 87 ASN H H 87 8.110 8.110 8.342 -0.232 18222 4396 1 10 . 1 1 88 88 ASN N N 88 117.570 117.570 119.506 -1.936 18222 4397 1 10 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.609 -0.329 18222 4398 1 10 . 1 1 88 88 ASN CA C 88 55.190 55.190 55.980 -0.790 18222 4399 1 10 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.410 -1.010 18222 4400 1 10 . 1 1 88 88 ASN H H 88 8.280 8.280 8.118 0.162 18222 4401 1 10 . 1 1 89 89 LEU N N 89 121.940 121.940 121.571 0.369 18222 4402 1 10 . 1 1 89 89 LEU HA H 89 4.070 4.070 3.882 0.188 18222 4403 1 10 . 1 1 89 89 LEU CA C 89 57.580 57.580 59.214 -1.634 18222 4404 1 10 . 1 1 89 89 LEU CB C 89 40.490 40.490 41.876 -1.386 18222 4405 1 10 . 1 1 89 89 LEU H H 89 7.790 7.790 8.138 -0.348 18222 4406 1 10 . 1 1 90 90 TRP N N 90 119.220 119.220 120.384 -1.164 18222 4407 1 10 . 1 1 90 90 TRP CA C 90 59.120 59.120 61.089 -1.969 18222 4408 1 10 . 1 1 90 90 TRP CB C 90 28.800 28.800 29.570 -0.770 18222 4409 1 10 . 1 1 90 90 TRP H H 90 7.850 7.850 8.476 -0.626 18222 4410 1 10 . 1 1 91 91 LEU N N 91 117.870 117.870 120.187 -2.317 18222 4411 1 10 . 1 1 91 91 LEU CA C 91 57.300 57.300 58.443 -1.143 18222 4412 1 10 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.908 -1.298 18222 4413 1 10 . 1 1 91 91 LEU H H 91 7.920 7.920 8.386 -0.466 18222 4414 1 10 . 1 1 92 92 PHE N N 92 121.280 121.280 116.477 4.803 18222 4415 1 10 . 1 1 92 92 PHE CA C 92 60.390 60.390 61.282 -0.892 18222 4416 1 10 . 1 1 92 92 PHE CB C 92 37.980 37.980 39.090 -1.111 18222 4417 1 10 . 1 1 92 92 PHE H H 92 7.860 7.860 8.033 -0.173 18222 4418 1 10 . 1 1 93 93 LEU N N 93 119.860 119.860 122.315 -2.455 18222 4419 1 10 . 1 1 93 93 LEU CA C 93 56.860 56.860 58.199 -1.339 18222 4420 1 10 . 1 1 93 93 LEU CB C 93 40.550 40.550 41.834 -1.284 18222 4421 1 10 . 1 1 93 93 LEU H H 93 7.980 7.980 8.547 -0.567 18222 4422 1 10 . 1 1 94 94 GLU N N 94 114.660 114.660 117.491 -2.831 18222 4423 1 10 . 1 1 94 94 GLU HA H 94 3.810 3.810 4.109 -0.299 18222 4424 1 10 . 1 1 94 94 GLU CA C 94 57.210 57.210 58.759 -1.549 18222 4425 1 10 . 1 1 94 94 GLU CB C 94 28.470 28.470 29.055 -0.585 18222 4426 1 10 . 1 1 94 94 GLU H H 94 7.890 7.890 8.480 -0.590 18222 4427 1 10 . 1 1 95 95 THR N N 95 108.260 108.260 112.895 -4.635 18222 4428 1 10 . 1 1 95 95 THR CA C 95 62.150 62.150 62.365 -0.215 18222 4429 1 10 . 1 1 95 95 THR CB C 95 70.810 70.810 69.219 1.591 18222 4430 1 10 . 1 1 95 95 THR H H 95 7.690 7.690 7.781 -0.091 18222 4431 1 10 . 1 1 96 96 GLY N N 96 112.220 112.220 109.664 2.556 18222 4432 1 10 . 1 1 96 96 GLY CA C 96 45.410 45.410 44.782 0.628 18222 4433 1 10 . 1 1 96 96 GLY H H 96 8.240 8.240 7.943 0.297 18222 4434 1 10 . 1 1 97 97 GLN N N 97 117.950 117.950 119.277 -1.327 18222 4435 1 10 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.516 -0.316 18222 4436 1 10 . 1 1 97 97 GLN CA C 97 54.430 54.430 55.724 -1.294 18222 4437 1 10 . 1 1 97 97 GLN CB C 97 29.910 29.910 30.499 -0.589 18222 4438 1 10 . 1 1 97 97 GLN H H 97 7.640 7.640 7.902 -0.262 18222 4439 1 10 . 1 1 98 98 LEU N N 98 123.810 123.810 119.244 4.566 18222 4440 1 10 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.396 -0.036 18222 4441 1 10 . 1 1 98 98 LEU CA C 98 52.650 52.650 54.557 -1.907 18222 4442 1 10 . 1 1 98 98 LEU CB C 98 40.460 40.460 40.275 0.185 18222 4443 1 10 . 1 1 98 98 LEU H H 98 8.270 8.270 8.500 -0.230 18222 4444 1 10 . 1 1 99 99 PRO CA C 99 63.180 63.180 62.533 0.647 18222 4445 1 10 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.303 -1.463 18222 4446 1 10 . 1 1 100 100 LYS N N 100 120.630 120.630 117.809 2.821 18222 4447 1 10 . 1 1 100 100 LYS CA C 100 55.730 55.730 55.731 -0.001 18222 4448 1 10 . 1 1 100 100 LYS CB C 100 32.280 32.280 33.890 -1.610 18222 4449 1 10 . 1 1 100 100 LYS H H 100 8.090 8.090 8.396 -0.306 18222 4450 1 10 . 1 1 101 101 ASP N N 101 120.920 120.920 121.905 -0.985 18222 4451 1 10 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.820 -0.630 18222 4452 1 10 . 1 1 101 101 ASP CA C 101 54.000 54.000 53.485 0.515 18222 4453 1 10 . 1 1 101 101 ASP CB C 101 40.330 40.330 41.882 -1.552 18222 4454 1 10 . 1 1 101 101 ASP H H 101 8.190 8.190 8.405 -0.215 18222 4455 1 10 . 1 1 102 102 ARG N N 102 122.210 122.210 119.261 2.949 18222 4456 1 10 . 1 1 102 102 ARG CA C 102 55.590 55.590 56.669 -1.079 18222 4457 1 10 . 1 1 102 102 ARG CB C 102 29.630 29.630 30.375 -0.746 18222 4458 1 10 . 1 1 102 102 ARG H H 102 8.130 8.130 8.593 -0.463 18222 4459 1 10 . 1 1 103 103 SER N N 103 117.230 117.230 115.844 1.386 18222 4460 1 10 . 1 1 103 103 SER HA H 103 4.280 4.280 4.400 -0.120 18222 4461 1 10 . 1 1 103 103 SER CA C 103 58.470 58.470 58.844 -0.374 18222 4462 1 10 . 1 1 103 103 SER CB C 103 63.080 63.080 63.819 -0.738 18222 4463 1 10 . 1 1 103 103 SER H H 103 8.290 8.290 8.490 -0.200 18222 4464 1 10 . 1 1 104 104 THR N N 104 115.430 115.430 119.724 -4.294 18222 4465 1 10 . 1 1 104 104 THR CA C 104 61.570 61.570 63.431 -1.861 18222 4466 1 10 . 1 1 104 104 THR CB C 104 69.030 69.030 68.599 0.431 18222 4467 1 10 . 1 1 104 104 THR H H 104 8.020 8.020 8.253 -0.233 18222 4468 1 10 . 1 1 105 105 ASP N N 105 122.780 122.780 123.436 -0.656 18222 4469 1 10 . 1 1 105 105 ASP CA C 105 54.210 54.210 53.376 0.834 18222 4470 1 10 . 1 1 105 105 ASP CB C 105 40.380 40.380 41.464 -1.084 18222 4471 1 10 . 1 1 105 105 ASP H H 105 8.120 8.120 8.251 -0.131 18222 4472 1 10 . 1 1 106 106 GLN N N 106 120.960 120.960 122.012 -1.052 18222 4473 1 10 . 1 1 106 106 GLN CA C 106 55.420 55.420 56.577 -1.157 18222 4474 1 10 . 1 1 106 106 GLN CB C 106 28.310 28.310 29.573 -1.263 18222 4475 1 10 . 1 1 106 106 GLN H H 106 8.140 8.140 8.610 -0.470 18222 4476 1 10 . 1 1 107 107 ARG N N 107 123.010 123.010 122.576 0.434 18222 4477 1 10 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.494 -0.284 18222 4478 1 10 . 1 1 107 107 ARG CA C 107 55.560 55.560 55.703 -0.143 18222 4479 1 10 . 1 1 107 107 ARG CB C 107 29.920 29.920 31.586 -1.666 18222 4480 1 10 . 1 1 107 107 ARG H H 107 8.180 8.180 8.504 -0.324 18222 4481 1 11 . 1 1 2 2 VAL N N 2 121.590 121.590 125.041 -3.451 18222 4482 1 11 . 1 1 2 2 VAL CA C 2 61.600 61.600 62.512 -0.912 18222 4483 1 11 . 1 1 2 2 VAL CB C 2 31.900 31.900 33.935 -2.035 18222 4484 1 11 . 1 1 2 2 VAL H H 2 8.010 8.010 8.854 -0.844 18222 4485 1 11 . 1 1 3 3 ASN N N 3 122.520 122.520 125.479 -2.959 18222 4486 1 11 . 1 1 3 3 ASN HA H 3 4.020 4.020 4.525 -0.505 18222 4487 1 11 . 1 1 3 3 ASN CA C 3 52.640 52.640 53.596 -0.956 18222 4488 1 11 . 1 1 3 3 ASN CB C 3 38.330 38.330 38.734 -0.404 18222 4489 1 11 . 1 1 3 3 ASN H H 3 8.360 8.360 8.633 -0.273 18222 4490 1 11 . 1 1 4 4 LEU N N 4 123.830 123.830 120.562 3.268 18222 4491 1 11 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.422 -0.202 18222 4492 1 11 . 1 1 4 4 LEU CA C 4 54.620 54.620 56.382 -1.762 18222 4493 1 11 . 1 1 4 4 LEU CB C 4 41.680 41.680 42.023 -0.343 18222 4494 1 11 . 1 1 4 4 LEU H H 4 8.220 8.220 8.074 0.146 18222 4495 1 11 . 1 1 5 5 GLY N N 5 106.810 106.810 109.140 -2.330 18222 4496 1 11 . 1 1 5 5 GLY CA C 5 45.800 45.800 47.294 -1.494 18222 4497 1 11 . 1 1 5 5 GLY H H 5 8.030 8.030 8.366 -0.336 18222 4498 1 11 . 1 1 6 6 LEU N N 6 120.820 120.820 121.147 -0.327 18222 4499 1 11 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.083 -0.033 18222 4500 1 11 . 1 1 6 6 LEU CA C 6 55.990 55.990 57.810 -1.821 18222 4501 1 11 . 1 1 6 6 LEU CB C 6 40.800 40.800 41.954 -1.154 18222 4502 1 11 . 1 1 6 6 LEU H H 6 8.030 8.030 8.204 -0.174 18222 4503 1 11 . 1 1 7 7 SER N N 7 115.540 115.540 113.538 2.002 18222 4504 1 11 . 1 1 7 7 SER HA H 7 4.100 4.100 4.054 0.046 18222 4505 1 11 . 1 1 7 7 SER CA C 7 60.580 60.580 61.664 -1.085 18222 4506 1 11 . 1 1 7 7 SER CB C 7 62.060 62.060 62.804 -0.744 18222 4507 1 11 . 1 1 7 7 SER H H 7 8.360 8.360 8.328 0.032 18222 4508 1 11 . 1 1 8 8 ARG N N 8 120.690 120.690 121.577 -0.887 18222 4509 1 11 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.040 0.120 18222 4510 1 11 . 1 1 8 8 ARG CA C 8 57.350 57.350 59.360 -2.010 18222 4511 1 11 . 1 1 8 8 ARG CB C 8 29.230 29.230 30.183 -0.953 18222 4512 1 11 . 1 1 8 8 ARG H H 8 7.830 7.830 8.151 -0.321 18222 4513 1 11 . 1 1 9 9 VAL N N 9 119.330 119.330 120.343 -1.013 18222 4514 1 11 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.668 0.502 18222 4515 1 11 . 1 1 9 9 VAL CA C 9 64.720 64.720 66.496 -1.776 18222 4516 1 11 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.541 -0.641 18222 4517 1 11 . 1 1 9 9 VAL H H 9 7.620 7.620 8.451 -0.831 18222 4518 1 11 . 1 1 10 10 ASP N N 10 119.520 119.520 120.596 -1.076 18222 4519 1 11 . 1 1 10 10 ASP CA C 10 54.960 54.960 57.655 -2.695 18222 4520 1 11 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.357 -2.557 18222 4521 1 11 . 1 1 10 10 ASP H H 10 8.180 8.180 8.210 -0.030 18222 4522 1 11 . 1 1 11 11 ASP N N 11 121.550 121.550 120.240 1.310 18222 4523 1 11 . 1 1 11 11 ASP CA C 11 54.440 54.440 57.098 -2.658 18222 4524 1 11 . 1 1 11 11 ASP CB C 11 37.840 37.840 40.866 -3.026 18222 4525 1 11 . 1 1 11 11 ASP H H 11 7.950 7.950 8.205 -0.255 18222 4526 1 11 . 1 1 12 12 ALA N N 12 120.220 120.220 123.066 -2.846 18222 4527 1 11 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.206 -0.836 18222 4528 1 11 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.511 6.220 18222 4529 1 11 . 1 1 12 12 ALA H H 12 8.090 8.090 7.905 0.185 18222 4530 1 11 . 1 1 13 13 VAL N N 13 116.910 116.910 118.024 -1.114 18222 4531 1 11 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.739 0.401 18222 4532 1 11 . 1 1 13 13 VAL CA C 13 64.900 64.900 65.209 -0.309 18222 4533 1 11 . 1 1 13 13 VAL CB C 13 31.000 31.000 31.824 -0.824 18222 4534 1 11 . 1 1 13 13 VAL H H 13 7.980 7.980 8.314 -0.334 18222 4535 1 11 . 1 1 14 14 ALA N N 14 122.200 122.200 122.558 -0.358 18222 4536 1 11 . 1 1 14 14 ALA HA H 14 4.020 4.020 3.967 0.053 18222 4537 1 11 . 1 1 14 14 ALA CA C 14 53.800 53.800 55.134 -1.334 18222 4538 1 11 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.308 -0.518 18222 4539 1 11 . 1 1 14 14 ALA H H 14 8.030 8.030 7.948 0.082 18222 4540 1 11 . 1 1 15 15 ALA N N 15 118.600 118.600 117.225 1.375 18222 4541 1 11 . 1 1 15 15 ALA CA C 15 53.230 53.230 54.085 -0.855 18222 4542 1 11 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.575 -0.565 18222 4543 1 11 . 1 1 15 15 ALA H H 15 7.530 7.530 7.941 -0.411 18222 4544 1 11 . 1 1 16 16 LYS N N 16 115.820 115.820 118.097 -2.277 18222 4545 1 11 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.263 -0.183 18222 4546 1 11 . 1 1 16 16 LYS CA C 16 55.670 55.670 57.677 -2.007 18222 4547 1 11 . 1 1 16 16 LYS CB C 16 32.640 32.640 33.020 -0.380 18222 4548 1 11 . 1 1 16 16 LYS H H 16 7.490 7.490 7.764 -0.274 18222 4549 1 11 . 1 1 17 17 HIS N N 17 116.790 116.790 118.871 -2.081 18222 4550 1 11 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.815 -0.715 18222 4551 1 11 . 1 1 17 17 HIS CA C 17 52.820 52.820 54.390 -1.570 18222 4552 1 11 . 1 1 17 17 HIS CB C 17 28.400 28.400 30.329 -1.929 18222 4553 1 11 . 1 1 17 17 HIS H H 17 8.130 8.130 7.969 0.161 18222 4554 1 11 . 1 1 18 18 PRO CA C 18 63.800 63.800 63.570 0.230 18222 4555 1 11 . 1 1 18 18 PRO CB C 18 30.800 30.800 31.818 -1.018 18222 4556 1 11 . 1 1 19 19 GLY N N 19 110.260 110.260 112.251 -1.991 18222 4557 1 11 . 1 1 19 19 GLY CA C 19 45.490 45.490 45.247 0.243 18222 4558 1 11 . 1 1 19 19 GLY H H 19 8.730 8.730 8.348 0.382 18222 4559 1 11 . 1 1 20 20 LEU N N 20 122.650 122.650 125.580 -2.930 18222 4560 1 11 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.210 -0.120 18222 4561 1 11 . 1 1 20 20 LEU CA C 20 57.060 57.060 57.150 -0.090 18222 4562 1 11 . 1 1 20 20 LEU H H 20 7.980 7.980 8.171 -0.191 18222 4563 1 11 . 1 1 21 21 GLY N N 21 107.000 107.000 106.166 0.834 18222 4564 1 11 . 1 1 21 21 GLY CA C 21 46.710 46.710 47.408 -0.698 18222 4565 1 11 . 1 1 21 21 GLY H H 21 8.570 8.570 8.104 0.466 18222 4566 1 11 . 1 1 22 22 GLU N N 22 121.610 121.610 121.951 -0.341 18222 4567 1 11 . 1 1 22 22 GLU HA H 22 3.990 3.990 4.218 -0.228 18222 4568 1 11 . 1 1 22 22 GLU CA C 22 58.280 58.280 59.726 -1.446 18222 4569 1 11 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.587 -1.577 18222 4570 1 11 . 1 1 22 22 GLU H H 22 8.100 8.100 7.800 0.300 18222 4571 1 11 . 1 1 23 23 TYR N N 23 120.870 120.870 120.916 -0.046 18222 4572 1 11 . 1 1 23 23 TYR CA C 23 60.380 60.380 60.619 -0.239 18222 4573 1 11 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.309 -0.559 18222 4574 1 11 . 1 1 23 23 TYR H H 23 7.910 7.910 7.670 0.240 18222 4575 1 11 . 1 1 24 24 ALA N N 24 121.420 121.420 120.742 0.678 18222 4576 1 11 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.017 0.123 18222 4577 1 11 . 1 1 24 24 ALA CA C 24 54.260 54.260 54.845 -0.585 18222 4578 1 11 . 1 1 24 24 ALA H H 24 8.410 8.410 8.931 -0.521 18222 4579 1 11 . 1 1 25 25 ALA N N 25 120.220 120.220 122.242 -2.022 18222 4580 1 11 . 1 1 25 25 ALA CA C 25 54.370 54.370 55.261 -0.891 18222 4581 1 11 . 1 1 25 25 ALA H H 25 8.090 8.090 8.127 -0.037 18222 4582 1 11 . 1 1 26 26 CYS N N 26 116.760 116.760 118.173 -1.413 18222 4583 1 11 . 1 1 26 26 CYS CA C 26 61.180 61.180 62.837 -1.657 18222 4584 1 11 . 1 1 26 26 CYS CB C 26 26.390 26.390 26.746 -0.356 18222 4585 1 11 . 1 1 26 26 CYS H H 26 7.950 7.950 8.282 -0.332 18222 4586 1 11 . 1 1 27 27 GLN N N 27 118.690 118.690 120.492 -1.802 18222 4587 1 11 . 1 1 27 27 GLN CA C 27 55.970 55.970 59.639 -3.668 18222 4588 1 11 . 1 1 27 27 GLN H H 27 8.060 8.060 8.359 -0.299 18222 4589 1 11 . 1 1 28 28 SER N N 28 115.490 115.490 114.619 0.871 18222 4590 1 11 . 1 1 28 28 SER HA H 28 3.990 3.990 4.150 -0.160 18222 4591 1 11 . 1 1 28 28 SER CA C 28 61.110 61.110 61.488 -0.378 18222 4592 1 11 . 1 1 28 28 SER H H 28 7.980 7.980 8.272 -0.292 18222 4593 1 11 . 1 1 29 29 HIS N N 29 120.880 120.880 122.071 -1.191 18222 4594 1 11 . 1 1 29 29 HIS CA C 29 58.190 58.190 59.855 -1.665 18222 4595 1 11 . 1 1 29 29 HIS CB C 29 27.460 27.460 29.882 -2.422 18222 4596 1 11 . 1 1 29 29 HIS H H 29 8.180 8.180 8.693 -0.513 18222 4597 1 11 . 1 1 30 30 ALA N N 30 122.920 122.920 122.716 0.204 18222 4598 1 11 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.322 -0.761 18222 4599 1 11 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.431 -0.941 18222 4600 1 11 . 1 1 30 30 ALA H H 30 8.040 8.040 8.147 -0.107 18222 4601 1 11 . 1 1 31 31 PHE N N 31 119.340 119.340 117.956 1.384 18222 4602 1 11 . 1 1 31 31 PHE CA C 31 60.370 60.370 61.704 -1.334 18222 4603 1 11 . 1 1 31 31 PHE CB C 31 38.520 38.520 38.727 -0.207 18222 4604 1 11 . 1 1 31 31 PHE H H 31 8.230 8.230 8.530 -0.300 18222 4605 1 11 . 1 1 32 32 MET N N 32 118.110 118.110 119.374 -1.264 18222 4606 1 11 . 1 1 32 32 MET HA H 32 4.050 4.050 4.038 0.012 18222 4607 1 11 . 1 1 32 32 MET CA C 32 58.280 58.280 59.360 -1.080 18222 4608 1 11 . 1 1 32 32 MET CB C 32 31.090 31.090 32.390 -1.300 18222 4609 1 11 . 1 1 32 32 MET H H 32 8.120 8.120 8.509 -0.389 18222 4610 1 11 . 1 1 33 33 LYS N N 33 119.040 119.040 119.280 -0.240 18222 4611 1 11 . 1 1 33 33 LYS HA H 33 3.930 3.930 3.907 0.023 18222 4612 1 11 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.783 -0.743 18222 4613 1 11 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.262 -1.272 18222 4614 1 11 . 1 1 33 33 LYS H H 33 7.970 7.970 8.141 -0.171 18222 4615 1 11 . 1 1 34 34 GLY N N 34 108.840 108.840 107.963 0.877 18222 4616 1 11 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.163 -0.554 18222 4617 1 11 . 1 1 34 34 GLY H H 34 8.030 8.030 8.127 -0.097 18222 4618 1 11 . 1 1 35 35 VAL N N 35 122.910 122.910 122.260 0.650 18222 4619 1 11 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.752 0.468 18222 4620 1 11 . 1 1 35 35 VAL CA C 35 66.310 66.310 65.073 1.237 18222 4621 1 11 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.822 -1.262 18222 4622 1 11 . 1 1 35 35 VAL H H 35 8.090 8.090 8.304 -0.214 18222 4623 1 11 . 1 1 36 36 PHE N N 36 120.020 120.020 120.218 -0.198 18222 4624 1 11 . 1 1 36 36 PHE CA C 36 61.350 61.350 62.154 -0.804 18222 4625 1 11 . 1 1 36 36 PHE CB C 36 38.090 38.090 39.238 -1.148 18222 4626 1 11 . 1 1 36 36 PHE H H 36 8.350 8.350 8.355 -0.005 18222 4627 1 11 . 1 1 37 37 THR N N 37 116.980 116.980 115.825 1.155 18222 4628 1 11 . 1 1 37 37 THR HA H 37 4.050 4.050 4.099 -0.049 18222 4629 1 11 . 1 1 37 37 THR CA C 37 66.000 66.000 67.035 -1.035 18222 4630 1 11 . 1 1 37 37 THR CB C 37 68.270 68.270 69.002 -0.732 18222 4631 1 11 . 1 1 37 37 THR H H 37 8.520 8.520 8.605 -0.085 18222 4632 1 11 . 1 1 38 38 PHE N N 38 123.090 123.090 118.509 4.581 18222 4633 1 11 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.325 0.035 18222 4634 1 11 . 1 1 38 38 PHE CA C 38 61.140 61.140 59.993 1.147 18222 4635 1 11 . 1 1 38 38 PHE CB C 38 41.200 41.200 39.147 2.053 18222 4636 1 11 . 1 1 38 38 PHE H H 38 8.010 8.010 8.166 -0.156 18222 4637 1 11 . 1 1 39 39 VAL N N 39 117.280 117.280 120.090 -2.810 18222 4638 1 11 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.733 0.477 18222 4639 1 11 . 1 1 39 39 VAL CA C 39 66.000 66.000 66.670 -0.670 18222 4640 1 11 . 1 1 39 39 VAL CB C 39 30.860 30.860 31.386 -0.526 18222 4641 1 11 . 1 1 39 39 VAL H H 39 8.530 8.530 8.573 -0.043 18222 4642 1 11 . 1 1 40 40 THR N N 40 109.470 109.470 113.005 -3.535 18222 4643 1 11 . 1 1 40 40 THR HA H 40 4.060 4.060 4.226 -0.166 18222 4644 1 11 . 1 1 40 40 THR CA C 40 63.390 63.390 62.758 0.632 18222 4645 1 11 . 1 1 40 40 THR CB C 40 68.650 68.650 67.951 0.699 18222 4646 1 11 . 1 1 40 40 THR H H 40 7.700 7.700 8.116 -0.416 18222 4647 1 11 . 1 1 41 41 GLY N N 41 110.770 110.770 109.718 1.052 18222 4648 1 11 . 1 1 41 41 GLY CA C 41 45.580 45.580 45.543 0.037 18222 4649 1 11 . 1 1 41 41 GLY H H 41 7.700 7.700 7.511 0.189 18222 4650 1 11 . 1 1 42 42 THR N N 42 114.520 114.520 117.312 -2.792 18222 4651 1 11 . 1 1 42 42 THR CA C 42 63.300 63.300 61.374 1.926 18222 4652 1 11 . 1 1 42 42 THR CB C 42 69.490 69.490 68.942 0.548 18222 4653 1 11 . 1 1 42 42 THR H H 42 7.720 7.720 7.375 0.345 18222 4654 1 11 . 1 1 43 43 GLY N N 43 109.540 109.540 110.648 -1.108 18222 4655 1 11 . 1 1 43 43 GLY CA C 43 46.250 46.250 46.633 -0.383 18222 4656 1 11 . 1 1 43 43 GLY H H 43 8.110 8.110 7.771 0.339 18222 4657 1 11 . 1 1 44 44 MET N N 44 120.240 120.240 120.942 -0.702 18222 4658 1 11 . 1 1 44 44 MET HA H 44 4.100 4.100 4.099 0.001 18222 4659 1 11 . 1 1 44 44 MET CA C 44 57.700 57.700 58.515 -0.815 18222 4660 1 11 . 1 1 44 44 MET CB C 44 32.030 32.030 32.557 -0.527 18222 4661 1 11 . 1 1 44 44 MET H H 44 7.730 7.730 7.866 -0.136 18222 4662 1 11 . 1 1 45 45 ALA N N 45 121.560 121.560 121.940 -0.380 18222 4663 1 11 . 1 1 45 45 ALA CA C 45 54.440 54.440 55.287 -0.847 18222 4664 1 11 . 1 1 45 45 ALA CB C 45 17.400 17.400 17.430 -0.030 18222 4665 1 11 . 1 1 45 45 ALA H H 45 7.950 7.950 7.788 0.162 18222 4666 1 11 . 1 1 46 46 PHE N N 46 118.260 118.260 118.449 -0.189 18222 4667 1 11 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.195 -0.265 18222 4668 1 11 . 1 1 46 46 PHE CA C 46 59.820 59.820 61.181 -1.361 18222 4669 1 11 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.542 -0.282 18222 4670 1 11 . 1 1 46 46 PHE H H 46 7.860 7.860 7.579 0.281 18222 4671 1 11 . 1 1 47 47 GLY N N 47 107.300 107.300 108.133 -0.833 18222 4672 1 11 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.229 -0.669 18222 4673 1 11 . 1 1 47 47 GLY H H 47 8.200 8.200 8.511 -0.311 18222 4674 1 11 . 1 1 48 48 LEU N N 48 121.920 121.920 122.907 -0.987 18222 4675 1 11 . 1 1 48 48 LEU HA H 48 4.040 4.040 3.961 0.079 18222 4676 1 11 . 1 1 48 48 LEU CA C 48 57.580 57.580 58.096 -0.516 18222 4677 1 11 . 1 1 48 48 LEU CB C 48 40.790 40.790 41.955 -1.165 18222 4678 1 11 . 1 1 48 48 LEU H H 48 8.180 8.180 8.381 -0.201 18222 4679 1 11 . 1 1 49 49 GLN N N 49 118.270 118.270 118.747 -0.477 18222 4680 1 11 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.879 -0.049 18222 4681 1 11 . 1 1 49 49 GLN CA C 49 58.880 58.880 59.249 -0.369 18222 4682 1 11 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.764 -1.524 18222 4683 1 11 . 1 1 49 49 GLN H H 49 8.080 8.080 8.095 -0.015 18222 4684 1 11 . 1 1 50 50 MET N N 50 117.630 117.630 119.812 -2.182 18222 4685 1 11 . 1 1 50 50 MET HA H 50 4.010 4.010 4.211 -0.201 18222 4686 1 11 . 1 1 50 50 MET CA C 50 57.730 57.730 58.244 -0.514 18222 4687 1 11 . 1 1 50 50 MET CB C 50 27.160 27.160 32.434 -5.274 18222 4688 1 11 . 1 1 50 50 MET H H 50 7.880 7.880 8.510 -0.630 18222 4689 1 11 . 1 1 51 51 PHE N N 51 119.550 119.550 118.517 1.033 18222 4690 1 11 . 1 1 51 51 PHE CA C 51 60.850 60.850 61.944 -1.094 18222 4691 1 11 . 1 1 51 51 PHE CB C 51 38.720 38.720 38.735 -0.015 18222 4692 1 11 . 1 1 51 51 PHE H H 51 7.890 7.890 8.195 -0.305 18222 4693 1 11 . 1 1 52 52 ILE N N 52 117.950 117.950 117.087 0.863 18222 4694 1 11 . 1 1 52 52 ILE HA H 52 4.050 4.050 3.816 0.234 18222 4695 1 11 . 1 1 52 52 ILE CA C 52 63.560 63.560 64.813 -1.253 18222 4696 1 11 . 1 1 52 52 ILE CB C 52 36.810 36.810 37.990 -1.180 18222 4697 1 11 . 1 1 52 52 ILE H H 52 8.110 8.110 8.102 0.008 18222 4698 1 11 . 1 1 53 53 GLN N N 53 117.360 117.360 118.808 -1.448 18222 4699 1 11 . 1 1 53 53 GLN CA C 53 57.200 57.200 58.220 -1.020 18222 4700 1 11 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.004 -0.134 18222 4701 1 11 . 1 1 53 53 GLN H H 53 7.930 7.930 8.189 -0.259 18222 4702 1 11 . 1 1 54 54 ARG N N 54 116.840 116.840 118.843 -2.003 18222 4703 1 11 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.169 -0.219 18222 4704 1 11 . 1 1 54 54 ARG CA C 54 56.480 56.480 58.059 -1.579 18222 4705 1 11 . 1 1 54 54 ARG CB C 54 28.970 28.970 29.913 -0.943 18222 4706 1 11 . 1 1 54 54 ARG H H 54 7.540 7.540 7.842 -0.302 18222 4707 1 11 . 1 1 55 55 LYS N N 55 117.900 117.900 117.907 -0.007 18222 4708 1 11 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.270 -0.190 18222 4709 1 11 . 1 1 55 55 LYS CA C 55 55.030 55.030 56.922 -1.892 18222 4710 1 11 . 1 1 55 55 LYS CB C 55 32.010 32.010 33.256 -1.246 18222 4711 1 11 . 1 1 55 55 LYS H H 55 7.660 7.660 7.450 0.210 18222 4712 1 11 . 1 1 56 56 PHE N N 56 121.060 121.060 121.075 -0.015 18222 4713 1 11 . 1 1 56 56 PHE CA C 56 55.190 55.190 54.674 0.516 18222 4714 1 11 . 1 1 56 56 PHE CB C 56 38.970 38.970 38.666 0.304 18222 4715 1 11 . 1 1 56 56 PHE H H 56 8.080 8.080 8.028 0.052 18222 4716 1 11 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.162 -0.772 18222 4717 1 11 . 1 1 57 57 PRO CB C 57 30.580 30.580 29.894 0.686 18222 4718 1 11 . 1 1 58 58 TYR N N 58 120.240 120.240 124.042 -3.802 18222 4719 1 11 . 1 1 58 58 TYR CA C 58 55.770 55.770 55.364 0.406 18222 4720 1 11 . 1 1 58 58 TYR CB C 58 40.220 40.220 39.857 0.363 18222 4721 1 11 . 1 1 58 58 TYR H H 58 7.700 7.700 8.176 -0.476 18222 4722 1 11 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.870 -1.740 18222 4723 1 11 . 1 1 59 59 PRO CB C 59 33.340 33.340 31.952 1.388 18222 4724 1 11 . 1 1 60 60 LEU N N 60 122.210 122.210 120.556 1.654 18222 4725 1 11 . 1 1 60 60 LEU CA C 60 54.250 54.250 54.541 -0.291 18222 4726 1 11 . 1 1 60 60 LEU CB C 60 41.470 41.470 42.747 -1.277 18222 4727 1 11 . 1 1 60 60 LEU H H 60 7.880 7.880 7.686 0.194 18222 4728 1 11 . 1 1 61 61 GLN N N 61 122.470 122.470 121.091 1.379 18222 4729 1 11 . 1 1 61 61 GLN CA C 61 54.170 54.170 55.029 -0.859 18222 4730 1 11 . 1 1 61 61 GLN H H 61 7.970 7.970 8.369 -0.399 18222 4731 1 11 . 1 1 62 62 TRP N N 62 124.590 124.590 125.426 -0.836 18222 4732 1 11 . 1 1 62 62 TRP CA C 62 59.830 59.830 59.756 0.074 18222 4733 1 11 . 1 1 62 62 TRP CB C 62 28.800 28.800 28.675 0.125 18222 4734 1 11 . 1 1 62 62 TRP H H 62 8.240 8.240 9.118 -0.878 18222 4735 1 11 . 1 1 63 63 SER N N 63 113.320 113.320 115.509 -2.189 18222 4736 1 11 . 1 1 63 63 SER CA C 63 61.100 61.100 60.413 0.687 18222 4737 1 11 . 1 1 63 63 SER H H 63 8.410 8.410 7.719 0.691 18222 4738 1 11 . 1 1 64 64 LEU N N 64 123.230 123.230 122.459 0.771 18222 4739 1 11 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.150 -0.270 18222 4740 1 11 . 1 1 64 64 LEU CB C 64 40.830 40.830 41.194 -0.364 18222 4741 1 11 . 1 1 64 64 LEU H H 64 7.230 7.230 7.277 -0.047 18222 4742 1 11 . 1 1 65 65 LEU N N 65 119.400 119.400 121.186 -1.786 18222 4743 1 11 . 1 1 65 65 LEU HA H 65 3.890 3.890 4.074 -0.184 18222 4744 1 11 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.786 -1.206 18222 4745 1 11 . 1 1 65 65 LEU CB C 65 40.710 40.710 42.082 -1.372 18222 4746 1 11 . 1 1 65 65 LEU H H 65 7.510 7.510 8.709 -1.199 18222 4747 1 11 . 1 1 66 66 VAL N N 66 116.950 116.950 118.823 -1.873 18222 4748 1 11 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.790 0.170 18222 4749 1 11 . 1 1 66 66 VAL CA C 66 66.260 66.260 64.772 1.488 18222 4750 1 11 . 1 1 66 66 VAL CB C 66 30.570 30.570 30.988 -0.418 18222 4751 1 11 . 1 1 66 66 VAL H H 66 7.950 7.950 8.198 -0.248 18222 4752 1 11 . 1 1 67 67 ALA N N 67 120.650 120.650 122.785 -2.135 18222 4753 1 11 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.093 -0.093 18222 4754 1 11 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.239 -0.459 18222 4755 1 11 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.327 -0.887 18222 4756 1 11 . 1 1 67 67 ALA H H 67 7.450 7.450 7.948 -0.498 18222 4757 1 11 . 1 1 68 68 VAL N N 68 118.440 118.440 119.292 -0.852 18222 4758 1 11 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.808 -0.058 18222 4759 1 11 . 1 1 68 68 VAL CA C 68 65.250 65.250 66.370 -1.120 18222 4760 1 11 . 1 1 68 68 VAL CB C 68 30.850 30.850 31.475 -0.625 18222 4761 1 11 . 1 1 68 68 VAL H H 68 7.960 7.960 7.828 0.132 18222 4762 1 11 . 1 1 69 69 VAL N N 69 120.800 120.800 120.896 -0.096 18222 4763 1 11 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.678 0.542 18222 4764 1 11 . 1 1 69 69 VAL CA C 69 66.020 66.020 66.391 -0.371 18222 4765 1 11 . 1 1 69 69 VAL CB C 69 30.850 30.850 31.144 -0.294 18222 4766 1 11 . 1 1 69 69 VAL H H 69 8.080 8.080 8.469 -0.389 18222 4767 1 11 . 1 1 70 70 ALA N N 70 121.740 121.740 120.350 1.390 18222 4768 1 11 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.061 -0.141 18222 4769 1 11 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.282 -0.362 18222 4770 1 11 . 1 1 70 70 ALA CB C 70 17.620 17.620 18.184 -0.564 18222 4771 1 11 . 1 1 70 70 ALA H H 70 8.660 8.660 8.520 0.140 18222 4772 1 11 . 1 1 71 71 GLY N N 71 103.450 103.450 106.978 -3.528 18222 4773 1 11 . 1 1 71 71 GLY CA C 71 46.300 46.300 46.923 -0.623 18222 4774 1 11 . 1 1 71 71 GLY H H 71 8.010 8.010 8.054 -0.044 18222 4775 1 11 . 1 1 72 72 SER N N 72 118.160 118.160 117.773 0.387 18222 4776 1 11 . 1 1 72 72 SER CA C 72 61.260 61.260 62.277 -1.017 18222 4777 1 11 . 1 1 72 72 SER CB C 72 62.870 62.870 63.307 -0.437 18222 4778 1 11 . 1 1 72 72 SER H H 72 7.870 7.870 8.068 -0.198 18222 4779 1 11 . 1 1 73 73 VAL N N 73 121.340 121.340 122.046 -0.706 18222 4780 1 11 . 1 1 73 73 VAL CA C 73 65.750 65.750 66.797 -1.047 18222 4781 1 11 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.259 -0.518 18222 4782 1 11 . 1 1 73 73 VAL H H 73 8.050 8.050 8.202 -0.152 18222 4783 1 11 . 1 1 74 74 VAL N N 74 118.680 118.680 118.816 -0.136 18222 4784 1 11 . 1 1 74 74 VAL CA C 74 65.770 65.770 65.951 -0.181 18222 4785 1 11 . 1 1 74 74 VAL CB C 74 30.740 30.740 30.627 0.114 18222 4786 1 11 . 1 1 74 74 VAL H H 74 7.880 7.880 8.452 -0.572 18222 4787 1 11 . 1 1 75 75 SER N N 75 114.750 114.750 116.405 -1.655 18222 4788 1 11 . 1 1 75 75 SER HA H 75 4.100 4.100 4.166 -0.066 18222 4789 1 11 . 1 1 75 75 SER CA C 75 60.870 60.870 61.646 -0.776 18222 4790 1 11 . 1 1 75 75 SER CB C 75 62.340 62.340 63.016 -0.676 18222 4791 1 11 . 1 1 75 75 SER H H 75 7.870 7.870 8.028 -0.158 18222 4792 1 11 . 1 1 76 76 TYR N N 76 121.110 121.110 122.215 -1.105 18222 4793 1 11 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.800 -1.750 18222 4794 1 11 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.597 -0.617 18222 4795 1 11 . 1 1 76 76 TYR H H 76 7.860 7.860 8.622 -0.762 18222 4796 1 11 . 1 1 77 77 GLY N N 77 107.300 107.300 106.930 0.370 18222 4797 1 11 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.376 -0.816 18222 4798 1 11 . 1 1 77 77 GLY H H 77 8.200 8.200 8.503 -0.303 18222 4799 1 11 . 1 1 78 78 VAL N N 78 119.470 119.470 121.705 -2.235 18222 4800 1 11 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.616 0.554 18222 4801 1 11 . 1 1 78 78 VAL CA C 78 64.650 64.650 66.549 -1.899 18222 4802 1 11 . 1 1 78 78 VAL H H 78 8.140 8.140 8.721 -0.581 18222 4803 1 11 . 1 1 79 79 THR N N 79 112.100 112.100 117.094 -4.994 18222 4804 1 11 . 1 1 79 79 THR CA C 79 63.460 63.460 66.002 -2.542 18222 4805 1 11 . 1 1 79 79 THR CB C 79 68.650 68.650 68.405 0.245 18222 4806 1 11 . 1 1 79 79 THR H H 79 7.640 7.640 8.034 -0.394 18222 4807 1 11 . 1 1 80 80 ARG N N 80 120.770 120.770 122.416 -1.646 18222 4808 1 11 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.151 0.009 18222 4809 1 11 . 1 1 80 80 ARG CA C 80 56.790 56.790 59.868 -3.078 18222 4810 1 11 . 1 1 80 80 ARG CB C 80 29.430 29.430 30.277 -0.847 18222 4811 1 11 . 1 1 80 80 ARG H H 80 7.680 7.680 8.057 -0.377 18222 4812 1 11 . 1 1 81 81 VAL N N 81 118.370 118.370 119.570 -1.200 18222 4813 1 11 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.885 0.035 18222 4814 1 11 . 1 1 81 81 VAL CA C 81 63.340 63.340 64.858 -1.518 18222 4815 1 11 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.862 -0.602 18222 4816 1 11 . 1 1 81 81 VAL H H 81 7.730 7.730 8.292 -0.562 18222 4817 1 11 . 1 1 82 82 GLU N N 82 120.620 120.620 119.885 0.735 18222 4818 1 11 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.806 -3.486 18222 4819 1 11 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.372 -1.442 18222 4820 1 11 . 1 1 82 82 GLU H H 82 7.920 7.920 8.336 -0.416 18222 4821 1 11 . 1 1 83 83 SER N N 83 116.240 116.240 115.941 0.299 18222 4822 1 11 . 1 1 83 83 SER CA C 83 59.250 59.250 61.375 -2.125 18222 4823 1 11 . 1 1 83 83 SER CB C 83 63.160 63.160 62.978 0.182 18222 4824 1 11 . 1 1 83 83 SER H H 83 7.960 7.960 8.171 -0.211 18222 4825 1 11 . 1 1 84 84 GLU N N 84 123.280 123.280 121.615 1.665 18222 4826 1 11 . 1 1 84 84 GLU HA H 84 4.080 4.080 4.015 0.065 18222 4827 1 11 . 1 1 84 84 GLU CA C 84 57.860 57.860 59.882 -2.022 18222 4828 1 11 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.687 -1.497 18222 4829 1 11 . 1 1 84 84 GLU H H 84 8.470 8.470 8.072 0.398 18222 4830 1 11 . 1 1 85 85 LYS N N 85 118.650 118.650 119.131 -0.481 18222 4831 1 11 . 1 1 85 85 LYS HA H 85 4.100 4.100 3.978 0.122 18222 4832 1 11 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.400 -1.620 18222 4833 1 11 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.209 -0.829 18222 4834 1 11 . 1 1 85 85 LYS H H 85 7.940 7.940 8.099 -0.159 18222 4835 1 11 . 1 1 86 86 CYS N N 86 117.070 117.070 118.053 -0.983 18222 4836 1 11 . 1 1 86 86 CYS CA C 86 60.910 60.910 64.038 -3.128 18222 4837 1 11 . 1 1 86 86 CYS CB C 86 26.740 26.740 26.928 -0.188 18222 4838 1 11 . 1 1 86 86 CYS H H 86 7.840 7.840 8.066 -0.226 18222 4839 1 11 . 1 1 87 87 ASN N N 87 119.370 119.370 118.450 0.920 18222 4840 1 11 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.448 -0.318 18222 4841 1 11 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.872 -1.122 18222 4842 1 11 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.610 -0.560 18222 4843 1 11 . 1 1 87 87 ASN H H 87 8.110 8.110 8.509 -0.399 18222 4844 1 11 . 1 1 88 88 ASN N N 88 117.570 117.570 118.801 -1.231 18222 4845 1 11 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.518 -0.238 18222 4846 1 11 . 1 1 88 88 ASN CA C 88 55.190 55.190 55.794 -0.604 18222 4847 1 11 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.347 -0.947 18222 4848 1 11 . 1 1 88 88 ASN H H 88 8.280 8.280 8.233 0.047 18222 4849 1 11 . 1 1 89 89 LEU N N 89 121.940 121.940 121.533 0.407 18222 4850 1 11 . 1 1 89 89 LEU HA H 89 4.070 4.070 3.944 0.126 18222 4851 1 11 . 1 1 89 89 LEU CA C 89 57.580 57.580 58.886 -1.306 18222 4852 1 11 . 1 1 89 89 LEU CB C 89 40.490 40.490 41.884 -1.394 18222 4853 1 11 . 1 1 89 89 LEU H H 89 7.790 7.790 8.100 -0.310 18222 4854 1 11 . 1 1 90 90 TRP N N 90 119.220 119.220 120.871 -1.651 18222 4855 1 11 . 1 1 90 90 TRP CA C 90 59.120 59.120 61.541 -2.421 18222 4856 1 11 . 1 1 90 90 TRP CB C 90 28.800 28.800 29.153 -0.353 18222 4857 1 11 . 1 1 90 90 TRP H H 90 7.850 7.850 8.391 -0.541 18222 4858 1 11 . 1 1 91 91 LEU N N 91 117.870 117.870 120.929 -3.059 18222 4859 1 11 . 1 1 91 91 LEU CA C 91 57.300 57.300 58.328 -1.028 18222 4860 1 11 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.861 -1.251 18222 4861 1 11 . 1 1 91 91 LEU H H 91 7.920 7.920 8.232 -0.312 18222 4862 1 11 . 1 1 92 92 PHE N N 92 121.280 121.280 118.450 2.830 18222 4863 1 11 . 1 1 92 92 PHE CA C 92 60.390 60.390 61.413 -1.023 18222 4864 1 11 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.585 -0.605 18222 4865 1 11 . 1 1 92 92 PHE H H 92 7.860 7.860 8.277 -0.417 18222 4866 1 11 . 1 1 93 93 LEU N N 93 119.860 119.860 121.116 -1.256 18222 4867 1 11 . 1 1 93 93 LEU CA C 93 56.860 56.860 57.759 -0.899 18222 4868 1 11 . 1 1 93 93 LEU CB C 93 40.550 40.550 42.063 -1.513 18222 4869 1 11 . 1 1 93 93 LEU H H 93 7.980 7.980 8.815 -0.835 18222 4870 1 11 . 1 1 94 94 GLU N N 94 114.660 114.660 118.422 -3.762 18222 4871 1 11 . 1 1 94 94 GLU HA H 94 3.810 3.810 4.037 -0.227 18222 4872 1 11 . 1 1 94 94 GLU CA C 94 57.210 57.210 58.613 -1.403 18222 4873 1 11 . 1 1 94 94 GLU CB C 94 28.470 28.470 29.421 -0.951 18222 4874 1 11 . 1 1 94 94 GLU H H 94 7.890 7.890 8.093 -0.203 18222 4875 1 11 . 1 1 95 95 THR N N 95 108.260 108.260 113.083 -4.823 18222 4876 1 11 . 1 1 95 95 THR CA C 95 62.150 62.150 62.376 -0.226 18222 4877 1 11 . 1 1 95 95 THR CB C 95 70.810 70.810 69.117 1.693 18222 4878 1 11 . 1 1 95 95 THR H H 95 7.690 7.690 7.506 0.184 18222 4879 1 11 . 1 1 96 96 GLY N N 96 112.220 112.220 109.008 3.212 18222 4880 1 11 . 1 1 96 96 GLY CA C 96 45.410 45.410 44.974 0.436 18222 4881 1 11 . 1 1 96 96 GLY H H 96 8.240 8.240 7.507 0.733 18222 4882 1 11 . 1 1 97 97 GLN N N 97 117.950 117.950 120.585 -2.635 18222 4883 1 11 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.533 -0.333 18222 4884 1 11 . 1 1 97 97 GLN CA C 97 54.430 54.430 54.269 0.161 18222 4885 1 11 . 1 1 97 97 GLN CB C 97 29.910 29.910 29.442 0.468 18222 4886 1 11 . 1 1 97 97 GLN H H 97 7.640 7.640 8.024 -0.384 18222 4887 1 11 . 1 1 98 98 LEU N N 98 123.810 123.810 123.552 0.258 18222 4888 1 11 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.541 -0.181 18222 4889 1 11 . 1 1 98 98 LEU CA C 98 52.650 52.650 53.689 -1.039 18222 4890 1 11 . 1 1 98 98 LEU CB C 98 40.460 40.460 40.822 -0.362 18222 4891 1 11 . 1 1 98 98 LEU H H 98 8.270 8.270 8.367 -0.097 18222 4892 1 11 . 1 1 99 99 PRO CA C 99 63.180 63.180 62.570 0.610 18222 4893 1 11 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.615 -1.775 18222 4894 1 11 . 1 1 100 100 LYS N N 100 120.630 120.630 119.762 0.868 18222 4895 1 11 . 1 1 100 100 LYS CA C 100 55.730 55.730 56.186 -0.456 18222 4896 1 11 . 1 1 100 100 LYS CB C 100 32.280 32.280 33.156 -0.876 18222 4897 1 11 . 1 1 100 100 LYS H H 100 8.090 8.090 8.562 -0.472 18222 4898 1 11 . 1 1 101 101 ASP N N 101 120.920 120.920 121.052 -0.132 18222 4899 1 11 . 1 1 101 101 ASP HA H 101 4.190 4.190 5.131 -0.941 18222 4900 1 11 . 1 1 101 101 ASP CA C 101 54.000 54.000 53.616 0.384 18222 4901 1 11 . 1 1 101 101 ASP CB C 101 40.330 40.330 43.178 -2.848 18222 4902 1 11 . 1 1 101 101 ASP H H 101 8.190 8.190 8.353 -0.163 18222 4903 1 11 . 1 1 102 102 ARG N N 102 122.210 122.210 120.525 1.685 18222 4904 1 11 . 1 1 102 102 ARG CA C 102 55.590 55.590 55.602 -0.012 18222 4905 1 11 . 1 1 102 102 ARG CB C 102 29.630 29.630 32.016 -2.385 18222 4906 1 11 . 1 1 102 102 ARG H H 102 8.130 8.130 8.292 -0.162 18222 4907 1 11 . 1 1 103 103 SER N N 103 117.230 117.230 115.780 1.450 18222 4908 1 11 . 1 1 103 103 SER HA H 103 4.280 4.280 4.303 -0.023 18222 4909 1 11 . 1 1 103 103 SER CA C 103 58.470 58.470 58.390 0.080 18222 4910 1 11 . 1 1 103 103 SER CB C 103 63.080 63.080 63.653 -0.573 18222 4911 1 11 . 1 1 103 103 SER H H 103 8.290 8.290 8.472 -0.182 18222 4912 1 11 . 1 1 104 104 THR N N 104 115.430 115.430 120.691 -5.261 18222 4913 1 11 . 1 1 104 104 THR CA C 104 61.570 61.570 62.219 -0.649 18222 4914 1 11 . 1 1 104 104 THR CB C 104 69.030 69.030 68.980 0.050 18222 4915 1 11 . 1 1 104 104 THR H H 104 8.020 8.020 8.428 -0.408 18222 4916 1 11 . 1 1 105 105 ASP N N 105 122.780 122.780 126.228 -3.448 18222 4917 1 11 . 1 1 105 105 ASP CA C 105 54.210 54.210 53.775 0.435 18222 4918 1 11 . 1 1 105 105 ASP CB C 105 40.380 40.380 42.452 -2.072 18222 4919 1 11 . 1 1 105 105 ASP H H 105 8.120 8.120 8.610 -0.490 18222 4920 1 11 . 1 1 106 106 GLN N N 106 120.960 120.960 120.316 0.644 18222 4921 1 11 . 1 1 106 106 GLN CA C 106 55.420 55.420 55.457 -0.037 18222 4922 1 11 . 1 1 106 106 GLN CB C 106 28.310 28.310 30.436 -2.126 18222 4923 1 11 . 1 1 106 106 GLN H H 106 8.140 8.140 8.510 -0.370 18222 4924 1 11 . 1 1 107 107 ARG N N 107 123.010 123.010 122.414 0.596 18222 4925 1 11 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.461 -0.251 18222 4926 1 11 . 1 1 107 107 ARG CA C 107 55.560 55.560 56.183 -0.623 18222 4927 1 11 . 1 1 107 107 ARG CB C 107 29.920 29.920 31.103 -1.183 18222 4928 1 11 . 1 1 107 107 ARG H H 107 8.180 8.180 8.735 -0.555 18222 4929 1 12 . 1 1 2 2 VAL N N 2 121.590 121.590 124.300 -2.710 18222 4930 1 12 . 1 1 2 2 VAL CA C 2 61.600 61.600 62.247 -0.647 18222 4931 1 12 . 1 1 2 2 VAL CB C 2 31.900 31.900 33.010 -1.110 18222 4932 1 12 . 1 1 2 2 VAL H H 2 8.010 8.010 8.340 -0.330 18222 4933 1 12 . 1 1 3 3 ASN N N 3 122.520 122.520 124.300 -1.780 18222 4934 1 12 . 1 1 3 3 ASN HA H 3 4.020 4.020 4.590 -0.570 18222 4935 1 12 . 1 1 3 3 ASN CA C 3 52.640 52.640 55.057 -2.417 18222 4936 1 12 . 1 1 3 3 ASN CB C 3 38.330 38.330 38.936 -0.606 18222 4937 1 12 . 1 1 3 3 ASN H H 3 8.360 8.360 8.697 -0.337 18222 4938 1 12 . 1 1 4 4 LEU N N 4 123.830 123.830 117.704 6.126 18222 4939 1 12 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.513 -0.293 18222 4940 1 12 . 1 1 4 4 LEU CA C 4 54.620 54.620 55.339 -0.719 18222 4941 1 12 . 1 1 4 4 LEU CB C 4 41.680 41.680 43.099 -1.419 18222 4942 1 12 . 1 1 4 4 LEU H H 4 8.220 8.220 7.762 0.458 18222 4943 1 12 . 1 1 5 5 GLY N N 5 106.810 106.810 106.534 0.276 18222 4944 1 12 . 1 1 5 5 GLY CA C 5 45.800 45.800 45.799 0.001 18222 4945 1 12 . 1 1 5 5 GLY H H 5 8.030 8.030 8.116 -0.086 18222 4946 1 12 . 1 1 6 6 LEU N N 6 120.820 120.820 119.511 1.309 18222 4947 1 12 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.297 -0.247 18222 4948 1 12 . 1 1 6 6 LEU CA C 6 55.990 55.990 57.828 -1.839 18222 4949 1 12 . 1 1 6 6 LEU CB C 6 40.800 40.800 41.876 -1.076 18222 4950 1 12 . 1 1 6 6 LEU H H 6 8.030 8.030 8.058 -0.028 18222 4951 1 12 . 1 1 7 7 SER N N 7 115.540 115.540 115.845 -0.305 18222 4952 1 12 . 1 1 7 7 SER HA H 7 4.100 4.100 4.179 -0.079 18222 4953 1 12 . 1 1 7 7 SER CA C 7 60.580 60.580 61.894 -1.313 18222 4954 1 12 . 1 1 7 7 SER CB C 7 62.060 62.060 62.492 -0.432 18222 4955 1 12 . 1 1 7 7 SER H H 7 8.360 8.360 8.451 -0.091 18222 4956 1 12 . 1 1 8 8 ARG N N 8 120.690 120.690 121.532 -0.842 18222 4957 1 12 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.095 0.065 18222 4958 1 12 . 1 1 8 8 ARG CA C 8 57.350 57.350 58.972 -1.622 18222 4959 1 12 . 1 1 8 8 ARG CB C 8 29.230 29.230 29.929 -0.699 18222 4960 1 12 . 1 1 8 8 ARG H H 8 7.830 7.830 8.254 -0.424 18222 4961 1 12 . 1 1 9 9 VAL N N 9 119.330 119.330 120.093 -0.763 18222 4962 1 12 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.593 0.577 18222 4963 1 12 . 1 1 9 9 VAL CA C 9 64.720 64.720 67.454 -2.734 18222 4964 1 12 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.604 -0.704 18222 4965 1 12 . 1 1 9 9 VAL H H 9 7.620 7.620 8.466 -0.846 18222 4966 1 12 . 1 1 10 10 ASP N N 10 119.520 119.520 119.500 0.020 18222 4967 1 12 . 1 1 10 10 ASP CA C 10 54.960 54.960 57.434 -2.474 18222 4968 1 12 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.400 -2.600 18222 4969 1 12 . 1 1 10 10 ASP H H 10 8.180 8.180 7.970 0.210 18222 4970 1 12 . 1 1 11 11 ASP N N 11 121.550 121.550 120.157 1.393 18222 4971 1 12 . 1 1 11 11 ASP CA C 11 54.440 54.440 57.459 -3.019 18222 4972 1 12 . 1 1 11 11 ASP CB C 11 37.840 37.840 41.139 -3.299 18222 4973 1 12 . 1 1 11 11 ASP H H 11 7.950 7.950 8.230 -0.280 18222 4974 1 12 . 1 1 12 12 ALA N N 12 120.220 120.220 122.679 -2.459 18222 4975 1 12 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.225 -0.855 18222 4976 1 12 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.450 6.280 18222 4977 1 12 . 1 1 12 12 ALA H H 12 8.090 8.090 8.184 -0.094 18222 4978 1 12 . 1 1 13 13 VAL N N 13 116.910 116.910 119.143 -2.233 18222 4979 1 12 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.538 0.602 18222 4980 1 12 . 1 1 13 13 VAL CA C 13 64.900 64.900 67.200 -2.300 18222 4981 1 12 . 1 1 13 13 VAL CB C 13 31.000 31.000 31.523 -0.523 18222 4982 1 12 . 1 1 13 13 VAL H H 13 7.980 7.980 8.056 -0.076 18222 4983 1 12 . 1 1 14 14 ALA N N 14 122.200 122.200 122.007 0.193 18222 4984 1 12 . 1 1 14 14 ALA HA H 14 4.020 4.020 4.263 -0.243 18222 4985 1 12 . 1 1 14 14 ALA CA C 14 53.800 53.800 54.786 -0.986 18222 4986 1 12 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.578 -0.788 18222 4987 1 12 . 1 1 14 14 ALA H H 14 8.030 8.030 8.195 -0.165 18222 4988 1 12 . 1 1 15 15 ALA N N 15 118.600 118.600 119.391 -0.791 18222 4989 1 12 . 1 1 15 15 ALA CA C 15 53.230 53.230 54.208 -0.978 18222 4990 1 12 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.691 -0.681 18222 4991 1 12 . 1 1 15 15 ALA H H 15 7.530 7.530 7.904 -0.374 18222 4992 1 12 . 1 1 16 16 LYS N N 16 115.820 115.820 116.460 -0.640 18222 4993 1 12 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.139 -0.059 18222 4994 1 12 . 1 1 16 16 LYS CA C 16 55.670 55.670 57.529 -1.859 18222 4995 1 12 . 1 1 16 16 LYS CB C 16 32.640 32.640 33.708 -1.068 18222 4996 1 12 . 1 1 16 16 LYS H H 16 7.490 7.490 7.719 -0.229 18222 4997 1 12 . 1 1 17 17 HIS N N 17 116.790 116.790 116.845 -0.055 18222 4998 1 12 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.949 -0.849 18222 4999 1 12 . 1 1 17 17 HIS CA C 17 52.820 52.820 53.261 -0.441 18222 5000 1 12 . 1 1 17 17 HIS CB C 17 28.400 28.400 30.780 -2.380 18222 5001 1 12 . 1 1 17 17 HIS H H 17 8.130 8.130 8.424 -0.294 18222 5002 1 12 . 1 1 18 18 PRO CA C 18 63.800 63.800 63.670 0.130 18222 5003 1 12 . 1 1 18 18 PRO CB C 18 30.800 30.800 32.339 -1.539 18222 5004 1 12 . 1 1 19 19 GLY N N 19 110.260 110.260 106.083 4.177 18222 5005 1 12 . 1 1 19 19 GLY CA C 19 45.490 45.490 45.417 0.073 18222 5006 1 12 . 1 1 19 19 GLY H H 19 8.730 8.730 8.256 0.474 18222 5007 1 12 . 1 1 20 20 LEU N N 20 122.650 122.650 125.455 -2.805 18222 5008 1 12 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.211 -0.121 18222 5009 1 12 . 1 1 20 20 LEU CA C 20 57.060 57.060 57.502 -0.441 18222 5010 1 12 . 1 1 20 20 LEU H H 20 7.980 7.980 8.211 -0.231 18222 5011 1 12 . 1 1 21 21 GLY N N 21 107.000 107.000 106.974 0.026 18222 5012 1 12 . 1 1 21 21 GLY CA C 21 46.710 46.710 47.278 -0.568 18222 5013 1 12 . 1 1 21 21 GLY H H 21 8.570 8.570 8.605 -0.035 18222 5014 1 12 . 1 1 22 22 GLU N N 22 121.610 121.610 122.033 -0.423 18222 5015 1 12 . 1 1 22 22 GLU HA H 22 3.990 3.990 3.872 0.118 18222 5016 1 12 . 1 1 22 22 GLU CA C 22 58.280 58.280 59.243 -0.963 18222 5017 1 12 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.052 -1.042 18222 5018 1 12 . 1 1 22 22 GLU H H 22 8.100 8.100 8.146 -0.046 18222 5019 1 12 . 1 1 23 23 TYR N N 23 120.870 120.870 121.352 -0.482 18222 5020 1 12 . 1 1 23 23 TYR CA C 23 60.380 60.380 61.364 -0.984 18222 5021 1 12 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.350 -0.600 18222 5022 1 12 . 1 1 23 23 TYR H H 23 7.910 7.910 7.862 0.048 18222 5023 1 12 . 1 1 24 24 ALA N N 24 121.420 121.420 121.554 -0.134 18222 5024 1 12 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.949 0.191 18222 5025 1 12 . 1 1 24 24 ALA CA C 24 54.260 54.260 55.157 -0.897 18222 5026 1 12 . 1 1 24 24 ALA H H 24 8.410 8.410 8.801 -0.391 18222 5027 1 12 . 1 1 25 25 ALA N N 25 120.220 120.220 121.711 -1.491 18222 5028 1 12 . 1 1 25 25 ALA CA C 25 54.370 54.370 55.266 -0.896 18222 5029 1 12 . 1 1 25 25 ALA H H 25 8.090 8.090 8.509 -0.419 18222 5030 1 12 . 1 1 26 26 CYS N N 26 116.760 116.760 117.038 -0.278 18222 5031 1 12 . 1 1 26 26 CYS CA C 26 61.180 61.180 62.613 -1.433 18222 5032 1 12 . 1 1 26 26 CYS CB C 26 26.390 26.390 26.529 -0.139 18222 5033 1 12 . 1 1 26 26 CYS H H 26 7.950 7.950 8.442 -0.492 18222 5034 1 12 . 1 1 27 27 GLN N N 27 118.690 118.690 120.492 -1.802 18222 5035 1 12 . 1 1 27 27 GLN CA C 27 55.970 55.970 59.026 -3.056 18222 5036 1 12 . 1 1 27 27 GLN H H 27 8.060 8.060 7.912 0.148 18222 5037 1 12 . 1 1 28 28 SER N N 28 115.490 115.490 115.607 -0.117 18222 5038 1 12 . 1 1 28 28 SER HA H 28 3.990 3.990 4.183 -0.193 18222 5039 1 12 . 1 1 28 28 SER CA C 28 61.110 61.110 61.702 -0.592 18222 5040 1 12 . 1 1 28 28 SER H H 28 7.980 7.980 8.457 -0.477 18222 5041 1 12 . 1 1 29 29 HIS N N 29 120.880 120.880 120.646 0.234 18222 5042 1 12 . 1 1 29 29 HIS CA C 29 58.190 58.190 59.057 -0.867 18222 5043 1 12 . 1 1 29 29 HIS CB C 29 27.460 27.460 30.048 -2.588 18222 5044 1 12 . 1 1 29 29 HIS H H 29 8.180 8.180 8.595 -0.415 18222 5045 1 12 . 1 1 30 30 ALA N N 30 122.920 122.920 122.194 0.726 18222 5046 1 12 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.209 -0.649 18222 5047 1 12 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.024 -0.534 18222 5048 1 12 . 1 1 30 30 ALA H H 30 8.040 8.040 7.978 0.062 18222 5049 1 12 . 1 1 31 31 PHE N N 31 119.340 119.340 119.713 -0.373 18222 5050 1 12 . 1 1 31 31 PHE CA C 31 60.370 60.370 61.883 -1.513 18222 5051 1 12 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.228 -0.708 18222 5052 1 12 . 1 1 31 31 PHE H H 31 8.230 8.230 8.504 -0.274 18222 5053 1 12 . 1 1 32 32 MET N N 32 118.110 118.110 119.745 -1.635 18222 5054 1 12 . 1 1 32 32 MET HA H 32 4.050 4.050 3.942 0.108 18222 5055 1 12 . 1 1 32 32 MET CA C 32 58.280 58.280 59.327 -1.047 18222 5056 1 12 . 1 1 32 32 MET CB C 32 31.090 31.090 32.295 -1.206 18222 5057 1 12 . 1 1 32 32 MET H H 32 8.120 8.120 8.762 -0.642 18222 5058 1 12 . 1 1 33 33 LYS N N 33 119.040 119.040 119.257 -0.217 18222 5059 1 12 . 1 1 33 33 LYS HA H 33 3.930 3.930 3.883 0.047 18222 5060 1 12 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.846 -0.806 18222 5061 1 12 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.195 -1.205 18222 5062 1 12 . 1 1 33 33 LYS H H 33 7.970 7.970 8.507 -0.537 18222 5063 1 12 . 1 1 34 34 GLY N N 34 108.840 108.840 107.238 1.602 18222 5064 1 12 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.350 -0.740 18222 5065 1 12 . 1 1 34 34 GLY H H 34 8.030 8.030 8.195 -0.165 18222 5066 1 12 . 1 1 35 35 VAL N N 35 122.910 122.910 122.148 0.762 18222 5067 1 12 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.598 0.622 18222 5068 1 12 . 1 1 35 35 VAL CA C 35 66.310 66.310 65.298 1.012 18222 5069 1 12 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.204 -0.644 18222 5070 1 12 . 1 1 35 35 VAL H H 35 8.090 8.090 7.945 0.145 18222 5071 1 12 . 1 1 36 36 PHE N N 36 120.020 120.020 121.249 -1.229 18222 5072 1 12 . 1 1 36 36 PHE CA C 36 61.350 61.350 62.072 -0.722 18222 5073 1 12 . 1 1 36 36 PHE CB C 36 38.090 38.090 39.109 -1.019 18222 5074 1 12 . 1 1 36 36 PHE H H 36 8.350 8.350 8.632 -0.282 18222 5075 1 12 . 1 1 37 37 THR N N 37 116.980 116.980 114.400 2.580 18222 5076 1 12 . 1 1 37 37 THR HA H 37 4.050 4.050 3.985 0.065 18222 5077 1 12 . 1 1 37 37 THR CA C 37 66.000 66.000 65.964 0.036 18222 5078 1 12 . 1 1 37 37 THR CB C 37 68.270 68.270 68.923 -0.653 18222 5079 1 12 . 1 1 37 37 THR H H 37 8.520 8.520 8.227 0.293 18222 5080 1 12 . 1 1 38 38 PHE N N 38 123.090 123.090 118.308 4.782 18222 5081 1 12 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.312 0.048 18222 5082 1 12 . 1 1 38 38 PHE CA C 38 61.140 61.140 61.349 -0.209 18222 5083 1 12 . 1 1 38 38 PHE CB C 38 41.200 41.200 39.397 1.803 18222 5084 1 12 . 1 1 38 38 PHE H H 38 8.010 8.010 8.060 -0.050 18222 5085 1 12 . 1 1 39 39 VAL N N 39 117.280 117.280 119.323 -2.043 18222 5086 1 12 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.700 0.510 18222 5087 1 12 . 1 1 39 39 VAL CA C 39 66.000 66.000 65.375 0.625 18222 5088 1 12 . 1 1 39 39 VAL CB C 39 30.860 30.860 31.679 -0.819 18222 5089 1 12 . 1 1 39 39 VAL H H 39 8.530 8.530 8.631 -0.101 18222 5090 1 12 . 1 1 40 40 THR N N 40 109.470 109.470 115.348 -5.878 18222 5091 1 12 . 1 1 40 40 THR HA H 40 4.060 4.060 4.136 -0.076 18222 5092 1 12 . 1 1 40 40 THR CA C 40 63.390 63.390 63.965 -0.575 18222 5093 1 12 . 1 1 40 40 THR CB C 40 68.650 68.650 68.063 0.587 18222 5094 1 12 . 1 1 40 40 THR H H 40 7.700 7.700 7.749 -0.049 18222 5095 1 12 . 1 1 41 41 GLY N N 41 110.770 110.770 109.191 1.579 18222 5096 1 12 . 1 1 41 41 GLY CA C 41 45.580 45.580 45.108 0.471 18222 5097 1 12 . 1 1 41 41 GLY H H 41 7.700 7.700 7.566 0.134 18222 5098 1 12 . 1 1 42 42 THR N N 42 114.520 114.520 116.418 -1.898 18222 5099 1 12 . 1 1 42 42 THR CA C 42 63.300 63.300 61.287 2.013 18222 5100 1 12 . 1 1 42 42 THR CB C 42 69.490 69.490 69.216 0.274 18222 5101 1 12 . 1 1 42 42 THR H H 42 7.720 7.720 7.322 0.398 18222 5102 1 12 . 1 1 43 43 GLY N N 43 109.540 109.540 110.380 -0.840 18222 5103 1 12 . 1 1 43 43 GLY CA C 43 46.250 46.250 46.581 -0.331 18222 5104 1 12 . 1 1 43 43 GLY H H 43 8.110 8.110 8.003 0.107 18222 5105 1 12 . 1 1 44 44 MET N N 44 120.240 120.240 121.149 -0.909 18222 5106 1 12 . 1 1 44 44 MET HA H 44 4.100 4.100 4.008 0.092 18222 5107 1 12 . 1 1 44 44 MET CA C 44 57.700 57.700 58.923 -1.223 18222 5108 1 12 . 1 1 44 44 MET CB C 44 32.030 32.030 32.471 -0.441 18222 5109 1 12 . 1 1 44 44 MET H H 44 7.730 7.730 8.020 -0.290 18222 5110 1 12 . 1 1 45 45 ALA N N 45 121.560 121.560 121.273 0.287 18222 5111 1 12 . 1 1 45 45 ALA CA C 45 54.440 54.440 55.004 -0.564 18222 5112 1 12 . 1 1 45 45 ALA CB C 45 17.400 17.400 17.770 -0.370 18222 5113 1 12 . 1 1 45 45 ALA H H 45 7.950 7.950 7.813 0.137 18222 5114 1 12 . 1 1 46 46 PHE N N 46 118.260 118.260 119.100 -0.840 18222 5115 1 12 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.300 -0.370 18222 5116 1 12 . 1 1 46 46 PHE CA C 46 59.820 59.820 60.766 -0.946 18222 5117 1 12 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.583 -0.323 18222 5118 1 12 . 1 1 46 46 PHE H H 46 7.860 7.860 8.163 -0.303 18222 5119 1 12 . 1 1 47 47 GLY N N 47 107.300 107.300 108.268 -0.968 18222 5120 1 12 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.272 -0.712 18222 5121 1 12 . 1 1 47 47 GLY H H 47 8.200 8.200 8.713 -0.513 18222 5122 1 12 . 1 1 48 48 LEU N N 48 121.920 121.920 122.655 -0.735 18222 5123 1 12 . 1 1 48 48 LEU HA H 48 4.040 4.040 4.003 0.037 18222 5124 1 12 . 1 1 48 48 LEU CA C 48 57.580 57.580 58.122 -0.542 18222 5125 1 12 . 1 1 48 48 LEU CB C 48 40.790 40.790 41.952 -1.162 18222 5126 1 12 . 1 1 48 48 LEU H H 48 8.180 8.180 8.339 -0.159 18222 5127 1 12 . 1 1 49 49 GLN N N 49 118.270 118.270 118.742 -0.472 18222 5128 1 12 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.892 -0.062 18222 5129 1 12 . 1 1 49 49 GLN CA C 49 58.880 58.880 59.254 -0.374 18222 5130 1 12 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.677 -1.437 18222 5131 1 12 . 1 1 49 49 GLN H H 49 8.080 8.080 8.070 0.010 18222 5132 1 12 . 1 1 50 50 MET N N 50 117.630 117.630 119.091 -1.461 18222 5133 1 12 . 1 1 50 50 MET HA H 50 4.010 4.010 4.107 -0.097 18222 5134 1 12 . 1 1 50 50 MET CA C 50 57.730 57.730 59.792 -2.062 18222 5135 1 12 . 1 1 50 50 MET CB C 50 27.160 27.160 32.806 -5.646 18222 5136 1 12 . 1 1 50 50 MET H H 50 7.880 7.880 8.471 -0.591 18222 5137 1 12 . 1 1 51 51 PHE N N 51 119.550 119.550 119.151 0.399 18222 5138 1 12 . 1 1 51 51 PHE CA C 51 60.850 60.850 61.786 -0.936 18222 5139 1 12 . 1 1 51 51 PHE CB C 51 38.720 38.720 39.014 -0.294 18222 5140 1 12 . 1 1 51 51 PHE H H 51 7.890 7.890 8.209 -0.319 18222 5141 1 12 . 1 1 52 52 ILE N N 52 117.950 117.950 116.625 1.325 18222 5142 1 12 . 1 1 52 52 ILE HA H 52 4.050 4.050 3.910 0.140 18222 5143 1 12 . 1 1 52 52 ILE CA C 52 63.560 63.560 63.989 -0.429 18222 5144 1 12 . 1 1 52 52 ILE CB C 52 36.810 36.810 38.176 -1.366 18222 5145 1 12 . 1 1 52 52 ILE H H 52 8.110 8.110 8.076 0.034 18222 5146 1 12 . 1 1 53 53 GLN N N 53 117.360 117.360 119.329 -1.969 18222 5147 1 12 . 1 1 53 53 GLN CA C 53 57.200 57.200 58.542 -1.342 18222 5148 1 12 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.429 -0.559 18222 5149 1 12 . 1 1 53 53 GLN H H 53 7.930 7.930 8.446 -0.516 18222 5150 1 12 . 1 1 54 54 ARG N N 54 116.840 116.840 118.445 -1.605 18222 5151 1 12 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.169 -0.219 18222 5152 1 12 . 1 1 54 54 ARG CA C 54 56.480 56.480 57.457 -0.977 18222 5153 1 12 . 1 1 54 54 ARG CB C 54 28.970 28.970 30.075 -1.105 18222 5154 1 12 . 1 1 54 54 ARG H H 54 7.540 7.540 7.900 -0.360 18222 5155 1 12 . 1 1 55 55 LYS N N 55 117.900 117.900 116.859 1.041 18222 5156 1 12 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.236 -0.156 18222 5157 1 12 . 1 1 55 55 LYS CA C 55 55.030 55.030 57.138 -2.108 18222 5158 1 12 . 1 1 55 55 LYS CB C 55 32.010 32.010 32.295 -0.285 18222 5159 1 12 . 1 1 55 55 LYS H H 55 7.660 7.660 7.435 0.225 18222 5160 1 12 . 1 1 56 56 PHE N N 56 121.060 121.060 122.806 -1.746 18222 5161 1 12 . 1 1 56 56 PHE CA C 56 55.190 55.190 55.357 -0.167 18222 5162 1 12 . 1 1 56 56 PHE CB C 56 38.970 38.970 39.905 -0.935 18222 5163 1 12 . 1 1 56 56 PHE H H 56 8.080 8.080 7.809 0.271 18222 5164 1 12 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.603 -1.214 18222 5165 1 12 . 1 1 57 57 PRO CB C 57 30.580 30.580 31.791 -1.211 18222 5166 1 12 . 1 1 58 58 TYR N N 58 120.240 120.240 120.472 -0.232 18222 5167 1 12 . 1 1 58 58 TYR CA C 58 55.770 55.770 55.668 0.102 18222 5168 1 12 . 1 1 58 58 TYR CB C 58 40.220 40.220 39.612 0.608 18222 5169 1 12 . 1 1 58 58 TYR H H 58 7.700 7.700 7.998 -0.298 18222 5170 1 12 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.699 -1.569 18222 5171 1 12 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.230 1.110 18222 5172 1 12 . 1 1 60 60 LEU N N 60 122.210 122.210 120.228 1.982 18222 5173 1 12 . 1 1 60 60 LEU CA C 60 54.250 54.250 55.107 -0.857 18222 5174 1 12 . 1 1 60 60 LEU CB C 60 41.470 41.470 42.509 -1.039 18222 5175 1 12 . 1 1 60 60 LEU H H 60 7.880 7.880 7.946 -0.066 18222 5176 1 12 . 1 1 61 61 GLN N N 61 122.470 122.470 120.311 2.159 18222 5177 1 12 . 1 1 61 61 GLN CA C 61 54.170 54.170 55.341 -1.171 18222 5178 1 12 . 1 1 61 61 GLN H H 61 7.970 7.970 8.220 -0.250 18222 5179 1 12 . 1 1 62 62 TRP N N 62 124.590 124.590 124.952 -0.362 18222 5180 1 12 . 1 1 62 62 TRP CA C 62 59.830 59.830 60.417 -0.587 18222 5181 1 12 . 1 1 62 62 TRP CB C 62 28.800 28.800 29.322 -0.522 18222 5182 1 12 . 1 1 62 62 TRP H H 62 8.240 8.240 8.657 -0.417 18222 5183 1 12 . 1 1 63 63 SER N N 63 113.320 113.320 115.146 -1.826 18222 5184 1 12 . 1 1 63 63 SER CA C 63 61.100 61.100 61.489 -0.389 18222 5185 1 12 . 1 1 63 63 SER H H 63 8.410 8.410 7.932 0.478 18222 5186 1 12 . 1 1 64 64 LEU N N 64 123.230 123.230 121.968 1.262 18222 5187 1 12 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.064 -0.184 18222 5188 1 12 . 1 1 64 64 LEU CB C 64 40.830 40.830 40.978 -0.148 18222 5189 1 12 . 1 1 64 64 LEU H H 64 7.230 7.230 8.126 -0.896 18222 5190 1 12 . 1 1 65 65 LEU N N 65 119.400 119.400 121.078 -1.678 18222 5191 1 12 . 1 1 65 65 LEU HA H 65 3.890 3.890 4.089 -0.199 18222 5192 1 12 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.401 -0.821 18222 5193 1 12 . 1 1 65 65 LEU CB C 65 40.710 40.710 42.021 -1.311 18222 5194 1 12 . 1 1 65 65 LEU H H 65 7.510 7.510 8.295 -0.785 18222 5195 1 12 . 1 1 66 66 VAL N N 66 116.950 116.950 119.148 -2.198 18222 5196 1 12 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.728 0.232 18222 5197 1 12 . 1 1 66 66 VAL CA C 66 66.260 66.260 65.532 0.728 18222 5198 1 12 . 1 1 66 66 VAL CB C 66 30.570 30.570 31.127 -0.557 18222 5199 1 12 . 1 1 66 66 VAL H H 66 7.950 7.950 8.424 -0.474 18222 5200 1 12 . 1 1 67 67 ALA N N 67 120.650 120.650 122.699 -2.049 18222 5201 1 12 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.129 -0.129 18222 5202 1 12 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.188 -0.408 18222 5203 1 12 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.485 -1.044 18222 5204 1 12 . 1 1 67 67 ALA H H 67 7.450 7.450 7.901 -0.451 18222 5205 1 12 . 1 1 68 68 VAL N N 68 118.440 118.440 118.444 -0.004 18222 5206 1 12 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.578 0.172 18222 5207 1 12 . 1 1 68 68 VAL CA C 68 65.250 65.250 66.803 -1.553 18222 5208 1 12 . 1 1 68 68 VAL CB C 68 30.850 30.850 32.097 -1.247 18222 5209 1 12 . 1 1 68 68 VAL H H 68 7.960 7.960 7.858 0.102 18222 5210 1 12 . 1 1 69 69 VAL N N 69 120.800 120.800 120.200 0.600 18222 5211 1 12 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.681 0.539 18222 5212 1 12 . 1 1 69 69 VAL CA C 69 66.020 66.020 65.711 0.309 18222 5213 1 12 . 1 1 69 69 VAL CB C 69 30.850 30.850 30.469 0.381 18222 5214 1 12 . 1 1 69 69 VAL H H 69 8.080 8.080 8.463 -0.383 18222 5215 1 12 . 1 1 70 70 ALA N N 70 121.740 121.740 121.057 0.683 18222 5216 1 12 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.207 -0.287 18222 5217 1 12 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.437 -0.517 18222 5218 1 12 . 1 1 70 70 ALA CB C 70 17.620 17.620 18.225 -0.605 18222 5219 1 12 . 1 1 70 70 ALA H H 70 8.660 8.660 8.612 0.048 18222 5220 1 12 . 1 1 71 71 GLY N N 71 103.450 103.450 106.599 -3.149 18222 5221 1 12 . 1 1 71 71 GLY CA C 71 46.300 46.300 47.002 -0.702 18222 5222 1 12 . 1 1 71 71 GLY H H 71 8.010 8.010 8.160 -0.150 18222 5223 1 12 . 1 1 72 72 SER N N 72 118.160 118.160 118.534 -0.374 18222 5224 1 12 . 1 1 72 72 SER CA C 72 61.260 61.260 61.980 -0.720 18222 5225 1 12 . 1 1 72 72 SER CB C 72 62.870 62.870 63.141 -0.271 18222 5226 1 12 . 1 1 72 72 SER H H 72 7.870 7.870 8.039 -0.169 18222 5227 1 12 . 1 1 73 73 VAL N N 73 121.340 121.340 122.164 -0.824 18222 5228 1 12 . 1 1 73 73 VAL CA C 73 65.750 65.750 67.259 -1.509 18222 5229 1 12 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.774 -1.034 18222 5230 1 12 . 1 1 73 73 VAL H H 73 8.050 8.050 8.093 -0.043 18222 5231 1 12 . 1 1 74 74 VAL N N 74 118.680 118.680 118.950 -0.270 18222 5232 1 12 . 1 1 74 74 VAL CA C 74 65.770 65.770 66.819 -1.049 18222 5233 1 12 . 1 1 74 74 VAL CB C 74 30.740 30.740 31.307 -0.567 18222 5234 1 12 . 1 1 74 74 VAL H H 74 7.880 7.880 8.515 -0.635 18222 5235 1 12 . 1 1 75 75 SER N N 75 114.750 114.750 116.699 -1.949 18222 5236 1 12 . 1 1 75 75 SER HA H 75 4.100 4.100 4.165 -0.065 18222 5237 1 12 . 1 1 75 75 SER CA C 75 60.870 60.870 62.101 -1.231 18222 5238 1 12 . 1 1 75 75 SER CB C 75 62.340 62.340 63.083 -0.743 18222 5239 1 12 . 1 1 75 75 SER H H 75 7.870 7.870 7.887 -0.017 18222 5240 1 12 . 1 1 76 76 TYR N N 76 121.110 121.110 121.670 -0.560 18222 5241 1 12 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.916 -1.866 18222 5242 1 12 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.417 -0.438 18222 5243 1 12 . 1 1 76 76 TYR H H 76 7.860 7.860 8.702 -0.842 18222 5244 1 12 . 1 1 77 77 GLY N N 77 107.300 107.300 106.502 0.798 18222 5245 1 12 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.279 -0.719 18222 5246 1 12 . 1 1 77 77 GLY H H 77 8.200 8.200 8.459 -0.259 18222 5247 1 12 . 1 1 78 78 VAL N N 78 119.470 119.470 121.996 -2.526 18222 5248 1 12 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.755 0.415 18222 5249 1 12 . 1 1 78 78 VAL CA C 78 64.650 64.650 66.066 -1.416 18222 5250 1 12 . 1 1 78 78 VAL H H 78 8.140 8.140 8.468 -0.328 18222 5251 1 12 . 1 1 79 79 THR N N 79 112.100 112.100 115.886 -3.786 18222 5252 1 12 . 1 1 79 79 THR CA C 79 63.460 63.460 66.801 -3.341 18222 5253 1 12 . 1 1 79 79 THR CB C 79 68.650 68.650 68.727 -0.077 18222 5254 1 12 . 1 1 79 79 THR H H 79 7.640 7.640 8.198 -0.558 18222 5255 1 12 . 1 1 80 80 ARG N N 80 120.770 120.770 121.130 -0.360 18222 5256 1 12 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.102 0.058 18222 5257 1 12 . 1 1 80 80 ARG CA C 80 56.790 56.790 60.092 -3.302 18222 5258 1 12 . 1 1 80 80 ARG CB C 80 29.430 29.430 30.295 -0.865 18222 5259 1 12 . 1 1 80 80 ARG H H 80 7.680 7.680 8.024 -0.344 18222 5260 1 12 . 1 1 81 81 VAL N N 81 118.370 118.370 119.485 -1.115 18222 5261 1 12 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.754 0.166 18222 5262 1 12 . 1 1 81 81 VAL CA C 81 63.340 63.340 66.775 -3.435 18222 5263 1 12 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.883 -0.623 18222 5264 1 12 . 1 1 81 81 VAL H H 81 7.730 7.730 8.261 -0.531 18222 5265 1 12 . 1 1 82 82 GLU N N 82 120.620 120.620 119.427 1.193 18222 5266 1 12 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.616 -3.296 18222 5267 1 12 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.349 -1.419 18222 5268 1 12 . 1 1 82 82 GLU H H 82 7.920 7.920 8.554 -0.634 18222 5269 1 12 . 1 1 83 83 SER N N 83 116.240 116.240 116.249 -0.009 18222 5270 1 12 . 1 1 83 83 SER CA C 83 59.250 59.250 62.218 -2.968 18222 5271 1 12 . 1 1 83 83 SER CB C 83 63.160 63.160 62.949 0.211 18222 5272 1 12 . 1 1 83 83 SER H H 83 7.960 7.960 8.005 -0.045 18222 5273 1 12 . 1 1 84 84 GLU N N 84 123.280 123.280 121.345 1.935 18222 5274 1 12 . 1 1 84 84 GLU HA H 84 4.080 4.080 4.029 0.051 18222 5275 1 12 . 1 1 84 84 GLU CA C 84 57.860 57.860 59.893 -2.033 18222 5276 1 12 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.627 -1.437 18222 5277 1 12 . 1 1 84 84 GLU H H 84 8.470 8.470 8.068 0.402 18222 5278 1 12 . 1 1 85 85 LYS N N 85 118.650 118.650 119.509 -0.859 18222 5279 1 12 . 1 1 85 85 LYS HA H 85 4.100 4.100 4.160 -0.060 18222 5280 1 12 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.389 -1.609 18222 5281 1 12 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.483 -1.103 18222 5282 1 12 . 1 1 85 85 LYS H H 85 7.940 7.940 8.194 -0.254 18222 5283 1 12 . 1 1 86 86 CYS N N 86 117.070 117.070 118.435 -1.365 18222 5284 1 12 . 1 1 86 86 CYS CA C 86 60.910 60.910 62.999 -2.090 18222 5285 1 12 . 1 1 86 86 CYS CB C 86 26.740 26.740 26.493 0.247 18222 5286 1 12 . 1 1 86 86 CYS H H 86 7.840 7.840 8.388 -0.548 18222 5287 1 12 . 1 1 87 87 ASN N N 87 119.370 119.370 119.671 -0.301 18222 5288 1 12 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.775 -0.645 18222 5289 1 12 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.988 -1.238 18222 5290 1 12 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.123 -0.073 18222 5291 1 12 . 1 1 87 87 ASN H H 87 8.110 8.110 8.618 -0.508 18222 5292 1 12 . 1 1 88 88 ASN N N 88 117.570 117.570 119.696 -2.126 18222 5293 1 12 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.359 -0.079 18222 5294 1 12 . 1 1 88 88 ASN CA C 88 55.190 55.190 56.545 -1.355 18222 5295 1 12 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.645 -1.245 18222 5296 1 12 . 1 1 88 88 ASN H H 88 8.280 8.280 8.258 0.022 18222 5297 1 12 . 1 1 89 89 LEU N N 89 121.940 121.940 121.894 0.046 18222 5298 1 12 . 1 1 89 89 LEU HA H 89 4.070 4.070 4.370 -0.300 18222 5299 1 12 . 1 1 89 89 LEU CA C 89 57.580 57.580 59.409 -1.829 18222 5300 1 12 . 1 1 89 89 LEU CB C 89 40.490 40.490 42.129 -1.639 18222 5301 1 12 . 1 1 89 89 LEU H H 89 7.790 7.790 8.484 -0.694 18222 5302 1 12 . 1 1 90 90 TRP N N 90 119.220 119.220 121.211 -1.991 18222 5303 1 12 . 1 1 90 90 TRP CA C 90 59.120 59.120 61.080 -1.960 18222 5304 1 12 . 1 1 90 90 TRP CB C 90 28.800 28.800 28.691 0.109 18222 5305 1 12 . 1 1 90 90 TRP H H 90 7.850 7.850 8.695 -0.845 18222 5306 1 12 . 1 1 91 91 LEU N N 91 117.870 117.870 120.485 -2.615 18222 5307 1 12 . 1 1 91 91 LEU CA C 91 57.300 57.300 58.693 -1.393 18222 5308 1 12 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.252 -0.641 18222 5309 1 12 . 1 1 91 91 LEU H H 91 7.920 7.920 7.937 -0.017 18222 5310 1 12 . 1 1 92 92 PHE N N 92 121.280 121.280 118.412 2.868 18222 5311 1 12 . 1 1 92 92 PHE CA C 92 60.390 60.390 62.085 -1.695 18222 5312 1 12 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.315 -0.334 18222 5313 1 12 . 1 1 92 92 PHE H H 92 7.860 7.860 7.915 -0.055 18222 5314 1 12 . 1 1 93 93 LEU N N 93 119.860 119.860 120.040 -0.180 18222 5315 1 12 . 1 1 93 93 LEU CA C 93 56.860 56.860 58.638 -1.778 18222 5316 1 12 . 1 1 93 93 LEU CB C 93 40.550 40.550 41.885 -1.335 18222 5317 1 12 . 1 1 93 93 LEU H H 93 7.980 7.980 8.829 -0.849 18222 5318 1 12 . 1 1 94 94 GLU N N 94 114.660 114.660 117.875 -3.215 18222 5319 1 12 . 1 1 94 94 GLU HA H 94 3.810 3.810 4.101 -0.291 18222 5320 1 12 . 1 1 94 94 GLU CA C 94 57.210 57.210 59.219 -2.009 18222 5321 1 12 . 1 1 94 94 GLU CB C 94 28.470 28.470 29.596 -1.127 18222 5322 1 12 . 1 1 94 94 GLU H H 94 7.890 7.890 8.199 -0.309 18222 5323 1 12 . 1 1 95 95 THR N N 95 108.260 108.260 111.424 -3.164 18222 5324 1 12 . 1 1 95 95 THR CA C 95 62.150 62.150 62.655 -0.505 18222 5325 1 12 . 1 1 95 95 THR CB C 95 70.810 70.810 69.758 1.052 18222 5326 1 12 . 1 1 95 95 THR H H 95 7.690 7.690 7.512 0.178 18222 5327 1 12 . 1 1 96 96 GLY N N 96 112.220 112.220 110.025 2.195 18222 5328 1 12 . 1 1 96 96 GLY CA C 96 45.410 45.410 44.823 0.587 18222 5329 1 12 . 1 1 96 96 GLY H H 96 8.240 8.240 7.989 0.251 18222 5330 1 12 . 1 1 97 97 GLN N N 97 117.950 117.950 121.124 -3.174 18222 5331 1 12 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.432 -0.232 18222 5332 1 12 . 1 1 97 97 GLN CA C 97 54.430 54.430 54.804 -0.374 18222 5333 1 12 . 1 1 97 97 GLN CB C 97 29.910 29.910 28.185 1.725 18222 5334 1 12 . 1 1 97 97 GLN H H 97 7.640 7.640 8.689 -1.049 18222 5335 1 12 . 1 1 98 98 LEU N N 98 123.810 123.810 120.916 2.894 18222 5336 1 12 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.532 -0.172 18222 5337 1 12 . 1 1 98 98 LEU CA C 98 52.650 52.650 54.129 -1.479 18222 5338 1 12 . 1 1 98 98 LEU CB C 98 40.460 40.460 40.891 -0.431 18222 5339 1 12 . 1 1 98 98 LEU H H 98 8.270 8.270 7.569 0.701 18222 5340 1 12 . 1 1 99 99 PRO CA C 99 63.180 63.180 63.443 -0.263 18222 5341 1 12 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.160 -1.321 18222 5342 1 12 . 1 1 100 100 LYS N N 100 120.630 120.630 117.909 2.721 18222 5343 1 12 . 1 1 100 100 LYS CA C 100 55.730 55.730 56.763 -1.033 18222 5344 1 12 . 1 1 100 100 LYS CB C 100 32.280 32.280 31.954 0.326 18222 5345 1 12 . 1 1 100 100 LYS H H 100 8.090 8.090 8.129 -0.039 18222 5346 1 12 . 1 1 101 101 ASP N N 101 120.920 120.920 121.475 -0.555 18222 5347 1 12 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.747 -0.557 18222 5348 1 12 . 1 1 101 101 ASP CA C 101 54.000 54.000 53.362 0.638 18222 5349 1 12 . 1 1 101 101 ASP CB C 101 40.330 40.330 41.953 -1.623 18222 5350 1 12 . 1 1 101 101 ASP H H 101 8.190 8.190 8.101 0.089 18222 5351 1 12 . 1 1 102 102 ARG N N 102 122.210 122.210 122.695 -0.485 18222 5352 1 12 . 1 1 102 102 ARG CA C 102 55.590 55.590 56.438 -0.848 18222 5353 1 12 . 1 1 102 102 ARG CB C 102 29.630 29.630 29.798 -0.168 18222 5354 1 12 . 1 1 102 102 ARG H H 102 8.130 8.130 8.648 -0.518 18222 5355 1 12 . 1 1 103 103 SER N N 103 117.230 117.230 116.146 1.084 18222 5356 1 12 . 1 1 103 103 SER HA H 103 4.280 4.280 4.396 -0.116 18222 5357 1 12 . 1 1 103 103 SER CA C 103 58.470 58.470 59.772 -1.302 18222 5358 1 12 . 1 1 103 103 SER CB C 103 63.080 63.080 63.622 -0.542 18222 5359 1 12 . 1 1 103 103 SER H H 103 8.290 8.290 8.567 -0.277 18222 5360 1 12 . 1 1 104 104 THR N N 104 115.430 115.430 113.439 1.991 18222 5361 1 12 . 1 1 104 104 THR CA C 104 61.570 61.570 61.950 -0.381 18222 5362 1 12 . 1 1 104 104 THR CB C 104 69.030 69.030 69.514 -0.484 18222 5363 1 12 . 1 1 104 104 THR H H 104 8.020 8.020 7.706 0.314 18222 5364 1 12 . 1 1 105 105 ASP N N 105 122.780 122.780 121.860 0.920 18222 5365 1 12 . 1 1 105 105 ASP CA C 105 54.210 54.210 54.173 0.037 18222 5366 1 12 . 1 1 105 105 ASP CB C 105 40.380 40.380 42.514 -2.134 18222 5367 1 12 . 1 1 105 105 ASP H H 105 8.120 8.120 8.213 -0.093 18222 5368 1 12 . 1 1 106 106 GLN N N 106 120.960 120.960 119.960 1.000 18222 5369 1 12 . 1 1 106 106 GLN CA C 106 55.420 55.420 54.682 0.738 18222 5370 1 12 . 1 1 106 106 GLN CB C 106 28.310 28.310 32.143 -3.833 18222 5371 1 12 . 1 1 106 106 GLN H H 106 8.140 8.140 8.611 -0.471 18222 5372 1 12 . 1 1 107 107 ARG N N 107 123.010 123.010 120.788 2.222 18222 5373 1 12 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.625 -0.415 18222 5374 1 12 . 1 1 107 107 ARG CA C 107 55.560 55.560 55.752 -0.192 18222 5375 1 12 . 1 1 107 107 ARG CB C 107 29.920 29.920 31.513 -1.593 18222 5376 1 12 . 1 1 107 107 ARG H H 107 8.180 8.180 8.621 -0.441 18222 5377 1 13 . 1 1 2 2 VAL N N 2 121.590 121.590 122.005 -0.415 18222 5378 1 13 . 1 1 2 2 VAL CA C 2 61.600 61.600 62.477 -0.877 18222 5379 1 13 . 1 1 2 2 VAL CB C 2 31.900 31.900 32.703 -0.802 18222 5380 1 13 . 1 1 2 2 VAL H H 2 8.010 8.010 8.246 -0.236 18222 5381 1 13 . 1 1 3 3 ASN N N 3 122.520 122.520 123.030 -0.510 18222 5382 1 13 . 1 1 3 3 ASN HA H 3 4.020 4.020 4.671 -0.651 18222 5383 1 13 . 1 1 3 3 ASN CA C 3 52.640 52.640 53.514 -0.874 18222 5384 1 13 . 1 1 3 3 ASN CB C 3 38.330 38.330 38.716 -0.386 18222 5385 1 13 . 1 1 3 3 ASN H H 3 8.360 8.360 8.680 -0.320 18222 5386 1 13 . 1 1 4 4 LEU N N 4 123.830 123.830 121.655 2.175 18222 5387 1 13 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.257 -0.037 18222 5388 1 13 . 1 1 4 4 LEU CA C 4 54.620 54.620 56.336 -1.716 18222 5389 1 13 . 1 1 4 4 LEU CB C 4 41.680 41.680 42.479 -0.799 18222 5390 1 13 . 1 1 4 4 LEU H H 4 8.220 8.220 8.181 0.039 18222 5391 1 13 . 1 1 5 5 GLY N N 5 106.810 106.810 105.735 1.075 18222 5392 1 13 . 1 1 5 5 GLY CA C 5 45.800 45.800 44.376 1.424 18222 5393 1 13 . 1 1 5 5 GLY H H 5 8.030 8.030 7.974 0.056 18222 5394 1 13 . 1 1 6 6 LEU N N 6 120.820 120.820 121.423 -0.603 18222 5395 1 13 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.535 -0.485 18222 5396 1 13 . 1 1 6 6 LEU CA C 6 55.990 55.990 56.532 -0.541 18222 5397 1 13 . 1 1 6 6 LEU CB C 6 40.800 40.800 42.519 -1.719 18222 5398 1 13 . 1 1 6 6 LEU H H 6 8.030 8.030 8.185 -0.155 18222 5399 1 13 . 1 1 7 7 SER N N 7 115.540 115.540 115.529 0.011 18222 5400 1 13 . 1 1 7 7 SER HA H 7 4.100 4.100 4.208 -0.108 18222 5401 1 13 . 1 1 7 7 SER CA C 7 60.580 60.580 61.478 -0.898 18222 5402 1 13 . 1 1 7 7 SER CB C 7 62.060 62.060 62.844 -0.784 18222 5403 1 13 . 1 1 7 7 SER H H 7 8.360 8.360 8.261 0.099 18222 5404 1 13 . 1 1 8 8 ARG N N 8 120.690 120.690 120.853 -0.163 18222 5405 1 13 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.104 0.056 18222 5406 1 13 . 1 1 8 8 ARG CA C 8 57.350 57.350 59.292 -1.942 18222 5407 1 13 . 1 1 8 8 ARG CB C 8 29.230 29.230 30.178 -0.948 18222 5408 1 13 . 1 1 8 8 ARG H H 8 7.830 7.830 8.427 -0.597 18222 5409 1 13 . 1 1 9 9 VAL N N 9 119.330 119.330 120.180 -0.850 18222 5410 1 13 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.574 0.596 18222 5411 1 13 . 1 1 9 9 VAL CA C 9 64.720 64.720 66.718 -1.998 18222 5412 1 13 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.573 -0.673 18222 5413 1 13 . 1 1 9 9 VAL H H 9 7.620 7.620 7.509 0.111 18222 5414 1 13 . 1 1 10 10 ASP N N 10 119.520 119.520 119.931 -0.411 18222 5415 1 13 . 1 1 10 10 ASP CA C 10 54.960 54.960 57.798 -2.838 18222 5416 1 13 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.618 -2.818 18222 5417 1 13 . 1 1 10 10 ASP H H 10 8.180 8.180 8.369 -0.189 18222 5418 1 13 . 1 1 11 11 ASP N N 11 121.550 121.550 120.827 0.723 18222 5419 1 13 . 1 1 11 11 ASP CA C 11 54.440 54.440 57.663 -3.224 18222 5420 1 13 . 1 1 11 11 ASP CB C 11 37.840 37.840 40.813 -2.973 18222 5421 1 13 . 1 1 11 11 ASP H H 11 7.950 7.950 8.027 -0.077 18222 5422 1 13 . 1 1 12 12 ALA N N 12 120.220 120.220 122.904 -2.684 18222 5423 1 13 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.197 -0.827 18222 5424 1 13 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.574 6.156 18222 5425 1 13 . 1 1 12 12 ALA H H 12 8.090 8.090 8.054 0.036 18222 5426 1 13 . 1 1 13 13 VAL N N 13 116.910 116.910 118.572 -1.662 18222 5427 1 13 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.720 0.420 18222 5428 1 13 . 1 1 13 13 VAL CA C 13 64.900 64.900 64.952 -0.052 18222 5429 1 13 . 1 1 13 13 VAL CB C 13 31.000 31.000 31.620 -0.621 18222 5430 1 13 . 1 1 13 13 VAL H H 13 7.980 7.980 8.111 -0.131 18222 5431 1 13 . 1 1 14 14 ALA N N 14 122.200 122.200 122.802 -0.602 18222 5432 1 13 . 1 1 14 14 ALA HA H 14 4.020 4.020 4.044 -0.024 18222 5433 1 13 . 1 1 14 14 ALA CA C 14 53.800 53.800 55.168 -1.368 18222 5434 1 13 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.183 -0.393 18222 5435 1 13 . 1 1 14 14 ALA H H 14 8.030 8.030 7.775 0.255 18222 5436 1 13 . 1 1 15 15 ALA N N 15 118.600 118.600 119.081 -0.481 18222 5437 1 13 . 1 1 15 15 ALA CA C 15 53.230 53.230 54.107 -0.877 18222 5438 1 13 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.626 -0.616 18222 5439 1 13 . 1 1 15 15 ALA H H 15 7.530 7.530 7.924 -0.394 18222 5440 1 13 . 1 1 16 16 LYS N N 16 115.820 115.820 118.354 -2.534 18222 5441 1 13 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.191 -0.111 18222 5442 1 13 . 1 1 16 16 LYS CA C 16 55.670 55.670 56.969 -1.299 18222 5443 1 13 . 1 1 16 16 LYS CB C 16 32.640 32.640 33.324 -0.684 18222 5444 1 13 . 1 1 16 16 LYS H H 16 7.490 7.490 7.759 -0.269 18222 5445 1 13 . 1 1 17 17 HIS N N 17 116.790 116.790 120.579 -3.789 18222 5446 1 13 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.795 -0.695 18222 5447 1 13 . 1 1 17 17 HIS CA C 17 52.820 52.820 53.598 -0.778 18222 5448 1 13 . 1 1 17 17 HIS CB C 17 28.400 28.400 30.594 -2.194 18222 5449 1 13 . 1 1 17 17 HIS H H 17 8.130 8.130 8.196 -0.066 18222 5450 1 13 . 1 1 18 18 PRO CA C 18 63.800 63.800 62.941 0.859 18222 5451 1 13 . 1 1 18 18 PRO CB C 18 30.800 30.800 31.153 -0.353 18222 5452 1 13 . 1 1 19 19 GLY N N 19 110.260 110.260 109.945 0.315 18222 5453 1 13 . 1 1 19 19 GLY CA C 19 45.490 45.490 46.084 -0.594 18222 5454 1 13 . 1 1 19 19 GLY H H 19 8.730 8.730 8.020 0.710 18222 5455 1 13 . 1 1 20 20 LEU N N 20 122.650 122.650 124.223 -1.573 18222 5456 1 13 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.335 -0.245 18222 5457 1 13 . 1 1 20 20 LEU CA C 20 57.060 57.060 57.272 -0.212 18222 5458 1 13 . 1 1 20 20 LEU H H 20 7.980 7.980 8.231 -0.251 18222 5459 1 13 . 1 1 21 21 GLY N N 21 107.000 107.000 106.368 0.632 18222 5460 1 13 . 1 1 21 21 GLY CA C 21 46.710 46.710 47.170 -0.460 18222 5461 1 13 . 1 1 21 21 GLY H H 21 8.570 8.570 8.720 -0.150 18222 5462 1 13 . 1 1 22 22 GLU N N 22 121.610 121.610 121.156 0.454 18222 5463 1 13 . 1 1 22 22 GLU HA H 22 3.990 3.990 3.878 0.112 18222 5464 1 13 . 1 1 22 22 GLU CA C 22 58.280 58.280 59.257 -0.977 18222 5465 1 13 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.470 -1.460 18222 5466 1 13 . 1 1 22 22 GLU H H 22 8.100 8.100 8.511 -0.411 18222 5467 1 13 . 1 1 23 23 TYR N N 23 120.870 120.870 120.117 0.753 18222 5468 1 13 . 1 1 23 23 TYR CA C 23 60.380 60.380 61.098 -0.718 18222 5469 1 13 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.425 -0.674 18222 5470 1 13 . 1 1 23 23 TYR H H 23 7.910 7.910 7.441 0.469 18222 5471 1 13 . 1 1 24 24 ALA N N 24 121.420 121.420 121.352 0.068 18222 5472 1 13 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.036 0.104 18222 5473 1 13 . 1 1 24 24 ALA CA C 24 54.260 54.260 55.254 -0.994 18222 5474 1 13 . 1 1 24 24 ALA H H 24 8.410 8.410 8.695 -0.285 18222 5475 1 13 . 1 1 25 25 ALA N N 25 120.220 120.220 120.844 -0.624 18222 5476 1 13 . 1 1 25 25 ALA CA C 25 54.370 54.370 54.842 -0.472 18222 5477 1 13 . 1 1 25 25 ALA H H 25 8.090 8.090 8.247 -0.157 18222 5478 1 13 . 1 1 26 26 CYS N N 26 116.760 116.760 117.207 -0.447 18222 5479 1 13 . 1 1 26 26 CYS CA C 26 61.180 61.180 62.461 -1.281 18222 5480 1 13 . 1 1 26 26 CYS CB C 26 26.390 26.390 27.406 -1.016 18222 5481 1 13 . 1 1 26 26 CYS H H 26 7.950 7.950 8.004 -0.054 18222 5482 1 13 . 1 1 27 27 GLN N N 27 118.690 118.690 120.410 -1.720 18222 5483 1 13 . 1 1 27 27 GLN CA C 27 55.970 55.970 59.121 -3.151 18222 5484 1 13 . 1 1 27 27 GLN H H 27 8.060 8.060 8.264 -0.204 18222 5485 1 13 . 1 1 28 28 SER N N 28 115.490 115.490 115.351 0.139 18222 5486 1 13 . 1 1 28 28 SER HA H 28 3.990 3.990 4.270 -0.280 18222 5487 1 13 . 1 1 28 28 SER CA C 28 61.110 61.110 61.778 -0.668 18222 5488 1 13 . 1 1 28 28 SER H H 28 7.980 7.980 8.519 -0.539 18222 5489 1 13 . 1 1 29 29 HIS N N 29 120.880 120.880 120.811 0.069 18222 5490 1 13 . 1 1 29 29 HIS CA C 29 58.190 58.190 60.109 -1.919 18222 5491 1 13 . 1 1 29 29 HIS CB C 29 27.460 27.460 30.323 -2.863 18222 5492 1 13 . 1 1 29 29 HIS H H 29 8.180 8.180 8.550 -0.370 18222 5493 1 13 . 1 1 30 30 ALA N N 30 122.920 122.920 122.578 0.342 18222 5494 1 13 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.346 -0.786 18222 5495 1 13 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.224 -0.734 18222 5496 1 13 . 1 1 30 30 ALA H H 30 8.040 8.040 8.163 -0.123 18222 5497 1 13 . 1 1 31 31 PHE N N 31 119.340 119.340 119.520 -0.180 18222 5498 1 13 . 1 1 31 31 PHE CA C 31 60.370 60.370 62.384 -2.014 18222 5499 1 13 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.408 -0.888 18222 5500 1 13 . 1 1 31 31 PHE H H 31 8.230 8.230 8.379 -0.149 18222 5501 1 13 . 1 1 32 32 MET N N 32 118.110 118.110 118.431 -0.321 18222 5502 1 13 . 1 1 32 32 MET HA H 32 4.050 4.050 4.141 -0.091 18222 5503 1 13 . 1 1 32 32 MET CA C 32 58.280 58.280 58.723 -0.443 18222 5504 1 13 . 1 1 32 32 MET CB C 32 31.090 31.090 32.175 -1.085 18222 5505 1 13 . 1 1 32 32 MET H H 32 8.120 8.120 8.544 -0.424 18222 5506 1 13 . 1 1 33 33 LYS N N 33 119.040 119.040 120.003 -0.963 18222 5507 1 13 . 1 1 33 33 LYS HA H 33 3.930 3.930 4.082 -0.152 18222 5508 1 13 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.790 -0.750 18222 5509 1 13 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.429 -1.439 18222 5510 1 13 . 1 1 33 33 LYS H H 33 7.970 7.970 8.452 -0.482 18222 5511 1 13 . 1 1 34 34 GLY N N 34 108.840 108.840 107.380 1.460 18222 5512 1 13 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.123 -0.513 18222 5513 1 13 . 1 1 34 34 GLY H H 34 8.030 8.030 8.151 -0.121 18222 5514 1 13 . 1 1 35 35 VAL N N 35 122.910 122.910 122.239 0.671 18222 5515 1 13 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.582 0.638 18222 5516 1 13 . 1 1 35 35 VAL CA C 35 66.310 66.310 66.596 -0.286 18222 5517 1 13 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.867 -1.307 18222 5518 1 13 . 1 1 35 35 VAL H H 35 8.090 8.090 8.355 -0.265 18222 5519 1 13 . 1 1 36 36 PHE N N 36 120.020 120.020 121.319 -1.299 18222 5520 1 13 . 1 1 36 36 PHE CA C 36 61.350 61.350 61.908 -0.558 18222 5521 1 13 . 1 1 36 36 PHE CB C 36 38.090 38.090 39.016 -0.926 18222 5522 1 13 . 1 1 36 36 PHE H H 36 8.350 8.350 8.111 0.239 18222 5523 1 13 . 1 1 37 37 THR N N 37 116.980 116.980 115.584 1.396 18222 5524 1 13 . 1 1 37 37 THR HA H 37 4.050 4.050 3.952 0.098 18222 5525 1 13 . 1 1 37 37 THR CA C 37 66.000 66.000 66.052 -0.052 18222 5526 1 13 . 1 1 37 37 THR CB C 37 68.270 68.270 68.951 -0.682 18222 5527 1 13 . 1 1 37 37 THR H H 37 8.520 8.520 8.562 -0.042 18222 5528 1 13 . 1 1 38 38 PHE N N 38 123.090 123.090 119.978 3.112 18222 5529 1 13 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.279 0.081 18222 5530 1 13 . 1 1 38 38 PHE CA C 38 61.140 61.140 60.749 0.391 18222 5531 1 13 . 1 1 38 38 PHE CB C 38 41.200 41.200 38.739 2.461 18222 5532 1 13 . 1 1 38 38 PHE H H 38 8.010 8.010 8.251 -0.241 18222 5533 1 13 . 1 1 39 39 VAL N N 39 117.280 117.280 119.420 -2.140 18222 5534 1 13 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.774 0.436 18222 5535 1 13 . 1 1 39 39 VAL CA C 39 66.000 66.000 65.628 0.372 18222 5536 1 13 . 1 1 39 39 VAL CB C 39 30.860 30.860 30.669 0.191 18222 5537 1 13 . 1 1 39 39 VAL H H 39 8.530 8.530 8.555 -0.025 18222 5538 1 13 . 1 1 40 40 THR N N 40 109.470 109.470 115.144 -5.674 18222 5539 1 13 . 1 1 40 40 THR HA H 40 4.060 4.060 3.956 0.104 18222 5540 1 13 . 1 1 40 40 THR CA C 40 63.390 63.390 66.253 -2.863 18222 5541 1 13 . 1 1 40 40 THR CB C 40 68.650 68.650 68.177 0.473 18222 5542 1 13 . 1 1 40 40 THR H H 40 7.700 7.700 7.851 -0.151 18222 5543 1 13 . 1 1 41 41 GLY N N 41 110.770 110.770 106.446 4.324 18222 5544 1 13 . 1 1 41 41 GLY CA C 41 45.580 45.580 44.998 0.583 18222 5545 1 13 . 1 1 41 41 GLY H H 41 7.700 7.700 7.315 0.385 18222 5546 1 13 . 1 1 42 42 THR N N 42 114.520 114.520 118.218 -3.698 18222 5547 1 13 . 1 1 42 42 THR CA C 42 63.300 63.300 60.512 2.788 18222 5548 1 13 . 1 1 42 42 THR CB C 42 69.490 69.490 66.968 2.522 18222 5549 1 13 . 1 1 42 42 THR H H 42 7.720 7.720 8.121 -0.401 18222 5550 1 13 . 1 1 43 43 GLY N N 43 109.540 109.540 109.735 -0.195 18222 5551 1 13 . 1 1 43 43 GLY CA C 43 46.250 46.250 46.577 -0.327 18222 5552 1 13 . 1 1 43 43 GLY H H 43 8.110 8.110 7.821 0.289 18222 5553 1 13 . 1 1 44 44 MET N N 44 120.240 120.240 120.944 -0.704 18222 5554 1 13 . 1 1 44 44 MET HA H 44 4.100 4.100 4.001 0.099 18222 5555 1 13 . 1 1 44 44 MET CA C 44 57.700 57.700 59.017 -1.317 18222 5556 1 13 . 1 1 44 44 MET CB C 44 32.030 32.030 32.410 -0.380 18222 5557 1 13 . 1 1 44 44 MET H H 44 7.730 7.730 8.298 -0.568 18222 5558 1 13 . 1 1 45 45 ALA N N 45 121.560 121.560 121.555 0.005 18222 5559 1 13 . 1 1 45 45 ALA CA C 45 54.440 54.440 55.004 -0.564 18222 5560 1 13 . 1 1 45 45 ALA CB C 45 17.400 17.400 17.752 -0.352 18222 5561 1 13 . 1 1 45 45 ALA H H 45 7.950 7.950 7.656 0.294 18222 5562 1 13 . 1 1 46 46 PHE N N 46 118.260 118.260 119.102 -0.842 18222 5563 1 13 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.161 -0.231 18222 5564 1 13 . 1 1 46 46 PHE CA C 46 59.820 59.820 61.177 -1.357 18222 5565 1 13 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.480 -0.220 18222 5566 1 13 . 1 1 46 46 PHE H H 46 7.860 7.860 8.188 -0.328 18222 5567 1 13 . 1 1 47 47 GLY N N 47 107.300 107.300 108.320 -1.020 18222 5568 1 13 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.185 -0.625 18222 5569 1 13 . 1 1 47 47 GLY H H 47 8.200 8.200 8.400 -0.200 18222 5570 1 13 . 1 1 48 48 LEU N N 48 121.920 121.920 122.877 -0.957 18222 5571 1 13 . 1 1 48 48 LEU HA H 48 4.040 4.040 4.048 -0.008 18222 5572 1 13 . 1 1 48 48 LEU CA C 48 57.580 57.580 58.060 -0.480 18222 5573 1 13 . 1 1 48 48 LEU CB C 48 40.790 40.790 41.965 -1.175 18222 5574 1 13 . 1 1 48 48 LEU H H 48 8.180 8.180 8.291 -0.111 18222 5575 1 13 . 1 1 49 49 GLN N N 49 118.270 118.270 117.686 0.584 18222 5576 1 13 . 1 1 49 49 GLN HA H 49 3.830 3.830 4.034 -0.204 18222 5577 1 13 . 1 1 49 49 GLN CA C 49 58.880 58.880 59.161 -0.281 18222 5578 1 13 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.308 -1.068 18222 5579 1 13 . 1 1 49 49 GLN H H 49 8.080 8.080 8.389 -0.309 18222 5580 1 13 . 1 1 50 50 MET N N 50 117.630 117.630 120.267 -2.637 18222 5581 1 13 . 1 1 50 50 MET HA H 50 4.010 4.010 4.300 -0.290 18222 5582 1 13 . 1 1 50 50 MET CA C 50 57.730 57.730 58.685 -0.955 18222 5583 1 13 . 1 1 50 50 MET CB C 50 27.160 27.160 32.564 -5.404 18222 5584 1 13 . 1 1 50 50 MET H H 50 7.880 7.880 8.289 -0.409 18222 5585 1 13 . 1 1 51 51 PHE N N 51 119.550 119.550 119.927 -0.377 18222 5586 1 13 . 1 1 51 51 PHE CA C 51 60.850 60.850 61.537 -0.687 18222 5587 1 13 . 1 1 51 51 PHE CB C 51 38.720 38.720 39.499 -0.779 18222 5588 1 13 . 1 1 51 51 PHE H H 51 7.890 7.890 8.147 -0.257 18222 5589 1 13 . 1 1 52 52 ILE N N 52 117.950 117.950 117.407 0.543 18222 5590 1 13 . 1 1 52 52 ILE HA H 52 4.050 4.050 3.924 0.126 18222 5591 1 13 . 1 1 52 52 ILE CA C 52 63.560 63.560 64.569 -1.009 18222 5592 1 13 . 1 1 52 52 ILE CB C 52 36.810 36.810 37.920 -1.110 18222 5593 1 13 . 1 1 52 52 ILE H H 52 8.110 8.110 8.493 -0.383 18222 5594 1 13 . 1 1 53 53 GLN N N 53 117.360 117.360 119.996 -2.636 18222 5595 1 13 . 1 1 53 53 GLN CA C 53 57.200 57.200 58.397 -1.197 18222 5596 1 13 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.114 -0.244 18222 5597 1 13 . 1 1 53 53 GLN H H 53 7.930 7.930 8.645 -0.715 18222 5598 1 13 . 1 1 54 54 ARG N N 54 116.840 116.840 119.174 -2.334 18222 5599 1 13 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.138 -0.188 18222 5600 1 13 . 1 1 54 54 ARG CA C 54 56.480 56.480 58.216 -1.736 18222 5601 1 13 . 1 1 54 54 ARG CB C 54 28.970 28.970 29.764 -0.794 18222 5602 1 13 . 1 1 54 54 ARG H H 54 7.540 7.540 7.934 -0.394 18222 5603 1 13 . 1 1 55 55 LYS N N 55 117.900 117.900 117.451 0.449 18222 5604 1 13 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.186 -0.106 18222 5605 1 13 . 1 1 55 55 LYS CA C 55 55.030 55.030 57.118 -2.088 18222 5606 1 13 . 1 1 55 55 LYS CB C 55 32.010 32.010 33.240 -1.230 18222 5607 1 13 . 1 1 55 55 LYS H H 55 7.660 7.660 7.392 0.268 18222 5608 1 13 . 1 1 56 56 PHE N N 56 121.060 121.060 120.394 0.666 18222 5609 1 13 . 1 1 56 56 PHE CA C 56 55.190 55.190 55.355 -0.165 18222 5610 1 13 . 1 1 56 56 PHE CB C 56 38.970 38.970 39.816 -0.846 18222 5611 1 13 . 1 1 56 56 PHE H H 56 8.080 8.080 8.169 -0.089 18222 5612 1 13 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.700 -1.310 18222 5613 1 13 . 1 1 57 57 PRO CB C 57 30.580 30.580 31.948 -1.368 18222 5614 1 13 . 1 1 58 58 TYR N N 58 120.240 120.240 120.117 0.123 18222 5615 1 13 . 1 1 58 58 TYR CA C 58 55.770 55.770 54.979 0.791 18222 5616 1 13 . 1 1 58 58 TYR CB C 58 40.220 40.220 39.128 1.092 18222 5617 1 13 . 1 1 58 58 TYR H H 58 7.700 7.700 7.944 -0.244 18222 5618 1 13 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.751 -1.621 18222 5619 1 13 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.263 1.077 18222 5620 1 13 . 1 1 60 60 LEU N N 60 122.210 122.210 119.238 2.972 18222 5621 1 13 . 1 1 60 60 LEU CA C 60 54.250 54.250 53.534 0.716 18222 5622 1 13 . 1 1 60 60 LEU CB C 60 41.470 41.470 44.196 -2.726 18222 5623 1 13 . 1 1 60 60 LEU H H 60 7.880 7.880 7.589 0.291 18222 5624 1 13 . 1 1 61 61 GLN N N 61 122.470 122.470 121.359 1.111 18222 5625 1 13 . 1 1 61 61 GLN CA C 61 54.170 54.170 54.909 -0.739 18222 5626 1 13 . 1 1 61 61 GLN H H 61 7.970 7.970 8.359 -0.389 18222 5627 1 13 . 1 1 62 62 TRP N N 62 124.590 124.590 126.140 -1.550 18222 5628 1 13 . 1 1 62 62 TRP CA C 62 59.830 59.830 60.983 -1.153 18222 5629 1 13 . 1 1 62 62 TRP CB C 62 28.800 28.800 28.769 0.031 18222 5630 1 13 . 1 1 62 62 TRP H H 62 8.240 8.240 8.623 -0.383 18222 5631 1 13 . 1 1 63 63 SER N N 63 113.320 113.320 113.845 -0.525 18222 5632 1 13 . 1 1 63 63 SER CA C 63 61.100 61.100 62.236 -1.135 18222 5633 1 13 . 1 1 63 63 SER H H 63 8.410 8.410 8.327 0.083 18222 5634 1 13 . 1 1 64 64 LEU N N 64 123.230 123.230 122.273 0.957 18222 5635 1 13 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.990 -1.110 18222 5636 1 13 . 1 1 64 64 LEU CB C 64 40.830 40.830 42.061 -1.231 18222 5637 1 13 . 1 1 64 64 LEU H H 64 7.230 7.230 7.816 -0.586 18222 5638 1 13 . 1 1 65 65 LEU N N 65 119.400 119.400 120.120 -0.720 18222 5639 1 13 . 1 1 65 65 LEU HA H 65 3.890 3.890 4.027 -0.137 18222 5640 1 13 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.400 -0.820 18222 5641 1 13 . 1 1 65 65 LEU CB C 65 40.710 40.710 41.968 -1.258 18222 5642 1 13 . 1 1 65 65 LEU H H 65 7.510 7.510 8.860 -1.349 18222 5643 1 13 . 1 1 66 66 VAL N N 66 116.950 116.950 119.464 -2.514 18222 5644 1 13 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.729 0.231 18222 5645 1 13 . 1 1 66 66 VAL CA C 66 66.260 66.260 65.985 0.275 18222 5646 1 13 . 1 1 66 66 VAL CB C 66 30.570 30.570 30.917 -0.347 18222 5647 1 13 . 1 1 66 66 VAL H H 66 7.950 7.950 8.182 -0.232 18222 5648 1 13 . 1 1 67 67 ALA N N 67 120.650 120.650 122.925 -2.275 18222 5649 1 13 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.121 -0.121 18222 5650 1 13 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.374 -0.594 18222 5651 1 13 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.319 -0.879 18222 5652 1 13 . 1 1 67 67 ALA H H 67 7.450 7.450 8.270 -0.820 18222 5653 1 13 . 1 1 68 68 VAL N N 68 118.440 118.440 118.567 -0.127 18222 5654 1 13 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.751 -0.001 18222 5655 1 13 . 1 1 68 68 VAL CA C 68 65.250 65.250 66.226 -0.976 18222 5656 1 13 . 1 1 68 68 VAL CB C 68 30.850 30.850 31.638 -0.788 18222 5657 1 13 . 1 1 68 68 VAL H H 68 7.960 7.960 8.036 -0.076 18222 5658 1 13 . 1 1 69 69 VAL N N 69 120.800 120.800 120.887 -0.087 18222 5659 1 13 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.709 0.511 18222 5660 1 13 . 1 1 69 69 VAL CA C 69 66.020 66.020 66.318 -0.298 18222 5661 1 13 . 1 1 69 69 VAL CB C 69 30.850 30.850 30.635 0.215 18222 5662 1 13 . 1 1 69 69 VAL H H 69 8.080 8.080 8.578 -0.498 18222 5663 1 13 . 1 1 70 70 ALA N N 70 121.740 121.740 120.821 0.919 18222 5664 1 13 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.217 -0.297 18222 5665 1 13 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.368 -0.448 18222 5666 1 13 . 1 1 70 70 ALA CB C 70 17.620 17.620 18.144 -0.524 18222 5667 1 13 . 1 1 70 70 ALA H H 70 8.660 8.660 8.601 0.059 18222 5668 1 13 . 1 1 71 71 GLY N N 71 103.450 103.450 106.953 -3.503 18222 5669 1 13 . 1 1 71 71 GLY CA C 71 46.300 46.300 47.020 -0.720 18222 5670 1 13 . 1 1 71 71 GLY H H 71 8.010 8.010 8.147 -0.137 18222 5671 1 13 . 1 1 72 72 SER N N 72 118.160 118.160 118.302 -0.142 18222 5672 1 13 . 1 1 72 72 SER CA C 72 61.260 61.260 61.547 -0.288 18222 5673 1 13 . 1 1 72 72 SER CB C 72 62.870 62.870 63.003 -0.133 18222 5674 1 13 . 1 1 72 72 SER H H 72 7.870 7.870 8.115 -0.245 18222 5675 1 13 . 1 1 73 73 VAL N N 73 121.340 121.340 121.854 -0.514 18222 5676 1 13 . 1 1 73 73 VAL CA C 73 65.750 65.750 66.185 -0.435 18222 5677 1 13 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.140 -0.400 18222 5678 1 13 . 1 1 73 73 VAL H H 73 8.050 8.050 8.260 -0.210 18222 5679 1 13 . 1 1 74 74 VAL N N 74 118.680 118.680 119.350 -0.670 18222 5680 1 13 . 1 1 74 74 VAL CA C 74 65.770 65.770 66.014 -0.244 18222 5681 1 13 . 1 1 74 74 VAL CB C 74 30.740 30.740 30.857 -0.117 18222 5682 1 13 . 1 1 74 74 VAL H H 74 7.880 7.880 8.477 -0.597 18222 5683 1 13 . 1 1 75 75 SER N N 75 114.750 114.750 116.357 -1.607 18222 5684 1 13 . 1 1 75 75 SER HA H 75 4.100 4.100 4.202 -0.102 18222 5685 1 13 . 1 1 75 75 SER CA C 75 60.870 60.870 61.836 -0.966 18222 5686 1 13 . 1 1 75 75 SER CB C 75 62.340 62.340 63.006 -0.666 18222 5687 1 13 . 1 1 75 75 SER H H 75 7.870 7.870 7.983 -0.113 18222 5688 1 13 . 1 1 76 76 TYR N N 76 121.110 121.110 122.600 -1.490 18222 5689 1 13 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.593 -1.543 18222 5690 1 13 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.582 -0.602 18222 5691 1 13 . 1 1 76 76 TYR H H 76 7.860 7.860 8.501 -0.641 18222 5692 1 13 . 1 1 77 77 GLY N N 77 107.300 107.300 106.367 0.933 18222 5693 1 13 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.404 -0.844 18222 5694 1 13 . 1 1 77 77 GLY H H 77 8.200 8.200 8.454 -0.254 18222 5695 1 13 . 1 1 78 78 VAL N N 78 119.470 119.470 117.631 1.839 18222 5696 1 13 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.874 0.296 18222 5697 1 13 . 1 1 78 78 VAL CA C 78 64.650 64.650 66.109 -1.459 18222 5698 1 13 . 1 1 78 78 VAL H H 78 8.140 8.140 8.479 -0.339 18222 5699 1 13 . 1 1 79 79 THR N N 79 112.100 112.100 117.763 -5.663 18222 5700 1 13 . 1 1 79 79 THR CA C 79 63.460 63.460 66.901 -3.442 18222 5701 1 13 . 1 1 79 79 THR CB C 79 68.650 68.650 68.367 0.283 18222 5702 1 13 . 1 1 79 79 THR H H 79 7.640 7.640 7.966 -0.326 18222 5703 1 13 . 1 1 80 80 ARG N N 80 120.770 120.770 122.770 -2.000 18222 5704 1 13 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.079 0.081 18222 5705 1 13 . 1 1 80 80 ARG CA C 80 56.790 56.790 59.771 -2.981 18222 5706 1 13 . 1 1 80 80 ARG CB C 80 29.430 29.430 30.307 -0.877 18222 5707 1 13 . 1 1 80 80 ARG H H 80 7.680 7.680 8.126 -0.446 18222 5708 1 13 . 1 1 81 81 VAL N N 81 118.370 118.370 119.490 -1.120 18222 5709 1 13 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.712 0.208 18222 5710 1 13 . 1 1 81 81 VAL CA C 81 63.340 63.340 66.517 -3.177 18222 5711 1 13 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.285 -0.025 18222 5712 1 13 . 1 1 81 81 VAL H H 81 7.730 7.730 8.273 -0.543 18222 5713 1 13 . 1 1 82 82 GLU N N 82 120.620 120.620 119.646 0.974 18222 5714 1 13 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.602 -3.282 18222 5715 1 13 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.359 -1.429 18222 5716 1 13 . 1 1 82 82 GLU H H 82 7.920 7.920 8.492 -0.572 18222 5717 1 13 . 1 1 83 83 SER N N 83 116.240 116.240 115.903 0.337 18222 5718 1 13 . 1 1 83 83 SER CA C 83 59.250 59.250 61.315 -2.065 18222 5719 1 13 . 1 1 83 83 SER CB C 83 63.160 63.160 62.598 0.562 18222 5720 1 13 . 1 1 83 83 SER H H 83 7.960 7.960 7.915 0.045 18222 5721 1 13 . 1 1 84 84 GLU N N 84 123.280 123.280 122.082 1.198 18222 5722 1 13 . 1 1 84 84 GLU HA H 84 4.080 4.080 3.942 0.138 18222 5723 1 13 . 1 1 84 84 GLU CA C 84 57.860 57.860 60.059 -2.199 18222 5724 1 13 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.559 -1.369 18222 5725 1 13 . 1 1 84 84 GLU H H 84 8.470 8.470 8.036 0.434 18222 5726 1 13 . 1 1 85 85 LYS N N 85 118.650 118.650 119.879 -1.229 18222 5727 1 13 . 1 1 85 85 LYS HA H 85 4.100 4.100 3.933 0.167 18222 5728 1 13 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.283 -1.503 18222 5729 1 13 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.356 -0.976 18222 5730 1 13 . 1 1 85 85 LYS H H 85 7.940 7.940 7.939 0.001 18222 5731 1 13 . 1 1 86 86 CYS N N 86 117.070 117.070 117.576 -0.506 18222 5732 1 13 . 1 1 86 86 CYS CA C 86 60.910 60.910 63.953 -3.043 18222 5733 1 13 . 1 1 86 86 CYS CB C 86 26.740 26.740 26.526 0.214 18222 5734 1 13 . 1 1 86 86 CYS H H 86 7.840 7.840 8.173 -0.333 18222 5735 1 13 . 1 1 87 87 ASN N N 87 119.370 119.370 117.901 1.469 18222 5736 1 13 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.378 -0.248 18222 5737 1 13 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.415 -0.665 18222 5738 1 13 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.323 -0.273 18222 5739 1 13 . 1 1 87 87 ASN H H 87 8.110 8.110 8.210 -0.100 18222 5740 1 13 . 1 1 88 88 ASN N N 88 117.570 117.570 119.074 -1.504 18222 5741 1 13 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.538 -0.258 18222 5742 1 13 . 1 1 88 88 ASN CA C 88 55.190 55.190 55.989 -0.799 18222 5743 1 13 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.376 -0.975 18222 5744 1 13 . 1 1 88 88 ASN H H 88 8.280 8.280 8.090 0.190 18222 5745 1 13 . 1 1 89 89 LEU N N 89 121.940 121.940 121.678 0.262 18222 5746 1 13 . 1 1 89 89 LEU HA H 89 4.070 4.070 3.908 0.162 18222 5747 1 13 . 1 1 89 89 LEU CA C 89 57.580 57.580 59.072 -1.492 18222 5748 1 13 . 1 1 89 89 LEU CB C 89 40.490 40.490 41.558 -1.068 18222 5749 1 13 . 1 1 89 89 LEU H H 89 7.790 7.790 8.242 -0.452 18222 5750 1 13 . 1 1 90 90 TRP N N 90 119.220 119.220 119.387 -0.167 18222 5751 1 13 . 1 1 90 90 TRP CA C 90 59.120 59.120 60.274 -1.154 18222 5752 1 13 . 1 1 90 90 TRP CB C 90 28.800 28.800 28.594 0.206 18222 5753 1 13 . 1 1 90 90 TRP H H 90 7.850 7.850 8.180 -0.330 18222 5754 1 13 . 1 1 91 91 LEU N N 91 117.870 117.870 121.028 -3.158 18222 5755 1 13 . 1 1 91 91 LEU CA C 91 57.300 57.300 58.458 -1.158 18222 5756 1 13 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.853 -1.243 18222 5757 1 13 . 1 1 91 91 LEU H H 91 7.920 7.920 8.378 -0.458 18222 5758 1 13 . 1 1 92 92 PHE N N 92 121.280 121.280 118.916 2.364 18222 5759 1 13 . 1 1 92 92 PHE CA C 92 60.390 60.390 62.593 -2.203 18222 5760 1 13 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.778 -0.798 18222 5761 1 13 . 1 1 92 92 PHE H H 92 7.860 7.860 8.400 -0.540 18222 5762 1 13 . 1 1 93 93 LEU N N 93 119.860 119.860 119.772 0.088 18222 5763 1 13 . 1 1 93 93 LEU CA C 93 56.860 56.860 57.525 -0.665 18222 5764 1 13 . 1 1 93 93 LEU CB C 93 40.550 40.550 42.360 -1.810 18222 5765 1 13 . 1 1 93 93 LEU H H 93 7.980 7.980 8.832 -0.852 18222 5766 1 13 . 1 1 94 94 GLU N N 94 114.660 114.660 118.958 -4.298 18222 5767 1 13 . 1 1 94 94 GLU HA H 94 3.810 3.810 4.140 -0.330 18222 5768 1 13 . 1 1 94 94 GLU CA C 94 57.210 57.210 59.132 -1.922 18222 5769 1 13 . 1 1 94 94 GLU CB C 94 28.470 28.470 29.826 -1.356 18222 5770 1 13 . 1 1 94 94 GLU H H 94 7.890 7.890 8.040 -0.149 18222 5771 1 13 . 1 1 95 95 THR N N 95 108.260 108.260 111.215 -2.955 18222 5772 1 13 . 1 1 95 95 THR CA C 95 62.150 62.150 61.557 0.593 18222 5773 1 13 . 1 1 95 95 THR CB C 95 70.810 70.810 69.240 1.570 18222 5774 1 13 . 1 1 95 95 THR H H 95 7.690 7.690 7.592 0.098 18222 5775 1 13 . 1 1 96 96 GLY N N 96 112.220 112.220 108.894 3.326 18222 5776 1 13 . 1 1 96 96 GLY CA C 96 45.410 45.410 45.122 0.288 18222 5777 1 13 . 1 1 96 96 GLY H H 96 8.240 8.240 7.423 0.817 18222 5778 1 13 . 1 1 97 97 GLN N N 97 117.950 117.950 120.267 -2.317 18222 5779 1 13 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.332 -0.132 18222 5780 1 13 . 1 1 97 97 GLN CA C 97 54.430 54.430 55.659 -1.229 18222 5781 1 13 . 1 1 97 97 GLN CB C 97 29.910 29.910 29.780 0.130 18222 5782 1 13 . 1 1 97 97 GLN H H 97 7.640 7.640 8.377 -0.737 18222 5783 1 13 . 1 1 98 98 LEU N N 98 123.810 123.810 123.147 0.663 18222 5784 1 13 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.470 -0.110 18222 5785 1 13 . 1 1 98 98 LEU CA C 98 52.650 52.650 53.915 -1.265 18222 5786 1 13 . 1 1 98 98 LEU CB C 98 40.460 40.460 40.911 -0.451 18222 5787 1 13 . 1 1 98 98 LEU H H 98 8.270 8.270 8.293 -0.023 18222 5788 1 13 . 1 1 99 99 PRO CA C 99 63.180 63.180 62.460 0.720 18222 5789 1 13 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.331 -1.491 18222 5790 1 13 . 1 1 100 100 LYS N N 100 120.630 120.630 120.115 0.515 18222 5791 1 13 . 1 1 100 100 LYS CA C 100 55.730 55.730 56.164 -0.434 18222 5792 1 13 . 1 1 100 100 LYS CB C 100 32.280 32.280 33.983 -1.703 18222 5793 1 13 . 1 1 100 100 LYS H H 100 8.090 8.090 8.541 -0.451 18222 5794 1 13 . 1 1 101 101 ASP N N 101 120.920 120.920 123.673 -2.753 18222 5795 1 13 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.825 -0.635 18222 5796 1 13 . 1 1 101 101 ASP CA C 101 54.000 54.000 53.841 0.159 18222 5797 1 13 . 1 1 101 101 ASP CB C 101 40.330 40.330 42.779 -2.449 18222 5798 1 13 . 1 1 101 101 ASP H H 101 8.190 8.190 8.495 -0.305 18222 5799 1 13 . 1 1 102 102 ARG N N 102 122.210 122.210 122.607 -0.397 18222 5800 1 13 . 1 1 102 102 ARG CA C 102 55.590 55.590 55.898 -0.308 18222 5801 1 13 . 1 1 102 102 ARG CB C 102 29.630 29.630 31.755 -2.125 18222 5802 1 13 . 1 1 102 102 ARG H H 102 8.130 8.130 8.587 -0.457 18222 5803 1 13 . 1 1 103 103 SER N N 103 117.230 117.230 117.280 -0.050 18222 5804 1 13 . 1 1 103 103 SER HA H 103 4.280 4.280 4.803 -0.523 18222 5805 1 13 . 1 1 103 103 SER CA C 103 58.470 58.470 58.170 0.300 18222 5806 1 13 . 1 1 103 103 SER CB C 103 63.080 63.080 64.541 -1.461 18222 5807 1 13 . 1 1 103 103 SER H H 103 8.290 8.290 8.202 0.088 18222 5808 1 13 . 1 1 104 104 THR N N 104 115.430 115.430 115.256 0.174 18222 5809 1 13 . 1 1 104 104 THR CA C 104 61.570 61.570 61.808 -0.238 18222 5810 1 13 . 1 1 104 104 THR CB C 104 69.030 69.030 71.936 -2.906 18222 5811 1 13 . 1 1 104 104 THR H H 104 8.020 8.020 8.188 -0.168 18222 5812 1 13 . 1 1 105 105 ASP N N 105 122.780 122.780 120.069 2.711 18222 5813 1 13 . 1 1 105 105 ASP CA C 105 54.210 54.210 54.579 -0.369 18222 5814 1 13 . 1 1 105 105 ASP CB C 105 40.380 40.380 41.383 -1.004 18222 5815 1 13 . 1 1 105 105 ASP H H 105 8.120 8.120 8.606 -0.486 18222 5816 1 13 . 1 1 106 106 GLN N N 106 120.960 120.960 120.421 0.539 18222 5817 1 13 . 1 1 106 106 GLN CA C 106 55.420 55.420 56.213 -0.793 18222 5818 1 13 . 1 1 106 106 GLN CB C 106 28.310 28.310 29.780 -1.470 18222 5819 1 13 . 1 1 106 106 GLN H H 106 8.140 8.140 7.932 0.208 18222 5820 1 13 . 1 1 107 107 ARG N N 107 123.010 123.010 120.804 2.206 18222 5821 1 13 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.330 -0.120 18222 5822 1 13 . 1 1 107 107 ARG CA C 107 55.560 55.560 56.212 -0.652 18222 5823 1 13 . 1 1 107 107 ARG CB C 107 29.920 29.920 30.549 -0.629 18222 5824 1 13 . 1 1 107 107 ARG H H 107 8.180 8.180 8.759 -0.579 18222 5825 1 14 . 1 1 2 2 VAL N N 2 121.590 121.590 123.035 -1.445 18222 5826 1 14 . 1 1 2 2 VAL CA C 2 61.600 61.600 61.716 -0.116 18222 5827 1 14 . 1 1 2 2 VAL CB C 2 31.900 31.900 33.402 -1.502 18222 5828 1 14 . 1 1 2 2 VAL H H 2 8.010 8.010 7.917 0.093 18222 5829 1 14 . 1 1 3 3 ASN N N 3 122.520 122.520 123.116 -0.596 18222 5830 1 14 . 1 1 3 3 ASN HA H 3 4.020 4.020 4.721 -0.701 18222 5831 1 14 . 1 1 3 3 ASN CA C 3 52.640 52.640 54.667 -2.027 18222 5832 1 14 . 1 1 3 3 ASN CB C 3 38.330 38.330 39.119 -0.789 18222 5833 1 14 . 1 1 3 3 ASN H H 3 8.360 8.360 8.651 -0.291 18222 5834 1 14 . 1 1 4 4 LEU N N 4 123.830 123.830 120.265 3.565 18222 5835 1 14 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.499 -0.279 18222 5836 1 14 . 1 1 4 4 LEU CA C 4 54.620 54.620 55.245 -0.625 18222 5837 1 14 . 1 1 4 4 LEU CB C 4 41.680 41.680 42.701 -1.021 18222 5838 1 14 . 1 1 4 4 LEU H H 4 8.220 8.220 7.585 0.635 18222 5839 1 14 . 1 1 5 5 GLY N N 5 106.810 106.810 109.133 -2.323 18222 5840 1 14 . 1 1 5 5 GLY CA C 5 45.800 45.800 43.871 1.929 18222 5841 1 14 . 1 1 5 5 GLY H H 5 8.030 8.030 7.740 0.290 18222 5842 1 14 . 1 1 6 6 LEU N N 6 120.820 120.820 121.272 -0.452 18222 5843 1 14 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.118 -0.068 18222 5844 1 14 . 1 1 6 6 LEU CA C 6 55.990 55.990 58.123 -2.133 18222 5845 1 14 . 1 1 6 6 LEU CB C 6 40.800 40.800 41.847 -1.047 18222 5846 1 14 . 1 1 6 6 LEU H H 6 8.030 8.030 8.617 -0.587 18222 5847 1 14 . 1 1 7 7 SER N N 7 115.540 115.540 114.474 1.066 18222 5848 1 14 . 1 1 7 7 SER HA H 7 4.100 4.100 4.174 -0.074 18222 5849 1 14 . 1 1 7 7 SER CA C 7 60.580 60.580 61.389 -0.809 18222 5850 1 14 . 1 1 7 7 SER CB C 7 62.060 62.060 61.822 0.238 18222 5851 1 14 . 1 1 7 7 SER H H 7 8.360 8.360 8.309 0.051 18222 5852 1 14 . 1 1 8 8 ARG N N 8 120.690 120.690 122.591 -1.901 18222 5853 1 14 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.287 -0.127 18222 5854 1 14 . 1 1 8 8 ARG CA C 8 57.350 57.350 58.792 -1.442 18222 5855 1 14 . 1 1 8 8 ARG CB C 8 29.230 29.230 29.843 -0.613 18222 5856 1 14 . 1 1 8 8 ARG H H 8 7.830 7.830 8.115 -0.285 18222 5857 1 14 . 1 1 9 9 VAL N N 9 119.330 119.330 119.505 -0.175 18222 5858 1 14 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.711 0.459 18222 5859 1 14 . 1 1 9 9 VAL CA C 9 64.720 64.720 66.650 -1.930 18222 5860 1 14 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.038 -0.138 18222 5861 1 14 . 1 1 9 9 VAL H H 9 7.620 7.620 8.678 -1.058 18222 5862 1 14 . 1 1 10 10 ASP N N 10 119.520 119.520 120.640 -1.120 18222 5863 1 14 . 1 1 10 10 ASP CA C 10 54.960 54.960 57.605 -2.645 18222 5864 1 14 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.274 -2.474 18222 5865 1 14 . 1 1 10 10 ASP H H 10 8.180 8.180 8.435 -0.255 18222 5866 1 14 . 1 1 11 11 ASP N N 11 121.550 121.550 120.550 1.000 18222 5867 1 14 . 1 1 11 11 ASP CA C 11 54.440 54.440 57.009 -2.569 18222 5868 1 14 . 1 1 11 11 ASP CB C 11 37.840 37.840 40.392 -2.552 18222 5869 1 14 . 1 1 11 11 ASP H H 11 7.950 7.950 8.046 -0.096 18222 5870 1 14 . 1 1 12 12 ALA N N 12 120.220 120.220 123.367 -3.147 18222 5871 1 14 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.153 -0.783 18222 5872 1 14 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.530 6.200 18222 5873 1 14 . 1 1 12 12 ALA H H 12 8.090 8.090 8.098 -0.008 18222 5874 1 14 . 1 1 13 13 VAL N N 13 116.910 116.910 117.870 -0.960 18222 5875 1 14 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.700 0.440 18222 5876 1 14 . 1 1 13 13 VAL CA C 13 64.900 64.900 64.906 -0.006 18222 5877 1 14 . 1 1 13 13 VAL CB C 13 31.000 31.000 31.873 -0.873 18222 5878 1 14 . 1 1 13 13 VAL H H 13 7.980 7.980 8.078 -0.098 18222 5879 1 14 . 1 1 14 14 ALA N N 14 122.200 122.200 122.537 -0.337 18222 5880 1 14 . 1 1 14 14 ALA HA H 14 4.020 4.020 4.042 -0.022 18222 5881 1 14 . 1 1 14 14 ALA CA C 14 53.800 53.800 55.069 -1.269 18222 5882 1 14 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.099 -0.309 18222 5883 1 14 . 1 1 14 14 ALA H H 14 8.030 8.030 7.877 0.153 18222 5884 1 14 . 1 1 15 15 ALA N N 15 118.600 118.600 119.947 -1.347 18222 5885 1 14 . 1 1 15 15 ALA CA C 15 53.230 53.230 53.959 -0.729 18222 5886 1 14 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.542 -0.532 18222 5887 1 14 . 1 1 15 15 ALA H H 15 7.530 7.530 8.105 -0.576 18222 5888 1 14 . 1 1 16 16 LYS N N 16 115.820 115.820 116.116 -0.296 18222 5889 1 14 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.251 -0.171 18222 5890 1 14 . 1 1 16 16 LYS CA C 16 55.670 55.670 56.677 -1.007 18222 5891 1 14 . 1 1 16 16 LYS CB C 16 32.640 32.640 32.826 -0.186 18222 5892 1 14 . 1 1 16 16 LYS H H 16 7.490 7.490 7.392 0.098 18222 5893 1 14 . 1 1 17 17 HIS N N 17 116.790 116.790 119.365 -2.575 18222 5894 1 14 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.853 -0.753 18222 5895 1 14 . 1 1 17 17 HIS CA C 17 52.820 52.820 52.851 -0.031 18222 5896 1 14 . 1 1 17 17 HIS CB C 17 28.400 28.400 30.541 -2.141 18222 5897 1 14 . 1 1 17 17 HIS H H 17 8.130 8.130 7.585 0.545 18222 5898 1 14 . 1 1 18 18 PRO CA C 18 63.800 63.800 62.218 1.583 18222 5899 1 14 . 1 1 18 18 PRO CB C 18 30.800 30.800 32.736 -1.936 18222 5900 1 14 . 1 1 19 19 GLY N N 19 110.260 110.260 107.800 2.460 18222 5901 1 14 . 1 1 19 19 GLY CA C 19 45.490 45.490 44.930 0.560 18222 5902 1 14 . 1 1 19 19 GLY H H 19 8.730 8.730 8.299 0.431 18222 5903 1 14 . 1 1 20 20 LEU N N 20 122.650 122.650 125.313 -2.663 18222 5904 1 14 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.112 -0.022 18222 5905 1 14 . 1 1 20 20 LEU CA C 20 57.060 57.060 58.075 -1.015 18222 5906 1 14 . 1 1 20 20 LEU H H 20 7.980 7.980 8.631 -0.651 18222 5907 1 14 . 1 1 21 21 GLY N N 21 107.000 107.000 105.577 1.423 18222 5908 1 14 . 1 1 21 21 GLY CA C 21 46.710 46.710 47.396 -0.686 18222 5909 1 14 . 1 1 21 21 GLY H H 21 8.570 8.570 8.322 0.248 18222 5910 1 14 . 1 1 22 22 GLU N N 22 121.610 121.610 121.987 -0.377 18222 5911 1 14 . 1 1 22 22 GLU HA H 22 3.990 3.990 4.147 -0.157 18222 5912 1 14 . 1 1 22 22 GLU CA C 22 58.280 58.280 59.028 -0.748 18222 5913 1 14 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.414 -1.404 18222 5914 1 14 . 1 1 22 22 GLU H H 22 8.100 8.100 8.628 -0.528 18222 5915 1 14 . 1 1 23 23 TYR N N 23 120.870 120.870 121.277 -0.407 18222 5916 1 14 . 1 1 23 23 TYR CA C 23 60.380 60.380 61.166 -0.785 18222 5917 1 14 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.209 -0.459 18222 5918 1 14 . 1 1 23 23 TYR H H 23 7.910 7.910 8.986 -1.076 18222 5919 1 14 . 1 1 24 24 ALA N N 24 121.420 121.420 121.657 -0.237 18222 5920 1 14 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.546 0.594 18222 5921 1 14 . 1 1 24 24 ALA CA C 24 54.260 54.260 54.857 -0.597 18222 5922 1 14 . 1 1 24 24 ALA H H 24 8.410 8.410 8.251 0.159 18222 5923 1 14 . 1 1 25 25 ALA N N 25 120.220 120.220 121.426 -1.206 18222 5924 1 14 . 1 1 25 25 ALA CA C 25 54.370 54.370 55.301 -0.931 18222 5925 1 14 . 1 1 25 25 ALA H H 25 8.090 8.090 8.160 -0.070 18222 5926 1 14 . 1 1 26 26 CYS N N 26 116.760 116.760 116.476 0.284 18222 5927 1 14 . 1 1 26 26 CYS CA C 26 61.180 61.180 64.197 -3.017 18222 5928 1 14 . 1 1 26 26 CYS CB C 26 26.390 26.390 26.927 -0.537 18222 5929 1 14 . 1 1 26 26 CYS H H 26 7.950 7.950 8.566 -0.616 18222 5930 1 14 . 1 1 27 27 GLN N N 27 118.690 118.690 121.180 -2.490 18222 5931 1 14 . 1 1 27 27 GLN CA C 27 55.970 55.970 59.737 -3.767 18222 5932 1 14 . 1 1 27 27 GLN H H 27 8.060 8.060 8.226 -0.166 18222 5933 1 14 . 1 1 28 28 SER N N 28 115.490 115.490 115.842 -0.352 18222 5934 1 14 . 1 1 28 28 SER HA H 28 3.990 3.990 4.133 -0.143 18222 5935 1 14 . 1 1 28 28 SER CA C 28 61.110 61.110 62.187 -1.077 18222 5936 1 14 . 1 1 28 28 SER H H 28 7.980 7.980 8.419 -0.439 18222 5937 1 14 . 1 1 29 29 HIS N N 29 120.880 120.880 121.002 -0.122 18222 5938 1 14 . 1 1 29 29 HIS CA C 29 58.190 58.190 59.910 -1.720 18222 5939 1 14 . 1 1 29 29 HIS CB C 29 27.460 27.460 30.047 -2.587 18222 5940 1 14 . 1 1 29 29 HIS H H 29 8.180 8.180 8.320 -0.140 18222 5941 1 14 . 1 1 30 30 ALA N N 30 122.920 122.920 121.718 1.202 18222 5942 1 14 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.161 -0.601 18222 5943 1 14 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.330 -0.840 18222 5944 1 14 . 1 1 30 30 ALA H H 30 8.040 8.040 8.411 -0.371 18222 5945 1 14 . 1 1 31 31 PHE N N 31 119.340 119.340 119.930 -0.590 18222 5946 1 14 . 1 1 31 31 PHE CA C 31 60.370 60.370 61.549 -1.179 18222 5947 1 14 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.413 -0.893 18222 5948 1 14 . 1 1 31 31 PHE H H 31 8.230 8.230 8.712 -0.482 18222 5949 1 14 . 1 1 32 32 MET N N 32 118.110 118.110 120.394 -2.284 18222 5950 1 14 . 1 1 32 32 MET HA H 32 4.050 4.050 4.120 -0.070 18222 5951 1 14 . 1 1 32 32 MET CA C 32 58.280 58.280 59.505 -1.225 18222 5952 1 14 . 1 1 32 32 MET CB C 32 31.090 31.090 32.348 -1.258 18222 5953 1 14 . 1 1 32 32 MET H H 32 8.120 8.120 8.584 -0.464 18222 5954 1 14 . 1 1 33 33 LYS N N 33 119.040 119.040 119.505 -0.465 18222 5955 1 14 . 1 1 33 33 LYS HA H 33 3.930 3.930 4.123 -0.193 18222 5956 1 14 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.719 -0.679 18222 5957 1 14 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.640 -1.650 18222 5958 1 14 . 1 1 33 33 LYS H H 33 7.970 7.970 8.369 -0.399 18222 5959 1 14 . 1 1 34 34 GLY N N 34 108.840 108.840 107.932 0.908 18222 5960 1 14 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.197 -0.587 18222 5961 1 14 . 1 1 34 34 GLY H H 34 8.030 8.030 8.597 -0.567 18222 5962 1 14 . 1 1 35 35 VAL N N 35 122.910 122.910 122.749 0.161 18222 5963 1 14 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.772 0.448 18222 5964 1 14 . 1 1 35 35 VAL CA C 35 66.310 66.310 64.935 1.375 18222 5965 1 14 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.268 -0.709 18222 5966 1 14 . 1 1 35 35 VAL H H 35 8.090 8.090 8.203 -0.113 18222 5967 1 14 . 1 1 36 36 PHE N N 36 120.020 120.020 121.075 -1.055 18222 5968 1 14 . 1 1 36 36 PHE CA C 36 61.350 61.350 61.748 -0.398 18222 5969 1 14 . 1 1 36 36 PHE CB C 36 38.090 38.090 38.799 -0.709 18222 5970 1 14 . 1 1 36 36 PHE H H 36 8.350 8.350 8.344 0.006 18222 5971 1 14 . 1 1 37 37 THR N N 37 116.980 116.980 115.890 1.090 18222 5972 1 14 . 1 1 37 37 THR HA H 37 4.050 4.050 3.667 0.383 18222 5973 1 14 . 1 1 37 37 THR CA C 37 66.000 66.000 66.555 -0.555 18222 5974 1 14 . 1 1 37 37 THR CB C 37 68.270 68.270 68.857 -0.587 18222 5975 1 14 . 1 1 37 37 THR H H 37 8.520 8.520 8.139 0.381 18222 5976 1 14 . 1 1 38 38 PHE N N 38 123.090 123.090 119.293 3.797 18222 5977 1 14 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.217 0.143 18222 5978 1 14 . 1 1 38 38 PHE CA C 38 61.140 61.140 60.557 0.583 18222 5979 1 14 . 1 1 38 38 PHE CB C 38 41.200 41.200 39.315 1.885 18222 5980 1 14 . 1 1 38 38 PHE H H 38 8.010 8.010 7.881 0.129 18222 5981 1 14 . 1 1 39 39 VAL N N 39 117.280 117.280 118.811 -1.531 18222 5982 1 14 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.645 0.565 18222 5983 1 14 . 1 1 39 39 VAL CA C 39 66.000 66.000 66.311 -0.311 18222 5984 1 14 . 1 1 39 39 VAL CB C 39 30.860 30.860 31.428 -0.568 18222 5985 1 14 . 1 1 39 39 VAL H H 39 8.530 8.530 8.573 -0.043 18222 5986 1 14 . 1 1 40 40 THR N N 40 109.470 109.470 113.839 -4.369 18222 5987 1 14 . 1 1 40 40 THR HA H 40 4.060 4.060 4.134 -0.074 18222 5988 1 14 . 1 1 40 40 THR CA C 40 63.390 63.390 63.563 -0.173 18222 5989 1 14 . 1 1 40 40 THR CB C 40 68.650 68.650 68.074 0.576 18222 5990 1 14 . 1 1 40 40 THR H H 40 7.700 7.700 7.813 -0.113 18222 5991 1 14 . 1 1 41 41 GLY N N 41 110.770 110.770 108.814 1.956 18222 5992 1 14 . 1 1 41 41 GLY CA C 41 45.580 45.580 44.778 0.802 18222 5993 1 14 . 1 1 41 41 GLY H H 41 7.700 7.700 7.644 0.056 18222 5994 1 14 . 1 1 42 42 THR N N 42 114.520 114.520 114.779 -0.259 18222 5995 1 14 . 1 1 42 42 THR CA C 42 63.300 63.300 63.191 0.109 18222 5996 1 14 . 1 1 42 42 THR CB C 42 69.490 69.490 67.470 2.020 18222 5997 1 14 . 1 1 42 42 THR H H 42 7.720 7.720 7.370 0.350 18222 5998 1 14 . 1 1 43 43 GLY N N 43 109.540 109.540 108.922 0.618 18222 5999 1 14 . 1 1 43 43 GLY CA C 43 46.250 46.250 45.996 0.254 18222 6000 1 14 . 1 1 43 43 GLY H H 43 8.110 8.110 8.494 -0.384 18222 6001 1 14 . 1 1 44 44 MET N N 44 120.240 120.240 121.107 -0.867 18222 6002 1 14 . 1 1 44 44 MET HA H 44 4.100 4.100 4.008 0.092 18222 6003 1 14 . 1 1 44 44 MET CA C 44 57.700 57.700 58.563 -0.863 18222 6004 1 14 . 1 1 44 44 MET CB C 44 32.030 32.030 32.621 -0.591 18222 6005 1 14 . 1 1 44 44 MET H H 44 7.730 7.730 7.971 -0.241 18222 6006 1 14 . 1 1 45 45 ALA N N 45 121.560 121.560 121.330 0.230 18222 6007 1 14 . 1 1 45 45 ALA CA C 45 54.440 54.440 55.100 -0.660 18222 6008 1 14 . 1 1 45 45 ALA CB C 45 17.400 17.400 17.792 -0.392 18222 6009 1 14 . 1 1 45 45 ALA H H 45 7.950 7.950 7.723 0.227 18222 6010 1 14 . 1 1 46 46 PHE N N 46 118.260 118.260 119.001 -0.741 18222 6011 1 14 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.175 -0.245 18222 6012 1 14 . 1 1 46 46 PHE CA C 46 59.820 59.820 61.412 -1.592 18222 6013 1 14 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.739 -0.479 18222 6014 1 14 . 1 1 46 46 PHE H H 46 7.860 7.860 8.366 -0.506 18222 6015 1 14 . 1 1 47 47 GLY N N 47 107.300 107.300 107.993 -0.693 18222 6016 1 14 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.150 -0.590 18222 6017 1 14 . 1 1 47 47 GLY H H 47 8.200 8.200 8.486 -0.286 18222 6018 1 14 . 1 1 48 48 LEU N N 48 121.920 121.920 123.795 -1.875 18222 6019 1 14 . 1 1 48 48 LEU HA H 48 4.040 4.040 4.020 0.020 18222 6020 1 14 . 1 1 48 48 LEU CA C 48 57.580 57.580 58.316 -0.736 18222 6021 1 14 . 1 1 48 48 LEU CB C 48 40.790 40.790 41.891 -1.101 18222 6022 1 14 . 1 1 48 48 LEU H H 48 8.180 8.180 8.439 -0.259 18222 6023 1 14 . 1 1 49 49 GLN N N 49 118.270 118.270 118.176 0.094 18222 6024 1 14 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.965 -0.135 18222 6025 1 14 . 1 1 49 49 GLN CA C 49 58.880 58.880 58.535 0.345 18222 6026 1 14 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.308 -1.067 18222 6027 1 14 . 1 1 49 49 GLN H H 49 8.080 8.080 8.276 -0.196 18222 6028 1 14 . 1 1 50 50 MET N N 50 117.630 117.630 121.543 -3.913 18222 6029 1 14 . 1 1 50 50 MET HA H 50 4.010 4.010 4.324 -0.314 18222 6030 1 14 . 1 1 50 50 MET CA C 50 57.730 57.730 59.002 -1.272 18222 6031 1 14 . 1 1 50 50 MET CB C 50 27.160 27.160 32.836 -5.676 18222 6032 1 14 . 1 1 50 50 MET H H 50 7.880 7.880 8.092 -0.212 18222 6033 1 14 . 1 1 51 51 PHE N N 51 119.550 119.550 119.476 0.074 18222 6034 1 14 . 1 1 51 51 PHE CA C 51 60.850 60.850 61.952 -1.102 18222 6035 1 14 . 1 1 51 51 PHE CB C 51 38.720 38.720 39.373 -0.653 18222 6036 1 14 . 1 1 51 51 PHE H H 51 7.890 7.890 8.498 -0.608 18222 6037 1 14 . 1 1 52 52 ILE N N 52 117.950 117.950 118.563 -0.613 18222 6038 1 14 . 1 1 52 52 ILE HA H 52 4.050 4.050 3.773 0.277 18222 6039 1 14 . 1 1 52 52 ILE CA C 52 63.560 63.560 65.037 -1.477 18222 6040 1 14 . 1 1 52 52 ILE CB C 52 36.810 36.810 38.068 -1.258 18222 6041 1 14 . 1 1 52 52 ILE H H 52 8.110 8.110 8.127 -0.017 18222 6042 1 14 . 1 1 53 53 GLN N N 53 117.360 117.360 118.346 -0.986 18222 6043 1 14 . 1 1 53 53 GLN CA C 53 57.200 57.200 58.201 -1.001 18222 6044 1 14 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.360 -0.490 18222 6045 1 14 . 1 1 53 53 GLN H H 53 7.930 7.930 8.350 -0.420 18222 6046 1 14 . 1 1 54 54 ARG N N 54 116.840 116.840 118.378 -1.538 18222 6047 1 14 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.184 -0.234 18222 6048 1 14 . 1 1 54 54 ARG CA C 54 56.480 56.480 57.606 -1.126 18222 6049 1 14 . 1 1 54 54 ARG CB C 54 28.970 28.970 29.859 -0.889 18222 6050 1 14 . 1 1 54 54 ARG H H 54 7.540 7.540 7.828 -0.288 18222 6051 1 14 . 1 1 55 55 LYS N N 55 117.900 117.900 117.957 -0.057 18222 6052 1 14 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.240 -0.160 18222 6053 1 14 . 1 1 55 55 LYS CA C 55 55.030 55.030 56.618 -1.588 18222 6054 1 14 . 1 1 55 55 LYS CB C 55 32.010 32.010 32.706 -0.696 18222 6055 1 14 . 1 1 55 55 LYS H H 55 7.660 7.660 7.216 0.444 18222 6056 1 14 . 1 1 56 56 PHE N N 56 121.060 121.060 121.334 -0.274 18222 6057 1 14 . 1 1 56 56 PHE CA C 56 55.190 55.190 55.144 0.046 18222 6058 1 14 . 1 1 56 56 PHE CB C 56 38.970 38.970 39.568 -0.598 18222 6059 1 14 . 1 1 56 56 PHE H H 56 8.080 8.080 7.807 0.273 18222 6060 1 14 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.415 -1.025 18222 6061 1 14 . 1 1 57 57 PRO CB C 57 30.580 30.580 31.555 -0.975 18222 6062 1 14 . 1 1 58 58 TYR N N 58 120.240 120.240 119.943 0.297 18222 6063 1 14 . 1 1 58 58 TYR CA C 58 55.770 55.770 55.650 0.120 18222 6064 1 14 . 1 1 58 58 TYR CB C 58 40.220 40.220 38.790 1.430 18222 6065 1 14 . 1 1 58 58 TYR H H 58 7.700 7.700 7.896 -0.196 18222 6066 1 14 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.938 -1.808 18222 6067 1 14 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.223 1.117 18222 6068 1 14 . 1 1 60 60 LEU N N 60 122.210 122.210 120.178 2.032 18222 6069 1 14 . 1 1 60 60 LEU CA C 60 54.250 54.250 54.184 0.065 18222 6070 1 14 . 1 1 60 60 LEU CB C 60 41.470 41.470 43.374 -1.904 18222 6071 1 14 . 1 1 60 60 LEU H H 60 7.880 7.880 7.861 0.019 18222 6072 1 14 . 1 1 61 61 GLN N N 61 122.470 122.470 120.280 2.190 18222 6073 1 14 . 1 1 61 61 GLN CA C 61 54.170 54.170 54.946 -0.776 18222 6074 1 14 . 1 1 61 61 GLN H H 61 7.970 7.970 8.346 -0.376 18222 6075 1 14 . 1 1 62 62 TRP N N 62 124.590 124.590 125.335 -0.745 18222 6076 1 14 . 1 1 62 62 TRP CA C 62 59.830 59.830 61.572 -1.742 18222 6077 1 14 . 1 1 62 62 TRP CB C 62 28.800 28.800 29.323 -0.523 18222 6078 1 14 . 1 1 62 62 TRP H H 62 8.240 8.240 8.744 -0.504 18222 6079 1 14 . 1 1 63 63 SER N N 63 113.320 113.320 115.122 -1.802 18222 6080 1 14 . 1 1 63 63 SER CA C 63 61.100 61.100 61.174 -0.074 18222 6081 1 14 . 1 1 63 63 SER H H 63 8.410 8.410 8.359 0.051 18222 6082 1 14 . 1 1 64 64 LEU N N 64 123.230 123.230 121.974 1.256 18222 6083 1 14 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.682 -0.802 18222 6084 1 14 . 1 1 64 64 LEU CB C 64 40.830 40.830 41.927 -1.097 18222 6085 1 14 . 1 1 64 64 LEU H H 64 7.230 7.230 7.883 -0.653 18222 6086 1 14 . 1 1 65 65 LEU N N 65 119.400 119.400 120.405 -1.005 18222 6087 1 14 . 1 1 65 65 LEU HA H 65 3.890 3.890 4.047 -0.157 18222 6088 1 14 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.233 -0.653 18222 6089 1 14 . 1 1 65 65 LEU CB C 65 40.710 40.710 41.618 -0.908 18222 6090 1 14 . 1 1 65 65 LEU H H 65 7.510 7.510 8.554 -1.044 18222 6091 1 14 . 1 1 66 66 VAL N N 66 116.950 116.950 119.065 -2.115 18222 6092 1 14 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.688 0.272 18222 6093 1 14 . 1 1 66 66 VAL CA C 66 66.260 66.260 65.515 0.745 18222 6094 1 14 . 1 1 66 66 VAL CB C 66 30.570 30.570 31.074 -0.504 18222 6095 1 14 . 1 1 66 66 VAL H H 66 7.950 7.950 8.361 -0.411 18222 6096 1 14 . 1 1 67 67 ALA N N 67 120.650 120.650 122.546 -1.896 18222 6097 1 14 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.073 -0.073 18222 6098 1 14 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.096 -0.316 18222 6099 1 14 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.427 -0.987 18222 6100 1 14 . 1 1 67 67 ALA H H 67 7.450 7.450 8.151 -0.701 18222 6101 1 14 . 1 1 68 68 VAL N N 68 118.440 118.440 119.009 -0.569 18222 6102 1 14 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.750 0.000 18222 6103 1 14 . 1 1 68 68 VAL CA C 68 65.250 65.250 65.481 -0.231 18222 6104 1 14 . 1 1 68 68 VAL CB C 68 30.850 30.850 31.420 -0.570 18222 6105 1 14 . 1 1 68 68 VAL H H 68 7.960 7.960 7.907 0.053 18222 6106 1 14 . 1 1 69 69 VAL N N 69 120.800 120.800 120.732 0.068 18222 6107 1 14 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.596 0.624 18222 6108 1 14 . 1 1 69 69 VAL CA C 69 66.020 66.020 66.992 -0.972 18222 6109 1 14 . 1 1 69 69 VAL CB C 69 30.850 30.850 30.865 -0.015 18222 6110 1 14 . 1 1 69 69 VAL H H 69 8.080 8.080 8.537 -0.458 18222 6111 1 14 . 1 1 70 70 ALA N N 70 121.740 121.740 120.639 1.101 18222 6112 1 14 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.240 -0.320 18222 6113 1 14 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.281 -0.361 18222 6114 1 14 . 1 1 70 70 ALA CB C 70 17.620 17.620 18.070 -0.449 18222 6115 1 14 . 1 1 70 70 ALA H H 70 8.660 8.660 8.501 0.159 18222 6116 1 14 . 1 1 71 71 GLY N N 71 103.450 103.450 107.430 -3.980 18222 6117 1 14 . 1 1 71 71 GLY CA C 71 46.300 46.300 47.057 -0.757 18222 6118 1 14 . 1 1 71 71 GLY H H 71 8.010 8.010 8.041 -0.031 18222 6119 1 14 . 1 1 72 72 SER N N 72 118.160 118.160 117.043 1.117 18222 6120 1 14 . 1 1 72 72 SER CA C 72 61.260 61.260 61.823 -0.563 18222 6121 1 14 . 1 1 72 72 SER CB C 72 62.870 62.870 63.143 -0.273 18222 6122 1 14 . 1 1 72 72 SER H H 72 7.870 7.870 8.206 -0.336 18222 6123 1 14 . 1 1 73 73 VAL N N 73 121.340 121.340 121.812 -0.472 18222 6124 1 14 . 1 1 73 73 VAL CA C 73 65.750 65.750 66.318 -0.568 18222 6125 1 14 . 1 1 73 73 VAL CB C 73 30.740 30.740 30.942 -0.202 18222 6126 1 14 . 1 1 73 73 VAL H H 73 8.050 8.050 8.230 -0.180 18222 6127 1 14 . 1 1 74 74 VAL N N 74 118.680 118.680 119.166 -0.486 18222 6128 1 14 . 1 1 74 74 VAL CA C 74 65.770 65.770 66.820 -1.050 18222 6129 1 14 . 1 1 74 74 VAL CB C 74 30.740 30.740 30.641 0.099 18222 6130 1 14 . 1 1 74 74 VAL H H 74 7.880 7.880 8.658 -0.778 18222 6131 1 14 . 1 1 75 75 SER N N 75 114.750 114.750 116.664 -1.914 18222 6132 1 14 . 1 1 75 75 SER HA H 75 4.100 4.100 4.233 -0.133 18222 6133 1 14 . 1 1 75 75 SER CA C 75 60.870 60.870 62.414 -1.544 18222 6134 1 14 . 1 1 75 75 SER CB C 75 62.340 62.340 63.108 -0.768 18222 6135 1 14 . 1 1 75 75 SER H H 75 7.870 7.870 8.046 -0.176 18222 6136 1 14 . 1 1 76 76 TYR N N 76 121.110 121.110 122.659 -1.549 18222 6137 1 14 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.836 -1.786 18222 6138 1 14 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.690 -0.710 18222 6139 1 14 . 1 1 76 76 TYR H H 76 7.860 7.860 8.683 -0.823 18222 6140 1 14 . 1 1 77 77 GLY N N 77 107.300 107.300 106.737 0.563 18222 6141 1 14 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.350 -0.790 18222 6142 1 14 . 1 1 77 77 GLY H H 77 8.200 8.200 8.614 -0.414 18222 6143 1 14 . 1 1 78 78 VAL N N 78 119.470 119.470 121.665 -2.195 18222 6144 1 14 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.638 0.532 18222 6145 1 14 . 1 1 78 78 VAL CA C 78 64.650 64.650 66.284 -1.634 18222 6146 1 14 . 1 1 78 78 VAL H H 78 8.140 8.140 8.620 -0.480 18222 6147 1 14 . 1 1 79 79 THR N N 79 112.100 112.100 116.713 -4.613 18222 6148 1 14 . 1 1 79 79 THR CA C 79 63.460 63.460 66.924 -3.465 18222 6149 1 14 . 1 1 79 79 THR CB C 79 68.650 68.650 68.438 0.212 18222 6150 1 14 . 1 1 79 79 THR H H 79 7.640 7.640 7.995 -0.355 18222 6151 1 14 . 1 1 80 80 ARG N N 80 120.770 120.770 121.925 -1.155 18222 6152 1 14 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.048 0.112 18222 6153 1 14 . 1 1 80 80 ARG CA C 80 56.790 56.790 59.834 -3.044 18222 6154 1 14 . 1 1 80 80 ARG CB C 80 29.430 29.430 30.198 -0.768 18222 6155 1 14 . 1 1 80 80 ARG H H 80 7.680 7.680 7.978 -0.298 18222 6156 1 14 . 1 1 81 81 VAL N N 81 118.370 118.370 119.383 -1.013 18222 6157 1 14 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.717 0.203 18222 6158 1 14 . 1 1 81 81 VAL CA C 81 63.340 63.340 65.974 -2.634 18222 6159 1 14 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.362 -0.102 18222 6160 1 14 . 1 1 81 81 VAL H H 81 7.730 7.730 8.244 -0.514 18222 6161 1 14 . 1 1 82 82 GLU N N 82 120.620 120.620 119.627 0.993 18222 6162 1 14 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.282 -2.962 18222 6163 1 14 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.387 -1.456 18222 6164 1 14 . 1 1 82 82 GLU H H 82 7.920 7.920 8.505 -0.585 18222 6165 1 14 . 1 1 83 83 SER N N 83 116.240 116.240 115.656 0.584 18222 6166 1 14 . 1 1 83 83 SER CA C 83 59.250 59.250 61.754 -2.504 18222 6167 1 14 . 1 1 83 83 SER CB C 83 63.160 63.160 62.849 0.311 18222 6168 1 14 . 1 1 83 83 SER H H 83 7.960 7.960 7.968 -0.008 18222 6169 1 14 . 1 1 84 84 GLU N N 84 123.280 123.280 122.333 0.947 18222 6170 1 14 . 1 1 84 84 GLU HA H 84 4.080 4.080 3.953 0.127 18222 6171 1 14 . 1 1 84 84 GLU CA C 84 57.860 57.860 59.965 -2.105 18222 6172 1 14 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.678 -1.488 18222 6173 1 14 . 1 1 84 84 GLU H H 84 8.470 8.470 8.181 0.289 18222 6174 1 14 . 1 1 85 85 LYS N N 85 118.650 118.650 119.862 -1.212 18222 6175 1 14 . 1 1 85 85 LYS HA H 85 4.100 4.100 4.076 0.024 18222 6176 1 14 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.390 -1.610 18222 6177 1 14 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.476 -1.096 18222 6178 1 14 . 1 1 85 85 LYS H H 85 7.940 7.940 8.104 -0.164 18222 6179 1 14 . 1 1 86 86 CYS N N 86 117.070 117.070 118.279 -1.209 18222 6180 1 14 . 1 1 86 86 CYS CA C 86 60.910 60.910 61.721 -0.811 18222 6181 1 14 . 1 1 86 86 CYS CB C 86 26.740 26.740 26.199 0.541 18222 6182 1 14 . 1 1 86 86 CYS H H 86 7.840 7.840 8.123 -0.283 18222 6183 1 14 . 1 1 87 87 ASN N N 87 119.370 119.370 119.763 -0.393 18222 6184 1 14 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.403 -0.273 18222 6185 1 14 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.694 -0.944 18222 6186 1 14 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.257 -0.207 18222 6187 1 14 . 1 1 87 87 ASN H H 87 8.110 8.110 8.276 -0.166 18222 6188 1 14 . 1 1 88 88 ASN N N 88 117.570 117.570 119.719 -2.149 18222 6189 1 14 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.618 -0.338 18222 6190 1 14 . 1 1 88 88 ASN CA C 88 55.190 55.190 56.499 -1.309 18222 6191 1 14 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.447 -1.047 18222 6192 1 14 . 1 1 88 88 ASN H H 88 8.280 8.280 8.289 -0.009 18222 6193 1 14 . 1 1 89 89 LEU N N 89 121.940 121.940 121.539 0.401 18222 6194 1 14 . 1 1 89 89 LEU HA H 89 4.070 4.070 3.904 0.166 18222 6195 1 14 . 1 1 89 89 LEU CA C 89 57.580 57.580 58.683 -1.103 18222 6196 1 14 . 1 1 89 89 LEU CB C 89 40.490 40.490 41.151 -0.661 18222 6197 1 14 . 1 1 89 89 LEU H H 89 7.790 7.790 8.448 -0.658 18222 6198 1 14 . 1 1 90 90 TRP N N 90 119.220 119.220 120.089 -0.869 18222 6199 1 14 . 1 1 90 90 TRP CA C 90 59.120 59.120 59.941 -0.822 18222 6200 1 14 . 1 1 90 90 TRP CB C 90 28.800 28.800 29.691 -0.891 18222 6201 1 14 . 1 1 90 90 TRP H H 90 7.850 7.850 8.487 -0.637 18222 6202 1 14 . 1 1 91 91 LEU N N 91 117.870 117.870 121.257 -3.387 18222 6203 1 14 . 1 1 91 91 LEU CA C 91 57.300 57.300 58.087 -0.788 18222 6204 1 14 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.112 -0.502 18222 6205 1 14 . 1 1 91 91 LEU H H 91 7.920 7.920 8.436 -0.516 18222 6206 1 14 . 1 1 92 92 PHE N N 92 121.280 121.280 118.357 2.923 18222 6207 1 14 . 1 1 92 92 PHE CA C 92 60.390 60.390 62.001 -1.611 18222 6208 1 14 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.216 -0.236 18222 6209 1 14 . 1 1 92 92 PHE H H 92 7.860 7.860 8.664 -0.804 18222 6210 1 14 . 1 1 93 93 LEU N N 93 119.860 119.860 121.126 -1.266 18222 6211 1 14 . 1 1 93 93 LEU CA C 93 56.860 56.860 57.925 -1.065 18222 6212 1 14 . 1 1 93 93 LEU CB C 93 40.550 40.550 41.467 -0.917 18222 6213 1 14 . 1 1 93 93 LEU H H 93 7.980 7.980 8.561 -0.581 18222 6214 1 14 . 1 1 94 94 GLU N N 94 114.660 114.660 116.444 -1.784 18222 6215 1 14 . 1 1 94 94 GLU HA H 94 3.810 3.810 4.016 -0.206 18222 6216 1 14 . 1 1 94 94 GLU CA C 94 57.210 57.210 59.039 -1.829 18222 6217 1 14 . 1 1 94 94 GLU CB C 94 28.470 28.470 29.558 -1.088 18222 6218 1 14 . 1 1 94 94 GLU H H 94 7.890 7.890 8.495 -0.605 18222 6219 1 14 . 1 1 95 95 THR N N 95 108.260 108.260 111.472 -3.212 18222 6220 1 14 . 1 1 95 95 THR CA C 95 62.150 62.150 62.943 -0.792 18222 6221 1 14 . 1 1 95 95 THR CB C 95 70.810 70.810 68.909 1.901 18222 6222 1 14 . 1 1 95 95 THR H H 95 7.690 7.690 7.576 0.114 18222 6223 1 14 . 1 1 96 96 GLY N N 96 112.220 112.220 110.138 2.082 18222 6224 1 14 . 1 1 96 96 GLY CA C 96 45.410 45.410 45.914 -0.504 18222 6225 1 14 . 1 1 96 96 GLY H H 96 8.240 8.240 8.178 0.062 18222 6226 1 14 . 1 1 97 97 GLN N N 97 117.950 117.950 119.655 -1.705 18222 6227 1 14 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.312 -0.112 18222 6228 1 14 . 1 1 97 97 GLN CA C 97 54.430 54.430 55.677 -1.247 18222 6229 1 14 . 1 1 97 97 GLN CB C 97 29.910 29.910 29.624 0.286 18222 6230 1 14 . 1 1 97 97 GLN H H 97 7.640 7.640 7.948 -0.308 18222 6231 1 14 . 1 1 98 98 LEU N N 98 123.810 123.810 125.292 -1.482 18222 6232 1 14 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.552 -0.192 18222 6233 1 14 . 1 1 98 98 LEU CA C 98 52.650 52.650 53.210 -0.560 18222 6234 1 14 . 1 1 98 98 LEU CB C 98 40.460 40.460 41.144 -0.684 18222 6235 1 14 . 1 1 98 98 LEU H H 98 8.270 8.270 8.396 -0.126 18222 6236 1 14 . 1 1 99 99 PRO CA C 99 63.180 63.180 61.939 1.241 18222 6237 1 14 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.532 -1.692 18222 6238 1 14 . 1 1 100 100 LYS N N 100 120.630 120.630 118.792 1.838 18222 6239 1 14 . 1 1 100 100 LYS CA C 100 55.730 55.730 58.251 -2.521 18222 6240 1 14 . 1 1 100 100 LYS CB C 100 32.280 32.280 32.555 -0.275 18222 6241 1 14 . 1 1 100 100 LYS H H 100 8.090 8.090 8.304 -0.214 18222 6242 1 14 . 1 1 101 101 ASP N N 101 120.920 120.920 117.181 3.739 18222 6243 1 14 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.853 -0.663 18222 6244 1 14 . 1 1 101 101 ASP CA C 101 54.000 54.000 53.366 0.634 18222 6245 1 14 . 1 1 101 101 ASP CB C 101 40.330 40.330 42.589 -2.259 18222 6246 1 14 . 1 1 101 101 ASP H H 101 8.190 8.190 8.091 0.099 18222 6247 1 14 . 1 1 102 102 ARG N N 102 122.210 122.210 121.221 0.989 18222 6248 1 14 . 1 1 102 102 ARG CA C 102 55.590 55.590 55.367 0.223 18222 6249 1 14 . 1 1 102 102 ARG CB C 102 29.630 29.630 31.778 -2.148 18222 6250 1 14 . 1 1 102 102 ARG H H 102 8.130 8.130 8.483 -0.353 18222 6251 1 14 . 1 1 103 103 SER N N 103 117.230 117.230 116.626 0.604 18222 6252 1 14 . 1 1 103 103 SER HA H 103 4.280 4.280 4.600 -0.320 18222 6253 1 14 . 1 1 103 103 SER CA C 103 58.470 58.470 58.381 0.089 18222 6254 1 14 . 1 1 103 103 SER CB C 103 63.080 63.080 64.471 -1.391 18222 6255 1 14 . 1 1 103 103 SER H H 103 8.290 8.290 8.584 -0.294 18222 6256 1 14 . 1 1 104 104 THR N N 104 115.430 115.430 116.906 -1.476 18222 6257 1 14 . 1 1 104 104 THR CA C 104 61.570 61.570 62.028 -0.458 18222 6258 1 14 . 1 1 104 104 THR CB C 104 69.030 69.030 70.022 -0.992 18222 6259 1 14 . 1 1 104 104 THR H H 104 8.020 8.020 8.022 -0.002 18222 6260 1 14 . 1 1 105 105 ASP N N 105 122.780 122.780 122.981 -0.201 18222 6261 1 14 . 1 1 105 105 ASP CA C 105 54.210 54.210 53.575 0.634 18222 6262 1 14 . 1 1 105 105 ASP CB C 105 40.380 40.380 43.237 -2.857 18222 6263 1 14 . 1 1 105 105 ASP H H 105 8.120 8.120 8.512 -0.392 18222 6264 1 14 . 1 1 106 106 GLN N N 106 120.960 120.960 119.187 1.773 18222 6265 1 14 . 1 1 106 106 GLN CA C 106 55.420 55.420 56.225 -0.805 18222 6266 1 14 . 1 1 106 106 GLN CB C 106 28.310 28.310 30.715 -2.405 18222 6267 1 14 . 1 1 106 106 GLN H H 106 8.140 8.140 8.604 -0.464 18222 6268 1 14 . 1 1 107 107 ARG N N 107 123.010 123.010 122.736 0.274 18222 6269 1 14 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.628 -0.418 18222 6270 1 14 . 1 1 107 107 ARG CA C 107 55.560 55.560 55.985 -0.425 18222 6271 1 14 . 1 1 107 107 ARG CB C 107 29.920 29.920 31.687 -1.767 18222 6272 1 14 . 1 1 107 107 ARG H H 107 8.180 8.180 8.495 -0.315 18222 6273 1 15 . 1 1 2 2 VAL N N 2 121.590 121.590 123.154 -1.564 18222 6274 1 15 . 1 1 2 2 VAL CA C 2 61.600 61.600 61.561 0.039 18222 6275 1 15 . 1 1 2 2 VAL CB C 2 31.900 31.900 33.520 -1.619 18222 6276 1 15 . 1 1 2 2 VAL H H 2 8.010 8.010 8.208 -0.198 18222 6277 1 15 . 1 1 3 3 ASN N N 3 122.520 122.520 123.473 -0.953 18222 6278 1 15 . 1 1 3 3 ASN HA H 3 4.020 4.020 5.055 -1.035 18222 6279 1 15 . 1 1 3 3 ASN CA C 3 52.640 52.640 53.488 -0.848 18222 6280 1 15 . 1 1 3 3 ASN CB C 3 38.330 38.330 39.826 -1.496 18222 6281 1 15 . 1 1 3 3 ASN H H 3 8.360 8.360 8.255 0.105 18222 6282 1 15 . 1 1 4 4 LEU N N 4 123.830 123.830 123.142 0.688 18222 6283 1 15 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.780 -0.560 18222 6284 1 15 . 1 1 4 4 LEU CA C 4 54.620 54.620 54.587 0.033 18222 6285 1 15 . 1 1 4 4 LEU CB C 4 41.680 41.680 44.020 -2.340 18222 6286 1 15 . 1 1 4 4 LEU H H 4 8.220 8.220 8.693 -0.473 18222 6287 1 15 . 1 1 5 5 GLY N N 5 106.810 106.810 111.612 -4.802 18222 6288 1 15 . 1 1 5 5 GLY CA C 5 45.800 45.800 44.749 1.051 18222 6289 1 15 . 1 1 5 5 GLY H H 5 8.030 8.030 8.267 -0.237 18222 6290 1 15 . 1 1 6 6 LEU N N 6 120.820 120.820 121.524 -0.704 18222 6291 1 15 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.585 -0.535 18222 6292 1 15 . 1 1 6 6 LEU CA C 6 55.990 55.990 56.876 -0.886 18222 6293 1 15 . 1 1 6 6 LEU CB C 6 40.800 40.800 42.718 -1.918 18222 6294 1 15 . 1 1 6 6 LEU H H 6 8.030 8.030 8.382 -0.352 18222 6295 1 15 . 1 1 7 7 SER N N 7 115.540 115.540 116.682 -1.142 18222 6296 1 15 . 1 1 7 7 SER HA H 7 4.100 4.100 4.258 -0.158 18222 6297 1 15 . 1 1 7 7 SER CA C 7 60.580 60.580 60.878 -0.298 18222 6298 1 15 . 1 1 7 7 SER CB C 7 62.060 62.060 62.215 -0.155 18222 6299 1 15 . 1 1 7 7 SER H H 7 8.360 8.360 8.416 -0.056 18222 6300 1 15 . 1 1 8 8 ARG N N 8 120.690 120.690 120.902 -0.212 18222 6301 1 15 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.153 0.007 18222 6302 1 15 . 1 1 8 8 ARG CA C 8 57.350 57.350 59.430 -2.080 18222 6303 1 15 . 1 1 8 8 ARG CB C 8 29.230 29.230 30.195 -0.965 18222 6304 1 15 . 1 1 8 8 ARG H H 8 7.830 7.830 8.436 -0.606 18222 6305 1 15 . 1 1 9 9 VAL N N 9 119.330 119.330 119.713 -0.383 18222 6306 1 15 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.681 0.489 18222 6307 1 15 . 1 1 9 9 VAL CA C 9 64.720 64.720 66.228 -1.508 18222 6308 1 15 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.502 -0.602 18222 6309 1 15 . 1 1 9 9 VAL H H 9 7.620 7.620 7.584 0.036 18222 6310 1 15 . 1 1 10 10 ASP N N 10 119.520 119.520 120.795 -1.275 18222 6311 1 15 . 1 1 10 10 ASP CA C 10 54.960 54.960 57.814 -2.854 18222 6312 1 15 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.304 -2.504 18222 6313 1 15 . 1 1 10 10 ASP H H 10 8.180 8.180 8.265 -0.085 18222 6314 1 15 . 1 1 11 11 ASP N N 11 121.550 121.550 119.967 1.583 18222 6315 1 15 . 1 1 11 11 ASP CA C 11 54.440 54.440 56.905 -2.465 18222 6316 1 15 . 1 1 11 11 ASP CB C 11 37.840 37.840 41.230 -3.390 18222 6317 1 15 . 1 1 11 11 ASP H H 11 7.950 7.950 8.303 -0.353 18222 6318 1 15 . 1 1 12 12 ALA N N 12 120.220 120.220 122.682 -2.462 18222 6319 1 15 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.264 -0.894 18222 6320 1 15 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.549 6.181 18222 6321 1 15 . 1 1 12 12 ALA H H 12 8.090 8.090 7.868 0.222 18222 6322 1 15 . 1 1 13 13 VAL N N 13 116.910 116.910 115.668 1.242 18222 6323 1 15 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.708 0.432 18222 6324 1 15 . 1 1 13 13 VAL CA C 13 64.900 64.900 66.033 -1.133 18222 6325 1 15 . 1 1 13 13 VAL CB C 13 31.000 31.000 31.459 -0.459 18222 6326 1 15 . 1 1 13 13 VAL H H 13 7.980 7.980 8.143 -0.163 18222 6327 1 15 . 1 1 14 14 ALA N N 14 122.200 122.200 123.192 -0.992 18222 6328 1 15 . 1 1 14 14 ALA HA H 14 4.020 4.020 4.156 -0.136 18222 6329 1 15 . 1 1 14 14 ALA CA C 14 53.800 53.800 54.761 -0.961 18222 6330 1 15 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.543 -0.753 18222 6331 1 15 . 1 1 14 14 ALA H H 14 8.030 8.030 7.926 0.104 18222 6332 1 15 . 1 1 15 15 ALA N N 15 118.600 118.600 119.552 -0.952 18222 6333 1 15 . 1 1 15 15 ALA CA C 15 53.230 53.230 54.297 -1.067 18222 6334 1 15 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.903 -0.893 18222 6335 1 15 . 1 1 15 15 ALA H H 15 7.530 7.530 7.844 -0.314 18222 6336 1 15 . 1 1 16 16 LYS N N 16 115.820 115.820 116.740 -0.920 18222 6337 1 15 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.247 -0.167 18222 6338 1 15 . 1 1 16 16 LYS CA C 16 55.670 55.670 57.172 -1.502 18222 6339 1 15 . 1 1 16 16 LYS CB C 16 32.640 32.640 33.881 -1.241 18222 6340 1 15 . 1 1 16 16 LYS H H 16 7.490 7.490 7.759 -0.269 18222 6341 1 15 . 1 1 17 17 HIS N N 17 116.790 116.790 118.714 -1.924 18222 6342 1 15 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.966 -0.867 18222 6343 1 15 . 1 1 17 17 HIS CA C 17 52.820 52.820 53.555 -0.735 18222 6344 1 15 . 1 1 17 17 HIS CB C 17 28.400 28.400 30.505 -2.105 18222 6345 1 15 . 1 1 17 17 HIS H H 17 8.130 8.130 8.423 -0.293 18222 6346 1 15 . 1 1 18 18 PRO CA C 18 63.800 63.800 63.916 -0.116 18222 6347 1 15 . 1 1 18 18 PRO CB C 18 30.800 30.800 32.423 -1.623 18222 6348 1 15 . 1 1 19 19 GLY N N 19 110.260 110.260 106.147 4.113 18222 6349 1 15 . 1 1 19 19 GLY CA C 19 45.490 45.490 45.135 0.355 18222 6350 1 15 . 1 1 19 19 GLY H H 19 8.730 8.730 8.171 0.559 18222 6351 1 15 . 1 1 20 20 LEU N N 20 122.650 122.650 123.902 -1.252 18222 6352 1 15 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.585 -0.495 18222 6353 1 15 . 1 1 20 20 LEU CA C 20 57.060 57.060 56.638 0.422 18222 6354 1 15 . 1 1 20 20 LEU H H 20 7.980 7.980 8.405 -0.425 18222 6355 1 15 . 1 1 21 21 GLY N N 21 107.000 107.000 106.895 0.105 18222 6356 1 15 . 1 1 21 21 GLY CA C 21 46.710 46.710 47.647 -0.937 18222 6357 1 15 . 1 1 21 21 GLY H H 21 8.570 8.570 8.258 0.312 18222 6358 1 15 . 1 1 22 22 GLU N N 22 121.610 121.610 120.746 0.864 18222 6359 1 15 . 1 1 22 22 GLU HA H 22 3.990 3.990 3.910 0.080 18222 6360 1 15 . 1 1 22 22 GLU CA C 22 58.280 58.280 59.484 -1.204 18222 6361 1 15 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.151 -1.141 18222 6362 1 15 . 1 1 22 22 GLU H H 22 8.100 8.100 8.584 -0.484 18222 6363 1 15 . 1 1 23 23 TYR N N 23 120.870 120.870 119.063 1.807 18222 6364 1 15 . 1 1 23 23 TYR CA C 23 60.380 60.380 61.406 -1.026 18222 6365 1 15 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.150 -0.400 18222 6366 1 15 . 1 1 23 23 TYR H H 23 7.910 7.910 7.509 0.401 18222 6367 1 15 . 1 1 24 24 ALA N N 24 121.420 121.420 122.028 -0.608 18222 6368 1 15 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.247 -0.107 18222 6369 1 15 . 1 1 24 24 ALA CA C 24 54.260 54.260 54.841 -0.581 18222 6370 1 15 . 1 1 24 24 ALA H H 24 8.410 8.410 8.365 0.045 18222 6371 1 15 . 1 1 25 25 ALA N N 25 120.220 120.220 121.323 -1.103 18222 6372 1 15 . 1 1 25 25 ALA CA C 25 54.370 54.370 54.632 -0.262 18222 6373 1 15 . 1 1 25 25 ALA H H 25 8.090 8.090 8.271 -0.181 18222 6374 1 15 . 1 1 26 26 CYS N N 26 116.760 116.760 117.360 -0.600 18222 6375 1 15 . 1 1 26 26 CYS CA C 26 61.180 61.180 63.055 -1.875 18222 6376 1 15 . 1 1 26 26 CYS CB C 26 26.390 26.390 27.479 -1.089 18222 6377 1 15 . 1 1 26 26 CYS H H 26 7.950 7.950 8.185 -0.235 18222 6378 1 15 . 1 1 27 27 GLN N N 27 118.690 118.690 120.347 -1.657 18222 6379 1 15 . 1 1 27 27 GLN CA C 27 55.970 55.970 59.837 -3.866 18222 6380 1 15 . 1 1 27 27 GLN H H 27 8.060 8.060 8.310 -0.250 18222 6381 1 15 . 1 1 28 28 SER N N 28 115.490 115.490 115.734 -0.244 18222 6382 1 15 . 1 1 28 28 SER HA H 28 3.990 3.990 4.104 -0.114 18222 6383 1 15 . 1 1 28 28 SER CA C 28 61.110 61.110 61.747 -0.637 18222 6384 1 15 . 1 1 28 28 SER H H 28 7.980 7.980 8.333 -0.353 18222 6385 1 15 . 1 1 29 29 HIS N N 29 120.880 120.880 122.097 -1.217 18222 6386 1 15 . 1 1 29 29 HIS CA C 29 58.190 58.190 59.331 -1.141 18222 6387 1 15 . 1 1 29 29 HIS CB C 29 27.460 27.460 29.417 -1.957 18222 6388 1 15 . 1 1 29 29 HIS H H 29 8.180 8.180 8.381 -0.201 18222 6389 1 15 . 1 1 30 30 ALA N N 30 122.920 122.920 122.963 -0.043 18222 6390 1 15 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.391 -0.831 18222 6391 1 15 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.268 -0.778 18222 6392 1 15 . 1 1 30 30 ALA H H 30 8.040 8.040 8.048 -0.008 18222 6393 1 15 . 1 1 31 31 PHE N N 31 119.340 119.340 119.369 -0.029 18222 6394 1 15 . 1 1 31 31 PHE CA C 31 60.370 60.370 61.912 -1.542 18222 6395 1 15 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.213 -0.693 18222 6396 1 15 . 1 1 31 31 PHE H H 31 8.230 8.230 8.359 -0.129 18222 6397 1 15 . 1 1 32 32 MET N N 32 118.110 118.110 118.589 -0.479 18222 6398 1 15 . 1 1 32 32 MET HA H 32 4.050 4.050 4.144 -0.094 18222 6399 1 15 . 1 1 32 32 MET CA C 32 58.280 58.280 59.150 -0.870 18222 6400 1 15 . 1 1 32 32 MET CB C 32 31.090 31.090 32.506 -1.416 18222 6401 1 15 . 1 1 32 32 MET H H 32 8.120 8.120 8.449 -0.329 18222 6402 1 15 . 1 1 33 33 LYS N N 33 119.040 119.040 119.692 -0.652 18222 6403 1 15 . 1 1 33 33 LYS HA H 33 3.930 3.930 4.006 -0.076 18222 6404 1 15 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.801 -0.761 18222 6405 1 15 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.455 -1.464 18222 6406 1 15 . 1 1 33 33 LYS H H 33 7.970 7.970 8.541 -0.571 18222 6407 1 15 . 1 1 34 34 GLY N N 34 108.840 108.840 107.394 1.446 18222 6408 1 15 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.317 -0.707 18222 6409 1 15 . 1 1 34 34 GLY H H 34 8.030 8.030 8.279 -0.249 18222 6410 1 15 . 1 1 35 35 VAL N N 35 122.910 122.910 122.601 0.309 18222 6411 1 15 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.692 0.528 18222 6412 1 15 . 1 1 35 35 VAL CA C 35 66.310 66.310 67.000 -0.690 18222 6413 1 15 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.869 -1.309 18222 6414 1 15 . 1 1 35 35 VAL H H 35 8.090 8.090 8.105 -0.015 18222 6415 1 15 . 1 1 36 36 PHE N N 36 120.020 120.020 120.538 -0.518 18222 6416 1 15 . 1 1 36 36 PHE CA C 36 61.350 61.350 62.850 -1.500 18222 6417 1 15 . 1 1 36 36 PHE CB C 36 38.090 38.090 39.143 -1.053 18222 6418 1 15 . 1 1 36 36 PHE H H 36 8.350 8.350 8.434 -0.084 18222 6419 1 15 . 1 1 37 37 THR N N 37 116.980 116.980 115.917 1.063 18222 6420 1 15 . 1 1 37 37 THR HA H 37 4.050 4.050 4.009 0.041 18222 6421 1 15 . 1 1 37 37 THR CA C 37 66.000 66.000 67.343 -1.343 18222 6422 1 15 . 1 1 37 37 THR CB C 37 68.270 68.270 68.920 -0.650 18222 6423 1 15 . 1 1 37 37 THR H H 37 8.520 8.520 8.341 0.179 18222 6424 1 15 . 1 1 38 38 PHE N N 38 123.090 123.090 121.500 1.590 18222 6425 1 15 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.220 0.141 18222 6426 1 15 . 1 1 38 38 PHE CA C 38 61.140 61.140 60.781 0.359 18222 6427 1 15 . 1 1 38 38 PHE CB C 38 41.200 41.200 39.407 1.792 18222 6428 1 15 . 1 1 38 38 PHE H H 38 8.010 8.010 7.989 0.021 18222 6429 1 15 . 1 1 39 39 VAL N N 39 117.280 117.280 114.372 2.908 18222 6430 1 15 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.695 0.515 18222 6431 1 15 . 1 1 39 39 VAL CA C 39 66.000 66.000 64.618 1.382 18222 6432 1 15 . 1 1 39 39 VAL CB C 39 30.860 30.860 31.787 -0.927 18222 6433 1 15 . 1 1 39 39 VAL H H 39 8.530 8.530 8.402 0.128 18222 6434 1 15 . 1 1 40 40 THR N N 40 109.470 109.470 115.702 -6.232 18222 6435 1 15 . 1 1 40 40 THR HA H 40 4.060 4.060 4.056 0.004 18222 6436 1 15 . 1 1 40 40 THR CA C 40 63.390 63.390 65.362 -1.972 18222 6437 1 15 . 1 1 40 40 THR CB C 40 68.650 68.650 69.202 -0.552 18222 6438 1 15 . 1 1 40 40 THR H H 40 7.700 7.700 8.010 -0.310 18222 6439 1 15 . 1 1 41 41 GLY N N 41 110.770 110.770 108.153 2.617 18222 6440 1 15 . 1 1 41 41 GLY CA C 41 45.580 45.580 46.148 -0.568 18222 6441 1 15 . 1 1 41 41 GLY H H 41 7.700 7.700 8.396 -0.696 18222 6442 1 15 . 1 1 42 42 THR N N 42 114.520 114.520 112.987 1.533 18222 6443 1 15 . 1 1 42 42 THR CA C 42 63.300 63.300 61.066 2.234 18222 6444 1 15 . 1 1 42 42 THR CB C 42 69.490 69.490 68.338 1.152 18222 6445 1 15 . 1 1 42 42 THR H H 42 7.720 7.720 7.994 -0.274 18222 6446 1 15 . 1 1 43 43 GLY N N 43 109.540 109.540 110.525 -0.985 18222 6447 1 15 . 1 1 43 43 GLY CA C 43 46.250 46.250 46.642 -0.391 18222 6448 1 15 . 1 1 43 43 GLY H H 43 8.110 8.110 8.602 -0.492 18222 6449 1 15 . 1 1 44 44 MET N N 44 120.240 120.240 120.159 0.081 18222 6450 1 15 . 1 1 44 44 MET HA H 44 4.100 4.100 4.200 -0.100 18222 6451 1 15 . 1 1 44 44 MET CA C 44 57.700 57.700 58.438 -0.738 18222 6452 1 15 . 1 1 44 44 MET CB C 44 32.030 32.030 31.497 0.533 18222 6453 1 15 . 1 1 44 44 MET H H 44 7.730 7.730 7.849 -0.119 18222 6454 1 15 . 1 1 45 45 ALA N N 45 121.560 121.560 122.841 -1.281 18222 6455 1 15 . 1 1 45 45 ALA CA C 45 54.440 54.440 54.685 -0.245 18222 6456 1 15 . 1 1 45 45 ALA CB C 45 17.400 17.400 17.879 -0.479 18222 6457 1 15 . 1 1 45 45 ALA H H 45 7.950 7.950 7.622 0.328 18222 6458 1 15 . 1 1 46 46 PHE N N 46 118.260 118.260 118.253 0.007 18222 6459 1 15 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.241 -0.311 18222 6460 1 15 . 1 1 46 46 PHE CA C 46 59.820 59.820 61.590 -1.770 18222 6461 1 15 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.702 -0.442 18222 6462 1 15 . 1 1 46 46 PHE H H 46 7.860 7.860 7.793 0.067 18222 6463 1 15 . 1 1 47 47 GLY N N 47 107.300 107.300 108.253 -0.953 18222 6464 1 15 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.123 -0.563 18222 6465 1 15 . 1 1 47 47 GLY H H 47 8.200 8.200 8.730 -0.530 18222 6466 1 15 . 1 1 48 48 LEU N N 48 121.920 121.920 122.982 -1.062 18222 6467 1 15 . 1 1 48 48 LEU HA H 48 4.040 4.040 3.929 0.111 18222 6468 1 15 . 1 1 48 48 LEU CA C 48 57.580 57.580 58.116 -0.536 18222 6469 1 15 . 1 1 48 48 LEU CB C 48 40.790 40.790 41.972 -1.182 18222 6470 1 15 . 1 1 48 48 LEU H H 48 8.180 8.180 8.293 -0.113 18222 6471 1 15 . 1 1 49 49 GLN N N 49 118.270 118.270 118.455 -0.185 18222 6472 1 15 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.936 -0.106 18222 6473 1 15 . 1 1 49 49 GLN CA C 49 58.880 58.880 59.191 -0.311 18222 6474 1 15 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.585 -1.345 18222 6475 1 15 . 1 1 49 49 GLN H H 49 8.080 8.080 8.127 -0.047 18222 6476 1 15 . 1 1 50 50 MET N N 50 117.630 117.630 119.832 -2.202 18222 6477 1 15 . 1 1 50 50 MET HA H 50 4.010 4.010 4.251 -0.241 18222 6478 1 15 . 1 1 50 50 MET CA C 50 57.730 57.730 58.029 -0.299 18222 6479 1 15 . 1 1 50 50 MET CB C 50 27.160 27.160 32.515 -5.355 18222 6480 1 15 . 1 1 50 50 MET H H 50 7.880 7.880 8.055 -0.175 18222 6481 1 15 . 1 1 51 51 PHE N N 51 119.550 119.550 119.891 -0.341 18222 6482 1 15 . 1 1 51 51 PHE CA C 51 60.850 60.850 62.191 -1.341 18222 6483 1 15 . 1 1 51 51 PHE CB C 51 38.720 38.720 39.110 -0.390 18222 6484 1 15 . 1 1 51 51 PHE H H 51 7.890 7.890 8.325 -0.435 18222 6485 1 15 . 1 1 52 52 ILE N N 52 117.950 117.950 118.093 -0.143 18222 6486 1 15 . 1 1 52 52 ILE HA H 52 4.050 4.050 3.737 0.313 18222 6487 1 15 . 1 1 52 52 ILE CA C 52 63.560 63.560 64.668 -1.108 18222 6488 1 15 . 1 1 52 52 ILE CB C 52 36.810 36.810 38.066 -1.256 18222 6489 1 15 . 1 1 52 52 ILE H H 52 8.110 8.110 8.207 -0.097 18222 6490 1 15 . 1 1 53 53 GLN N N 53 117.360 117.360 119.702 -2.342 18222 6491 1 15 . 1 1 53 53 GLN CA C 53 57.200 57.200 58.402 -1.202 18222 6492 1 15 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.443 -0.573 18222 6493 1 15 . 1 1 53 53 GLN H H 53 7.930 7.930 8.254 -0.324 18222 6494 1 15 . 1 1 54 54 ARG N N 54 116.840 116.840 118.973 -2.133 18222 6495 1 15 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.147 -0.197 18222 6496 1 15 . 1 1 54 54 ARG CA C 54 56.480 56.480 57.935 -1.455 18222 6497 1 15 . 1 1 54 54 ARG CB C 54 28.970 28.970 29.862 -0.892 18222 6498 1 15 . 1 1 54 54 ARG H H 54 7.540 7.540 7.765 -0.225 18222 6499 1 15 . 1 1 55 55 LYS N N 55 117.900 117.900 117.634 0.266 18222 6500 1 15 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.166 -0.086 18222 6501 1 15 . 1 1 55 55 LYS CA C 55 55.030 55.030 57.032 -2.002 18222 6502 1 15 . 1 1 55 55 LYS CB C 55 32.010 32.010 32.972 -0.962 18222 6503 1 15 . 1 1 55 55 LYS H H 55 7.660 7.660 7.308 0.352 18222 6504 1 15 . 1 1 56 56 PHE N N 56 121.060 121.060 121.027 0.033 18222 6505 1 15 . 1 1 56 56 PHE CA C 56 55.190 55.190 55.104 0.086 18222 6506 1 15 . 1 1 56 56 PHE CB C 56 38.970 38.970 40.118 -1.148 18222 6507 1 15 . 1 1 56 56 PHE H H 56 8.080 8.080 7.864 0.216 18222 6508 1 15 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.363 -0.973 18222 6509 1 15 . 1 1 57 57 PRO CB C 57 30.580 30.580 30.363 0.217 18222 6510 1 15 . 1 1 58 58 TYR N N 58 120.240 120.240 124.941 -4.701 18222 6511 1 15 . 1 1 58 58 TYR CA C 58 55.770 55.770 55.153 0.617 18222 6512 1 15 . 1 1 58 58 TYR CB C 58 40.220 40.220 40.840 -0.620 18222 6513 1 15 . 1 1 58 58 TYR H H 58 7.700 7.700 7.929 -0.229 18222 6514 1 15 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.778 -1.648 18222 6515 1 15 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.017 1.323 18222 6516 1 15 . 1 1 60 60 LEU N N 60 122.210 122.210 120.606 1.604 18222 6517 1 15 . 1 1 60 60 LEU CA C 60 54.250 54.250 54.636 -0.386 18222 6518 1 15 . 1 1 60 60 LEU CB C 60 41.470 41.470 42.692 -1.222 18222 6519 1 15 . 1 1 60 60 LEU H H 60 7.880 7.880 7.727 0.153 18222 6520 1 15 . 1 1 61 61 GLN N N 61 122.470 122.470 120.117 2.353 18222 6521 1 15 . 1 1 61 61 GLN CA C 61 54.170 54.170 55.589 -1.419 18222 6522 1 15 . 1 1 61 61 GLN H H 61 7.970 7.970 8.241 -0.271 18222 6523 1 15 . 1 1 62 62 TRP N N 62 124.590 124.590 124.587 0.003 18222 6524 1 15 . 1 1 62 62 TRP CA C 62 59.830 59.830 60.131 -0.301 18222 6525 1 15 . 1 1 62 62 TRP CB C 62 28.800 28.800 29.097 -0.297 18222 6526 1 15 . 1 1 62 62 TRP H H 62 8.240 8.240 8.922 -0.682 18222 6527 1 15 . 1 1 63 63 SER N N 63 113.320 113.320 115.182 -1.862 18222 6528 1 15 . 1 1 63 63 SER CA C 63 61.100 61.100 60.775 0.325 18222 6529 1 15 . 1 1 63 63 SER H H 63 8.410 8.410 7.676 0.734 18222 6530 1 15 . 1 1 64 64 LEU N N 64 123.230 123.230 123.144 0.086 18222 6531 1 15 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.343 -0.463 18222 6532 1 15 . 1 1 64 64 LEU CB C 64 40.830 40.830 41.145 -0.315 18222 6533 1 15 . 1 1 64 64 LEU H H 64 7.230 7.230 7.864 -0.634 18222 6534 1 15 . 1 1 65 65 LEU N N 65 119.400 119.400 121.038 -1.638 18222 6535 1 15 . 1 1 65 65 LEU HA H 65 3.890 3.890 4.142 -0.252 18222 6536 1 15 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.252 -0.672 18222 6537 1 15 . 1 1 65 65 LEU CB C 65 40.710 40.710 40.941 -0.231 18222 6538 1 15 . 1 1 65 65 LEU H H 65 7.510 7.510 8.756 -1.246 18222 6539 1 15 . 1 1 66 66 VAL N N 66 116.950 116.950 119.528 -2.578 18222 6540 1 15 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.847 0.113 18222 6541 1 15 . 1 1 66 66 VAL CA C 66 66.260 66.260 65.344 0.916 18222 6542 1 15 . 1 1 66 66 VAL CB C 66 30.570 30.570 30.887 -0.317 18222 6543 1 15 . 1 1 66 66 VAL H H 66 7.950 7.950 8.545 -0.595 18222 6544 1 15 . 1 1 67 67 ALA N N 67 120.650 120.650 122.733 -2.083 18222 6545 1 15 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.061 -0.061 18222 6546 1 15 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.229 -0.449 18222 6547 1 15 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.323 -0.883 18222 6548 1 15 . 1 1 67 67 ALA H H 67 7.450 7.450 8.124 -0.674 18222 6549 1 15 . 1 1 68 68 VAL N N 68 118.440 118.440 118.672 -0.232 18222 6550 1 15 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.732 0.018 18222 6551 1 15 . 1 1 68 68 VAL CA C 68 65.250 65.250 66.006 -0.756 18222 6552 1 15 . 1 1 68 68 VAL CB C 68 30.850 30.850 31.374 -0.524 18222 6553 1 15 . 1 1 68 68 VAL H H 68 7.960 7.960 7.847 0.113 18222 6554 1 15 . 1 1 69 69 VAL N N 69 120.800 120.800 120.897 -0.097 18222 6555 1 15 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.635 0.585 18222 6556 1 15 . 1 1 69 69 VAL CA C 69 66.020 66.020 67.576 -1.556 18222 6557 1 15 . 1 1 69 69 VAL CB C 69 30.850 30.850 31.254 -0.404 18222 6558 1 15 . 1 1 69 69 VAL H H 69 8.080 8.080 8.557 -0.477 18222 6559 1 15 . 1 1 70 70 ALA N N 70 121.740 121.740 120.562 1.178 18222 6560 1 15 . 1 1 70 70 ALA HA H 70 3.920 3.920 3.984 -0.064 18222 6561 1 15 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.140 -0.220 18222 6562 1 15 . 1 1 70 70 ALA CB C 70 17.620 17.620 17.674 -0.054 18222 6563 1 15 . 1 1 70 70 ALA H H 70 8.660 8.660 8.400 0.260 18222 6564 1 15 . 1 1 71 71 GLY N N 71 103.450 103.450 107.258 -3.808 18222 6565 1 15 . 1 1 71 71 GLY CA C 71 46.300 46.300 46.906 -0.606 18222 6566 1 15 . 1 1 71 71 GLY H H 71 8.010 8.010 7.928 0.082 18222 6567 1 15 . 1 1 72 72 SER N N 72 118.160 118.160 117.711 0.449 18222 6568 1 15 . 1 1 72 72 SER CA C 72 61.260 61.260 61.809 -0.549 18222 6569 1 15 . 1 1 72 72 SER CB C 72 62.870 62.870 63.234 -0.364 18222 6570 1 15 . 1 1 72 72 SER H H 72 7.870 7.870 8.072 -0.202 18222 6571 1 15 . 1 1 73 73 VAL N N 73 121.340 121.340 122.456 -1.116 18222 6572 1 15 . 1 1 73 73 VAL CA C 73 65.750 65.750 66.547 -0.797 18222 6573 1 15 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.436 -0.696 18222 6574 1 15 . 1 1 73 73 VAL H H 73 8.050 8.050 8.302 -0.252 18222 6575 1 15 . 1 1 74 74 VAL N N 74 118.680 118.680 118.629 0.051 18222 6576 1 15 . 1 1 74 74 VAL CA C 74 65.770 65.770 66.246 -0.476 18222 6577 1 15 . 1 1 74 74 VAL CB C 74 30.740 30.740 31.466 -0.726 18222 6578 1 15 . 1 1 74 74 VAL H H 74 7.880 7.880 8.630 -0.750 18222 6579 1 15 . 1 1 75 75 SER N N 75 114.750 114.750 116.736 -1.986 18222 6580 1 15 . 1 1 75 75 SER HA H 75 4.100 4.100 4.170 -0.070 18222 6581 1 15 . 1 1 75 75 SER CA C 75 60.870 60.870 61.456 -0.586 18222 6582 1 15 . 1 1 75 75 SER CB C 75 62.340 62.340 62.848 -0.508 18222 6583 1 15 . 1 1 75 75 SER H H 75 7.870 7.870 7.961 -0.091 18222 6584 1 15 . 1 1 76 76 TYR N N 76 121.110 121.110 121.475 -0.365 18222 6585 1 15 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.405 -1.355 18222 6586 1 15 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.337 -0.357 18222 6587 1 15 . 1 1 76 76 TYR H H 76 7.860 7.860 8.750 -0.890 18222 6588 1 15 . 1 1 77 77 GLY N N 77 107.300 107.300 107.237 0.063 18222 6589 1 15 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.519 -0.959 18222 6590 1 15 . 1 1 77 77 GLY H H 77 8.200 8.200 8.643 -0.443 18222 6591 1 15 . 1 1 78 78 VAL N N 78 119.470 119.470 121.282 -1.812 18222 6592 1 15 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.358 0.811 18222 6593 1 15 . 1 1 78 78 VAL CA C 78 64.650 64.650 65.371 -0.720 18222 6594 1 15 . 1 1 78 78 VAL H H 78 8.140 8.140 8.359 -0.219 18222 6595 1 15 . 1 1 79 79 THR N N 79 112.100 112.100 117.221 -5.121 18222 6596 1 15 . 1 1 79 79 THR CA C 79 63.460 63.460 66.439 -2.978 18222 6597 1 15 . 1 1 79 79 THR CB C 79 68.650 68.650 68.570 0.080 18222 6598 1 15 . 1 1 79 79 THR H H 79 7.640 7.640 7.890 -0.250 18222 6599 1 15 . 1 1 80 80 ARG N N 80 120.770 120.770 122.008 -1.238 18222 6600 1 15 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.180 -0.020 18222 6601 1 15 . 1 1 80 80 ARG CA C 80 56.790 56.790 59.350 -2.560 18222 6602 1 15 . 1 1 80 80 ARG CB C 80 29.430 29.430 30.183 -0.753 18222 6603 1 15 . 1 1 80 80 ARG H H 80 7.680 7.680 8.097 -0.417 18222 6604 1 15 . 1 1 81 81 VAL N N 81 118.370 118.370 117.502 0.868 18222 6605 1 15 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.836 0.084 18222 6606 1 15 . 1 1 81 81 VAL CA C 81 63.340 63.340 66.837 -3.497 18222 6607 1 15 . 1 1 81 81 VAL CB C 81 31.260 31.260 30.979 0.281 18222 6608 1 15 . 1 1 81 81 VAL H H 81 7.730 7.730 8.307 -0.577 18222 6609 1 15 . 1 1 82 82 GLU N N 82 120.620 120.620 120.476 0.144 18222 6610 1 15 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.297 -2.977 18222 6611 1 15 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.126 -1.196 18222 6612 1 15 . 1 1 82 82 GLU H H 82 7.920 7.920 8.444 -0.524 18222 6613 1 15 . 1 1 83 83 SER N N 83 116.240 116.240 115.937 0.303 18222 6614 1 15 . 1 1 83 83 SER CA C 83 59.250 59.250 61.851 -2.601 18222 6615 1 15 . 1 1 83 83 SER CB C 83 63.160 63.160 63.117 0.043 18222 6616 1 15 . 1 1 83 83 SER H H 83 7.960 7.960 8.048 -0.088 18222 6617 1 15 . 1 1 84 84 GLU N N 84 123.280 123.280 122.186 1.094 18222 6618 1 15 . 1 1 84 84 GLU HA H 84 4.080 4.080 4.025 0.055 18222 6619 1 15 . 1 1 84 84 GLU CA C 84 57.860 57.860 59.798 -1.938 18222 6620 1 15 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.797 -1.607 18222 6621 1 15 . 1 1 84 84 GLU H H 84 8.470 8.470 8.071 0.399 18222 6622 1 15 . 1 1 85 85 LYS N N 85 118.650 118.650 119.596 -0.946 18222 6623 1 15 . 1 1 85 85 LYS HA H 85 4.100 4.100 4.068 0.032 18222 6624 1 15 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.699 -1.919 18222 6625 1 15 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.207 -0.827 18222 6626 1 15 . 1 1 85 85 LYS H H 85 7.940 7.940 8.493 -0.553 18222 6627 1 15 . 1 1 86 86 CYS N N 86 117.070 117.070 118.625 -1.555 18222 6628 1 15 . 1 1 86 86 CYS CA C 86 60.910 60.910 63.361 -2.450 18222 6629 1 15 . 1 1 86 86 CYS CB C 86 26.740 26.740 27.574 -0.834 18222 6630 1 15 . 1 1 86 86 CYS H H 86 7.840 7.840 8.278 -0.438 18222 6631 1 15 . 1 1 87 87 ASN N N 87 119.370 119.370 119.126 0.244 18222 6632 1 15 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.536 -0.406 18222 6633 1 15 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.352 -0.602 18222 6634 1 15 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.109 -0.059 18222 6635 1 15 . 1 1 87 87 ASN H H 87 8.110 8.110 8.354 -0.244 18222 6636 1 15 . 1 1 88 88 ASN N N 88 117.570 117.570 119.331 -1.761 18222 6637 1 15 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.638 -0.358 18222 6638 1 15 . 1 1 88 88 ASN CA C 88 55.190 55.190 56.285 -1.095 18222 6639 1 15 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.541 -1.141 18222 6640 1 15 . 1 1 88 88 ASN H H 88 8.280 8.280 8.412 -0.132 18222 6641 1 15 . 1 1 89 89 LEU N N 89 121.940 121.940 121.047 0.893 18222 6642 1 15 . 1 1 89 89 LEU HA H 89 4.070 4.070 4.161 -0.091 18222 6643 1 15 . 1 1 89 89 LEU CA C 89 57.580 57.580 58.462 -0.882 18222 6644 1 15 . 1 1 89 89 LEU CB C 89 40.490 40.490 40.849 -0.359 18222 6645 1 15 . 1 1 89 89 LEU H H 89 7.790 7.790 8.558 -0.768 18222 6646 1 15 . 1 1 90 90 TRP N N 90 119.220 119.220 121.956 -2.736 18222 6647 1 15 . 1 1 90 90 TRP CA C 90 59.120 59.120 61.772 -2.652 18222 6648 1 15 . 1 1 90 90 TRP CB C 90 28.800 28.800 29.076 -0.277 18222 6649 1 15 . 1 1 90 90 TRP H H 90 7.850 7.850 8.427 -0.577 18222 6650 1 15 . 1 1 91 91 LEU N N 91 117.870 117.870 120.277 -2.407 18222 6651 1 15 . 1 1 91 91 LEU CA C 91 57.300 57.300 58.510 -1.210 18222 6652 1 15 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.870 -1.260 18222 6653 1 15 . 1 1 91 91 LEU H H 91 7.920 7.920 8.187 -0.267 18222 6654 1 15 . 1 1 92 92 PHE N N 92 121.280 121.280 116.946 4.334 18222 6655 1 15 . 1 1 92 92 PHE CA C 92 60.390 60.390 62.029 -1.639 18222 6656 1 15 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.848 -0.868 18222 6657 1 15 . 1 1 92 92 PHE H H 92 7.860 7.860 8.347 -0.487 18222 6658 1 15 . 1 1 93 93 LEU N N 93 119.860 119.860 120.489 -0.629 18222 6659 1 15 . 1 1 93 93 LEU CA C 93 56.860 56.860 58.313 -1.453 18222 6660 1 15 . 1 1 93 93 LEU CB C 93 40.550 40.550 41.694 -1.144 18222 6661 1 15 . 1 1 93 93 LEU H H 93 7.980 7.980 8.679 -0.699 18222 6662 1 15 . 1 1 94 94 GLU N N 94 114.660 114.660 117.324 -2.664 18222 6663 1 15 . 1 1 94 94 GLU HA H 94 3.810 3.810 3.973 -0.163 18222 6664 1 15 . 1 1 94 94 GLU CA C 94 57.210 57.210 58.612 -1.402 18222 6665 1 15 . 1 1 94 94 GLU CB C 94 28.470 28.470 29.398 -0.928 18222 6666 1 15 . 1 1 94 94 GLU H H 94 7.890 7.890 8.139 -0.249 18222 6667 1 15 . 1 1 95 95 THR N N 95 108.260 108.260 111.986 -3.726 18222 6668 1 15 . 1 1 95 95 THR CA C 95 62.150 62.150 62.578 -0.428 18222 6669 1 15 . 1 1 95 95 THR CB C 95 70.810 70.810 69.715 1.095 18222 6670 1 15 . 1 1 95 95 THR H H 95 7.690 7.690 7.924 -0.234 18222 6671 1 15 . 1 1 96 96 GLY N N 96 112.220 112.220 110.083 2.137 18222 6672 1 15 . 1 1 96 96 GLY CA C 96 45.410 45.410 45.337 0.073 18222 6673 1 15 . 1 1 96 96 GLY H H 96 8.240 8.240 7.706 0.534 18222 6674 1 15 . 1 1 97 97 GLN N N 97 117.950 117.950 120.749 -2.799 18222 6675 1 15 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.431 -0.231 18222 6676 1 15 . 1 1 97 97 GLN CA C 97 54.430 54.430 55.045 -0.615 18222 6677 1 15 . 1 1 97 97 GLN CB C 97 29.910 29.910 29.708 0.202 18222 6678 1 15 . 1 1 97 97 GLN H H 97 7.640 7.640 7.607 0.033 18222 6679 1 15 . 1 1 98 98 LEU N N 98 123.810 123.810 128.683 -4.873 18222 6680 1 15 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.602 -0.242 18222 6681 1 15 . 1 1 98 98 LEU CA C 98 52.650 52.650 53.727 -1.077 18222 6682 1 15 . 1 1 98 98 LEU CB C 98 40.460 40.460 41.897 -1.437 18222 6683 1 15 . 1 1 98 98 LEU H H 98 8.270 8.270 8.611 -0.341 18222 6684 1 15 . 1 1 99 99 PRO CA C 99 63.180 63.180 63.538 -0.358 18222 6685 1 15 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.101 -1.261 18222 6686 1 15 . 1 1 100 100 LYS N N 100 120.630 120.630 116.976 3.654 18222 6687 1 15 . 1 1 100 100 LYS CA C 100 55.730 55.730 55.400 0.330 18222 6688 1 15 . 1 1 100 100 LYS CB C 100 32.280 32.280 34.940 -2.660 18222 6689 1 15 . 1 1 100 100 LYS H H 100 8.090 8.090 7.724 0.366 18222 6690 1 15 . 1 1 101 101 ASP N N 101 120.920 120.920 120.673 0.247 18222 6691 1 15 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.822 -0.632 18222 6692 1 15 . 1 1 101 101 ASP CA C 101 54.000 54.000 53.745 0.255 18222 6693 1 15 . 1 1 101 101 ASP CB C 101 40.330 40.330 41.722 -1.392 18222 6694 1 15 . 1 1 101 101 ASP H H 101 8.190 8.190 8.439 -0.249 18222 6695 1 15 . 1 1 102 102 ARG N N 102 122.210 122.210 123.214 -1.004 18222 6696 1 15 . 1 1 102 102 ARG CA C 102 55.590 55.590 57.042 -1.452 18222 6697 1 15 . 1 1 102 102 ARG CB C 102 29.630 29.630 31.497 -1.867 18222 6698 1 15 . 1 1 102 102 ARG H H 102 8.130 8.130 8.599 -0.469 18222 6699 1 15 . 1 1 103 103 SER N N 103 117.230 117.230 116.652 0.578 18222 6700 1 15 . 1 1 103 103 SER HA H 103 4.280 4.280 4.826 -0.546 18222 6701 1 15 . 1 1 103 103 SER CA C 103 58.470 58.470 58.359 0.111 18222 6702 1 15 . 1 1 103 103 SER CB C 103 63.080 63.080 64.974 -1.894 18222 6703 1 15 . 1 1 103 103 SER H H 103 8.290 8.290 8.270 0.020 18222 6704 1 15 . 1 1 104 104 THR N N 104 115.430 115.430 116.519 -1.089 18222 6705 1 15 . 1 1 104 104 THR CA C 104 61.570 61.570 61.895 -0.325 18222 6706 1 15 . 1 1 104 104 THR CB C 104 69.030 69.030 69.852 -0.822 18222 6707 1 15 . 1 1 104 104 THR H H 104 8.020 8.020 8.018 0.002 18222 6708 1 15 . 1 1 105 105 ASP N N 105 122.780 122.780 121.321 1.459 18222 6709 1 15 . 1 1 105 105 ASP CA C 105 54.210 54.210 54.992 -0.782 18222 6710 1 15 . 1 1 105 105 ASP CB C 105 40.380 40.380 41.429 -1.049 18222 6711 1 15 . 1 1 105 105 ASP H H 105 8.120 8.120 8.647 -0.527 18222 6712 1 15 . 1 1 106 106 GLN N N 106 120.960 120.960 117.429 3.531 18222 6713 1 15 . 1 1 106 106 GLN CA C 106 55.420 55.420 55.181 0.239 18222 6714 1 15 . 1 1 106 106 GLN CB C 106 28.310 28.310 30.876 -2.566 18222 6715 1 15 . 1 1 106 106 GLN H H 106 8.140 8.140 8.045 0.095 18222 6716 1 15 . 1 1 107 107 ARG N N 107 123.010 123.010 120.719 2.291 18222 6717 1 15 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.420 -0.210 18222 6718 1 15 . 1 1 107 107 ARG CA C 107 55.560 55.560 56.899 -1.339 18222 6719 1 15 . 1 1 107 107 ARG CB C 107 29.920 29.920 30.707 -0.787 18222 6720 1 15 . 1 1 107 107 ARG H H 107 8.180 8.180 8.536 -0.356 18222 6721 1 16 . 1 1 2 2 VAL N N 2 121.590 121.590 124.164 -2.574 18222 6722 1 16 . 1 1 2 2 VAL CA C 2 61.600 61.600 61.402 0.198 18222 6723 1 16 . 1 1 2 2 VAL CB C 2 31.900 31.900 32.647 -0.747 18222 6724 1 16 . 1 1 2 2 VAL H H 2 8.010 8.010 8.427 -0.417 18222 6725 1 16 . 1 1 3 3 ASN N N 3 122.520 122.520 122.500 0.020 18222 6726 1 16 . 1 1 3 3 ASN HA H 3 4.020 4.020 4.394 -0.374 18222 6727 1 16 . 1 1 3 3 ASN CA C 3 52.640 52.640 53.709 -1.069 18222 6728 1 16 . 1 1 3 3 ASN CB C 3 38.330 38.330 38.650 -0.320 18222 6729 1 16 . 1 1 3 3 ASN H H 3 8.360 8.360 8.596 -0.236 18222 6730 1 16 . 1 1 4 4 LEU N N 4 123.830 123.830 118.172 5.658 18222 6731 1 16 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.069 0.151 18222 6732 1 16 . 1 1 4 4 LEU CA C 4 54.620 54.620 55.498 -0.878 18222 6733 1 16 . 1 1 4 4 LEU CB C 4 41.680 41.680 41.063 0.617 18222 6734 1 16 . 1 1 4 4 LEU H H 4 8.220 8.220 8.482 -0.262 18222 6735 1 16 . 1 1 5 5 GLY N N 5 106.810 106.810 107.617 -0.807 18222 6736 1 16 . 1 1 5 5 GLY CA C 5 45.800 45.800 44.799 1.001 18222 6737 1 16 . 1 1 5 5 GLY H H 5 8.030 8.030 8.054 -0.024 18222 6738 1 16 . 1 1 6 6 LEU N N 6 120.820 120.820 121.453 -0.633 18222 6739 1 16 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.436 -0.386 18222 6740 1 16 . 1 1 6 6 LEU CA C 6 55.990 55.990 57.197 -1.207 18222 6741 1 16 . 1 1 6 6 LEU CB C 6 40.800 40.800 42.118 -1.318 18222 6742 1 16 . 1 1 6 6 LEU H H 6 8.030 8.030 8.208 -0.178 18222 6743 1 16 . 1 1 7 7 SER N N 7 115.540 115.540 115.756 -0.216 18222 6744 1 16 . 1 1 7 7 SER HA H 7 4.100 4.100 4.171 -0.071 18222 6745 1 16 . 1 1 7 7 SER CA C 7 60.580 60.580 61.679 -1.099 18222 6746 1 16 . 1 1 7 7 SER CB C 7 62.060 62.060 62.828 -0.768 18222 6747 1 16 . 1 1 7 7 SER H H 7 8.360 8.360 8.225 0.135 18222 6748 1 16 . 1 1 8 8 ARG N N 8 120.690 120.690 120.327 0.363 18222 6749 1 16 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.036 0.124 18222 6750 1 16 . 1 1 8 8 ARG CA C 8 57.350 57.350 59.383 -2.033 18222 6751 1 16 . 1 1 8 8 ARG CB C 8 29.230 29.230 29.828 -0.599 18222 6752 1 16 . 1 1 8 8 ARG H H 8 7.830 7.830 8.370 -0.540 18222 6753 1 16 . 1 1 9 9 VAL N N 9 119.330 119.330 119.182 0.148 18222 6754 1 16 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.766 0.404 18222 6755 1 16 . 1 1 9 9 VAL CA C 9 64.720 64.720 65.842 -1.122 18222 6756 1 16 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.475 -0.575 18222 6757 1 16 . 1 1 9 9 VAL H H 9 7.620 7.620 7.452 0.168 18222 6758 1 16 . 1 1 10 10 ASP N N 10 119.520 119.520 120.031 -0.511 18222 6759 1 16 . 1 1 10 10 ASP CA C 10 54.960 54.960 57.721 -2.761 18222 6760 1 16 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.825 -3.025 18222 6761 1 16 . 1 1 10 10 ASP H H 10 8.180 8.180 8.141 0.039 18222 6762 1 16 . 1 1 11 11 ASP N N 11 121.550 121.550 120.614 0.936 18222 6763 1 16 . 1 1 11 11 ASP CA C 11 54.440 54.440 56.999 -2.559 18222 6764 1 16 . 1 1 11 11 ASP CB C 11 37.840 37.840 40.770 -2.930 18222 6765 1 16 . 1 1 11 11 ASP H H 11 7.950 7.950 8.121 -0.171 18222 6766 1 16 . 1 1 12 12 ALA N N 12 120.220 120.220 122.875 -2.655 18222 6767 1 16 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.145 -0.775 18222 6768 1 16 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.397 6.333 18222 6769 1 16 . 1 1 12 12 ALA H H 12 8.090 8.090 8.110 -0.020 18222 6770 1 16 . 1 1 13 13 VAL N N 13 116.910 116.910 117.638 -0.728 18222 6771 1 16 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.715 0.425 18222 6772 1 16 . 1 1 13 13 VAL CA C 13 64.900 64.900 65.218 -0.318 18222 6773 1 16 . 1 1 13 13 VAL CB C 13 31.000 31.000 31.851 -0.851 18222 6774 1 16 . 1 1 13 13 VAL H H 13 7.980 7.980 8.330 -0.350 18222 6775 1 16 . 1 1 14 14 ALA N N 14 122.200 122.200 122.890 -0.690 18222 6776 1 16 . 1 1 14 14 ALA HA H 14 4.020 4.020 4.083 -0.063 18222 6777 1 16 . 1 1 14 14 ALA CA C 14 53.800 53.800 54.549 -0.749 18222 6778 1 16 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.419 -0.629 18222 6779 1 16 . 1 1 14 14 ALA H H 14 8.030 8.030 7.850 0.180 18222 6780 1 16 . 1 1 15 15 ALA N N 15 118.600 118.600 119.671 -1.071 18222 6781 1 16 . 1 1 15 15 ALA CA C 15 53.230 53.230 53.703 -0.473 18222 6782 1 16 . 1 1 15 15 ALA CB C 15 18.010 18.010 19.292 -1.282 18222 6783 1 16 . 1 1 15 15 ALA H H 15 7.530 7.530 8.042 -0.512 18222 6784 1 16 . 1 1 16 16 LYS N N 16 115.820 115.820 117.092 -1.272 18222 6785 1 16 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.259 -0.179 18222 6786 1 16 . 1 1 16 16 LYS CA C 16 55.670 55.670 57.360 -1.690 18222 6787 1 16 . 1 1 16 16 LYS CB C 16 32.640 32.640 34.241 -1.601 18222 6788 1 16 . 1 1 16 16 LYS H H 16 7.490 7.490 7.978 -0.488 18222 6789 1 16 . 1 1 17 17 HIS N N 17 116.790 116.790 117.736 -0.946 18222 6790 1 16 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.949 -0.849 18222 6791 1 16 . 1 1 17 17 HIS CA C 17 52.820 52.820 53.223 -0.403 18222 6792 1 16 . 1 1 17 17 HIS CB C 17 28.400 28.400 31.008 -2.608 18222 6793 1 16 . 1 1 17 17 HIS H H 17 8.130 8.130 8.448 -0.318 18222 6794 1 16 . 1 1 18 18 PRO CA C 18 63.800 63.800 63.175 0.625 18222 6795 1 16 . 1 1 18 18 PRO CB C 18 30.800 30.800 30.199 0.601 18222 6796 1 16 . 1 1 19 19 GLY N N 19 110.260 110.260 108.530 1.730 18222 6797 1 16 . 1 1 19 19 GLY CA C 19 45.490 45.490 45.840 -0.350 18222 6798 1 16 . 1 1 19 19 GLY H H 19 8.730 8.730 7.907 0.823 18222 6799 1 16 . 1 1 20 20 LEU N N 20 122.650 122.650 122.541 0.109 18222 6800 1 16 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.532 -0.442 18222 6801 1 16 . 1 1 20 20 LEU CA C 20 57.060 57.060 55.684 1.376 18222 6802 1 16 . 1 1 20 20 LEU H H 20 7.980 7.980 8.499 -0.519 18222 6803 1 16 . 1 1 21 21 GLY N N 21 107.000 107.000 107.952 -0.952 18222 6804 1 16 . 1 1 21 21 GLY CA C 21 46.710 46.710 46.525 0.185 18222 6805 1 16 . 1 1 21 21 GLY H H 21 8.570 8.570 8.057 0.513 18222 6806 1 16 . 1 1 22 22 GLU N N 22 121.610 121.610 121.944 -0.334 18222 6807 1 16 . 1 1 22 22 GLU HA H 22 3.990 3.990 4.078 -0.088 18222 6808 1 16 . 1 1 22 22 GLU CA C 22 58.280 58.280 60.015 -1.735 18222 6809 1 16 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.737 -1.727 18222 6810 1 16 . 1 1 22 22 GLU H H 22 8.100 8.100 7.974 0.126 18222 6811 1 16 . 1 1 23 23 TYR N N 23 120.870 120.870 119.198 1.672 18222 6812 1 16 . 1 1 23 23 TYR CA C 23 60.380 60.380 61.062 -0.681 18222 6813 1 16 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.038 -0.289 18222 6814 1 16 . 1 1 23 23 TYR H H 23 7.910 7.910 7.600 0.310 18222 6815 1 16 . 1 1 24 24 ALA N N 24 121.420 121.420 121.307 0.113 18222 6816 1 16 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.927 0.213 18222 6817 1 16 . 1 1 24 24 ALA CA C 24 54.260 54.260 54.749 -0.489 18222 6818 1 16 . 1 1 24 24 ALA H H 24 8.410 8.410 8.674 -0.264 18222 6819 1 16 . 1 1 25 25 ALA N N 25 120.220 120.220 122.074 -1.854 18222 6820 1 16 . 1 1 25 25 ALA CA C 25 54.370 54.370 55.110 -0.740 18222 6821 1 16 . 1 1 25 25 ALA H H 25 8.090 8.090 8.300 -0.210 18222 6822 1 16 . 1 1 26 26 CYS N N 26 116.760 116.760 117.789 -1.029 18222 6823 1 16 . 1 1 26 26 CYS CA C 26 61.180 61.180 62.522 -1.342 18222 6824 1 16 . 1 1 26 26 CYS CB C 26 26.390 26.390 27.065 -0.675 18222 6825 1 16 . 1 1 26 26 CYS H H 26 7.950 7.950 8.288 -0.338 18222 6826 1 16 . 1 1 27 27 GLN N N 27 118.690 118.690 120.537 -1.847 18222 6827 1 16 . 1 1 27 27 GLN CA C 27 55.970 55.970 59.832 -3.862 18222 6828 1 16 . 1 1 27 27 GLN H H 27 8.060 8.060 8.139 -0.079 18222 6829 1 16 . 1 1 28 28 SER N N 28 115.490 115.490 114.933 0.557 18222 6830 1 16 . 1 1 28 28 SER HA H 28 3.990 3.990 4.239 -0.249 18222 6831 1 16 . 1 1 28 28 SER CA C 28 61.110 61.110 61.655 -0.545 18222 6832 1 16 . 1 1 28 28 SER H H 28 7.980 7.980 8.453 -0.473 18222 6833 1 16 . 1 1 29 29 HIS N N 29 120.880 120.880 121.409 -0.529 18222 6834 1 16 . 1 1 29 29 HIS CA C 29 58.190 58.190 59.244 -1.054 18222 6835 1 16 . 1 1 29 29 HIS CB C 29 27.460 27.460 30.231 -2.771 18222 6836 1 16 . 1 1 29 29 HIS H H 29 8.180 8.180 8.232 -0.052 18222 6837 1 16 . 1 1 30 30 ALA N N 30 122.920 122.920 122.955 -0.035 18222 6838 1 16 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.418 -0.858 18222 6839 1 16 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.478 -0.988 18222 6840 1 16 . 1 1 30 30 ALA H H 30 8.040 8.040 8.329 -0.289 18222 6841 1 16 . 1 1 31 31 PHE N N 31 119.340 119.340 118.985 0.355 18222 6842 1 16 . 1 1 31 31 PHE CA C 31 60.370 60.370 62.641 -2.271 18222 6843 1 16 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.282 -0.763 18222 6844 1 16 . 1 1 31 31 PHE H H 31 8.230 8.230 8.816 -0.586 18222 6845 1 16 . 1 1 32 32 MET N N 32 118.110 118.110 119.674 -1.564 18222 6846 1 16 . 1 1 32 32 MET HA H 32 4.050 4.050 4.047 0.003 18222 6847 1 16 . 1 1 32 32 MET CA C 32 58.280 58.280 59.744 -1.464 18222 6848 1 16 . 1 1 32 32 MET CB C 32 31.090 31.090 32.588 -1.498 18222 6849 1 16 . 1 1 32 32 MET H H 32 8.120 8.120 8.820 -0.700 18222 6850 1 16 . 1 1 33 33 LYS N N 33 119.040 119.040 119.666 -0.626 18222 6851 1 16 . 1 1 33 33 LYS HA H 33 3.930 3.930 3.945 -0.015 18222 6852 1 16 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.855 -0.815 18222 6853 1 16 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.380 -1.390 18222 6854 1 16 . 1 1 33 33 LYS H H 33 7.970 7.970 8.325 -0.355 18222 6855 1 16 . 1 1 34 34 GLY N N 34 108.840 108.840 106.990 1.850 18222 6856 1 16 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.148 -0.538 18222 6857 1 16 . 1 1 34 34 GLY H H 34 8.030 8.030 8.168 -0.138 18222 6858 1 16 . 1 1 35 35 VAL N N 35 122.910 122.910 122.725 0.185 18222 6859 1 16 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.603 0.617 18222 6860 1 16 . 1 1 35 35 VAL CA C 35 66.310 66.310 66.215 0.095 18222 6861 1 16 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.804 -1.244 18222 6862 1 16 . 1 1 35 35 VAL H H 35 8.090 8.090 8.477 -0.388 18222 6863 1 16 . 1 1 36 36 PHE N N 36 120.020 120.020 120.862 -0.842 18222 6864 1 16 . 1 1 36 36 PHE CA C 36 61.350 61.350 62.492 -1.142 18222 6865 1 16 . 1 1 36 36 PHE CB C 36 38.090 38.090 39.268 -1.178 18222 6866 1 16 . 1 1 36 36 PHE H H 36 8.350 8.350 8.822 -0.472 18222 6867 1 16 . 1 1 37 37 THR N N 37 116.980 116.980 116.354 0.626 18222 6868 1 16 . 1 1 37 37 THR HA H 37 4.050 4.050 3.978 0.072 18222 6869 1 16 . 1 1 37 37 THR CA C 37 66.000 66.000 66.835 -0.835 18222 6870 1 16 . 1 1 37 37 THR CB C 37 68.270 68.270 68.997 -0.727 18222 6871 1 16 . 1 1 37 37 THR H H 37 8.520 8.520 8.220 0.300 18222 6872 1 16 . 1 1 38 38 PHE N N 38 123.090 123.090 120.720 2.370 18222 6873 1 16 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.228 0.132 18222 6874 1 16 . 1 1 38 38 PHE CA C 38 61.140 61.140 61.242 -0.102 18222 6875 1 16 . 1 1 38 38 PHE CB C 38 41.200 41.200 39.309 1.891 18222 6876 1 16 . 1 1 38 38 PHE H H 38 8.010 8.010 8.052 -0.042 18222 6877 1 16 . 1 1 39 39 VAL N N 39 117.280 117.280 119.422 -2.142 18222 6878 1 16 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.590 0.620 18222 6879 1 16 . 1 1 39 39 VAL CA C 39 66.000 66.000 65.971 0.029 18222 6880 1 16 . 1 1 39 39 VAL CB C 39 30.860 30.860 31.695 -0.835 18222 6881 1 16 . 1 1 39 39 VAL H H 39 8.530 8.530 8.746 -0.216 18222 6882 1 16 . 1 1 40 40 THR N N 40 109.470 109.470 115.383 -5.913 18222 6883 1 16 . 1 1 40 40 THR HA H 40 4.060 4.060 4.237 -0.177 18222 6884 1 16 . 1 1 40 40 THR CA C 40 63.390 63.390 64.188 -0.798 18222 6885 1 16 . 1 1 40 40 THR CB C 40 68.650 68.650 67.848 0.802 18222 6886 1 16 . 1 1 40 40 THR H H 40 7.700 7.700 8.035 -0.335 18222 6887 1 16 . 1 1 41 41 GLY N N 41 110.770 110.770 110.505 0.265 18222 6888 1 16 . 1 1 41 41 GLY CA C 41 45.580 45.580 46.502 -0.922 18222 6889 1 16 . 1 1 41 41 GLY H H 41 7.700 7.700 8.317 -0.617 18222 6890 1 16 . 1 1 42 42 THR N N 42 114.520 114.520 114.452 0.068 18222 6891 1 16 . 1 1 42 42 THR CA C 42 63.300 63.300 61.682 1.618 18222 6892 1 16 . 1 1 42 42 THR CB C 42 69.490 69.490 68.236 1.254 18222 6893 1 16 . 1 1 42 42 THR H H 42 7.720 7.720 7.299 0.421 18222 6894 1 16 . 1 1 43 43 GLY N N 43 109.540 109.540 109.448 0.092 18222 6895 1 16 . 1 1 43 43 GLY CA C 43 46.250 46.250 46.708 -0.458 18222 6896 1 16 . 1 1 43 43 GLY H H 43 8.110 8.110 7.713 0.397 18222 6897 1 16 . 1 1 44 44 MET N N 44 120.240 120.240 120.877 -0.637 18222 6898 1 16 . 1 1 44 44 MET HA H 44 4.100 4.100 4.115 -0.015 18222 6899 1 16 . 1 1 44 44 MET CA C 44 57.700 57.700 58.504 -0.804 18222 6900 1 16 . 1 1 44 44 MET CB C 44 32.030 32.030 32.549 -0.519 18222 6901 1 16 . 1 1 44 44 MET H H 44 7.730 7.730 7.972 -0.242 18222 6902 1 16 . 1 1 45 45 ALA N N 45 121.560 121.560 121.782 -0.222 18222 6903 1 16 . 1 1 45 45 ALA CA C 45 54.440 54.440 55.089 -0.649 18222 6904 1 16 . 1 1 45 45 ALA CB C 45 17.400 17.400 17.785 -0.385 18222 6905 1 16 . 1 1 45 45 ALA H H 45 7.950 7.950 7.741 0.209 18222 6906 1 16 . 1 1 46 46 PHE N N 46 118.260 118.260 118.431 -0.171 18222 6907 1 16 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.139 -0.209 18222 6908 1 16 . 1 1 46 46 PHE CA C 46 59.820 59.820 61.546 -1.726 18222 6909 1 16 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.665 -0.405 18222 6910 1 16 . 1 1 46 46 PHE H H 46 7.860 7.860 8.273 -0.413 18222 6911 1 16 . 1 1 47 47 GLY N N 47 107.300 107.300 107.839 -0.539 18222 6912 1 16 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.251 -0.690 18222 6913 1 16 . 1 1 47 47 GLY H H 47 8.200 8.200 8.456 -0.256 18222 6914 1 16 . 1 1 48 48 LEU N N 48 121.920 121.920 123.221 -1.301 18222 6915 1 16 . 1 1 48 48 LEU HA H 48 4.040 4.040 3.938 0.102 18222 6916 1 16 . 1 1 48 48 LEU CA C 48 57.580 57.580 57.922 -0.342 18222 6917 1 16 . 1 1 48 48 LEU CB C 48 40.790 40.790 42.028 -1.238 18222 6918 1 16 . 1 1 48 48 LEU H H 48 8.180 8.180 8.524 -0.344 18222 6919 1 16 . 1 1 49 49 GLN N N 49 118.270 118.270 118.654 -0.384 18222 6920 1 16 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.989 -0.159 18222 6921 1 16 . 1 1 49 49 GLN CA C 49 58.880 58.880 58.824 0.056 18222 6922 1 16 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.457 -1.217 18222 6923 1 16 . 1 1 49 49 GLN H H 49 8.080 8.080 8.061 0.019 18222 6924 1 16 . 1 1 50 50 MET N N 50 117.630 117.630 119.929 -2.299 18222 6925 1 16 . 1 1 50 50 MET HA H 50 4.010 4.010 4.152 -0.142 18222 6926 1 16 . 1 1 50 50 MET CA C 50 57.730 57.730 59.334 -1.604 18222 6927 1 16 . 1 1 50 50 MET CB C 50 27.160 27.160 32.827 -5.667 18222 6928 1 16 . 1 1 50 50 MET H H 50 7.880 7.880 8.256 -0.376 18222 6929 1 16 . 1 1 51 51 PHE N N 51 119.550 119.550 118.207 1.343 18222 6930 1 16 . 1 1 51 51 PHE CA C 51 60.850 60.850 62.080 -1.230 18222 6931 1 16 . 1 1 51 51 PHE CB C 51 38.720 38.720 39.043 -0.323 18222 6932 1 16 . 1 1 51 51 PHE H H 51 7.890 7.890 8.454 -0.564 18222 6933 1 16 . 1 1 52 52 ILE N N 52 117.950 117.950 118.113 -0.163 18222 6934 1 16 . 1 1 52 52 ILE HA H 52 4.050 4.050 3.971 0.079 18222 6935 1 16 . 1 1 52 52 ILE CA C 52 63.560 63.560 63.728 -0.168 18222 6936 1 16 . 1 1 52 52 ILE CB C 52 36.810 36.810 38.378 -1.568 18222 6937 1 16 . 1 1 52 52 ILE H H 52 8.110 8.110 8.220 -0.110 18222 6938 1 16 . 1 1 53 53 GLN N N 53 117.360 117.360 120.162 -2.802 18222 6939 1 16 . 1 1 53 53 GLN CA C 53 57.200 57.200 58.309 -1.109 18222 6940 1 16 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.326 -0.456 18222 6941 1 16 . 1 1 53 53 GLN H H 53 7.930 7.930 7.999 -0.069 18222 6942 1 16 . 1 1 54 54 ARG N N 54 116.840 116.840 118.853 -2.013 18222 6943 1 16 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.221 -0.271 18222 6944 1 16 . 1 1 54 54 ARG CA C 54 56.480 56.480 57.605 -1.125 18222 6945 1 16 . 1 1 54 54 ARG CB C 54 28.970 28.970 30.037 -1.067 18222 6946 1 16 . 1 1 54 54 ARG H H 54 7.540 7.540 7.793 -0.253 18222 6947 1 16 . 1 1 55 55 LYS N N 55 117.900 117.900 118.089 -0.189 18222 6948 1 16 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.293 -0.213 18222 6949 1 16 . 1 1 55 55 LYS CA C 55 55.030 55.030 56.455 -1.425 18222 6950 1 16 . 1 1 55 55 LYS CB C 55 32.010 32.010 32.712 -0.702 18222 6951 1 16 . 1 1 55 55 LYS H H 55 7.660 7.660 7.238 0.422 18222 6952 1 16 . 1 1 56 56 PHE N N 56 121.060 121.060 121.682 -0.622 18222 6953 1 16 . 1 1 56 56 PHE CA C 56 55.190 55.190 54.800 0.390 18222 6954 1 16 . 1 1 56 56 PHE CB C 56 38.970 38.970 39.594 -0.624 18222 6955 1 16 . 1 1 56 56 PHE H H 56 8.080 8.080 7.776 0.304 18222 6956 1 16 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.616 -1.226 18222 6957 1 16 . 1 1 57 57 PRO CB C 57 30.580 30.580 31.734 -1.154 18222 6958 1 16 . 1 1 58 58 TYR N N 58 120.240 120.240 120.057 0.183 18222 6959 1 16 . 1 1 58 58 TYR CA C 58 55.770 55.770 54.793 0.977 18222 6960 1 16 . 1 1 58 58 TYR CB C 58 40.220 40.220 39.869 0.351 18222 6961 1 16 . 1 1 58 58 TYR H H 58 7.700 7.700 7.530 0.170 18222 6962 1 16 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.820 -1.690 18222 6963 1 16 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.164 1.176 18222 6964 1 16 . 1 1 60 60 LEU N N 60 122.210 122.210 116.298 5.912 18222 6965 1 16 . 1 1 60 60 LEU CA C 60 54.250 54.250 53.804 0.446 18222 6966 1 16 . 1 1 60 60 LEU CB C 60 41.470 41.470 43.644 -2.174 18222 6967 1 16 . 1 1 60 60 LEU H H 60 7.880 7.880 7.734 0.146 18222 6968 1 16 . 1 1 61 61 GLN N N 61 122.470 122.470 122.315 0.155 18222 6969 1 16 . 1 1 61 61 GLN CA C 61 54.170 54.170 55.184 -1.014 18222 6970 1 16 . 1 1 61 61 GLN H H 61 7.970 7.970 8.556 -0.586 18222 6971 1 16 . 1 1 62 62 TRP N N 62 124.590 124.590 124.828 -0.238 18222 6972 1 16 . 1 1 62 62 TRP CA C 62 59.830 59.830 61.066 -1.236 18222 6973 1 16 . 1 1 62 62 TRP CB C 62 28.800 28.800 29.215 -0.415 18222 6974 1 16 . 1 1 62 62 TRP H H 62 8.240 8.240 8.995 -0.755 18222 6975 1 16 . 1 1 63 63 SER N N 63 113.320 113.320 114.630 -1.310 18222 6976 1 16 . 1 1 63 63 SER CA C 63 61.100 61.100 61.595 -0.495 18222 6977 1 16 . 1 1 63 63 SER H H 63 8.410 8.410 8.370 0.040 18222 6978 1 16 . 1 1 64 64 LEU N N 64 123.230 123.230 121.308 1.922 18222 6979 1 16 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.435 -0.555 18222 6980 1 16 . 1 1 64 64 LEU CB C 64 40.830 40.830 41.146 -0.316 18222 6981 1 16 . 1 1 64 64 LEU H H 64 7.230 7.230 8.176 -0.946 18222 6982 1 16 . 1 1 65 65 LEU N N 65 119.400 119.400 121.605 -2.205 18222 6983 1 16 . 1 1 65 65 LEU HA H 65 3.890 3.890 4.082 -0.192 18222 6984 1 16 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.270 -0.690 18222 6985 1 16 . 1 1 65 65 LEU CB C 65 40.710 40.710 41.587 -0.877 18222 6986 1 16 . 1 1 65 65 LEU H H 65 7.510 7.510 8.530 -1.020 18222 6987 1 16 . 1 1 66 66 VAL N N 66 116.950 116.950 119.126 -2.176 18222 6988 1 16 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.587 0.373 18222 6989 1 16 . 1 1 66 66 VAL CA C 66 66.260 66.260 65.787 0.473 18222 6990 1 16 . 1 1 66 66 VAL CB C 66 30.570 30.570 31.067 -0.497 18222 6991 1 16 . 1 1 66 66 VAL H H 66 7.950 7.950 8.472 -0.522 18222 6992 1 16 . 1 1 67 67 ALA N N 67 120.650 120.650 123.088 -2.438 18222 6993 1 16 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.110 -0.110 18222 6994 1 16 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.294 -0.514 18222 6995 1 16 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.537 -1.097 18222 6996 1 16 . 1 1 67 67 ALA H H 67 7.450 7.450 8.002 -0.552 18222 6997 1 16 . 1 1 68 68 VAL N N 68 118.440 118.440 118.194 0.246 18222 6998 1 16 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.519 0.231 18222 6999 1 16 . 1 1 68 68 VAL CA C 68 65.250 65.250 66.609 -1.359 18222 7000 1 16 . 1 1 68 68 VAL CB C 68 30.850 30.850 32.087 -1.237 18222 7001 1 16 . 1 1 68 68 VAL H H 68 7.960 7.960 8.031 -0.071 18222 7002 1 16 . 1 1 69 69 VAL N N 69 120.800 120.800 119.947 0.853 18222 7003 1 16 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.570 0.650 18222 7004 1 16 . 1 1 69 69 VAL CA C 69 66.020 66.020 67.024 -1.004 18222 7005 1 16 . 1 1 69 69 VAL CB C 69 30.850 30.850 30.953 -0.102 18222 7006 1 16 . 1 1 69 69 VAL H H 69 8.080 8.080 8.530 -0.450 18222 7007 1 16 . 1 1 70 70 ALA N N 70 121.740 121.740 120.731 1.009 18222 7008 1 16 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.174 -0.254 18222 7009 1 16 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.231 -0.311 18222 7010 1 16 . 1 1 70 70 ALA CB C 70 17.620 17.620 18.204 -0.584 18222 7011 1 16 . 1 1 70 70 ALA H H 70 8.660 8.660 8.539 0.121 18222 7012 1 16 . 1 1 71 71 GLY N N 71 103.450 103.450 107.243 -3.793 18222 7013 1 16 . 1 1 71 71 GLY CA C 71 46.300 46.300 47.070 -0.770 18222 7014 1 16 . 1 1 71 71 GLY H H 71 8.010 8.010 8.114 -0.104 18222 7015 1 16 . 1 1 72 72 SER N N 72 118.160 118.160 117.260 0.900 18222 7016 1 16 . 1 1 72 72 SER CA C 72 61.260 61.260 61.365 -0.105 18222 7017 1 16 . 1 1 72 72 SER CB C 72 62.870 62.870 62.846 0.024 18222 7018 1 16 . 1 1 72 72 SER H H 72 7.870 7.870 8.088 -0.218 18222 7019 1 16 . 1 1 73 73 VAL N N 73 121.340 121.340 122.009 -0.669 18222 7020 1 16 . 1 1 73 73 VAL CA C 73 65.750 65.750 66.159 -0.409 18222 7021 1 16 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.152 -0.412 18222 7022 1 16 . 1 1 73 73 VAL H H 73 8.050 8.050 8.180 -0.130 18222 7023 1 16 . 1 1 74 74 VAL N N 74 118.680 118.680 119.060 -0.380 18222 7024 1 16 . 1 1 74 74 VAL CA C 74 65.770 65.770 66.496 -0.726 18222 7025 1 16 . 1 1 74 74 VAL CB C 74 30.740 30.740 31.286 -0.546 18222 7026 1 16 . 1 1 74 74 VAL H H 74 7.880 7.880 8.612 -0.732 18222 7027 1 16 . 1 1 75 75 SER N N 75 114.750 114.750 116.593 -1.843 18222 7028 1 16 . 1 1 75 75 SER HA H 75 4.100 4.100 4.180 -0.080 18222 7029 1 16 . 1 1 75 75 SER CA C 75 60.870 60.870 62.267 -1.397 18222 7030 1 16 . 1 1 75 75 SER CB C 75 62.340 62.340 62.793 -0.453 18222 7031 1 16 . 1 1 75 75 SER H H 75 7.870 7.870 7.862 0.008 18222 7032 1 16 . 1 1 76 76 TYR N N 76 121.110 121.110 122.583 -1.473 18222 7033 1 16 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.486 -1.436 18222 7034 1 16 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.495 -0.515 18222 7035 1 16 . 1 1 76 76 TYR H H 76 7.860 7.860 8.672 -0.812 18222 7036 1 16 . 1 1 77 77 GLY N N 77 107.300 107.300 106.430 0.870 18222 7037 1 16 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.450 -0.890 18222 7038 1 16 . 1 1 77 77 GLY H H 77 8.200 8.200 8.538 -0.338 18222 7039 1 16 . 1 1 78 78 VAL N N 78 119.470 119.470 121.828 -2.358 18222 7040 1 16 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.891 0.279 18222 7041 1 16 . 1 1 78 78 VAL CA C 78 64.650 64.650 65.354 -0.704 18222 7042 1 16 . 1 1 78 78 VAL H H 78 8.140 8.140 8.438 -0.298 18222 7043 1 16 . 1 1 79 79 THR N N 79 112.100 112.100 116.767 -4.667 18222 7044 1 16 . 1 1 79 79 THR CA C 79 63.460 63.460 66.490 -3.030 18222 7045 1 16 . 1 1 79 79 THR CB C 79 68.650 68.650 68.375 0.275 18222 7046 1 16 . 1 1 79 79 THR H H 79 7.640 7.640 8.033 -0.393 18222 7047 1 16 . 1 1 80 80 ARG N N 80 120.770 120.770 121.802 -1.032 18222 7048 1 16 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.042 0.118 18222 7049 1 16 . 1 1 80 80 ARG CA C 80 56.790 56.790 59.778 -2.988 18222 7050 1 16 . 1 1 80 80 ARG CB C 80 29.430 29.430 30.227 -0.797 18222 7051 1 16 . 1 1 80 80 ARG H H 80 7.680 7.680 7.924 -0.244 18222 7052 1 16 . 1 1 81 81 VAL N N 81 118.370 118.370 119.267 -0.897 18222 7053 1 16 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.757 0.163 18222 7054 1 16 . 1 1 81 81 VAL CA C 81 63.340 63.340 65.777 -2.437 18222 7055 1 16 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.249 0.011 18222 7056 1 16 . 1 1 81 81 VAL H H 81 7.730 7.730 8.228 -0.498 18222 7057 1 16 . 1 1 82 82 GLU N N 82 120.620 120.620 119.533 1.087 18222 7058 1 16 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.401 -3.081 18222 7059 1 16 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.330 -1.400 18222 7060 1 16 . 1 1 82 82 GLU H H 82 7.920 7.920 8.478 -0.558 18222 7061 1 16 . 1 1 83 83 SER N N 83 116.240 116.240 116.497 -0.257 18222 7062 1 16 . 1 1 83 83 SER CA C 83 59.250 59.250 62.177 -2.927 18222 7063 1 16 . 1 1 83 83 SER CB C 83 63.160 63.160 62.967 0.193 18222 7064 1 16 . 1 1 83 83 SER H H 83 7.960 7.960 7.954 0.006 18222 7065 1 16 . 1 1 84 84 GLU N N 84 123.280 123.280 121.920 1.360 18222 7066 1 16 . 1 1 84 84 GLU HA H 84 4.080 4.080 4.044 0.036 18222 7067 1 16 . 1 1 84 84 GLU CA C 84 57.860 57.860 59.654 -1.794 18222 7068 1 16 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.658 -1.468 18222 7069 1 16 . 1 1 84 84 GLU H H 84 8.470 8.470 8.068 0.402 18222 7070 1 16 . 1 1 85 85 LYS N N 85 118.650 118.650 119.985 -1.335 18222 7071 1 16 . 1 1 85 85 LYS HA H 85 4.100 4.100 3.999 0.101 18222 7072 1 16 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.281 -1.501 18222 7073 1 16 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.132 -0.752 18222 7074 1 16 . 1 1 85 85 LYS H H 85 7.940 7.940 8.055 -0.115 18222 7075 1 16 . 1 1 86 86 CYS N N 86 117.070 117.070 118.398 -1.328 18222 7076 1 16 . 1 1 86 86 CYS CA C 86 60.910 60.910 62.652 -1.742 18222 7077 1 16 . 1 1 86 86 CYS CB C 86 26.740 26.740 27.266 -0.526 18222 7078 1 16 . 1 1 86 86 CYS H H 86 7.840 7.840 8.253 -0.413 18222 7079 1 16 . 1 1 87 87 ASN N N 87 119.370 119.370 119.600 -0.230 18222 7080 1 16 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.679 -0.549 18222 7081 1 16 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.498 -0.749 18222 7082 1 16 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.035 0.015 18222 7083 1 16 . 1 1 87 87 ASN H H 87 8.110 8.110 8.418 -0.308 18222 7084 1 16 . 1 1 88 88 ASN N N 88 117.570 117.570 118.919 -1.349 18222 7085 1 16 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.413 -0.133 18222 7086 1 16 . 1 1 88 88 ASN CA C 88 55.190 55.190 56.328 -1.138 18222 7087 1 16 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.390 -0.990 18222 7088 1 16 . 1 1 88 88 ASN H H 88 8.280 8.280 8.267 0.013 18222 7089 1 16 . 1 1 89 89 LEU N N 89 121.940 121.940 121.369 0.571 18222 7090 1 16 . 1 1 89 89 LEU HA H 89 4.070 4.070 3.921 0.149 18222 7091 1 16 . 1 1 89 89 LEU CA C 89 57.580 57.580 58.480 -0.900 18222 7092 1 16 . 1 1 89 89 LEU CB C 89 40.490 40.490 40.925 -0.435 18222 7093 1 16 . 1 1 89 89 LEU H H 89 7.790 7.790 8.330 -0.540 18222 7094 1 16 . 1 1 90 90 TRP N N 90 119.220 119.220 121.914 -2.694 18222 7095 1 16 . 1 1 90 90 TRP CA C 90 59.120 59.120 60.620 -1.500 18222 7096 1 16 . 1 1 90 90 TRP CB C 90 28.800 28.800 28.364 0.436 18222 7097 1 16 . 1 1 90 90 TRP H H 90 7.850 7.850 8.529 -0.679 18222 7098 1 16 . 1 1 91 91 LEU N N 91 117.870 117.870 119.540 -1.670 18222 7099 1 16 . 1 1 91 91 LEU CA C 91 57.300 57.300 57.345 -0.045 18222 7100 1 16 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.511 -0.901 18222 7101 1 16 . 1 1 91 91 LEU H H 91 7.920 7.920 7.846 0.074 18222 7102 1 16 . 1 1 92 92 PHE N N 92 121.280 121.280 118.150 3.130 18222 7103 1 16 . 1 1 92 92 PHE CA C 92 60.390 60.390 61.085 -0.695 18222 7104 1 16 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.741 -0.761 18222 7105 1 16 . 1 1 92 92 PHE H H 92 7.860 7.860 8.276 -0.416 18222 7106 1 16 . 1 1 93 93 LEU N N 93 119.860 119.860 122.635 -2.775 18222 7107 1 16 . 1 1 93 93 LEU CA C 93 56.860 56.860 58.050 -1.190 18222 7108 1 16 . 1 1 93 93 LEU CB C 93 40.550 40.550 42.197 -1.647 18222 7109 1 16 . 1 1 93 93 LEU H H 93 7.980 7.980 8.656 -0.676 18222 7110 1 16 . 1 1 94 94 GLU N N 94 114.660 114.660 118.445 -3.785 18222 7111 1 16 . 1 1 94 94 GLU HA H 94 3.810 3.810 4.178 -0.368 18222 7112 1 16 . 1 1 94 94 GLU CA C 94 57.210 57.210 58.761 -1.551 18222 7113 1 16 . 1 1 94 94 GLU CB C 94 28.470 28.470 28.946 -0.476 18222 7114 1 16 . 1 1 94 94 GLU H H 94 7.890 7.890 8.795 -0.905 18222 7115 1 16 . 1 1 95 95 THR N N 95 108.260 108.260 113.527 -5.267 18222 7116 1 16 . 1 1 95 95 THR CA C 95 62.150 62.150 62.823 -0.673 18222 7117 1 16 . 1 1 95 95 THR CB C 95 70.810 70.810 69.145 1.665 18222 7118 1 16 . 1 1 95 95 THR H H 95 7.690 7.690 7.589 0.101 18222 7119 1 16 . 1 1 96 96 GLY N N 96 112.220 112.220 108.907 3.313 18222 7120 1 16 . 1 1 96 96 GLY CA C 96 45.410 45.410 44.849 0.561 18222 7121 1 16 . 1 1 96 96 GLY H H 96 8.240 8.240 7.455 0.785 18222 7122 1 16 . 1 1 97 97 GLN N N 97 117.950 117.950 119.686 -1.736 18222 7123 1 16 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.444 -0.244 18222 7124 1 16 . 1 1 97 97 GLN CA C 97 54.430 54.430 55.184 -0.755 18222 7125 1 16 . 1 1 97 97 GLN CB C 97 29.910 29.910 30.287 -0.377 18222 7126 1 16 . 1 1 97 97 GLN H H 97 7.640 7.640 8.463 -0.823 18222 7127 1 16 . 1 1 98 98 LEU N N 98 123.810 123.810 124.493 -0.683 18222 7128 1 16 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.484 -0.124 18222 7129 1 16 . 1 1 98 98 LEU CA C 98 52.650 52.650 53.581 -0.931 18222 7130 1 16 . 1 1 98 98 LEU CB C 98 40.460 40.460 41.924 -1.464 18222 7131 1 16 . 1 1 98 98 LEU H H 98 8.270 8.270 8.491 -0.221 18222 7132 1 16 . 1 1 99 99 PRO CA C 99 63.180 63.180 62.303 0.877 18222 7133 1 16 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.478 -1.638 18222 7134 1 16 . 1 1 100 100 LYS N N 100 120.630 120.630 121.242 -0.612 18222 7135 1 16 . 1 1 100 100 LYS CA C 100 55.730 55.730 55.724 0.006 18222 7136 1 16 . 1 1 100 100 LYS CB C 100 32.280 32.280 32.667 -0.387 18222 7137 1 16 . 1 1 100 100 LYS H H 100 8.090 8.090 8.428 -0.338 18222 7138 1 16 . 1 1 101 101 ASP N N 101 120.920 120.920 122.325 -1.405 18222 7139 1 16 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.292 -0.102 18222 7140 1 16 . 1 1 101 101 ASP CA C 101 54.000 54.000 55.502 -1.502 18222 7141 1 16 . 1 1 101 101 ASP CB C 101 40.330 40.330 41.472 -1.142 18222 7142 1 16 . 1 1 101 101 ASP H H 101 8.190 8.190 8.557 -0.367 18222 7143 1 16 . 1 1 102 102 ARG N N 102 122.210 122.210 122.268 -0.058 18222 7144 1 16 . 1 1 102 102 ARG CA C 102 55.590 55.590 55.762 -0.172 18222 7145 1 16 . 1 1 102 102 ARG CB C 102 29.630 29.630 32.448 -2.818 18222 7146 1 16 . 1 1 102 102 ARG H H 102 8.130 8.130 8.409 -0.279 18222 7147 1 16 . 1 1 103 103 SER N N 103 117.230 117.230 119.647 -2.417 18222 7148 1 16 . 1 1 103 103 SER HA H 103 4.280 4.280 4.763 -0.483 18222 7149 1 16 . 1 1 103 103 SER CA C 103 58.470 58.470 57.902 0.568 18222 7150 1 16 . 1 1 103 103 SER CB C 103 63.080 63.080 64.397 -1.317 18222 7151 1 16 . 1 1 103 103 SER H H 103 8.290 8.290 8.467 -0.177 18222 7152 1 16 . 1 1 104 104 THR N N 104 115.430 115.430 116.728 -1.298 18222 7153 1 16 . 1 1 104 104 THR CA C 104 61.570 61.570 62.328 -0.758 18222 7154 1 16 . 1 1 104 104 THR CB C 104 69.030 69.030 70.170 -1.140 18222 7155 1 16 . 1 1 104 104 THR H H 104 8.020 8.020 8.271 -0.251 18222 7156 1 16 . 1 1 105 105 ASP N N 105 122.780 122.780 123.813 -1.033 18222 7157 1 16 . 1 1 105 105 ASP CA C 105 54.210 54.210 53.675 0.535 18222 7158 1 16 . 1 1 105 105 ASP CB C 105 40.380 40.380 42.311 -1.931 18222 7159 1 16 . 1 1 105 105 ASP H H 105 8.120 8.120 8.405 -0.285 18222 7160 1 16 . 1 1 106 106 GLN N N 106 120.960 120.960 121.482 -0.522 18222 7161 1 16 . 1 1 106 106 GLN CA C 106 55.420 55.420 55.229 0.191 18222 7162 1 16 . 1 1 106 106 GLN CB C 106 28.310 28.310 30.136 -1.826 18222 7163 1 16 . 1 1 106 106 GLN H H 106 8.140 8.140 8.183 -0.043 18222 7164 1 16 . 1 1 107 107 ARG N N 107 123.010 123.010 121.301 1.709 18222 7165 1 16 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.471 -0.261 18222 7166 1 16 . 1 1 107 107 ARG CA C 107 55.560 55.560 56.773 -1.213 18222 7167 1 16 . 1 1 107 107 ARG CB C 107 29.920 29.920 30.985 -1.065 18222 7168 1 16 . 1 1 107 107 ARG H H 107 8.180 8.180 8.709 -0.529 18222 7169 1 17 . 1 1 2 2 VAL N N 2 121.590 121.590 125.522 -3.932 18222 7170 1 17 . 1 1 2 2 VAL CA C 2 61.600 61.600 62.418 -0.818 18222 7171 1 17 . 1 1 2 2 VAL CB C 2 31.900 31.900 32.208 -0.308 18222 7172 1 17 . 1 1 2 2 VAL H H 2 8.010 8.010 8.469 -0.459 18222 7173 1 17 . 1 1 3 3 ASN N N 3 122.520 122.520 125.354 -2.834 18222 7174 1 17 . 1 1 3 3 ASN HA H 3 4.020 4.020 5.014 -0.994 18222 7175 1 17 . 1 1 3 3 ASN CA C 3 52.640 52.640 52.497 0.143 18222 7176 1 17 . 1 1 3 3 ASN CB C 3 38.330 38.330 39.912 -1.582 18222 7177 1 17 . 1 1 3 3 ASN H H 3 8.360 8.360 8.545 -0.185 18222 7178 1 17 . 1 1 4 4 LEU N N 4 123.830 123.830 122.291 1.539 18222 7179 1 17 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.513 -0.293 18222 7180 1 17 . 1 1 4 4 LEU CA C 4 54.620 54.620 55.260 -0.640 18222 7181 1 17 . 1 1 4 4 LEU CB C 4 41.680 41.680 43.959 -2.279 18222 7182 1 17 . 1 1 4 4 LEU H H 4 8.220 8.220 8.556 -0.336 18222 7183 1 17 . 1 1 5 5 GLY N N 5 106.810 106.810 110.849 -4.039 18222 7184 1 17 . 1 1 5 5 GLY CA C 5 45.800 45.800 44.331 1.469 18222 7185 1 17 . 1 1 5 5 GLY H H 5 8.030 8.030 8.257 -0.227 18222 7186 1 17 . 1 1 6 6 LEU N N 6 120.820 120.820 122.400 -1.580 18222 7187 1 17 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.400 -0.350 18222 7188 1 17 . 1 1 6 6 LEU CA C 6 55.990 55.990 57.091 -1.101 18222 7189 1 17 . 1 1 6 6 LEU CB C 6 40.800 40.800 42.123 -1.323 18222 7190 1 17 . 1 1 6 6 LEU H H 6 8.030 8.030 8.437 -0.407 18222 7191 1 17 . 1 1 7 7 SER N N 7 115.540 115.540 114.734 0.806 18222 7192 1 17 . 1 1 7 7 SER HA H 7 4.100 4.100 4.122 -0.022 18222 7193 1 17 . 1 1 7 7 SER CA C 7 60.580 60.580 60.949 -0.369 18222 7194 1 17 . 1 1 7 7 SER CB C 7 62.060 62.060 62.350 -0.290 18222 7195 1 17 . 1 1 7 7 SER H H 7 8.360 8.360 8.311 0.049 18222 7196 1 17 . 1 1 8 8 ARG N N 8 120.690 120.690 121.273 -0.583 18222 7197 1 17 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.101 0.059 18222 7198 1 17 . 1 1 8 8 ARG CA C 8 57.350 57.350 59.166 -1.817 18222 7199 1 17 . 1 1 8 8 ARG CB C 8 29.230 29.230 30.035 -0.805 18222 7200 1 17 . 1 1 8 8 ARG H H 8 7.830 7.830 8.488 -0.658 18222 7201 1 17 . 1 1 9 9 VAL N N 9 119.330 119.330 119.711 -0.381 18222 7202 1 17 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.652 0.518 18222 7203 1 17 . 1 1 9 9 VAL CA C 9 64.720 64.720 66.334 -1.614 18222 7204 1 17 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.626 -0.726 18222 7205 1 17 . 1 1 9 9 VAL H H 9 7.620 7.620 7.435 0.185 18222 7206 1 17 . 1 1 10 10 ASP N N 10 119.520 119.520 120.013 -0.493 18222 7207 1 17 . 1 1 10 10 ASP CA C 10 54.960 54.960 57.473 -2.513 18222 7208 1 17 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.603 -2.803 18222 7209 1 17 . 1 1 10 10 ASP H H 10 8.180 8.180 8.153 0.027 18222 7210 1 17 . 1 1 11 11 ASP N N 11 121.550 121.550 120.242 1.308 18222 7211 1 17 . 1 1 11 11 ASP CA C 11 54.440 54.440 57.097 -2.657 18222 7212 1 17 . 1 1 11 11 ASP CB C 11 37.840 37.840 40.685 -2.845 18222 7213 1 17 . 1 1 11 11 ASP H H 11 7.950 7.950 8.314 -0.364 18222 7214 1 17 . 1 1 12 12 ALA N N 12 120.220 120.220 123.317 -3.097 18222 7215 1 17 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.356 -0.986 18222 7216 1 17 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.683 6.047 18222 7217 1 17 . 1 1 12 12 ALA H H 12 8.090 8.090 7.954 0.136 18222 7218 1 17 . 1 1 13 13 VAL N N 13 116.910 116.910 118.205 -1.295 18222 7219 1 17 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.661 0.479 18222 7220 1 17 . 1 1 13 13 VAL CA C 13 64.900 64.900 65.695 -0.795 18222 7221 1 17 . 1 1 13 13 VAL CB C 13 31.000 31.000 31.847 -0.847 18222 7222 1 17 . 1 1 13 13 VAL H H 13 7.980 7.980 8.297 -0.317 18222 7223 1 17 . 1 1 14 14 ALA N N 14 122.200 122.200 121.979 0.221 18222 7224 1 17 . 1 1 14 14 ALA HA H 14 4.020 4.020 4.041 -0.021 18222 7225 1 17 . 1 1 14 14 ALA CA C 14 53.800 53.800 55.053 -1.253 18222 7226 1 17 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.204 -0.414 18222 7227 1 17 . 1 1 14 14 ALA H H 14 8.030 8.030 7.968 0.062 18222 7228 1 17 . 1 1 15 15 ALA N N 15 118.600 118.600 118.207 0.393 18222 7229 1 17 . 1 1 15 15 ALA CA C 15 53.230 53.230 54.331 -1.101 18222 7230 1 17 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.596 -0.586 18222 7231 1 17 . 1 1 15 15 ALA H H 15 7.530 7.530 8.110 -0.580 18222 7232 1 17 . 1 1 16 16 LYS N N 16 115.820 115.820 117.341 -1.521 18222 7233 1 17 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.321 -0.241 18222 7234 1 17 . 1 1 16 16 LYS CA C 16 55.670 55.670 56.630 -0.960 18222 7235 1 17 . 1 1 16 16 LYS CB C 16 32.640 32.640 33.365 -0.725 18222 7236 1 17 . 1 1 16 16 LYS H H 16 7.490 7.490 7.785 -0.295 18222 7237 1 17 . 1 1 17 17 HIS N N 17 116.790 116.790 119.234 -2.444 18222 7238 1 17 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.939 -0.839 18222 7239 1 17 . 1 1 17 17 HIS CA C 17 52.820 52.820 52.695 0.125 18222 7240 1 17 . 1 1 17 17 HIS CB C 17 28.400 28.400 31.426 -3.026 18222 7241 1 17 . 1 1 17 17 HIS H H 17 8.130 8.130 7.836 0.294 18222 7242 1 17 . 1 1 18 18 PRO CA C 18 63.800 63.800 62.755 1.045 18222 7243 1 17 . 1 1 18 18 PRO CB C 18 30.800 30.800 32.544 -1.744 18222 7244 1 17 . 1 1 19 19 GLY N N 19 110.260 110.260 110.309 -0.049 18222 7245 1 17 . 1 1 19 19 GLY CA C 19 45.490 45.490 45.073 0.417 18222 7246 1 17 . 1 1 19 19 GLY H H 19 8.730 8.730 8.373 0.357 18222 7247 1 17 . 1 1 20 20 LEU N N 20 122.650 122.650 126.766 -4.116 18222 7248 1 17 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.191 -0.101 18222 7249 1 17 . 1 1 20 20 LEU CA C 20 57.060 57.060 59.278 -2.218 18222 7250 1 17 . 1 1 20 20 LEU H H 20 7.980 7.980 8.382 -0.402 18222 7251 1 17 . 1 1 21 21 GLY N N 21 107.000 107.000 106.424 0.576 18222 7252 1 17 . 1 1 21 21 GLY CA C 21 46.710 46.710 47.278 -0.568 18222 7253 1 17 . 1 1 21 21 GLY H H 21 8.570 8.570 8.501 0.069 18222 7254 1 17 . 1 1 22 22 GLU N N 22 121.610 121.610 122.437 -0.827 18222 7255 1 17 . 1 1 22 22 GLU HA H 22 3.990 3.990 4.080 -0.090 18222 7256 1 17 . 1 1 22 22 GLU CA C 22 58.280 58.280 59.609 -1.329 18222 7257 1 17 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.347 -1.337 18222 7258 1 17 . 1 1 22 22 GLU H H 22 8.100 8.100 8.352 -0.252 18222 7259 1 17 . 1 1 23 23 TYR N N 23 120.870 120.870 119.723 1.147 18222 7260 1 17 . 1 1 23 23 TYR CA C 23 60.380 60.380 60.700 -0.320 18222 7261 1 17 . 1 1 23 23 TYR CB C 23 37.750 37.750 37.792 -0.042 18222 7262 1 17 . 1 1 23 23 TYR H H 23 7.910 7.910 8.966 -1.056 18222 7263 1 17 . 1 1 24 24 ALA N N 24 121.420 121.420 121.887 -0.467 18222 7264 1 17 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.185 -0.045 18222 7265 1 17 . 1 1 24 24 ALA CA C 24 54.260 54.260 54.537 -0.277 18222 7266 1 17 . 1 1 24 24 ALA H H 24 8.410 8.410 8.509 -0.099 18222 7267 1 17 . 1 1 25 25 ALA N N 25 120.220 120.220 121.987 -1.767 18222 7268 1 17 . 1 1 25 25 ALA CA C 25 54.370 54.370 55.128 -0.758 18222 7269 1 17 . 1 1 25 25 ALA H H 25 8.090 8.090 8.185 -0.095 18222 7270 1 17 . 1 1 26 26 CYS N N 26 116.760 116.760 117.579 -0.819 18222 7271 1 17 . 1 1 26 26 CYS CA C 26 61.180 61.180 63.178 -1.998 18222 7272 1 17 . 1 1 26 26 CYS CB C 26 26.390 26.390 27.669 -1.279 18222 7273 1 17 . 1 1 26 26 CYS H H 26 7.950 7.950 8.666 -0.716 18222 7274 1 17 . 1 1 27 27 GLN N N 27 118.690 118.690 120.182 -1.492 18222 7275 1 17 . 1 1 27 27 GLN CA C 27 55.970 55.970 59.361 -3.391 18222 7276 1 17 . 1 1 27 27 GLN H H 27 8.060 8.060 8.243 -0.183 18222 7277 1 17 . 1 1 28 28 SER N N 28 115.490 115.490 116.368 -0.878 18222 7278 1 17 . 1 1 28 28 SER HA H 28 3.990 3.990 4.114 -0.124 18222 7279 1 17 . 1 1 28 28 SER CA C 28 61.110 61.110 62.090 -0.980 18222 7280 1 17 . 1 1 28 28 SER H H 28 7.980 7.980 8.428 -0.448 18222 7281 1 17 . 1 1 29 29 HIS N N 29 120.880 120.880 120.816 0.064 18222 7282 1 17 . 1 1 29 29 HIS CA C 29 58.190 58.190 59.555 -1.365 18222 7283 1 17 . 1 1 29 29 HIS CB C 29 27.460 27.460 30.067 -2.607 18222 7284 1 17 . 1 1 29 29 HIS H H 29 8.180 8.180 8.312 -0.132 18222 7285 1 17 . 1 1 30 30 ALA N N 30 122.920 122.920 122.850 0.070 18222 7286 1 17 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.282 -0.722 18222 7287 1 17 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.546 -1.056 18222 7288 1 17 . 1 1 30 30 ALA H H 30 8.040 8.040 8.239 -0.199 18222 7289 1 17 . 1 1 31 31 PHE N N 31 119.340 119.340 118.991 0.349 18222 7290 1 17 . 1 1 31 31 PHE CA C 31 60.370 60.370 61.924 -1.554 18222 7291 1 17 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.248 -0.728 18222 7292 1 17 . 1 1 31 31 PHE H H 31 8.230 8.230 8.807 -0.577 18222 7293 1 17 . 1 1 32 32 MET N N 32 118.110 118.110 119.616 -1.506 18222 7294 1 17 . 1 1 32 32 MET HA H 32 4.050 4.050 3.960 0.090 18222 7295 1 17 . 1 1 32 32 MET CA C 32 58.280 58.280 60.014 -1.734 18222 7296 1 17 . 1 1 32 32 MET CB C 32 31.090 31.090 32.582 -1.492 18222 7297 1 17 . 1 1 32 32 MET H H 32 8.120 8.120 8.469 -0.349 18222 7298 1 17 . 1 1 33 33 LYS N N 33 119.040 119.040 118.903 0.137 18222 7299 1 17 . 1 1 33 33 LYS HA H 33 3.930 3.930 4.056 -0.126 18222 7300 1 17 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.816 -0.776 18222 7301 1 17 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.386 -1.396 18222 7302 1 17 . 1 1 33 33 LYS H H 33 7.970 7.970 8.596 -0.626 18222 7303 1 17 . 1 1 34 34 GLY N N 34 108.840 108.840 107.921 0.919 18222 7304 1 17 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.105 -0.495 18222 7305 1 17 . 1 1 34 34 GLY H H 34 8.030 8.030 8.283 -0.253 18222 7306 1 17 . 1 1 35 35 VAL N N 35 122.910 122.910 122.126 0.784 18222 7307 1 17 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.652 0.568 18222 7308 1 17 . 1 1 35 35 VAL CA C 35 66.310 66.310 65.364 0.946 18222 7309 1 17 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.828 -1.268 18222 7310 1 17 . 1 1 35 35 VAL H H 35 8.090 8.090 8.301 -0.211 18222 7311 1 17 . 1 1 36 36 PHE N N 36 120.020 120.020 121.028 -1.008 18222 7312 1 17 . 1 1 36 36 PHE CA C 36 61.350 61.350 61.582 -0.232 18222 7313 1 17 . 1 1 36 36 PHE CB C 36 38.090 38.090 39.052 -0.962 18222 7314 1 17 . 1 1 36 36 PHE H H 36 8.350 8.350 8.493 -0.143 18222 7315 1 17 . 1 1 37 37 THR N N 37 116.980 116.980 117.144 -0.164 18222 7316 1 17 . 1 1 37 37 THR HA H 37 4.050 4.050 3.842 0.208 18222 7317 1 17 . 1 1 37 37 THR CA C 37 66.000 66.000 67.192 -1.192 18222 7318 1 17 . 1 1 37 37 THR CB C 37 68.270 68.270 68.778 -0.508 18222 7319 1 17 . 1 1 37 37 THR H H 37 8.520 8.520 8.613 -0.093 18222 7320 1 17 . 1 1 38 38 PHE N N 38 123.090 123.090 121.110 1.980 18222 7321 1 17 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.215 0.145 18222 7322 1 17 . 1 1 38 38 PHE CA C 38 61.140 61.140 61.712 -0.572 18222 7323 1 17 . 1 1 38 38 PHE CB C 38 41.200 41.200 39.391 1.809 18222 7324 1 17 . 1 1 38 38 PHE H H 38 8.010 8.010 8.021 -0.011 18222 7325 1 17 . 1 1 39 39 VAL N N 39 117.280 117.280 117.183 0.097 18222 7326 1 17 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.662 0.548 18222 7327 1 17 . 1 1 39 39 VAL CA C 39 66.000 66.000 64.975 1.024 18222 7328 1 17 . 1 1 39 39 VAL CB C 39 30.860 30.860 31.941 -1.081 18222 7329 1 17 . 1 1 39 39 VAL H H 39 8.530 8.530 8.381 0.149 18222 7330 1 17 . 1 1 40 40 THR N N 40 109.470 109.470 113.975 -4.505 18222 7331 1 17 . 1 1 40 40 THR HA H 40 4.060 4.060 3.873 0.187 18222 7332 1 17 . 1 1 40 40 THR CA C 40 63.390 63.390 65.662 -2.272 18222 7333 1 17 . 1 1 40 40 THR CB C 40 68.650 68.650 69.148 -0.498 18222 7334 1 17 . 1 1 40 40 THR H H 40 7.700 7.700 7.695 0.005 18222 7335 1 17 . 1 1 41 41 GLY N N 41 110.770 110.770 107.860 2.910 18222 7336 1 17 . 1 1 41 41 GLY CA C 41 45.580 45.580 45.527 0.053 18222 7337 1 17 . 1 1 41 41 GLY H H 41 7.700 7.700 8.273 -0.573 18222 7338 1 17 . 1 1 42 42 THR N N 42 114.520 114.520 112.557 1.963 18222 7339 1 17 . 1 1 42 42 THR CA C 42 63.300 63.300 62.790 0.510 18222 7340 1 17 . 1 1 42 42 THR CB C 42 69.490 69.490 68.848 0.642 18222 7341 1 17 . 1 1 42 42 THR H H 42 7.720 7.720 7.836 -0.116 18222 7342 1 17 . 1 1 43 43 GLY N N 43 109.540 109.540 111.663 -2.123 18222 7343 1 17 . 1 1 43 43 GLY CA C 43 46.250 46.250 46.222 0.028 18222 7344 1 17 . 1 1 43 43 GLY H H 43 8.110 8.110 8.545 -0.435 18222 7345 1 17 . 1 1 44 44 MET N N 44 120.240 120.240 121.096 -0.856 18222 7346 1 17 . 1 1 44 44 MET HA H 44 4.100 4.100 4.002 0.098 18222 7347 1 17 . 1 1 44 44 MET CA C 44 57.700 57.700 58.889 -1.189 18222 7348 1 17 . 1 1 44 44 MET CB C 44 32.030 32.030 32.213 -0.183 18222 7349 1 17 . 1 1 44 44 MET H H 44 7.730 7.730 8.169 -0.439 18222 7350 1 17 . 1 1 45 45 ALA N N 45 121.560 121.560 121.059 0.501 18222 7351 1 17 . 1 1 45 45 ALA CA C 45 54.440 54.440 55.066 -0.626 18222 7352 1 17 . 1 1 45 45 ALA CB C 45 17.400 17.400 17.943 -0.543 18222 7353 1 17 . 1 1 45 45 ALA H H 45 7.950 7.950 7.708 0.242 18222 7354 1 17 . 1 1 46 46 PHE N N 46 118.260 118.260 119.481 -1.221 18222 7355 1 17 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.449 -0.519 18222 7356 1 17 . 1 1 46 46 PHE CA C 46 59.820 59.820 60.872 -1.052 18222 7357 1 17 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.772 -0.512 18222 7358 1 17 . 1 1 46 46 PHE H H 46 7.860 7.860 8.224 -0.364 18222 7359 1 17 . 1 1 47 47 GLY N N 47 107.300 107.300 108.485 -1.185 18222 7360 1 17 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.420 -0.861 18222 7361 1 17 . 1 1 47 47 GLY H H 47 8.200 8.200 8.734 -0.534 18222 7362 1 17 . 1 1 48 48 LEU N N 48 121.920 121.920 122.953 -1.033 18222 7363 1 17 . 1 1 48 48 LEU HA H 48 4.040 4.040 4.000 0.040 18222 7364 1 17 . 1 1 48 48 LEU CA C 48 57.580 57.580 58.654 -1.074 18222 7365 1 17 . 1 1 48 48 LEU CB C 48 40.790 40.790 41.916 -1.126 18222 7366 1 17 . 1 1 48 48 LEU H H 48 8.180 8.180 8.218 -0.038 18222 7367 1 17 . 1 1 49 49 GLN N N 49 118.270 118.270 118.130 0.140 18222 7368 1 17 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.896 -0.066 18222 7369 1 17 . 1 1 49 49 GLN CA C 49 58.880 58.880 59.064 -0.184 18222 7370 1 17 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.493 -1.253 18222 7371 1 17 . 1 1 49 49 GLN H H 49 8.080 8.080 8.139 -0.059 18222 7372 1 17 . 1 1 50 50 MET N N 50 117.630 117.630 119.963 -2.333 18222 7373 1 17 . 1 1 50 50 MET HA H 50 4.010 4.010 4.151 -0.141 18222 7374 1 17 . 1 1 50 50 MET CA C 50 57.730 57.730 59.126 -1.396 18222 7375 1 17 . 1 1 50 50 MET CB C 50 27.160 27.160 32.767 -5.607 18222 7376 1 17 . 1 1 50 50 MET H H 50 7.880 7.880 8.438 -0.558 18222 7377 1 17 . 1 1 51 51 PHE N N 51 119.550 119.550 120.250 -0.700 18222 7378 1 17 . 1 1 51 51 PHE CA C 51 60.850 60.850 61.726 -0.876 18222 7379 1 17 . 1 1 51 51 PHE CB C 51 38.720 38.720 38.946 -0.226 18222 7380 1 17 . 1 1 51 51 PHE H H 51 7.890 7.890 8.432 -0.542 18222 7381 1 17 . 1 1 52 52 ILE N N 52 117.950 117.950 117.597 0.353 18222 7382 1 17 . 1 1 52 52 ILE HA H 52 4.050 4.050 3.999 0.051 18222 7383 1 17 . 1 1 52 52 ILE CA C 52 63.560 63.560 62.684 0.876 18222 7384 1 17 . 1 1 52 52 ILE CB C 52 36.810 36.810 37.900 -1.090 18222 7385 1 17 . 1 1 52 52 ILE H H 52 8.110 8.110 8.215 -0.105 18222 7386 1 17 . 1 1 53 53 GLN N N 53 117.360 117.360 118.883 -1.523 18222 7387 1 17 . 1 1 53 53 GLN CA C 53 57.200 57.200 58.572 -1.372 18222 7388 1 17 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.390 -0.520 18222 7389 1 17 . 1 1 53 53 GLN H H 53 7.930 7.930 8.468 -0.538 18222 7390 1 17 . 1 1 54 54 ARG N N 54 116.840 116.840 118.751 -1.911 18222 7391 1 17 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.187 -0.237 18222 7392 1 17 . 1 1 54 54 ARG CA C 54 56.480 56.480 58.167 -1.687 18222 7393 1 17 . 1 1 54 54 ARG CB C 54 28.970 28.970 30.030 -1.060 18222 7394 1 17 . 1 1 54 54 ARG H H 54 7.540 7.540 7.921 -0.381 18222 7395 1 17 . 1 1 55 55 LYS N N 55 117.900 117.900 117.669 0.231 18222 7396 1 17 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.323 -0.243 18222 7397 1 17 . 1 1 55 55 LYS CA C 55 55.030 55.030 56.273 -1.244 18222 7398 1 17 . 1 1 55 55 LYS CB C 55 32.010 32.010 32.737 -0.727 18222 7399 1 17 . 1 1 55 55 LYS H H 55 7.660 7.660 7.492 0.168 18222 7400 1 17 . 1 1 56 56 PHE N N 56 121.060 121.060 120.965 0.095 18222 7401 1 17 . 1 1 56 56 PHE CA C 56 55.190 55.190 56.038 -0.848 18222 7402 1 17 . 1 1 56 56 PHE CB C 56 38.970 38.970 39.309 -0.339 18222 7403 1 17 . 1 1 56 56 PHE H H 56 8.080 8.080 7.899 0.181 18222 7404 1 17 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.776 -1.386 18222 7405 1 17 . 1 1 57 57 PRO CB C 57 30.580 30.580 31.818 -1.238 18222 7406 1 17 . 1 1 58 58 TYR N N 58 120.240 120.240 119.979 0.261 18222 7407 1 17 . 1 1 58 58 TYR CA C 58 55.770 55.770 54.657 1.113 18222 7408 1 17 . 1 1 58 58 TYR CB C 58 40.220 40.220 39.475 0.745 18222 7409 1 17 . 1 1 58 58 TYR H H 58 7.700 7.700 7.913 -0.213 18222 7410 1 17 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.700 -1.570 18222 7411 1 17 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.278 1.062 18222 7412 1 17 . 1 1 60 60 LEU N N 60 122.210 122.210 120.379 1.831 18222 7413 1 17 . 1 1 60 60 LEU CA C 60 54.250 54.250 54.957 -0.707 18222 7414 1 17 . 1 1 60 60 LEU CB C 60 41.470 41.470 42.632 -1.162 18222 7415 1 17 . 1 1 60 60 LEU H H 60 7.880 7.880 7.923 -0.043 18222 7416 1 17 . 1 1 61 61 GLN N N 61 122.470 122.470 121.321 1.149 18222 7417 1 17 . 1 1 61 61 GLN CA C 61 54.170 54.170 55.500 -1.330 18222 7418 1 17 . 1 1 61 61 GLN H H 61 7.970 7.970 8.175 -0.205 18222 7419 1 17 . 1 1 62 62 TRP N N 62 124.590 124.590 125.104 -0.514 18222 7420 1 17 . 1 1 62 62 TRP CA C 62 59.830 59.830 60.115 -0.285 18222 7421 1 17 . 1 1 62 62 TRP CB C 62 28.800 28.800 29.284 -0.484 18222 7422 1 17 . 1 1 62 62 TRP H H 62 8.240 8.240 8.466 -0.226 18222 7423 1 17 . 1 1 63 63 SER N N 63 113.320 113.320 115.119 -1.799 18222 7424 1 17 . 1 1 63 63 SER CA C 63 61.100 61.100 61.554 -0.454 18222 7425 1 17 . 1 1 63 63 SER H H 63 8.410 8.410 8.020 0.390 18222 7426 1 17 . 1 1 64 64 LEU N N 64 123.230 123.230 121.336 1.894 18222 7427 1 17 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.491 -0.611 18222 7428 1 17 . 1 1 64 64 LEU CB C 64 40.830 40.830 41.203 -0.373 18222 7429 1 17 . 1 1 64 64 LEU H H 64 7.230 7.230 7.985 -0.755 18222 7430 1 17 . 1 1 65 65 LEU N N 65 119.400 119.400 120.707 -1.307 18222 7431 1 17 . 1 1 65 65 LEU HA H 65 3.890 3.890 4.048 -0.158 18222 7432 1 17 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.310 -0.730 18222 7433 1 17 . 1 1 65 65 LEU CB C 65 40.710 40.710 42.020 -1.310 18222 7434 1 17 . 1 1 65 65 LEU H H 65 7.510 7.510 8.249 -0.739 18222 7435 1 17 . 1 1 66 66 VAL N N 66 116.950 116.950 119.204 -2.254 18222 7436 1 17 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.598 0.362 18222 7437 1 17 . 1 1 66 66 VAL CA C 66 66.260 66.260 66.644 -0.383 18222 7438 1 17 . 1 1 66 66 VAL CB C 66 30.570 30.570 31.079 -0.509 18222 7439 1 17 . 1 1 66 66 VAL H H 66 7.950 7.950 8.182 -0.232 18222 7440 1 17 . 1 1 67 67 ALA N N 67 120.650 120.650 122.683 -2.033 18222 7441 1 17 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.108 -0.108 18222 7442 1 17 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.402 -0.622 18222 7443 1 17 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.294 -0.854 18222 7444 1 17 . 1 1 67 67 ALA H H 67 7.450 7.450 8.162 -0.712 18222 7445 1 17 . 1 1 68 68 VAL N N 68 118.440 118.440 118.776 -0.336 18222 7446 1 17 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.686 0.064 18222 7447 1 17 . 1 1 68 68 VAL CA C 68 65.250 65.250 66.211 -0.961 18222 7448 1 17 . 1 1 68 68 VAL CB C 68 30.850 30.850 31.715 -0.865 18222 7449 1 17 . 1 1 68 68 VAL H H 68 7.960 7.960 7.898 0.062 18222 7450 1 17 . 1 1 69 69 VAL N N 69 120.800 120.800 120.546 0.254 18222 7451 1 17 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.648 0.572 18222 7452 1 17 . 1 1 69 69 VAL CA C 69 66.020 66.020 66.501 -0.481 18222 7453 1 17 . 1 1 69 69 VAL CB C 69 30.850 30.850 31.571 -0.721 18222 7454 1 17 . 1 1 69 69 VAL H H 69 8.080 8.080 8.493 -0.413 18222 7455 1 17 . 1 1 70 70 ALA N N 70 121.740 121.740 120.493 1.247 18222 7456 1 17 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.220 -0.300 18222 7457 1 17 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.441 -0.522 18222 7458 1 17 . 1 1 70 70 ALA CB C 70 17.620 17.620 18.064 -0.444 18222 7459 1 17 . 1 1 70 70 ALA H H 70 8.660 8.660 8.562 0.098 18222 7460 1 17 . 1 1 71 71 GLY N N 71 103.450 103.450 106.953 -3.503 18222 7461 1 17 . 1 1 71 71 GLY CA C 71 46.300 46.300 46.839 -0.539 18222 7462 1 17 . 1 1 71 71 GLY H H 71 8.010 8.010 8.079 -0.069 18222 7463 1 17 . 1 1 72 72 SER N N 72 118.160 118.160 116.887 1.273 18222 7464 1 17 . 1 1 72 72 SER CA C 72 61.260 61.260 61.496 -0.236 18222 7465 1 17 . 1 1 72 72 SER CB C 72 62.870 62.870 63.138 -0.268 18222 7466 1 17 . 1 1 72 72 SER H H 72 7.870 7.870 8.001 -0.131 18222 7467 1 17 . 1 1 73 73 VAL N N 73 121.340 121.340 122.301 -0.961 18222 7468 1 17 . 1 1 73 73 VAL CA C 73 65.750 65.750 66.168 -0.419 18222 7469 1 17 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.148 -0.408 18222 7470 1 17 . 1 1 73 73 VAL H H 73 8.050 8.050 8.251 -0.201 18222 7471 1 17 . 1 1 74 74 VAL N N 74 118.680 118.680 119.285 -0.605 18222 7472 1 17 . 1 1 74 74 VAL CA C 74 65.770 65.770 66.599 -0.829 18222 7473 1 17 . 1 1 74 74 VAL CB C 74 30.740 30.740 30.514 0.226 18222 7474 1 17 . 1 1 74 74 VAL H H 74 7.880 7.880 8.657 -0.777 18222 7475 1 17 . 1 1 75 75 SER N N 75 114.750 114.750 116.592 -1.842 18222 7476 1 17 . 1 1 75 75 SER HA H 75 4.100 4.100 4.210 -0.110 18222 7477 1 17 . 1 1 75 75 SER CA C 75 60.870 60.870 62.193 -1.323 18222 7478 1 17 . 1 1 75 75 SER CB C 75 62.340 62.340 62.911 -0.571 18222 7479 1 17 . 1 1 75 75 SER H H 75 7.870 7.870 8.069 -0.199 18222 7480 1 17 . 1 1 76 76 TYR N N 76 121.110 121.110 123.038 -1.928 18222 7481 1 17 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.646 -1.596 18222 7482 1 17 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.536 -0.556 18222 7483 1 17 . 1 1 76 76 TYR H H 76 7.860 7.860 8.524 -0.664 18222 7484 1 17 . 1 1 77 77 GLY N N 77 107.300 107.300 106.811 0.489 18222 7485 1 17 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.219 -0.659 18222 7486 1 17 . 1 1 77 77 GLY H H 77 8.200 8.200 8.654 -0.454 18222 7487 1 17 . 1 1 78 78 VAL N N 78 119.470 119.470 121.376 -1.906 18222 7488 1 17 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.810 0.360 18222 7489 1 17 . 1 1 78 78 VAL CA C 78 64.650 64.650 65.277 -0.627 18222 7490 1 17 . 1 1 78 78 VAL H H 78 8.140 8.140 8.656 -0.516 18222 7491 1 17 . 1 1 79 79 THR N N 79 112.100 112.100 116.736 -4.636 18222 7492 1 17 . 1 1 79 79 THR CA C 79 63.460 63.460 66.496 -3.036 18222 7493 1 17 . 1 1 79 79 THR CB C 79 68.650 68.650 68.525 0.125 18222 7494 1 17 . 1 1 79 79 THR H H 79 7.640 7.640 8.009 -0.369 18222 7495 1 17 . 1 1 80 80 ARG N N 80 120.770 120.770 121.854 -1.084 18222 7496 1 17 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.056 0.104 18222 7497 1 17 . 1 1 80 80 ARG CA C 80 56.790 56.790 59.335 -2.545 18222 7498 1 17 . 1 1 80 80 ARG CB C 80 29.430 29.430 29.925 -0.495 18222 7499 1 17 . 1 1 80 80 ARG H H 80 7.680 7.680 7.914 -0.234 18222 7500 1 17 . 1 1 81 81 VAL N N 81 118.370 118.370 119.566 -1.196 18222 7501 1 17 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.773 0.147 18222 7502 1 17 . 1 1 81 81 VAL CA C 81 63.340 63.340 65.722 -2.382 18222 7503 1 17 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.079 0.181 18222 7504 1 17 . 1 1 81 81 VAL H H 81 7.730 7.730 8.271 -0.541 18222 7505 1 17 . 1 1 82 82 GLU N N 82 120.620 120.620 119.613 1.007 18222 7506 1 17 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.681 -3.361 18222 7507 1 17 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.391 -1.461 18222 7508 1 17 . 1 1 82 82 GLU H H 82 7.920 7.920 8.558 -0.638 18222 7509 1 17 . 1 1 83 83 SER N N 83 116.240 116.240 115.665 0.575 18222 7510 1 17 . 1 1 83 83 SER CA C 83 59.250 59.250 61.907 -2.657 18222 7511 1 17 . 1 1 83 83 SER CB C 83 63.160 63.160 63.009 0.151 18222 7512 1 17 . 1 1 83 83 SER H H 83 7.960 7.960 8.079 -0.119 18222 7513 1 17 . 1 1 84 84 GLU N N 84 123.280 123.280 121.688 1.592 18222 7514 1 17 . 1 1 84 84 GLU HA H 84 4.080 4.080 4.011 0.069 18222 7515 1 17 . 1 1 84 84 GLU CA C 84 57.860 57.860 59.451 -1.591 18222 7516 1 17 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.721 -1.531 18222 7517 1 17 . 1 1 84 84 GLU H H 84 8.470 8.470 8.061 0.409 18222 7518 1 17 . 1 1 85 85 LYS N N 85 118.650 118.650 119.609 -0.959 18222 7519 1 17 . 1 1 85 85 LYS HA H 85 4.100 4.100 4.139 -0.039 18222 7520 1 17 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.461 -1.681 18222 7521 1 17 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.352 -0.972 18222 7522 1 17 . 1 1 85 85 LYS H H 85 7.940 7.940 8.160 -0.220 18222 7523 1 17 . 1 1 86 86 CYS N N 86 117.070 117.070 118.504 -1.434 18222 7524 1 17 . 1 1 86 86 CYS CA C 86 60.910 60.910 61.752 -0.842 18222 7525 1 17 . 1 1 86 86 CYS CB C 86 26.740 26.740 26.258 0.482 18222 7526 1 17 . 1 1 86 86 CYS H H 86 7.840 7.840 8.428 -0.588 18222 7527 1 17 . 1 1 87 87 ASN N N 87 119.370 119.370 119.431 -0.061 18222 7528 1 17 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.623 -0.493 18222 7529 1 17 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.541 -0.791 18222 7530 1 17 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.389 -0.339 18222 7531 1 17 . 1 1 87 87 ASN H H 87 8.110 8.110 8.573 -0.463 18222 7532 1 17 . 1 1 88 88 ASN N N 88 117.570 117.570 119.587 -2.017 18222 7533 1 17 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.429 -0.149 18222 7534 1 17 . 1 1 88 88 ASN CA C 88 55.190 55.190 56.736 -1.546 18222 7535 1 17 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.753 -1.353 18222 7536 1 17 . 1 1 88 88 ASN H H 88 8.280 8.280 8.362 -0.082 18222 7537 1 17 . 1 1 89 89 LEU N N 89 121.940 121.940 121.828 0.112 18222 7538 1 17 . 1 1 89 89 LEU HA H 89 4.070 4.070 4.203 -0.133 18222 7539 1 17 . 1 1 89 89 LEU CA C 89 57.580 57.580 58.481 -0.901 18222 7540 1 17 . 1 1 89 89 LEU CB C 89 40.490 40.490 42.135 -1.645 18222 7541 1 17 . 1 1 89 89 LEU H H 89 7.790 7.790 8.191 -0.401 18222 7542 1 17 . 1 1 90 90 TRP N N 90 119.220 119.220 121.478 -2.258 18222 7543 1 17 . 1 1 90 90 TRP CA C 90 59.120 59.120 60.812 -1.692 18222 7544 1 17 . 1 1 90 90 TRP CB C 90 28.800 28.800 28.968 -0.168 18222 7545 1 17 . 1 1 90 90 TRP H H 90 7.850 7.850 8.716 -0.866 18222 7546 1 17 . 1 1 91 91 LEU N N 91 117.870 117.870 119.973 -2.103 18222 7547 1 17 . 1 1 91 91 LEU CA C 91 57.300 57.300 58.049 -0.749 18222 7548 1 17 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.612 -1.002 18222 7549 1 17 . 1 1 91 91 LEU H H 91 7.920 7.920 7.963 -0.043 18222 7550 1 17 . 1 1 92 92 PHE N N 92 121.280 121.280 117.182 4.098 18222 7551 1 17 . 1 1 92 92 PHE CA C 92 60.390 60.390 61.599 -1.209 18222 7552 1 17 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.728 -0.748 18222 7553 1 17 . 1 1 92 92 PHE H H 92 7.860 7.860 7.848 0.012 18222 7554 1 17 . 1 1 93 93 LEU N N 93 119.860 119.860 120.644 -0.784 18222 7555 1 17 . 1 1 93 93 LEU CA C 93 56.860 56.860 57.973 -1.113 18222 7556 1 17 . 1 1 93 93 LEU CB C 93 40.550 40.550 41.507 -0.957 18222 7557 1 17 . 1 1 93 93 LEU H H 93 7.980 7.980 8.712 -0.732 18222 7558 1 17 . 1 1 94 94 GLU N N 94 114.660 114.660 118.509 -3.849 18222 7559 1 17 . 1 1 94 94 GLU HA H 94 3.810 3.810 4.143 -0.333 18222 7560 1 17 . 1 1 94 94 GLU CA C 94 57.210 57.210 58.917 -1.707 18222 7561 1 17 . 1 1 94 94 GLU CB C 94 28.470 28.470 29.410 -0.940 18222 7562 1 17 . 1 1 94 94 GLU H H 94 7.890 7.890 8.106 -0.216 18222 7563 1 17 . 1 1 95 95 THR N N 95 108.260 108.260 111.545 -3.285 18222 7564 1 17 . 1 1 95 95 THR CA C 95 62.150 62.150 62.135 0.015 18222 7565 1 17 . 1 1 95 95 THR CB C 95 70.810 70.810 69.575 1.236 18222 7566 1 17 . 1 1 95 95 THR H H 95 7.690 7.690 7.863 -0.173 18222 7567 1 17 . 1 1 96 96 GLY N N 96 112.220 112.220 109.986 2.234 18222 7568 1 17 . 1 1 96 96 GLY CA C 96 45.410 45.410 45.064 0.346 18222 7569 1 17 . 1 1 96 96 GLY H H 96 8.240 8.240 7.546 0.694 18222 7570 1 17 . 1 1 97 97 GLN N N 97 117.950 117.950 119.921 -1.971 18222 7571 1 17 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.355 -0.155 18222 7572 1 17 . 1 1 97 97 GLN CA C 97 54.430 54.430 55.574 -1.144 18222 7573 1 17 . 1 1 97 97 GLN CB C 97 29.910 29.910 29.954 -0.044 18222 7574 1 17 . 1 1 97 97 GLN H H 97 7.640 7.640 7.972 -0.332 18222 7575 1 17 . 1 1 98 98 LEU N N 98 123.810 123.810 126.216 -2.406 18222 7576 1 17 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.361 -0.001 18222 7577 1 17 . 1 1 98 98 LEU CA C 98 52.650 52.650 53.391 -0.741 18222 7578 1 17 . 1 1 98 98 LEU CB C 98 40.460 40.460 41.441 -0.981 18222 7579 1 17 . 1 1 98 98 LEU H H 98 8.270 8.270 8.372 -0.102 18222 7580 1 17 . 1 1 99 99 PRO CA C 99 63.180 63.180 61.915 1.265 18222 7581 1 17 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.666 -1.826 18222 7582 1 17 . 1 1 100 100 LYS N N 100 120.630 120.630 120.645 -0.015 18222 7583 1 17 . 1 1 100 100 LYS CA C 100 55.730 55.730 58.461 -2.731 18222 7584 1 17 . 1 1 100 100 LYS CB C 100 32.280 32.280 32.605 -0.326 18222 7585 1 17 . 1 1 100 100 LYS H H 100 8.090 8.090 8.416 -0.326 18222 7586 1 17 . 1 1 101 101 ASP N N 101 120.920 120.920 116.374 4.546 18222 7587 1 17 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.666 -0.476 18222 7588 1 17 . 1 1 101 101 ASP CA C 101 54.000 54.000 53.873 0.127 18222 7589 1 17 . 1 1 101 101 ASP CB C 101 40.330 40.330 42.181 -1.851 18222 7590 1 17 . 1 1 101 101 ASP H H 101 8.190 8.190 8.040 0.150 18222 7591 1 17 . 1 1 102 102 ARG N N 102 122.210 122.210 119.940 2.270 18222 7592 1 17 . 1 1 102 102 ARG CA C 102 55.590 55.590 55.424 0.166 18222 7593 1 17 . 1 1 102 102 ARG CB C 102 29.630 29.630 30.922 -1.292 18222 7594 1 17 . 1 1 102 102 ARG H H 102 8.130 8.130 8.232 -0.102 18222 7595 1 17 . 1 1 103 103 SER N N 103 117.230 117.230 119.482 -2.252 18222 7596 1 17 . 1 1 103 103 SER HA H 103 4.280 4.280 4.659 -0.379 18222 7597 1 17 . 1 1 103 103 SER CA C 103 58.470 58.470 57.774 0.696 18222 7598 1 17 . 1 1 103 103 SER CB C 103 63.080 63.080 64.145 -1.065 18222 7599 1 17 . 1 1 103 103 SER H H 103 8.290 8.290 8.486 -0.196 18222 7600 1 17 . 1 1 104 104 THR N N 104 115.430 115.430 119.091 -3.661 18222 7601 1 17 . 1 1 104 104 THR CA C 104 61.570 61.570 63.368 -1.798 18222 7602 1 17 . 1 1 104 104 THR CB C 104 69.030 69.030 69.426 -0.396 18222 7603 1 17 . 1 1 104 104 THR H H 104 8.020 8.020 8.460 -0.440 18222 7604 1 17 . 1 1 105 105 ASP N N 105 122.780 122.780 124.830 -2.050 18222 7605 1 17 . 1 1 105 105 ASP CA C 105 54.210 54.210 53.737 0.473 18222 7606 1 17 . 1 1 105 105 ASP CB C 105 40.380 40.380 42.561 -2.181 18222 7607 1 17 . 1 1 105 105 ASP H H 105 8.120 8.120 8.364 -0.244 18222 7608 1 17 . 1 1 106 106 GLN N N 106 120.960 120.960 120.831 0.129 18222 7609 1 17 . 1 1 106 106 GLN CA C 106 55.420 55.420 56.113 -0.693 18222 7610 1 17 . 1 1 106 106 GLN CB C 106 28.310 28.310 30.098 -1.788 18222 7611 1 17 . 1 1 106 106 GLN H H 106 8.140 8.140 8.649 -0.509 18222 7612 1 17 . 1 1 107 107 ARG N N 107 123.010 123.010 124.493 -1.483 18222 7613 1 17 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.625 -0.415 18222 7614 1 17 . 1 1 107 107 ARG CA C 107 55.560 55.560 56.435 -0.875 18222 7615 1 17 . 1 1 107 107 ARG CB C 107 29.920 29.920 31.292 -1.372 18222 7616 1 17 . 1 1 107 107 ARG H H 107 8.180 8.180 8.628 -0.448 18222 7617 1 18 . 1 1 2 2 VAL N N 2 121.590 121.590 124.504 -2.914 18222 7618 1 18 . 1 1 2 2 VAL CA C 2 61.600 61.600 62.486 -0.886 18222 7619 1 18 . 1 1 2 2 VAL CB C 2 31.900 31.900 33.181 -1.281 18222 7620 1 18 . 1 1 2 2 VAL H H 2 8.010 8.010 8.446 -0.436 18222 7621 1 18 . 1 1 3 3 ASN N N 3 122.520 122.520 123.267 -0.747 18222 7622 1 18 . 1 1 3 3 ASN HA H 3 4.020 4.020 4.664 -0.644 18222 7623 1 18 . 1 1 3 3 ASN CA C 3 52.640 52.640 54.132 -1.492 18222 7624 1 18 . 1 1 3 3 ASN CB C 3 38.330 38.330 38.636 -0.305 18222 7625 1 18 . 1 1 3 3 ASN H H 3 8.360 8.360 8.795 -0.435 18222 7626 1 18 . 1 1 4 4 LEU N N 4 123.830 123.830 120.957 2.873 18222 7627 1 18 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.167 0.053 18222 7628 1 18 . 1 1 4 4 LEU CA C 4 54.620 54.620 55.977 -1.357 18222 7629 1 18 . 1 1 4 4 LEU CB C 4 41.680 41.680 42.276 -0.596 18222 7630 1 18 . 1 1 4 4 LEU H H 4 8.220 8.220 8.027 0.193 18222 7631 1 18 . 1 1 5 5 GLY N N 5 106.810 106.810 105.693 1.117 18222 7632 1 18 . 1 1 5 5 GLY CA C 5 45.800 45.800 44.337 1.463 18222 7633 1 18 . 1 1 5 5 GLY H H 5 8.030 8.030 7.694 0.336 18222 7634 1 18 . 1 1 6 6 LEU N N 6 120.820 120.820 122.274 -1.454 18222 7635 1 18 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.604 -0.554 18222 7636 1 18 . 1 1 6 6 LEU CA C 6 55.990 55.990 54.749 1.241 18222 7637 1 18 . 1 1 6 6 LEU CB C 6 40.800 40.800 41.661 -0.861 18222 7638 1 18 . 1 1 6 6 LEU H H 6 8.030 8.030 8.415 -0.385 18222 7639 1 18 . 1 1 7 7 SER N N 7 115.540 115.540 116.062 -0.522 18222 7640 1 18 . 1 1 7 7 SER HA H 7 4.100 4.100 4.015 0.085 18222 7641 1 18 . 1 1 7 7 SER CA C 7 60.580 60.580 61.999 -1.419 18222 7642 1 18 . 1 1 7 7 SER CB C 7 62.060 62.060 63.135 -1.075 18222 7643 1 18 . 1 1 7 7 SER H H 7 8.360 8.360 8.400 -0.040 18222 7644 1 18 . 1 1 8 8 ARG N N 8 120.690 120.690 120.343 0.347 18222 7645 1 18 . 1 1 8 8 ARG HA H 8 4.160 4.160 3.983 0.177 18222 7646 1 18 . 1 1 8 8 ARG CA C 8 57.350 57.350 59.522 -2.171 18222 7647 1 18 . 1 1 8 8 ARG CB C 8 29.230 29.230 30.111 -0.881 18222 7648 1 18 . 1 1 8 8 ARG H H 8 7.830 7.830 8.299 -0.469 18222 7649 1 18 . 1 1 9 9 VAL N N 9 119.330 119.330 118.759 0.571 18222 7650 1 18 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.647 0.523 18222 7651 1 18 . 1 1 9 9 VAL CA C 9 64.720 64.720 66.608 -1.888 18222 7652 1 18 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.720 -0.820 18222 7653 1 18 . 1 1 9 9 VAL H H 9 7.620 7.620 7.984 -0.364 18222 7654 1 18 . 1 1 10 10 ASP N N 10 119.520 119.520 120.556 -1.036 18222 7655 1 18 . 1 1 10 10 ASP CA C 10 54.960 54.960 58.239 -3.279 18222 7656 1 18 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.670 -2.870 18222 7657 1 18 . 1 1 10 10 ASP H H 10 8.180 8.180 8.242 -0.062 18222 7658 1 18 . 1 1 11 11 ASP N N 11 121.550 121.550 120.200 1.350 18222 7659 1 18 . 1 1 11 11 ASP CA C 11 54.440 54.440 57.211 -2.771 18222 7660 1 18 . 1 1 11 11 ASP CB C 11 37.840 37.840 40.785 -2.945 18222 7661 1 18 . 1 1 11 11 ASP H H 11 7.950 7.950 8.197 -0.247 18222 7662 1 18 . 1 1 12 12 ALA N N 12 120.220 120.220 122.775 -2.555 18222 7663 1 18 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.451 -1.081 18222 7664 1 18 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.450 6.280 18222 7665 1 18 . 1 1 12 12 ALA H H 12 8.090 8.090 8.017 0.073 18222 7666 1 18 . 1 1 13 13 VAL N N 13 116.910 116.910 116.305 0.605 18222 7667 1 18 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.751 0.389 18222 7668 1 18 . 1 1 13 13 VAL CA C 13 64.900 64.900 64.432 0.468 18222 7669 1 18 . 1 1 13 13 VAL CB C 13 31.000 31.000 30.477 0.522 18222 7670 1 18 . 1 1 13 13 VAL H H 13 7.980 7.980 8.029 -0.049 18222 7671 1 18 . 1 1 14 14 ALA N N 14 122.200 122.200 123.289 -1.089 18222 7672 1 18 . 1 1 14 14 ALA HA H 14 4.020 4.020 4.026 -0.006 18222 7673 1 18 . 1 1 14 14 ALA CA C 14 53.800 53.800 54.993 -1.193 18222 7674 1 18 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.089 -0.299 18222 7675 1 18 . 1 1 14 14 ALA H H 14 8.030 8.030 7.925 0.105 18222 7676 1 18 . 1 1 15 15 ALA N N 15 118.600 118.600 119.616 -1.016 18222 7677 1 18 . 1 1 15 15 ALA CA C 15 53.230 53.230 53.962 -0.732 18222 7678 1 18 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.564 -0.554 18222 7679 1 18 . 1 1 15 15 ALA H H 15 7.530 7.530 8.198 -0.668 18222 7680 1 18 . 1 1 16 16 LYS N N 16 115.820 115.820 117.375 -1.555 18222 7681 1 18 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.258 -0.178 18222 7682 1 18 . 1 1 16 16 LYS CA C 16 55.670 55.670 56.904 -1.234 18222 7683 1 18 . 1 1 16 16 LYS CB C 16 32.640 32.640 33.002 -0.362 18222 7684 1 18 . 1 1 16 16 LYS H H 16 7.490 7.490 7.426 0.064 18222 7685 1 18 . 1 1 17 17 HIS N N 17 116.790 116.790 119.550 -2.760 18222 7686 1 18 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.875 -0.775 18222 7687 1 18 . 1 1 17 17 HIS CA C 17 52.820 52.820 53.026 -0.206 18222 7688 1 18 . 1 1 17 17 HIS CB C 17 28.400 28.400 31.200 -2.800 18222 7689 1 18 . 1 1 17 17 HIS H H 17 8.130 8.130 7.595 0.535 18222 7690 1 18 . 1 1 18 18 PRO CA C 18 63.800 63.800 62.582 1.218 18222 7691 1 18 . 1 1 18 18 PRO CB C 18 30.800 30.800 32.825 -2.025 18222 7692 1 18 . 1 1 19 19 GLY N N 19 110.260 110.260 107.515 2.745 18222 7693 1 18 . 1 1 19 19 GLY CA C 19 45.490 45.490 44.729 0.761 18222 7694 1 18 . 1 1 19 19 GLY H H 19 8.730 8.730 8.202 0.528 18222 7695 1 18 . 1 1 20 20 LEU N N 20 122.650 122.650 123.077 -0.427 18222 7696 1 18 . 1 1 20 20 LEU HA H 20 4.090 4.090 3.891 0.199 18222 7697 1 18 . 1 1 20 20 LEU CA C 20 57.060 57.060 57.401 -0.341 18222 7698 1 18 . 1 1 20 20 LEU H H 20 7.980 7.980 8.489 -0.509 18222 7699 1 18 . 1 1 21 21 GLY N N 21 107.000 107.000 107.598 -0.598 18222 7700 1 18 . 1 1 21 21 GLY CA C 21 46.710 46.710 46.780 -0.070 18222 7701 1 18 . 1 1 21 21 GLY H H 21 8.570 8.570 8.393 0.177 18222 7702 1 18 . 1 1 22 22 GLU N N 22 121.610 121.610 122.220 -0.610 18222 7703 1 18 . 1 1 22 22 GLU HA H 22 3.990 3.990 4.170 -0.180 18222 7704 1 18 . 1 1 22 22 GLU CA C 22 58.280 58.280 59.168 -0.888 18222 7705 1 18 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.465 -1.454 18222 7706 1 18 . 1 1 22 22 GLU H H 22 8.100 8.100 8.477 -0.377 18222 7707 1 18 . 1 1 23 23 TYR N N 23 120.870 120.870 121.817 -0.947 18222 7708 1 18 . 1 1 23 23 TYR CA C 23 60.380 60.380 61.313 -0.933 18222 7709 1 18 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.492 -0.742 18222 7710 1 18 . 1 1 23 23 TYR H H 23 7.910 7.910 8.887 -0.977 18222 7711 1 18 . 1 1 24 24 ALA N N 24 121.420 121.420 120.675 0.745 18222 7712 1 18 . 1 1 24 24 ALA HA H 24 4.140 4.140 4.122 0.018 18222 7713 1 18 . 1 1 24 24 ALA CA C 24 54.260 54.260 54.633 -0.373 18222 7714 1 18 . 1 1 24 24 ALA H H 24 8.410 8.410 8.322 0.088 18222 7715 1 18 . 1 1 25 25 ALA N N 25 120.220 120.220 121.873 -1.653 18222 7716 1 18 . 1 1 25 25 ALA CA C 25 54.370 54.370 55.302 -0.932 18222 7717 1 18 . 1 1 25 25 ALA H H 25 8.090 8.090 8.271 -0.181 18222 7718 1 18 . 1 1 26 26 CYS N N 26 116.760 116.760 117.401 -0.641 18222 7719 1 18 . 1 1 26 26 CYS CA C 26 61.180 61.180 63.185 -2.005 18222 7720 1 18 . 1 1 26 26 CYS CB C 26 26.390 26.390 26.852 -0.462 18222 7721 1 18 . 1 1 26 26 CYS H H 26 7.950 7.950 8.468 -0.518 18222 7722 1 18 . 1 1 27 27 GLN N N 27 118.690 118.690 121.807 -3.117 18222 7723 1 18 . 1 1 27 27 GLN CA C 27 55.970 55.970 59.414 -3.445 18222 7724 1 18 . 1 1 27 27 GLN H H 27 8.060 8.060 8.340 -0.280 18222 7725 1 18 . 1 1 28 28 SER N N 28 115.490 115.490 114.463 1.027 18222 7726 1 18 . 1 1 28 28 SER HA H 28 3.990 3.990 4.252 -0.262 18222 7727 1 18 . 1 1 28 28 SER CA C 28 61.110 61.110 61.051 0.059 18222 7728 1 18 . 1 1 28 28 SER H H 28 7.980 7.980 8.532 -0.552 18222 7729 1 18 . 1 1 29 29 HIS N N 29 120.880 120.880 121.641 -0.761 18222 7730 1 18 . 1 1 29 29 HIS CA C 29 58.190 58.190 59.787 -1.597 18222 7731 1 18 . 1 1 29 29 HIS CB C 29 27.460 27.460 29.918 -2.458 18222 7732 1 18 . 1 1 29 29 HIS H H 29 8.180 8.180 8.214 -0.034 18222 7733 1 18 . 1 1 30 30 ALA N N 30 122.920 122.920 122.576 0.344 18222 7734 1 18 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.342 -0.782 18222 7735 1 18 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.427 -0.937 18222 7736 1 18 . 1 1 30 30 ALA H H 30 8.040 8.040 8.157 -0.117 18222 7737 1 18 . 1 1 31 31 PHE N N 31 119.340 119.340 119.437 -0.097 18222 7738 1 18 . 1 1 31 31 PHE CA C 31 60.370 60.370 61.263 -0.893 18222 7739 1 18 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.408 -0.888 18222 7740 1 18 . 1 1 31 31 PHE H H 31 8.230 8.230 8.398 -0.168 18222 7741 1 18 . 1 1 32 32 MET N N 32 118.110 118.110 120.240 -2.130 18222 7742 1 18 . 1 1 32 32 MET HA H 32 4.050 4.050 4.122 -0.072 18222 7743 1 18 . 1 1 32 32 MET CA C 32 58.280 58.280 59.448 -1.168 18222 7744 1 18 . 1 1 32 32 MET CB C 32 31.090 31.090 32.174 -1.084 18222 7745 1 18 . 1 1 32 32 MET H H 32 8.120 8.120 8.567 -0.447 18222 7746 1 18 . 1 1 33 33 LYS N N 33 119.040 119.040 119.333 -0.293 18222 7747 1 18 . 1 1 33 33 LYS HA H 33 3.930 3.930 3.996 -0.066 18222 7748 1 18 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.537 -0.497 18222 7749 1 18 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.362 -1.372 18222 7750 1 18 . 1 1 33 33 LYS H H 33 7.970 7.970 8.246 -0.276 18222 7751 1 18 . 1 1 34 34 GLY N N 34 108.840 108.840 107.827 1.013 18222 7752 1 18 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.257 -0.647 18222 7753 1 18 . 1 1 34 34 GLY H H 34 8.030 8.030 8.220 -0.190 18222 7754 1 18 . 1 1 35 35 VAL N N 35 122.910 122.910 122.330 0.580 18222 7755 1 18 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.656 0.564 18222 7756 1 18 . 1 1 35 35 VAL CA C 35 66.310 66.310 65.047 1.263 18222 7757 1 18 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.681 -1.121 18222 7758 1 18 . 1 1 35 35 VAL H H 35 8.090 8.090 8.117 -0.027 18222 7759 1 18 . 1 1 36 36 PHE N N 36 120.020 120.020 120.206 -0.186 18222 7760 1 18 . 1 1 36 36 PHE CA C 36 61.350 61.350 62.323 -0.973 18222 7761 1 18 . 1 1 36 36 PHE CB C 36 38.090 38.090 39.050 -0.960 18222 7762 1 18 . 1 1 36 36 PHE H H 36 8.350 8.350 8.352 -0.002 18222 7763 1 18 . 1 1 37 37 THR N N 37 116.980 116.980 115.754 1.226 18222 7764 1 18 . 1 1 37 37 THR HA H 37 4.050 4.050 3.974 0.076 18222 7765 1 18 . 1 1 37 37 THR CA C 37 66.000 66.000 67.243 -1.243 18222 7766 1 18 . 1 1 37 37 THR CB C 37 68.270 68.270 68.963 -0.693 18222 7767 1 18 . 1 1 37 37 THR H H 37 8.520 8.520 8.354 0.166 18222 7768 1 18 . 1 1 38 38 PHE N N 38 123.090 123.090 119.928 3.162 18222 7769 1 18 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.203 0.157 18222 7770 1 18 . 1 1 38 38 PHE CA C 38 61.140 61.140 61.724 -0.584 18222 7771 1 18 . 1 1 38 38 PHE CB C 38 41.200 41.200 39.244 1.956 18222 7772 1 18 . 1 1 38 38 PHE H H 38 8.010 8.010 7.935 0.075 18222 7773 1 18 . 1 1 39 39 VAL N N 39 117.280 117.280 119.202 -1.922 18222 7774 1 18 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.639 0.571 18222 7775 1 18 . 1 1 39 39 VAL CA C 39 66.000 66.000 66.784 -0.784 18222 7776 1 18 . 1 1 39 39 VAL CB C 39 30.860 30.860 31.706 -0.846 18222 7777 1 18 . 1 1 39 39 VAL H H 39 8.530 8.530 8.817 -0.287 18222 7778 1 18 . 1 1 40 40 THR N N 40 109.470 109.470 114.261 -4.791 18222 7779 1 18 . 1 1 40 40 THR HA H 40 4.060 4.060 4.207 -0.147 18222 7780 1 18 . 1 1 40 40 THR CA C 40 63.390 63.390 64.638 -1.248 18222 7781 1 18 . 1 1 40 40 THR CB C 40 68.650 68.650 68.011 0.639 18222 7782 1 18 . 1 1 40 40 THR H H 40 7.700 7.700 7.933 -0.233 18222 7783 1 18 . 1 1 41 41 GLY N N 41 110.770 110.770 110.732 0.038 18222 7784 1 18 . 1 1 41 41 GLY CA C 41 45.580 45.580 46.318 -0.738 18222 7785 1 18 . 1 1 41 41 GLY H H 41 7.700 7.700 8.124 -0.424 18222 7786 1 18 . 1 1 42 42 THR N N 42 114.520 114.520 116.142 -1.622 18222 7787 1 18 . 1 1 42 42 THR CA C 42 63.300 63.300 61.823 1.477 18222 7788 1 18 . 1 1 42 42 THR CB C 42 69.490 69.490 68.900 0.590 18222 7789 1 18 . 1 1 42 42 THR H H 42 7.720 7.720 7.316 0.404 18222 7790 1 18 . 1 1 43 43 GLY N N 43 109.540 109.540 110.146 -0.606 18222 7791 1 18 . 1 1 43 43 GLY CA C 43 46.250 46.250 46.712 -0.462 18222 7792 1 18 . 1 1 43 43 GLY H H 43 8.110 8.110 7.894 0.216 18222 7793 1 18 . 1 1 44 44 MET N N 44 120.240 120.240 119.602 0.638 18222 7794 1 18 . 1 1 44 44 MET HA H 44 4.100 4.100 4.171 -0.071 18222 7795 1 18 . 1 1 44 44 MET CA C 44 57.700 57.700 58.631 -0.931 18222 7796 1 18 . 1 1 44 44 MET CB C 44 32.030 32.030 31.665 0.365 18222 7797 1 18 . 1 1 44 44 MET H H 44 7.730 7.730 7.896 -0.166 18222 7798 1 18 . 1 1 45 45 ALA N N 45 121.560 121.560 123.129 -1.569 18222 7799 1 18 . 1 1 45 45 ALA CA C 45 54.440 54.440 55.138 -0.698 18222 7800 1 18 . 1 1 45 45 ALA CB C 45 17.400 17.400 17.629 -0.229 18222 7801 1 18 . 1 1 45 45 ALA H H 45 7.950 7.950 7.949 0.001 18222 7802 1 18 . 1 1 46 46 PHE N N 46 118.260 118.260 118.409 -0.149 18222 7803 1 18 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.251 -0.321 18222 7804 1 18 . 1 1 46 46 PHE CA C 46 59.820 59.820 61.074 -1.254 18222 7805 1 18 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.652 -0.392 18222 7806 1 18 . 1 1 46 46 PHE H H 46 7.860 7.860 7.813 0.047 18222 7807 1 18 . 1 1 47 47 GLY N N 47 107.300 107.300 107.963 -0.663 18222 7808 1 18 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.159 -0.599 18222 7809 1 18 . 1 1 47 47 GLY H H 47 8.200 8.200 8.476 -0.276 18222 7810 1 18 . 1 1 48 48 LEU N N 48 121.920 121.920 123.291 -1.371 18222 7811 1 18 . 1 1 48 48 LEU HA H 48 4.040 4.040 4.189 -0.149 18222 7812 1 18 . 1 1 48 48 LEU CA C 48 57.580 57.580 58.458 -0.878 18222 7813 1 18 . 1 1 48 48 LEU CB C 48 40.790 40.790 42.166 -1.376 18222 7814 1 18 . 1 1 48 48 LEU H H 48 8.180 8.180 8.572 -0.392 18222 7815 1 18 . 1 1 49 49 GLN N N 49 118.270 118.270 118.221 0.049 18222 7816 1 18 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.984 -0.154 18222 7817 1 18 . 1 1 49 49 GLN CA C 49 58.880 58.880 59.159 -0.279 18222 7818 1 18 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.610 -1.370 18222 7819 1 18 . 1 1 49 49 GLN H H 49 8.080 8.080 8.152 -0.072 18222 7820 1 18 . 1 1 50 50 MET N N 50 117.630 117.630 120.382 -2.752 18222 7821 1 18 . 1 1 50 50 MET HA H 50 4.010 4.010 4.148 -0.138 18222 7822 1 18 . 1 1 50 50 MET CA C 50 57.730 57.730 59.151 -1.421 18222 7823 1 18 . 1 1 50 50 MET CB C 50 27.160 27.160 32.614 -5.454 18222 7824 1 18 . 1 1 50 50 MET H H 50 7.880 7.880 8.111 -0.231 18222 7825 1 18 . 1 1 51 51 PHE N N 51 119.550 119.550 118.847 0.703 18222 7826 1 18 . 1 1 51 51 PHE CA C 51 60.850 60.850 61.954 -1.104 18222 7827 1 18 . 1 1 51 51 PHE CB C 51 38.720 38.720 39.041 -0.321 18222 7828 1 18 . 1 1 51 51 PHE H H 51 7.890 7.890 8.216 -0.326 18222 7829 1 18 . 1 1 52 52 ILE N N 52 117.950 117.950 117.956 -0.006 18222 7830 1 18 . 1 1 52 52 ILE HA H 52 4.050 4.050 3.983 0.067 18222 7831 1 18 . 1 1 52 52 ILE CA C 52 63.560 63.560 63.757 -0.197 18222 7832 1 18 . 1 1 52 52 ILE CB C 52 36.810 36.810 36.911 -0.101 18222 7833 1 18 . 1 1 52 52 ILE H H 52 8.110 8.110 8.223 -0.113 18222 7834 1 18 . 1 1 53 53 GLN N N 53 117.360 117.360 118.655 -1.295 18222 7835 1 18 . 1 1 53 53 GLN CA C 53 57.200 57.200 57.698 -0.498 18222 7836 1 18 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.354 -0.484 18222 7837 1 18 . 1 1 53 53 GLN H H 53 7.930 7.930 8.279 -0.349 18222 7838 1 18 . 1 1 54 54 ARG N N 54 116.840 116.840 119.613 -2.773 18222 7839 1 18 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.235 -0.285 18222 7840 1 18 . 1 1 54 54 ARG CA C 54 56.480 56.480 57.682 -1.202 18222 7841 1 18 . 1 1 54 54 ARG CB C 54 28.970 28.970 30.009 -1.039 18222 7842 1 18 . 1 1 54 54 ARG H H 54 7.540 7.540 7.851 -0.311 18222 7843 1 18 . 1 1 55 55 LYS N N 55 117.900 117.900 117.639 0.261 18222 7844 1 18 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.274 -0.194 18222 7845 1 18 . 1 1 55 55 LYS CA C 55 55.030 55.030 57.486 -2.456 18222 7846 1 18 . 1 1 55 55 LYS CB C 55 32.010 32.010 32.649 -0.639 18222 7847 1 18 . 1 1 55 55 LYS H H 55 7.660 7.660 7.389 0.271 18222 7848 1 18 . 1 1 56 56 PHE N N 56 121.060 121.060 121.178 -0.118 18222 7849 1 18 . 1 1 56 56 PHE CA C 56 55.190 55.190 55.469 -0.279 18222 7850 1 18 . 1 1 56 56 PHE CB C 56 38.970 38.970 39.765 -0.795 18222 7851 1 18 . 1 1 56 56 PHE H H 56 8.080 8.080 7.885 0.195 18222 7852 1 18 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.358 -0.969 18222 7853 1 18 . 1 1 57 57 PRO CB C 57 30.580 30.580 29.819 0.761 18222 7854 1 18 . 1 1 58 58 TYR N N 58 120.240 120.240 122.318 -2.078 18222 7855 1 18 . 1 1 58 58 TYR CA C 58 55.770 55.770 55.215 0.555 18222 7856 1 18 . 1 1 58 58 TYR CB C 58 40.220 40.220 40.797 -0.577 18222 7857 1 18 . 1 1 58 58 TYR H H 58 7.700 7.700 8.274 -0.574 18222 7858 1 18 . 1 1 59 59 PRO CA C 59 62.130 62.130 64.071 -1.941 18222 7859 1 18 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.105 1.234 18222 7860 1 18 . 1 1 60 60 LEU N N 60 122.210 122.210 119.810 2.400 18222 7861 1 18 . 1 1 60 60 LEU CA C 60 54.250 54.250 53.752 0.498 18222 7862 1 18 . 1 1 60 60 LEU CB C 60 41.470 41.470 44.222 -2.752 18222 7863 1 18 . 1 1 60 60 LEU H H 60 7.880 7.880 7.695 0.185 18222 7864 1 18 . 1 1 61 61 GLN N N 61 122.470 122.470 120.487 1.983 18222 7865 1 18 . 1 1 61 61 GLN CA C 61 54.170 54.170 55.694 -1.524 18222 7866 1 18 . 1 1 61 61 GLN H H 61 7.970 7.970 8.377 -0.407 18222 7867 1 18 . 1 1 62 62 TRP N N 62 124.590 124.590 126.401 -1.811 18222 7868 1 18 . 1 1 62 62 TRP CA C 62 59.830 59.830 62.256 -2.426 18222 7869 1 18 . 1 1 62 62 TRP CB C 62 28.800 28.800 29.628 -0.828 18222 7870 1 18 . 1 1 62 62 TRP H H 62 8.240 8.240 9.261 -1.021 18222 7871 1 18 . 1 1 63 63 SER N N 63 113.320 113.320 113.817 -0.497 18222 7872 1 18 . 1 1 63 63 SER CA C 63 61.100 61.100 61.561 -0.461 18222 7873 1 18 . 1 1 63 63 SER H H 63 8.410 8.410 8.364 0.046 18222 7874 1 18 . 1 1 64 64 LEU N N 64 123.230 123.230 123.172 0.058 18222 7875 1 18 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.251 -0.371 18222 7876 1 18 . 1 1 64 64 LEU CB C 64 40.830 40.830 41.326 -0.496 18222 7877 1 18 . 1 1 64 64 LEU H H 64 7.230 7.230 7.657 -0.427 18222 7878 1 18 . 1 1 65 65 LEU N N 65 119.400 119.400 120.968 -1.568 18222 7879 1 18 . 1 1 65 65 LEU HA H 65 3.890 3.890 3.980 -0.090 18222 7880 1 18 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.439 -0.859 18222 7881 1 18 . 1 1 65 65 LEU CB C 65 40.710 40.710 41.980 -1.270 18222 7882 1 18 . 1 1 65 65 LEU H H 65 7.510 7.510 8.734 -1.224 18222 7883 1 18 . 1 1 66 66 VAL N N 66 116.950 116.950 119.201 -2.251 18222 7884 1 18 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.733 0.227 18222 7885 1 18 . 1 1 66 66 VAL CA C 66 66.260 66.260 65.601 0.659 18222 7886 1 18 . 1 1 66 66 VAL CB C 66 30.570 30.570 31.370 -0.800 18222 7887 1 18 . 1 1 66 66 VAL H H 66 7.950 7.950 8.465 -0.515 18222 7888 1 18 . 1 1 67 67 ALA N N 67 120.650 120.650 122.674 -2.024 18222 7889 1 18 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.223 -0.223 18222 7890 1 18 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.289 -0.509 18222 7891 1 18 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.460 -1.020 18222 7892 1 18 . 1 1 67 67 ALA H H 67 7.450 7.450 8.285 -0.835 18222 7893 1 18 . 1 1 68 68 VAL N N 68 118.440 118.440 119.056 -0.616 18222 7894 1 18 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.658 0.092 18222 7895 1 18 . 1 1 68 68 VAL CA C 68 65.250 65.250 67.010 -1.760 18222 7896 1 18 . 1 1 68 68 VAL CB C 68 30.850 30.850 32.060 -1.210 18222 7897 1 18 . 1 1 68 68 VAL H H 68 7.960 7.960 7.766 0.194 18222 7898 1 18 . 1 1 69 69 VAL N N 69 120.800 120.800 120.216 0.584 18222 7899 1 18 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.617 0.603 18222 7900 1 18 . 1 1 69 69 VAL CA C 69 66.020 66.020 66.324 -0.304 18222 7901 1 18 . 1 1 69 69 VAL CB C 69 30.850 30.850 30.850 0.000 18222 7902 1 18 . 1 1 69 69 VAL H H 69 8.080 8.080 8.469 -0.389 18222 7903 1 18 . 1 1 70 70 ALA N N 70 121.740 121.740 120.818 0.922 18222 7904 1 18 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.251 -0.331 18222 7905 1 18 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.394 -0.474 18222 7906 1 18 . 1 1 70 70 ALA CB C 70 17.620 17.620 18.159 -0.539 18222 7907 1 18 . 1 1 70 70 ALA H H 70 8.660 8.660 8.564 0.096 18222 7908 1 18 . 1 1 71 71 GLY N N 71 103.450 103.450 107.021 -3.571 18222 7909 1 18 . 1 1 71 71 GLY CA C 71 46.300 46.300 46.916 -0.616 18222 7910 1 18 . 1 1 71 71 GLY H H 71 8.010 8.010 8.062 -0.052 18222 7911 1 18 . 1 1 72 72 SER N N 72 118.160 118.160 118.284 -0.124 18222 7912 1 18 . 1 1 72 72 SER CA C 72 61.260 61.260 61.465 -0.205 18222 7913 1 18 . 1 1 72 72 SER CB C 72 62.870 62.870 63.229 -0.359 18222 7914 1 18 . 1 1 72 72 SER H H 72 7.870 7.870 8.039 -0.169 18222 7915 1 18 . 1 1 73 73 VAL N N 73 121.340 121.340 122.747 -1.407 18222 7916 1 18 . 1 1 73 73 VAL CA C 73 65.750 65.750 67.438 -1.688 18222 7917 1 18 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.925 -1.185 18222 7918 1 18 . 1 1 73 73 VAL H H 73 8.050 8.050 8.147 -0.097 18222 7919 1 18 . 1 1 74 74 VAL N N 74 118.680 118.680 118.274 0.406 18222 7920 1 18 . 1 1 74 74 VAL CA C 74 65.770 65.770 66.172 -0.402 18222 7921 1 18 . 1 1 74 74 VAL CB C 74 30.740 30.740 30.976 -0.236 18222 7922 1 18 . 1 1 74 74 VAL H H 74 7.880 7.880 8.464 -0.584 18222 7923 1 18 . 1 1 75 75 SER N N 75 114.750 114.750 116.378 -1.628 18222 7924 1 18 . 1 1 75 75 SER HA H 75 4.100 4.100 4.172 -0.072 18222 7925 1 18 . 1 1 75 75 SER CA C 75 60.870 60.870 61.789 -0.919 18222 7926 1 18 . 1 1 75 75 SER CB C 75 62.340 62.340 63.055 -0.715 18222 7927 1 18 . 1 1 75 75 SER H H 75 7.870 7.870 7.953 -0.083 18222 7928 1 18 . 1 1 76 76 TYR N N 76 121.110 121.110 123.179 -2.069 18222 7929 1 18 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.653 -1.603 18222 7930 1 18 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.668 -0.688 18222 7931 1 18 . 1 1 76 76 TYR H H 76 7.860 7.860 8.643 -0.783 18222 7932 1 18 . 1 1 77 77 GLY N N 77 107.300 107.300 106.666 0.634 18222 7933 1 18 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.330 -0.770 18222 7934 1 18 . 1 1 77 77 GLY H H 77 8.200 8.200 8.541 -0.341 18222 7935 1 18 . 1 1 78 78 VAL N N 78 119.470 119.470 121.502 -2.032 18222 7936 1 18 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.682 0.488 18222 7937 1 18 . 1 1 78 78 VAL CA C 78 64.650 64.650 66.175 -1.525 18222 7938 1 18 . 1 1 78 78 VAL H H 78 8.140 8.140 8.642 -0.502 18222 7939 1 18 . 1 1 79 79 THR N N 79 112.100 112.100 116.937 -4.837 18222 7940 1 18 . 1 1 79 79 THR CA C 79 63.460 63.460 66.958 -3.498 18222 7941 1 18 . 1 1 79 79 THR CB C 79 68.650 68.650 68.374 0.276 18222 7942 1 18 . 1 1 79 79 THR H H 79 7.640 7.640 7.994 -0.354 18222 7943 1 18 . 1 1 80 80 ARG N N 80 120.770 120.770 122.276 -1.506 18222 7944 1 18 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.058 0.102 18222 7945 1 18 . 1 1 80 80 ARG CA C 80 56.790 56.790 59.501 -2.711 18222 7946 1 18 . 1 1 80 80 ARG CB C 80 29.430 29.430 30.199 -0.769 18222 7947 1 18 . 1 1 80 80 ARG H H 80 7.680 7.680 7.934 -0.254 18222 7948 1 18 . 1 1 81 81 VAL N N 81 118.370 118.370 120.231 -1.861 18222 7949 1 18 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.611 0.309 18222 7950 1 18 . 1 1 81 81 VAL CA C 81 63.340 63.340 67.298 -3.958 18222 7951 1 18 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.888 -0.628 18222 7952 1 18 . 1 1 81 81 VAL H H 81 7.730 7.730 8.286 -0.556 18222 7953 1 18 . 1 1 82 82 GLU N N 82 120.620 120.620 119.118 1.502 18222 7954 1 18 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.553 -3.233 18222 7955 1 18 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.351 -1.421 18222 7956 1 18 . 1 1 82 82 GLU H H 82 7.920 7.920 8.378 -0.458 18222 7957 1 18 . 1 1 83 83 SER N N 83 116.240 116.240 115.599 0.641 18222 7958 1 18 . 1 1 83 83 SER CA C 83 59.250 59.250 61.955 -2.705 18222 7959 1 18 . 1 1 83 83 SER CB C 83 63.160 63.160 62.805 0.355 18222 7960 1 18 . 1 1 83 83 SER H H 83 7.960 7.960 7.968 -0.008 18222 7961 1 18 . 1 1 84 84 GLU N N 84 123.280 123.280 121.775 1.505 18222 7962 1 18 . 1 1 84 84 GLU HA H 84 4.080 4.080 3.963 0.117 18222 7963 1 18 . 1 1 84 84 GLU CA C 84 57.860 57.860 59.651 -1.791 18222 7964 1 18 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.563 -1.373 18222 7965 1 18 . 1 1 84 84 GLU H H 84 8.470 8.470 8.016 0.454 18222 7966 1 18 . 1 1 85 85 LYS N N 85 118.650 118.650 119.629 -0.979 18222 7967 1 18 . 1 1 85 85 LYS HA H 85 4.100 4.100 4.118 -0.018 18222 7968 1 18 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.303 -1.523 18222 7969 1 18 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.471 -1.091 18222 7970 1 18 . 1 1 85 85 LYS H H 85 7.940 7.940 8.042 -0.102 18222 7971 1 18 . 1 1 86 86 CYS N N 86 117.070 117.070 118.692 -1.622 18222 7972 1 18 . 1 1 86 86 CYS CA C 86 60.910 60.910 62.575 -1.665 18222 7973 1 18 . 1 1 86 86 CYS CB C 86 26.740 26.740 26.125 0.615 18222 7974 1 18 . 1 1 86 86 CYS H H 86 7.840 7.840 8.406 -0.566 18222 7975 1 18 . 1 1 87 87 ASN N N 87 119.370 119.370 119.263 0.107 18222 7976 1 18 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.443 -0.313 18222 7977 1 18 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.389 -0.639 18222 7978 1 18 . 1 1 87 87 ASN CB C 87 38.050 38.050 37.987 0.063 18222 7979 1 18 . 1 1 87 87 ASN H H 87 8.110 8.110 8.597 -0.487 18222 7980 1 18 . 1 1 88 88 ASN N N 88 117.570 117.570 119.704 -2.134 18222 7981 1 18 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.343 -0.063 18222 7982 1 18 . 1 1 88 88 ASN CA C 88 55.190 55.190 56.285 -1.095 18222 7983 1 18 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.493 -1.093 18222 7984 1 18 . 1 1 88 88 ASN H H 88 8.280 8.280 8.260 0.020 18222 7985 1 18 . 1 1 89 89 LEU N N 89 121.940 121.940 121.965 -0.025 18222 7986 1 18 . 1 1 89 89 LEU HA H 89 4.070 4.070 4.352 -0.282 18222 7987 1 18 . 1 1 89 89 LEU CA C 89 57.580 57.580 59.197 -1.617 18222 7988 1 18 . 1 1 89 89 LEU CB C 89 40.490 40.490 42.137 -1.647 18222 7989 1 18 . 1 1 89 89 LEU H H 89 7.790 7.790 8.463 -0.673 18222 7990 1 18 . 1 1 90 90 TRP N N 90 119.220 119.220 120.192 -0.972 18222 7991 1 18 . 1 1 90 90 TRP CA C 90 59.120 59.120 62.148 -3.028 18222 7992 1 18 . 1 1 90 90 TRP CB C 90 28.800 28.800 28.996 -0.196 18222 7993 1 18 . 1 1 90 90 TRP H H 90 7.850 7.850 8.608 -0.758 18222 7994 1 18 . 1 1 91 91 LEU N N 91 117.870 117.870 120.928 -3.058 18222 7995 1 18 . 1 1 91 91 LEU CA C 91 57.300 57.300 58.214 -0.914 18222 7996 1 18 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.821 -1.211 18222 7997 1 18 . 1 1 91 91 LEU H H 91 7.920 7.920 8.619 -0.699 18222 7998 1 18 . 1 1 92 92 PHE N N 92 121.280 121.280 117.789 3.491 18222 7999 1 18 . 1 1 92 92 PHE CA C 92 60.390 60.390 61.345 -0.955 18222 8000 1 18 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.292 -0.312 18222 8001 1 18 . 1 1 92 92 PHE H H 92 7.860 7.860 8.082 -0.222 18222 8002 1 18 . 1 1 93 93 LEU N N 93 119.860 119.860 121.773 -1.913 18222 8003 1 18 . 1 1 93 93 LEU CA C 93 56.860 56.860 57.878 -1.018 18222 8004 1 18 . 1 1 93 93 LEU CB C 93 40.550 40.550 41.255 -0.705 18222 8005 1 18 . 1 1 93 93 LEU H H 93 7.980 7.980 8.571 -0.591 18222 8006 1 18 . 1 1 94 94 GLU N N 94 114.660 114.660 117.671 -3.011 18222 8007 1 18 . 1 1 94 94 GLU HA H 94 3.810 3.810 4.002 -0.192 18222 8008 1 18 . 1 1 94 94 GLU CA C 94 57.210 57.210 58.980 -1.770 18222 8009 1 18 . 1 1 94 94 GLU CB C 94 28.470 28.470 29.451 -0.981 18222 8010 1 18 . 1 1 94 94 GLU H H 94 7.890 7.890 8.358 -0.468 18222 8011 1 18 . 1 1 95 95 THR N N 95 108.260 108.260 112.012 -3.752 18222 8012 1 18 . 1 1 95 95 THR CA C 95 62.150 62.150 62.775 -0.625 18222 8013 1 18 . 1 1 95 95 THR CB C 95 70.810 70.810 69.574 1.236 18222 8014 1 18 . 1 1 95 95 THR H H 95 7.690 7.690 7.678 0.013 18222 8015 1 18 . 1 1 96 96 GLY N N 96 112.220 112.220 109.906 2.314 18222 8016 1 18 . 1 1 96 96 GLY CA C 96 45.410 45.410 44.717 0.693 18222 8017 1 18 . 1 1 96 96 GLY H H 96 8.240 8.240 7.577 0.663 18222 8018 1 18 . 1 1 97 97 GLN N N 97 117.950 117.950 119.435 -1.485 18222 8019 1 18 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.079 0.121 18222 8020 1 18 . 1 1 97 97 GLN CA C 97 54.430 54.430 56.730 -2.300 18222 8021 1 18 . 1 1 97 97 GLN CB C 97 29.910 29.910 29.558 0.352 18222 8022 1 18 . 1 1 97 97 GLN H H 97 7.640 7.640 7.874 -0.234 18222 8023 1 18 . 1 1 98 98 LEU N N 98 123.810 123.810 123.175 0.635 18222 8024 1 18 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.294 0.066 18222 8025 1 18 . 1 1 98 98 LEU CA C 98 52.650 52.650 54.548 -1.898 18222 8026 1 18 . 1 1 98 98 LEU CB C 98 40.460 40.460 42.129 -1.669 18222 8027 1 18 . 1 1 98 98 LEU H H 98 8.270 8.270 8.474 -0.204 18222 8028 1 18 . 1 1 99 99 PRO CA C 99 63.180 63.180 62.423 0.757 18222 8029 1 18 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.612 -1.772 18222 8030 1 18 . 1 1 100 100 LYS N N 100 120.630 120.630 119.043 1.587 18222 8031 1 18 . 1 1 100 100 LYS CA C 100 55.730 55.730 56.433 -0.703 18222 8032 1 18 . 1 1 100 100 LYS CB C 100 32.280 32.280 33.217 -0.937 18222 8033 1 18 . 1 1 100 100 LYS H H 100 8.090 8.090 8.216 -0.126 18222 8034 1 18 . 1 1 101 101 ASP N N 101 120.920 120.920 121.073 -0.153 18222 8035 1 18 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.799 -0.609 18222 8036 1 18 . 1 1 101 101 ASP CA C 101 54.000 54.000 53.589 0.411 18222 8037 1 18 . 1 1 101 101 ASP CB C 101 40.330 40.330 41.996 -1.666 18222 8038 1 18 . 1 1 101 101 ASP H H 101 8.190 8.190 8.026 0.164 18222 8039 1 18 . 1 1 102 102 ARG N N 102 122.210 122.210 120.794 1.416 18222 8040 1 18 . 1 1 102 102 ARG CA C 102 55.590 55.590 55.562 0.028 18222 8041 1 18 . 1 1 102 102 ARG CB C 102 29.630 29.630 31.932 -2.302 18222 8042 1 18 . 1 1 102 102 ARG H H 102 8.130 8.130 8.631 -0.501 18222 8043 1 18 . 1 1 103 103 SER N N 103 117.230 117.230 118.313 -1.083 18222 8044 1 18 . 1 1 103 103 SER HA H 103 4.280 4.280 4.459 -0.179 18222 8045 1 18 . 1 1 103 103 SER CA C 103 58.470 58.470 58.804 -0.334 18222 8046 1 18 . 1 1 103 103 SER CB C 103 63.080 63.080 63.788 -0.708 18222 8047 1 18 . 1 1 103 103 SER H H 103 8.290 8.290 8.492 -0.202 18222 8048 1 18 . 1 1 104 104 THR N N 104 115.430 115.430 115.865 -0.435 18222 8049 1 18 . 1 1 104 104 THR CA C 104 61.570 61.570 63.096 -1.526 18222 8050 1 18 . 1 1 104 104 THR CB C 104 69.030 69.030 69.270 -0.240 18222 8051 1 18 . 1 1 104 104 THR H H 104 8.020 8.020 8.524 -0.504 18222 8052 1 18 . 1 1 105 105 ASP N N 105 122.780 122.780 123.522 -0.742 18222 8053 1 18 . 1 1 105 105 ASP CA C 105 54.210 54.210 53.810 0.400 18222 8054 1 18 . 1 1 105 105 ASP CB C 105 40.380 40.380 42.044 -1.664 18222 8055 1 18 . 1 1 105 105 ASP H H 105 8.120 8.120 8.291 -0.171 18222 8056 1 18 . 1 1 106 106 GLN N N 106 120.960 120.960 122.103 -1.143 18222 8057 1 18 . 1 1 106 106 GLN CA C 106 55.420 55.420 55.421 -0.001 18222 8058 1 18 . 1 1 106 106 GLN CB C 106 28.310 28.310 29.841 -1.532 18222 8059 1 18 . 1 1 106 106 GLN H H 106 8.140 8.140 8.694 -0.554 18222 8060 1 18 . 1 1 107 107 ARG N N 107 123.010 123.010 124.754 -1.744 18222 8061 1 18 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.607 -0.397 18222 8062 1 18 . 1 1 107 107 ARG CA C 107 55.560 55.560 55.610 -0.050 18222 8063 1 18 . 1 1 107 107 ARG CB C 107 29.920 29.920 31.252 -1.332 18222 8064 1 18 . 1 1 107 107 ARG H H 107 8.180 8.180 8.717 -0.537 18222 8065 1 19 . 1 1 2 2 VAL N N 2 121.590 121.590 123.452 -1.862 18222 8066 1 19 . 1 1 2 2 VAL CA C 2 61.600 61.600 61.334 0.266 18222 8067 1 19 . 1 1 2 2 VAL CB C 2 31.900 31.900 34.136 -2.236 18222 8068 1 19 . 1 1 2 2 VAL H H 2 8.010 8.010 8.263 -0.253 18222 8069 1 19 . 1 1 3 3 ASN N N 3 122.520 122.520 121.866 0.654 18222 8070 1 19 . 1 1 3 3 ASN HA H 3 4.020 4.020 4.653 -0.633 18222 8071 1 19 . 1 1 3 3 ASN CA C 3 52.640 52.640 53.900 -1.260 18222 8072 1 19 . 1 1 3 3 ASN CB C 3 38.330 38.330 39.589 -1.259 18222 8073 1 19 . 1 1 3 3 ASN H H 3 8.360 8.360 8.248 0.112 18222 8074 1 19 . 1 1 4 4 LEU N N 4 123.830 123.830 122.974 0.856 18222 8075 1 19 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.388 -0.168 18222 8076 1 19 . 1 1 4 4 LEU CA C 4 54.620 54.620 55.779 -1.159 18222 8077 1 19 . 1 1 4 4 LEU CB C 4 41.680 41.680 42.054 -0.374 18222 8078 1 19 . 1 1 4 4 LEU H H 4 8.220 8.220 8.230 -0.010 18222 8079 1 19 . 1 1 5 5 GLY N N 5 106.810 106.810 106.813 -0.003 18222 8080 1 19 . 1 1 5 5 GLY CA C 5 45.800 45.800 45.613 0.187 18222 8081 1 19 . 1 1 5 5 GLY H H 5 8.030 8.030 8.109 -0.079 18222 8082 1 19 . 1 1 6 6 LEU N N 6 120.820 120.820 120.626 0.194 18222 8083 1 19 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.354 -0.304 18222 8084 1 19 . 1 1 6 6 LEU CA C 6 55.990 55.990 56.932 -0.942 18222 8085 1 19 . 1 1 6 6 LEU CB C 6 40.800 40.800 40.966 -0.166 18222 8086 1 19 . 1 1 6 6 LEU H H 6 8.030 8.030 8.039 -0.009 18222 8087 1 19 . 1 1 7 7 SER N N 7 115.540 115.540 116.309 -0.769 18222 8088 1 19 . 1 1 7 7 SER HA H 7 4.100 4.100 4.134 -0.034 18222 8089 1 19 . 1 1 7 7 SER CA C 7 60.580 60.580 62.172 -1.592 18222 8090 1 19 . 1 1 7 7 SER CB C 7 62.060 62.060 62.894 -0.834 18222 8091 1 19 . 1 1 7 7 SER H H 7 8.360 8.360 8.570 -0.210 18222 8092 1 19 . 1 1 8 8 ARG N N 8 120.690 120.690 121.211 -0.521 18222 8093 1 19 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.139 0.021 18222 8094 1 19 . 1 1 8 8 ARG CA C 8 57.350 57.350 58.771 -1.421 18222 8095 1 19 . 1 1 8 8 ARG CB C 8 29.230 29.230 29.985 -0.755 18222 8096 1 19 . 1 1 8 8 ARG H H 8 7.830 7.830 7.708 0.122 18222 8097 1 19 . 1 1 9 9 VAL N N 9 119.330 119.330 121.262 -1.932 18222 8098 1 19 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.728 0.442 18222 8099 1 19 . 1 1 9 9 VAL CA C 9 64.720 64.720 67.025 -2.305 18222 8100 1 19 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.109 -0.209 18222 8101 1 19 . 1 1 9 9 VAL H H 9 7.620 7.620 7.691 -0.072 18222 8102 1 19 . 1 1 10 10 ASP N N 10 119.520 119.520 119.973 -0.453 18222 8103 1 19 . 1 1 10 10 ASP CA C 10 54.960 54.960 57.614 -2.654 18222 8104 1 19 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.633 -2.833 18222 8105 1 19 . 1 1 10 10 ASP H H 10 8.180 8.180 8.399 -0.219 18222 8106 1 19 . 1 1 11 11 ASP N N 11 121.550 121.550 121.363 0.187 18222 8107 1 19 . 1 1 11 11 ASP CA C 11 54.440 54.440 57.138 -2.698 18222 8108 1 19 . 1 1 11 11 ASP CB C 11 37.840 37.840 40.570 -2.730 18222 8109 1 19 . 1 1 11 11 ASP H H 11 7.950 7.950 8.232 -0.282 18222 8110 1 19 . 1 1 12 12 ALA N N 12 120.220 120.220 122.480 -2.260 18222 8111 1 19 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.226 -0.856 18222 8112 1 19 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.512 6.218 18222 8113 1 19 . 1 1 12 12 ALA H H 12 8.090 8.090 8.095 -0.005 18222 8114 1 19 . 1 1 13 13 VAL N N 13 116.910 116.910 118.483 -1.573 18222 8115 1 19 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.705 0.435 18222 8116 1 19 . 1 1 13 13 VAL CA C 13 64.900 64.900 65.142 -0.242 18222 8117 1 19 . 1 1 13 13 VAL CB C 13 31.000 31.000 30.787 0.213 18222 8118 1 19 . 1 1 13 13 VAL H H 13 7.980 7.980 8.289 -0.309 18222 8119 1 19 . 1 1 14 14 ALA N N 14 122.200 122.200 122.420 -0.220 18222 8120 1 19 . 1 1 14 14 ALA HA H 14 4.020 4.020 4.258 -0.238 18222 8121 1 19 . 1 1 14 14 ALA CA C 14 53.800 53.800 54.854 -1.054 18222 8122 1 19 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.340 -0.550 18222 8123 1 19 . 1 1 14 14 ALA H H 14 8.030 8.030 7.960 0.070 18222 8124 1 19 . 1 1 15 15 ALA N N 15 118.600 118.600 119.497 -0.897 18222 8125 1 19 . 1 1 15 15 ALA CA C 15 53.230 53.230 54.059 -0.829 18222 8126 1 19 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.457 -0.447 18222 8127 1 19 . 1 1 15 15 ALA H H 15 7.530 7.530 8.219 -0.689 18222 8128 1 19 . 1 1 16 16 LYS N N 16 115.820 115.820 117.267 -1.447 18222 8129 1 19 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.248 -0.168 18222 8130 1 19 . 1 1 16 16 LYS CA C 16 55.670 55.670 56.789 -1.119 18222 8131 1 19 . 1 1 16 16 LYS CB C 16 32.640 32.640 33.257 -0.617 18222 8132 1 19 . 1 1 16 16 LYS H H 16 7.490 7.490 7.489 0.001 18222 8133 1 19 . 1 1 17 17 HIS N N 17 116.790 116.790 119.482 -2.692 18222 8134 1 19 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.980 -0.880 18222 8135 1 19 . 1 1 17 17 HIS CA C 17 52.820 52.820 53.021 -0.201 18222 8136 1 19 . 1 1 17 17 HIS CB C 17 28.400 28.400 30.997 -2.597 18222 8137 1 19 . 1 1 17 17 HIS H H 17 8.130 8.130 7.737 0.393 18222 8138 1 19 . 1 1 18 18 PRO CA C 18 63.800 63.800 63.156 0.644 18222 8139 1 19 . 1 1 18 18 PRO CB C 18 30.800 30.800 32.320 -1.520 18222 8140 1 19 . 1 1 19 19 GLY N N 19 110.260 110.260 110.624 -0.364 18222 8141 1 19 . 1 1 19 19 GLY CA C 19 45.490 45.490 45.402 0.088 18222 8142 1 19 . 1 1 19 19 GLY H H 19 8.730 8.730 8.186 0.544 18222 8143 1 19 . 1 1 20 20 LEU N N 20 122.650 122.650 123.046 -0.396 18222 8144 1 19 . 1 1 20 20 LEU HA H 20 4.090 4.090 3.490 0.600 18222 8145 1 19 . 1 1 20 20 LEU CA C 20 57.060 57.060 58.517 -1.456 18222 8146 1 19 . 1 1 20 20 LEU H H 20 7.980 7.980 8.227 -0.247 18222 8147 1 19 . 1 1 21 21 GLY N N 21 107.000 107.000 105.060 1.940 18222 8148 1 19 . 1 1 21 21 GLY CA C 21 46.710 46.710 46.738 -0.028 18222 8149 1 19 . 1 1 21 21 GLY H H 21 8.570 8.570 8.348 0.222 18222 8150 1 19 . 1 1 22 22 GLU N N 22 121.610 121.610 122.191 -0.581 18222 8151 1 19 . 1 1 22 22 GLU HA H 22 3.990 3.990 4.108 -0.118 18222 8152 1 19 . 1 1 22 22 GLU CA C 22 58.280 58.280 59.136 -0.856 18222 8153 1 19 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.313 -1.303 18222 8154 1 19 . 1 1 22 22 GLU H H 22 8.100 8.100 8.238 -0.138 18222 8155 1 19 . 1 1 23 23 TYR N N 23 120.870 120.870 119.795 1.075 18222 8156 1 19 . 1 1 23 23 TYR CA C 23 60.380 60.380 61.708 -1.328 18222 8157 1 19 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.314 -0.564 18222 8158 1 19 . 1 1 23 23 TYR H H 23 7.910 7.910 8.999 -1.089 18222 8159 1 19 . 1 1 24 24 ALA N N 24 121.420 121.420 121.148 0.272 18222 8160 1 19 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.895 0.245 18222 8161 1 19 . 1 1 24 24 ALA CA C 24 54.260 54.260 54.716 -0.456 18222 8162 1 19 . 1 1 24 24 ALA H H 24 8.410 8.410 8.401 0.009 18222 8163 1 19 . 1 1 25 25 ALA N N 25 120.220 120.220 123.129 -2.909 18222 8164 1 19 . 1 1 25 25 ALA CA C 25 54.370 54.370 54.819 -0.450 18222 8165 1 19 . 1 1 25 25 ALA H H 25 8.090 8.090 8.035 0.055 18222 8166 1 19 . 1 1 26 26 CYS N N 26 116.760 116.760 117.509 -0.749 18222 8167 1 19 . 1 1 26 26 CYS CA C 26 61.180 61.180 63.117 -1.937 18222 8168 1 19 . 1 1 26 26 CYS CB C 26 26.390 26.390 27.517 -1.127 18222 8169 1 19 . 1 1 26 26 CYS H H 26 7.950 7.950 8.231 -0.281 18222 8170 1 19 . 1 1 27 27 GLN N N 27 118.690 118.690 120.141 -1.451 18222 8171 1 19 . 1 1 27 27 GLN CA C 27 55.970 55.970 59.626 -3.656 18222 8172 1 19 . 1 1 27 27 GLN H H 27 8.060 8.060 8.403 -0.343 18222 8173 1 19 . 1 1 28 28 SER N N 28 115.490 115.490 116.423 -0.933 18222 8174 1 19 . 1 1 28 28 SER HA H 28 3.990 3.990 4.172 -0.182 18222 8175 1 19 . 1 1 28 28 SER CA C 28 61.110 61.110 61.798 -0.688 18222 8176 1 19 . 1 1 28 28 SER H H 28 7.980 7.980 8.402 -0.422 18222 8177 1 19 . 1 1 29 29 HIS N N 29 120.880 120.880 122.671 -1.791 18222 8178 1 19 . 1 1 29 29 HIS CA C 29 58.190 58.190 60.645 -2.455 18222 8179 1 19 . 1 1 29 29 HIS CB C 29 27.460 27.460 29.705 -2.245 18222 8180 1 19 . 1 1 29 29 HIS H H 29 8.180 8.180 8.558 -0.378 18222 8181 1 19 . 1 1 30 30 ALA N N 30 122.920 122.920 122.530 0.390 18222 8182 1 19 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.416 -0.856 18222 8183 1 19 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.384 -0.894 18222 8184 1 19 . 1 1 30 30 ALA H H 30 8.040 8.040 8.074 -0.034 18222 8185 1 19 . 1 1 31 31 PHE N N 31 119.340 119.340 118.894 0.446 18222 8186 1 19 . 1 1 31 31 PHE CA C 31 60.370 60.370 61.934 -1.564 18222 8187 1 19 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.262 -0.742 18222 8188 1 19 . 1 1 31 31 PHE H H 31 8.230 8.230 8.398 -0.168 18222 8189 1 19 . 1 1 32 32 MET N N 32 118.110 118.110 120.446 -2.336 18222 8190 1 19 . 1 1 32 32 MET HA H 32 4.050 4.050 4.049 0.001 18222 8191 1 19 . 1 1 32 32 MET CA C 32 58.280 58.280 59.383 -1.103 18222 8192 1 19 . 1 1 32 32 MET CB C 32 31.090 31.090 32.240 -1.150 18222 8193 1 19 . 1 1 32 32 MET H H 32 8.120 8.120 8.642 -0.522 18222 8194 1 19 . 1 1 33 33 LYS N N 33 119.040 119.040 119.253 -0.213 18222 8195 1 19 . 1 1 33 33 LYS HA H 33 3.930 3.930 3.890 0.040 18222 8196 1 19 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.950 -0.910 18222 8197 1 19 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.397 -1.407 18222 8198 1 19 . 1 1 33 33 LYS H H 33 7.970 7.970 8.266 -0.296 18222 8199 1 19 . 1 1 34 34 GLY N N 34 108.840 108.840 107.774 1.066 18222 8200 1 19 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.242 -0.632 18222 8201 1 19 . 1 1 34 34 GLY H H 34 8.030 8.030 8.200 -0.170 18222 8202 1 19 . 1 1 35 35 VAL N N 35 122.910 122.910 121.954 0.956 18222 8203 1 19 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.673 0.547 18222 8204 1 19 . 1 1 35 35 VAL CA C 35 66.310 66.310 64.967 1.343 18222 8205 1 19 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.745 -1.185 18222 8206 1 19 . 1 1 35 35 VAL H H 35 8.090 8.090 8.314 -0.224 18222 8207 1 19 . 1 1 36 36 PHE N N 36 120.020 120.020 120.107 -0.087 18222 8208 1 19 . 1 1 36 36 PHE CA C 36 61.350 61.350 62.817 -1.467 18222 8209 1 19 . 1 1 36 36 PHE CB C 36 38.090 38.090 38.768 -0.678 18222 8210 1 19 . 1 1 36 36 PHE H H 36 8.350 8.350 8.313 0.037 18222 8211 1 19 . 1 1 37 37 THR N N 37 116.980 116.980 115.319 1.661 18222 8212 1 19 . 1 1 37 37 THR HA H 37 4.050 4.050 4.037 0.013 18222 8213 1 19 . 1 1 37 37 THR CA C 37 66.000 66.000 67.326 -1.325 18222 8214 1 19 . 1 1 37 37 THR CB C 37 68.270 68.270 68.814 -0.545 18222 8215 1 19 . 1 1 37 37 THR H H 37 8.520 8.520 8.289 0.231 18222 8216 1 19 . 1 1 38 38 PHE N N 38 123.090 123.090 118.575 4.515 18222 8217 1 19 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.220 0.140 18222 8218 1 19 . 1 1 38 38 PHE CA C 38 61.140 61.140 61.433 -0.293 18222 8219 1 19 . 1 1 38 38 PHE CB C 38 41.200 41.200 38.987 2.213 18222 8220 1 19 . 1 1 38 38 PHE H H 38 8.010 8.010 8.107 -0.097 18222 8221 1 19 . 1 1 39 39 VAL N N 39 117.280 117.280 119.228 -1.948 18222 8222 1 19 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.743 0.467 18222 8223 1 19 . 1 1 39 39 VAL CA C 39 66.000 66.000 66.031 -0.031 18222 8224 1 19 . 1 1 39 39 VAL CB C 39 30.860 30.860 32.084 -1.224 18222 8225 1 19 . 1 1 39 39 VAL H H 39 8.530 8.530 8.679 -0.149 18222 8226 1 19 . 1 1 40 40 THR N N 40 109.470 109.470 114.550 -5.080 18222 8227 1 19 . 1 1 40 40 THR HA H 40 4.060 4.060 4.267 -0.207 18222 8228 1 19 . 1 1 40 40 THR CA C 40 63.390 63.390 64.812 -1.422 18222 8229 1 19 . 1 1 40 40 THR CB C 40 68.650 68.650 68.164 0.486 18222 8230 1 19 . 1 1 40 40 THR H H 40 7.700 7.700 7.875 -0.175 18222 8231 1 19 . 1 1 41 41 GLY N N 41 110.770 110.770 110.748 0.022 18222 8232 1 19 . 1 1 41 41 GLY CA C 41 45.580 45.580 46.355 -0.774 18222 8233 1 19 . 1 1 41 41 GLY H H 41 7.700 7.700 8.022 -0.322 18222 8234 1 19 . 1 1 42 42 THR N N 42 114.520 114.520 115.272 -0.752 18222 8235 1 19 . 1 1 42 42 THR CA C 42 63.300 63.300 62.212 1.088 18222 8236 1 19 . 1 1 42 42 THR CB C 42 69.490 69.490 69.139 0.351 18222 8237 1 19 . 1 1 42 42 THR H H 42 7.720 7.720 7.379 0.341 18222 8238 1 19 . 1 1 43 43 GLY N N 43 109.540 109.540 109.730 -0.190 18222 8239 1 19 . 1 1 43 43 GLY CA C 43 46.250 46.250 46.606 -0.356 18222 8240 1 19 . 1 1 43 43 GLY H H 43 8.110 8.110 7.883 0.227 18222 8241 1 19 . 1 1 44 44 MET N N 44 120.240 120.240 120.788 -0.548 18222 8242 1 19 . 1 1 44 44 MET HA H 44 4.100 4.100 4.106 -0.006 18222 8243 1 19 . 1 1 44 44 MET CA C 44 57.700 57.700 58.923 -1.224 18222 8244 1 19 . 1 1 44 44 MET CB C 44 32.030 32.030 32.467 -0.437 18222 8245 1 19 . 1 1 44 44 MET H H 44 7.730 7.730 7.989 -0.259 18222 8246 1 19 . 1 1 45 45 ALA N N 45 121.560 121.560 121.898 -0.338 18222 8247 1 19 . 1 1 45 45 ALA CA C 45 54.440 54.440 55.049 -0.609 18222 8248 1 19 . 1 1 45 45 ALA CB C 45 17.400 17.400 17.817 -0.417 18222 8249 1 19 . 1 1 45 45 ALA H H 45 7.950 7.950 7.794 0.156 18222 8250 1 19 . 1 1 46 46 PHE N N 46 118.260 118.260 117.960 0.300 18222 8251 1 19 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.147 -0.217 18222 8252 1 19 . 1 1 46 46 PHE CA C 46 59.820 59.820 61.592 -1.772 18222 8253 1 19 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.683 -0.423 18222 8254 1 19 . 1 1 46 46 PHE H H 46 7.860 7.860 8.208 -0.348 18222 8255 1 19 . 1 1 47 47 GLY N N 47 107.300 107.300 107.746 -0.446 18222 8256 1 19 . 1 1 47 47 GLY CA C 47 46.560 46.560 46.996 -0.436 18222 8257 1 19 . 1 1 47 47 GLY H H 47 8.200 8.200 8.434 -0.234 18222 8258 1 19 . 1 1 48 48 LEU N N 48 121.920 121.920 123.270 -1.350 18222 8259 1 19 . 1 1 48 48 LEU HA H 48 4.040 4.040 4.094 -0.054 18222 8260 1 19 . 1 1 48 48 LEU CA C 48 57.580 57.580 58.224 -0.644 18222 8261 1 19 . 1 1 48 48 LEU CB C 48 40.790 40.790 42.121 -1.331 18222 8262 1 19 . 1 1 48 48 LEU H H 48 8.180 8.180 8.452 -0.272 18222 8263 1 19 . 1 1 49 49 GLN N N 49 118.270 118.270 118.681 -0.411 18222 8264 1 19 . 1 1 49 49 GLN HA H 49 3.830 3.830 4.022 -0.192 18222 8265 1 19 . 1 1 49 49 GLN CA C 49 58.880 58.880 58.758 0.123 18222 8266 1 19 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.505 -1.265 18222 8267 1 19 . 1 1 49 49 GLN H H 49 8.080 8.080 8.116 -0.036 18222 8268 1 19 . 1 1 50 50 MET N N 50 117.630 117.630 120.015 -2.385 18222 8269 1 19 . 1 1 50 50 MET HA H 50 4.010 4.010 4.109 -0.099 18222 8270 1 19 . 1 1 50 50 MET CA C 50 57.730 57.730 59.648 -1.918 18222 8271 1 19 . 1 1 50 50 MET CB C 50 27.160 27.160 32.812 -5.652 18222 8272 1 19 . 1 1 50 50 MET H H 50 7.880 7.880 8.134 -0.254 18222 8273 1 19 . 1 1 51 51 PHE N N 51 119.550 119.550 119.588 -0.038 18222 8274 1 19 . 1 1 51 51 PHE CA C 51 60.850 60.850 61.648 -0.798 18222 8275 1 19 . 1 1 51 51 PHE CB C 51 38.720 38.720 39.251 -0.531 18222 8276 1 19 . 1 1 51 51 PHE H H 51 7.890 7.890 8.238 -0.348 18222 8277 1 19 . 1 1 52 52 ILE N N 52 117.950 117.950 117.336 0.614 18222 8278 1 19 . 1 1 52 52 ILE HA H 52 4.050 4.050 3.742 0.308 18222 8279 1 19 . 1 1 52 52 ILE CA C 52 63.560 63.560 64.742 -1.181 18222 8280 1 19 . 1 1 52 52 ILE CB C 52 36.810 36.810 38.362 -1.552 18222 8281 1 19 . 1 1 52 52 ILE H H 52 8.110 8.110 8.003 0.107 18222 8282 1 19 . 1 1 53 53 GLN N N 53 117.360 117.360 118.581 -1.221 18222 8283 1 19 . 1 1 53 53 GLN CA C 53 57.200 57.200 58.138 -0.938 18222 8284 1 19 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.108 -0.238 18222 8285 1 19 . 1 1 53 53 GLN H H 53 7.930 7.930 8.454 -0.524 18222 8286 1 19 . 1 1 54 54 ARG N N 54 116.840 116.840 120.276 -3.436 18222 8287 1 19 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.148 -0.198 18222 8288 1 19 . 1 1 54 54 ARG CA C 54 56.480 56.480 57.877 -1.397 18222 8289 1 19 . 1 1 54 54 ARG CB C 54 28.970 28.970 29.904 -0.934 18222 8290 1 19 . 1 1 54 54 ARG H H 54 7.540 7.540 7.895 -0.355 18222 8291 1 19 . 1 1 55 55 LYS N N 55 117.900 117.900 117.085 0.815 18222 8292 1 19 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.230 -0.150 18222 8293 1 19 . 1 1 55 55 LYS CA C 55 55.030 55.030 56.822 -1.792 18222 8294 1 19 . 1 1 55 55 LYS CB C 55 32.010 32.010 32.159 -0.149 18222 8295 1 19 . 1 1 55 55 LYS H H 55 7.660 7.660 7.416 0.244 18222 8296 1 19 . 1 1 56 56 PHE N N 56 121.060 121.060 120.968 0.092 18222 8297 1 19 . 1 1 56 56 PHE CA C 56 55.190 55.190 55.955 -0.764 18222 8298 1 19 . 1 1 56 56 PHE CB C 56 38.970 38.970 39.419 -0.449 18222 8299 1 19 . 1 1 56 56 PHE H H 56 8.080 8.080 7.937 0.143 18222 8300 1 19 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.741 -1.351 18222 8301 1 19 . 1 1 57 57 PRO CB C 57 30.580 30.580 31.812 -1.232 18222 8302 1 19 . 1 1 58 58 TYR N N 58 120.240 120.240 120.281 -0.041 18222 8303 1 19 . 1 1 58 58 TYR CA C 58 55.770 55.770 54.972 0.798 18222 8304 1 19 . 1 1 58 58 TYR CB C 58 40.220 40.220 39.913 0.308 18222 8305 1 19 . 1 1 58 58 TYR H H 58 7.700 7.700 7.889 -0.189 18222 8306 1 19 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.956 -1.826 18222 8307 1 19 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.236 1.104 18222 8308 1 19 . 1 1 60 60 LEU N N 60 122.210 122.210 120.419 1.791 18222 8309 1 19 . 1 1 60 60 LEU CA C 60 54.250 54.250 54.070 0.180 18222 8310 1 19 . 1 1 60 60 LEU CB C 60 41.470 41.470 43.394 -1.924 18222 8311 1 19 . 1 1 60 60 LEU H H 60 7.880 7.880 7.909 -0.029 18222 8312 1 19 . 1 1 61 61 GLN N N 61 122.470 122.470 122.087 0.383 18222 8313 1 19 . 1 1 61 61 GLN CA C 61 54.170 54.170 55.256 -1.086 18222 8314 1 19 . 1 1 61 61 GLN H H 61 7.970 7.970 8.408 -0.438 18222 8315 1 19 . 1 1 62 62 TRP N N 62 124.590 124.590 124.087 0.503 18222 8316 1 19 . 1 1 62 62 TRP CA C 62 59.830 59.830 60.549 -0.719 18222 8317 1 19 . 1 1 62 62 TRP CB C 62 28.800 28.800 29.575 -0.775 18222 8318 1 19 . 1 1 62 62 TRP H H 62 8.240 8.240 8.843 -0.603 18222 8319 1 19 . 1 1 63 63 SER N N 63 113.320 113.320 114.300 -0.980 18222 8320 1 19 . 1 1 63 63 SER CA C 63 61.100 61.100 60.818 0.282 18222 8321 1 19 . 1 1 63 63 SER H H 63 8.410 8.410 8.035 0.375 18222 8322 1 19 . 1 1 64 64 LEU N N 64 123.230 123.230 122.573 0.657 18222 8323 1 19 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.626 -0.746 18222 8324 1 19 . 1 1 64 64 LEU CB C 64 40.830 40.830 41.766 -0.936 18222 8325 1 19 . 1 1 64 64 LEU H H 64 7.230 7.230 7.967 -0.737 18222 8326 1 19 . 1 1 65 65 LEU N N 65 119.400 119.400 119.659 -0.259 18222 8327 1 19 . 1 1 65 65 LEU HA H 65 3.890 3.890 3.919 -0.029 18222 8328 1 19 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.220 -0.640 18222 8329 1 19 . 1 1 65 65 LEU CB C 65 40.710 40.710 41.720 -1.010 18222 8330 1 19 . 1 1 65 65 LEU H H 65 7.510 7.510 8.726 -1.216 18222 8331 1 19 . 1 1 66 66 VAL N N 66 116.950 116.950 118.834 -1.884 18222 8332 1 19 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.462 0.498 18222 8333 1 19 . 1 1 66 66 VAL CA C 66 66.260 66.260 66.527 -0.267 18222 8334 1 19 . 1 1 66 66 VAL CB C 66 30.570 30.570 31.256 -0.686 18222 8335 1 19 . 1 1 66 66 VAL H H 66 7.950 7.950 7.854 0.096 18222 8336 1 19 . 1 1 67 67 ALA N N 67 120.650 120.650 122.735 -2.085 18222 8337 1 19 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.117 -0.117 18222 8338 1 19 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.239 -0.459 18222 8339 1 19 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.336 -0.896 18222 8340 1 19 . 1 1 67 67 ALA H H 67 7.450 7.450 8.017 -0.567 18222 8341 1 19 . 1 1 68 68 VAL N N 68 118.440 118.440 118.632 -0.192 18222 8342 1 19 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.542 0.208 18222 8343 1 19 . 1 1 68 68 VAL CA C 68 65.250 65.250 67.488 -2.238 18222 8344 1 19 . 1 1 68 68 VAL CB C 68 30.850 30.850 32.138 -1.288 18222 8345 1 19 . 1 1 68 68 VAL H H 68 7.960 7.960 7.973 -0.013 18222 8346 1 19 . 1 1 69 69 VAL N N 69 120.800 120.800 120.177 0.623 18222 8347 1 19 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.559 0.661 18222 8348 1 19 . 1 1 69 69 VAL CA C 69 66.020 66.020 67.175 -1.155 18222 8349 1 19 . 1 1 69 69 VAL CB C 69 30.850 30.850 31.195 -0.344 18222 8350 1 19 . 1 1 69 69 VAL H H 69 8.080 8.080 8.389 -0.309 18222 8351 1 19 . 1 1 70 70 ALA N N 70 121.740 121.740 120.742 0.998 18222 8352 1 19 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.178 -0.258 18222 8353 1 19 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.351 -0.431 18222 8354 1 19 . 1 1 70 70 ALA CB C 70 17.620 17.620 17.998 -0.378 18222 8355 1 19 . 1 1 70 70 ALA H H 70 8.660 8.660 8.500 0.160 18222 8356 1 19 . 1 1 71 71 GLY N N 71 103.450 103.450 106.848 -3.398 18222 8357 1 19 . 1 1 71 71 GLY CA C 71 46.300 46.300 46.944 -0.644 18222 8358 1 19 . 1 1 71 71 GLY H H 71 8.010 8.010 8.100 -0.090 18222 8359 1 19 . 1 1 72 72 SER N N 72 118.160 118.160 118.094 0.066 18222 8360 1 19 . 1 1 72 72 SER CA C 72 61.260 61.260 61.922 -0.662 18222 8361 1 19 . 1 1 72 72 SER CB C 72 62.870 62.870 63.207 -0.337 18222 8362 1 19 . 1 1 72 72 SER H H 72 7.870 7.870 8.025 -0.155 18222 8363 1 19 . 1 1 73 73 VAL N N 73 121.340 121.340 122.205 -0.865 18222 8364 1 19 . 1 1 73 73 VAL CA C 73 65.750 65.750 67.318 -1.568 18222 8365 1 19 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.792 -1.052 18222 8366 1 19 . 1 1 73 73 VAL H H 73 8.050 8.050 8.166 -0.116 18222 8367 1 19 . 1 1 74 74 VAL N N 74 118.680 118.680 118.998 -0.318 18222 8368 1 19 . 1 1 74 74 VAL CA C 74 65.770 65.770 65.524 0.246 18222 8369 1 19 . 1 1 74 74 VAL CB C 74 30.740 30.740 30.869 -0.129 18222 8370 1 19 . 1 1 74 74 VAL H H 74 7.880 7.880 8.482 -0.602 18222 8371 1 19 . 1 1 75 75 SER N N 75 114.750 114.750 116.655 -1.905 18222 8372 1 19 . 1 1 75 75 SER HA H 75 4.100 4.100 4.177 -0.077 18222 8373 1 19 . 1 1 75 75 SER CA C 75 60.870 60.870 62.631 -1.761 18222 8374 1 19 . 1 1 75 75 SER CB C 75 62.340 62.340 63.088 -0.748 18222 8375 1 19 . 1 1 75 75 SER H H 75 7.870 7.870 7.952 -0.082 18222 8376 1 19 . 1 1 76 76 TYR N N 76 121.110 121.110 121.491 -0.381 18222 8377 1 19 . 1 1 76 76 TYR CA C 76 60.050 60.050 62.071 -2.021 18222 8378 1 19 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.400 -0.420 18222 8379 1 19 . 1 1 76 76 TYR H H 76 7.860 7.860 8.436 -0.576 18222 8380 1 19 . 1 1 77 77 GLY N N 77 107.300 107.300 107.141 0.159 18222 8381 1 19 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.268 -0.708 18222 8382 1 19 . 1 1 77 77 GLY H H 77 8.200 8.200 8.553 -0.353 18222 8383 1 19 . 1 1 78 78 VAL N N 78 119.470 119.470 121.230 -1.760 18222 8384 1 19 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.828 0.342 18222 8385 1 19 . 1 1 78 78 VAL CA C 78 64.650 64.650 65.615 -0.966 18222 8386 1 19 . 1 1 78 78 VAL H H 78 8.140 8.140 8.555 -0.415 18222 8387 1 19 . 1 1 79 79 THR N N 79 112.100 112.100 116.463 -4.363 18222 8388 1 19 . 1 1 79 79 THR CA C 79 63.460 63.460 67.036 -3.576 18222 8389 1 19 . 1 1 79 79 THR CB C 79 68.650 68.650 68.520 0.130 18222 8390 1 19 . 1 1 79 79 THR H H 79 7.640 7.640 8.000 -0.360 18222 8391 1 19 . 1 1 80 80 ARG N N 80 120.770 120.770 121.908 -1.138 18222 8392 1 19 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.058 0.102 18222 8393 1 19 . 1 1 80 80 ARG CA C 80 56.790 56.790 59.893 -3.103 18222 8394 1 19 . 1 1 80 80 ARG CB C 80 29.430 29.430 30.243 -0.813 18222 8395 1 19 . 1 1 80 80 ARG H H 80 7.680 7.680 8.061 -0.381 18222 8396 1 19 . 1 1 81 81 VAL N N 81 118.370 118.370 120.130 -1.760 18222 8397 1 19 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.625 0.295 18222 8398 1 19 . 1 1 81 81 VAL CA C 81 63.340 63.340 67.005 -3.665 18222 8399 1 19 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.834 -0.574 18222 8400 1 19 . 1 1 81 81 VAL H H 81 7.730 7.730 8.309 -0.579 18222 8401 1 19 . 1 1 82 82 GLU N N 82 120.620 120.620 119.500 1.120 18222 8402 1 19 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.217 -2.897 18222 8403 1 19 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.359 -1.429 18222 8404 1 19 . 1 1 82 82 GLU H H 82 7.920 7.920 8.577 -0.657 18222 8405 1 19 . 1 1 83 83 SER N N 83 116.240 116.240 116.699 -0.459 18222 8406 1 19 . 1 1 83 83 SER CA C 83 59.250 59.250 61.893 -2.643 18222 8407 1 19 . 1 1 83 83 SER CB C 83 63.160 63.160 63.142 0.019 18222 8408 1 19 . 1 1 83 83 SER H H 83 7.960 7.960 7.958 0.002 18222 8409 1 19 . 1 1 84 84 GLU N N 84 123.280 123.280 122.000 1.280 18222 8410 1 19 . 1 1 84 84 GLU HA H 84 4.080 4.080 4.081 -0.001 18222 8411 1 19 . 1 1 84 84 GLU CA C 84 57.860 57.860 59.840 -1.980 18222 8412 1 19 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.578 -1.388 18222 8413 1 19 . 1 1 84 84 GLU H H 84 8.470 8.470 8.132 0.338 18222 8414 1 19 . 1 1 85 85 LYS N N 85 118.650 118.650 119.922 -1.272 18222 8415 1 19 . 1 1 85 85 LYS HA H 85 4.100 4.100 4.060 0.040 18222 8416 1 19 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.372 -1.592 18222 8417 1 19 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.571 -1.190 18222 8418 1 19 . 1 1 85 85 LYS H H 85 7.940 7.940 8.135 -0.195 18222 8419 1 19 . 1 1 86 86 CYS N N 86 117.070 117.070 118.276 -1.206 18222 8420 1 19 . 1 1 86 86 CYS CA C 86 60.910 60.910 62.775 -1.865 18222 8421 1 19 . 1 1 86 86 CYS CB C 86 26.740 26.740 26.684 0.056 18222 8422 1 19 . 1 1 86 86 CYS H H 86 7.840 7.840 8.168 -0.328 18222 8423 1 19 . 1 1 87 87 ASN N N 87 119.370 119.370 119.359 0.011 18222 8424 1 19 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.508 -0.378 18222 8425 1 19 . 1 1 87 87 ASN CA C 87 55.750 55.750 57.422 -1.672 18222 8426 1 19 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.281 -0.231 18222 8427 1 19 . 1 1 87 87 ASN H H 87 8.110 8.110 8.393 -0.283 18222 8428 1 19 . 1 1 88 88 ASN N N 88 117.570 117.570 119.269 -1.699 18222 8429 1 19 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.503 -0.223 18222 8430 1 19 . 1 1 88 88 ASN CA C 88 55.190 55.190 56.105 -0.916 18222 8431 1 19 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.510 -1.110 18222 8432 1 19 . 1 1 88 88 ASN H H 88 8.280 8.280 8.268 0.012 18222 8433 1 19 . 1 1 89 89 LEU N N 89 121.940 121.940 122.023 -0.083 18222 8434 1 19 . 1 1 89 89 LEU HA H 89 4.070 4.070 4.175 -0.105 18222 8435 1 19 . 1 1 89 89 LEU CA C 89 57.580 57.580 58.808 -1.228 18222 8436 1 19 . 1 1 89 89 LEU CB C 89 40.490 40.490 41.919 -1.429 18222 8437 1 19 . 1 1 89 89 LEU H H 89 7.790 7.790 8.367 -0.577 18222 8438 1 19 . 1 1 90 90 TRP N N 90 119.220 119.220 120.490 -1.270 18222 8439 1 19 . 1 1 90 90 TRP CA C 90 59.120 59.120 59.998 -0.878 18222 8440 1 19 . 1 1 90 90 TRP CB C 90 28.800 28.800 29.428 -0.628 18222 8441 1 19 . 1 1 90 90 TRP H H 90 7.850 7.850 8.450 -0.600 18222 8442 1 19 . 1 1 91 91 LEU N N 91 117.870 117.870 119.467 -1.597 18222 8443 1 19 . 1 1 91 91 LEU CA C 91 57.300 57.300 57.877 -0.577 18222 8444 1 19 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.482 -0.872 18222 8445 1 19 . 1 1 91 91 LEU H H 91 7.920 7.920 7.815 0.105 18222 8446 1 19 . 1 1 92 92 PHE N N 92 121.280 121.280 116.749 4.531 18222 8447 1 19 . 1 1 92 92 PHE CA C 92 60.390 60.390 61.578 -1.188 18222 8448 1 19 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.797 -0.817 18222 8449 1 19 . 1 1 92 92 PHE H H 92 7.860 7.860 7.909 -0.049 18222 8450 1 19 . 1 1 93 93 LEU N N 93 119.860 119.860 121.668 -1.808 18222 8451 1 19 . 1 1 93 93 LEU CA C 93 56.860 56.860 58.156 -1.296 18222 8452 1 19 . 1 1 93 93 LEU CB C 93 40.550 40.550 41.006 -0.456 18222 8453 1 19 . 1 1 93 93 LEU H H 93 7.980 7.980 8.867 -0.887 18222 8454 1 19 . 1 1 94 94 GLU N N 94 114.660 114.660 117.692 -3.032 18222 8455 1 19 . 1 1 94 94 GLU HA H 94 3.810 3.810 3.932 -0.122 18222 8456 1 19 . 1 1 94 94 GLU CA C 94 57.210 57.210 58.335 -1.125 18222 8457 1 19 . 1 1 94 94 GLU CB C 94 28.470 28.470 29.071 -0.601 18222 8458 1 19 . 1 1 94 94 GLU H H 94 7.890 7.890 8.261 -0.371 18222 8459 1 19 . 1 1 95 95 THR N N 95 108.260 108.260 112.632 -4.372 18222 8460 1 19 . 1 1 95 95 THR CA C 95 62.150 62.150 62.953 -0.803 18222 8461 1 19 . 1 1 95 95 THR CB C 95 70.810 70.810 69.229 1.581 18222 8462 1 19 . 1 1 95 95 THR H H 95 7.690 7.690 7.839 -0.149 18222 8463 1 19 . 1 1 96 96 GLY N N 96 112.220 112.220 110.325 1.895 18222 8464 1 19 . 1 1 96 96 GLY CA C 96 45.410 45.410 45.558 -0.148 18222 8465 1 19 . 1 1 96 96 GLY H H 96 8.240 8.240 8.135 0.105 18222 8466 1 19 . 1 1 97 97 GLN N N 97 117.950 117.950 118.637 -0.687 18222 8467 1 19 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.096 0.104 18222 8468 1 19 . 1 1 97 97 GLN CA C 97 54.430 54.430 56.906 -2.476 18222 8469 1 19 . 1 1 97 97 GLN CB C 97 29.910 29.910 29.774 0.136 18222 8470 1 19 . 1 1 97 97 GLN H H 97 7.640 7.640 7.598 0.042 18222 8471 1 19 . 1 1 98 98 LEU N N 98 123.810 123.810 122.493 1.317 18222 8472 1 19 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.284 0.076 18222 8473 1 19 . 1 1 98 98 LEU CA C 98 52.650 52.650 54.967 -2.317 18222 8474 1 19 . 1 1 98 98 LEU CB C 98 40.460 40.460 41.715 -1.254 18222 8475 1 19 . 1 1 98 98 LEU H H 98 8.270 8.270 8.509 -0.239 18222 8476 1 19 . 1 1 99 99 PRO CA C 99 63.180 63.180 62.525 0.655 18222 8477 1 19 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.372 -1.532 18222 8478 1 19 . 1 1 100 100 LYS N N 100 120.630 120.630 118.646 1.984 18222 8479 1 19 . 1 1 100 100 LYS CA C 100 55.730 55.730 55.455 0.275 18222 8480 1 19 . 1 1 100 100 LYS CB C 100 32.280 32.280 35.177 -2.897 18222 8481 1 19 . 1 1 100 100 LYS H H 100 8.090 8.090 8.438 -0.348 18222 8482 1 19 . 1 1 101 101 ASP N N 101 120.920 120.920 122.981 -2.061 18222 8483 1 19 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.517 -0.327 18222 8484 1 19 . 1 1 101 101 ASP CA C 101 54.000 54.000 55.138 -1.138 18222 8485 1 19 . 1 1 101 101 ASP CB C 101 40.330 40.330 41.545 -1.215 18222 8486 1 19 . 1 1 101 101 ASP H H 101 8.190 8.190 8.451 -0.261 18222 8487 1 19 . 1 1 102 102 ARG N N 102 122.210 122.210 121.964 0.246 18222 8488 1 19 . 1 1 102 102 ARG CA C 102 55.590 55.590 55.907 -0.317 18222 8489 1 19 . 1 1 102 102 ARG CB C 102 29.630 29.630 31.526 -1.896 18222 8490 1 19 . 1 1 102 102 ARG H H 102 8.130 8.130 8.449 -0.319 18222 8491 1 19 . 1 1 103 103 SER N N 103 117.230 117.230 118.794 -1.564 18222 8492 1 19 . 1 1 103 103 SER HA H 103 4.280 4.280 4.812 -0.532 18222 8493 1 19 . 1 1 103 103 SER CA C 103 58.470 58.470 57.724 0.746 18222 8494 1 19 . 1 1 103 103 SER CB C 103 63.080 63.080 64.364 -1.284 18222 8495 1 19 . 1 1 103 103 SER H H 103 8.290 8.290 8.555 -0.265 18222 8496 1 19 . 1 1 104 104 THR N N 104 115.430 115.430 117.316 -1.886 18222 8497 1 19 . 1 1 104 104 THR CA C 104 61.570 61.570 62.413 -0.843 18222 8498 1 19 . 1 1 104 104 THR CB C 104 69.030 69.030 70.863 -1.833 18222 8499 1 19 . 1 1 104 104 THR H H 104 8.020 8.020 8.007 0.013 18222 8500 1 19 . 1 1 105 105 ASP N N 105 122.780 122.780 121.317 1.463 18222 8501 1 19 . 1 1 105 105 ASP CA C 105 54.210 54.210 54.118 0.092 18222 8502 1 19 . 1 1 105 105 ASP CB C 105 40.380 40.380 41.706 -1.325 18222 8503 1 19 . 1 1 105 105 ASP H H 105 8.120 8.120 8.399 -0.279 18222 8504 1 19 . 1 1 106 106 GLN N N 106 120.960 120.960 119.737 1.223 18222 8505 1 19 . 1 1 106 106 GLN CA C 106 55.420 55.420 56.624 -1.204 18222 8506 1 19 . 1 1 106 106 GLN CB C 106 28.310 28.310 29.293 -0.983 18222 8507 1 19 . 1 1 106 106 GLN H H 106 8.140 8.140 8.412 -0.272 18222 8508 1 19 . 1 1 107 107 ARG N N 107 123.010 123.010 121.282 1.728 18222 8509 1 19 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.561 -0.351 18222 8510 1 19 . 1 1 107 107 ARG CA C 107 55.560 55.560 56.133 -0.573 18222 8511 1 19 . 1 1 107 107 ARG CB C 107 29.920 29.920 30.857 -0.937 18222 8512 1 19 . 1 1 107 107 ARG H H 107 8.180 8.180 8.621 -0.441 18222 8513 1 20 . 1 1 2 2 VAL N N 2 121.590 121.590 120.603 0.987 18222 8514 1 20 . 1 1 2 2 VAL CA C 2 61.600 61.600 61.918 -0.318 18222 8515 1 20 . 1 1 2 2 VAL CB C 2 31.900 31.900 33.069 -1.169 18222 8516 1 20 . 1 1 2 2 VAL H H 2 8.010 8.010 8.373 -0.363 18222 8517 1 20 . 1 1 3 3 ASN N N 3 122.520 122.520 121.816 0.704 18222 8518 1 20 . 1 1 3 3 ASN HA H 3 4.020 4.020 4.729 -0.709 18222 8519 1 20 . 1 1 3 3 ASN CA C 3 52.640 52.640 53.650 -1.010 18222 8520 1 20 . 1 1 3 3 ASN CB C 3 38.330 38.330 39.235 -0.905 18222 8521 1 20 . 1 1 3 3 ASN H H 3 8.360 8.360 8.824 -0.464 18222 8522 1 20 . 1 1 4 4 LEU N N 4 123.830 123.830 122.263 1.567 18222 8523 1 20 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.502 -0.282 18222 8524 1 20 . 1 1 4 4 LEU CA C 4 54.620 54.620 54.407 0.213 18222 8525 1 20 . 1 1 4 4 LEU CB C 4 41.680 41.680 42.025 -0.345 18222 8526 1 20 . 1 1 4 4 LEU H H 4 8.220 8.220 8.131 0.089 18222 8527 1 20 . 1 1 5 5 GLY N N 5 106.810 106.810 108.812 -2.002 18222 8528 1 20 . 1 1 5 5 GLY CA C 5 45.800 45.800 46.276 -0.476 18222 8529 1 20 . 1 1 5 5 GLY H H 5 8.030 8.030 7.581 0.449 18222 8530 1 20 . 1 1 6 6 LEU N N 6 120.820 120.820 122.912 -2.092 18222 8531 1 20 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.267 -0.217 18222 8532 1 20 . 1 1 6 6 LEU CA C 6 55.990 55.990 57.470 -1.480 18222 8533 1 20 . 1 1 6 6 LEU CB C 6 40.800 40.800 41.272 -0.472 18222 8534 1 20 . 1 1 6 6 LEU H H 6 8.030 8.030 8.479 -0.449 18222 8535 1 20 . 1 1 7 7 SER N N 7 115.540 115.540 114.820 0.720 18222 8536 1 20 . 1 1 7 7 SER HA H 7 4.100 4.100 4.143 -0.043 18222 8537 1 20 . 1 1 7 7 SER CA C 7 60.580 60.580 61.523 -0.943 18222 8538 1 20 . 1 1 7 7 SER CB C 7 62.060 62.060 62.425 -0.365 18222 8539 1 20 . 1 1 7 7 SER H H 7 8.360 8.360 8.495 -0.135 18222 8540 1 20 . 1 1 8 8 ARG N N 8 120.690 120.690 122.284 -1.594 18222 8541 1 20 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.114 0.046 18222 8542 1 20 . 1 1 8 8 ARG CA C 8 57.350 57.350 59.265 -1.915 18222 8543 1 20 . 1 1 8 8 ARG CB C 8 29.230 29.230 30.000 -0.770 18222 8544 1 20 . 1 1 8 8 ARG H H 8 7.830 7.830 8.192 -0.362 18222 8545 1 20 . 1 1 9 9 VAL N N 9 119.330 119.330 119.769 -0.439 18222 8546 1 20 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.634 0.536 18222 8547 1 20 . 1 1 9 9 VAL CA C 9 64.720 64.720 66.813 -2.093 18222 8548 1 20 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.841 -0.941 18222 8549 1 20 . 1 1 9 9 VAL H H 9 7.620 7.620 8.141 -0.521 18222 8550 1 20 . 1 1 10 10 ASP N N 10 119.520 119.520 119.672 -0.152 18222 8551 1 20 . 1 1 10 10 ASP CA C 10 54.960 54.960 57.784 -2.824 18222 8552 1 20 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.859 -3.059 18222 8553 1 20 . 1 1 10 10 ASP H H 10 8.180 8.180 8.145 0.035 18222 8554 1 20 . 1 1 11 11 ASP N N 11 121.550 121.550 121.032 0.518 18222 8555 1 20 . 1 1 11 11 ASP CA C 11 54.440 54.440 57.039 -2.599 18222 8556 1 20 . 1 1 11 11 ASP CB C 11 37.840 37.840 40.893 -3.053 18222 8557 1 20 . 1 1 11 11 ASP H H 11 7.950 7.950 8.088 -0.138 18222 8558 1 20 . 1 1 12 12 ALA N N 12 120.220 120.220 122.355 -2.135 18222 8559 1 20 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.274 -0.904 18222 8560 1 20 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.489 6.241 18222 8561 1 20 . 1 1 12 12 ALA H H 12 8.090 8.090 8.072 0.018 18222 8562 1 20 . 1 1 13 13 VAL N N 13 116.910 116.910 118.544 -1.634 18222 8563 1 20 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.689 0.451 18222 8564 1 20 . 1 1 13 13 VAL CA C 13 64.900 64.900 65.117 -0.217 18222 8565 1 20 . 1 1 13 13 VAL CB C 13 31.000 31.000 30.525 0.475 18222 8566 1 20 . 1 1 13 13 VAL H H 13 7.980 7.980 8.327 -0.347 18222 8567 1 20 . 1 1 14 14 ALA N N 14 122.200 122.200 122.790 -0.590 18222 8568 1 20 . 1 1 14 14 ALA HA H 14 4.020 4.020 4.347 -0.327 18222 8569 1 20 . 1 1 14 14 ALA CA C 14 53.800 53.800 54.991 -1.191 18222 8570 1 20 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.389 -0.598 18222 8571 1 20 . 1 1 14 14 ALA H H 14 8.030 8.030 7.962 0.068 18222 8572 1 20 . 1 1 15 15 ALA N N 15 118.600 118.600 119.850 -1.250 18222 8573 1 20 . 1 1 15 15 ALA CA C 15 53.230 53.230 54.544 -1.314 18222 8574 1 20 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.628 -0.618 18222 8575 1 20 . 1 1 15 15 ALA H H 15 7.530 7.530 8.100 -0.570 18222 8576 1 20 . 1 1 16 16 LYS N N 16 115.820 115.820 116.976 -1.156 18222 8577 1 20 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.247 -0.167 18222 8578 1 20 . 1 1 16 16 LYS CA C 16 55.670 55.670 57.625 -1.955 18222 8579 1 20 . 1 1 16 16 LYS CB C 16 32.640 32.640 33.809 -1.169 18222 8580 1 20 . 1 1 16 16 LYS H H 16 7.490 7.490 7.829 -0.339 18222 8581 1 20 . 1 1 17 17 HIS N N 17 116.790 116.790 118.585 -1.795 18222 8582 1 20 . 1 1 17 17 HIS HA H 17 4.100 4.100 5.000 -0.900 18222 8583 1 20 . 1 1 17 17 HIS CA C 17 52.820 52.820 53.211 -0.391 18222 8584 1 20 . 1 1 17 17 HIS CB C 17 28.400 28.400 31.687 -3.287 18222 8585 1 20 . 1 1 17 17 HIS H H 17 8.130 8.130 8.437 -0.307 18222 8586 1 20 . 1 1 18 18 PRO CA C 18 63.800 63.800 63.381 0.419 18222 8587 1 20 . 1 1 18 18 PRO CB C 18 30.800 30.800 32.743 -1.943 18222 8588 1 20 . 1 1 19 19 GLY N N 19 110.260 110.260 110.449 -0.189 18222 8589 1 20 . 1 1 19 19 GLY CA C 19 45.490 45.490 46.125 -0.635 18222 8590 1 20 . 1 1 19 19 GLY H H 19 8.730 8.730 8.320 0.410 18222 8591 1 20 . 1 1 20 20 LEU N N 20 122.650 122.650 123.578 -0.928 18222 8592 1 20 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.437 -0.347 18222 8593 1 20 . 1 1 20 20 LEU CA C 20 57.060 57.060 56.849 0.211 18222 8594 1 20 . 1 1 20 20 LEU H H 20 7.980 7.980 8.322 -0.342 18222 8595 1 20 . 1 1 21 21 GLY N N 21 107.000 107.000 107.014 -0.014 18222 8596 1 20 . 1 1 21 21 GLY CA C 21 46.710 46.710 47.390 -0.680 18222 8597 1 20 . 1 1 21 21 GLY H H 21 8.570 8.570 8.717 -0.147 18222 8598 1 20 . 1 1 22 22 GLU N N 22 121.610 121.610 121.366 0.244 18222 8599 1 20 . 1 1 22 22 GLU HA H 22 3.990 3.990 4.085 -0.095 18222 8600 1 20 . 1 1 22 22 GLU CA C 22 58.280 58.280 59.291 -1.011 18222 8601 1 20 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.530 -1.520 18222 8602 1 20 . 1 1 22 22 GLU H H 22 8.100 8.100 8.335 -0.235 18222 8603 1 20 . 1 1 23 23 TYR N N 23 120.870 120.870 121.194 -0.324 18222 8604 1 20 . 1 1 23 23 TYR CA C 23 60.380 60.380 60.571 -0.191 18222 8605 1 20 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.292 -0.542 18222 8606 1 20 . 1 1 23 23 TYR H H 23 7.910 7.910 7.614 0.296 18222 8607 1 20 . 1 1 24 24 ALA N N 24 121.420 121.420 121.733 -0.313 18222 8608 1 20 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.774 0.366 18222 8609 1 20 . 1 1 24 24 ALA CA C 24 54.260 54.260 54.984 -0.725 18222 8610 1 20 . 1 1 24 24 ALA H H 24 8.410 8.410 8.778 -0.368 18222 8611 1 20 . 1 1 25 25 ALA N N 25 120.220 120.220 121.163 -0.943 18222 8612 1 20 . 1 1 25 25 ALA CA C 25 54.370 54.370 55.141 -0.771 18222 8613 1 20 . 1 1 25 25 ALA H H 25 8.090 8.090 8.515 -0.425 18222 8614 1 20 . 1 1 26 26 CYS N N 26 116.760 116.760 117.757 -0.997 18222 8615 1 20 . 1 1 26 26 CYS CA C 26 61.180 61.180 61.553 -0.373 18222 8616 1 20 . 1 1 26 26 CYS CB C 26 26.390 26.390 26.936 -0.546 18222 8617 1 20 . 1 1 26 26 CYS H H 26 7.950 7.950 8.203 -0.253 18222 8618 1 20 . 1 1 27 27 GLN N N 27 118.690 118.690 121.409 -2.719 18222 8619 1 20 . 1 1 27 27 GLN CA C 27 55.970 55.970 59.730 -3.760 18222 8620 1 20 . 1 1 27 27 GLN H H 27 8.060 8.060 8.035 0.025 18222 8621 1 20 . 1 1 28 28 SER N N 28 115.490 115.490 115.008 0.482 18222 8622 1 20 . 1 1 28 28 SER HA H 28 3.990 3.990 4.025 -0.035 18222 8623 1 20 . 1 1 28 28 SER CA C 28 61.110 61.110 61.694 -0.584 18222 8624 1 20 . 1 1 28 28 SER H H 28 7.980 7.980 8.157 -0.177 18222 8625 1 20 . 1 1 29 29 HIS N N 29 120.880 120.880 121.057 -0.177 18222 8626 1 20 . 1 1 29 29 HIS CA C 29 58.190 58.190 59.614 -1.424 18222 8627 1 20 . 1 1 29 29 HIS CB C 29 27.460 27.460 30.069 -2.609 18222 8628 1 20 . 1 1 29 29 HIS H H 29 8.180 8.180 8.299 -0.119 18222 8629 1 20 . 1 1 30 30 ALA N N 30 122.920 122.920 122.839 0.081 18222 8630 1 20 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.406 -0.845 18222 8631 1 20 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.252 -0.762 18222 8632 1 20 . 1 1 30 30 ALA H H 30 8.040 8.040 8.127 -0.087 18222 8633 1 20 . 1 1 31 31 PHE N N 31 119.340 119.340 119.492 -0.152 18222 8634 1 20 . 1 1 31 31 PHE CA C 31 60.370 60.370 62.364 -1.994 18222 8635 1 20 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.278 -0.758 18222 8636 1 20 . 1 1 31 31 PHE H H 31 8.230 8.230 8.333 -0.103 18222 8637 1 20 . 1 1 32 32 MET N N 32 118.110 118.110 118.670 -0.560 18222 8638 1 20 . 1 1 32 32 MET HA H 32 4.050 4.050 4.098 -0.048 18222 8639 1 20 . 1 1 32 32 MET CA C 32 58.280 58.280 58.827 -0.547 18222 8640 1 20 . 1 1 32 32 MET CB C 32 31.090 31.090 32.139 -1.049 18222 8641 1 20 . 1 1 32 32 MET H H 32 8.120 8.120 8.415 -0.295 18222 8642 1 20 . 1 1 33 33 LYS N N 33 119.040 119.040 119.201 -0.161 18222 8643 1 20 . 1 1 33 33 LYS HA H 33 3.930 3.930 4.024 -0.094 18222 8644 1 20 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.705 -0.665 18222 8645 1 20 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.376 -1.386 18222 8646 1 20 . 1 1 33 33 LYS H H 33 7.970 7.970 8.680 -0.710 18222 8647 1 20 . 1 1 34 34 GLY N N 34 108.840 108.840 108.213 0.627 18222 8648 1 20 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.213 -0.603 18222 8649 1 20 . 1 1 34 34 GLY H H 34 8.030 8.030 8.316 -0.286 18222 8650 1 20 . 1 1 35 35 VAL N N 35 122.910 122.910 121.978 0.932 18222 8651 1 20 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.701 0.519 18222 8652 1 20 . 1 1 35 35 VAL CA C 35 66.310 66.310 64.999 1.311 18222 8653 1 20 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.690 -1.130 18222 8654 1 20 . 1 1 35 35 VAL H H 35 8.090 8.090 7.971 0.119 18222 8655 1 20 . 1 1 36 36 PHE N N 36 120.020 120.020 119.979 0.041 18222 8656 1 20 . 1 1 36 36 PHE CA C 36 61.350 61.350 62.941 -1.591 18222 8657 1 20 . 1 1 36 36 PHE CB C 36 38.090 38.090 38.976 -0.886 18222 8658 1 20 . 1 1 36 36 PHE H H 36 8.350 8.350 8.408 -0.058 18222 8659 1 20 . 1 1 37 37 THR N N 37 116.980 116.980 115.024 1.956 18222 8660 1 20 . 1 1 37 37 THR HA H 37 4.050 4.050 4.033 0.017 18222 8661 1 20 . 1 1 37 37 THR CA C 37 66.000 66.000 67.038 -1.038 18222 8662 1 20 . 1 1 37 37 THR CB C 37 68.270 68.270 68.782 -0.512 18222 8663 1 20 . 1 1 37 37 THR H H 37 8.520 8.520 8.563 -0.043 18222 8664 1 20 . 1 1 38 38 PHE N N 38 123.090 123.090 118.988 4.102 18222 8665 1 20 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.269 0.091 18222 8666 1 20 . 1 1 38 38 PHE CA C 38 61.140 61.140 60.970 0.170 18222 8667 1 20 . 1 1 38 38 PHE CB C 38 41.200 41.200 39.577 1.623 18222 8668 1 20 . 1 1 38 38 PHE H H 38 8.010 8.010 7.991 0.019 18222 8669 1 20 . 1 1 39 39 VAL N N 39 117.280 117.280 117.591 -0.311 18222 8670 1 20 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.767 0.443 18222 8671 1 20 . 1 1 39 39 VAL CA C 39 66.000 66.000 65.006 0.994 18222 8672 1 20 . 1 1 39 39 VAL CB C 39 30.860 30.860 31.031 -0.171 18222 8673 1 20 . 1 1 39 39 VAL H H 39 8.530 8.530 8.137 0.393 18222 8674 1 20 . 1 1 40 40 THR N N 40 109.470 109.470 115.170 -5.700 18222 8675 1 20 . 1 1 40 40 THR HA H 40 4.060 4.060 4.260 -0.200 18222 8676 1 20 . 1 1 40 40 THR CA C 40 63.390 63.390 64.990 -1.599 18222 8677 1 20 . 1 1 40 40 THR CB C 40 68.650 68.650 68.255 0.395 18222 8678 1 20 . 1 1 40 40 THR H H 40 7.700 7.700 8.032 -0.332 18222 8679 1 20 . 1 1 41 41 GLY N N 41 110.770 110.770 109.156 1.614 18222 8680 1 20 . 1 1 41 41 GLY CA C 41 45.580 45.580 45.858 -0.278 18222 8681 1 20 . 1 1 41 41 GLY H H 41 7.700 7.700 7.322 0.378 18222 8682 1 20 . 1 1 42 42 THR N N 42 114.520 114.520 117.756 -3.236 18222 8683 1 20 . 1 1 42 42 THR CA C 42 63.300 63.300 61.861 1.440 18222 8684 1 20 . 1 1 42 42 THR CB C 42 69.490 69.490 67.531 1.959 18222 8685 1 20 . 1 1 42 42 THR H H 42 7.720 7.720 7.400 0.320 18222 8686 1 20 . 1 1 43 43 GLY N N 43 109.540 109.540 109.857 -0.317 18222 8687 1 20 . 1 1 43 43 GLY CA C 43 46.250 46.250 46.301 -0.051 18222 8688 1 20 . 1 1 43 43 GLY H H 43 8.110 8.110 7.624 0.486 18222 8689 1 20 . 1 1 44 44 MET N N 44 120.240 120.240 121.365 -1.125 18222 8690 1 20 . 1 1 44 44 MET HA H 44 4.100 4.100 3.947 0.153 18222 8691 1 20 . 1 1 44 44 MET CA C 44 57.700 57.700 59.230 -1.530 18222 8692 1 20 . 1 1 44 44 MET CB C 44 32.030 32.030 32.443 -0.413 18222 8693 1 20 . 1 1 44 44 MET H H 44 7.730 7.730 8.035 -0.305 18222 8694 1 20 . 1 1 45 45 ALA N N 45 121.560 121.560 120.956 0.604 18222 8695 1 20 . 1 1 45 45 ALA CA C 45 54.440 54.440 55.062 -0.622 18222 8696 1 20 . 1 1 45 45 ALA CB C 45 17.400 17.400 17.800 -0.400 18222 8697 1 20 . 1 1 45 45 ALA H H 45 7.950 7.950 7.839 0.111 18222 8698 1 20 . 1 1 46 46 PHE N N 46 118.260 118.260 118.660 -0.400 18222 8699 1 20 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.364 -0.434 18222 8700 1 20 . 1 1 46 46 PHE CA C 46 59.820 59.820 60.536 -0.716 18222 8701 1 20 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.463 -0.203 18222 8702 1 20 . 1 1 46 46 PHE H H 46 7.860 7.860 8.294 -0.434 18222 8703 1 20 . 1 1 47 47 GLY N N 47 107.300 107.300 108.982 -1.682 18222 8704 1 20 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.312 -0.752 18222 8705 1 20 . 1 1 47 47 GLY H H 47 8.200 8.200 8.698 -0.498 18222 8706 1 20 . 1 1 48 48 LEU N N 48 121.920 121.920 122.935 -1.015 18222 8707 1 20 . 1 1 48 48 LEU HA H 48 4.040 4.040 3.812 0.229 18222 8708 1 20 . 1 1 48 48 LEU CA C 48 57.580 57.580 58.556 -0.976 18222 8709 1 20 . 1 1 48 48 LEU CB C 48 40.790 40.790 41.831 -1.041 18222 8710 1 20 . 1 1 48 48 LEU H H 48 8.180 8.180 8.196 -0.016 18222 8711 1 20 . 1 1 49 49 GLN N N 49 118.270 118.270 118.605 -0.335 18222 8712 1 20 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.852 -0.022 18222 8713 1 20 . 1 1 49 49 GLN CA C 49 58.880 58.880 59.142 -0.262 18222 8714 1 20 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.681 -1.441 18222 8715 1 20 . 1 1 49 49 GLN H H 49 8.080 8.080 8.032 0.048 18222 8716 1 20 . 1 1 50 50 MET N N 50 117.630 117.630 119.369 -1.739 18222 8717 1 20 . 1 1 50 50 MET HA H 50 4.010 4.010 4.178 -0.168 18222 8718 1 20 . 1 1 50 50 MET CA C 50 57.730 57.730 58.070 -0.340 18222 8719 1 20 . 1 1 50 50 MET CB C 50 27.160 27.160 32.377 -5.217 18222 8720 1 20 . 1 1 50 50 MET H H 50 7.880 7.880 8.412 -0.531 18222 8721 1 20 . 1 1 51 51 PHE N N 51 119.550 119.550 118.329 1.221 18222 8722 1 20 . 1 1 51 51 PHE CA C 51 60.850 60.850 62.232 -1.382 18222 8723 1 20 . 1 1 51 51 PHE CB C 51 38.720 38.720 38.688 0.032 18222 8724 1 20 . 1 1 51 51 PHE H H 51 7.890 7.890 8.151 -0.261 18222 8725 1 20 . 1 1 52 52 ILE N N 52 117.950 117.950 116.514 1.436 18222 8726 1 20 . 1 1 52 52 ILE HA H 52 4.050 4.050 3.793 0.257 18222 8727 1 20 . 1 1 52 52 ILE CA C 52 63.560 63.560 64.157 -0.598 18222 8728 1 20 . 1 1 52 52 ILE CB C 52 36.810 36.810 38.074 -1.264 18222 8729 1 20 . 1 1 52 52 ILE H H 52 8.110 8.110 7.956 0.154 18222 8730 1 20 . 1 1 53 53 GLN N N 53 117.360 117.360 119.274 -1.914 18222 8731 1 20 . 1 1 53 53 GLN CA C 53 57.200 57.200 58.695 -1.495 18222 8732 1 20 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.436 -0.566 18222 8733 1 20 . 1 1 53 53 GLN H H 53 7.930 7.930 8.153 -0.223 18222 8734 1 20 . 1 1 54 54 ARG N N 54 116.840 116.840 118.695 -1.855 18222 8735 1 20 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.228 -0.278 18222 8736 1 20 . 1 1 54 54 ARG CA C 54 56.480 56.480 57.737 -1.258 18222 8737 1 20 . 1 1 54 54 ARG CB C 54 28.970 28.970 29.910 -0.940 18222 8738 1 20 . 1 1 54 54 ARG H H 54 7.540 7.540 7.792 -0.252 18222 8739 1 20 . 1 1 55 55 LYS N N 55 117.900 117.900 117.257 0.643 18222 8740 1 20 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.268 -0.188 18222 8741 1 20 . 1 1 55 55 LYS CA C 55 55.030 55.030 57.371 -2.341 18222 8742 1 20 . 1 1 55 55 LYS CB C 55 32.010 32.010 32.752 -0.742 18222 8743 1 20 . 1 1 55 55 LYS H H 55 7.660 7.660 7.356 0.304 18222 8744 1 20 . 1 1 56 56 PHE N N 56 121.060 121.060 121.507 -0.447 18222 8745 1 20 . 1 1 56 56 PHE CA C 56 55.190 55.190 54.819 0.371 18222 8746 1 20 . 1 1 56 56 PHE CB C 56 38.970 38.970 39.915 -0.945 18222 8747 1 20 . 1 1 56 56 PHE H H 56 8.080 8.080 7.878 0.202 18222 8748 1 20 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.260 -0.870 18222 8749 1 20 . 1 1 57 57 PRO CB C 57 30.580 30.580 30.116 0.463 18222 8750 1 20 . 1 1 58 58 TYR N N 58 120.240 120.240 124.798 -4.558 18222 8751 1 20 . 1 1 58 58 TYR CA C 58 55.770 55.770 55.283 0.486 18222 8752 1 20 . 1 1 58 58 TYR CB C 58 40.220 40.220 41.211 -0.990 18222 8753 1 20 . 1 1 58 58 TYR H H 58 7.700 7.700 7.946 -0.246 18222 8754 1 20 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.758 -1.628 18222 8755 1 20 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.085 1.255 18222 8756 1 20 . 1 1 60 60 LEU N N 60 122.210 122.210 121.589 0.621 18222 8757 1 20 . 1 1 60 60 LEU CA C 60 54.250 54.250 54.527 -0.277 18222 8758 1 20 . 1 1 60 60 LEU CB C 60 41.470 41.470 42.722 -1.252 18222 8759 1 20 . 1 1 60 60 LEU H H 60 7.880 7.880 7.866 0.014 18222 8760 1 20 . 1 1 61 61 GLN N N 61 122.470 122.470 121.375 1.095 18222 8761 1 20 . 1 1 61 61 GLN CA C 61 54.170 54.170 55.344 -1.174 18222 8762 1 20 . 1 1 61 61 GLN H H 61 7.970 7.970 8.289 -0.319 18222 8763 1 20 . 1 1 62 62 TRP N N 62 124.590 124.590 122.998 1.592 18222 8764 1 20 . 1 1 62 62 TRP CA C 62 59.830 59.830 59.431 0.399 18222 8765 1 20 . 1 1 62 62 TRP CB C 62 28.800 28.800 29.142 -0.342 18222 8766 1 20 . 1 1 62 62 TRP H H 62 8.240 8.240 8.764 -0.524 18222 8767 1 20 . 1 1 63 63 SER N N 63 113.320 113.320 115.631 -2.311 18222 8768 1 20 . 1 1 63 63 SER CA C 63 61.100 61.100 60.006 1.094 18222 8769 1 20 . 1 1 63 63 SER H H 63 8.410 8.410 7.379 1.031 18222 8770 1 20 . 1 1 64 64 LEU N N 64 123.230 123.230 121.842 1.388 18222 8771 1 20 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.180 -0.300 18222 8772 1 20 . 1 1 64 64 LEU CB C 64 40.830 40.830 40.978 -0.148 18222 8773 1 20 . 1 1 64 64 LEU H H 64 7.230 7.230 7.964 -0.734 18222 8774 1 20 . 1 1 65 65 LEU N N 65 119.400 119.400 121.110 -1.710 18222 8775 1 20 . 1 1 65 65 LEU HA H 65 3.890 3.890 4.107 -0.217 18222 8776 1 20 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.572 -0.992 18222 8777 1 20 . 1 1 65 65 LEU CB C 65 40.710 40.710 42.144 -1.434 18222 8778 1 20 . 1 1 65 65 LEU H H 65 7.510 7.510 8.395 -0.885 18222 8779 1 20 . 1 1 66 66 VAL N N 66 116.950 116.950 118.569 -1.619 18222 8780 1 20 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.796 0.164 18222 8781 1 20 . 1 1 66 66 VAL CA C 66 66.260 66.260 65.571 0.689 18222 8782 1 20 . 1 1 66 66 VAL CB C 66 30.570 30.570 31.853 -1.283 18222 8783 1 20 . 1 1 66 66 VAL H H 66 7.950 7.950 8.573 -0.623 18222 8784 1 20 . 1 1 67 67 ALA N N 67 120.650 120.650 122.443 -1.793 18222 8785 1 20 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.096 -0.096 18222 8786 1 20 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.309 -0.529 18222 8787 1 20 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.254 -0.814 18222 8788 1 20 . 1 1 67 67 ALA H H 67 7.450 7.450 8.209 -0.759 18222 8789 1 20 . 1 1 68 68 VAL N N 68 118.440 118.440 119.038 -0.598 18222 8790 1 20 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.721 0.029 18222 8791 1 20 . 1 1 68 68 VAL CA C 68 65.250 65.250 65.805 -0.555 18222 8792 1 20 . 1 1 68 68 VAL CB C 68 30.850 30.850 31.724 -0.874 18222 8793 1 20 . 1 1 68 68 VAL H H 68 7.960 7.960 7.773 0.187 18222 8794 1 20 . 1 1 69 69 VAL N N 69 120.800 120.800 120.793 0.007 18222 8795 1 20 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.641 0.579 18222 8796 1 20 . 1 1 69 69 VAL CA C 69 66.020 66.020 67.796 -1.776 18222 8797 1 20 . 1 1 69 69 VAL CB C 69 30.850 30.850 31.375 -0.525 18222 8798 1 20 . 1 1 69 69 VAL H H 69 8.080 8.080 8.565 -0.485 18222 8799 1 20 . 1 1 70 70 ALA N N 70 121.740 121.740 120.726 1.014 18222 8800 1 20 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.215 -0.295 18222 8801 1 20 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.310 -0.390 18222 8802 1 20 . 1 1 70 70 ALA CB C 70 17.620 17.620 17.868 -0.248 18222 8803 1 20 . 1 1 70 70 ALA H H 70 8.660 8.660 8.543 0.117 18222 8804 1 20 . 1 1 71 71 GLY N N 71 103.450 103.450 107.718 -4.268 18222 8805 1 20 . 1 1 71 71 GLY CA C 71 46.300 46.300 47.084 -0.784 18222 8806 1 20 . 1 1 71 71 GLY H H 71 8.010 8.010 7.987 0.023 18222 8807 1 20 . 1 1 72 72 SER N N 72 118.160 118.160 118.303 -0.143 18222 8808 1 20 . 1 1 72 72 SER CA C 72 61.260 61.260 62.281 -1.021 18222 8809 1 20 . 1 1 72 72 SER CB C 72 62.870 62.870 63.336 -0.466 18222 8810 1 20 . 1 1 72 72 SER H H 72 7.870 7.870 8.288 -0.418 18222 8811 1 20 . 1 1 73 73 VAL N N 73 121.340 121.340 122.409 -1.069 18222 8812 1 20 . 1 1 73 73 VAL CA C 73 65.750 65.750 66.516 -0.766 18222 8813 1 20 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.450 -0.709 18222 8814 1 20 . 1 1 73 73 VAL H H 73 8.050 8.050 8.441 -0.391 18222 8815 1 20 . 1 1 74 74 VAL N N 74 118.680 118.680 118.902 -0.222 18222 8816 1 20 . 1 1 74 74 VAL CA C 74 65.770 65.770 67.142 -1.372 18222 8817 1 20 . 1 1 74 74 VAL CB C 74 30.740 30.740 31.648 -0.908 18222 8818 1 20 . 1 1 74 74 VAL H H 74 7.880 7.880 8.762 -0.882 18222 8819 1 20 . 1 1 75 75 SER N N 75 114.750 114.750 116.643 -1.893 18222 8820 1 20 . 1 1 75 75 SER HA H 75 4.100 4.100 4.176 -0.076 18222 8821 1 20 . 1 1 75 75 SER CA C 75 60.870 60.870 61.568 -0.698 18222 8822 1 20 . 1 1 75 75 SER CB C 75 62.340 62.340 63.029 -0.689 18222 8823 1 20 . 1 1 75 75 SER H H 75 7.870 7.870 8.121 -0.251 18222 8824 1 20 . 1 1 76 76 TYR N N 76 121.110 121.110 122.643 -1.533 18222 8825 1 20 . 1 1 76 76 TYR CA C 76 60.050 60.050 60.768 -0.718 18222 8826 1 20 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.608 -0.628 18222 8827 1 20 . 1 1 76 76 TYR H H 76 7.860 7.860 8.764 -0.904 18222 8828 1 20 . 1 1 77 77 GLY N N 77 107.300 107.300 106.975 0.325 18222 8829 1 20 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.453 -0.893 18222 8830 1 20 . 1 1 77 77 GLY H H 77 8.200 8.200 8.878 -0.678 18222 8831 1 20 . 1 1 78 78 VAL N N 78 119.470 119.470 121.618 -2.148 18222 8832 1 20 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.889 0.281 18222 8833 1 20 . 1 1 78 78 VAL CA C 78 64.650 64.650 64.915 -0.264 18222 8834 1 20 . 1 1 78 78 VAL H H 78 8.140 8.140 8.751 -0.611 18222 8835 1 20 . 1 1 79 79 THR N N 79 112.100 112.100 116.968 -4.868 18222 8836 1 20 . 1 1 79 79 THR CA C 79 63.460 63.460 66.514 -3.054 18222 8837 1 20 . 1 1 79 79 THR CB C 79 68.650 68.650 68.384 0.266 18222 8838 1 20 . 1 1 79 79 THR H H 79 7.640 7.640 7.955 -0.315 18222 8839 1 20 . 1 1 80 80 ARG N N 80 120.770 120.770 122.118 -1.348 18222 8840 1 20 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.119 0.041 18222 8841 1 20 . 1 1 80 80 ARG CA C 80 56.790 56.790 59.785 -2.995 18222 8842 1 20 . 1 1 80 80 ARG CB C 80 29.430 29.430 30.451 -1.021 18222 8843 1 20 . 1 1 80 80 ARG H H 80 7.680 7.680 8.291 -0.611 18222 8844 1 20 . 1 1 81 81 VAL N N 81 118.370 118.370 119.177 -0.807 18222 8845 1 20 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.708 0.212 18222 8846 1 20 . 1 1 81 81 VAL CA C 81 63.340 63.340 67.055 -3.715 18222 8847 1 20 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.758 -0.497 18222 8848 1 20 . 1 1 81 81 VAL H H 81 7.730 7.730 8.404 -0.674 18222 8849 1 20 . 1 1 82 82 GLU N N 82 120.620 120.620 119.011 1.609 18222 8850 1 20 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.149 -2.829 18222 8851 1 20 . 1 1 82 82 GLU CB C 82 27.930 27.930 28.573 -0.643 18222 8852 1 20 . 1 1 82 82 GLU H H 82 7.920 7.920 8.616 -0.696 18222 8853 1 20 . 1 1 83 83 SER N N 83 116.240 116.240 116.364 -0.124 18222 8854 1 20 . 1 1 83 83 SER CA C 83 59.250 59.250 61.377 -2.127 18222 8855 1 20 . 1 1 83 83 SER CB C 83 63.160 63.160 62.967 0.193 18222 8856 1 20 . 1 1 83 83 SER H H 83 7.960 7.960 7.905 0.055 18222 8857 1 20 . 1 1 84 84 GLU N N 84 123.280 123.280 121.976 1.304 18222 8858 1 20 . 1 1 84 84 GLU HA H 84 4.080 4.080 4.128 -0.048 18222 8859 1 20 . 1 1 84 84 GLU CA C 84 57.860 57.860 59.647 -1.787 18222 8860 1 20 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.740 -1.550 18222 8861 1 20 . 1 1 84 84 GLU H H 84 8.470 8.470 8.085 0.385 18222 8862 1 20 . 1 1 85 85 LYS N N 85 118.650 118.650 119.292 -0.642 18222 8863 1 20 . 1 1 85 85 LYS HA H 85 4.100 4.100 3.997 0.103 18222 8864 1 20 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.470 -1.690 18222 8865 1 20 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.146 -0.766 18222 8866 1 20 . 1 1 85 85 LYS H H 85 7.940 7.940 8.221 -0.281 18222 8867 1 20 . 1 1 86 86 CYS N N 86 117.070 117.070 118.352 -1.282 18222 8868 1 20 . 1 1 86 86 CYS CA C 86 60.910 60.910 62.486 -1.576 18222 8869 1 20 . 1 1 86 86 CYS CB C 86 26.740 26.740 27.635 -0.895 18222 8870 1 20 . 1 1 86 86 CYS H H 86 7.840 7.840 8.233 -0.393 18222 8871 1 20 . 1 1 87 87 ASN N N 87 119.370 119.370 119.067 0.303 18222 8872 1 20 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.627 -0.497 18222 8873 1 20 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.663 -0.913 18222 8874 1 20 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.214 -0.164 18222 8875 1 20 . 1 1 87 87 ASN H H 87 8.110 8.110 8.152 -0.042 18222 8876 1 20 . 1 1 88 88 ASN N N 88 117.570 117.570 119.129 -1.559 18222 8877 1 20 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.679 -0.399 18222 8878 1 20 . 1 1 88 88 ASN CA C 88 55.190 55.190 55.944 -0.754 18222 8879 1 20 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.239 -0.839 18222 8880 1 20 . 1 1 88 88 ASN H H 88 8.280 8.280 8.338 -0.058 18222 8881 1 20 . 1 1 89 89 LEU N N 89 121.940 121.940 122.443 -0.503 18222 8882 1 20 . 1 1 89 89 LEU HA H 89 4.070 4.070 3.979 0.091 18222 8883 1 20 . 1 1 89 89 LEU CA C 89 57.580 57.580 58.931 -1.351 18222 8884 1 20 . 1 1 89 89 LEU CB C 89 40.490 40.490 41.237 -0.747 18222 8885 1 20 . 1 1 89 89 LEU H H 89 7.790 7.790 8.434 -0.644 18222 8886 1 20 . 1 1 90 90 TRP N N 90 119.220 119.220 120.081 -0.861 18222 8887 1 20 . 1 1 90 90 TRP CA C 90 59.120 59.120 60.928 -1.808 18222 8888 1 20 . 1 1 90 90 TRP CB C 90 28.800 28.800 28.916 -0.116 18222 8889 1 20 . 1 1 90 90 TRP H H 90 7.850 7.850 8.734 -0.884 18222 8890 1 20 . 1 1 91 91 LEU N N 91 117.870 117.870 120.677 -2.807 18222 8891 1 20 . 1 1 91 91 LEU CA C 91 57.300 57.300 59.063 -1.763 18222 8892 1 20 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.869 -1.259 18222 8893 1 20 . 1 1 91 91 LEU H H 91 7.920 7.920 8.253 -0.333 18222 8894 1 20 . 1 1 92 92 PHE N N 92 121.280 121.280 117.493 3.787 18222 8895 1 20 . 1 1 92 92 PHE CA C 92 60.390 60.390 61.768 -1.378 18222 8896 1 20 . 1 1 92 92 PHE CB C 92 37.980 37.980 39.002 -1.022 18222 8897 1 20 . 1 1 92 92 PHE H H 92 7.860 7.860 8.547 -0.687 18222 8898 1 20 . 1 1 93 93 LEU N N 93 119.860 119.860 121.030 -1.170 18222 8899 1 20 . 1 1 93 93 LEU CA C 93 56.860 56.860 58.070 -1.210 18222 8900 1 20 . 1 1 93 93 LEU CB C 93 40.550 40.550 42.196 -1.646 18222 8901 1 20 . 1 1 93 93 LEU H H 93 7.980 7.980 8.610 -0.630 18222 8902 1 20 . 1 1 94 94 GLU N N 94 114.660 114.660 116.340 -1.680 18222 8903 1 20 . 1 1 94 94 GLU HA H 94 3.810 3.810 4.239 -0.429 18222 8904 1 20 . 1 1 94 94 GLU CA C 94 57.210 57.210 59.085 -1.875 18222 8905 1 20 . 1 1 94 94 GLU CB C 94 28.470 28.470 30.061 -1.591 18222 8906 1 20 . 1 1 94 94 GLU H H 94 7.890 7.890 8.244 -0.354 18222 8907 1 20 . 1 1 95 95 THR N N 95 108.260 108.260 109.570 -1.310 18222 8908 1 20 . 1 1 95 95 THR CA C 95 62.150 62.150 62.044 0.106 18222 8909 1 20 . 1 1 95 95 THR CB C 95 70.810 70.810 70.486 0.324 18222 8910 1 20 . 1 1 95 95 THR H H 95 7.690 7.690 7.661 0.029 18222 8911 1 20 . 1 1 96 96 GLY N N 96 112.220 112.220 111.108 1.112 18222 8912 1 20 . 1 1 96 96 GLY CA C 96 45.410 45.410 45.207 0.203 18222 8913 1 20 . 1 1 96 96 GLY H H 96 8.240 8.240 8.178 0.062 18222 8914 1 20 . 1 1 97 97 GLN N N 97 117.950 117.950 119.423 -1.473 18222 8915 1 20 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.300 -0.100 18222 8916 1 20 . 1 1 97 97 GLN CA C 97 54.430 54.430 56.120 -1.690 18222 8917 1 20 . 1 1 97 97 GLN CB C 97 29.910 29.910 29.892 0.018 18222 8918 1 20 . 1 1 97 97 GLN H H 97 7.640 7.640 7.874 -0.234 18222 8919 1 20 . 1 1 98 98 LEU N N 98 123.810 123.810 125.972 -2.162 18222 8920 1 20 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.451 -0.091 18222 8921 1 20 . 1 1 98 98 LEU CA C 98 52.650 52.650 54.048 -1.398 18222 8922 1 20 . 1 1 98 98 LEU CB C 98 40.460 40.460 41.974 -1.514 18222 8923 1 20 . 1 1 98 98 LEU H H 98 8.270 8.270 8.496 -0.226 18222 8924 1 20 . 1 1 99 99 PRO CA C 99 63.180 63.180 61.964 1.216 18222 8925 1 20 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.311 -1.471 18222 8926 1 20 . 1 1 100 100 LYS N N 100 120.630 120.630 120.937 -0.307 18222 8927 1 20 . 1 1 100 100 LYS CA C 100 55.730 55.730 57.232 -1.502 18222 8928 1 20 . 1 1 100 100 LYS CB C 100 32.280 32.280 32.532 -0.252 18222 8929 1 20 . 1 1 100 100 LYS H H 100 8.090 8.090 8.107 -0.017 18222 8930 1 20 . 1 1 101 101 ASP N N 101 120.920 120.920 120.288 0.632 18222 8931 1 20 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.276 -0.086 18222 8932 1 20 . 1 1 101 101 ASP CA C 101 54.000 54.000 54.752 -0.752 18222 8933 1 20 . 1 1 101 101 ASP CB C 101 40.330 40.330 41.175 -0.845 18222 8934 1 20 . 1 1 101 101 ASP H H 101 8.190 8.190 8.276 -0.086 18222 8935 1 20 . 1 1 102 102 ARG N N 102 122.210 122.210 119.442 2.768 18222 8936 1 20 . 1 1 102 102 ARG CA C 102 55.590 55.590 55.343 0.247 18222 8937 1 20 . 1 1 102 102 ARG CB C 102 29.630 29.630 32.223 -2.593 18222 8938 1 20 . 1 1 102 102 ARG H H 102 8.130 8.130 8.430 -0.300 18222 8939 1 20 . 1 1 103 103 SER N N 103 117.230 117.230 115.120 2.110 18222 8940 1 20 . 1 1 103 103 SER HA H 103 4.280 4.280 4.280 0.000 18222 8941 1 20 . 1 1 103 103 SER CA C 103 58.470 58.470 59.133 -0.663 18222 8942 1 20 . 1 1 103 103 SER CB C 103 63.080 63.080 63.546 -0.466 18222 8943 1 20 . 1 1 103 103 SER H H 103 8.290 8.290 8.506 -0.216 18222 8944 1 20 . 1 1 104 104 THR N N 104 115.430 115.430 115.410 0.020 18222 8945 1 20 . 1 1 104 104 THR CA C 104 61.570 61.570 63.273 -1.703 18222 8946 1 20 . 1 1 104 104 THR CB C 104 69.030 69.030 69.124 -0.094 18222 8947 1 20 . 1 1 104 104 THR H H 104 8.020 8.020 8.121 -0.101 18222 8948 1 20 . 1 1 105 105 ASP N N 105 122.780 122.780 124.747 -1.967 18222 8949 1 20 . 1 1 105 105 ASP CA C 105 54.210 54.210 54.021 0.189 18222 8950 1 20 . 1 1 105 105 ASP CB C 105 40.380 40.380 41.810 -1.430 18222 8951 1 20 . 1 1 105 105 ASP H H 105 8.120 8.120 8.264 -0.144 18222 8952 1 20 . 1 1 106 106 GLN N N 106 120.960 120.960 122.763 -1.803 18222 8953 1 20 . 1 1 106 106 GLN CA C 106 55.420 55.420 55.831 -0.411 18222 8954 1 20 . 1 1 106 106 GLN CB C 106 28.310 28.310 29.727 -1.417 18222 8955 1 20 . 1 1 106 106 GLN H H 106 8.140 8.140 8.537 -0.397 18222 8956 1 20 . 1 1 107 107 ARG N N 107 123.010 123.010 120.946 2.064 18222 8957 1 20 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.499 -0.289 18222 8958 1 20 . 1 1 107 107 ARG CA C 107 55.560 55.560 55.944 -0.384 18222 8959 1 20 . 1 1 107 107 ARG CB C 107 29.920 29.920 32.233 -2.313 18222 8960 1 20 . 1 1 107 107 ARG H H 107 8.180 8.180 8.455 -0.275 18222 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 102 1.882 0.489 1.826 18222 2 1 1 "Average Difference" HA 70 0.297 0.011 0.299 18222 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18222 4 1 1 "Average Difference" CA 106 1.404 0.983 1.007 18222 5 1 1 "Average Difference" CB 88 1.440 0.781 1.217 18222 6 1 1 "Average Difference" HN 102 0.367 0.181 0.320 18222 7 1 2 "Average Difference" N 102 1.821 0.523 1.753 18222 8 1 2 "Average Difference" HA 70 0.250 0.009 0.252 18222 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18222 10 1 2 "Average Difference" CA 106 1.277 0.872 0.937 18222 11 1 2 "Average Difference" CB 88 1.448 0.725 1.260 18222 12 1 2 "Average Difference" HN 102 0.371 0.163 0.335 18222 13 1 3 "Average Difference" N 102 1.737 0.542 1.658 18222 14 1 3 "Average Difference" HA 70 0.282 0.005 0.284 18222 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18222 16 1 3 "Average Difference" CA 106 1.398 0.934 1.044 18222 17 1 3 "Average Difference" CB 88 1.436 0.720 1.249 18222 18 1 3 "Average Difference" HN 102 0.400 0.222 0.334 18222 19 1 4 "Average Difference" N 102 1.880 0.345 1.858 18222 20 1 4 "Average Difference" HA 70 0.296 -0.012 0.298 18222 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18222 22 1 4 "Average Difference" CA 106 1.423 0.906 1.102 18222 23 1 4 "Average Difference" CB 88 1.480 0.793 1.257 18222 24 1 4 "Average Difference" HN 102 0.411 0.210 0.355 18222 25 1 5 "Average Difference" N 102 1.846 0.523 1.779 18222 26 1 5 "Average Difference" HA 70 0.299 0.028 0.300 18222 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18222 28 1 5 "Average Difference" CA 106 1.384 0.952 1.009 18222 29 1 5 "Average Difference" CB 88 1.440 0.686 1.274 18222 30 1 5 "Average Difference" HN 102 0.365 0.206 0.302 18222 31 1 6 "Average Difference" N 102 1.856 0.459 1.808 18222 32 1 6 "Average Difference" HA 70 0.312 0.015 0.314 18222 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18222 34 1 6 "Average Difference" CA 106 1.352 0.961 0.956 18222 35 1 6 "Average Difference" CB 88 1.446 0.660 1.294 18222 36 1 6 "Average Difference" HN 102 0.397 0.232 0.324 18222 37 1 7 "Average Difference" N 102 1.857 0.549 1.783 18222 38 1 7 "Average Difference" HA 70 0.279 -0.002 0.281 18222 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18222 40 1 7 "Average Difference" CA 106 1.370 0.918 1.021 18222 41 1 7 "Average Difference" CB 88 1.469 0.715 1.290 18222 42 1 7 "Average Difference" HN 102 0.396 0.233 0.322 18222 43 1 8 "Average Difference" N 102 2.004 0.429 1.967 18222 44 1 8 "Average Difference" HA 70 0.272 0.001 0.274 18222 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18222 46 1 8 "Average Difference" CA 106 1.293 0.845 0.983 18222 47 1 8 "Average Difference" CB 88 1.441 0.750 1.238 18222 48 1 8 "Average Difference" HN 102 0.387 0.162 0.353 18222 49 1 9 "Average Difference" N 102 1.881 0.582 1.797 18222 50 1 9 "Average Difference" HA 70 0.307 0.028 0.308 18222 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18222 52 1 9 "Average Difference" CA 106 1.351 0.922 0.992 18222 53 1 9 "Average Difference" CB 88 1.485 0.710 1.312 18222 54 1 9 "Average Difference" HN 102 0.404 0.237 0.328 18222 55 1 10 "Average Difference" N 102 2.021 0.485 1.972 18222 56 1 10 "Average Difference" HA 70 0.298 0.001 0.300 18222 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18222 58 1 10 "Average Difference" CA 106 1.350 0.864 1.042 18222 59 1 10 "Average Difference" CB 88 1.422 0.703 1.243 18222 60 1 10 "Average Difference" HN 102 0.369 0.193 0.316 18222 61 1 11 "Average Difference" N 102 1.942 0.681 1.828 18222 62 1 11 "Average Difference" HA 70 0.258 0.012 0.260 18222 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18222 64 1 11 "Average Difference" CA 106 1.316 0.867 0.995 18222 65 1 11 "Average Difference" CB 88 1.434 0.702 1.258 18222 66 1 11 "Average Difference" HN 102 0.382 0.195 0.331 18222 67 1 12 "Average Difference" N 102 1.870 0.302 1.854 18222 68 1 12 "Average Difference" HA 70 0.271 0.017 0.272 18222 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18222 70 1 12 "Average Difference" CA 106 1.410 1.005 0.993 18222 71 1 12 "Average Difference" CB 88 1.466 0.728 1.280 18222 72 1 12 "Average Difference" HN 102 0.397 0.207 0.341 18222 73 1 13 "Average Difference" N 102 1.804 0.424 1.762 18222 74 1 13 "Average Difference" HA 70 0.271 0.021 0.272 18222 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18222 76 1 13 "Average Difference" CA 106 1.373 0.907 1.036 18222 77 1 13 "Average Difference" CB 88 1.515 0.741 1.329 18222 78 1 13 "Average Difference" HN 102 0.386 0.205 0.329 18222 79 1 14 "Average Difference" N 102 1.722 0.459 1.668 18222 80 1 14 "Average Difference" HA 70 0.294 0.035 0.294 18222 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18222 82 1 14 "Average Difference" CA 106 1.341 0.870 1.025 18222 83 1 14 "Average Difference" CB 88 1.474 0.707 1.300 18222 84 1 14 "Average Difference" HN 102 0.417 0.232 0.348 18222 85 1 15 "Average Difference" N 102 1.964 0.486 1.912 18222 86 1 15 "Average Difference" HA 70 0.321 0.051 0.320 18222 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18222 88 1 15 "Average Difference" CA 106 1.332 0.905 0.982 18222 89 1 15 "Average Difference" CB 88 1.464 0.808 1.228 18222 90 1 15 "Average Difference" HN 102 0.392 0.206 0.335 18222 91 1 16 "Average Difference" N 102 1.876 0.543 1.805 18222 92 1 16 "Average Difference" HA 70 0.337 -0.016 0.339 18222 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18222 94 1 16 "Average Difference" CA 106 1.267 0.836 0.957 18222 95 1 16 "Average Difference" CB 88 1.486 0.744 1.294 18222 96 1 16 "Average Difference" HN 102 0.416 0.221 0.354 18222 97 1 17 "Average Difference" N 102 1.880 0.663 1.768 18222 98 1 17 "Average Difference" HA 70 0.299 0.031 0.300 18222 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18222 100 1 17 "Average Difference" CA 106 1.304 0.877 0.969 18222 101 1 17 "Average Difference" CB 88 1.452 0.790 1.225 18222 102 1 17 "Average Difference" HN 102 0.395 0.251 0.307 18222 103 1 18 "Average Difference" N 102 1.730 0.601 1.630 18222 104 1 18 "Average Difference" HA 70 0.268 0.010 0.270 18222 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18222 106 1 18 "Average Difference" CA 106 1.428 0.934 1.086 18222 107 1 18 "Average Difference" CB 88 1.464 0.745 1.267 18222 108 1 18 "Average Difference" HN 102 0.409 0.225 0.343 18222 109 1 19 "Average Difference" N 102 1.660 0.499 1.592 18222 110 1 19 "Average Difference" HA 70 0.272 -0.007 0.274 18222 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18222 112 1 19 "Average Difference" CA 106 1.410 1.020 0.978 18222 113 1 19 "Average Difference" CB 88 1.464 0.791 1.239 18222 114 1 19 "Average Difference" HN 102 0.358 0.195 0.302 18222 115 1 20 "Average Difference" N 102 1.706 0.517 1.634 18222 116 1 20 "Average Difference" HA 70 0.275 0.029 0.276 18222 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18222 118 1 20 "Average Difference" CA 106 1.336 0.904 0.988 18222 119 1 20 "Average Difference" CB 88 1.451 0.761 1.243 18222 120 1 20 "Average Difference" HN 102 0.407 0.215 0.347 18222 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 18222 _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 VAL N N 2 121.590 121.590 122.899 -1.309 18222 2 1 . 1 1 2 2 VAL CA C 2 61.600 61.600 62.036 -0.436 18222 3 1 . 1 1 2 2 VAL CB C 2 31.900 31.900 32.996 -1.095 18222 4 1 . 1 1 2 2 VAL H H 2 8.010 8.010 8.339 -0.329 18222 5 1 . 1 1 3 3 ASN N N 3 122.520 122.520 123.567 -1.047 18222 6 1 . 1 1 3 3 ASN HA H 3 4.020 4.020 4.719 -0.699 18222 7 1 . 1 1 3 3 ASN CA C 3 52.640 52.640 53.571 -0.931 18222 8 1 . 1 1 3 3 ASN CB C 3 38.330 38.330 39.158 -0.828 18222 9 1 . 1 1 3 3 ASN H H 3 8.360 8.360 8.609 -0.249 18222 10 1 . 1 1 4 4 LEU N N 4 123.830 123.830 120.885 2.945 18222 11 1 . 1 1 4 4 LEU HA H 4 4.220 4.220 4.365 -0.145 18222 12 1 . 1 1 4 4 LEU CA C 4 54.620 54.620 55.619 -0.999 18222 13 1 . 1 1 4 4 LEU CB C 4 41.680 41.680 42.540 -0.860 18222 14 1 . 1 1 4 4 LEU H H 4 8.220 8.220 8.263 -0.043 18222 15 1 . 1 1 5 5 GLY N N 5 106.810 106.810 108.470 -1.660 18222 16 1 . 1 1 5 5 GLY CA C 5 45.800 45.800 45.064 0.736 18222 17 1 . 1 1 5 5 GLY H H 5 8.030 8.030 8.071 -0.041 18222 18 1 . 1 1 6 6 LEU N N 6 120.820 120.820 121.882 -1.062 18222 19 1 . 1 1 6 6 LEU HA H 6 4.050 4.050 4.368 -0.318 18222 20 1 . 1 1 6 6 LEU CA C 6 55.990 55.990 56.727 -0.737 18222 21 1 . 1 1 6 6 LEU CB C 6 40.800 40.800 41.986 -1.186 18222 22 1 . 1 1 6 6 LEU H H 6 8.030 8.030 8.298 -0.268 18222 23 1 . 1 1 7 7 SER N N 7 115.540 115.540 115.454 0.086 18222 24 1 . 1 1 7 7 SER HA H 7 4.100 4.100 4.161 -0.061 18222 25 1 . 1 1 7 7 SER CA C 7 60.580 60.580 61.701 -1.121 18222 26 1 . 1 1 7 7 SER CB C 7 62.060 62.060 62.666 -0.606 18222 27 1 . 1 1 7 7 SER H H 7 8.360 8.360 8.409 -0.049 18222 28 1 . 1 1 8 8 ARG N N 8 120.690 120.690 121.234 -0.544 18222 29 1 . 1 1 8 8 ARG HA H 8 4.160 4.160 4.096 0.064 18222 30 1 . 1 1 8 8 ARG CA C 8 57.350 57.350 59.237 -1.887 18222 31 1 . 1 1 8 8 ARG CB C 8 29.230 29.230 29.945 -0.715 18222 32 1 . 1 1 8 8 ARG H H 8 7.830 7.830 8.192 -0.362 18222 33 1 . 1 1 9 9 VAL N N 9 119.330 119.330 119.985 -0.655 18222 34 1 . 1 1 9 9 VAL HA H 9 4.170 4.170 3.664 0.506 18222 35 1 . 1 1 9 9 VAL CA C 9 64.720 64.720 66.679 -1.959 18222 36 1 . 1 1 9 9 VAL CB C 9 30.900 30.900 31.516 -0.616 18222 37 1 . 1 1 9 9 VAL H H 9 7.620 7.620 7.886 -0.266 18222 38 1 . 1 1 10 10 ASP N N 10 119.520 119.520 120.151 -0.631 18222 39 1 . 1 1 10 10 ASP CA C 10 54.960 54.960 57.753 -2.793 18222 40 1 . 1 1 10 10 ASP CB C 10 37.800 37.800 40.548 -2.748 18222 41 1 . 1 1 10 10 ASP H H 10 8.180 8.180 8.236 -0.056 18222 42 1 . 1 1 11 11 ASP N N 11 121.550 121.550 120.543 1.007 18222 43 1 . 1 1 11 11 ASP CA C 11 54.440 54.440 57.215 -2.775 18222 44 1 . 1 1 11 11 ASP CB C 11 37.840 37.840 40.803 -2.963 18222 45 1 . 1 1 11 11 ASP H H 11 7.950 7.950 8.205 -0.255 18222 46 1 . 1 1 12 12 ALA N N 12 120.220 120.220 122.763 -2.543 18222 47 1 . 1 1 12 12 ALA CA C 12 54.370 54.370 55.229 -0.859 18222 48 1 . 1 1 12 12 ALA CB C 12 24.730 24.730 18.522 6.208 18222 49 1 . 1 1 12 12 ALA H H 12 8.090 8.090 8.063 0.027 18222 50 1 . 1 1 13 13 VAL N N 13 116.910 116.910 117.956 -1.046 18222 51 1 . 1 1 13 13 VAL HA H 13 4.140 4.140 3.677 0.463 18222 52 1 . 1 1 13 13 VAL CA C 13 64.900 64.900 65.589 -0.689 18222 53 1 . 1 1 13 13 VAL CB C 13 31.000 31.000 31.365 -0.365 18222 54 1 . 1 1 13 13 VAL H H 13 7.980 7.980 8.180 -0.200 18222 55 1 . 1 1 14 14 ALA N N 14 122.200 122.200 122.530 -0.330 18222 56 1 . 1 1 14 14 ALA HA H 14 4.020 4.020 4.097 -0.077 18222 57 1 . 1 1 14 14 ALA CA C 14 53.800 53.800 54.935 -1.135 18222 58 1 . 1 1 14 14 ALA CB C 14 17.790 17.790 18.350 -0.560 18222 59 1 . 1 1 14 14 ALA H H 14 8.030 8.030 7.984 0.046 18222 60 1 . 1 1 15 15 ALA N N 15 118.600 118.600 118.942 -0.342 18222 61 1 . 1 1 15 15 ALA CA C 15 53.230 53.230 54.065 -0.835 18222 62 1 . 1 1 15 15 ALA CB C 15 18.010 18.010 18.652 -0.642 18222 63 1 . 1 1 15 15 ALA H H 15 7.530 7.530 7.974 -0.444 18222 64 1 . 1 1 16 16 LYS N N 16 115.820 115.820 117.196 -1.376 18222 65 1 . 1 1 16 16 LYS HA H 16 4.080 4.080 4.228 -0.148 18222 66 1 . 1 1 16 16 LYS CA C 16 55.670 55.670 57.155 -1.485 18222 67 1 . 1 1 16 16 LYS CB C 16 32.640 32.640 33.276 -0.636 18222 68 1 . 1 1 16 16 LYS H H 16 7.490 7.490 7.649 -0.159 18222 69 1 . 1 1 17 17 HIS N N 17 116.790 116.790 118.802 -2.012 18222 70 1 . 1 1 17 17 HIS HA H 17 4.100 4.100 4.895 -0.795 18222 71 1 . 1 1 17 17 HIS CA C 17 52.820 52.820 53.194 -0.374 18222 72 1 . 1 1 17 17 HIS CB C 17 28.400 28.400 30.796 -2.396 18222 73 1 . 1 1 17 17 HIS H H 17 8.130 8.130 7.896 0.234 18222 74 1 . 1 1 18 18 PRO CA C 18 63.800 63.800 63.110 0.690 18222 75 1 . 1 1 18 18 PRO CB C 18 30.800 30.800 32.299 -1.499 18222 76 1 . 1 1 19 19 GLY N N 19 110.260 110.260 108.688 1.572 18222 77 1 . 1 1 19 19 GLY CA C 19 45.490 45.490 45.274 0.216 18222 78 1 . 1 1 19 19 GLY H H 19 8.730 8.730 8.160 0.570 18222 79 1 . 1 1 20 20 LEU N N 20 122.650 122.650 124.002 -1.352 18222 80 1 . 1 1 20 20 LEU HA H 20 4.090 4.090 4.253 -0.164 18222 81 1 . 1 1 20 20 LEU CA C 20 57.060 57.060 57.425 -0.365 18222 82 1 . 1 1 20 20 LEU H H 20 7.980 7.980 8.374 -0.394 18222 83 1 . 1 1 21 21 GLY N N 21 107.000 107.000 106.820 0.180 18222 84 1 . 1 1 21 21 GLY CA C 21 46.710 46.710 47.108 -0.398 18222 85 1 . 1 1 21 21 GLY H H 21 8.570 8.570 8.491 0.079 18222 86 1 . 1 1 22 22 GLU N N 22 121.610 121.610 122.027 -0.417 18222 87 1 . 1 1 22 22 GLU HA H 22 3.990 3.990 4.042 -0.052 18222 88 1 . 1 1 22 22 GLU CA C 22 58.280 58.280 59.419 -1.139 18222 89 1 . 1 1 22 22 GLU CB C 22 28.010 28.010 29.431 -1.421 18222 90 1 . 1 1 22 22 GLU H H 22 8.100 8.100 8.289 -0.189 18222 91 1 . 1 1 23 23 TYR N N 23 120.870 120.870 120.476 0.394 18222 92 1 . 1 1 23 23 TYR CA C 23 60.380 60.380 61.213 -0.833 18222 93 1 . 1 1 23 23 TYR CB C 23 37.750 37.750 38.247 -0.497 18222 94 1 . 1 1 23 23 TYR H H 23 7.910 7.910 8.175 -0.265 18222 95 1 . 1 1 24 24 ALA N N 24 121.420 121.420 121.448 -0.028 18222 96 1 . 1 1 24 24 ALA HA H 24 4.140 4.140 3.903 0.237 18222 97 1 . 1 1 24 24 ALA CA C 24 54.260 54.260 54.920 -0.660 18222 98 1 . 1 1 24 24 ALA H H 24 8.410 8.410 8.565 -0.155 18222 99 1 . 1 1 25 25 ALA N N 25 120.220 120.220 121.758 -1.538 18222 100 1 . 1 1 25 25 ALA CA C 25 54.370 54.370 54.996 -0.626 18222 101 1 . 1 1 25 25 ALA H H 25 8.090 8.090 8.240 -0.150 18222 102 1 . 1 1 26 26 CYS N N 26 116.760 116.760 117.361 -0.601 18222 103 1 . 1 1 26 26 CYS CA C 26 61.180 61.180 62.866 -1.686 18222 104 1 . 1 1 26 26 CYS CB C 26 26.390 26.390 27.055 -0.665 18222 105 1 . 1 1 26 26 CYS H H 26 7.950 7.950 8.313 -0.363 18222 106 1 . 1 1 27 27 GLN N N 27 118.690 118.690 120.713 -2.023 18222 107 1 . 1 1 27 27 GLN CA C 27 55.970 55.970 59.389 -3.419 18222 108 1 . 1 1 27 27 GLN H H 27 8.060 8.060 8.223 -0.163 18222 109 1 . 1 1 28 28 SER N N 28 115.490 115.490 115.413 0.077 18222 110 1 . 1 1 28 28 SER HA H 28 3.990 3.990 4.162 -0.172 18222 111 1 . 1 1 28 28 SER CA C 28 61.110 61.110 61.734 -0.624 18222 112 1 . 1 1 28 28 SER H H 28 7.980 7.980 8.364 -0.384 18222 113 1 . 1 1 29 29 HIS N N 29 120.880 120.880 121.641 -0.761 18222 114 1 . 1 1 29 29 HIS CA C 29 58.190 58.190 59.771 -1.581 18222 115 1 . 1 1 29 29 HIS CB C 29 27.460 27.460 30.029 -2.569 18222 116 1 . 1 1 29 29 HIS H H 29 8.180 8.180 8.358 -0.178 18222 117 1 . 1 1 30 30 ALA N N 30 122.920 122.920 122.460 0.460 18222 118 1 . 1 1 30 30 ALA CA C 30 54.560 54.560 55.283 -0.722 18222 119 1 . 1 1 30 30 ALA CB C 30 17.490 17.490 18.319 -0.829 18222 120 1 . 1 1 30 30 ALA H H 30 8.040 8.040 8.162 -0.122 18222 121 1 . 1 1 31 31 PHE N N 31 119.340 119.340 119.336 0.004 18222 122 1 . 1 1 31 31 PHE CA C 31 60.370 60.370 61.725 -1.355 18222 123 1 . 1 1 31 31 PHE CB C 31 38.520 38.520 39.229 -0.709 18222 124 1 . 1 1 31 31 PHE H H 31 8.230 8.230 8.453 -0.223 18222 125 1 . 1 1 32 32 MET N N 32 118.110 118.110 119.368 -1.258 18222 126 1 . 1 1 32 32 MET HA H 32 4.050 4.050 4.019 0.031 18222 127 1 . 1 1 32 32 MET CA C 32 58.280 58.280 59.267 -0.987 18222 128 1 . 1 1 32 32 MET CB C 32 31.090 31.090 32.358 -1.268 18222 129 1 . 1 1 32 32 MET H H 32 8.120 8.120 8.557 -0.437 18222 130 1 . 1 1 33 33 LYS N N 33 119.040 119.040 119.477 -0.437 18222 131 1 . 1 1 33 33 LYS HA H 33 3.930 3.930 3.976 -0.046 18222 132 1 . 1 1 33 33 LYS CA C 33 59.040 59.040 59.772 -0.732 18222 133 1 . 1 1 33 33 LYS CB C 33 30.990 30.990 32.351 -1.361 18222 134 1 . 1 1 33 33 LYS H H 33 7.970 7.970 8.341 -0.371 18222 135 1 . 1 1 34 34 GLY N N 34 108.840 108.840 107.544 1.296 18222 136 1 . 1 1 34 34 GLY CA C 34 46.610 46.610 47.216 -0.606 18222 137 1 . 1 1 34 34 GLY H H 34 8.030 8.030 8.235 -0.205 18222 138 1 . 1 1 35 35 VAL N N 35 122.910 122.910 122.242 0.668 18222 139 1 . 1 1 35 35 VAL HA H 35 4.220 4.220 3.655 0.565 18222 140 1 . 1 1 35 35 VAL CA C 35 66.310 66.310 65.538 0.772 18222 141 1 . 1 1 35 35 VAL CB C 35 30.560 30.560 31.551 -0.991 18222 142 1 . 1 1 35 35 VAL H H 35 8.090 8.090 8.158 -0.068 18222 143 1 . 1 1 36 36 PHE N N 36 120.020 120.020 120.642 -0.622 18222 144 1 . 1 1 36 36 PHE CA C 36 61.350 61.350 62.110 -0.760 18222 145 1 . 1 1 36 36 PHE CB C 36 38.090 38.090 38.903 -0.813 18222 146 1 . 1 1 36 36 PHE H H 36 8.350 8.350 8.410 -0.060 18222 147 1 . 1 1 37 37 THR N N 37 116.980 116.980 115.687 1.293 18222 148 1 . 1 1 37 37 THR HA H 37 4.050 4.050 3.884 0.166 18222 149 1 . 1 1 37 37 THR CA C 37 66.000 66.000 66.723 -0.723 18222 150 1 . 1 1 37 37 THR CB C 37 68.270 68.270 68.857 -0.587 18222 151 1 . 1 1 37 37 THR H H 37 8.520 8.520 8.351 0.169 18222 152 1 . 1 1 38 38 PHE N N 38 123.090 123.090 120.241 2.849 18222 153 1 . 1 1 38 38 PHE HA H 38 4.360 4.360 4.235 0.125 18222 154 1 . 1 1 38 38 PHE CA C 38 61.140 61.140 61.217 -0.077 18222 155 1 . 1 1 38 38 PHE CB C 38 41.200 41.200 39.267 1.933 18222 156 1 . 1 1 38 38 PHE H H 38 8.010 8.010 8.061 -0.051 18222 157 1 . 1 1 39 39 VAL N N 39 117.280 117.280 119.010 -1.730 18222 158 1 . 1 1 39 39 VAL HA H 39 4.210 4.210 3.691 0.519 18222 159 1 . 1 1 39 39 VAL CA C 39 66.000 66.000 65.812 0.187 18222 160 1 . 1 1 39 39 VAL CB C 39 30.860 30.860 31.510 -0.650 18222 161 1 . 1 1 39 39 VAL H H 39 8.530 8.530 8.613 -0.082 18222 162 1 . 1 1 40 40 THR N N 40 109.470 109.470 114.498 -5.028 18222 163 1 . 1 1 40 40 THR HA H 40 4.060 4.060 4.078 -0.018 18222 164 1 . 1 1 40 40 THR CA C 40 63.390 63.390 64.816 -1.426 18222 165 1 . 1 1 40 40 THR CB C 40 68.650 68.650 68.283 0.367 18222 166 1 . 1 1 40 40 THR H H 40 7.700 7.700 7.931 -0.231 18222 167 1 . 1 1 41 41 GLY N N 41 110.770 110.770 108.698 2.072 18222 168 1 . 1 1 41 41 GLY CA C 41 45.580 45.580 45.614 -0.034 18222 169 1 . 1 1 41 41 GLY H H 41 7.700 7.700 7.838 -0.138 18222 170 1 . 1 1 42 42 THR N N 42 114.520 114.520 115.719 -1.199 18222 171 1 . 1 1 42 42 THR CA C 42 63.300 63.300 61.693 1.607 18222 172 1 . 1 1 42 42 THR CB C 42 69.490 69.490 68.228 1.262 18222 173 1 . 1 1 42 42 THR H H 42 7.720 7.720 7.614 0.106 18222 174 1 . 1 1 43 43 GLY N N 43 109.540 109.540 110.289 -0.749 18222 175 1 . 1 1 43 43 GLY CA C 43 46.250 46.250 46.532 -0.281 18222 176 1 . 1 1 43 43 GLY H H 43 8.110 8.110 8.148 -0.038 18222 177 1 . 1 1 44 44 MET N N 44 120.240 120.240 120.871 -0.632 18222 178 1 . 1 1 44 44 MET HA H 44 4.100 4.100 4.053 0.047 18222 179 1 . 1 1 44 44 MET CA C 44 57.700 57.700 58.750 -1.050 18222 180 1 . 1 1 44 44 MET CB C 44 32.030 32.030 32.326 -0.296 18222 181 1 . 1 1 44 44 MET H H 44 7.730 7.730 7.991 -0.261 18222 182 1 . 1 1 45 45 ALA N N 45 121.560 121.560 121.621 -0.061 18222 183 1 . 1 1 45 45 ALA CA C 45 54.440 54.440 55.087 -0.647 18222 184 1 . 1 1 45 45 ALA CB C 45 17.400 17.400 17.836 -0.436 18222 185 1 . 1 1 45 45 ALA H H 45 7.950 7.950 7.804 0.146 18222 186 1 . 1 1 46 46 PHE N N 46 118.260 118.260 118.979 -0.719 18222 187 1 . 1 1 46 46 PHE HA H 46 3.930 3.930 4.239 -0.309 18222 188 1 . 1 1 46 46 PHE CA C 46 59.820 59.820 60.802 -0.982 18222 189 1 . 1 1 46 46 PHE CB C 46 38.260 38.260 38.655 -0.395 18222 190 1 . 1 1 46 46 PHE H H 46 7.860 7.860 8.046 -0.186 18222 191 1 . 1 1 47 47 GLY N N 47 107.300 107.300 108.250 -0.950 18222 192 1 . 1 1 47 47 GLY CA C 47 46.560 46.560 47.238 -0.678 18222 193 1 . 1 1 47 47 GLY H H 47 8.200 8.200 8.570 -0.370 18222 194 1 . 1 1 48 48 LEU N N 48 121.920 121.920 123.066 -1.146 18222 195 1 . 1 1 48 48 LEU HA H 48 4.040 4.040 4.019 0.021 18222 196 1 . 1 1 48 48 LEU CA C 48 57.580 57.580 58.162 -0.582 18222 197 1 . 1 1 48 48 LEU CB C 48 40.790 40.790 41.913 -1.123 18222 198 1 . 1 1 48 48 LEU H H 48 8.180 8.180 8.322 -0.142 18222 199 1 . 1 1 49 49 GLN N N 49 118.270 118.270 118.326 -0.056 18222 200 1 . 1 1 49 49 GLN HA H 49 3.830 3.830 3.944 -0.114 18222 201 1 . 1 1 49 49 GLN CA C 49 58.880 58.880 59.068 -0.188 18222 202 1 . 1 1 49 49 GLN CB C 49 27.240 27.240 28.505 -1.265 18222 203 1 . 1 1 49 49 GLN H H 49 8.080 8.080 8.179 -0.099 18222 204 1 . 1 1 50 50 MET N N 50 117.630 117.630 120.002 -2.372 18222 205 1 . 1 1 50 50 MET HA H 50 4.010 4.010 4.180 -0.170 18222 206 1 . 1 1 50 50 MET CA C 50 57.730 57.730 58.974 -1.244 18222 207 1 . 1 1 50 50 MET CB C 50 27.160 27.160 32.682 -5.522 18222 208 1 . 1 1 50 50 MET H H 50 7.880 7.880 8.256 -0.376 18222 209 1 . 1 1 51 51 PHE N N 51 119.550 119.550 119.643 -0.093 18222 210 1 . 1 1 51 51 PHE CA C 51 60.850 60.850 61.773 -0.923 18222 211 1 . 1 1 51 51 PHE CB C 51 38.720 38.720 39.171 -0.451 18222 212 1 . 1 1 51 51 PHE H H 51 7.890 7.890 8.295 -0.405 18222 213 1 . 1 1 52 52 ILE N N 52 117.950 117.950 117.469 0.481 18222 214 1 . 1 1 52 52 ILE HA H 52 4.050 4.050 3.903 0.147 18222 215 1 . 1 1 52 52 ILE CA C 52 63.560 63.560 64.181 -0.621 18222 216 1 . 1 1 52 52 ILE CB C 52 36.810 36.810 38.109 -1.299 18222 217 1 . 1 1 52 52 ILE H H 52 8.110 8.110 8.221 -0.111 18222 218 1 . 1 1 53 53 GLN N N 53 117.360 117.360 119.501 -2.141 18222 219 1 . 1 1 53 53 GLN CA C 53 57.200 57.200 58.433 -1.233 18222 220 1 . 1 1 53 53 GLN CB C 53 27.870 27.870 28.315 -0.445 18222 221 1 . 1 1 53 53 GLN H H 53 7.930 7.930 8.321 -0.391 18222 222 1 . 1 1 54 54 ARG N N 54 116.840 116.840 118.692 -1.852 18222 223 1 . 1 1 54 54 ARG HA H 54 3.950 3.950 4.178 -0.228 18222 224 1 . 1 1 54 54 ARG CA C 54 56.480 56.480 57.867 -1.387 18222 225 1 . 1 1 54 54 ARG CB C 54 28.970 28.970 29.976 -1.006 18222 226 1 . 1 1 54 54 ARG H H 54 7.540 7.540 7.852 -0.312 18222 227 1 . 1 1 55 55 LYS N N 55 117.900 117.900 117.470 0.430 18222 228 1 . 1 1 55 55 LYS HA H 55 4.080 4.080 4.251 -0.171 18222 229 1 . 1 1 55 55 LYS CA C 55 55.030 55.030 56.880 -1.850 18222 230 1 . 1 1 55 55 LYS CB C 55 32.010 32.010 32.868 -0.858 18222 231 1 . 1 1 55 55 LYS H H 55 7.660 7.660 7.403 0.257 18222 232 1 . 1 1 56 56 PHE N N 56 121.060 121.060 121.047 0.013 18222 233 1 . 1 1 56 56 PHE CA C 56 55.190 55.190 55.261 -0.071 18222 234 1 . 1 1 56 56 PHE CB C 56 38.970 38.970 39.755 -0.785 18222 235 1 . 1 1 56 56 PHE H H 56 8.080 8.080 7.894 0.186 18222 236 1 . 1 1 57 57 PRO CA C 57 62.390 62.390 63.557 -1.167 18222 237 1 . 1 1 57 57 PRO CB C 57 30.580 30.580 31.379 -0.799 18222 238 1 . 1 1 58 58 TYR N N 58 120.240 120.240 121.133 -0.893 18222 239 1 . 1 1 58 58 TYR CA C 58 55.770 55.770 55.176 0.594 18222 240 1 . 1 1 58 58 TYR CB C 58 40.220 40.220 39.677 0.543 18222 241 1 . 1 1 58 58 TYR H H 58 7.700 7.700 7.966 -0.266 18222 242 1 . 1 1 59 59 PRO CA C 59 62.130 62.130 63.823 -1.693 18222 243 1 . 1 1 59 59 PRO CB C 59 33.340 33.340 32.190 1.150 18222 244 1 . 1 1 60 60 LEU N N 60 122.210 122.210 119.565 2.645 18222 245 1 . 1 1 60 60 LEU CA C 60 54.250 54.250 54.285 -0.035 18222 246 1 . 1 1 60 60 LEU CB C 60 41.470 41.470 43.099 -1.629 18222 247 1 . 1 1 60 60 LEU H H 60 7.880 7.880 7.758 0.122 18222 248 1 . 1 1 61 61 GLN N N 61 122.470 122.470 121.066 1.404 18222 249 1 . 1 1 61 61 GLN CA C 61 54.170 54.170 55.281 -1.111 18222 250 1 . 1 1 61 61 GLN H H 61 7.970 7.970 8.318 -0.348 18222 251 1 . 1 1 62 62 TRP N N 62 124.590 124.590 125.001 -0.411 18222 252 1 . 1 1 62 62 TRP CA C 62 59.830 59.830 60.754 -0.924 18222 253 1 . 1 1 62 62 TRP CB C 62 28.800 28.800 29.231 -0.431 18222 254 1 . 1 1 62 62 TRP H H 62 8.240 8.240 8.783 -0.543 18222 255 1 . 1 1 63 63 SER N N 63 113.320 113.320 114.853 -1.533 18222 256 1 . 1 1 63 63 SER CA C 63 61.100 61.100 61.533 -0.433 18222 257 1 . 1 1 63 63 SER H H 63 8.410 8.410 8.126 0.284 18222 258 1 . 1 1 64 64 LEU N N 64 123.230 123.230 122.214 1.016 18222 259 1 . 1 1 64 64 LEU CA C 64 56.880 56.880 57.422 -0.542 18222 260 1 . 1 1 64 64 LEU CB C 64 40.830 40.830 41.441 -0.611 18222 261 1 . 1 1 64 64 LEU H H 64 7.230 7.230 7.893 -0.663 18222 262 1 . 1 1 65 65 LEU N N 65 119.400 119.400 120.696 -1.296 18222 263 1 . 1 1 65 65 LEU HA H 65 3.890 3.890 4.053 -0.163 18222 264 1 . 1 1 65 65 LEU CA C 65 57.580 57.580 58.350 -0.770 18222 265 1 . 1 1 65 65 LEU CB C 65 40.710 40.710 41.751 -1.041 18222 266 1 . 1 1 65 65 LEU H H 65 7.510 7.510 8.578 -1.068 18222 267 1 . 1 1 66 66 VAL N N 66 116.950 116.950 119.197 -2.247 18222 268 1 . 1 1 66 66 VAL HA H 66 3.960 3.960 3.665 0.295 18222 269 1 . 1 1 66 66 VAL CA C 66 66.260 66.260 65.756 0.504 18222 270 1 . 1 1 66 66 VAL CB C 66 30.570 30.570 31.098 -0.528 18222 271 1 . 1 1 66 66 VAL H H 66 7.950 7.950 8.274 -0.324 18222 272 1 . 1 1 67 67 ALA N N 67 120.650 120.650 122.681 -2.031 18222 273 1 . 1 1 67 67 ALA HA H 67 4.000 4.000 4.112 -0.112 18222 274 1 . 1 1 67 67 ALA CA C 67 54.780 54.780 55.247 -0.467 18222 275 1 . 1 1 67 67 ALA CB C 67 17.440 17.440 18.351 -0.911 18222 276 1 . 1 1 67 67 ALA H H 67 7.450 7.450 8.048 -0.598 18222 277 1 . 1 1 68 68 VAL N N 68 118.440 118.440 118.733 -0.293 18222 278 1 . 1 1 68 68 VAL HA H 68 3.750 3.750 3.656 0.094 18222 279 1 . 1 1 68 68 VAL CA C 68 65.250 65.250 66.609 -1.359 18222 280 1 . 1 1 68 68 VAL CB C 68 30.850 30.850 31.855 -1.005 18222 281 1 . 1 1 68 68 VAL H H 68 7.960 7.960 7.872 0.088 18222 282 1 . 1 1 69 69 VAL N N 69 120.800 120.800 120.405 0.395 18222 283 1 . 1 1 69 69 VAL HA H 69 4.220 4.220 3.611 0.609 18222 284 1 . 1 1 69 69 VAL CA C 69 66.020 66.020 66.875 -0.855 18222 285 1 . 1 1 69 69 VAL CB C 69 30.850 30.850 31.118 -0.268 18222 286 1 . 1 1 69 69 VAL H H 69 8.080 8.080 8.480 -0.400 18222 287 1 . 1 1 70 70 ALA N N 70 121.740 121.740 120.728 1.013 18222 288 1 . 1 1 70 70 ALA HA H 70 3.920 3.920 4.180 -0.260 18222 289 1 . 1 1 70 70 ALA CA C 70 54.920 54.920 55.346 -0.427 18222 290 1 . 1 1 70 70 ALA CB C 70 17.620 17.620 18.070 -0.450 18222 291 1 . 1 1 70 70 ALA H H 70 8.660 8.660 8.543 0.117 18222 292 1 . 1 1 71 71 GLY N N 71 103.450 103.450 106.994 -3.544 18222 293 1 . 1 1 71 71 GLY CA C 71 46.300 46.300 46.967 -0.667 18222 294 1 . 1 1 71 71 GLY H H 71 8.010 8.010 8.081 -0.071 18222 295 1 . 1 1 72 72 SER N N 72 118.160 118.160 117.909 0.251 18222 296 1 . 1 1 72 72 SER CA C 72 61.260 61.260 61.755 -0.495 18222 297 1 . 1 1 72 72 SER CB C 72 62.870 62.870 63.147 -0.277 18222 298 1 . 1 1 72 72 SER H H 72 7.870 7.870 8.068 -0.198 18222 299 1 . 1 1 73 73 VAL N N 73 121.340 121.340 122.222 -0.882 18222 300 1 . 1 1 73 73 VAL CA C 73 65.750 65.750 66.703 -0.953 18222 301 1 . 1 1 73 73 VAL CB C 73 30.740 30.740 31.554 -0.814 18222 302 1 . 1 1 73 73 VAL H H 73 8.050 8.050 8.205 -0.155 18222 303 1 . 1 1 74 74 VAL N N 74 118.680 118.680 118.947 -0.267 18222 304 1 . 1 1 74 74 VAL CA C 74 65.770 65.770 66.528 -0.758 18222 305 1 . 1 1 74 74 VAL CB C 74 30.740 30.740 31.006 -0.266 18222 306 1 . 1 1 74 74 VAL H H 74 7.880 7.880 8.554 -0.674 18222 307 1 . 1 1 75 75 SER N N 75 114.750 114.750 116.439 -1.689 18222 308 1 . 1 1 75 75 SER HA H 75 4.100 4.100 4.185 -0.085 18222 309 1 . 1 1 75 75 SER CA C 75 60.870 60.870 61.936 -1.066 18222 310 1 . 1 1 75 75 SER CB C 75 62.340 62.340 63.015 -0.675 18222 311 1 . 1 1 75 75 SER H H 75 7.870 7.870 8.000 -0.130 18222 312 1 . 1 1 76 76 TYR N N 76 121.110 121.110 122.261 -1.151 18222 313 1 . 1 1 76 76 TYR CA C 76 60.050 60.050 61.624 -1.574 18222 314 1 . 1 1 76 76 TYR CB C 76 37.980 37.980 38.500 -0.520 18222 315 1 . 1 1 76 76 TYR H H 76 7.860 7.860 8.583 -0.723 18222 316 1 . 1 1 77 77 GLY N N 77 107.300 107.300 106.878 0.422 18222 317 1 . 1 1 77 77 GLY CA C 77 46.560 46.560 47.322 -0.762 18222 318 1 . 1 1 77 77 GLY H H 77 8.200 8.200 8.560 -0.360 18222 319 1 . 1 1 78 78 VAL N N 78 119.470 119.470 121.234 -1.764 18222 320 1 . 1 1 78 78 VAL HA H 78 4.170 4.170 3.756 0.413 18222 321 1 . 1 1 78 78 VAL CA C 78 64.650 64.650 65.932 -1.282 18222 322 1 . 1 1 78 78 VAL H H 78 8.140 8.140 8.621 -0.481 18222 323 1 . 1 1 79 79 THR N N 79 112.100 112.100 116.723 -4.623 18222 324 1 . 1 1 79 79 THR CA C 79 63.460 63.460 66.712 -3.252 18222 325 1 . 1 1 79 79 THR CB C 79 68.650 68.650 68.473 0.177 18222 326 1 . 1 1 79 79 THR H H 79 7.640 7.640 8.050 -0.410 18222 327 1 . 1 1 80 80 ARG N N 80 120.770 120.770 122.031 -1.261 18222 328 1 . 1 1 80 80 ARG HA H 80 4.160 4.160 4.111 0.049 18222 329 1 . 1 1 80 80 ARG CA C 80 56.790 56.790 59.579 -2.789 18222 330 1 . 1 1 80 80 ARG CB C 80 29.430 29.430 30.170 -0.740 18222 331 1 . 1 1 80 80 ARG H H 80 7.680 7.680 8.062 -0.382 18222 332 1 . 1 1 81 81 VAL N N 81 118.370 118.370 119.334 -0.964 18222 333 1 . 1 1 81 81 VAL HA H 81 3.920 3.920 3.763 0.157 18222 334 1 . 1 1 81 81 VAL CA C 81 63.340 63.340 66.444 -3.104 18222 335 1 . 1 1 81 81 VAL CB C 81 31.260 31.260 31.607 -0.347 18222 336 1 . 1 1 81 81 VAL H H 81 7.730 7.730 8.291 -0.561 18222 337 1 . 1 1 82 82 GLU N N 82 120.620 120.620 119.657 0.963 18222 338 1 . 1 1 82 82 GLU CA C 82 56.320 56.320 59.515 -3.195 18222 339 1 . 1 1 82 82 GLU CB C 82 27.930 27.930 29.268 -1.338 18222 340 1 . 1 1 82 82 GLU H H 82 7.920 7.920 8.527 -0.607 18222 341 1 . 1 1 83 83 SER N N 83 116.240 116.240 116.165 0.075 18222 342 1 . 1 1 83 83 SER CA C 83 59.250 59.250 61.807 -2.557 18222 343 1 . 1 1 83 83 SER CB C 83 63.160 63.160 62.957 0.204 18222 344 1 . 1 1 83 83 SER H H 83 7.960 7.960 8.053 -0.093 18222 345 1 . 1 1 84 84 GLU N N 84 123.280 123.280 121.949 1.331 18222 346 1 . 1 1 84 84 GLU HA H 84 4.080 4.080 4.003 0.077 18222 347 1 . 1 1 84 84 GLU CA C 84 57.860 57.860 59.758 -1.898 18222 348 1 . 1 1 84 84 GLU CB C 84 28.190 28.190 29.654 -1.464 18222 349 1 . 1 1 84 84 GLU H H 84 8.470 8.470 8.084 0.386 18222 350 1 . 1 1 85 85 LYS N N 85 118.650 118.650 119.530 -0.880 18222 351 1 . 1 1 85 85 LYS HA H 85 4.100 4.100 4.070 0.030 18222 352 1 . 1 1 85 85 LYS CA C 85 57.780 57.780 59.339 -1.559 18222 353 1 . 1 1 85 85 LYS CB C 85 31.380 31.380 32.352 -0.972 18222 354 1 . 1 1 85 85 LYS H H 85 7.940 7.940 8.118 -0.178 18222 355 1 . 1 1 86 86 CYS N N 86 117.070 117.070 118.480 -1.410 18222 356 1 . 1 1 86 86 CYS CA C 86 60.910 60.910 62.870 -1.960 18222 357 1 . 1 1 86 86 CYS CB C 86 26.740 26.740 26.688 0.052 18222 358 1 . 1 1 86 86 CYS H H 86 7.840 7.840 8.239 -0.399 18222 359 1 . 1 1 87 87 ASN N N 87 119.370 119.370 119.097 0.273 18222 360 1 . 1 1 87 87 ASN HA H 87 4.130 4.130 4.514 -0.384 18222 361 1 . 1 1 87 87 ASN CA C 87 55.750 55.750 56.628 -0.878 18222 362 1 . 1 1 87 87 ASN CB C 87 38.050 38.050 38.229 -0.179 18222 363 1 . 1 1 87 87 ASN H H 87 8.110 8.110 8.431 -0.321 18222 364 1 . 1 1 88 88 ASN N N 88 117.570 117.570 119.363 -1.793 18222 365 1 . 1 1 88 88 ASN HA H 88 4.280 4.280 4.494 -0.214 18222 366 1 . 1 1 88 88 ASN CA C 88 55.190 55.190 56.188 -0.998 18222 367 1 . 1 1 88 88 ASN CB C 88 37.400 37.400 38.448 -1.047 18222 368 1 . 1 1 88 88 ASN H H 88 8.280 8.280 8.253 0.027 18222 369 1 . 1 1 89 89 LEU N N 89 121.940 121.940 121.829 0.111 18222 370 1 . 1 1 89 89 LEU HA H 89 4.070 4.070 4.083 -0.013 18222 371 1 . 1 1 89 89 LEU CA C 89 57.580 57.580 58.862 -1.283 18222 372 1 . 1 1 89 89 LEU CB C 89 40.490 40.490 41.748 -1.257 18222 373 1 . 1 1 89 89 LEU H H 89 7.790 7.790 8.372 -0.582 18222 374 1 . 1 1 90 90 TRP N N 90 119.220 119.220 120.674 -1.454 18222 375 1 . 1 1 90 90 TRP CA C 90 59.120 59.120 60.830 -1.710 18222 376 1 . 1 1 90 90 TRP CB C 90 28.800 28.800 29.044 -0.244 18222 377 1 . 1 1 90 90 TRP H H 90 7.850 7.850 8.403 -0.553 18222 378 1 . 1 1 91 91 LEU N N 91 117.870 117.870 120.464 -2.594 18222 379 1 . 1 1 91 91 LEU CA C 91 57.300 57.300 58.259 -0.959 18222 380 1 . 1 1 91 91 LEU CB C 91 40.610 40.610 41.681 -1.071 18222 381 1 . 1 1 91 91 LEU H H 91 7.920 7.920 8.245 -0.325 18222 382 1 . 1 1 92 92 PHE N N 92 121.280 121.280 117.848 3.432 18222 383 1 . 1 1 92 92 PHE CA C 92 60.390 60.390 61.686 -1.296 18222 384 1 . 1 1 92 92 PHE CB C 92 37.980 37.980 38.615 -0.635 18222 385 1 . 1 1 92 92 PHE H H 92 7.860 7.860 8.227 -0.367 18222 386 1 . 1 1 93 93 LEU N N 93 119.860 119.860 120.779 -0.919 18222 387 1 . 1 1 93 93 LEU CA C 93 56.860 56.860 58.116 -1.256 18222 388 1 . 1 1 93 93 LEU CB C 93 40.550 40.550 41.749 -1.199 18222 389 1 . 1 1 93 93 LEU H H 93 7.980 7.980 8.698 -0.718 18222 390 1 . 1 1 94 94 GLU N N 94 114.660 114.660 117.938 -3.278 18222 391 1 . 1 1 94 94 GLU HA H 94 3.810 3.810 4.059 -0.249 18222 392 1 . 1 1 94 94 GLU CA C 94 57.210 57.210 58.845 -1.635 18222 393 1 . 1 1 94 94 GLU CB C 94 28.470 28.470 29.410 -0.940 18222 394 1 . 1 1 94 94 GLU H H 94 7.890 7.890 8.231 -0.341 18222 395 1 . 1 1 95 95 THR N N 95 108.260 108.260 111.939 -3.679 18222 396 1 . 1 1 95 95 THR CA C 95 62.150 62.150 62.580 -0.430 18222 397 1 . 1 1 95 95 THR CB C 95 70.810 70.810 69.526 1.284 18222 398 1 . 1 1 95 95 THR H H 95 7.690 7.690 7.593 0.097 18222 399 1 . 1 1 96 96 GLY N N 96 112.220 112.220 109.770 2.450 18222 400 1 . 1 1 96 96 GLY CA C 96 45.410 45.410 45.028 0.382 18222 401 1 . 1 1 96 96 GLY H H 96 8.240 8.240 7.782 0.458 18222 402 1 . 1 1 97 97 GLN N N 97 117.950 117.950 120.177 -2.227 18222 403 1 . 1 1 97 97 GLN HA H 97 4.200 4.200 4.353 -0.153 18222 404 1 . 1 1 97 97 GLN CA C 97 54.430 54.430 55.468 -1.038 18222 405 1 . 1 1 97 97 GLN CB C 97 29.910 29.910 29.341 0.569 18222 406 1 . 1 1 97 97 GLN H H 97 7.640 7.640 8.107 -0.467 18222 407 1 . 1 1 98 98 LEU N N 98 123.810 123.810 123.548 0.262 18222 408 1 . 1 1 98 98 LEU HA H 98 4.360 4.360 4.458 -0.098 18222 409 1 . 1 1 98 98 LEU CA C 98 52.650 52.650 53.983 -1.333 18222 410 1 . 1 1 98 98 LEU CB C 98 40.460 40.460 41.407 -0.947 18222 411 1 . 1 1 98 98 LEU H H 98 8.270 8.270 8.207 0.063 18222 412 1 . 1 1 99 99 PRO CA C 99 63.180 63.180 62.685 0.495 18222 413 1 . 1 1 99 99 PRO CB C 99 30.840 30.840 32.368 -1.528 18222 414 1 . 1 1 100 100 LYS N N 100 120.630 120.630 119.265 1.365 18222 415 1 . 1 1 100 100 LYS CA C 100 55.730 55.730 56.444 -0.714 18222 416 1 . 1 1 100 100 LYS CB C 100 32.280 32.280 33.226 -0.946 18222 417 1 . 1 1 100 100 LYS H H 100 8.090 8.090 8.226 -0.136 18222 418 1 . 1 1 101 101 ASP N N 101 120.920 120.920 120.955 -0.035 18222 419 1 . 1 1 101 101 ASP HA H 101 4.190 4.190 4.702 -0.512 18222 420 1 . 1 1 101 101 ASP CA C 101 54.000 54.000 54.245 -0.245 18222 421 1 . 1 1 101 101 ASP CB C 101 40.330 40.330 41.798 -1.468 18222 422 1 . 1 1 101 101 ASP H H 101 8.190 8.190 8.278 -0.088 18222 423 1 . 1 1 102 102 ARG N N 102 122.210 122.210 121.670 0.540 18222 424 1 . 1 1 102 102 ARG CA C 102 55.590 55.590 55.935 -0.345 18222 425 1 . 1 1 102 102 ARG CB C 102 29.630 29.630 31.509 -1.880 18222 426 1 . 1 1 102 102 ARG H H 102 8.130 8.130 8.448 -0.318 18222 427 1 . 1 1 103 103 SER N N 103 117.230 117.230 117.355 -0.125 18222 428 1 . 1 1 103 103 SER HA H 103 4.280 4.280 4.609 -0.329 18222 429 1 . 1 1 103 103 SER CA C 103 58.470 58.470 58.407 0.063 18222 430 1 . 1 1 103 103 SER CB C 103 63.080 63.080 64.141 -1.060 18222 431 1 . 1 1 103 103 SER H H 103 8.290 8.290 8.478 -0.188 18222 432 1 . 1 1 104 104 THR N N 104 115.430 115.430 116.911 -1.481 18222 433 1 . 1 1 104 104 THR CA C 104 61.570 61.570 62.514 -0.944 18222 434 1 . 1 1 104 104 THR CB C 104 69.030 69.030 69.680 -0.650 18222 435 1 . 1 1 104 104 THR H H 104 8.020 8.020 8.247 -0.227 18222 436 1 . 1 1 105 105 ASP N N 105 122.780 122.780 122.700 0.080 18222 437 1 . 1 1 105 105 ASP CA C 105 54.210 54.210 54.067 0.143 18222 438 1 . 1 1 105 105 ASP CB C 105 40.380 40.380 41.924 -1.544 18222 439 1 . 1 1 105 105 ASP H H 105 8.120 8.120 8.359 -0.239 18222 440 1 . 1 1 106 106 GLN N N 106 120.960 120.960 120.155 0.805 18222 441 1 . 1 1 106 106 GLN CA C 106 55.420 55.420 55.846 -0.426 18222 442 1 . 1 1 106 106 GLN CB C 106 28.310 28.310 30.135 -1.825 18222 443 1 . 1 1 106 106 GLN H H 106 8.140 8.140 8.367 -0.228 18222 444 1 . 1 1 107 107 ARG N N 107 123.010 123.010 122.129 0.881 18222 445 1 . 1 1 107 107 ARG HA H 107 4.210 4.210 4.552 -0.342 18222 446 1 . 1 1 107 107 ARG CA C 107 55.560 55.560 56.203 -0.643 18222 447 1 . 1 1 107 107 ARG CB C 107 29.920 29.920 31.156 -1.236 18222 448 1 . 1 1 107 107 ARG H H 107 8.180 8.180 8.638 -0.458 18222 stop_ save_