data_26068 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 26068 _Entry.PDB_ID 2NDP 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 26068 _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 ALA N N 2 125.690 125.690 124.850 0.840 26068 2 1 1 . 1 1 2 2 ALA C C 2 176.530 176.530 177.122 -0.592 26068 3 1 1 . 1 1 2 2 ALA CA C 2 51.730 51.730 51.931 -0.201 26068 4 1 1 . 1 1 2 2 ALA H H 2 8.250 8.250 8.179 0.071 26068 5 1 1 . 1 1 3 3 LYS N N 3 121.040 121.040 121.536 -0.496 26068 6 1 1 . 1 1 3 3 LYS C C 3 175.520 175.520 175.735 -0.215 26068 7 1 1 . 1 1 3 3 LYS CA C 3 55.230 55.230 55.985 -0.755 26068 8 1 1 . 1 1 3 3 LYS H H 3 8.210 8.210 8.338 -0.128 26068 9 1 1 . 1 1 4 4 ILE N N 4 122.490 122.490 123.355 -0.865 26068 10 1 1 . 1 1 4 4 ILE HA H 4 4.180 4.180 4.340 -0.160 26068 11 1 1 . 1 1 4 4 ILE C C 4 174.950 174.950 174.534 0.416 26068 12 1 1 . 1 1 4 4 ILE CA C 4 59.870 59.870 59.674 0.196 26068 13 1 1 . 1 1 4 4 ILE H H 4 8.170 8.170 8.313 -0.143 26068 14 1 1 . 1 1 5 5 LYS N N 5 126.600 126.600 123.756 2.844 26068 15 1 1 . 1 1 5 5 LYS C C 5 174.330 174.330 175.230 -0.900 26068 16 1 1 . 1 1 5 5 LYS CA C 5 55.060 55.060 57.148 -2.088 26068 17 1 1 . 1 1 5 5 LYS H H 5 8.320 8.320 8.215 0.105 26068 18 1 1 . 1 1 6 6 SER N N 6 118.400 118.400 118.138 0.262 26068 19 1 1 . 1 1 6 6 SER C C 6 174.220 174.220 173.205 1.015 26068 20 1 1 . 1 1 6 6 SER CA C 6 56.300 56.300 57.813 -1.513 26068 21 1 1 . 1 1 6 6 SER H H 6 8.200 8.200 8.267 -0.067 26068 22 1 1 . 1 1 7 7 LEU N N 7 125.400 125.400 116.588 8.812 26068 23 1 1 . 1 1 7 7 LEU C C 7 177.730 177.730 176.167 1.563 26068 24 1 1 . 1 1 7 7 LEU CA C 7 54.950 54.950 54.454 0.496 26068 25 1 1 . 1 1 7 7 LEU CB C 7 42.000 42.000 43.567 -1.567 26068 26 1 1 . 1 1 7 7 LEU H H 7 9.050 9.050 8.211 0.839 26068 27 1 1 . 1 1 8 8 SER N N 8 124.870 124.870 118.308 6.562 26068 28 1 1 . 1 1 8 8 SER HA H 8 4.510 4.510 4.595 -0.085 26068 29 1 1 . 1 1 8 8 SER C C 8 173.810 173.810 175.782 -1.972 26068 30 1 1 . 1 1 8 8 SER CA C 8 56.740 56.740 57.433 -0.693 26068 31 1 1 . 1 1 8 8 SER CB C 8 64.390 64.390 64.831 -0.441 26068 32 1 1 . 1 1 8 8 SER H H 8 9.140 9.140 9.086 0.054 26068 33 1 1 . 1 1 9 9 ALA N N 9 124.340 124.340 124.031 0.309 26068 34 1 1 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.316 0.084 26068 35 1 1 . 1 1 9 9 ALA C C 9 178.940 178.940 179.026 -0.086 26068 36 1 1 . 1 1 9 9 ALA CA C 9 54.940 54.940 54.750 0.190 26068 37 1 1 . 1 1 9 9 ALA H H 9 8.710 8.710 8.787 -0.077 26068 38 1 1 . 1 1 10 10 ALA N N 10 117.990 117.990 120.408 -2.418 26068 39 1 1 . 1 1 10 10 ALA C C 10 180.600 180.600 179.622 0.978 26068 40 1 1 . 1 1 10 10 ALA CA C 10 54.380 54.380 54.786 -0.406 26068 41 1 1 . 1 1 10 10 ALA CB C 10 17.240 17.240 18.462 -1.222 26068 42 1 1 . 1 1 10 10 ALA H H 10 8.380 8.380 7.852 0.528 26068 43 1 1 . 1 1 11 11 GLU N N 11 118.900 118.900 119.347 -0.447 26068 44 1 1 . 1 1 11 11 GLU HA H 11 4.040 4.040 4.076 -0.036 26068 45 1 1 . 1 1 11 11 GLU C C 11 177.770 177.770 178.539 -0.769 26068 46 1 1 . 1 1 11 11 GLU CA C 11 58.210 58.210 59.809 -1.599 26068 47 1 1 . 1 1 11 11 GLU CB C 11 29.310 29.310 29.376 -0.066 26068 48 1 1 . 1 1 11 11 GLU H H 11 7.780 7.780 7.727 0.053 26068 49 1 1 . 1 1 12 12 TYR N N 12 125.590 125.590 120.716 4.874 26068 50 1 1 . 1 1 12 12 TYR C C 12 179.280 179.280 177.414 1.866 26068 51 1 1 . 1 1 12 12 TYR CA C 12 59.690 59.690 60.541 -0.851 26068 52 1 1 . 1 1 12 12 TYR CB C 12 37.530 37.530 38.691 -1.161 26068 53 1 1 . 1 1 12 12 TYR H H 12 8.800 8.800 7.558 1.242 26068 54 1 1 . 1 1 13 13 LEU N N 13 118.240 118.240 121.018 -2.778 26068 55 1 1 . 1 1 13 13 LEU HA H 13 4.130 4.130 3.739 0.391 26068 56 1 1 . 1 1 13 13 LEU C C 13 177.790 177.790 178.350 -0.560 26068 57 1 1 . 1 1 13 13 LEU CA C 13 58.180 58.180 58.300 -0.120 26068 58 1 1 . 1 1 13 13 LEU CB C 13 41.290 41.290 41.734 -0.444 26068 59 1 1 . 1 1 13 13 LEU H H 13 8.770 8.770 8.307 0.463 26068 60 1 1 . 1 1 14 14 LYS N N 14 118.870 118.870 118.613 0.257 26068 61 1 1 . 1 1 14 14 LYS HA H 14 3.980 3.980 3.948 0.032 26068 62 1 1 . 1 1 14 14 LYS C C 14 177.090 177.090 178.765 -1.675 26068 63 1 1 . 1 1 14 14 LYS CA C 14 58.610 58.610 58.891 -0.281 26068 64 1 1 . 1 1 14 14 LYS CB C 14 31.220 31.220 31.852 -0.632 26068 65 1 1 . 1 1 14 14 LYS H H 14 7.790 7.790 7.805 -0.015 26068 66 1 1 . 1 1 15 15 GLU N N 15 119.560 119.560 120.330 -0.770 26068 67 1 1 . 1 1 15 15 GLU HA H 15 4.050 4.050 4.012 0.038 26068 68 1 1 . 1 1 15 15 GLU C C 15 179.660 179.660 178.753 0.907 26068 69 1 1 . 1 1 15 15 GLU CA C 15 59.260 59.260 59.123 0.137 26068 70 1 1 . 1 1 15 15 GLU CB C 15 28.010 28.010 29.115 -1.105 26068 71 1 1 . 1 1 15 15 GLU H H 15 8.330 8.330 7.641 0.689 26068 72 1 1 . 1 1 16 16 MET N N 16 116.760 116.760 117.735 -0.975 26068 73 1 1 . 1 1 16 16 MET HA H 16 4.420 4.420 4.017 0.403 26068 74 1 1 . 1 1 16 16 MET C C 16 178.960 178.960 178.029 0.931 26068 75 1 1 . 1 1 16 16 MET CA C 16 58.200 58.200 57.116 1.084 26068 76 1 1 . 1 1 16 16 MET CB C 16 34.370 34.370 31.818 2.552 26068 77 1 1 . 1 1 16 16 MET H H 16 7.940 7.940 8.154 -0.214 26068 78 1 1 . 1 1 17 17 ALA N N 17 128.000 128.000 120.777 7.223 26068 79 1 1 . 1 1 17 17 ALA HA H 17 4.210 4.210 4.140 0.070 26068 80 1 1 . 1 1 17 17 ALA C C 17 179.620 179.620 178.596 1.024 26068 81 1 1 . 1 1 17 17 ALA CA C 17 54.760 54.760 54.258 0.502 26068 82 1 1 . 1 1 17 17 ALA CB C 17 17.750 17.750 18.439 -0.689 26068 83 1 1 . 1 1 17 17 ALA H H 17 8.820 8.820 7.682 1.138 26068 84 1 1 . 1 1 18 18 ASP N N 18 119.660 119.660 116.891 2.769 26068 85 1 1 . 1 1 18 18 ASP HA H 18 4.420 4.420 4.494 -0.074 26068 86 1 1 . 1 1 18 18 ASP C C 18 177.750 177.750 178.106 -0.356 26068 87 1 1 . 1 1 18 18 ASP CA C 18 55.790 55.790 55.975 -0.185 26068 88 1 1 . 1 1 18 18 ASP CB C 18 38.980 38.980 41.254 -2.274 26068 89 1 1 . 1 1 18 18 ASP H H 18 8.770 8.770 7.813 0.957 26068 90 1 1 . 1 1 19 19 GLU N N 19 117.150 117.150 116.837 0.313 26068 91 1 1 . 1 1 19 19 GLU HA H 19 4.190 4.190 4.362 -0.172 26068 92 1 1 . 1 1 19 19 GLU C C 19 177.540 177.540 176.346 1.194 26068 93 1 1 . 1 1 19 19 GLU CA C 19 57.750 57.750 57.376 0.374 26068 94 1 1 . 1 1 19 19 GLU CB C 19 29.360 29.360 30.872 -1.512 26068 95 1 1 . 1 1 19 19 GLU H H 19 7.620 7.620 7.785 -0.165 26068 96 1 1 . 1 1 20 20 THR N N 20 105.730 105.730 110.330 -4.600 26068 97 1 1 . 1 1 20 20 THR HA H 20 4.120 4.120 4.574 -0.454 26068 98 1 1 . 1 1 20 20 THR C C 20 174.800 174.800 174.136 0.664 26068 99 1 1 . 1 1 20 20 THR CA C 20 62.200 62.200 60.399 1.801 26068 100 1 1 . 1 1 20 20 THR CB C 20 70.870 70.870 71.206 -0.336 26068 101 1 1 . 1 1 20 20 THR H H 20 7.900 7.900 7.363 0.537 26068 102 1 1 . 1 1 21 21 ASN N N 21 116.950 116.950 120.935 -3.985 26068 103 1 1 . 1 1 21 21 ASN HA H 21 4.390 4.390 4.645 -0.255 26068 104 1 1 . 1 1 21 21 ASN C C 21 173.060 173.060 176.234 -3.174 26068 105 1 1 . 1 1 21 21 ASN CA C 21 54.210 54.210 54.538 -0.327 26068 106 1 1 . 1 1 21 21 ASN CB C 21 36.870 36.870 38.059 -1.190 26068 107 1 1 . 1 1 21 21 ASN H H 21 8.460 8.460 8.796 -0.336 26068 108 1 1 . 1 1 22 22 ILE N N 22 121.830 121.830 118.243 3.587 26068 109 1 1 . 1 1 22 22 ILE HA H 22 4.140 4.140 3.970 0.170 26068 110 1 1 . 1 1 22 22 ILE C C 22 174.780 174.780 175.327 -0.547 26068 111 1 1 . 1 1 22 22 ILE CA C 22 59.100 59.100 62.049 -2.949 26068 112 1 1 . 1 1 22 22 ILE CB C 22 37.060 37.060 37.657 -0.597 26068 113 1 1 . 1 1 22 22 ILE H H 22 7.680 7.680 7.934 -0.254 26068 114 1 1 . 1 1 23 23 LYS N N 23 124.750 124.750 116.874 7.876 26068 115 1 1 . 1 1 23 23 LYS HA H 23 4.140 4.140 4.535 -0.395 26068 116 1 1 . 1 1 23 23 LYS C C 23 178.550 178.550 174.515 4.035 26068 117 1 1 . 1 1 23 23 LYS CA C 23 55.940 55.940 55.412 0.528 26068 118 1 1 . 1 1 23 23 LYS CB C 23 31.670 31.670 34.797 -3.127 26068 119 1 1 . 1 1 23 23 LYS H H 23 8.510 8.510 7.299 1.211 26068 120 1 1 . 1 1 24 24 VAL N N 24 122.570 122.570 120.540 2.030 26068 121 1 1 . 1 1 24 24 VAL C C 24 176.350 176.350 176.372 -0.022 26068 122 1 1 . 1 1 24 24 VAL CA C 24 66.090 66.090 61.526 4.564 26068 123 1 1 . 1 1 24 24 VAL CB C 24 30.640 30.640 34.244 -3.604 26068 124 1 1 . 1 1 24 24 VAL H H 24 8.800 8.800 8.486 0.314 26068 125 1 1 . 1 1 25 25 GLN N N 25 117.730 117.730 119.847 -2.117 26068 126 1 1 . 1 1 25 25 GLN C C 25 177.420 177.420 177.511 -0.091 26068 127 1 1 . 1 1 25 25 GLN CA C 25 58.500 58.500 58.673 -0.173 26068 128 1 1 . 1 1 25 25 GLN CB C 25 26.800 26.800 28.562 -1.762 26068 129 1 1 . 1 1 25 25 GLN H H 25 8.950 8.950 8.634 0.316 26068 130 1 1 . 1 1 26 26 ASP N N 26 120.360 120.360 120.028 0.332 26068 131 1 1 . 1 1 26 26 ASP HA H 26 4.610 4.610 4.415 0.195 26068 132 1 1 . 1 1 26 26 ASP C C 26 177.320 177.320 177.481 -0.161 26068 133 1 1 . 1 1 26 26 ASP CA C 26 55.980 55.980 56.906 -0.926 26068 134 1 1 . 1 1 26 26 ASP CB C 26 39.240 39.240 39.707 -0.467 26068 135 1 1 . 1 1 26 26 ASP H H 26 7.100 7.100 8.776 -1.676 26068 136 1 1 . 1 1 27 27 ILE N N 27 120.730 120.730 119.937 0.793 26068 137 1 1 . 1 1 27 27 ILE C C 27 177.470 177.470 177.544 -0.074 26068 138 1 1 . 1 1 27 27 ILE CA C 27 65.110 65.110 64.533 0.577 26068 139 1 1 . 1 1 27 27 ILE CB C 27 35.840 35.840 37.672 -1.832 26068 140 1 1 . 1 1 27 27 ILE H H 27 7.950 7.950 7.559 0.391 26068 141 1 1 . 1 1 28 28 ARG N N 28 118.340 118.340 119.441 -1.101 26068 142 1 1 . 1 1 28 28 ARG C C 28 178.150 178.150 178.634 -0.484 26068 143 1 1 . 1 1 28 28 ARG CA C 28 59.040 59.040 59.406 -0.366 26068 144 1 1 . 1 1 28 28 ARG CB C 28 28.910 28.910 29.985 -1.075 26068 145 1 1 . 1 1 28 28 ARG H H 28 8.640 8.640 7.551 1.089 26068 146 1 1 . 1 1 29 29 LEU N N 29 119.800 119.800 119.440 0.360 26068 147 1 1 . 1 1 29 29 LEU HA H 29 4.050 4.050 3.938 0.112 26068 148 1 1 . 1 1 29 29 LEU C C 29 178.970 178.970 178.864 0.106 26068 149 1 1 . 1 1 29 29 LEU CA C 29 57.150 57.150 57.697 -0.547 26068 150 1 1 . 1 1 29 29 LEU CB C 29 40.840 40.840 41.341 -0.501 26068 151 1 1 . 1 1 29 29 LEU H H 29 7.340 7.340 7.662 -0.322 26068 152 1 1 . 1 1 30 30 VAL N N 30 120.200 120.200 114.816 5.384 26068 153 1 1 . 1 1 30 30 VAL HA H 30 3.410 3.410 3.808 -0.398 26068 154 1 1 . 1 1 30 30 VAL C C 30 176.580 176.580 178.388 -1.808 26068 155 1 1 . 1 1 30 30 VAL CA C 30 66.490 66.490 65.587 0.903 26068 156 1 1 . 1 1 30 30 VAL CB C 30 30.390 30.390 31.483 -1.093 26068 157 1 1 . 1 1 30 30 VAL H H 30 7.930 7.930 8.097 -0.167 26068 158 1 1 . 1 1 31 31 VAL N N 31 119.110 119.110 119.842 -0.732 26068 159 1 1 . 1 1 31 31 VAL HA H 31 3.210 3.210 3.968 -0.758 26068 160 1 1 . 1 1 31 31 VAL C C 31 177.750 177.750 177.860 -0.110 26068 161 1 1 . 1 1 31 31 VAL CA C 31 66.040 66.040 65.435 0.605 26068 162 1 1 . 1 1 31 31 VAL CB C 31 29.870 29.870 31.450 -1.580 26068 163 1 1 . 1 1 31 31 VAL H H 31 8.520 8.520 7.843 0.677 26068 164 1 1 . 1 1 32 32 THR N N 32 118.400 118.400 116.900 1.500 26068 165 1 1 . 1 1 32 32 THR C C 32 175.680 175.680 176.320 -0.640 26068 166 1 1 . 1 1 32 32 THR CA C 32 66.440 66.440 66.809 -0.369 26068 167 1 1 . 1 1 32 32 THR CB C 32 67.470 67.470 68.846 -1.376 26068 168 1 1 . 1 1 32 32 THR H H 32 8.220 8.220 7.907 0.313 26068 169 1 1 . 1 1 33 33 SER N N 33 118.470 118.470 118.880 -0.410 26068 170 1 1 . 1 1 33 33 SER HA H 33 4.330 4.330 4.211 0.119 26068 171 1 1 . 1 1 33 33 SER C C 33 175.560 175.560 176.564 -1.004 26068 172 1 1 . 1 1 33 33 SER CA C 33 60.860 60.860 62.096 -1.236 26068 173 1 1 . 1 1 33 33 SER CB C 33 62.720 62.720 62.619 0.101 26068 174 1 1 . 1 1 33 33 SER H H 33 7.820 7.820 8.489 -0.669 26068 175 1 1 . 1 1 34 34 LEU N N 34 120.790 120.790 121.654 -0.864 26068 176 1 1 . 1 1 34 34 LEU C C 34 180.120 180.120 178.675 1.445 26068 177 1 1 . 1 1 34 34 LEU CA C 34 58.680 58.680 57.536 1.144 26068 178 1 1 . 1 1 34 34 LEU CB C 34 41.870 41.870 41.835 0.035 26068 179 1 1 . 1 1 34 34 LEU H H 34 8.940 8.940 8.097 0.843 26068 180 1 1 . 1 1 35 35 GLN N N 35 117.680 117.680 115.662 2.018 26068 181 1 1 . 1 1 35 35 GLN HA H 35 3.800 3.800 4.399 -0.599 26068 182 1 1 . 1 1 35 35 GLN C C 35 176.160 176.160 177.448 -1.288 26068 183 1 1 . 1 1 35 35 GLN CA C 35 58.910 58.910 56.232 2.678 26068 184 1 1 . 1 1 35 35 GLN CB C 35 29.040 29.040 29.620 -0.580 26068 185 1 1 . 1 1 35 35 GLN H H 35 7.670 7.670 7.555 0.115 26068 186 1 1 . 1 1 36 36 LYS N N 36 124.070 124.070 122.858 1.212 26068 187 1 1 . 1 1 36 36 LYS HA H 36 4.000 4.000 4.025 -0.025 26068 188 1 1 . 1 1 36 36 LYS C C 36 178.720 178.720 179.094 -0.374 26068 189 1 1 . 1 1 36 36 LYS CA C 36 59.100 59.100 60.164 -1.064 26068 190 1 1 . 1 1 36 36 LYS CB C 36 31.480 31.480 32.645 -1.165 26068 191 1 1 . 1 1 36 36 LYS H H 36 8.100 8.100 8.334 -0.234 26068 192 1 1 . 1 1 37 37 VAL N N 37 120.470 120.470 118.063 2.407 26068 193 1 1 . 1 1 37 37 VAL HA H 37 3.420 3.420 3.936 -0.515 26068 194 1 1 . 1 1 37 37 VAL C C 37 176.250 176.250 176.858 -0.608 26068 195 1 1 . 1 1 37 37 VAL CA C 37 65.610 65.610 63.557 2.053 26068 196 1 1 . 1 1 37 37 VAL H H 37 8.560 8.560 7.843 0.717 26068 197 1 1 . 1 1 38 38 LEU N N 38 119.990 119.990 122.189 -2.199 26068 198 1 1 . 1 1 38 38 LEU C C 38 176.920 176.920 177.955 -1.035 26068 199 1 1 . 1 1 38 38 LEU CA C 38 57.720 57.720 57.178 0.542 26068 200 1 1 . 1 1 38 38 LEU CB C 38 41.040 41.040 40.725 0.315 26068 201 1 1 . 1 1 38 38 LEU H H 38 7.120 7.120 7.273 -0.153 26068 202 1 1 . 1 1 39 39 ALA N N 39 117.870 117.870 121.398 -3.528 26068 203 1 1 . 1 1 39 39 ALA HA H 39 3.780 3.780 3.864 -0.084 26068 204 1 1 . 1 1 39 39 ALA C C 39 177.770 177.770 179.684 -1.914 26068 205 1 1 . 1 1 39 39 ALA CA C 39 53.910 53.910 55.432 -1.522 26068 206 1 1 . 1 1 39 39 ALA CB C 39 17.370 17.370 18.033 -0.663 26068 207 1 1 . 1 1 39 39 ALA H H 39 7.540 7.540 8.250 -0.710 26068 208 1 1 . 1 1 40 40 LYS N N 40 117.340 117.340 117.612 -0.272 26068 209 1 1 . 1 1 40 40 LYS HA H 40 3.220 3.220 4.055 -0.835 26068 210 1 1 . 1 1 40 40 LYS C C 40 179.390 179.390 178.566 0.824 26068 211 1 1 . 1 1 40 40 LYS CA C 40 58.170 58.170 59.240 -1.070 26068 212 1 1 . 1 1 40 40 LYS CB C 40 29.750 29.750 32.511 -2.761 26068 213 1 1 . 1 1 40 40 LYS H H 40 7.760 7.760 7.661 0.099 26068 214 1 1 . 1 1 41 41 GLU N N 41 119.510 119.510 120.435 -0.925 26068 215 1 1 . 1 1 41 41 GLU HA H 41 3.900 3.900 4.180 -0.280 26068 216 1 1 . 1 1 41 41 GLU C C 41 179.390 179.390 179.133 0.257 26068 217 1 1 . 1 1 41 41 GLU CA C 41 57.850 57.850 58.474 -0.624 26068 218 1 1 . 1 1 41 41 GLU CB C 41 28.720 28.720 29.282 -0.562 26068 219 1 1 . 1 1 41 41 GLU H H 41 8.810 8.810 7.488 1.322 26068 220 1 1 . 1 1 42 42 LEU N N 42 120.430 120.430 120.132 0.298 26068 221 1 1 . 1 1 42 42 LEU HA H 42 3.670 3.670 4.151 -0.481 26068 222 1 1 . 1 1 42 42 LEU C C 42 176.370 176.370 179.310 -2.940 26068 223 1 1 . 1 1 42 42 LEU CA C 42 57.650 57.650 57.686 -0.036 26068 224 1 1 . 1 1 42 42 LEU CB C 42 41.040 41.040 41.856 -0.816 26068 225 1 1 . 1 1 42 42 LEU H H 42 8.200 8.200 8.579 -0.379 26068 226 1 1 . 1 1 43 43 ALA N N 43 117.000 117.000 120.277 -3.277 26068 227 1 1 . 1 1 43 43 ALA HA H 43 4.030 4.030 4.157 -0.127 26068 228 1 1 . 1 1 43 43 ALA C C 43 177.510 177.510 178.878 -1.368 26068 229 1 1 . 1 1 43 43 ALA CA C 43 53.130 53.130 54.685 -1.555 26068 230 1 1 . 1 1 43 43 ALA CB C 43 19.230 19.230 18.455 0.775 26068 231 1 1 . 1 1 43 43 ALA H H 43 7.850 7.850 7.667 0.183 26068 232 1 1 . 1 1 44 44 THR N N 44 107.520 107.520 107.359 0.161 26068 233 1 1 . 1 1 44 44 THR HA H 44 4.370 4.370 4.236 0.134 26068 234 1 1 . 1 1 44 44 THR C C 44 174.160 174.160 174.871 -0.711 26068 235 1 1 . 1 1 44 44 THR CA C 44 61.030 61.030 61.908 -0.878 26068 236 1 1 . 1 1 44 44 THR CB C 44 69.200 69.200 69.522 -0.322 26068 237 1 1 . 1 1 44 44 THR H H 44 7.570 7.570 7.559 0.011 26068 238 1 1 . 1 1 45 45 THR N N 45 120.020 120.020 118.097 1.923 26068 239 1 1 . 1 1 45 45 THR HA H 45 4.170 4.170 4.040 0.130 26068 240 1 1 . 1 1 45 45 THR C C 45 175.160 175.160 173.924 1.236 26068 241 1 1 . 1 1 45 45 THR CA C 45 63.160 63.160 63.294 -0.134 26068 242 1 1 . 1 1 45 45 THR CB C 45 68.750 68.750 67.821 0.929 26068 243 1 1 . 1 1 45 45 THR H H 45 8.690 8.690 7.671 1.019 26068 244 1 1 . 1 1 46 46 GLY N N 46 108.110 108.110 109.452 -1.342 26068 245 1 1 . 1 1 46 46 GLY C C 46 171.890 171.890 172.482 -0.592 26068 246 1 1 . 1 1 46 46 GLY CA C 46 44.600 44.600 43.913 0.687 26068 247 1 1 . 1 1 46 46 GLY H H 46 8.300 8.300 7.925 0.375 26068 248 1 1 . 1 1 47 47 GLU N N 47 115.320 115.320 123.213 -7.893 26068 249 1 1 . 1 1 47 47 GLU HA H 47 5.330 5.330 4.544 0.786 26068 250 1 1 . 1 1 47 47 GLU C C 47 173.280 173.280 176.326 -3.046 26068 251 1 1 . 1 1 47 47 GLU CA C 47 54.060 54.060 56.346 -2.286 26068 252 1 1 . 1 1 47 47 GLU CB C 47 32.280 32.280 30.548 1.732 26068 253 1 1 . 1 1 47 47 GLU H H 47 7.210 7.210 8.561 -1.351 26068 254 1 1 . 1 1 48 48 VAL N N 48 118.460 118.460 127.540 -9.080 26068 255 1 1 . 1 1 48 48 VAL HA H 48 4.450 4.450 4.310 0.140 26068 256 1 1 . 1 1 48 48 VAL C C 48 171.500 171.500 174.514 -3.014 26068 257 1 1 . 1 1 48 48 VAL CA C 48 60.080 60.080 61.148 -1.067 26068 258 1 1 . 1 1 48 48 VAL CB C 48 32.510 32.510 32.533 -0.023 26068 259 1 1 . 1 1 48 48 VAL H H 48 8.810 8.810 8.666 0.144 26068 260 1 1 . 1 1 49 49 ARG N N 49 129.960 129.960 129.447 0.513 26068 261 1 1 . 1 1 49 49 ARG HA H 49 4.700 4.700 4.585 0.115 26068 262 1 1 . 1 1 49 49 ARG C C 49 173.520 173.520 175.667 -2.147 26068 263 1 1 . 1 1 49 49 ARG CA C 49 54.960 54.960 55.363 -0.403 26068 264 1 1 . 1 1 49 49 ARG CB C 49 29.170 29.170 30.264 -1.094 26068 265 1 1 . 1 1 49 49 ARG H H 49 9.510 9.510 8.781 0.729 26068 266 1 1 . 1 1 50 50 LEU N N 50 129.550 129.550 129.318 0.232 26068 267 1 1 . 1 1 50 50 LEU HA H 50 4.440 4.440 4.537 -0.097 26068 268 1 1 . 1 1 50 50 LEU C C 50 171.890 171.890 175.790 -3.900 26068 269 1 1 . 1 1 50 50 LEU CA C 50 51.100 51.100 53.706 -2.606 26068 270 1 1 . 1 1 50 50 LEU CB C 50 41.740 41.740 42.464 -0.724 26068 271 1 1 . 1 1 50 50 LEU H H 50 8.960 8.960 8.517 0.443 26068 272 1 1 . 1 1 51 51 PHE N N 51 122.720 122.720 127.300 -4.580 26068 273 1 1 . 1 1 51 51 PHE HA H 51 3.750 3.750 4.211 -0.461 26068 274 1 1 . 1 1 51 51 PHE C C 51 173.520 173.520 175.825 -2.305 26068 275 1 1 . 1 1 51 51 PHE CA C 51 59.750 59.750 59.409 0.341 26068 276 1 1 . 1 1 51 51 PHE CB C 51 36.610 36.610 39.276 -2.666 26068 277 1 1 . 1 1 51 51 PHE H H 51 7.960 7.960 8.744 -0.784 26068 278 1 1 . 1 1 52 52 ASP N N 52 122.670 122.670 122.114 0.556 26068 279 1 1 . 1 1 52 52 ASP HA H 52 5.070 5.070 3.978 1.092 26068 280 1 1 . 1 1 52 52 ASP C C 52 175.160 175.160 174.988 0.172 26068 281 1 1 . 1 1 52 52 ASP CA C 52 53.380 53.380 54.819 -1.438 26068 282 1 1 . 1 1 52 52 ASP CB C 52 39.950 39.950 38.934 1.016 26068 283 1 1 . 1 1 52 52 ASP H H 52 8.690 8.690 8.332 0.358 26068 284 1 1 . 1 1 53 53 ILE N N 53 121.190 121.190 114.223 6.967 26068 285 1 1 . 1 1 53 53 ILE HA H 53 3.980 3.980 4.472 -0.492 26068 286 1 1 . 1 1 53 53 ILE C C 53 174.950 174.950 176.015 -1.065 26068 287 1 1 . 1 1 53 53 ILE CA C 53 63.530 63.530 61.221 2.309 26068 288 1 1 . 1 1 53 53 ILE CB C 53 37.000 37.000 39.904 -2.904 26068 289 1 1 . 1 1 53 53 ILE H H 53 8.710 8.710 7.393 1.317 26068 290 1 1 . 1 1 54 54 GLY N N 54 101.400 101.400 108.973 -7.573 26068 291 1 1 . 1 1 54 54 GLY C C 54 169.840 169.840 172.119 -2.279 26068 292 1 1 . 1 1 54 54 GLY CA C 54 43.740 43.740 44.550 -0.810 26068 293 1 1 . 1 1 54 54 GLY H H 54 6.690 6.690 7.824 -1.134 26068 294 1 1 . 1 1 55 55 LYS N N 55 119.440 119.440 119.103 0.337 26068 295 1 1 . 1 1 55 55 LYS HA H 55 4.930 4.930 5.641 -0.711 26068 296 1 1 . 1 1 55 55 LYS C C 55 174.340 174.340 175.068 -0.728 26068 297 1 1 . 1 1 55 55 LYS CA C 55 54.190 54.190 54.045 0.144 26068 298 1 1 . 1 1 55 55 LYS CB C 55 33.660 33.660 35.912 -2.252 26068 299 1 1 . 1 1 55 55 LYS H H 55 8.110 8.110 8.434 -0.324 26068 300 1 1 . 1 1 56 56 PHE N N 56 128.540 128.540 123.180 5.360 26068 301 1 1 . 1 1 56 56 PHE HA H 56 5.170 5.170 5.157 0.013 26068 302 1 1 . 1 1 56 56 PHE C C 56 174.040 174.040 175.327 -1.287 26068 303 1 1 . 1 1 56 56 PHE CA C 56 56.140 56.140 56.719 -0.579 26068 304 1 1 . 1 1 56 56 PHE CB C 56 41.100 41.100 39.020 2.080 26068 305 1 1 . 1 1 56 56 PHE H H 56 9.420 9.420 8.973 0.448 26068 306 1 1 . 1 1 57 57 LYS N N 57 120.820 120.820 123.496 -2.676 26068 307 1 1 . 1 1 57 57 LYS HA H 57 5.030 5.030 4.787 0.243 26068 308 1 1 . 1 1 57 57 LYS C C 57 173.280 173.280 174.995 -1.715 26068 309 1 1 . 1 1 57 57 LYS CA C 57 54.190 54.190 54.301 -0.111 26068 310 1 1 . 1 1 57 57 LYS CB C 57 36.420 36.420 36.185 0.235 26068 311 1 1 . 1 1 57 57 LYS H H 57 9.060 9.060 8.670 0.390 26068 312 1 1 . 1 1 58 58 LEU N N 58 125.690 125.690 127.048 -1.358 26068 313 1 1 . 1 1 58 58 LEU HA H 58 4.950 4.950 4.602 0.348 26068 314 1 1 . 1 1 58 58 LEU C C 58 175.180 175.180 176.588 -1.408 26068 315 1 1 . 1 1 58 58 LEU CA C 58 52.890 52.890 55.626 -2.736 26068 316 1 1 . 1 1 58 58 LEU CB C 58 42.320 42.320 42.760 -0.440 26068 317 1 1 . 1 1 58 58 LEU H H 58 8.420 8.420 8.652 -0.233 26068 318 1 1 . 1 1 59 59 VAL N N 59 125.770 125.770 121.202 4.568 26068 319 1 1 . 1 1 59 59 VAL HA H 59 4.540 4.540 4.773 -0.233 26068 320 1 1 . 1 1 59 59 VAL C C 59 174.690 174.690 174.280 0.410 26068 321 1 1 . 1 1 59 59 VAL CA C 59 59.780 59.780 59.587 0.193 26068 322 1 1 . 1 1 59 59 VAL CB C 59 32.950 32.950 35.211 -2.261 26068 323 1 1 . 1 1 59 59 VAL H H 59 9.260 9.260 8.945 0.315 26068 324 1 1 . 1 1 60 60 THR N N 60 119.180 119.180 116.200 2.980 26068 325 1 1 . 1 1 60 60 THR C C 60 174.250 174.250 174.715 -0.465 26068 326 1 1 . 1 1 60 60 THR CA C 60 60.740 60.740 60.376 0.364 26068 327 1 1 . 1 1 60 60 THR CB C 60 65.260 65.260 71.152 -5.892 26068 328 1 1 . 1 1 60 60 THR H H 60 8.480 8.480 8.367 0.113 26068 329 1 1 . 1 1 61 61 THR N N 61 117.840 117.840 124.700 -6.860 26068 330 1 1 . 1 1 61 61 THR C C 61 173.550 173.550 173.903 -0.353 26068 331 1 1 . 1 1 61 61 THR CA C 61 59.290 59.290 61.443 -2.153 26068 332 1 1 . 1 1 61 61 THR H H 61 8.610 8.610 8.727 -0.117 26068 333 1 1 . 1 1 62 62 LYS N N 62 122.610 122.610 127.676 -5.066 26068 334 1 1 . 1 1 62 62 LYS HA H 62 4.480 4.480 4.267 0.213 26068 335 1 1 . 1 1 62 62 LYS CA C 62 53.750 53.750 55.654 -1.904 26068 336 1 1 . 1 1 62 62 LYS H H 62 8.380 8.380 8.415 -0.035 26068 337 1 1 . 1 1 63 63 PRO C C 63 176.780 176.780 176.516 0.264 26068 338 1 1 . 1 1 64 64 ARG N N 64 116.830 116.830 123.247 -6.417 26068 339 1 1 . 1 1 64 64 ARG C C 64 177.070 177.070 174.651 2.419 26068 340 1 1 . 1 1 64 64 ARG CA C 64 57.230 57.230 54.422 2.808 26068 341 1 1 . 1 1 64 64 ARG H H 64 8.130 8.130 8.611 -0.481 26068 342 1 1 . 1 1 65 65 THR N N 65 127.240 127.240 118.355 8.885 26068 343 1 1 . 1 1 65 65 THR C C 65 173.780 173.780 174.494 -0.714 26068 344 1 1 . 1 1 65 65 THR CA C 65 60.680 60.680 63.101 -2.421 26068 345 1 1 . 1 1 65 65 THR H H 65 7.370 7.370 8.399 -1.029 26068 346 1 1 . 1 1 66 66 GLY N N 66 112.840 112.840 114.457 -1.617 26068 347 1 1 . 1 1 66 66 GLY C C 66 171.630 171.630 172.267 -0.637 26068 348 1 1 . 1 1 66 66 GLY CA C 66 43.610 43.610 44.116 -0.506 26068 349 1 1 . 1 1 66 66 GLY H H 66 8.760 8.760 8.089 0.671 26068 350 1 1 . 1 1 67 67 ILE N N 67 119.560 119.560 120.749 -1.189 26068 351 1 1 . 1 1 67 67 ILE C C 67 175.110 175.110 174.047 1.063 26068 352 1 1 . 1 1 67 67 ILE CA C 67 58.220 58.220 59.859 -1.639 26068 353 1 1 . 1 1 67 67 ILE H H 67 8.310 8.310 8.308 0.002 26068 354 1 1 . 1 1 68 68 ASN N N 68 127.190 127.190 128.250 -1.060 26068 355 1 1 . 1 1 68 68 ASN CA C 68 49.840 49.840 50.884 -1.044 26068 356 1 1 . 1 1 68 68 ASN H H 68 8.750 8.750 8.796 -0.046 26068 357 1 1 . 1 1 70 70 LYS N N 70 128.540 128.540 115.474 13.066 26068 358 1 1 . 1 1 70 70 LYS HA H 70 4.530 4.530 4.261 0.269 26068 359 1 1 . 1 1 70 70 LYS CA C 70 57.270 57.270 56.425 0.845 26068 360 1 1 . 1 1 70 70 LYS H H 70 8.870 8.870 8.046 0.824 26068 361 1 1 . 1 1 71 71 THR C C 71 174.770 174.770 174.687 0.083 26068 362 1 1 . 1 1 71 71 THR CA C 71 60.650 60.650 61.767 -1.117 26068 363 1 1 . 1 1 72 72 LYS N N 72 116.540 116.540 122.632 -6.092 26068 364 1 1 . 1 1 72 72 LYS C C 72 174.500 174.500 177.176 -2.676 26068 365 1 1 . 1 1 72 72 LYS CA C 72 56.710 56.710 57.623 -0.913 26068 366 1 1 . 1 1 72 72 LYS H H 72 8.450 8.450 8.652 -0.202 26068 367 1 1 . 1 1 73 73 GLN N N 73 117.620 117.620 118.753 -1.133 26068 368 1 1 . 1 1 73 73 GLN HA H 73 4.200 4.200 4.375 -0.175 26068 369 1 1 . 1 1 73 73 GLN C C 73 174.700 174.700 175.553 -0.853 26068 370 1 1 . 1 1 73 73 GLN CA C 73 54.250 54.250 55.508 -1.258 26068 371 1 1 . 1 1 73 73 GLN H H 73 7.600 7.600 7.969 -0.369 26068 372 1 1 . 1 1 74 74 LYS N N 74 122.530 122.530 123.543 -1.013 26068 373 1 1 . 1 1 74 74 LYS C C 74 175.840 175.840 175.968 -0.128 26068 374 1 1 . 1 1 74 74 LYS CA C 74 55.900 55.900 55.465 0.436 26068 375 1 1 . 1 1 74 74 LYS H H 74 8.500 8.500 8.431 0.069 26068 376 1 1 . 1 1 75 75 ILE N N 75 121.120 121.120 126.470 -5.350 26068 377 1 1 . 1 1 75 75 ILE HA H 75 4.440 4.440 3.992 0.448 26068 378 1 1 . 1 1 75 75 ILE C C 75 174.000 174.000 175.225 -1.225 26068 379 1 1 . 1 1 75 75 ILE CA C 75 58.750 58.750 61.140 -2.390 26068 380 1 1 . 1 1 75 75 ILE H H 75 8.480 8.480 8.758 -0.278 26068 381 1 1 . 1 1 76 76 GLN N N 76 123.280 123.280 125.948 -2.668 26068 382 1 1 . 1 1 76 76 GLN C C 76 174.000 174.000 175.817 -1.817 26068 383 1 1 . 1 1 76 76 GLN CA C 76 54.220 54.220 55.166 -0.946 26068 384 1 1 . 1 1 76 76 GLN H H 76 8.510 8.510 8.169 0.341 26068 385 1 1 . 1 1 77 77 ILE N N 77 115.590 115.590 127.235 -11.645 26068 386 1 1 . 1 1 77 77 ILE CA C 77 60.710 60.710 59.352 1.359 26068 387 1 1 . 1 1 77 77 ILE H H 77 8.420 8.420 8.228 0.192 26068 388 1 1 . 1 1 78 78 PRO C C 78 176.070 176.070 176.146 -0.076 26068 389 1 1 . 1 1 79 79 ALA N N 79 123.150 123.150 120.584 2.566 26068 390 1 1 . 1 1 79 79 ALA HA H 79 3.990 3.990 4.767 -0.777 26068 391 1 1 . 1 1 79 79 ALA C C 79 176.740 176.740 178.034 -1.294 26068 392 1 1 . 1 1 79 79 ALA CA C 79 51.670 51.670 51.424 0.246 26068 393 1 1 . 1 1 79 79 ALA CB C 79 18.710 18.710 20.024 -1.314 26068 394 1 1 . 1 1 79 79 ALA H H 79 8.490 8.490 8.167 0.323 26068 395 1 1 . 1 1 80 80 GLY N N 80 109.540 109.540 111.580 -2.040 26068 396 1 1 . 1 1 80 80 GLY C C 80 172.350 172.350 172.428 -0.078 26068 397 1 1 . 1 1 80 80 GLY CA C 80 43.650 43.650 44.710 -1.060 26068 398 1 1 . 1 1 80 80 GLY H H 80 7.960 7.960 8.182 -0.222 26068 399 1 1 . 1 1 81 81 LYS N N 81 120.310 120.310 123.398 -3.088 26068 400 1 1 . 1 1 81 81 LYS C C 81 174.920 174.920 176.035 -1.115 26068 401 1 1 . 1 1 81 81 LYS CA C 81 54.330 54.330 55.869 -1.539 26068 402 1 1 . 1 1 81 81 LYS H H 81 8.330 8.330 8.482 -0.152 26068 403 1 1 . 1 1 82 82 LYS N N 82 121.710 121.710 122.847 -1.137 26068 404 1 1 . 1 1 82 82 LYS HA H 82 4.670 4.670 4.732 -0.062 26068 405 1 1 . 1 1 82 82 LYS C C 82 173.360 173.360 174.692 -1.332 26068 406 1 1 . 1 1 82 82 LYS CA C 82 53.910 53.910 54.727 -0.817 26068 407 1 1 . 1 1 82 82 LYS CB C 82 35.200 35.200 36.486 -1.286 26068 408 1 1 . 1 1 82 82 LYS H H 82 8.970 8.970 9.005 -0.035 26068 409 1 1 . 1 1 83 83 ILE N N 83 123.310 123.310 120.174 3.136 26068 410 1 1 . 1 1 83 83 ILE HA H 83 4.700 4.700 4.776 -0.076 26068 411 1 1 . 1 1 83 83 ILE C C 83 173.820 173.820 175.883 -2.063 26068 412 1 1 . 1 1 83 83 ILE CA C 83 60.200 60.200 58.274 1.926 26068 413 1 1 . 1 1 83 83 ILE CB C 83 37.960 37.960 38.900 -0.940 26068 414 1 1 . 1 1 83 83 ILE H H 83 8.470 8.470 8.424 0.046 26068 415 1 1 . 1 1 84 84 LYS N N 84 127.190 127.190 127.108 0.082 26068 416 1 1 . 1 1 84 84 LYS HA H 84 4.700 4.700 4.606 0.094 26068 417 1 1 . 1 1 84 84 LYS C C 84 173.770 173.770 174.526 -0.756 26068 418 1 1 . 1 1 84 84 LYS CA C 84 53.260 53.260 54.959 -1.700 26068 419 1 1 . 1 1 84 84 LYS CB C 84 35.070 35.070 35.382 -0.312 26068 420 1 1 . 1 1 84 84 LYS H H 84 9.160 9.160 8.953 0.207 26068 421 1 1 . 1 1 85 85 LEU N N 85 125.120 125.120 126.163 -1.043 26068 422 1 1 . 1 1 85 85 LEU HA H 85 4.690 4.690 4.875 -0.185 26068 423 1 1 . 1 1 85 85 LEU C C 85 175.520 175.520 175.908 -0.388 26068 424 1 1 . 1 1 85 85 LEU CA C 85 52.080 52.080 53.550 -1.470 26068 425 1 1 . 1 1 85 85 LEU CB C 85 43.670 43.670 43.596 0.074 26068 426 1 1 . 1 1 85 85 LEU H H 85 8.620 8.620 8.378 0.242 26068 427 1 1 . 1 1 86 86 THR N N 86 124.610 124.610 119.945 4.665 26068 428 1 1 . 1 1 86 86 THR HA H 86 4.550 4.550 4.571 -0.021 26068 429 1 1 . 1 1 86 86 THR C C 86 174.770 174.770 173.434 1.336 26068 430 1 1 . 1 1 86 86 THR CA C 86 60.440 60.440 60.319 0.121 26068 431 1 1 . 1 1 86 86 THR CB C 86 68.040 68.040 70.199 -2.159 26068 432 1 1 . 1 1 86 86 THR H H 86 8.770 8.770 8.990 -0.220 26068 433 1 1 . 1 1 87 87 VAL C C 87 174.810 174.810 175.350 -0.540 26068 434 1 1 . 1 1 87 87 VAL CA C 87 63.170 63.170 62.011 1.159 26068 435 1 1 . 1 1 88 88 SER N N 88 122.640 122.640 118.246 4.394 26068 436 1 1 . 1 1 88 88 SER HA H 88 4.470 4.470 4.605 -0.135 26068 437 1 1 . 1 1 88 88 SER CA C 88 56.790 56.790 57.084 -0.294 26068 438 1 1 . 1 1 88 88 SER H H 88 8.330 8.330 7.930 0.400 26068 439 1 1 . 1 1 89 89 LYS C C 89 176.560 176.560 178.235 -1.675 26068 440 1 1 . 1 1 90 90 ILE N N 90 117.640 117.640 119.994 -2.354 26068 441 1 1 . 1 1 90 90 ILE HA H 90 3.700 3.700 3.849 -0.149 26068 442 1 1 . 1 1 90 90 ILE C C 90 178.250 178.250 176.859 1.391 26068 443 1 1 . 1 1 90 90 ILE CA C 90 63.200 63.200 63.668 -0.468 26068 444 1 1 . 1 1 90 90 ILE CB C 90 36.230 36.230 37.895 -1.665 26068 445 1 1 . 1 1 90 90 ILE H H 90 7.930 7.930 7.226 0.704 26068 446 1 1 . 1 1 91 91 LEU N N 91 121.350 121.350 119.236 2.114 26068 447 1 1 . 1 1 91 91 LEU HA H 91 4.210 4.210 4.115 0.095 26068 448 1 1 . 1 1 91 91 LEU C C 91 177.410 177.410 178.375 -0.965 26068 449 1 1 . 1 1 91 91 LEU CA C 91 56.750 56.750 58.293 -1.543 26068 450 1 1 . 1 1 91 91 LEU CB C 91 39.561 39.561 41.920 -2.359 26068 451 1 1 . 1 1 91 91 LEU H H 91 7.380 7.380 7.861 -0.481 26068 452 1 1 . 1 1 92 92 THR N N 92 113.940 113.940 115.171 -1.231 26068 453 1 1 . 1 1 92 92 THR HA H 92 3.670 3.670 4.602 -0.932 26068 454 1 1 . 1 1 92 92 THR C C 92 176.170 176.170 175.290 0.880 26068 455 1 1 . 1 1 92 92 THR CA C 92 66.150 66.150 64.919 1.231 26068 456 1 1 . 1 1 92 92 THR CB C 92 66.950 66.950 69.502 -2.552 26068 457 1 1 . 1 1 92 92 THR H H 92 7.780 7.780 7.799 -0.019 26068 458 1 1 . 1 1 93 93 ASP N N 93 121.580 121.580 123.386 -1.806 26068 459 1 1 . 1 1 93 93 ASP HA H 93 4.360 4.360 4.622 -0.262 26068 460 1 1 . 1 1 93 93 ASP C C 93 178.020 178.020 175.855 2.165 26068 461 1 1 . 1 1 93 93 ASP CA C 93 56.140 56.140 53.920 2.220 26068 462 1 1 . 1 1 93 93 ASP CB C 93 38.730 38.730 39.682 -0.952 26068 463 1 1 . 1 1 93 93 ASP H H 93 8.790 8.790 8.261 0.529 26068 464 1 1 . 1 1 94 94 ALA N N 94 124.610 124.610 123.086 1.524 26068 465 1 1 . 1 1 94 94 ALA HA H 94 4.130 4.130 3.855 0.275 26068 466 1 1 . 1 1 94 94 ALA C C 94 180.080 180.080 175.562 4.518 26068 467 1 1 . 1 1 94 94 ALA CA C 94 54.120 54.120 53.080 1.040 26068 468 1 1 . 1 1 94 94 ALA CB C 94 17.110 17.110 17.077 0.033 26068 469 1 1 . 1 1 94 94 ALA H H 94 8.050 8.050 8.590 -0.540 26068 470 1 1 . 1 1 95 95 VAL N N 95 119.040 119.040 115.591 3.449 26068 471 1 1 . 1 1 95 95 VAL HA H 95 3.650 3.650 4.409 -0.759 26068 472 1 1 . 1 1 95 95 VAL C C 95 177.260 177.260 176.595 0.665 26068 473 1 1 . 1 1 95 95 VAL CA C 95 65.350 65.350 60.349 5.001 26068 474 1 1 . 1 1 95 95 VAL CB C 95 30.640 30.640 33.094 -2.454 26068 475 1 1 . 1 1 95 95 VAL H H 95 8.110 8.110 7.313 0.797 26068 476 1 1 . 1 1 96 96 ASP N N 96 119.550 119.550 122.554 -3.004 26068 477 1 1 . 1 1 96 96 ASP HA H 96 4.460 4.460 4.219 0.241 26068 478 1 1 . 1 1 96 96 ASP C C 96 176.710 176.710 178.586 -1.876 26068 479 1 1 . 1 1 96 96 ASP CA C 96 55.790 55.790 57.704 -1.914 26068 480 1 1 . 1 1 96 96 ASP CB C 96 40.140 40.140 40.895 -0.755 26068 481 1 1 . 1 1 96 96 ASP H H 96 7.970 7.970 8.316 -0.346 26068 482 1 1 . 1 1 97 97 SER N N 97 112.600 112.600 114.093 -1.493 26068 483 1 1 . 1 1 97 97 SER HA H 97 4.420 4.420 4.413 0.007 26068 484 1 1 . 1 1 97 97 SER CA C 97 58.290 58.290 60.055 -1.765 26068 485 1 1 . 1 1 97 97 SER CB C 97 62.720 62.720 63.594 -0.874 26068 486 1 1 . 1 1 97 97 SER H H 97 7.870 7.870 7.822 0.048 26068 487 1 1 . 1 1 98 98 HIS N N 98 122.580 122.580 118.775 3.805 26068 488 1 1 . 1 1 98 98 HIS HA H 98 4.090 4.090 4.728 -0.638 26068 489 1 1 . 1 1 98 98 HIS C C 98 173.400 173.400 173.694 -0.294 26068 490 1 1 . 1 1 98 98 HIS CA C 98 57.400 57.400 55.534 1.866 26068 491 1 1 . 1 1 98 98 HIS CB C 98 29.810 29.810 30.619 -0.809 26068 492 1 1 . 1 1 98 98 HIS H H 98 7.340 7.340 8.098 -0.758 26068 493 1 2 . 1 1 2 2 ALA N N 2 125.690 125.690 127.741 -2.051 26068 494 1 2 . 1 1 2 2 ALA C C 2 176.530 176.530 175.910 0.620 26068 495 1 2 . 1 1 2 2 ALA CA C 2 51.730 51.730 52.157 -0.428 26068 496 1 2 . 1 1 2 2 ALA H H 2 8.250 8.250 8.813 -0.563 26068 497 1 2 . 1 1 3 3 LYS N N 3 121.040 121.040 120.613 0.427 26068 498 1 2 . 1 1 3 3 LYS C C 3 175.520 175.520 174.746 0.774 26068 499 1 2 . 1 1 3 3 LYS CA C 3 55.230 55.230 56.104 -0.874 26068 500 1 2 . 1 1 3 3 LYS H H 3 8.210 8.210 8.509 -0.299 26068 501 1 2 . 1 1 4 4 ILE N N 4 122.490 122.490 121.135 1.355 26068 502 1 2 . 1 1 4 4 ILE HA H 4 4.180 4.180 4.186 -0.006 26068 503 1 2 . 1 1 4 4 ILE C C 4 174.950 174.950 174.781 0.169 26068 504 1 2 . 1 1 4 4 ILE CA C 4 59.870 59.870 60.901 -1.031 26068 505 1 2 . 1 1 4 4 ILE H H 4 8.170 8.170 8.078 0.092 26068 506 1 2 . 1 1 5 5 LYS N N 5 126.600 126.600 127.028 -0.428 26068 507 1 2 . 1 1 5 5 LYS C C 5 174.330 174.330 175.322 -0.992 26068 508 1 2 . 1 1 5 5 LYS CA C 5 55.060 55.060 56.040 -0.980 26068 509 1 2 . 1 1 5 5 LYS H H 5 8.320 8.320 8.446 -0.126 26068 510 1 2 . 1 1 6 6 SER N N 6 118.400 118.400 121.160 -2.760 26068 511 1 2 . 1 1 6 6 SER C C 6 174.220 174.220 174.711 -0.491 26068 512 1 2 . 1 1 6 6 SER CA C 6 56.300 56.300 57.646 -1.346 26068 513 1 2 . 1 1 6 6 SER H H 6 8.200 8.200 8.642 -0.442 26068 514 1 2 . 1 1 7 7 LEU N N 7 125.400 125.400 122.845 2.555 26068 515 1 2 . 1 1 7 7 LEU C C 7 177.730 177.730 176.201 1.529 26068 516 1 2 . 1 1 7 7 LEU CA C 7 54.950 54.950 54.885 0.065 26068 517 1 2 . 1 1 7 7 LEU CB C 7 42.000 42.000 42.430 -0.430 26068 518 1 2 . 1 1 7 7 LEU H H 7 9.050 9.050 8.439 0.611 26068 519 1 2 . 1 1 8 8 SER N N 8 124.870 124.870 114.796 10.074 26068 520 1 2 . 1 1 8 8 SER HA H 8 4.510 4.510 4.640 -0.130 26068 521 1 2 . 1 1 8 8 SER C C 8 173.810 173.810 175.605 -1.795 26068 522 1 2 . 1 1 8 8 SER CA C 8 56.740 56.740 57.187 -0.447 26068 523 1 2 . 1 1 8 8 SER CB C 8 64.390 64.390 64.888 -0.498 26068 524 1 2 . 1 1 8 8 SER H H 8 9.140 9.140 8.182 0.958 26068 525 1 2 . 1 1 9 9 ALA N N 9 124.340 124.340 125.188 -0.848 26068 526 1 2 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.127 0.273 26068 527 1 2 . 1 1 9 9 ALA C C 9 178.940 178.940 178.417 0.523 26068 528 1 2 . 1 1 9 9 ALA CA C 9 54.940 54.940 54.467 0.473 26068 529 1 2 . 1 1 9 9 ALA H H 9 8.710 8.710 8.541 0.169 26068 530 1 2 . 1 1 10 10 ALA N N 10 117.990 117.990 118.642 -0.652 26068 531 1 2 . 1 1 10 10 ALA C C 10 180.600 180.600 179.470 1.130 26068 532 1 2 . 1 1 10 10 ALA CA C 10 54.380 54.380 53.701 0.679 26068 533 1 2 . 1 1 10 10 ALA CB C 10 17.240 17.240 18.766 -1.526 26068 534 1 2 . 1 1 10 10 ALA H H 10 8.380 8.380 8.090 0.290 26068 535 1 2 . 1 1 11 11 GLU N N 11 118.900 118.900 120.287 -1.387 26068 536 1 2 . 1 1 11 11 GLU HA H 11 4.040 4.040 4.123 -0.083 26068 537 1 2 . 1 1 11 11 GLU C C 11 177.770 177.770 178.371 -0.601 26068 538 1 2 . 1 1 11 11 GLU CA C 11 58.210 58.210 58.510 -0.300 26068 539 1 2 . 1 1 11 11 GLU CB C 11 29.310 29.310 29.534 -0.224 26068 540 1 2 . 1 1 11 11 GLU H H 11 7.780 7.780 8.075 -0.295 26068 541 1 2 . 1 1 12 12 TYR N N 12 125.590 125.590 120.523 5.067 26068 542 1 2 . 1 1 12 12 TYR C C 12 179.280 179.280 177.531 1.749 26068 543 1 2 . 1 1 12 12 TYR CA C 12 59.690 59.690 60.785 -1.095 26068 544 1 2 . 1 1 12 12 TYR CB C 12 37.530 37.530 38.237 -0.707 26068 545 1 2 . 1 1 12 12 TYR H H 12 8.800 8.800 8.399 0.401 26068 546 1 2 . 1 1 13 13 LEU N N 13 118.240 118.240 117.109 1.131 26068 547 1 2 . 1 1 13 13 LEU HA H 13 4.130 4.130 3.719 0.411 26068 548 1 2 . 1 1 13 13 LEU C C 13 177.790 177.790 177.972 -0.182 26068 549 1 2 . 1 1 13 13 LEU CA C 13 58.180 58.180 56.477 1.703 26068 550 1 2 . 1 1 13 13 LEU CB C 13 41.290 41.290 41.551 -0.261 26068 551 1 2 . 1 1 13 13 LEU H H 13 8.770 8.770 7.717 1.053 26068 552 1 2 . 1 1 14 14 LYS N N 14 118.870 118.870 117.881 0.989 26068 553 1 2 . 1 1 14 14 LYS HA H 14 3.980 3.980 4.009 -0.029 26068 554 1 2 . 1 1 14 14 LYS C C 14 177.090 177.090 177.968 -0.878 26068 555 1 2 . 1 1 14 14 LYS CA C 14 58.610 58.610 58.755 -0.145 26068 556 1 2 . 1 1 14 14 LYS CB C 14 31.220 31.220 32.376 -1.156 26068 557 1 2 . 1 1 14 14 LYS H H 14 7.790 7.790 7.526 0.264 26068 558 1 2 . 1 1 15 15 GLU N N 15 119.560 119.560 118.917 0.643 26068 559 1 2 . 1 1 15 15 GLU HA H 15 4.050 4.050 4.090 -0.040 26068 560 1 2 . 1 1 15 15 GLU C C 15 179.660 179.660 178.465 1.195 26068 561 1 2 . 1 1 15 15 GLU CA C 15 59.260 59.260 58.533 0.727 26068 562 1 2 . 1 1 15 15 GLU CB C 15 28.010 28.010 29.745 -1.735 26068 563 1 2 . 1 1 15 15 GLU H H 15 8.330 8.330 7.632 0.698 26068 564 1 2 . 1 1 16 16 MET N N 16 116.760 116.760 118.232 -1.472 26068 565 1 2 . 1 1 16 16 MET HA H 16 4.420 4.420 4.246 0.174 26068 566 1 2 . 1 1 16 16 MET C C 16 178.960 178.960 177.311 1.649 26068 567 1 2 . 1 1 16 16 MET CA C 16 58.200 58.200 56.190 2.010 26068 568 1 2 . 1 1 16 16 MET CB C 16 34.370 34.370 31.881 2.489 26068 569 1 2 . 1 1 16 16 MET H H 16 7.940 7.940 7.301 0.639 26068 570 1 2 . 1 1 17 17 ALA N N 17 128.000 128.000 122.422 5.578 26068 571 1 2 . 1 1 17 17 ALA HA H 17 4.210 4.210 4.012 0.198 26068 572 1 2 . 1 1 17 17 ALA C C 17 179.620 179.620 178.384 1.236 26068 573 1 2 . 1 1 17 17 ALA CA C 17 54.760 54.760 54.446 0.314 26068 574 1 2 . 1 1 17 17 ALA CB C 17 17.750 17.750 18.137 -0.387 26068 575 1 2 . 1 1 17 17 ALA H H 17 8.820 8.820 7.791 1.029 26068 576 1 2 . 1 1 18 18 ASP N N 18 119.660 119.660 117.200 2.460 26068 577 1 2 . 1 1 18 18 ASP HA H 18 4.420 4.420 4.506 -0.086 26068 578 1 2 . 1 1 18 18 ASP C C 18 177.750 177.750 177.858 -0.108 26068 579 1 2 . 1 1 18 18 ASP CA C 18 55.790 55.790 55.644 0.146 26068 580 1 2 . 1 1 18 18 ASP CB C 18 38.980 38.980 41.172 -2.192 26068 581 1 2 . 1 1 18 18 ASP H H 18 8.770 8.770 7.855 0.915 26068 582 1 2 . 1 1 19 19 GLU N N 19 117.150 117.150 117.092 0.058 26068 583 1 2 . 1 1 19 19 GLU HA H 19 4.190 4.190 4.422 -0.232 26068 584 1 2 . 1 1 19 19 GLU C C 19 177.540 177.540 176.868 0.672 26068 585 1 2 . 1 1 19 19 GLU CA C 19 57.750 57.750 56.724 1.026 26068 586 1 2 . 1 1 19 19 GLU CB C 19 29.360 29.360 30.755 -1.395 26068 587 1 2 . 1 1 19 19 GLU H H 19 7.620 7.620 7.833 -0.213 26068 588 1 2 . 1 1 20 20 THR N N 20 105.730 105.730 112.479 -6.749 26068 589 1 2 . 1 1 20 20 THR HA H 20 4.120 4.120 4.618 -0.498 26068 590 1 2 . 1 1 20 20 THR C C 20 174.800 174.800 173.505 1.295 26068 591 1 2 . 1 1 20 20 THR CA C 20 62.200 62.200 60.596 1.604 26068 592 1 2 . 1 1 20 20 THR CB C 20 70.870 70.870 70.756 0.114 26068 593 1 2 . 1 1 20 20 THR H H 20 7.900 7.900 8.068 -0.168 26068 594 1 2 . 1 1 21 21 ASN N N 21 116.950 116.950 119.426 -2.476 26068 595 1 2 . 1 1 21 21 ASN HA H 21 4.390 4.390 4.783 -0.393 26068 596 1 2 . 1 1 21 21 ASN C C 21 173.060 173.060 175.479 -2.419 26068 597 1 2 . 1 1 21 21 ASN CA C 21 54.210 54.210 53.946 0.264 26068 598 1 2 . 1 1 21 21 ASN CB C 21 36.870 36.870 38.718 -1.848 26068 599 1 2 . 1 1 21 21 ASN H H 21 8.460 8.460 8.840 -0.380 26068 600 1 2 . 1 1 22 22 ILE N N 22 121.830 121.830 114.694 7.136 26068 601 1 2 . 1 1 22 22 ILE HA H 22 4.140 4.140 4.523 -0.383 26068 602 1 2 . 1 1 22 22 ILE C C 22 174.780 174.780 175.053 -0.273 26068 603 1 2 . 1 1 22 22 ILE CA C 22 59.100 59.100 61.194 -2.094 26068 604 1 2 . 1 1 22 22 ILE CB C 22 37.060 37.060 38.325 -1.265 26068 605 1 2 . 1 1 22 22 ILE H H 22 7.680 7.680 7.737 -0.057 26068 606 1 2 . 1 1 23 23 LYS N N 23 124.750 124.750 119.970 4.780 26068 607 1 2 . 1 1 23 23 LYS HA H 23 4.140 4.140 4.551 -0.411 26068 608 1 2 . 1 1 23 23 LYS C C 23 178.550 178.550 174.335 4.215 26068 609 1 2 . 1 1 23 23 LYS CA C 23 55.940 55.940 55.477 0.462 26068 610 1 2 . 1 1 23 23 LYS CB C 23 31.670 31.670 34.880 -3.210 26068 611 1 2 . 1 1 23 23 LYS H H 23 8.510 8.510 7.320 1.190 26068 612 1 2 . 1 1 24 24 VAL N N 24 122.570 122.570 119.610 2.960 26068 613 1 2 . 1 1 24 24 VAL C C 24 176.350 176.350 176.659 -0.309 26068 614 1 2 . 1 1 24 24 VAL CA C 24 66.090 66.090 63.620 2.470 26068 615 1 2 . 1 1 24 24 VAL CB C 24 30.640 30.640 33.876 -3.236 26068 616 1 2 . 1 1 24 24 VAL H H 24 8.800 8.800 8.632 0.168 26068 617 1 2 . 1 1 25 25 GLN N N 25 117.730 117.730 119.872 -2.142 26068 618 1 2 . 1 1 25 25 GLN C C 25 177.420 177.420 177.573 -0.153 26068 619 1 2 . 1 1 25 25 GLN CA C 25 58.500 58.500 58.920 -0.421 26068 620 1 2 . 1 1 25 25 GLN CB C 25 26.800 26.800 28.689 -1.889 26068 621 1 2 . 1 1 25 25 GLN H H 25 8.950 8.950 8.545 0.405 26068 622 1 2 . 1 1 26 26 ASP N N 26 120.360 120.360 120.004 0.356 26068 623 1 2 . 1 1 26 26 ASP HA H 26 4.610 4.610 4.519 0.091 26068 624 1 2 . 1 1 26 26 ASP C C 26 177.320 177.320 177.533 -0.213 26068 625 1 2 . 1 1 26 26 ASP CA C 26 55.980 55.980 56.922 -0.942 26068 626 1 2 . 1 1 26 26 ASP CB C 26 39.240 39.240 39.989 -0.749 26068 627 1 2 . 1 1 26 26 ASP H H 26 7.100 7.100 8.831 -1.731 26068 628 1 2 . 1 1 27 27 ILE N N 27 120.730 120.730 119.392 1.338 26068 629 1 2 . 1 1 27 27 ILE C C 27 177.470 177.470 177.268 0.202 26068 630 1 2 . 1 1 27 27 ILE CA C 27 65.110 65.110 64.292 0.818 26068 631 1 2 . 1 1 27 27 ILE CB C 27 35.840 35.840 38.055 -2.215 26068 632 1 2 . 1 1 27 27 ILE H H 27 7.950 7.950 7.226 0.724 26068 633 1 2 . 1 1 28 28 ARG N N 28 118.340 118.340 118.140 0.200 26068 634 1 2 . 1 1 28 28 ARG C C 28 178.150 178.150 178.221 -0.071 26068 635 1 2 . 1 1 28 28 ARG CA C 28 59.040 59.040 58.912 0.128 26068 636 1 2 . 1 1 28 28 ARG CB C 28 28.910 28.910 30.382 -1.472 26068 637 1 2 . 1 1 28 28 ARG H H 28 8.640 8.640 7.566 1.074 26068 638 1 2 . 1 1 29 29 LEU N N 29 119.800 119.800 120.610 -0.810 26068 639 1 2 . 1 1 29 29 LEU HA H 29 4.050 4.050 4.082 -0.032 26068 640 1 2 . 1 1 29 29 LEU C C 29 178.970 178.970 178.780 0.190 26068 641 1 2 . 1 1 29 29 LEU CA C 29 57.150 57.150 58.372 -1.222 26068 642 1 2 . 1 1 29 29 LEU CB C 29 40.840 40.840 41.288 -0.448 26068 643 1 2 . 1 1 29 29 LEU H H 29 7.340 7.340 7.681 -0.341 26068 644 1 2 . 1 1 30 30 VAL N N 30 120.200 120.200 119.351 0.849 26068 645 1 2 . 1 1 30 30 VAL HA H 30 3.410 3.410 3.791 -0.381 26068 646 1 2 . 1 1 30 30 VAL C C 30 176.580 176.580 179.086 -2.506 26068 647 1 2 . 1 1 30 30 VAL CA C 30 66.490 66.490 65.659 0.830 26068 648 1 2 . 1 1 30 30 VAL CB C 30 30.390 30.390 31.145 -0.755 26068 649 1 2 . 1 1 30 30 VAL H H 30 7.930 7.930 7.396 0.534 26068 650 1 2 . 1 1 31 31 VAL N N 31 119.110 119.110 119.893 -0.783 26068 651 1 2 . 1 1 31 31 VAL HA H 31 3.210 3.210 3.673 -0.463 26068 652 1 2 . 1 1 31 31 VAL C C 31 177.750 177.750 177.647 0.103 26068 653 1 2 . 1 1 31 31 VAL CA C 31 66.040 66.040 65.923 0.117 26068 654 1 2 . 1 1 31 31 VAL CB C 31 29.870 29.870 31.039 -1.169 26068 655 1 2 . 1 1 31 31 VAL H H 31 8.520 8.520 8.155 0.365 26068 656 1 2 . 1 1 32 32 THR N N 32 118.400 118.400 114.287 4.113 26068 657 1 2 . 1 1 32 32 THR C C 32 175.680 175.680 176.563 -0.883 26068 658 1 2 . 1 1 32 32 THR CA C 32 66.440 66.440 65.980 0.460 26068 659 1 2 . 1 1 32 32 THR CB C 32 67.470 67.470 69.211 -1.741 26068 660 1 2 . 1 1 32 32 THR H H 32 8.220 8.220 8.176 0.044 26068 661 1 2 . 1 1 33 33 SER N N 33 118.470 118.470 119.200 -0.730 26068 662 1 2 . 1 1 33 33 SER HA H 33 4.330 4.330 4.121 0.209 26068 663 1 2 . 1 1 33 33 SER C C 33 175.560 175.560 176.632 -1.072 26068 664 1 2 . 1 1 33 33 SER CA C 33 60.860 60.860 61.725 -0.865 26068 665 1 2 . 1 1 33 33 SER CB C 33 62.720 62.720 62.449 0.271 26068 666 1 2 . 1 1 33 33 SER H H 33 7.820 7.820 7.803 0.017 26068 667 1 2 . 1 1 34 34 LEU N N 34 120.790 120.790 121.974 -1.184 26068 668 1 2 . 1 1 34 34 LEU C C 34 180.120 180.120 178.931 1.189 26068 669 1 2 . 1 1 34 34 LEU CA C 34 58.680 58.680 57.896 0.784 26068 670 1 2 . 1 1 34 34 LEU CB C 34 41.870 41.870 41.561 0.309 26068 671 1 2 . 1 1 34 34 LEU H H 34 8.940 8.940 7.877 1.063 26068 672 1 2 . 1 1 35 35 GLN N N 35 117.680 117.680 116.827 0.853 26068 673 1 2 . 1 1 35 35 GLN HA H 35 3.800 3.800 4.383 -0.583 26068 674 1 2 . 1 1 35 35 GLN C C 35 176.160 176.160 177.663 -1.503 26068 675 1 2 . 1 1 35 35 GLN CA C 35 58.910 58.910 56.786 2.124 26068 676 1 2 . 1 1 35 35 GLN CB C 35 29.040 29.040 29.193 -0.153 26068 677 1 2 . 1 1 35 35 GLN H H 35 7.670 7.670 7.747 -0.077 26068 678 1 2 . 1 1 36 36 LYS N N 36 124.070 124.070 121.801 2.269 26068 679 1 2 . 1 1 36 36 LYS HA H 36 4.000 4.000 4.025 -0.025 26068 680 1 2 . 1 1 36 36 LYS C C 36 178.720 178.720 179.052 -0.332 26068 681 1 2 . 1 1 36 36 LYS CA C 36 59.100 59.100 59.923 -0.823 26068 682 1 2 . 1 1 36 36 LYS CB C 36 31.480 31.480 32.662 -1.182 26068 683 1 2 . 1 1 36 36 LYS H H 36 8.100 8.100 8.336 -0.236 26068 684 1 2 . 1 1 37 37 VAL N N 37 120.470 120.470 117.731 2.739 26068 685 1 2 . 1 1 37 37 VAL HA H 37 3.420 3.420 3.953 -0.533 26068 686 1 2 . 1 1 37 37 VAL C C 37 176.250 176.250 176.585 -0.335 26068 687 1 2 . 1 1 37 37 VAL CA C 37 65.610 65.610 63.408 2.202 26068 688 1 2 . 1 1 37 37 VAL H H 37 8.560 8.560 7.777 0.783 26068 689 1 2 . 1 1 38 38 LEU N N 38 119.990 119.990 120.848 -0.858 26068 690 1 2 . 1 1 38 38 LEU C C 38 176.920 176.920 177.653 -0.733 26068 691 1 2 . 1 1 38 38 LEU CA C 38 57.720 57.720 57.027 0.693 26068 692 1 2 . 1 1 38 38 LEU CB C 38 41.040 41.040 41.870 -0.830 26068 693 1 2 . 1 1 38 38 LEU H H 38 7.120 7.120 7.308 -0.188 26068 694 1 2 . 1 1 39 39 ALA N N 39 117.870 117.870 121.113 -3.243 26068 695 1 2 . 1 1 39 39 ALA HA H 39 3.780 3.780 4.008 -0.228 26068 696 1 2 . 1 1 39 39 ALA C C 39 177.770 177.770 179.100 -1.330 26068 697 1 2 . 1 1 39 39 ALA CA C 39 53.910 53.910 54.739 -0.829 26068 698 1 2 . 1 1 39 39 ALA CB C 39 17.370 17.370 18.338 -0.968 26068 699 1 2 . 1 1 39 39 ALA H H 39 7.540 7.540 7.880 -0.340 26068 700 1 2 . 1 1 40 40 LYS N N 40 117.340 117.340 118.855 -1.515 26068 701 1 2 . 1 1 40 40 LYS HA H 40 3.220 3.220 3.932 -0.712 26068 702 1 2 . 1 1 40 40 LYS C C 40 179.390 179.390 178.433 0.957 26068 703 1 2 . 1 1 40 40 LYS CA C 40 58.170 58.170 60.029 -1.859 26068 704 1 2 . 1 1 40 40 LYS CB C 40 29.750 29.750 32.372 -2.622 26068 705 1 2 . 1 1 40 40 LYS H H 40 7.760 7.760 7.639 0.121 26068 706 1 2 . 1 1 41 41 GLU N N 41 119.510 119.510 119.292 0.218 26068 707 1 2 . 1 1 41 41 GLU HA H 41 3.900 3.900 4.085 -0.185 26068 708 1 2 . 1 1 41 41 GLU C C 41 179.390 179.390 179.340 0.050 26068 709 1 2 . 1 1 41 41 GLU CA C 41 57.850 57.850 59.059 -1.209 26068 710 1 2 . 1 1 41 41 GLU CB C 41 28.720 28.720 29.158 -0.438 26068 711 1 2 . 1 1 41 41 GLU H H 41 8.810 8.810 7.995 0.815 26068 712 1 2 . 1 1 42 42 LEU N N 42 120.430 120.430 120.045 0.385 26068 713 1 2 . 1 1 42 42 LEU HA H 42 3.670 3.670 4.155 -0.485 26068 714 1 2 . 1 1 42 42 LEU C C 42 176.370 176.370 179.587 -3.217 26068 715 1 2 . 1 1 42 42 LEU CA C 42 57.650 57.650 57.589 0.062 26068 716 1 2 . 1 1 42 42 LEU CB C 42 41.040 41.040 41.934 -0.894 26068 717 1 2 . 1 1 42 42 LEU H H 42 8.200 8.200 7.680 0.520 26068 718 1 2 . 1 1 43 43 ALA N N 43 117.000 117.000 120.990 -3.990 26068 719 1 2 . 1 1 43 43 ALA HA H 43 4.030 4.030 4.229 -0.200 26068 720 1 2 . 1 1 43 43 ALA C C 43 177.510 177.510 178.056 -0.546 26068 721 1 2 . 1 1 43 43 ALA CA C 43 53.130 53.130 54.614 -1.484 26068 722 1 2 . 1 1 43 43 ALA CB C 43 19.230 19.230 18.555 0.675 26068 723 1 2 . 1 1 43 43 ALA H H 43 7.850 7.850 8.227 -0.377 26068 724 1 2 . 1 1 44 44 THR N N 44 107.520 107.520 108.818 -1.298 26068 725 1 2 . 1 1 44 44 THR HA H 44 4.370 4.370 4.441 -0.071 26068 726 1 2 . 1 1 44 44 THR C C 44 174.160 174.160 174.696 -0.536 26068 727 1 2 . 1 1 44 44 THR CA C 44 61.030 61.030 60.918 0.112 26068 728 1 2 . 1 1 44 44 THR CB C 44 69.200 69.200 69.775 -0.575 26068 729 1 2 . 1 1 44 44 THR H H 44 7.570 7.570 7.460 0.110 26068 730 1 2 . 1 1 45 45 THR N N 45 120.020 120.020 116.867 3.153 26068 731 1 2 . 1 1 45 45 THR HA H 45 4.170 4.170 3.997 0.173 26068 732 1 2 . 1 1 45 45 THR C C 45 175.160 175.160 173.654 1.506 26068 733 1 2 . 1 1 45 45 THR CA C 45 63.160 63.160 62.953 0.207 26068 734 1 2 . 1 1 45 45 THR CB C 45 68.750 68.750 67.802 0.948 26068 735 1 2 . 1 1 45 45 THR H H 45 8.690 8.690 7.872 0.818 26068 736 1 2 . 1 1 46 46 GLY N N 46 108.110 108.110 108.116 -0.006 26068 737 1 2 . 1 1 46 46 GLY C C 46 171.890 171.890 172.854 -0.964 26068 738 1 2 . 1 1 46 46 GLY CA C 46 44.600 44.600 44.339 0.261 26068 739 1 2 . 1 1 46 46 GLY H H 46 8.300 8.300 7.642 0.658 26068 740 1 2 . 1 1 47 47 GLU N N 47 115.320 115.320 124.757 -9.437 26068 741 1 2 . 1 1 47 47 GLU HA H 47 5.330 5.330 4.435 0.895 26068 742 1 2 . 1 1 47 47 GLU C C 47 173.280 173.280 175.711 -2.431 26068 743 1 2 . 1 1 47 47 GLU CA C 47 54.060 54.060 55.483 -1.423 26068 744 1 2 . 1 1 47 47 GLU CB C 47 32.280 32.280 30.299 1.981 26068 745 1 2 . 1 1 47 47 GLU H H 47 7.210 7.210 8.483 -1.273 26068 746 1 2 . 1 1 48 48 VAL N N 48 118.460 118.460 126.385 -7.925 26068 747 1 2 . 1 1 48 48 VAL HA H 48 4.450 4.450 4.195 0.255 26068 748 1 2 . 1 1 48 48 VAL C C 48 171.500 171.500 175.078 -3.578 26068 749 1 2 . 1 1 48 48 VAL CA C 48 60.080 60.080 61.691 -1.611 26068 750 1 2 . 1 1 48 48 VAL CB C 48 32.510 32.510 32.726 -0.216 26068 751 1 2 . 1 1 48 48 VAL H H 48 8.810 8.810 8.339 0.471 26068 752 1 2 . 1 1 49 49 ARG N N 49 129.960 129.960 127.872 2.088 26068 753 1 2 . 1 1 49 49 ARG HA H 49 4.700 4.700 4.896 -0.196 26068 754 1 2 . 1 1 49 49 ARG C C 49 173.520 173.520 175.888 -2.368 26068 755 1 2 . 1 1 49 49 ARG CA C 49 54.960 54.960 55.508 -0.548 26068 756 1 2 . 1 1 49 49 ARG CB C 49 29.170 29.170 31.979 -2.808 26068 757 1 2 . 1 1 49 49 ARG H H 49 9.510 9.510 8.659 0.851 26068 758 1 2 . 1 1 50 50 LEU N N 50 129.550 129.550 128.206 1.344 26068 759 1 2 . 1 1 50 50 LEU HA H 50 4.440 4.440 4.751 -0.311 26068 760 1 2 . 1 1 50 50 LEU C C 50 171.890 171.890 175.673 -3.783 26068 761 1 2 . 1 1 50 50 LEU CA C 50 51.100 51.100 53.263 -2.163 26068 762 1 2 . 1 1 50 50 LEU CB C 50 41.740 41.740 42.550 -0.810 26068 763 1 2 . 1 1 50 50 LEU H H 50 8.960 8.960 9.209 -0.249 26068 764 1 2 . 1 1 51 51 PHE N N 51 122.720 122.720 126.635 -3.915 26068 765 1 2 . 1 1 51 51 PHE HA H 51 3.750 3.750 4.134 -0.384 26068 766 1 2 . 1 1 51 51 PHE C C 51 173.520 173.520 176.070 -2.550 26068 767 1 2 . 1 1 51 51 PHE CA C 51 59.750 59.750 59.913 -0.163 26068 768 1 2 . 1 1 51 51 PHE CB C 51 36.610 36.610 39.308 -2.698 26068 769 1 2 . 1 1 51 51 PHE H H 51 7.960 7.960 8.630 -0.670 26068 770 1 2 . 1 1 52 52 ASP N N 52 122.670 122.670 122.415 0.255 26068 771 1 2 . 1 1 52 52 ASP HA H 52 5.070 5.070 4.154 0.916 26068 772 1 2 . 1 1 52 52 ASP C C 52 175.160 175.160 174.449 0.711 26068 773 1 2 . 1 1 52 52 ASP CA C 52 53.380 53.380 54.777 -1.397 26068 774 1 2 . 1 1 52 52 ASP CB C 52 39.950 39.950 39.026 0.924 26068 775 1 2 . 1 1 52 52 ASP H H 52 8.690 8.690 8.489 0.201 26068 776 1 2 . 1 1 53 53 ILE N N 53 121.190 121.190 118.137 3.053 26068 777 1 2 . 1 1 53 53 ILE HA H 53 3.980 3.980 4.177 -0.197 26068 778 1 2 . 1 1 53 53 ILE C C 53 174.950 174.950 174.570 0.380 26068 779 1 2 . 1 1 53 53 ILE CA C 53 63.530 63.530 61.970 1.560 26068 780 1 2 . 1 1 53 53 ILE CB C 53 37.000 37.000 40.388 -3.388 26068 781 1 2 . 1 1 53 53 ILE H H 53 8.710 8.710 7.905 0.805 26068 782 1 2 . 1 1 54 54 GLY N N 54 101.400 101.400 106.919 -5.519 26068 783 1 2 . 1 1 54 54 GLY C C 54 169.840 169.840 171.780 -1.940 26068 784 1 2 . 1 1 54 54 GLY CA C 54 43.740 43.740 44.668 -0.928 26068 785 1 2 . 1 1 54 54 GLY H H 54 6.690 6.690 7.997 -1.307 26068 786 1 2 . 1 1 55 55 LYS N N 55 119.440 119.440 119.564 -0.124 26068 787 1 2 . 1 1 55 55 LYS HA H 55 4.930 4.930 5.264 -0.334 26068 788 1 2 . 1 1 55 55 LYS C C 55 174.340 174.340 174.865 -0.525 26068 789 1 2 . 1 1 55 55 LYS CA C 55 54.190 54.190 54.082 0.108 26068 790 1 2 . 1 1 55 55 LYS CB C 55 33.660 33.660 36.540 -2.880 26068 791 1 2 . 1 1 55 55 LYS H H 55 8.110 8.110 8.567 -0.457 26068 792 1 2 . 1 1 56 56 PHE N N 56 128.540 128.540 120.595 7.945 26068 793 1 2 . 1 1 56 56 PHE HA H 56 5.170 5.170 5.100 0.070 26068 794 1 2 . 1 1 56 56 PHE C C 56 174.040 174.040 174.947 -0.907 26068 795 1 2 . 1 1 56 56 PHE CA C 56 56.140 56.140 57.458 -1.318 26068 796 1 2 . 1 1 56 56 PHE CB C 56 41.100 41.100 38.744 2.356 26068 797 1 2 . 1 1 56 56 PHE H H 56 9.420 9.420 9.089 0.331 26068 798 1 2 . 1 1 57 57 LYS N N 57 120.820 120.820 124.644 -3.824 26068 799 1 2 . 1 1 57 57 LYS HA H 57 5.030 5.030 4.435 0.595 26068 800 1 2 . 1 1 57 57 LYS C C 57 173.280 173.280 175.025 -1.745 26068 801 1 2 . 1 1 57 57 LYS CA C 57 54.190 54.190 56.079 -1.889 26068 802 1 2 . 1 1 57 57 LYS CB C 57 36.420 36.420 34.441 1.979 26068 803 1 2 . 1 1 57 57 LYS H H 57 9.060 9.060 8.836 0.224 26068 804 1 2 . 1 1 58 58 LEU N N 58 125.690 125.690 126.055 -0.365 26068 805 1 2 . 1 1 58 58 LEU HA H 58 4.950 4.950 5.108 -0.158 26068 806 1 2 . 1 1 58 58 LEU C C 58 175.180 175.180 176.792 -1.612 26068 807 1 2 . 1 1 58 58 LEU CA C 58 52.890 52.890 54.075 -1.185 26068 808 1 2 . 1 1 58 58 LEU CB C 58 42.320 42.320 43.087 -0.768 26068 809 1 2 . 1 1 58 58 LEU H H 58 8.420 8.420 8.458 -0.038 26068 810 1 2 . 1 1 59 59 VAL N N 59 125.770 125.770 120.958 4.812 26068 811 1 2 . 1 1 59 59 VAL HA H 59 4.540 4.540 4.774 -0.234 26068 812 1 2 . 1 1 59 59 VAL C C 59 174.690 174.690 174.432 0.258 26068 813 1 2 . 1 1 59 59 VAL CA C 59 59.780 59.780 59.727 0.053 26068 814 1 2 . 1 1 59 59 VAL CB C 59 32.950 32.950 34.983 -2.033 26068 815 1 2 . 1 1 59 59 VAL H H 59 9.260 9.260 8.730 0.530 26068 816 1 2 . 1 1 60 60 THR N N 60 119.180 119.180 116.749 2.431 26068 817 1 2 . 1 1 60 60 THR C C 60 174.250 174.250 174.218 0.032 26068 818 1 2 . 1 1 60 60 THR CA C 60 60.740 60.740 60.721 0.019 26068 819 1 2 . 1 1 60 60 THR CB C 60 65.260 65.260 69.254 -3.994 26068 820 1 2 . 1 1 60 60 THR H H 60 8.480 8.480 8.240 0.240 26068 821 1 2 . 1 1 61 61 THR N N 61 117.840 117.840 120.735 -2.895 26068 822 1 2 . 1 1 61 61 THR C C 61 173.550 173.550 174.456 -0.906 26068 823 1 2 . 1 1 61 61 THR CA C 61 59.290 59.290 61.634 -2.344 26068 824 1 2 . 1 1 61 61 THR H H 61 8.610 8.610 8.401 0.209 26068 825 1 2 . 1 1 62 62 LYS N N 62 122.610 122.610 126.075 -3.465 26068 826 1 2 . 1 1 62 62 LYS HA H 62 4.480 4.480 4.462 0.018 26068 827 1 2 . 1 1 62 62 LYS CA C 62 53.750 53.750 54.630 -0.880 26068 828 1 2 . 1 1 62 62 LYS H H 62 8.380 8.380 8.506 -0.126 26068 829 1 2 . 1 1 63 63 PRO C C 63 176.780 176.780 176.549 0.231 26068 830 1 2 . 1 1 64 64 ARG N N 64 116.830 116.830 119.168 -2.338 26068 831 1 2 . 1 1 64 64 ARG C C 64 177.070 177.070 174.193 2.877 26068 832 1 2 . 1 1 64 64 ARG CA C 64 57.230 57.230 55.817 1.413 26068 833 1 2 . 1 1 64 64 ARG H H 64 8.130 8.130 8.210 -0.080 26068 834 1 2 . 1 1 65 65 THR N N 65 127.240 127.240 115.239 12.001 26068 835 1 2 . 1 1 65 65 THR C C 65 173.780 173.780 173.478 0.302 26068 836 1 2 . 1 1 65 65 THR CA C 65 60.680 60.680 60.841 -0.161 26068 837 1 2 . 1 1 65 65 THR H H 65 7.370 7.370 8.362 -0.992 26068 838 1 2 . 1 1 66 66 GLY N N 66 112.840 112.840 113.864 -1.024 26068 839 1 2 . 1 1 66 66 GLY C C 66 171.630 171.630 172.347 -0.717 26068 840 1 2 . 1 1 66 66 GLY CA C 66 43.610 43.610 43.884 -0.274 26068 841 1 2 . 1 1 66 66 GLY H H 66 8.760 8.760 8.102 0.658 26068 842 1 2 . 1 1 67 67 ILE N N 67 119.560 119.560 115.672 3.888 26068 843 1 2 . 1 1 67 67 ILE C C 67 175.110 175.110 175.025 0.085 26068 844 1 2 . 1 1 67 67 ILE CA C 67 58.220 58.220 59.222 -1.002 26068 845 1 2 . 1 1 67 67 ILE H H 67 8.310 8.310 8.211 0.099 26068 846 1 2 . 1 1 68 68 ASN N N 68 127.190 127.190 120.454 6.736 26068 847 1 2 . 1 1 68 68 ASN CA C 68 49.840 49.840 51.785 -1.945 26068 848 1 2 . 1 1 68 68 ASN H H 68 8.750 8.750 8.116 0.634 26068 849 1 2 . 1 1 70 70 LYS N N 70 128.540 128.540 118.180 10.360 26068 850 1 2 . 1 1 70 70 LYS HA H 70 4.530 4.530 4.506 0.024 26068 851 1 2 . 1 1 70 70 LYS CA C 70 57.270 57.270 56.291 0.979 26068 852 1 2 . 1 1 70 70 LYS H H 70 8.870 8.870 8.499 0.371 26068 853 1 2 . 1 1 71 71 THR C C 71 174.770 174.770 174.544 0.226 26068 854 1 2 . 1 1 71 71 THR CA C 71 60.650 60.650 59.897 0.753 26068 855 1 2 . 1 1 72 72 LYS N N 72 116.540 116.540 118.700 -2.160 26068 856 1 2 . 1 1 72 72 LYS C C 72 174.500 174.500 176.575 -2.075 26068 857 1 2 . 1 1 72 72 LYS CA C 72 56.710 56.710 56.781 -0.071 26068 858 1 2 . 1 1 72 72 LYS H H 72 8.450 8.450 8.372 0.078 26068 859 1 2 . 1 1 73 73 GLN N N 73 117.620 117.620 119.888 -2.268 26068 860 1 2 . 1 1 73 73 GLN HA H 73 4.200 4.200 4.224 -0.024 26068 861 1 2 . 1 1 73 73 GLN C C 73 174.700 174.700 175.298 -0.598 26068 862 1 2 . 1 1 73 73 GLN CA C 73 54.250 54.250 56.154 -1.904 26068 863 1 2 . 1 1 73 73 GLN H H 73 7.600 7.600 7.895 -0.295 26068 864 1 2 . 1 1 74 74 LYS N N 74 122.530 122.530 123.090 -0.560 26068 865 1 2 . 1 1 74 74 LYS C C 74 175.840 175.840 176.350 -0.510 26068 866 1 2 . 1 1 74 74 LYS CA C 74 55.900 55.900 56.268 -0.368 26068 867 1 2 . 1 1 74 74 LYS H H 74 8.500 8.500 8.375 0.125 26068 868 1 2 . 1 1 75 75 ILE N N 75 121.120 121.120 125.758 -4.638 26068 869 1 2 . 1 1 75 75 ILE HA H 75 4.440 4.440 4.131 0.309 26068 870 1 2 . 1 1 75 75 ILE C C 75 174.000 174.000 175.613 -1.613 26068 871 1 2 . 1 1 75 75 ILE CA C 75 58.750 58.750 61.458 -2.708 26068 872 1 2 . 1 1 75 75 ILE H H 75 8.480 8.480 8.688 -0.208 26068 873 1 2 . 1 1 76 76 GLN N N 76 123.280 123.280 126.814 -3.534 26068 874 1 2 . 1 1 76 76 GLN C C 76 174.000 174.000 175.485 -1.485 26068 875 1 2 . 1 1 76 76 GLN CA C 76 54.220 54.220 55.392 -1.172 26068 876 1 2 . 1 1 76 76 GLN H H 76 8.510 8.510 8.552 -0.042 26068 877 1 2 . 1 1 77 77 ILE N N 77 115.590 115.590 125.994 -10.404 26068 878 1 2 . 1 1 77 77 ILE CA C 77 60.710 60.710 58.843 1.867 26068 879 1 2 . 1 1 77 77 ILE H H 77 8.420 8.420 8.736 -0.316 26068 880 1 2 . 1 1 78 78 PRO C C 78 176.070 176.070 175.822 0.248 26068 881 1 2 . 1 1 79 79 ALA N N 79 123.150 123.150 121.205 1.945 26068 882 1 2 . 1 1 79 79 ALA HA H 79 3.990 3.990 4.463 -0.473 26068 883 1 2 . 1 1 79 79 ALA C C 79 176.740 176.740 177.787 -1.047 26068 884 1 2 . 1 1 79 79 ALA CA C 79 51.670 51.670 51.608 0.061 26068 885 1 2 . 1 1 79 79 ALA CB C 79 18.710 18.710 19.807 -1.097 26068 886 1 2 . 1 1 79 79 ALA H H 79 8.490 8.490 8.259 0.231 26068 887 1 2 . 1 1 80 80 GLY N N 80 109.540 109.540 111.550 -2.010 26068 888 1 2 . 1 1 80 80 GLY C C 80 172.350 172.350 172.592 -0.242 26068 889 1 2 . 1 1 80 80 GLY CA C 80 43.650 43.650 44.491 -0.841 26068 890 1 2 . 1 1 80 80 GLY H H 80 7.960 7.960 8.412 -0.452 26068 891 1 2 . 1 1 81 81 LYS N N 81 120.310 120.310 123.030 -2.720 26068 892 1 2 . 1 1 81 81 LYS C C 81 174.920 174.920 176.095 -1.175 26068 893 1 2 . 1 1 81 81 LYS CA C 81 54.330 54.330 55.765 -1.435 26068 894 1 2 . 1 1 81 81 LYS H H 81 8.330 8.330 8.536 -0.206 26068 895 1 2 . 1 1 82 82 LYS N N 82 121.710 121.710 124.416 -2.706 26068 896 1 2 . 1 1 82 82 LYS HA H 82 4.670 4.670 4.705 -0.035 26068 897 1 2 . 1 1 82 82 LYS C C 82 173.360 173.360 174.717 -1.357 26068 898 1 2 . 1 1 82 82 LYS CA C 82 53.910 53.910 54.863 -0.953 26068 899 1 2 . 1 1 82 82 LYS CB C 82 35.200 35.200 35.984 -0.784 26068 900 1 2 . 1 1 82 82 LYS H H 82 8.970 8.970 8.286 0.684 26068 901 1 2 . 1 1 83 83 ILE N N 83 123.310 123.310 120.596 2.714 26068 902 1 2 . 1 1 83 83 ILE HA H 83 4.700 4.700 5.002 -0.302 26068 903 1 2 . 1 1 83 83 ILE C C 83 173.820 173.820 175.619 -1.799 26068 904 1 2 . 1 1 83 83 ILE CA C 83 60.200 60.200 58.480 1.720 26068 905 1 2 . 1 1 83 83 ILE CB C 83 37.960 37.960 39.830 -1.870 26068 906 1 2 . 1 1 83 83 ILE H H 83 8.470 8.470 8.334 0.136 26068 907 1 2 . 1 1 84 84 LYS N N 84 127.190 127.190 124.651 2.539 26068 908 1 2 . 1 1 84 84 LYS HA H 84 4.700 4.700 4.633 0.067 26068 909 1 2 . 1 1 84 84 LYS C C 84 173.770 173.770 174.324 -0.554 26068 910 1 2 . 1 1 84 84 LYS CA C 84 53.260 53.260 54.626 -1.366 26068 911 1 2 . 1 1 84 84 LYS CB C 84 35.070 35.070 36.411 -1.341 26068 912 1 2 . 1 1 84 84 LYS H H 84 9.160 9.160 9.034 0.126 26068 913 1 2 . 1 1 85 85 LEU N N 85 125.120 125.120 127.938 -2.818 26068 914 1 2 . 1 1 85 85 LEU HA H 85 4.690 4.690 4.595 0.095 26068 915 1 2 . 1 1 85 85 LEU C C 85 175.520 175.520 176.180 -0.660 26068 916 1 2 . 1 1 85 85 LEU CA C 85 52.080 52.080 54.308 -2.228 26068 917 1 2 . 1 1 85 85 LEU CB C 85 43.670 43.670 42.767 0.903 26068 918 1 2 . 1 1 85 85 LEU H H 85 8.620 8.620 8.501 0.119 26068 919 1 2 . 1 1 86 86 THR N N 86 124.610 124.610 121.294 3.316 26068 920 1 2 . 1 1 86 86 THR HA H 86 4.550 4.550 4.670 -0.120 26068 921 1 2 . 1 1 86 86 THR C C 86 174.770 174.770 174.519 0.251 26068 922 1 2 . 1 1 86 86 THR CA C 86 60.440 60.440 60.352 0.088 26068 923 1 2 . 1 1 86 86 THR CB C 86 68.040 68.040 69.210 -1.169 26068 924 1 2 . 1 1 86 86 THR H H 86 8.770 8.770 9.102 -0.332 26068 925 1 2 . 1 1 87 87 VAL C C 87 174.810 174.810 175.927 -1.117 26068 926 1 2 . 1 1 87 87 VAL CA C 87 63.170 63.170 61.885 1.285 26068 927 1 2 . 1 1 88 88 SER N N 88 122.640 122.640 113.898 8.742 26068 928 1 2 . 1 1 88 88 SER HA H 88 4.470 4.470 4.759 -0.289 26068 929 1 2 . 1 1 88 88 SER CA C 88 56.790 56.790 56.718 0.072 26068 930 1 2 . 1 1 88 88 SER H H 88 8.330 8.330 7.971 0.359 26068 931 1 2 . 1 1 89 89 LYS C C 89 176.560 176.560 177.558 -0.998 26068 932 1 2 . 1 1 90 90 ILE N N 90 117.640 117.640 118.859 -1.219 26068 933 1 2 . 1 1 90 90 ILE HA H 90 3.700 3.700 3.875 -0.175 26068 934 1 2 . 1 1 90 90 ILE C C 90 178.250 178.250 176.632 1.618 26068 935 1 2 . 1 1 90 90 ILE CA C 90 63.200 63.200 62.980 0.220 26068 936 1 2 . 1 1 90 90 ILE CB C 90 36.230 36.230 38.168 -1.938 26068 937 1 2 . 1 1 90 90 ILE H H 90 7.930 7.930 7.647 0.283 26068 938 1 2 . 1 1 91 91 LEU N N 91 121.350 121.350 118.714 2.636 26068 939 1 2 . 1 1 91 91 LEU HA H 91 4.210 4.210 4.674 -0.464 26068 940 1 2 . 1 1 91 91 LEU C C 91 177.410 177.410 176.493 0.917 26068 941 1 2 . 1 1 91 91 LEU CA C 91 56.750 56.750 56.961 -0.211 26068 942 1 2 . 1 1 91 91 LEU CB C 91 39.561 39.561 45.199 -5.638 26068 943 1 2 . 1 1 91 91 LEU H H 91 7.380 7.380 7.788 -0.408 26068 944 1 2 . 1 1 92 92 THR N N 92 113.940 113.940 116.620 -2.680 26068 945 1 2 . 1 1 92 92 THR HA H 92 3.670 3.670 4.727 -1.057 26068 946 1 2 . 1 1 92 92 THR C C 92 176.170 176.170 173.249 2.921 26068 947 1 2 . 1 1 92 92 THR CA C 92 66.150 66.150 62.419 3.731 26068 948 1 2 . 1 1 92 92 THR CB C 92 66.950 66.950 68.230 -1.280 26068 949 1 2 . 1 1 92 92 THR H H 92 7.780 7.780 8.227 -0.447 26068 950 1 2 . 1 1 93 93 ASP N N 93 121.580 121.580 121.739 -0.159 26068 951 1 2 . 1 1 93 93 ASP HA H 93 4.360 4.360 4.665 -0.305 26068 952 1 2 . 1 1 93 93 ASP C C 93 178.020 178.020 175.628 2.392 26068 953 1 2 . 1 1 93 93 ASP CA C 93 56.140 56.140 54.047 2.094 26068 954 1 2 . 1 1 93 93 ASP CB C 93 38.730 38.730 42.608 -3.878 26068 955 1 2 . 1 1 93 93 ASP H H 93 8.790 8.790 7.718 1.071 26068 956 1 2 . 1 1 94 94 ALA N N 94 124.610 124.610 124.895 -0.285 26068 957 1 2 . 1 1 94 94 ALA HA H 94 4.130 4.130 3.763 0.367 26068 958 1 2 . 1 1 94 94 ALA C C 94 180.080 180.080 175.703 4.377 26068 959 1 2 . 1 1 94 94 ALA CA C 94 54.120 54.120 53.664 0.456 26068 960 1 2 . 1 1 94 94 ALA CB C 94 17.110 17.110 17.711 -0.601 26068 961 1 2 . 1 1 94 94 ALA H H 94 8.050 8.050 8.414 -0.364 26068 962 1 2 . 1 1 95 95 VAL N N 95 119.040 119.040 115.084 3.956 26068 963 1 2 . 1 1 95 95 VAL HA H 95 3.650 3.650 4.402 -0.752 26068 964 1 2 . 1 1 95 95 VAL C C 95 177.260 177.260 174.872 2.388 26068 965 1 2 . 1 1 95 95 VAL CA C 95 65.350 65.350 60.908 4.442 26068 966 1 2 . 1 1 95 95 VAL CB C 95 30.640 30.640 33.035 -2.394 26068 967 1 2 . 1 1 95 95 VAL H H 95 8.110 8.110 7.232 0.878 26068 968 1 2 . 1 1 96 96 ASP N N 96 119.550 119.550 121.822 -2.272 26068 969 1 2 . 1 1 96 96 ASP HA H 96 4.460 4.460 4.438 0.022 26068 970 1 2 . 1 1 96 96 ASP C C 96 176.710 176.710 175.572 1.138 26068 971 1 2 . 1 1 96 96 ASP CA C 96 55.790 55.790 56.743 -0.953 26068 972 1 2 . 1 1 96 96 ASP CB C 96 40.140 40.140 40.343 -0.203 26068 973 1 2 . 1 1 96 96 ASP H H 96 7.970 7.970 8.835 -0.865 26068 974 1 2 . 1 1 97 97 SER N N 97 112.600 112.600 114.702 -2.102 26068 975 1 2 . 1 1 97 97 SER HA H 97 4.420 4.420 4.622 -0.202 26068 976 1 2 . 1 1 97 97 SER CA C 97 58.290 58.290 58.637 -0.347 26068 977 1 2 . 1 1 97 97 SER CB C 97 62.720 62.720 64.846 -2.126 26068 978 1 2 . 1 1 97 97 SER H H 97 7.870 7.870 8.038 -0.168 26068 979 1 2 . 1 1 98 98 HIS N N 98 122.580 122.580 119.935 2.645 26068 980 1 2 . 1 1 98 98 HIS HA H 98 4.090 4.090 4.704 -0.614 26068 981 1 2 . 1 1 98 98 HIS C C 98 173.400 173.400 172.684 0.716 26068 982 1 2 . 1 1 98 98 HIS CA C 98 57.400 57.400 56.539 0.861 26068 983 1 2 . 1 1 98 98 HIS CB C 98 29.810 29.810 30.159 -0.349 26068 984 1 2 . 1 1 98 98 HIS H H 98 7.340 7.340 7.581 -0.241 26068 985 1 3 . 1 1 2 2 ALA N N 2 125.690 125.690 125.034 0.656 26068 986 1 3 . 1 1 2 2 ALA C C 2 176.530 176.530 176.934 -0.404 26068 987 1 3 . 1 1 2 2 ALA CA C 2 51.730 51.730 51.595 0.135 26068 988 1 3 . 1 1 2 2 ALA H H 2 8.250 8.250 8.316 -0.066 26068 989 1 3 . 1 1 3 3 LYS N N 3 121.040 121.040 123.894 -2.854 26068 990 1 3 . 1 1 3 3 LYS C C 3 175.520 175.520 175.316 0.204 26068 991 1 3 . 1 1 3 3 LYS CA C 3 55.230 55.230 56.414 -1.184 26068 992 1 3 . 1 1 3 3 LYS H H 3 8.210 8.210 8.561 -0.351 26068 993 1 3 . 1 1 4 4 ILE N N 4 122.490 122.490 126.265 -3.775 26068 994 1 3 . 1 1 4 4 ILE HA H 4 4.180 4.180 4.301 -0.121 26068 995 1 3 . 1 1 4 4 ILE C C 4 174.950 174.950 174.589 0.361 26068 996 1 3 . 1 1 4 4 ILE CA C 4 59.870 59.870 61.337 -1.467 26068 997 1 3 . 1 1 4 4 ILE H H 4 8.170 8.170 8.205 -0.035 26068 998 1 3 . 1 1 5 5 LYS N N 5 126.600 126.600 127.323 -0.723 26068 999 1 3 . 1 1 5 5 LYS C C 5 174.330 174.330 175.300 -0.970 26068 1000 1 3 . 1 1 5 5 LYS CA C 5 55.060 55.060 55.672 -0.612 26068 1001 1 3 . 1 1 5 5 LYS H H 5 8.320 8.320 8.342 -0.022 26068 1002 1 3 . 1 1 6 6 SER N N 6 118.400 118.400 115.577 2.823 26068 1003 1 3 . 1 1 6 6 SER C C 6 174.220 174.220 173.984 0.236 26068 1004 1 3 . 1 1 6 6 SER CA C 6 56.300 56.300 57.796 -1.496 26068 1005 1 3 . 1 1 6 6 SER H H 6 8.200 8.200 8.239 -0.039 26068 1006 1 3 . 1 1 7 7 LEU N N 7 125.400 125.400 121.169 4.231 26068 1007 1 3 . 1 1 7 7 LEU C C 7 177.730 177.730 176.579 1.151 26068 1008 1 3 . 1 1 7 7 LEU CA C 7 54.950 54.950 54.814 0.136 26068 1009 1 3 . 1 1 7 7 LEU CB C 7 42.000 42.000 42.690 -0.690 26068 1010 1 3 . 1 1 7 7 LEU H H 7 9.050 9.050 8.307 0.743 26068 1011 1 3 . 1 1 8 8 SER N N 8 124.870 124.870 115.890 8.980 26068 1012 1 3 . 1 1 8 8 SER HA H 8 4.510 4.510 4.571 -0.061 26068 1013 1 3 . 1 1 8 8 SER C C 8 173.810 173.810 175.684 -1.874 26068 1014 1 3 . 1 1 8 8 SER CA C 8 56.740 56.740 57.505 -0.765 26068 1015 1 3 . 1 1 8 8 SER CB C 8 64.390 64.390 64.356 0.035 26068 1016 1 3 . 1 1 8 8 SER H H 8 9.140 9.140 8.525 0.615 26068 1017 1 3 . 1 1 9 9 ALA N N 9 124.340 124.340 124.133 0.207 26068 1018 1 3 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.151 0.249 26068 1019 1 3 . 1 1 9 9 ALA C C 9 178.940 178.940 179.094 -0.154 26068 1020 1 3 . 1 1 9 9 ALA CA C 9 54.940 54.940 54.452 0.488 26068 1021 1 3 . 1 1 9 9 ALA H H 9 8.710 8.710 8.581 0.129 26068 1022 1 3 . 1 1 10 10 ALA N N 10 117.990 117.990 119.472 -1.482 26068 1023 1 3 . 1 1 10 10 ALA C C 10 180.600 180.600 179.352 1.248 26068 1024 1 3 . 1 1 10 10 ALA CA C 10 54.380 54.380 54.575 -0.195 26068 1025 1 3 . 1 1 10 10 ALA CB C 10 17.240 17.240 18.372 -1.133 26068 1026 1 3 . 1 1 10 10 ALA H H 10 8.380 8.380 8.503 -0.123 26068 1027 1 3 . 1 1 11 11 GLU N N 11 118.900 118.900 117.427 1.473 26068 1028 1 3 . 1 1 11 11 GLU HA H 11 4.040 4.040 4.179 -0.139 26068 1029 1 3 . 1 1 11 11 GLU C C 11 177.770 177.770 177.946 -0.176 26068 1030 1 3 . 1 1 11 11 GLU CA C 11 58.210 58.210 58.217 -0.007 26068 1031 1 3 . 1 1 11 11 GLU CB C 11 29.310 29.310 29.685 -0.375 26068 1032 1 3 . 1 1 11 11 GLU H H 11 7.780 7.780 8.072 -0.292 26068 1033 1 3 . 1 1 12 12 TYR N N 12 125.590 125.590 119.590 6.000 26068 1034 1 3 . 1 1 12 12 TYR C C 12 179.280 179.280 176.808 2.472 26068 1035 1 3 . 1 1 12 12 TYR CA C 12 59.690 59.690 59.752 -0.062 26068 1036 1 3 . 1 1 12 12 TYR CB C 12 37.530 37.530 39.273 -1.743 26068 1037 1 3 . 1 1 12 12 TYR H H 12 8.800 8.800 7.792 1.008 26068 1038 1 3 . 1 1 13 13 LEU N N 13 118.240 118.240 119.228 -0.988 26068 1039 1 3 . 1 1 13 13 LEU HA H 13 4.130 4.130 3.659 0.471 26068 1040 1 3 . 1 1 13 13 LEU C C 13 177.790 177.790 178.262 -0.472 26068 1041 1 3 . 1 1 13 13 LEU CA C 13 58.180 58.180 57.271 0.909 26068 1042 1 3 . 1 1 13 13 LEU CB C 13 41.290 41.290 41.270 0.020 26068 1043 1 3 . 1 1 13 13 LEU H H 13 8.770 8.770 7.576 1.194 26068 1044 1 3 . 1 1 14 14 LYS N N 14 118.870 118.870 116.536 2.334 26068 1045 1 3 . 1 1 14 14 LYS HA H 14 3.980 3.980 4.056 -0.076 26068 1046 1 3 . 1 1 14 14 LYS C C 14 177.090 177.090 178.241 -1.151 26068 1047 1 3 . 1 1 14 14 LYS CA C 14 58.610 58.610 58.748 -0.139 26068 1048 1 3 . 1 1 14 14 LYS CB C 14 31.220 31.220 32.232 -1.012 26068 1049 1 3 . 1 1 14 14 LYS H H 14 7.790 7.790 7.460 0.330 26068 1050 1 3 . 1 1 15 15 GLU N N 15 119.560 119.560 118.806 0.754 26068 1051 1 3 . 1 1 15 15 GLU HA H 15 4.050 4.050 4.258 -0.208 26068 1052 1 3 . 1 1 15 15 GLU C C 15 179.660 179.660 177.381 2.279 26068 1053 1 3 . 1 1 15 15 GLU CA C 15 59.260 59.260 57.711 1.549 26068 1054 1 3 . 1 1 15 15 GLU CB C 15 28.010 28.010 30.214 -2.204 26068 1055 1 3 . 1 1 15 15 GLU H H 15 8.330 8.330 7.665 0.665 26068 1056 1 3 . 1 1 16 16 MET N N 16 116.760 116.760 118.344 -1.584 26068 1057 1 3 . 1 1 16 16 MET HA H 16 4.420 4.420 4.489 -0.069 26068 1058 1 3 . 1 1 16 16 MET C C 16 178.960 178.960 176.178 2.782 26068 1059 1 3 . 1 1 16 16 MET CA C 16 58.200 58.200 54.208 3.993 26068 1060 1 3 . 1 1 16 16 MET CB C 16 34.370 34.370 32.221 2.149 26068 1061 1 3 . 1 1 16 16 MET H H 16 7.940 7.940 7.763 0.177 26068 1062 1 3 . 1 1 17 17 ALA N N 17 128.000 128.000 122.779 5.221 26068 1063 1 3 . 1 1 17 17 ALA HA H 17 4.210 4.210 4.060 0.150 26068 1064 1 3 . 1 1 17 17 ALA C C 17 179.620 179.620 178.359 1.261 26068 1065 1 3 . 1 1 17 17 ALA CA C 17 54.760 54.760 54.468 0.292 26068 1066 1 3 . 1 1 17 17 ALA CB C 17 17.750 17.750 18.601 -0.851 26068 1067 1 3 . 1 1 17 17 ALA H H 17 8.820 8.820 7.543 1.277 26068 1068 1 3 . 1 1 18 18 ASP N N 18 119.660 119.660 115.800 3.860 26068 1069 1 3 . 1 1 18 18 ASP HA H 18 4.420 4.420 4.397 0.023 26068 1070 1 3 . 1 1 18 18 ASP C C 18 177.750 177.750 177.630 0.120 26068 1071 1 3 . 1 1 18 18 ASP CA C 18 55.790 55.790 56.053 -0.263 26068 1072 1 3 . 1 1 18 18 ASP CB C 18 38.980 38.980 40.680 -1.700 26068 1073 1 3 . 1 1 18 18 ASP H H 18 8.770 8.770 8.265 0.505 26068 1074 1 3 . 1 1 19 19 GLU N N 19 117.150 117.150 117.492 -0.342 26068 1075 1 3 . 1 1 19 19 GLU HA H 19 4.190 4.190 4.296 -0.106 26068 1076 1 3 . 1 1 19 19 GLU C C 19 177.540 177.540 176.826 0.714 26068 1077 1 3 . 1 1 19 19 GLU CA C 19 57.750 57.750 56.959 0.791 26068 1078 1 3 . 1 1 19 19 GLU CB C 19 29.360 29.360 30.149 -0.789 26068 1079 1 3 . 1 1 19 19 GLU H H 19 7.620 7.620 7.719 -0.099 26068 1080 1 3 . 1 1 20 20 THR N N 20 105.730 105.730 111.779 -6.049 26068 1081 1 3 . 1 1 20 20 THR HA H 20 4.120 4.120 4.439 -0.319 26068 1082 1 3 . 1 1 20 20 THR C C 20 174.800 174.800 174.285 0.515 26068 1083 1 3 . 1 1 20 20 THR CA C 20 62.200 62.200 62.387 -0.187 26068 1084 1 3 . 1 1 20 20 THR CB C 20 70.870 70.870 69.135 1.734 26068 1085 1 3 . 1 1 20 20 THR H H 20 7.900 7.900 7.433 0.467 26068 1086 1 3 . 1 1 21 21 ASN N N 21 116.950 116.950 124.826 -7.876 26068 1087 1 3 . 1 1 21 21 ASN HA H 21 4.390 4.390 4.781 -0.391 26068 1088 1 3 . 1 1 21 21 ASN C C 21 173.060 173.060 175.406 -2.346 26068 1089 1 3 . 1 1 21 21 ASN CA C 21 54.210 54.210 53.951 0.259 26068 1090 1 3 . 1 1 21 21 ASN CB C 21 36.870 36.870 39.184 -2.314 26068 1091 1 3 . 1 1 21 21 ASN H H 21 8.460 8.460 8.519 -0.059 26068 1092 1 3 . 1 1 22 22 ILE N N 22 121.830 121.830 116.875 4.955 26068 1093 1 3 . 1 1 22 22 ILE HA H 22 4.140 4.140 4.367 -0.227 26068 1094 1 3 . 1 1 22 22 ILE C C 22 174.780 174.780 175.425 -0.645 26068 1095 1 3 . 1 1 22 22 ILE CA C 22 59.100 59.100 61.697 -2.597 26068 1096 1 3 . 1 1 22 22 ILE CB C 22 37.060 37.060 39.362 -2.303 26068 1097 1 3 . 1 1 22 22 ILE H H 22 7.680 7.680 8.185 -0.505 26068 1098 1 3 . 1 1 23 23 LYS N N 23 124.750 124.750 121.068 3.682 26068 1099 1 3 . 1 1 23 23 LYS HA H 23 4.140 4.140 4.633 -0.493 26068 1100 1 3 . 1 1 23 23 LYS C C 23 178.550 178.550 174.736 3.814 26068 1101 1 3 . 1 1 23 23 LYS CA C 23 55.940 55.940 55.381 0.559 26068 1102 1 3 . 1 1 23 23 LYS CB C 23 31.670 31.670 35.574 -3.904 26068 1103 1 3 . 1 1 23 23 LYS H H 23 8.510 8.510 7.458 1.052 26068 1104 1 3 . 1 1 24 24 VAL N N 24 122.570 122.570 121.332 1.238 26068 1105 1 3 . 1 1 24 24 VAL C C 24 176.350 176.350 175.593 0.757 26068 1106 1 3 . 1 1 24 24 VAL CA C 24 66.090 66.090 64.077 2.013 26068 1107 1 3 . 1 1 24 24 VAL CB C 24 30.640 30.640 33.148 -2.508 26068 1108 1 3 . 1 1 24 24 VAL H H 24 8.800 8.800 8.665 0.135 26068 1109 1 3 . 1 1 25 25 GLN N N 25 117.730 117.730 119.962 -2.232 26068 1110 1 3 . 1 1 25 25 GLN C C 25 177.420 177.420 177.677 -0.257 26068 1111 1 3 . 1 1 25 25 GLN CA C 25 58.500 58.500 58.373 0.127 26068 1112 1 3 . 1 1 25 25 GLN CB C 25 26.800 26.800 28.416 -1.616 26068 1113 1 3 . 1 1 25 25 GLN H H 25 8.950 8.950 8.276 0.674 26068 1114 1 3 . 1 1 26 26 ASP N N 26 120.360 120.360 119.702 0.658 26068 1115 1 3 . 1 1 26 26 ASP HA H 26 4.610 4.610 4.572 0.038 26068 1116 1 3 . 1 1 26 26 ASP C C 26 177.320 177.320 177.972 -0.652 26068 1117 1 3 . 1 1 26 26 ASP CA C 26 55.980 55.980 56.560 -0.580 26068 1118 1 3 . 1 1 26 26 ASP CB C 26 39.240 39.240 40.543 -1.303 26068 1119 1 3 . 1 1 26 26 ASP H H 26 7.100 7.100 8.637 -1.537 26068 1120 1 3 . 1 1 27 27 ILE N N 27 120.730 120.730 119.681 1.049 26068 1121 1 3 . 1 1 27 27 ILE C C 27 177.470 177.470 177.454 0.016 26068 1122 1 3 . 1 1 27 27 ILE CA C 27 65.110 65.110 63.606 1.504 26068 1123 1 3 . 1 1 27 27 ILE CB C 27 35.840 35.840 37.630 -1.790 26068 1124 1 3 . 1 1 27 27 ILE H H 27 7.950 7.950 8.011 -0.061 26068 1125 1 3 . 1 1 28 28 ARG N N 28 118.340 118.340 119.457 -1.117 26068 1126 1 3 . 1 1 28 28 ARG C C 28 178.150 178.150 178.454 -0.304 26068 1127 1 3 . 1 1 28 28 ARG CA C 28 59.040 59.040 59.836 -0.796 26068 1128 1 3 . 1 1 28 28 ARG CB C 28 28.910 28.910 29.983 -1.073 26068 1129 1 3 . 1 1 28 28 ARG H H 28 8.640 8.640 7.649 0.991 26068 1130 1 3 . 1 1 29 29 LEU N N 29 119.800 119.800 119.155 0.645 26068 1131 1 3 . 1 1 29 29 LEU HA H 29 4.050 4.050 4.208 -0.158 26068 1132 1 3 . 1 1 29 29 LEU C C 29 178.970 178.970 178.767 0.203 26068 1133 1 3 . 1 1 29 29 LEU CA C 29 57.150 57.150 57.437 -0.287 26068 1134 1 3 . 1 1 29 29 LEU CB C 29 40.840 40.840 41.964 -1.124 26068 1135 1 3 . 1 1 29 29 LEU H H 29 7.340 7.340 7.604 -0.264 26068 1136 1 3 . 1 1 30 30 VAL N N 30 120.200 120.200 121.390 -1.190 26068 1137 1 3 . 1 1 30 30 VAL HA H 30 3.410 3.410 3.673 -0.263 26068 1138 1 3 . 1 1 30 30 VAL C C 30 176.580 176.580 178.518 -1.938 26068 1139 1 3 . 1 1 30 30 VAL CA C 30 66.490 66.490 66.581 -0.091 26068 1140 1 3 . 1 1 30 30 VAL CB C 30 30.390 30.390 31.634 -1.244 26068 1141 1 3 . 1 1 30 30 VAL H H 30 7.930 7.930 7.461 0.469 26068 1142 1 3 . 1 1 31 31 VAL N N 31 119.110 119.110 119.423 -0.313 26068 1143 1 3 . 1 1 31 31 VAL HA H 31 3.210 3.210 3.711 -0.501 26068 1144 1 3 . 1 1 31 31 VAL C C 31 177.750 177.750 177.470 0.280 26068 1145 1 3 . 1 1 31 31 VAL CA C 31 66.040 66.040 66.038 0.002 26068 1146 1 3 . 1 1 31 31 VAL CB C 31 29.870 29.870 30.959 -1.089 26068 1147 1 3 . 1 1 31 31 VAL H H 31 8.520 8.520 7.978 0.542 26068 1148 1 3 . 1 1 32 32 THR N N 32 118.400 118.400 114.438 3.962 26068 1149 1 3 . 1 1 32 32 THR C C 32 175.680 175.680 176.580 -0.900 26068 1150 1 3 . 1 1 32 32 THR CA C 32 66.440 66.440 65.854 0.586 26068 1151 1 3 . 1 1 32 32 THR CB C 32 67.470 67.470 68.931 -1.461 26068 1152 1 3 . 1 1 32 32 THR H H 32 8.220 8.220 7.894 0.326 26068 1153 1 3 . 1 1 33 33 SER N N 33 118.470 118.470 119.404 -0.934 26068 1154 1 3 . 1 1 33 33 SER HA H 33 4.330 4.330 4.205 0.125 26068 1155 1 3 . 1 1 33 33 SER C C 33 175.560 175.560 176.444 -0.884 26068 1156 1 3 . 1 1 33 33 SER CA C 33 60.860 60.860 61.969 -1.109 26068 1157 1 3 . 1 1 33 33 SER CB C 33 62.720 62.720 62.494 0.226 26068 1158 1 3 . 1 1 33 33 SER H H 33 7.820 7.820 8.208 -0.388 26068 1159 1 3 . 1 1 34 34 LEU N N 34 120.790 120.790 121.017 -0.227 26068 1160 1 3 . 1 1 34 34 LEU C C 34 180.120 180.120 178.167 1.953 26068 1161 1 3 . 1 1 34 34 LEU CA C 34 58.680 58.680 57.508 1.172 26068 1162 1 3 . 1 1 34 34 LEU CB C 34 41.870 41.870 41.441 0.428 26068 1163 1 3 . 1 1 34 34 LEU H H 34 8.940 8.940 7.676 1.264 26068 1164 1 3 . 1 1 35 35 GLN N N 35 117.680 117.680 116.508 1.172 26068 1165 1 3 . 1 1 35 35 GLN HA H 35 3.800 3.800 4.380 -0.580 26068 1166 1 3 . 1 1 35 35 GLN C C 35 176.160 176.160 177.621 -1.461 26068 1167 1 3 . 1 1 35 35 GLN CA C 35 58.910 58.910 57.186 1.724 26068 1168 1 3 . 1 1 35 35 GLN CB C 35 29.040 29.040 29.353 -0.313 26068 1169 1 3 . 1 1 35 35 GLN H H 35 7.670 7.670 7.799 -0.129 26068 1170 1 3 . 1 1 36 36 LYS N N 36 124.070 124.070 121.745 2.325 26068 1171 1 3 . 1 1 36 36 LYS HA H 36 4.000 4.000 4.128 -0.128 26068 1172 1 3 . 1 1 36 36 LYS C C 36 178.720 178.720 178.756 -0.036 26068 1173 1 3 . 1 1 36 36 LYS CA C 36 59.100 59.100 59.624 -0.524 26068 1174 1 3 . 1 1 36 36 LYS CB C 36 31.480 31.480 32.926 -1.446 26068 1175 1 3 . 1 1 36 36 LYS H H 36 8.100 8.100 8.223 -0.123 26068 1176 1 3 . 1 1 37 37 VAL N N 37 120.470 120.470 119.293 1.177 26068 1177 1 3 . 1 1 37 37 VAL HA H 37 3.420 3.420 3.866 -0.446 26068 1178 1 3 . 1 1 37 37 VAL C C 37 176.250 176.250 177.173 -0.923 26068 1179 1 3 . 1 1 37 37 VAL CA C 37 65.610 65.610 64.660 0.950 26068 1180 1 3 . 1 1 37 37 VAL H H 37 8.560 8.560 8.105 0.455 26068 1181 1 3 . 1 1 38 38 LEU N N 38 119.990 119.990 120.704 -0.714 26068 1182 1 3 . 1 1 38 38 LEU C C 38 176.920 176.920 178.387 -1.467 26068 1183 1 3 . 1 1 38 38 LEU CA C 38 57.720 57.720 57.312 0.408 26068 1184 1 3 . 1 1 38 38 LEU CB C 38 41.040 41.040 41.067 -0.027 26068 1185 1 3 . 1 1 38 38 LEU H H 38 7.120 7.120 7.481 -0.361 26068 1186 1 3 . 1 1 39 39 ALA N N 39 117.870 117.870 121.464 -3.594 26068 1187 1 3 . 1 1 39 39 ALA HA H 39 3.780 3.780 3.693 0.087 26068 1188 1 3 . 1 1 39 39 ALA C C 39 177.770 177.770 179.310 -1.540 26068 1189 1 3 . 1 1 39 39 ALA CA C 39 53.910 53.910 55.396 -1.486 26068 1190 1 3 . 1 1 39 39 ALA CB C 39 17.370 17.370 17.778 -0.408 26068 1191 1 3 . 1 1 39 39 ALA H H 39 7.540 7.540 8.234 -0.694 26068 1192 1 3 . 1 1 40 40 LYS N N 40 117.340 117.340 117.620 -0.280 26068 1193 1 3 . 1 1 40 40 LYS HA H 40 3.220 3.220 3.880 -0.660 26068 1194 1 3 . 1 1 40 40 LYS C C 40 179.390 179.390 178.797 0.593 26068 1195 1 3 . 1 1 40 40 LYS CA C 40 58.170 58.170 59.771 -1.601 26068 1196 1 3 . 1 1 40 40 LYS CB C 40 29.750 29.750 32.464 -2.714 26068 1197 1 3 . 1 1 40 40 LYS H H 40 7.760 7.760 7.956 -0.196 26068 1198 1 3 . 1 1 41 41 GLU N N 41 119.510 119.510 118.897 0.613 26068 1199 1 3 . 1 1 41 41 GLU HA H 41 3.900 3.900 4.180 -0.280 26068 1200 1 3 . 1 1 41 41 GLU C C 41 179.390 179.390 178.963 0.427 26068 1201 1 3 . 1 1 41 41 GLU CA C 41 57.850 57.850 58.678 -0.828 26068 1202 1 3 . 1 1 41 41 GLU CB C 41 28.720 28.720 29.631 -0.911 26068 1203 1 3 . 1 1 41 41 GLU H H 41 8.810 8.810 7.507 1.303 26068 1204 1 3 . 1 1 42 42 LEU N N 42 120.430 120.430 120.182 0.248 26068 1205 1 3 . 1 1 42 42 LEU HA H 42 3.670 3.670 4.487 -0.818 26068 1206 1 3 . 1 1 42 42 LEU C C 42 176.370 176.370 179.279 -2.909 26068 1207 1 3 . 1 1 42 42 LEU CA C 42 57.650 57.650 56.929 0.721 26068 1208 1 3 . 1 1 42 42 LEU CB C 42 41.040 41.040 42.142 -1.102 26068 1209 1 3 . 1 1 42 42 LEU H H 42 8.200 8.200 7.878 0.322 26068 1210 1 3 . 1 1 43 43 ALA N N 43 117.000 117.000 120.655 -3.655 26068 1211 1 3 . 1 1 43 43 ALA HA H 43 4.030 4.030 4.240 -0.210 26068 1212 1 3 . 1 1 43 43 ALA C C 43 177.510 177.510 177.721 -0.211 26068 1213 1 3 . 1 1 43 43 ALA CA C 43 53.130 53.130 54.076 -0.946 26068 1214 1 3 . 1 1 43 43 ALA CB C 43 19.230 19.230 18.515 0.715 26068 1215 1 3 . 1 1 43 43 ALA H H 43 7.850 7.850 8.411 -0.561 26068 1216 1 3 . 1 1 44 44 THR N N 44 107.520 107.520 108.573 -1.053 26068 1217 1 3 . 1 1 44 44 THR HA H 44 4.370 4.370 4.447 -0.077 26068 1218 1 3 . 1 1 44 44 THR C C 44 174.160 174.160 174.568 -0.408 26068 1219 1 3 . 1 1 44 44 THR CA C 44 61.030 61.030 60.779 0.251 26068 1220 1 3 . 1 1 44 44 THR CB C 44 69.200 69.200 69.631 -0.431 26068 1221 1 3 . 1 1 44 44 THR H H 44 7.570 7.570 7.370 0.200 26068 1222 1 3 . 1 1 45 45 THR N N 45 120.020 120.020 116.324 3.696 26068 1223 1 3 . 1 1 45 45 THR HA H 45 4.170 4.170 3.946 0.224 26068 1224 1 3 . 1 1 45 45 THR C C 45 175.160 175.160 173.698 1.462 26068 1225 1 3 . 1 1 45 45 THR CA C 45 63.160 63.160 63.274 -0.114 26068 1226 1 3 . 1 1 45 45 THR CB C 45 68.750 68.750 68.158 0.592 26068 1227 1 3 . 1 1 45 45 THR H H 45 8.690 8.690 7.652 1.038 26068 1228 1 3 . 1 1 46 46 GLY N N 46 108.110 108.110 108.347 -0.237 26068 1229 1 3 . 1 1 46 46 GLY C C 46 171.890 171.890 172.726 -0.836 26068 1230 1 3 . 1 1 46 46 GLY CA C 46 44.600 44.600 44.125 0.475 26068 1231 1 3 . 1 1 46 46 GLY H H 46 8.300 8.300 7.754 0.546 26068 1232 1 3 . 1 1 47 47 GLU N N 47 115.320 115.320 127.200 -11.880 26068 1233 1 3 . 1 1 47 47 GLU HA H 47 5.330 5.330 4.208 1.122 26068 1234 1 3 . 1 1 47 47 GLU C C 47 173.280 173.280 175.848 -2.568 26068 1235 1 3 . 1 1 47 47 GLU CA C 47 54.060 54.060 56.825 -2.765 26068 1236 1 3 . 1 1 47 47 GLU CB C 47 32.280 32.280 30.526 1.754 26068 1237 1 3 . 1 1 47 47 GLU H H 47 7.210 7.210 8.663 -1.453 26068 1238 1 3 . 1 1 48 48 VAL N N 48 118.460 118.460 127.404 -8.944 26068 1239 1 3 . 1 1 48 48 VAL HA H 48 4.450 4.450 4.361 0.089 26068 1240 1 3 . 1 1 48 48 VAL C C 48 171.500 171.500 174.302 -2.802 26068 1241 1 3 . 1 1 48 48 VAL CA C 48 60.080 60.080 60.994 -0.914 26068 1242 1 3 . 1 1 48 48 VAL CB C 48 32.510 32.510 32.852 -0.342 26068 1243 1 3 . 1 1 48 48 VAL H H 48 8.810 8.810 8.138 0.672 26068 1244 1 3 . 1 1 49 49 ARG N N 49 129.960 129.960 128.808 1.152 26068 1245 1 3 . 1 1 49 49 ARG HA H 49 4.700 4.700 4.536 0.164 26068 1246 1 3 . 1 1 49 49 ARG C C 49 173.520 173.520 175.595 -2.075 26068 1247 1 3 . 1 1 49 49 ARG CA C 49 54.960 54.960 55.581 -0.621 26068 1248 1 3 . 1 1 49 49 ARG CB C 49 29.170 29.170 30.078 -0.908 26068 1249 1 3 . 1 1 49 49 ARG H H 49 9.510 9.510 8.796 0.714 26068 1250 1 3 . 1 1 50 50 LEU N N 50 129.550 129.550 128.856 0.694 26068 1251 1 3 . 1 1 50 50 LEU HA H 50 4.440 4.440 4.489 -0.049 26068 1252 1 3 . 1 1 50 50 LEU C C 50 171.890 171.890 175.611 -3.721 26068 1253 1 3 . 1 1 50 50 LEU CA C 50 51.100 51.100 53.791 -2.691 26068 1254 1 3 . 1 1 50 50 LEU CB C 50 41.740 41.740 41.775 -0.035 26068 1255 1 3 . 1 1 50 50 LEU H H 50 8.960 8.960 8.712 0.248 26068 1256 1 3 . 1 1 51 51 PHE N N 51 122.720 122.720 126.808 -4.088 26068 1257 1 3 . 1 1 51 51 PHE HA H 51 3.750 3.750 4.259 -0.509 26068 1258 1 3 . 1 1 51 51 PHE C C 51 173.520 173.520 175.927 -2.407 26068 1259 1 3 . 1 1 51 51 PHE CA C 51 59.750 59.750 59.688 0.062 26068 1260 1 3 . 1 1 51 51 PHE CB C 51 36.610 36.610 39.294 -2.683 26068 1261 1 3 . 1 1 51 51 PHE H H 51 7.960 7.960 8.581 -0.621 26068 1262 1 3 . 1 1 52 52 ASP N N 52 122.670 122.670 123.929 -1.259 26068 1263 1 3 . 1 1 52 52 ASP HA H 52 5.070 5.070 3.984 1.086 26068 1264 1 3 . 1 1 52 52 ASP C C 52 175.160 175.160 174.537 0.623 26068 1265 1 3 . 1 1 52 52 ASP CA C 52 53.380 53.380 54.834 -1.454 26068 1266 1 3 . 1 1 52 52 ASP CB C 52 39.950 39.950 38.692 1.258 26068 1267 1 3 . 1 1 52 52 ASP H H 52 8.690 8.690 8.081 0.609 26068 1268 1 3 . 1 1 53 53 ILE N N 53 121.190 121.190 118.545 2.645 26068 1269 1 3 . 1 1 53 53 ILE HA H 53 3.980 3.980 4.198 -0.218 26068 1270 1 3 . 1 1 53 53 ILE C C 53 174.950 174.950 175.173 -0.223 26068 1271 1 3 . 1 1 53 53 ILE CA C 53 63.530 63.530 62.424 1.106 26068 1272 1 3 . 1 1 53 53 ILE CB C 53 37.000 37.000 39.845 -2.845 26068 1273 1 3 . 1 1 53 53 ILE H H 53 8.710 8.710 7.743 0.967 26068 1274 1 3 . 1 1 54 54 GLY N N 54 101.400 101.400 106.134 -4.734 26068 1275 1 3 . 1 1 54 54 GLY C C 54 169.840 169.840 171.290 -1.450 26068 1276 1 3 . 1 1 54 54 GLY CA C 54 43.740 43.740 45.118 -1.379 26068 1277 1 3 . 1 1 54 54 GLY H H 54 6.690 6.690 8.088 -1.398 26068 1278 1 3 . 1 1 55 55 LYS N N 55 119.440 119.440 120.461 -1.021 26068 1279 1 3 . 1 1 55 55 LYS HA H 55 4.930 4.930 5.185 -0.255 26068 1280 1 3 . 1 1 55 55 LYS C C 55 174.340 174.340 174.719 -0.379 26068 1281 1 3 . 1 1 55 55 LYS CA C 55 54.190 54.190 54.801 -0.611 26068 1282 1 3 . 1 1 55 55 LYS CB C 55 33.660 33.660 36.293 -2.633 26068 1283 1 3 . 1 1 55 55 LYS H H 55 8.110 8.110 8.312 -0.202 26068 1284 1 3 . 1 1 56 56 PHE N N 56 128.540 128.540 126.237 2.303 26068 1285 1 3 . 1 1 56 56 PHE HA H 56 5.170 5.170 4.933 0.237 26068 1286 1 3 . 1 1 56 56 PHE C C 56 174.040 174.040 174.927 -0.887 26068 1287 1 3 . 1 1 56 56 PHE CA C 56 56.140 56.140 57.964 -1.824 26068 1288 1 3 . 1 1 56 56 PHE CB C 56 41.100 41.100 39.276 1.823 26068 1289 1 3 . 1 1 56 56 PHE H H 56 9.420 9.420 8.791 0.629 26068 1290 1 3 . 1 1 57 57 LYS N N 57 120.820 120.820 125.214 -4.394 26068 1291 1 3 . 1 1 57 57 LYS HA H 57 5.030 5.030 4.678 0.352 26068 1292 1 3 . 1 1 57 57 LYS C C 57 173.280 173.280 174.623 -1.343 26068 1293 1 3 . 1 1 57 57 LYS CA C 57 54.190 54.190 53.936 0.254 26068 1294 1 3 . 1 1 57 57 LYS CB C 57 36.420 36.420 35.745 0.675 26068 1295 1 3 . 1 1 57 57 LYS H H 57 9.060 9.060 8.984 0.076 26068 1296 1 3 . 1 1 58 58 LEU N N 58 125.690 125.690 127.042 -1.352 26068 1297 1 3 . 1 1 58 58 LEU HA H 58 4.950 4.950 4.827 0.123 26068 1298 1 3 . 1 1 58 58 LEU C C 58 175.180 175.180 177.368 -2.188 26068 1299 1 3 . 1 1 58 58 LEU CA C 58 52.890 52.890 54.600 -1.710 26068 1300 1 3 . 1 1 58 58 LEU CB C 58 42.320 42.320 41.296 1.024 26068 1301 1 3 . 1 1 58 58 LEU H H 58 8.420 8.420 8.675 -0.255 26068 1302 1 3 . 1 1 59 59 VAL N N 59 125.770 125.770 120.862 4.908 26068 1303 1 3 . 1 1 59 59 VAL HA H 59 4.540 4.540 4.770 -0.230 26068 1304 1 3 . 1 1 59 59 VAL C C 59 174.690 174.690 175.001 -0.311 26068 1305 1 3 . 1 1 59 59 VAL CA C 59 59.780 59.780 60.465 -0.685 26068 1306 1 3 . 1 1 59 59 VAL CB C 59 32.950 32.950 33.719 -0.770 26068 1307 1 3 . 1 1 59 59 VAL H H 59 9.260 9.260 8.631 0.629 26068 1308 1 3 . 1 1 60 60 THR N N 60 119.180 119.180 115.015 4.165 26068 1309 1 3 . 1 1 60 60 THR C C 60 174.250 174.250 173.665 0.585 26068 1310 1 3 . 1 1 60 60 THR CA C 60 60.740 60.740 61.481 -0.741 26068 1311 1 3 . 1 1 60 60 THR CB C 60 65.260 65.260 70.348 -5.088 26068 1312 1 3 . 1 1 60 60 THR H H 60 8.480 8.480 8.118 0.362 26068 1313 1 3 . 1 1 61 61 THR N N 61 117.840 117.840 116.859 0.981 26068 1314 1 3 . 1 1 61 61 THR C C 61 173.550 173.550 174.192 -0.642 26068 1315 1 3 . 1 1 61 61 THR CA C 61 59.290 59.290 60.662 -1.372 26068 1316 1 3 . 1 1 61 61 THR H H 61 8.610 8.610 9.053 -0.443 26068 1317 1 3 . 1 1 62 62 LYS N N 62 122.610 122.610 123.993 -1.383 26068 1318 1 3 . 1 1 62 62 LYS HA H 62 4.480 4.480 4.513 -0.033 26068 1319 1 3 . 1 1 62 62 LYS CA C 62 53.750 53.750 54.766 -1.016 26068 1320 1 3 . 1 1 62 62 LYS H H 62 8.380 8.380 8.570 -0.190 26068 1321 1 3 . 1 1 63 63 PRO C C 63 176.780 176.780 176.577 0.203 26068 1322 1 3 . 1 1 64 64 ARG N N 64 116.830 116.830 119.451 -2.621 26068 1323 1 3 . 1 1 64 64 ARG C C 64 177.070 177.070 174.621 2.449 26068 1324 1 3 . 1 1 64 64 ARG CA C 64 57.230 57.230 55.419 1.810 26068 1325 1 3 . 1 1 64 64 ARG H H 64 8.130 8.130 8.841 -0.711 26068 1326 1 3 . 1 1 65 65 THR N N 65 127.240 127.240 114.957 12.283 26068 1327 1 3 . 1 1 65 65 THR C C 65 173.780 173.780 173.393 0.387 26068 1328 1 3 . 1 1 65 65 THR CA C 65 60.680 60.680 60.148 0.532 26068 1329 1 3 . 1 1 65 65 THR H H 65 7.370 7.370 8.346 -0.976 26068 1330 1 3 . 1 1 66 66 GLY N N 66 112.840 112.840 112.098 0.742 26068 1331 1 3 . 1 1 66 66 GLY C C 66 171.630 171.630 172.422 -0.792 26068 1332 1 3 . 1 1 66 66 GLY CA C 66 43.610 43.610 43.926 -0.316 26068 1333 1 3 . 1 1 66 66 GLY H H 66 8.760 8.760 8.636 0.124 26068 1334 1 3 . 1 1 67 67 ILE N N 67 119.560 119.560 114.711 4.849 26068 1335 1 3 . 1 1 67 67 ILE C C 67 175.110 175.110 174.568 0.542 26068 1336 1 3 . 1 1 67 67 ILE CA C 67 58.220 58.220 58.758 -0.538 26068 1337 1 3 . 1 1 67 67 ILE H H 67 8.310 8.310 8.231 0.079 26068 1338 1 3 . 1 1 68 68 ASN N N 68 127.190 127.190 120.571 6.619 26068 1339 1 3 . 1 1 68 68 ASN CA C 68 49.840 49.840 51.835 -1.995 26068 1340 1 3 . 1 1 68 68 ASN H H 68 8.750 8.750 8.406 0.344 26068 1341 1 3 . 1 1 70 70 LYS N N 70 128.540 128.540 117.479 11.061 26068 1342 1 3 . 1 1 70 70 LYS HA H 70 4.530 4.530 4.555 -0.025 26068 1343 1 3 . 1 1 70 70 LYS CA C 70 57.270 57.270 56.098 1.172 26068 1344 1 3 . 1 1 70 70 LYS H H 70 8.870 8.870 8.071 0.799 26068 1345 1 3 . 1 1 71 71 THR C C 71 174.770 174.770 174.196 0.574 26068 1346 1 3 . 1 1 71 71 THR CA C 71 60.650 60.650 60.490 0.160 26068 1347 1 3 . 1 1 72 72 LYS N N 72 116.540 116.540 120.588 -4.048 26068 1348 1 3 . 1 1 72 72 LYS C C 72 174.500 174.500 176.993 -2.493 26068 1349 1 3 . 1 1 72 72 LYS CA C 72 56.710 56.710 57.085 -0.375 26068 1350 1 3 . 1 1 72 72 LYS H H 72 8.450 8.450 8.636 -0.186 26068 1351 1 3 . 1 1 73 73 GLN N N 73 117.620 117.620 119.075 -1.455 26068 1352 1 3 . 1 1 73 73 GLN HA H 73 4.200 4.200 4.243 -0.043 26068 1353 1 3 . 1 1 73 73 GLN C C 73 174.700 174.700 174.739 -0.039 26068 1354 1 3 . 1 1 73 73 GLN CA C 73 54.250 54.250 56.082 -1.832 26068 1355 1 3 . 1 1 73 73 GLN H H 73 7.600 7.600 7.834 -0.234 26068 1356 1 3 . 1 1 74 74 LYS N N 74 122.530 122.530 122.464 0.066 26068 1357 1 3 . 1 1 74 74 LYS C C 74 175.840 175.840 176.500 -0.660 26068 1358 1 3 . 1 1 74 74 LYS CA C 74 55.900 55.900 56.554 -0.654 26068 1359 1 3 . 1 1 74 74 LYS H H 74 8.500 8.500 8.444 0.056 26068 1360 1 3 . 1 1 75 75 ILE N N 75 121.120 121.120 124.586 -3.466 26068 1361 1 3 . 1 1 75 75 ILE HA H 75 4.440 4.440 4.151 0.289 26068 1362 1 3 . 1 1 75 75 ILE C C 75 174.000 174.000 175.540 -1.540 26068 1363 1 3 . 1 1 75 75 ILE CA C 75 58.750 58.750 60.941 -2.191 26068 1364 1 3 . 1 1 75 75 ILE H H 75 8.480 8.480 8.246 0.234 26068 1365 1 3 . 1 1 76 76 GLN N N 76 123.280 123.280 126.651 -3.371 26068 1366 1 3 . 1 1 76 76 GLN C C 76 174.000 174.000 175.411 -1.411 26068 1367 1 3 . 1 1 76 76 GLN CA C 76 54.220 54.220 55.562 -1.342 26068 1368 1 3 . 1 1 76 76 GLN H H 76 8.510 8.510 8.755 -0.245 26068 1369 1 3 . 1 1 77 77 ILE N N 77 115.590 115.590 127.685 -12.095 26068 1370 1 3 . 1 1 77 77 ILE CA C 77 60.710 60.710 58.923 1.787 26068 1371 1 3 . 1 1 77 77 ILE H H 77 8.420 8.420 8.404 0.016 26068 1372 1 3 . 1 1 78 78 PRO C C 78 176.070 176.070 175.996 0.074 26068 1373 1 3 . 1 1 79 79 ALA N N 79 123.150 123.150 121.010 2.140 26068 1374 1 3 . 1 1 79 79 ALA HA H 79 3.990 3.990 4.922 -0.932 26068 1375 1 3 . 1 1 79 79 ALA C C 79 176.740 176.740 177.560 -0.820 26068 1376 1 3 . 1 1 79 79 ALA CA C 79 51.670 51.670 51.022 0.648 26068 1377 1 3 . 1 1 79 79 ALA CB C 79 18.710 18.710 20.279 -1.569 26068 1378 1 3 . 1 1 79 79 ALA H H 79 8.490 8.490 8.196 0.294 26068 1379 1 3 . 1 1 80 80 GLY N N 80 109.540 109.540 111.363 -1.823 26068 1380 1 3 . 1 1 80 80 GLY C C 80 172.350 172.350 172.310 0.040 26068 1381 1 3 . 1 1 80 80 GLY CA C 80 43.650 43.650 44.388 -0.738 26068 1382 1 3 . 1 1 80 80 GLY H H 80 7.960 7.960 8.324 -0.364 26068 1383 1 3 . 1 1 81 81 LYS N N 81 120.310 120.310 120.674 -0.364 26068 1384 1 3 . 1 1 81 81 LYS C C 81 174.920 174.920 175.864 -0.944 26068 1385 1 3 . 1 1 81 81 LYS CA C 81 54.330 54.330 55.308 -0.978 26068 1386 1 3 . 1 1 81 81 LYS H H 81 8.330 8.330 8.357 -0.027 26068 1387 1 3 . 1 1 82 82 LYS N N 82 121.710 121.710 120.680 1.030 26068 1388 1 3 . 1 1 82 82 LYS HA H 82 4.670 4.670 4.582 0.088 26068 1389 1 3 . 1 1 82 82 LYS C C 82 173.360 173.360 174.545 -1.185 26068 1390 1 3 . 1 1 82 82 LYS CA C 82 53.910 53.910 55.194 -1.284 26068 1391 1 3 . 1 1 82 82 LYS CB C 82 35.200 35.200 35.389 -0.189 26068 1392 1 3 . 1 1 82 82 LYS H H 82 8.970 8.970 8.389 0.581 26068 1393 1 3 . 1 1 83 83 ILE N N 83 123.310 123.310 120.971 2.339 26068 1394 1 3 . 1 1 83 83 ILE HA H 83 4.700 4.700 4.618 0.082 26068 1395 1 3 . 1 1 83 83 ILE C C 83 173.820 173.820 175.737 -1.917 26068 1396 1 3 . 1 1 83 83 ILE CA C 83 60.200 60.200 58.965 1.235 26068 1397 1 3 . 1 1 83 83 ILE CB C 83 37.960 37.960 38.799 -0.839 26068 1398 1 3 . 1 1 83 83 ILE H H 83 8.470 8.470 8.376 0.094 26068 1399 1 3 . 1 1 84 84 LYS N N 84 127.190 127.190 125.734 1.456 26068 1400 1 3 . 1 1 84 84 LYS HA H 84 4.700 4.700 4.657 0.043 26068 1401 1 3 . 1 1 84 84 LYS C C 84 173.770 173.770 174.535 -0.765 26068 1402 1 3 . 1 1 84 84 LYS CA C 84 53.260 53.260 54.685 -1.425 26068 1403 1 3 . 1 1 84 84 LYS CB C 84 35.070 35.070 36.206 -1.136 26068 1404 1 3 . 1 1 84 84 LYS H H 84 9.160 9.160 9.062 0.098 26068 1405 1 3 . 1 1 85 85 LEU N N 85 125.120 125.120 127.204 -2.084 26068 1406 1 3 . 1 1 85 85 LEU HA H 85 4.690 4.690 4.592 0.098 26068 1407 1 3 . 1 1 85 85 LEU C C 85 175.520 175.520 176.010 -0.490 26068 1408 1 3 . 1 1 85 85 LEU CA C 85 52.080 52.080 54.693 -2.613 26068 1409 1 3 . 1 1 85 85 LEU CB C 85 43.670 43.670 42.989 0.681 26068 1410 1 3 . 1 1 85 85 LEU H H 85 8.620 8.620 8.576 0.044 26068 1411 1 3 . 1 1 86 86 THR N N 86 124.610 124.610 117.993 6.617 26068 1412 1 3 . 1 1 86 86 THR HA H 86 4.550 4.550 4.606 -0.056 26068 1413 1 3 . 1 1 86 86 THR C C 86 174.770 174.770 172.687 2.083 26068 1414 1 3 . 1 1 86 86 THR CA C 86 60.440 60.440 60.418 0.022 26068 1415 1 3 . 1 1 86 86 THR CB C 86 68.040 68.040 71.015 -2.975 26068 1416 1 3 . 1 1 86 86 THR H H 86 8.770 8.770 8.706 0.064 26068 1417 1 3 . 1 1 87 87 VAL C C 87 174.810 174.810 174.838 -0.028 26068 1418 1 3 . 1 1 87 87 VAL CA C 87 63.170 63.170 59.483 3.687 26068 1419 1 3 . 1 1 88 88 SER N N 88 122.640 122.640 119.042 3.598 26068 1420 1 3 . 1 1 88 88 SER HA H 88 4.470 4.470 4.732 -0.262 26068 1421 1 3 . 1 1 88 88 SER CA C 88 56.790 56.790 56.185 0.605 26068 1422 1 3 . 1 1 88 88 SER H H 88 8.330 8.330 8.553 -0.223 26068 1423 1 3 . 1 1 89 89 LYS C C 89 176.560 176.560 177.439 -0.879 26068 1424 1 3 . 1 1 90 90 ILE N N 90 117.640 117.640 119.911 -2.271 26068 1425 1 3 . 1 1 90 90 ILE HA H 90 3.700 3.700 3.828 -0.128 26068 1426 1 3 . 1 1 90 90 ILE C C 90 178.250 178.250 176.201 2.049 26068 1427 1 3 . 1 1 90 90 ILE CA C 90 63.200 63.200 63.611 -0.411 26068 1428 1 3 . 1 1 90 90 ILE CB C 90 36.230 36.230 38.389 -2.159 26068 1429 1 3 . 1 1 90 90 ILE H H 90 7.930 7.930 7.367 0.563 26068 1430 1 3 . 1 1 91 91 LEU N N 91 121.350 121.350 109.760 11.590 26068 1431 1 3 . 1 1 91 91 LEU HA H 91 4.210 4.210 4.868 -0.658 26068 1432 1 3 . 1 1 91 91 LEU C C 91 177.410 177.410 175.737 1.673 26068 1433 1 3 . 1 1 91 91 LEU CA C 91 56.750 56.750 54.195 2.555 26068 1434 1 3 . 1 1 91 91 LEU CB C 91 39.561 39.561 42.678 -3.117 26068 1435 1 3 . 1 1 91 91 LEU H H 91 7.380 7.380 7.473 -0.093 26068 1436 1 3 . 1 1 92 92 THR N N 92 113.940 113.940 115.485 -1.545 26068 1437 1 3 . 1 1 92 92 THR HA H 92 3.670 3.670 4.751 -1.081 26068 1438 1 3 . 1 1 92 92 THR C C 92 176.170 176.170 173.971 2.199 26068 1439 1 3 . 1 1 92 92 THR CA C 92 66.150 66.150 62.192 3.958 26068 1440 1 3 . 1 1 92 92 THR CB C 92 66.950 66.950 69.838 -2.889 26068 1441 1 3 . 1 1 92 92 THR H H 92 7.780 7.780 7.617 0.163 26068 1442 1 3 . 1 1 93 93 ASP N N 93 121.580 121.580 121.678 -0.098 26068 1443 1 3 . 1 1 93 93 ASP HA H 93 4.360 4.360 4.856 -0.496 26068 1444 1 3 . 1 1 93 93 ASP C C 93 178.020 178.020 174.948 3.072 26068 1445 1 3 . 1 1 93 93 ASP CA C 93 56.140 56.140 54.132 2.009 26068 1446 1 3 . 1 1 93 93 ASP CB C 93 38.730 38.730 42.387 -3.657 26068 1447 1 3 . 1 1 93 93 ASP H H 93 8.790 8.790 7.745 1.045 26068 1448 1 3 . 1 1 94 94 ALA N N 94 124.610 124.610 126.237 -1.627 26068 1449 1 3 . 1 1 94 94 ALA HA H 94 4.130 4.130 3.999 0.131 26068 1450 1 3 . 1 1 94 94 ALA C C 94 180.080 180.080 175.800 4.280 26068 1451 1 3 . 1 1 94 94 ALA CA C 94 54.120 54.120 53.283 0.837 26068 1452 1 3 . 1 1 94 94 ALA CB C 94 17.110 17.110 18.522 -1.412 26068 1453 1 3 . 1 1 94 94 ALA H H 94 8.050 8.050 8.737 -0.687 26068 1454 1 3 . 1 1 95 95 VAL N N 95 119.040 119.040 117.157 1.883 26068 1455 1 3 . 1 1 95 95 VAL HA H 95 3.650 3.650 4.351 -0.701 26068 1456 1 3 . 1 1 95 95 VAL C C 95 177.260 177.260 175.206 2.054 26068 1457 1 3 . 1 1 95 95 VAL CA C 95 65.350 65.350 61.752 3.598 26068 1458 1 3 . 1 1 95 95 VAL CB C 95 30.640 30.640 33.807 -3.167 26068 1459 1 3 . 1 1 95 95 VAL H H 95 8.110 8.110 7.535 0.575 26068 1460 1 3 . 1 1 96 96 ASP N N 96 119.550 119.550 125.747 -6.197 26068 1461 1 3 . 1 1 96 96 ASP HA H 96 4.460 4.460 4.352 0.108 26068 1462 1 3 . 1 1 96 96 ASP C C 96 176.710 176.710 176.678 0.032 26068 1463 1 3 . 1 1 96 96 ASP CA C 96 55.790 55.790 56.914 -1.125 26068 1464 1 3 . 1 1 96 96 ASP CB C 96 40.140 40.140 39.798 0.342 26068 1465 1 3 . 1 1 96 96 ASP H H 96 7.970 7.970 8.760 -0.790 26068 1466 1 3 . 1 1 97 97 SER N N 97 112.600 112.600 117.739 -5.139 26068 1467 1 3 . 1 1 97 97 SER HA H 97 4.420 4.420 4.425 -0.005 26068 1468 1 3 . 1 1 97 97 SER CA C 97 58.290 58.290 59.604 -1.314 26068 1469 1 3 . 1 1 97 97 SER CB C 97 62.720 62.720 64.536 -1.816 26068 1470 1 3 . 1 1 97 97 SER H H 97 7.870 7.870 8.417 -0.547 26068 1471 1 3 . 1 1 98 98 HIS N N 98 122.580 122.580 120.141 2.439 26068 1472 1 3 . 1 1 98 98 HIS HA H 98 4.090 4.090 4.747 -0.657 26068 1473 1 3 . 1 1 98 98 HIS C C 98 173.400 173.400 172.862 0.538 26068 1474 1 3 . 1 1 98 98 HIS CA C 98 57.400 57.400 56.308 1.092 26068 1475 1 3 . 1 1 98 98 HIS CB C 98 29.810 29.810 30.392 -0.582 26068 1476 1 3 . 1 1 98 98 HIS H H 98 7.340 7.340 7.624 -0.284 26068 1477 1 4 . 1 1 2 2 ALA N N 2 125.690 125.690 123.953 1.737 26068 1478 1 4 . 1 1 2 2 ALA C C 2 176.530 176.530 177.233 -0.703 26068 1479 1 4 . 1 1 2 2 ALA CA C 2 51.730 51.730 51.713 0.017 26068 1480 1 4 . 1 1 2 2 ALA H H 2 8.250 8.250 8.271 -0.021 26068 1481 1 4 . 1 1 3 3 LYS N N 3 121.040 121.040 120.736 0.304 26068 1482 1 4 . 1 1 3 3 LYS C C 3 175.520 175.520 175.647 -0.127 26068 1483 1 4 . 1 1 3 3 LYS CA C 3 55.230 55.230 56.037 -0.807 26068 1484 1 4 . 1 1 3 3 LYS H H 3 8.210 8.210 8.253 -0.043 26068 1485 1 4 . 1 1 4 4 ILE N N 4 122.490 122.490 120.703 1.787 26068 1486 1 4 . 1 1 4 4 ILE HA H 4 4.180 4.180 4.249 -0.069 26068 1487 1 4 . 1 1 4 4 ILE C C 4 174.950 174.950 175.252 -0.302 26068 1488 1 4 . 1 1 4 4 ILE CA C 4 59.870 59.870 60.963 -1.093 26068 1489 1 4 . 1 1 4 4 ILE H H 4 8.170 8.170 8.258 -0.088 26068 1490 1 4 . 1 1 5 5 LYS N N 5 126.600 126.600 126.607 -0.007 26068 1491 1 4 . 1 1 5 5 LYS C C 5 174.330 174.330 175.495 -1.165 26068 1492 1 4 . 1 1 5 5 LYS CA C 5 55.060 55.060 56.031 -0.971 26068 1493 1 4 . 1 1 5 5 LYS H H 5 8.320 8.320 8.559 -0.239 26068 1494 1 4 . 1 1 6 6 SER N N 6 118.400 118.400 118.008 0.392 26068 1495 1 4 . 1 1 6 6 SER C C 6 174.220 174.220 173.962 0.258 26068 1496 1 4 . 1 1 6 6 SER CA C 6 56.300 56.300 57.905 -1.605 26068 1497 1 4 . 1 1 6 6 SER H H 6 8.200 8.200 8.411 -0.211 26068 1498 1 4 . 1 1 7 7 LEU N N 7 125.400 125.400 118.316 7.084 26068 1499 1 4 . 1 1 7 7 LEU C C 7 177.730 177.730 175.024 2.706 26068 1500 1 4 . 1 1 7 7 LEU CA C 7 54.950 54.950 54.818 0.132 26068 1501 1 4 . 1 1 7 7 LEU CB C 7 42.000 42.000 43.737 -1.737 26068 1502 1 4 . 1 1 7 7 LEU H H 7 9.050 9.050 8.475 0.575 26068 1503 1 4 . 1 1 8 8 SER N N 8 124.870 124.870 115.410 9.460 26068 1504 1 4 . 1 1 8 8 SER HA H 8 4.510 4.510 4.618 -0.108 26068 1505 1 4 . 1 1 8 8 SER C C 8 173.810 173.810 175.680 -1.870 26068 1506 1 4 . 1 1 8 8 SER CA C 8 56.740 56.740 57.835 -1.095 26068 1507 1 4 . 1 1 8 8 SER CB C 8 64.390 64.390 63.987 0.403 26068 1508 1 4 . 1 1 8 8 SER H H 8 9.140 9.140 8.710 0.430 26068 1509 1 4 . 1 1 9 9 ALA N N 9 124.340 124.340 124.162 0.178 26068 1510 1 4 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.252 0.148 26068 1511 1 4 . 1 1 9 9 ALA C C 9 178.940 178.940 179.176 -0.236 26068 1512 1 4 . 1 1 9 9 ALA CA C 9 54.940 54.940 54.174 0.766 26068 1513 1 4 . 1 1 9 9 ALA H H 9 8.710 8.710 8.558 0.152 26068 1514 1 4 . 1 1 10 10 ALA N N 10 117.990 117.990 120.260 -2.270 26068 1515 1 4 . 1 1 10 10 ALA C C 10 180.600 180.600 179.274 1.326 26068 1516 1 4 . 1 1 10 10 ALA CA C 10 54.380 54.380 54.214 0.166 26068 1517 1 4 . 1 1 10 10 ALA CB C 10 17.240 17.240 18.291 -1.051 26068 1518 1 4 . 1 1 10 10 ALA H H 10 8.380 8.380 8.505 -0.125 26068 1519 1 4 . 1 1 11 11 GLU N N 11 118.900 118.900 118.723 0.177 26068 1520 1 4 . 1 1 11 11 GLU HA H 11 4.040 4.040 4.218 -0.178 26068 1521 1 4 . 1 1 11 11 GLU C C 11 177.770 177.770 178.713 -0.943 26068 1522 1 4 . 1 1 11 11 GLU CA C 11 58.210 58.210 58.027 0.183 26068 1523 1 4 . 1 1 11 11 GLU CB C 11 29.310 29.310 29.672 -0.362 26068 1524 1 4 . 1 1 11 11 GLU H H 11 7.780 7.780 8.166 -0.386 26068 1525 1 4 . 1 1 12 12 TYR N N 12 125.590 125.590 121.348 4.242 26068 1526 1 4 . 1 1 12 12 TYR C C 12 179.280 179.280 176.626 2.654 26068 1527 1 4 . 1 1 12 12 TYR CA C 12 59.690 59.690 61.302 -1.612 26068 1528 1 4 . 1 1 12 12 TYR CB C 12 37.530 37.530 38.557 -1.027 26068 1529 1 4 . 1 1 12 12 TYR H H 12 8.800 8.800 7.923 0.877 26068 1530 1 4 . 1 1 13 13 LEU N N 13 118.240 118.240 115.637 2.603 26068 1531 1 4 . 1 1 13 13 LEU HA H 13 4.130 4.130 3.974 0.156 26068 1532 1 4 . 1 1 13 13 LEU C C 13 177.790 177.790 177.714 0.076 26068 1533 1 4 . 1 1 13 13 LEU CA C 13 58.180 58.180 56.221 1.959 26068 1534 1 4 . 1 1 13 13 LEU CB C 13 41.290 41.290 41.186 0.104 26068 1535 1 4 . 1 1 13 13 LEU H H 13 8.770 8.770 7.714 1.056 26068 1536 1 4 . 1 1 14 14 LYS N N 14 118.870 118.870 118.354 0.516 26068 1537 1 4 . 1 1 14 14 LYS HA H 14 3.980 3.980 4.064 -0.084 26068 1538 1 4 . 1 1 14 14 LYS C C 14 177.090 177.090 177.766 -0.676 26068 1539 1 4 . 1 1 14 14 LYS CA C 14 58.610 58.610 58.688 -0.078 26068 1540 1 4 . 1 1 14 14 LYS CB C 14 31.220 31.220 32.373 -1.153 26068 1541 1 4 . 1 1 14 14 LYS H H 14 7.790 7.790 7.347 0.443 26068 1542 1 4 . 1 1 15 15 GLU N N 15 119.560 119.560 119.161 0.399 26068 1543 1 4 . 1 1 15 15 GLU HA H 15 4.050 4.050 4.162 -0.112 26068 1544 1 4 . 1 1 15 15 GLU C C 15 179.660 179.660 177.909 1.751 26068 1545 1 4 . 1 1 15 15 GLU CA C 15 59.260 59.260 58.276 0.984 26068 1546 1 4 . 1 1 15 15 GLU CB C 15 28.010 28.010 29.647 -1.637 26068 1547 1 4 . 1 1 15 15 GLU H H 15 8.330 8.330 7.439 0.891 26068 1548 1 4 . 1 1 16 16 MET N N 16 116.760 116.760 118.601 -1.841 26068 1549 1 4 . 1 1 16 16 MET HA H 16 4.420 4.420 4.420 0.000 26068 1550 1 4 . 1 1 16 16 MET C C 16 178.960 178.960 176.654 2.306 26068 1551 1 4 . 1 1 16 16 MET CA C 16 58.200 58.200 53.597 4.603 26068 1552 1 4 . 1 1 16 16 MET CB C 16 34.370 34.370 31.647 2.723 26068 1553 1 4 . 1 1 16 16 MET H H 16 7.940 7.940 8.068 -0.128 26068 1554 1 4 . 1 1 17 17 ALA N N 17 128.000 128.000 124.330 3.670 26068 1555 1 4 . 1 1 17 17 ALA HA H 17 4.210 4.210 4.002 0.208 26068 1556 1 4 . 1 1 17 17 ALA C C 17 179.620 179.620 179.145 0.475 26068 1557 1 4 . 1 1 17 17 ALA CA C 17 54.760 54.760 55.043 -0.283 26068 1558 1 4 . 1 1 17 17 ALA CB C 17 17.750 17.750 18.424 -0.674 26068 1559 1 4 . 1 1 17 17 ALA H H 17 8.820 8.820 7.564 1.256 26068 1560 1 4 . 1 1 18 18 ASP N N 18 119.660 119.660 116.273 3.387 26068 1561 1 4 . 1 1 18 18 ASP HA H 18 4.420 4.420 4.582 -0.162 26068 1562 1 4 . 1 1 18 18 ASP C C 18 177.750 177.750 176.774 0.976 26068 1563 1 4 . 1 1 18 18 ASP CA C 18 55.790 55.790 55.423 0.367 26068 1564 1 4 . 1 1 18 18 ASP CB C 18 38.980 38.980 40.991 -2.011 26068 1565 1 4 . 1 1 18 18 ASP H H 18 8.770 8.770 8.390 0.380 26068 1566 1 4 . 1 1 19 19 GLU N N 19 117.150 117.150 118.289 -1.139 26068 1567 1 4 . 1 1 19 19 GLU HA H 19 4.190 4.190 4.643 -0.453 26068 1568 1 4 . 1 1 19 19 GLU C C 19 177.540 177.540 175.470 2.070 26068 1569 1 4 . 1 1 19 19 GLU CA C 19 57.750 57.750 55.261 2.489 26068 1570 1 4 . 1 1 19 19 GLU CB C 19 29.360 29.360 30.686 -1.326 26068 1571 1 4 . 1 1 19 19 GLU H H 19 7.620 7.620 7.560 0.060 26068 1572 1 4 . 1 1 20 20 THR N N 20 105.730 105.730 112.655 -6.925 26068 1573 1 4 . 1 1 20 20 THR HA H 20 4.120 4.120 4.707 -0.587 26068 1574 1 4 . 1 1 20 20 THR C C 20 174.800 174.800 173.662 1.138 26068 1575 1 4 . 1 1 20 20 THR CA C 20 62.200 62.200 61.825 0.375 26068 1576 1 4 . 1 1 20 20 THR CB C 20 70.870 70.870 69.156 1.714 26068 1577 1 4 . 1 1 20 20 THR H H 20 7.900 7.900 7.554 0.346 26068 1578 1 4 . 1 1 21 21 ASN N N 21 116.950 116.950 120.539 -3.589 26068 1579 1 4 . 1 1 21 21 ASN HA H 21 4.390 4.390 4.739 -0.349 26068 1580 1 4 . 1 1 21 21 ASN C C 21 173.060 173.060 175.070 -2.010 26068 1581 1 4 . 1 1 21 21 ASN CA C 21 54.210 54.210 53.724 0.486 26068 1582 1 4 . 1 1 21 21 ASN CB C 21 36.870 36.870 39.006 -2.136 26068 1583 1 4 . 1 1 21 21 ASN H H 21 8.460 8.460 8.650 -0.190 26068 1584 1 4 . 1 1 22 22 ILE N N 22 121.830 121.830 114.103 7.727 26068 1585 1 4 . 1 1 22 22 ILE HA H 22 4.140 4.140 4.512 -0.372 26068 1586 1 4 . 1 1 22 22 ILE C C 22 174.780 174.780 174.967 -0.187 26068 1587 1 4 . 1 1 22 22 ILE CA C 22 59.100 59.100 61.419 -2.319 26068 1588 1 4 . 1 1 22 22 ILE CB C 22 37.060 37.060 39.024 -1.964 26068 1589 1 4 . 1 1 22 22 ILE H H 22 7.680 7.680 7.735 -0.055 26068 1590 1 4 . 1 1 23 23 LYS N N 23 124.750 124.750 118.992 5.758 26068 1591 1 4 . 1 1 23 23 LYS HA H 23 4.140 4.140 4.592 -0.452 26068 1592 1 4 . 1 1 23 23 LYS C C 23 178.550 178.550 173.724 4.826 26068 1593 1 4 . 1 1 23 23 LYS CA C 23 55.940 55.940 55.582 0.358 26068 1594 1 4 . 1 1 23 23 LYS CB C 23 31.670 31.670 34.873 -3.203 26068 1595 1 4 . 1 1 23 23 LYS H H 23 8.510 8.510 7.356 1.154 26068 1596 1 4 . 1 1 24 24 VAL N N 24 122.570 122.570 119.607 2.963 26068 1597 1 4 . 1 1 24 24 VAL C C 24 176.350 176.350 176.336 0.014 26068 1598 1 4 . 1 1 24 24 VAL CA C 24 66.090 66.090 63.705 2.385 26068 1599 1 4 . 1 1 24 24 VAL CB C 24 30.640 30.640 33.641 -3.001 26068 1600 1 4 . 1 1 24 24 VAL H H 24 8.800 8.800 8.888 -0.088 26068 1601 1 4 . 1 1 25 25 GLN N N 25 117.730 117.730 120.326 -2.596 26068 1602 1 4 . 1 1 25 25 GLN C C 25 177.420 177.420 177.415 0.005 26068 1603 1 4 . 1 1 25 25 GLN CA C 25 58.500 58.500 59.070 -0.570 26068 1604 1 4 . 1 1 25 25 GLN CB C 25 26.800 26.800 28.491 -1.691 26068 1605 1 4 . 1 1 25 25 GLN H H 25 8.950 8.950 8.697 0.253 26068 1606 1 4 . 1 1 26 26 ASP N N 26 120.360 120.360 119.966 0.394 26068 1607 1 4 . 1 1 26 26 ASP HA H 26 4.610 4.610 4.416 0.194 26068 1608 1 4 . 1 1 26 26 ASP C C 26 177.320 177.320 178.113 -0.793 26068 1609 1 4 . 1 1 26 26 ASP CA C 26 55.980 55.980 57.321 -1.341 26068 1610 1 4 . 1 1 26 26 ASP CB C 26 39.240 39.240 39.873 -0.633 26068 1611 1 4 . 1 1 26 26 ASP H H 26 7.100 7.100 8.811 -1.711 26068 1612 1 4 . 1 1 27 27 ILE N N 27 120.730 120.730 119.745 0.985 26068 1613 1 4 . 1 1 27 27 ILE C C 27 177.470 177.470 177.247 0.223 26068 1614 1 4 . 1 1 27 27 ILE CA C 27 65.110 65.110 63.654 1.456 26068 1615 1 4 . 1 1 27 27 ILE CB C 27 35.840 35.840 37.676 -1.836 26068 1616 1 4 . 1 1 27 27 ILE H H 27 7.950 7.950 7.475 0.475 26068 1617 1 4 . 1 1 28 28 ARG N N 28 118.340 118.340 119.434 -1.094 26068 1618 1 4 . 1 1 28 28 ARG C C 28 178.150 178.150 178.774 -0.624 26068 1619 1 4 . 1 1 28 28 ARG CA C 28 59.040 59.040 59.477 -0.437 26068 1620 1 4 . 1 1 28 28 ARG CB C 28 28.910 28.910 29.710 -0.800 26068 1621 1 4 . 1 1 28 28 ARG H H 28 8.640 8.640 7.714 0.926 26068 1622 1 4 . 1 1 29 29 LEU N N 29 119.800 119.800 118.376 1.424 26068 1623 1 4 . 1 1 29 29 LEU HA H 29 4.050 4.050 4.179 -0.129 26068 1624 1 4 . 1 1 29 29 LEU C C 29 178.970 178.970 178.701 0.269 26068 1625 1 4 . 1 1 29 29 LEU CA C 29 57.150 57.150 57.301 -0.151 26068 1626 1 4 . 1 1 29 29 LEU CB C 29 40.840 40.840 41.640 -0.800 26068 1627 1 4 . 1 1 29 29 LEU H H 29 7.340 7.340 7.765 -0.425 26068 1628 1 4 . 1 1 30 30 VAL N N 30 120.200 120.200 119.924 0.276 26068 1629 1 4 . 1 1 30 30 VAL HA H 30 3.410 3.410 3.840 -0.430 26068 1630 1 4 . 1 1 30 30 VAL C C 30 176.580 176.580 178.564 -1.984 26068 1631 1 4 . 1 1 30 30 VAL CA C 30 66.490 66.490 65.263 1.227 26068 1632 1 4 . 1 1 30 30 VAL CB C 30 30.390 30.390 31.039 -0.649 26068 1633 1 4 . 1 1 30 30 VAL H H 30 7.930 7.930 7.550 0.380 26068 1634 1 4 . 1 1 31 31 VAL N N 31 119.110 119.110 120.006 -0.896 26068 1635 1 4 . 1 1 31 31 VAL HA H 31 3.210 3.210 3.648 -0.438 26068 1636 1 4 . 1 1 31 31 VAL C C 31 177.750 177.750 178.201 -0.451 26068 1637 1 4 . 1 1 31 31 VAL CA C 31 66.040 66.040 66.594 -0.554 26068 1638 1 4 . 1 1 31 31 VAL CB C 31 29.870 29.870 30.773 -0.903 26068 1639 1 4 . 1 1 31 31 VAL H H 31 8.520 8.520 8.170 0.350 26068 1640 1 4 . 1 1 32 32 THR N N 32 118.400 118.400 113.788 4.612 26068 1641 1 4 . 1 1 32 32 THR C C 32 175.680 175.680 176.546 -0.866 26068 1642 1 4 . 1 1 32 32 THR CA C 32 66.440 66.440 66.196 0.244 26068 1643 1 4 . 1 1 32 32 THR CB C 32 67.470 67.470 69.028 -1.558 26068 1644 1 4 . 1 1 32 32 THR H H 32 8.220 8.220 7.517 0.703 26068 1645 1 4 . 1 1 33 33 SER N N 33 118.470 118.470 117.922 0.548 26068 1646 1 4 . 1 1 33 33 SER HA H 33 4.330 4.330 4.357 -0.027 26068 1647 1 4 . 1 1 33 33 SER C C 33 175.560 175.560 176.377 -0.817 26068 1648 1 4 . 1 1 33 33 SER CA C 33 60.860 60.860 61.446 -0.586 26068 1649 1 4 . 1 1 33 33 SER CB C 33 62.720 62.720 63.192 -0.472 26068 1650 1 4 . 1 1 33 33 SER H H 33 7.820 7.820 8.112 -0.292 26068 1651 1 4 . 1 1 34 34 LEU N N 34 120.790 120.790 123.364 -2.574 26068 1652 1 4 . 1 1 34 34 LEU C C 34 180.120 180.120 178.825 1.295 26068 1653 1 4 . 1 1 34 34 LEU CA C 34 58.680 58.680 58.624 0.056 26068 1654 1 4 . 1 1 34 34 LEU CB C 34 41.870 41.870 41.583 0.287 26068 1655 1 4 . 1 1 34 34 LEU H H 34 8.940 8.940 7.645 1.295 26068 1656 1 4 . 1 1 35 35 GLN N N 35 117.680 117.680 116.382 1.298 26068 1657 1 4 . 1 1 35 35 GLN HA H 35 3.800 3.800 4.162 -0.362 26068 1658 1 4 . 1 1 35 35 GLN C C 35 176.160 176.160 178.485 -2.325 26068 1659 1 4 . 1 1 35 35 GLN CA C 35 58.910 58.910 58.080 0.830 26068 1660 1 4 . 1 1 35 35 GLN CB C 35 29.040 29.040 28.177 0.863 26068 1661 1 4 . 1 1 35 35 GLN H H 35 7.670 7.670 7.657 0.013 26068 1662 1 4 . 1 1 36 36 LYS N N 36 124.070 124.070 121.151 2.919 26068 1663 1 4 . 1 1 36 36 LYS HA H 36 4.000 4.000 4.046 -0.046 26068 1664 1 4 . 1 1 36 36 LYS C C 36 178.720 178.720 178.957 -0.237 26068 1665 1 4 . 1 1 36 36 LYS CA C 36 59.100 59.100 59.228 -0.129 26068 1666 1 4 . 1 1 36 36 LYS CB C 36 31.480 31.480 32.084 -0.604 26068 1667 1 4 . 1 1 36 36 LYS H H 36 8.100 8.100 7.326 0.774 26068 1668 1 4 . 1 1 37 37 VAL N N 37 120.470 120.470 118.752 1.718 26068 1669 1 4 . 1 1 37 37 VAL HA H 37 3.420 3.420 3.693 -0.273 26068 1670 1 4 . 1 1 37 37 VAL C C 37 176.250 176.250 178.659 -2.409 26068 1671 1 4 . 1 1 37 37 VAL CA C 37 65.610 65.610 66.114 -0.504 26068 1672 1 4 . 1 1 37 37 VAL H H 37 8.560 8.560 7.946 0.614 26068 1673 1 4 . 1 1 38 38 LEU N N 38 119.990 119.990 121.073 -1.083 26068 1674 1 4 . 1 1 38 38 LEU C C 38 176.920 176.920 178.194 -1.274 26068 1675 1 4 . 1 1 38 38 LEU CA C 38 57.720 57.720 57.726 -0.006 26068 1676 1 4 . 1 1 38 38 LEU CB C 38 41.040 41.040 40.922 0.118 26068 1677 1 4 . 1 1 38 38 LEU H H 38 7.120 7.120 7.470 -0.350 26068 1678 1 4 . 1 1 39 39 ALA N N 39 117.870 117.870 117.953 -0.083 26068 1679 1 4 . 1 1 39 39 ALA HA H 39 3.780 3.780 3.971 -0.191 26068 1680 1 4 . 1 1 39 39 ALA C C 39 177.770 177.770 178.873 -1.103 26068 1681 1 4 . 1 1 39 39 ALA CA C 39 53.910 53.910 54.067 -0.157 26068 1682 1 4 . 1 1 39 39 ALA CB C 39 17.370 17.370 17.966 -0.596 26068 1683 1 4 . 1 1 39 39 ALA H H 39 7.540 7.540 7.815 -0.275 26068 1684 1 4 . 1 1 40 40 LYS N N 40 117.340 117.340 119.101 -1.761 26068 1685 1 4 . 1 1 40 40 LYS HA H 40 3.220 3.220 4.040 -0.820 26068 1686 1 4 . 1 1 40 40 LYS C C 40 179.390 179.390 179.219 0.171 26068 1687 1 4 . 1 1 40 40 LYS CA C 40 58.170 58.170 59.163 -0.993 26068 1688 1 4 . 1 1 40 40 LYS CB C 40 29.750 29.750 32.356 -2.606 26068 1689 1 4 . 1 1 40 40 LYS H H 40 7.760 7.760 7.387 0.373 26068 1690 1 4 . 1 1 41 41 GLU N N 41 119.510 119.510 120.043 -0.533 26068 1691 1 4 . 1 1 41 41 GLU HA H 41 3.900 3.900 4.143 -0.243 26068 1692 1 4 . 1 1 41 41 GLU C C 41 179.390 179.390 179.222 0.168 26068 1693 1 4 . 1 1 41 41 GLU CA C 41 57.850 57.850 58.486 -0.636 26068 1694 1 4 . 1 1 41 41 GLU CB C 41 28.720 28.720 29.378 -0.658 26068 1695 1 4 . 1 1 41 41 GLU H H 41 8.810 8.810 8.148 0.662 26068 1696 1 4 . 1 1 42 42 LEU N N 42 120.430 120.430 119.695 0.735 26068 1697 1 4 . 1 1 42 42 LEU HA H 42 3.670 3.670 4.148 -0.478 26068 1698 1 4 . 1 1 42 42 LEU C C 42 176.370 176.370 178.745 -2.375 26068 1699 1 4 . 1 1 42 42 LEU CA C 42 57.650 57.650 56.914 0.736 26068 1700 1 4 . 1 1 42 42 LEU CB C 42 41.040 41.040 41.934 -0.894 26068 1701 1 4 . 1 1 42 42 LEU H H 42 8.200 8.200 7.520 0.680 26068 1702 1 4 . 1 1 43 43 ALA N N 43 117.000 117.000 118.493 -1.493 26068 1703 1 4 . 1 1 43 43 ALA HA H 43 4.030 4.030 4.216 -0.186 26068 1704 1 4 . 1 1 43 43 ALA C C 43 177.510 177.510 177.852 -0.342 26068 1705 1 4 . 1 1 43 43 ALA CA C 43 53.130 53.130 53.065 0.065 26068 1706 1 4 . 1 1 43 43 ALA CB C 43 19.230 19.230 18.647 0.583 26068 1707 1 4 . 1 1 43 43 ALA H H 43 7.850 7.850 7.498 0.352 26068 1708 1 4 . 1 1 44 44 THR N N 44 107.520 107.520 110.001 -2.481 26068 1709 1 4 . 1 1 44 44 THR HA H 44 4.370 4.370 4.355 0.015 26068 1710 1 4 . 1 1 44 44 THR C C 44 174.160 174.160 174.742 -0.582 26068 1711 1 4 . 1 1 44 44 THR CA C 44 61.030 61.030 61.189 -0.159 26068 1712 1 4 . 1 1 44 44 THR CB C 44 69.200 69.200 69.987 -0.787 26068 1713 1 4 . 1 1 44 44 THR H H 44 7.570 7.570 7.344 0.226 26068 1714 1 4 . 1 1 45 45 THR N N 45 120.020 120.020 117.118 2.902 26068 1715 1 4 . 1 1 45 45 THR HA H 45 4.170 4.170 3.950 0.220 26068 1716 1 4 . 1 1 45 45 THR C C 45 175.160 175.160 173.689 1.471 26068 1717 1 4 . 1 1 45 45 THR CA C 45 63.160 63.160 63.786 -0.626 26068 1718 1 4 . 1 1 45 45 THR CB C 45 68.750 68.750 67.536 1.214 26068 1719 1 4 . 1 1 45 45 THR H H 45 8.690 8.690 7.450 1.240 26068 1720 1 4 . 1 1 46 46 GLY N N 46 108.110 108.110 109.278 -1.168 26068 1721 1 4 . 1 1 46 46 GLY C C 46 171.890 171.890 173.724 -1.834 26068 1722 1 4 . 1 1 46 46 GLY CA C 46 44.600 44.600 44.477 0.123 26068 1723 1 4 . 1 1 46 46 GLY H H 46 8.300 8.300 7.859 0.441 26068 1724 1 4 . 1 1 47 47 GLU N N 47 115.320 115.320 126.914 -11.594 26068 1725 1 4 . 1 1 47 47 GLU HA H 47 5.330 5.330 4.435 0.895 26068 1726 1 4 . 1 1 47 47 GLU C C 47 173.280 173.280 176.079 -2.799 26068 1727 1 4 . 1 1 47 47 GLU CA C 47 54.060 54.060 55.418 -1.358 26068 1728 1 4 . 1 1 47 47 GLU CB C 47 32.280 32.280 28.801 3.479 26068 1729 1 4 . 1 1 47 47 GLU H H 47 7.210 7.210 8.651 -1.441 26068 1730 1 4 . 1 1 48 48 VAL N N 48 118.460 118.460 122.277 -3.817 26068 1731 1 4 . 1 1 48 48 VAL HA H 48 4.450 4.450 3.914 0.536 26068 1732 1 4 . 1 1 48 48 VAL C C 48 171.500 171.500 175.025 -3.525 26068 1733 1 4 . 1 1 48 48 VAL CA C 48 60.080 60.080 63.367 -3.287 26068 1734 1 4 . 1 1 48 48 VAL CB C 48 32.510 32.510 32.357 0.153 26068 1735 1 4 . 1 1 48 48 VAL H H 48 8.810 8.810 7.653 1.157 26068 1736 1 4 . 1 1 49 49 ARG N N 49 129.960 129.960 128.948 1.012 26068 1737 1 4 . 1 1 49 49 ARG HA H 49 4.700 4.700 4.720 -0.020 26068 1738 1 4 . 1 1 49 49 ARG C C 49 173.520 173.520 175.270 -1.750 26068 1739 1 4 . 1 1 49 49 ARG CA C 49 54.960 54.960 55.213 -0.253 26068 1740 1 4 . 1 1 49 49 ARG CB C 49 29.170 29.170 31.665 -2.495 26068 1741 1 4 . 1 1 49 49 ARG H H 49 9.510 9.510 8.591 0.919 26068 1742 1 4 . 1 1 50 50 LEU N N 50 129.550 129.550 129.072 0.478 26068 1743 1 4 . 1 1 50 50 LEU HA H 50 4.440 4.440 4.680 -0.240 26068 1744 1 4 . 1 1 50 50 LEU C C 50 171.890 171.890 175.772 -3.882 26068 1745 1 4 . 1 1 50 50 LEU CA C 50 51.100 51.100 53.557 -2.457 26068 1746 1 4 . 1 1 50 50 LEU CB C 50 41.740 41.740 42.912 -1.172 26068 1747 1 4 . 1 1 50 50 LEU H H 50 8.960 8.960 8.755 0.205 26068 1748 1 4 . 1 1 51 51 PHE N N 51 122.720 122.720 127.973 -5.253 26068 1749 1 4 . 1 1 51 51 PHE HA H 51 3.750 3.750 4.308 -0.558 26068 1750 1 4 . 1 1 51 51 PHE C C 51 173.520 173.520 175.783 -2.263 26068 1751 1 4 . 1 1 51 51 PHE CA C 51 59.750 59.750 59.243 0.507 26068 1752 1 4 . 1 1 51 51 PHE CB C 51 36.610 36.610 39.047 -2.437 26068 1753 1 4 . 1 1 51 51 PHE H H 51 7.960 7.960 8.824 -0.864 26068 1754 1 4 . 1 1 52 52 ASP N N 52 122.670 122.670 123.959 -1.289 26068 1755 1 4 . 1 1 52 52 ASP HA H 52 5.070 5.070 4.130 0.940 26068 1756 1 4 . 1 1 52 52 ASP C C 52 175.160 175.160 174.517 0.643 26068 1757 1 4 . 1 1 52 52 ASP CA C 52 53.380 53.380 54.638 -1.258 26068 1758 1 4 . 1 1 52 52 ASP CB C 52 39.950 39.950 38.466 1.484 26068 1759 1 4 . 1 1 52 52 ASP H H 52 8.690 8.690 8.218 0.472 26068 1760 1 4 . 1 1 53 53 ILE N N 53 121.190 121.190 116.819 4.371 26068 1761 1 4 . 1 1 53 53 ILE HA H 53 3.980 3.980 4.322 -0.342 26068 1762 1 4 . 1 1 53 53 ILE C C 53 174.950 174.950 175.227 -0.277 26068 1763 1 4 . 1 1 53 53 ILE CA C 53 63.530 63.530 61.990 1.540 26068 1764 1 4 . 1 1 53 53 ILE CB C 53 37.000 37.000 39.827 -2.827 26068 1765 1 4 . 1 1 53 53 ILE H H 53 8.710 8.710 7.900 0.810 26068 1766 1 4 . 1 1 54 54 GLY N N 54 101.400 101.400 107.005 -5.605 26068 1767 1 4 . 1 1 54 54 GLY C C 54 169.840 169.840 171.436 -1.596 26068 1768 1 4 . 1 1 54 54 GLY CA C 54 43.740 43.740 45.123 -1.383 26068 1769 1 4 . 1 1 54 54 GLY H H 54 6.690 6.690 7.902 -1.212 26068 1770 1 4 . 1 1 55 55 LYS N N 55 119.440 119.440 120.725 -1.285 26068 1771 1 4 . 1 1 55 55 LYS HA H 55 4.930 4.930 5.192 -0.262 26068 1772 1 4 . 1 1 55 55 LYS C C 55 174.340 174.340 174.366 -0.026 26068 1773 1 4 . 1 1 55 55 LYS CA C 55 54.190 54.190 54.907 -0.717 26068 1774 1 4 . 1 1 55 55 LYS CB C 55 33.660 33.660 36.407 -2.747 26068 1775 1 4 . 1 1 55 55 LYS H H 55 8.110 8.110 7.741 0.369 26068 1776 1 4 . 1 1 56 56 PHE N N 56 128.540 128.540 123.325 5.215 26068 1777 1 4 . 1 1 56 56 PHE HA H 56 5.170 5.170 5.032 0.138 26068 1778 1 4 . 1 1 56 56 PHE C C 56 174.040 174.040 175.625 -1.585 26068 1779 1 4 . 1 1 56 56 PHE CA C 56 56.140 56.140 57.388 -1.248 26068 1780 1 4 . 1 1 56 56 PHE CB C 56 41.100 41.100 40.065 1.035 26068 1781 1 4 . 1 1 56 56 PHE H H 56 9.420 9.420 9.255 0.165 26068 1782 1 4 . 1 1 57 57 LYS N N 57 120.820 120.820 123.503 -2.683 26068 1783 1 4 . 1 1 57 57 LYS HA H 57 5.030 5.030 4.649 0.381 26068 1784 1 4 . 1 1 57 57 LYS C C 57 173.280 173.280 175.134 -1.854 26068 1785 1 4 . 1 1 57 57 LYS CA C 57 54.190 54.190 55.197 -1.007 26068 1786 1 4 . 1 1 57 57 LYS CB C 57 36.420 36.420 34.578 1.842 26068 1787 1 4 . 1 1 57 57 LYS H H 57 9.060 9.060 8.897 0.163 26068 1788 1 4 . 1 1 58 58 LEU N N 58 125.690 125.690 126.710 -1.020 26068 1789 1 4 . 1 1 58 58 LEU HA H 58 4.950 4.950 5.015 -0.065 26068 1790 1 4 . 1 1 58 58 LEU C C 58 175.180 175.180 177.023 -1.843 26068 1791 1 4 . 1 1 58 58 LEU CA C 58 52.890 52.890 54.032 -1.142 26068 1792 1 4 . 1 1 58 58 LEU CB C 58 42.320 42.320 42.400 -0.080 26068 1793 1 4 . 1 1 58 58 LEU H H 58 8.420 8.420 8.692 -0.272 26068 1794 1 4 . 1 1 59 59 VAL N N 59 125.770 125.770 121.684 4.086 26068 1795 1 4 . 1 1 59 59 VAL HA H 59 4.540 4.540 4.582 -0.042 26068 1796 1 4 . 1 1 59 59 VAL C C 59 174.690 174.690 174.927 -0.237 26068 1797 1 4 . 1 1 59 59 VAL CA C 59 59.780 59.780 60.734 -0.954 26068 1798 1 4 . 1 1 59 59 VAL CB C 59 32.950 32.950 32.860 0.090 26068 1799 1 4 . 1 1 59 59 VAL H H 59 9.260 9.260 8.346 0.914 26068 1800 1 4 . 1 1 60 60 THR N N 60 119.180 119.180 114.089 5.091 26068 1801 1 4 . 1 1 60 60 THR C C 60 174.250 174.250 173.337 0.913 26068 1802 1 4 . 1 1 60 60 THR CA C 60 60.740 60.740 61.476 -0.736 26068 1803 1 4 . 1 1 60 60 THR CB C 60 65.260 65.260 70.257 -4.997 26068 1804 1 4 . 1 1 60 60 THR H H 60 8.480 8.480 8.275 0.205 26068 1805 1 4 . 1 1 61 61 THR N N 61 117.840 117.840 118.676 -0.836 26068 1806 1 4 . 1 1 61 61 THR C C 61 173.550 173.550 173.914 -0.364 26068 1807 1 4 . 1 1 61 61 THR CA C 61 59.290 59.290 60.986 -1.696 26068 1808 1 4 . 1 1 61 61 THR H H 61 8.610 8.610 8.620 -0.010 26068 1809 1 4 . 1 1 62 62 LYS N N 62 122.610 122.610 124.280 -1.670 26068 1810 1 4 . 1 1 62 62 LYS HA H 62 4.480 4.480 4.572 -0.092 26068 1811 1 4 . 1 1 62 62 LYS CA C 62 53.750 53.750 54.518 -0.768 26068 1812 1 4 . 1 1 62 62 LYS H H 62 8.380 8.380 8.333 0.047 26068 1813 1 4 . 1 1 63 63 PRO C C 63 176.780 176.780 176.550 0.230 26068 1814 1 4 . 1 1 64 64 ARG N N 64 116.830 116.830 120.433 -3.603 26068 1815 1 4 . 1 1 64 64 ARG C C 64 177.070 177.070 174.912 2.158 26068 1816 1 4 . 1 1 64 64 ARG CA C 64 57.230 57.230 55.293 1.937 26068 1817 1 4 . 1 1 64 64 ARG H H 64 8.130 8.130 8.597 -0.467 26068 1818 1 4 . 1 1 65 65 THR N N 65 127.240 127.240 112.841 14.399 26068 1819 1 4 . 1 1 65 65 THR C C 65 173.780 173.780 173.794 -0.014 26068 1820 1 4 . 1 1 65 65 THR CA C 65 60.680 60.680 59.655 1.025 26068 1821 1 4 . 1 1 65 65 THR H H 65 7.370 7.370 8.250 -0.880 26068 1822 1 4 . 1 1 66 66 GLY N N 66 112.840 112.840 108.105 4.735 26068 1823 1 4 . 1 1 66 66 GLY C C 66 171.630 171.630 171.760 -0.130 26068 1824 1 4 . 1 1 66 66 GLY CA C 66 43.610 43.610 44.991 -1.381 26068 1825 1 4 . 1 1 66 66 GLY H H 66 8.760 8.760 8.228 0.532 26068 1826 1 4 . 1 1 67 67 ILE N N 67 119.560 119.560 119.754 -0.194 26068 1827 1 4 . 1 1 67 67 ILE C C 67 175.110 175.110 175.179 -0.069 26068 1828 1 4 . 1 1 67 67 ILE CA C 67 58.220 58.220 59.978 -1.758 26068 1829 1 4 . 1 1 67 67 ILE H H 67 8.310 8.310 8.367 -0.057 26068 1830 1 4 . 1 1 68 68 ASN N N 68 127.190 127.190 125.953 1.237 26068 1831 1 4 . 1 1 68 68 ASN CA C 68 49.840 49.840 52.159 -2.319 26068 1832 1 4 . 1 1 68 68 ASN H H 68 8.750 8.750 8.146 0.604 26068 1833 1 4 . 1 1 70 70 LYS N N 70 128.540 128.540 119.072 9.468 26068 1834 1 4 . 1 1 70 70 LYS HA H 70 4.530 4.530 4.531 -0.001 26068 1835 1 4 . 1 1 70 70 LYS CA C 70 57.270 57.270 56.297 0.973 26068 1836 1 4 . 1 1 70 70 LYS H H 70 8.870 8.870 8.404 0.466 26068 1837 1 4 . 1 1 71 71 THR C C 71 174.770 174.770 173.105 1.665 26068 1838 1 4 . 1 1 71 71 THR CA C 71 60.650 60.650 60.909 -0.259 26068 1839 1 4 . 1 1 72 72 LYS N N 72 116.540 116.540 120.509 -3.969 26068 1840 1 4 . 1 1 72 72 LYS C C 72 174.500 174.500 176.453 -1.953 26068 1841 1 4 . 1 1 72 72 LYS CA C 72 56.710 56.710 56.347 0.363 26068 1842 1 4 . 1 1 72 72 LYS H H 72 8.450 8.450 8.502 -0.052 26068 1843 1 4 . 1 1 73 73 GLN N N 73 117.620 117.620 119.253 -1.633 26068 1844 1 4 . 1 1 73 73 GLN HA H 73 4.200 4.200 4.339 -0.139 26068 1845 1 4 . 1 1 73 73 GLN C C 73 174.700 174.700 174.782 -0.082 26068 1846 1 4 . 1 1 73 73 GLN CA C 73 54.250 54.250 55.313 -1.063 26068 1847 1 4 . 1 1 73 73 GLN H H 73 7.600 7.600 7.693 -0.093 26068 1848 1 4 . 1 1 74 74 LYS N N 74 122.530 122.530 120.968 1.562 26068 1849 1 4 . 1 1 74 74 LYS C C 74 175.840 175.840 176.323 -0.483 26068 1850 1 4 . 1 1 74 74 LYS CA C 74 55.900 55.900 56.051 -0.151 26068 1851 1 4 . 1 1 74 74 LYS H H 74 8.500 8.500 8.419 0.081 26068 1852 1 4 . 1 1 75 75 ILE N N 75 121.120 121.120 124.009 -2.889 26068 1853 1 4 . 1 1 75 75 ILE HA H 75 4.440 4.440 4.207 0.233 26068 1854 1 4 . 1 1 75 75 ILE C C 75 174.000 174.000 174.793 -0.793 26068 1855 1 4 . 1 1 75 75 ILE CA C 75 58.750 58.750 61.523 -2.773 26068 1856 1 4 . 1 1 75 75 ILE H H 75 8.480 8.480 8.187 0.293 26068 1857 1 4 . 1 1 76 76 GLN N N 76 123.280 123.280 125.510 -2.230 26068 1858 1 4 . 1 1 76 76 GLN C C 76 174.000 174.000 174.729 -0.729 26068 1859 1 4 . 1 1 76 76 GLN CA C 76 54.220 54.220 54.652 -0.432 26068 1860 1 4 . 1 1 76 76 GLN H H 76 8.510 8.510 8.582 -0.072 26068 1861 1 4 . 1 1 77 77 ILE N N 77 115.590 115.590 126.131 -10.541 26068 1862 1 4 . 1 1 77 77 ILE CA C 77 60.710 60.710 58.713 1.997 26068 1863 1 4 . 1 1 77 77 ILE H H 77 8.420 8.420 8.153 0.267 26068 1864 1 4 . 1 1 78 78 PRO C C 78 176.070 176.070 176.010 0.060 26068 1865 1 4 . 1 1 79 79 ALA N N 79 123.150 123.150 121.002 2.148 26068 1866 1 4 . 1 1 79 79 ALA HA H 79 3.990 3.990 4.625 -0.635 26068 1867 1 4 . 1 1 79 79 ALA C C 79 176.740 176.740 177.768 -1.028 26068 1868 1 4 . 1 1 79 79 ALA CA C 79 51.670 51.670 51.525 0.145 26068 1869 1 4 . 1 1 79 79 ALA CB C 79 18.710 18.710 19.890 -1.180 26068 1870 1 4 . 1 1 79 79 ALA H H 79 8.490 8.490 8.356 0.134 26068 1871 1 4 . 1 1 80 80 GLY N N 80 109.540 109.540 109.406 0.134 26068 1872 1 4 . 1 1 80 80 GLY C C 80 172.350 172.350 172.236 0.114 26068 1873 1 4 . 1 1 80 80 GLY CA C 80 43.650 43.650 44.449 -0.799 26068 1874 1 4 . 1 1 80 80 GLY H H 80 7.960 7.960 8.289 -0.329 26068 1875 1 4 . 1 1 81 81 LYS N N 81 120.310 120.310 118.680 1.630 26068 1876 1 4 . 1 1 81 81 LYS C C 81 174.920 174.920 175.109 -0.189 26068 1877 1 4 . 1 1 81 81 LYS CA C 81 54.330 54.330 54.281 0.049 26068 1878 1 4 . 1 1 81 81 LYS H H 81 8.330 8.330 8.168 0.162 26068 1879 1 4 . 1 1 82 82 LYS N N 82 121.710 121.710 122.824 -1.114 26068 1880 1 4 . 1 1 82 82 LYS HA H 82 4.670 4.670 4.584 0.086 26068 1881 1 4 . 1 1 82 82 LYS C C 82 173.360 173.360 174.468 -1.108 26068 1882 1 4 . 1 1 82 82 LYS CA C 82 53.910 53.910 55.597 -1.687 26068 1883 1 4 . 1 1 82 82 LYS CB C 82 35.200 35.200 36.053 -0.853 26068 1884 1 4 . 1 1 82 82 LYS H H 82 8.970 8.970 8.857 0.113 26068 1885 1 4 . 1 1 83 83 ILE N N 83 123.310 123.310 124.713 -1.403 26068 1886 1 4 . 1 1 83 83 ILE HA H 83 4.700 4.700 4.265 0.435 26068 1887 1 4 . 1 1 83 83 ILE C C 83 173.820 173.820 175.564 -1.744 26068 1888 1 4 . 1 1 83 83 ILE CA C 83 60.200 60.200 61.409 -1.209 26068 1889 1 4 . 1 1 83 83 ILE CB C 83 37.960 37.960 38.356 -0.397 26068 1890 1 4 . 1 1 83 83 ILE H H 83 8.470 8.470 8.492 -0.022 26068 1891 1 4 . 1 1 84 84 LYS N N 84 127.190 127.190 128.791 -1.601 26068 1892 1 4 . 1 1 84 84 LYS HA H 84 4.700 4.700 4.694 0.006 26068 1893 1 4 . 1 1 84 84 LYS C C 84 173.770 173.770 174.616 -0.846 26068 1894 1 4 . 1 1 84 84 LYS CA C 84 53.260 53.260 54.852 -1.593 26068 1895 1 4 . 1 1 84 84 LYS CB C 84 35.070 35.070 35.315 -0.245 26068 1896 1 4 . 1 1 84 84 LYS H H 84 9.160 9.160 9.097 0.063 26068 1897 1 4 . 1 1 85 85 LEU N N 85 125.120 125.120 129.113 -3.993 26068 1898 1 4 . 1 1 85 85 LEU HA H 85 4.690 4.690 4.318 0.372 26068 1899 1 4 . 1 1 85 85 LEU C C 85 175.520 175.520 176.501 -0.981 26068 1900 1 4 . 1 1 85 85 LEU CA C 85 52.080 52.080 55.438 -3.358 26068 1901 1 4 . 1 1 85 85 LEU CB C 85 43.670 43.670 42.778 0.892 26068 1902 1 4 . 1 1 85 85 LEU H H 85 8.620 8.620 8.701 -0.081 26068 1903 1 4 . 1 1 86 86 THR N N 86 124.610 124.610 119.404 5.206 26068 1904 1 4 . 1 1 86 86 THR HA H 86 4.550 4.550 4.562 -0.012 26068 1905 1 4 . 1 1 86 86 THR C C 86 174.770 174.770 172.652 2.118 26068 1906 1 4 . 1 1 86 86 THR CA C 86 60.440 60.440 60.696 -0.256 26068 1907 1 4 . 1 1 86 86 THR CB C 86 68.040 68.040 71.493 -3.453 26068 1908 1 4 . 1 1 86 86 THR H H 86 8.770 8.770 8.717 0.053 26068 1909 1 4 . 1 1 87 87 VAL C C 87 174.810 174.810 174.448 0.362 26068 1910 1 4 . 1 1 87 87 VAL CA C 87 63.170 63.170 60.020 3.150 26068 1911 1 4 . 1 1 88 88 SER N N 88 122.640 122.640 118.604 4.036 26068 1912 1 4 . 1 1 88 88 SER HA H 88 4.470 4.470 4.787 -0.317 26068 1913 1 4 . 1 1 88 88 SER CA C 88 56.790 56.790 56.240 0.550 26068 1914 1 4 . 1 1 88 88 SER H H 88 8.330 8.330 8.562 -0.232 26068 1915 1 4 . 1 1 89 89 LYS C C 89 176.560 176.560 178.004 -1.444 26068 1916 1 4 . 1 1 90 90 ILE N N 90 117.640 117.640 118.833 -1.193 26068 1917 1 4 . 1 1 90 90 ILE HA H 90 3.700 3.700 3.920 -0.220 26068 1918 1 4 . 1 1 90 90 ILE C C 90 178.250 178.250 175.893 2.357 26068 1919 1 4 . 1 1 90 90 ILE CA C 90 63.200 63.200 63.370 -0.170 26068 1920 1 4 . 1 1 90 90 ILE CB C 90 36.230 36.230 38.162 -1.932 26068 1921 1 4 . 1 1 90 90 ILE H H 90 7.930 7.930 7.847 0.083 26068 1922 1 4 . 1 1 91 91 LEU N N 91 121.350 121.350 110.922 10.428 26068 1923 1 4 . 1 1 91 91 LEU HA H 91 4.210 4.210 4.896 -0.686 26068 1924 1 4 . 1 1 91 91 LEU C C 91 177.410 177.410 175.771 1.639 26068 1925 1 4 . 1 1 91 91 LEU CA C 91 56.750 56.750 54.093 2.657 26068 1926 1 4 . 1 1 91 91 LEU CB C 91 39.561 39.561 42.278 -2.717 26068 1927 1 4 . 1 1 91 91 LEU H H 91 7.380 7.380 7.926 -0.546 26068 1928 1 4 . 1 1 92 92 THR N N 92 113.940 113.940 115.037 -1.097 26068 1929 1 4 . 1 1 92 92 THR HA H 92 3.670 3.670 4.692 -1.022 26068 1930 1 4 . 1 1 92 92 THR C C 92 176.170 176.170 174.033 2.137 26068 1931 1 4 . 1 1 92 92 THR CA C 92 66.150 66.150 62.525 3.625 26068 1932 1 4 . 1 1 92 92 THR CB C 92 66.950 66.950 69.876 -2.926 26068 1933 1 4 . 1 1 92 92 THR H H 92 7.780 7.780 7.580 0.200 26068 1934 1 4 . 1 1 93 93 ASP N N 93 121.580 121.580 122.924 -1.344 26068 1935 1 4 . 1 1 93 93 ASP HA H 93 4.360 4.360 4.840 -0.480 26068 1936 1 4 . 1 1 93 93 ASP C C 93 178.020 178.020 175.303 2.717 26068 1937 1 4 . 1 1 93 93 ASP CA C 93 56.140 56.140 53.580 2.560 26068 1938 1 4 . 1 1 93 93 ASP CB C 93 38.730 38.730 41.912 -3.182 26068 1939 1 4 . 1 1 93 93 ASP H H 93 8.790 8.790 7.838 0.952 26068 1940 1 4 . 1 1 94 94 ALA N N 94 124.610 124.610 127.392 -2.782 26068 1941 1 4 . 1 1 94 94 ALA HA H 94 4.130 4.130 3.929 0.201 26068 1942 1 4 . 1 1 94 94 ALA C C 94 180.080 180.080 176.056 4.024 26068 1943 1 4 . 1 1 94 94 ALA CA C 94 54.120 54.120 53.232 0.888 26068 1944 1 4 . 1 1 94 94 ALA CB C 94 17.110 17.110 18.294 -1.184 26068 1945 1 4 . 1 1 94 94 ALA H H 94 8.050 8.050 8.270 -0.220 26068 1946 1 4 . 1 1 95 95 VAL N N 95 119.040 119.040 115.781 3.259 26068 1947 1 4 . 1 1 95 95 VAL HA H 95 3.650 3.650 4.213 -0.563 26068 1948 1 4 . 1 1 95 95 VAL C C 95 177.260 177.260 174.539 2.721 26068 1949 1 4 . 1 1 95 95 VAL CA C 95 65.350 65.350 62.420 2.930 26068 1950 1 4 . 1 1 95 95 VAL CB C 95 30.640 30.640 33.841 -3.201 26068 1951 1 4 . 1 1 95 95 VAL H H 95 8.110 8.110 7.669 0.441 26068 1952 1 4 . 1 1 96 96 ASP N N 96 119.550 119.550 125.332 -5.782 26068 1953 1 4 . 1 1 96 96 ASP HA H 96 4.460 4.460 4.351 0.109 26068 1954 1 4 . 1 1 96 96 ASP C C 96 176.710 176.710 176.268 0.442 26068 1955 1 4 . 1 1 96 96 ASP CA C 96 55.790 55.790 56.711 -0.921 26068 1956 1 4 . 1 1 96 96 ASP CB C 96 40.140 40.140 39.828 0.312 26068 1957 1 4 . 1 1 96 96 ASP H H 96 7.970 7.970 8.656 -0.686 26068 1958 1 4 . 1 1 97 97 SER N N 97 112.600 112.600 117.022 -4.422 26068 1959 1 4 . 1 1 97 97 SER HA H 97 4.420 4.420 4.335 0.085 26068 1960 1 4 . 1 1 97 97 SER CA C 97 58.290 58.290 59.727 -1.437 26068 1961 1 4 . 1 1 97 97 SER CB C 97 62.720 62.720 64.948 -2.228 26068 1962 1 4 . 1 1 97 97 SER H H 97 7.870 7.870 8.338 -0.468 26068 1963 1 4 . 1 1 98 98 HIS N N 98 122.580 122.580 121.430 1.150 26068 1964 1 4 . 1 1 98 98 HIS HA H 98 4.090 4.090 4.761 -0.671 26068 1965 1 4 . 1 1 98 98 HIS C C 98 173.400 173.400 172.902 0.498 26068 1966 1 4 . 1 1 98 98 HIS CA C 98 57.400 57.400 55.820 1.580 26068 1967 1 4 . 1 1 98 98 HIS CB C 98 29.810 29.810 31.215 -1.405 26068 1968 1 4 . 1 1 98 98 HIS H H 98 7.340 7.340 7.566 -0.226 26068 1969 1 5 . 1 1 2 2 ALA N N 2 125.690 125.690 127.553 -1.863 26068 1970 1 5 . 1 1 2 2 ALA C C 2 176.530 176.530 177.223 -0.693 26068 1971 1 5 . 1 1 2 2 ALA CA C 2 51.730 51.730 52.058 -0.328 26068 1972 1 5 . 1 1 2 2 ALA H H 2 8.250 8.250 8.419 -0.169 26068 1973 1 5 . 1 1 3 3 LYS N N 3 121.040 121.040 121.828 -0.788 26068 1974 1 5 . 1 1 3 3 LYS C C 3 175.520 175.520 176.160 -0.640 26068 1975 1 5 . 1 1 3 3 LYS CA C 3 55.230 55.230 55.958 -0.728 26068 1976 1 5 . 1 1 3 3 LYS H H 3 8.210 8.210 8.502 -0.292 26068 1977 1 5 . 1 1 4 4 ILE N N 4 122.490 122.490 121.824 0.666 26068 1978 1 5 . 1 1 4 4 ILE HA H 4 4.180 4.180 4.258 -0.078 26068 1979 1 5 . 1 1 4 4 ILE C C 4 174.950 174.950 175.899 -0.949 26068 1980 1 5 . 1 1 4 4 ILE CA C 4 59.870 59.870 60.822 -0.952 26068 1981 1 5 . 1 1 4 4 ILE H H 4 8.170 8.170 8.145 0.025 26068 1982 1 5 . 1 1 5 5 LYS N N 5 126.600 126.600 126.019 0.581 26068 1983 1 5 . 1 1 5 5 LYS C C 5 174.330 174.330 176.241 -1.911 26068 1984 1 5 . 1 1 5 5 LYS CA C 5 55.060 55.060 55.942 -0.882 26068 1985 1 5 . 1 1 5 5 LYS H H 5 8.320 8.320 8.399 -0.079 26068 1986 1 5 . 1 1 6 6 SER N N 6 118.400 118.400 120.868 -2.468 26068 1987 1 5 . 1 1 6 6 SER C C 6 174.220 174.220 174.081 0.139 26068 1988 1 5 . 1 1 6 6 SER CA C 6 56.300 56.300 59.068 -2.768 26068 1989 1 5 . 1 1 6 6 SER H H 6 8.200 8.200 8.556 -0.356 26068 1990 1 5 . 1 1 7 7 LEU N N 7 125.400 125.400 122.105 3.295 26068 1991 1 5 . 1 1 7 7 LEU C C 7 177.730 177.730 175.257 2.473 26068 1992 1 5 . 1 1 7 7 LEU CA C 7 54.950 54.950 54.755 0.195 26068 1993 1 5 . 1 1 7 7 LEU CB C 7 42.000 42.000 43.259 -1.259 26068 1994 1 5 . 1 1 7 7 LEU H H 7 9.050 9.050 8.390 0.660 26068 1995 1 5 . 1 1 8 8 SER N N 8 124.870 124.870 114.920 9.950 26068 1996 1 5 . 1 1 8 8 SER HA H 8 4.510 4.510 4.644 -0.134 26068 1997 1 5 . 1 1 8 8 SER C C 8 173.810 173.810 175.182 -1.372 26068 1998 1 5 . 1 1 8 8 SER CA C 8 56.740 56.740 58.290 -1.550 26068 1999 1 5 . 1 1 8 8 SER CB C 8 64.390 64.390 63.612 0.778 26068 2000 1 5 . 1 1 8 8 SER H H 8 9.140 9.140 8.555 0.585 26068 2001 1 5 . 1 1 9 9 ALA N N 9 124.340 124.340 124.681 -0.341 26068 2002 1 5 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.501 -0.101 26068 2003 1 5 . 1 1 9 9 ALA C C 9 178.940 178.940 179.438 -0.498 26068 2004 1 5 . 1 1 9 9 ALA CA C 9 54.940 54.940 54.034 0.906 26068 2005 1 5 . 1 1 9 9 ALA H H 9 8.710 8.710 8.413 0.297 26068 2006 1 5 . 1 1 10 10 ALA N N 10 117.990 117.990 122.103 -4.113 26068 2007 1 5 . 1 1 10 10 ALA C C 10 180.600 180.600 179.497 1.103 26068 2008 1 5 . 1 1 10 10 ALA CA C 10 54.380 54.380 54.615 -0.235 26068 2009 1 5 . 1 1 10 10 ALA CB C 10 17.240 17.240 18.354 -1.114 26068 2010 1 5 . 1 1 10 10 ALA H H 10 8.380 8.380 8.511 -0.131 26068 2011 1 5 . 1 1 11 11 GLU N N 11 118.900 118.900 118.650 0.250 26068 2012 1 5 . 1 1 11 11 GLU HA H 11 4.040 4.040 4.086 -0.046 26068 2013 1 5 . 1 1 11 11 GLU C C 11 177.770 177.770 178.764 -0.994 26068 2014 1 5 . 1 1 11 11 GLU CA C 11 58.210 58.210 58.604 -0.394 26068 2015 1 5 . 1 1 11 11 GLU CB C 11 29.310 29.310 29.340 -0.030 26068 2016 1 5 . 1 1 11 11 GLU H H 11 7.780 7.780 8.136 -0.356 26068 2017 1 5 . 1 1 12 12 TYR N N 12 125.590 125.590 121.242 4.348 26068 2018 1 5 . 1 1 12 12 TYR C C 12 179.280 179.280 177.323 1.957 26068 2019 1 5 . 1 1 12 12 TYR CA C 12 59.690 59.690 60.901 -1.211 26068 2020 1 5 . 1 1 12 12 TYR CB C 12 37.530 37.530 38.517 -0.987 26068 2021 1 5 . 1 1 12 12 TYR H H 12 8.800 8.800 7.637 1.163 26068 2022 1 5 . 1 1 13 13 LEU N N 13 118.240 118.240 118.178 0.062 26068 2023 1 5 . 1 1 13 13 LEU HA H 13 4.130 4.130 3.968 0.162 26068 2024 1 5 . 1 1 13 13 LEU C C 13 177.790 177.790 178.648 -0.858 26068 2025 1 5 . 1 1 13 13 LEU CA C 13 58.180 58.180 56.718 1.462 26068 2026 1 5 . 1 1 13 13 LEU CB C 13 41.290 41.290 41.209 0.081 26068 2027 1 5 . 1 1 13 13 LEU H H 13 8.770 8.770 8.042 0.728 26068 2028 1 5 . 1 1 14 14 LYS N N 14 118.870 118.870 118.148 0.722 26068 2029 1 5 . 1 1 14 14 LYS HA H 14 3.980 3.980 4.102 -0.122 26068 2030 1 5 . 1 1 14 14 LYS C C 14 177.090 177.090 177.213 -0.123 26068 2031 1 5 . 1 1 14 14 LYS CA C 14 58.610 58.610 58.283 0.327 26068 2032 1 5 . 1 1 14 14 LYS CB C 14 31.220 31.220 32.271 -1.051 26068 2033 1 5 . 1 1 14 14 LYS H H 14 7.790 7.790 7.366 0.424 26068 2034 1 5 . 1 1 15 15 GLU N N 15 119.560 119.560 117.962 1.598 26068 2035 1 5 . 1 1 15 15 GLU HA H 15 4.050 4.050 4.310 -0.260 26068 2036 1 5 . 1 1 15 15 GLU C C 15 179.660 179.660 176.229 3.431 26068 2037 1 5 . 1 1 15 15 GLU CA C 15 59.260 59.260 56.294 2.966 26068 2038 1 5 . 1 1 15 15 GLU CB C 15 28.010 28.010 29.870 -1.860 26068 2039 1 5 . 1 1 15 15 GLU H H 15 8.330 8.330 7.518 0.812 26068 2040 1 5 . 1 1 16 16 MET N N 16 116.760 116.760 118.713 -1.953 26068 2041 1 5 . 1 1 16 16 MET HA H 16 4.420 4.420 4.527 -0.107 26068 2042 1 5 . 1 1 16 16 MET C C 16 178.960 178.960 176.419 2.541 26068 2043 1 5 . 1 1 16 16 MET CA C 16 58.200 58.200 55.634 2.566 26068 2044 1 5 . 1 1 16 16 MET CB C 16 34.370 34.370 33.001 1.369 26068 2045 1 5 . 1 1 16 16 MET H H 16 7.940 7.940 7.348 0.592 26068 2046 1 5 . 1 1 17 17 ALA N N 17 128.000 128.000 122.448 5.552 26068 2047 1 5 . 1 1 17 17 ALA HA H 17 4.210 4.210 4.104 0.106 26068 2048 1 5 . 1 1 17 17 ALA C C 17 179.620 179.620 177.611 2.009 26068 2049 1 5 . 1 1 17 17 ALA CA C 17 54.760 54.760 53.997 0.763 26068 2050 1 5 . 1 1 17 17 ALA CB C 17 17.750 17.750 18.076 -0.326 26068 2051 1 5 . 1 1 17 17 ALA H H 17 8.820 8.820 8.122 0.698 26068 2052 1 5 . 1 1 18 18 ASP N N 18 119.660 119.660 116.660 3.000 26068 2053 1 5 . 1 1 18 18 ASP HA H 18 4.420 4.420 4.585 -0.165 26068 2054 1 5 . 1 1 18 18 ASP C C 18 177.750 177.750 176.441 1.309 26068 2055 1 5 . 1 1 18 18 ASP CA C 18 55.790 55.790 55.149 0.641 26068 2056 1 5 . 1 1 18 18 ASP CB C 18 38.980 38.980 40.873 -1.893 26068 2057 1 5 . 1 1 18 18 ASP H H 18 8.770 8.770 8.152 0.618 26068 2058 1 5 . 1 1 19 19 GLU N N 19 117.150 117.150 119.902 -2.752 26068 2059 1 5 . 1 1 19 19 GLU HA H 19 4.190 4.190 4.533 -0.343 26068 2060 1 5 . 1 1 19 19 GLU C C 19 177.540 177.540 175.052 2.488 26068 2061 1 5 . 1 1 19 19 GLU CA C 19 57.750 57.750 56.931 0.819 26068 2062 1 5 . 1 1 19 19 GLU CB C 19 29.360 29.360 30.126 -0.766 26068 2063 1 5 . 1 1 19 19 GLU H H 19 7.620 7.620 8.152 -0.532 26068 2064 1 5 . 1 1 20 20 THR N N 20 105.730 105.730 112.788 -7.058 26068 2065 1 5 . 1 1 20 20 THR HA H 20 4.120 4.120 4.903 -0.783 26068 2066 1 5 . 1 1 20 20 THR C C 20 174.800 174.800 173.900 0.900 26068 2067 1 5 . 1 1 20 20 THR CA C 20 62.200 62.200 60.932 1.268 26068 2068 1 5 . 1 1 20 20 THR CB C 20 70.870 70.870 68.916 1.954 26068 2069 1 5 . 1 1 20 20 THR H H 20 7.900 7.900 8.323 -0.423 26068 2070 1 5 . 1 1 21 21 ASN N N 21 116.950 116.950 120.724 -3.774 26068 2071 1 5 . 1 1 21 21 ASN HA H 21 4.390 4.390 4.769 -0.379 26068 2072 1 5 . 1 1 21 21 ASN C C 21 173.060 173.060 176.271 -3.211 26068 2073 1 5 . 1 1 21 21 ASN CA C 21 54.210 54.210 52.980 1.230 26068 2074 1 5 . 1 1 21 21 ASN CB C 21 36.870 36.870 38.387 -1.517 26068 2075 1 5 . 1 1 21 21 ASN H H 21 8.460 8.460 8.328 0.132 26068 2076 1 5 . 1 1 22 22 ILE N N 22 121.830 121.830 116.280 5.550 26068 2077 1 5 . 1 1 22 22 ILE HA H 22 4.140 4.140 4.456 -0.316 26068 2078 1 5 . 1 1 22 22 ILE C C 22 174.780 174.780 175.122 -0.342 26068 2079 1 5 . 1 1 22 22 ILE CA C 22 59.100 59.100 61.899 -2.799 26068 2080 1 5 . 1 1 22 22 ILE CB C 22 37.060 37.060 38.182 -1.122 26068 2081 1 5 . 1 1 22 22 ILE H H 22 7.680 7.680 8.072 -0.392 26068 2082 1 5 . 1 1 23 23 LYS N N 23 124.750 124.750 118.438 6.312 26068 2083 1 5 . 1 1 23 23 LYS HA H 23 4.140 4.140 4.530 -0.390 26068 2084 1 5 . 1 1 23 23 LYS C C 23 178.550 178.550 174.270 4.280 26068 2085 1 5 . 1 1 23 23 LYS CA C 23 55.940 55.940 55.174 0.766 26068 2086 1 5 . 1 1 23 23 LYS CB C 23 31.670 31.670 35.226 -3.556 26068 2087 1 5 . 1 1 23 23 LYS H H 23 8.510 8.510 7.280 1.230 26068 2088 1 5 . 1 1 24 24 VAL N N 24 122.570 122.570 120.729 1.841 26068 2089 1 5 . 1 1 24 24 VAL C C 24 176.350 176.350 175.207 1.143 26068 2090 1 5 . 1 1 24 24 VAL CA C 24 66.090 66.090 64.187 1.903 26068 2091 1 5 . 1 1 24 24 VAL CB C 24 30.640 30.640 33.766 -3.126 26068 2092 1 5 . 1 1 24 24 VAL H H 24 8.800 8.800 8.775 0.025 26068 2093 1 5 . 1 1 25 25 GLN N N 25 117.730 117.730 118.201 -0.471 26068 2094 1 5 . 1 1 25 25 GLN C C 25 177.420 177.420 177.590 -0.170 26068 2095 1 5 . 1 1 25 25 GLN CA C 25 58.500 58.500 57.509 0.991 26068 2096 1 5 . 1 1 25 25 GLN CB C 25 26.800 26.800 28.873 -2.073 26068 2097 1 5 . 1 1 25 25 GLN H H 25 8.950 8.950 8.345 0.605 26068 2098 1 5 . 1 1 26 26 ASP N N 26 120.360 120.360 121.553 -1.193 26068 2099 1 5 . 1 1 26 26 ASP HA H 26 4.610 4.610 4.516 0.094 26068 2100 1 5 . 1 1 26 26 ASP C C 26 177.320 177.320 178.255 -0.935 26068 2101 1 5 . 1 1 26 26 ASP CA C 26 55.980 55.980 56.638 -0.658 26068 2102 1 5 . 1 1 26 26 ASP CB C 26 39.240 39.240 40.157 -0.917 26068 2103 1 5 . 1 1 26 26 ASP H H 26 7.100 7.100 8.706 -1.606 26068 2104 1 5 . 1 1 27 27 ILE N N 27 120.730 120.730 119.538 1.192 26068 2105 1 5 . 1 1 27 27 ILE C C 27 177.470 177.470 177.460 0.010 26068 2106 1 5 . 1 1 27 27 ILE CA C 27 65.110 65.110 63.686 1.424 26068 2107 1 5 . 1 1 27 27 ILE CB C 27 35.840 35.840 37.039 -1.199 26068 2108 1 5 . 1 1 27 27 ILE H H 27 7.950 7.950 8.103 -0.153 26068 2109 1 5 . 1 1 28 28 ARG N N 28 118.340 118.340 119.387 -1.047 26068 2110 1 5 . 1 1 28 28 ARG C C 28 178.150 178.150 178.550 -0.400 26068 2111 1 5 . 1 1 28 28 ARG CA C 28 59.040 59.040 59.434 -0.394 26068 2112 1 5 . 1 1 28 28 ARG CB C 28 28.910 28.910 30.028 -1.118 26068 2113 1 5 . 1 1 28 28 ARG H H 28 8.640 8.640 7.565 1.075 26068 2114 1 5 . 1 1 29 29 LEU N N 29 119.800 119.800 118.890 0.910 26068 2115 1 5 . 1 1 29 29 LEU HA H 29 4.050 4.050 4.203 -0.153 26068 2116 1 5 . 1 1 29 29 LEU C C 29 178.970 178.970 178.369 0.601 26068 2117 1 5 . 1 1 29 29 LEU CA C 29 57.150 57.150 57.488 -0.338 26068 2118 1 5 . 1 1 29 29 LEU CB C 29 40.840 40.840 41.780 -0.940 26068 2119 1 5 . 1 1 29 29 LEU H H 29 7.340 7.340 7.993 -0.653 26068 2120 1 5 . 1 1 30 30 VAL N N 30 120.200 120.200 119.720 0.480 26068 2121 1 5 . 1 1 30 30 VAL HA H 30 3.410 3.410 3.742 -0.332 26068 2122 1 5 . 1 1 30 30 VAL C C 30 176.580 176.580 177.863 -1.283 26068 2123 1 5 . 1 1 30 30 VAL CA C 30 66.490 66.490 65.756 0.734 26068 2124 1 5 . 1 1 30 30 VAL CB C 30 30.390 30.390 31.355 -0.965 26068 2125 1 5 . 1 1 30 30 VAL H H 30 7.930 7.930 7.148 0.782 26068 2126 1 5 . 1 1 31 31 VAL N N 31 119.110 119.110 119.811 -0.701 26068 2127 1 5 . 1 1 31 31 VAL HA H 31 3.210 3.210 3.590 -0.380 26068 2128 1 5 . 1 1 31 31 VAL C C 31 177.750 177.750 178.096 -0.346 26068 2129 1 5 . 1 1 31 31 VAL CA C 31 66.040 66.040 66.644 -0.604 26068 2130 1 5 . 1 1 31 31 VAL CB C 31 29.870 29.870 31.474 -1.604 26068 2131 1 5 . 1 1 31 31 VAL H H 31 8.520 8.520 7.789 0.731 26068 2132 1 5 . 1 1 32 32 THR N N 32 118.400 118.400 113.976 4.424 26068 2133 1 5 . 1 1 32 32 THR C C 32 175.680 175.680 175.944 -0.264 26068 2134 1 5 . 1 1 32 32 THR CA C 32 66.440 66.440 65.999 0.441 26068 2135 1 5 . 1 1 32 32 THR CB C 32 67.470 67.470 68.476 -1.006 26068 2136 1 5 . 1 1 32 32 THR H H 32 8.220 8.220 7.773 0.447 26068 2137 1 5 . 1 1 33 33 SER N N 33 118.470 118.470 117.792 0.678 26068 2138 1 5 . 1 1 33 33 SER HA H 33 4.330 4.330 4.236 0.094 26068 2139 1 5 . 1 1 33 33 SER C C 33 175.560 175.560 175.992 -0.432 26068 2140 1 5 . 1 1 33 33 SER CA C 33 60.860 60.860 61.602 -0.743 26068 2141 1 5 . 1 1 33 33 SER CB C 33 62.720 62.720 62.897 -0.177 26068 2142 1 5 . 1 1 33 33 SER H H 33 7.820 7.820 7.823 -0.003 26068 2143 1 5 . 1 1 34 34 LEU N N 34 120.790 120.790 122.175 -1.385 26068 2144 1 5 . 1 1 34 34 LEU C C 34 180.120 180.120 178.795 1.325 26068 2145 1 5 . 1 1 34 34 LEU CA C 34 58.680 58.680 57.500 1.180 26068 2146 1 5 . 1 1 34 34 LEU CB C 34 41.870 41.870 41.665 0.205 26068 2147 1 5 . 1 1 34 34 LEU H H 34 8.940 8.940 7.456 1.484 26068 2148 1 5 . 1 1 35 35 GLN N N 35 117.680 117.680 118.257 -0.577 26068 2149 1 5 . 1 1 35 35 GLN HA H 35 3.800 3.800 3.939 -0.139 26068 2150 1 5 . 1 1 35 35 GLN C C 35 176.160 176.160 178.583 -2.423 26068 2151 1 5 . 1 1 35 35 GLN CA C 35 58.910 58.910 58.452 0.458 26068 2152 1 5 . 1 1 35 35 GLN CB C 35 29.040 29.040 27.756 1.284 26068 2153 1 5 . 1 1 35 35 GLN H H 35 7.670 7.670 8.299 -0.629 26068 2154 1 5 . 1 1 36 36 LYS N N 36 124.070 124.070 118.970 5.100 26068 2155 1 5 . 1 1 36 36 LYS HA H 36 4.000 4.000 4.156 -0.156 26068 2156 1 5 . 1 1 36 36 LYS C C 36 178.720 178.720 178.966 -0.246 26068 2157 1 5 . 1 1 36 36 LYS CA C 36 59.100 59.100 58.936 0.164 26068 2158 1 5 . 1 1 36 36 LYS CB C 36 31.480 31.480 32.464 -0.984 26068 2159 1 5 . 1 1 36 36 LYS H H 36 8.100 8.100 7.551 0.549 26068 2160 1 5 . 1 1 37 37 VAL N N 37 120.470 120.470 119.434 1.036 26068 2161 1 5 . 1 1 37 37 VAL HA H 37 3.420 3.420 3.717 -0.297 26068 2162 1 5 . 1 1 37 37 VAL C C 37 176.250 176.250 177.338 -1.088 26068 2163 1 5 . 1 1 37 37 VAL CA C 37 65.610 65.610 65.309 0.301 26068 2164 1 5 . 1 1 37 37 VAL H H 37 8.560 8.560 7.171 1.389 26068 2165 1 5 . 1 1 38 38 LEU N N 38 119.990 119.990 121.091 -1.101 26068 2166 1 5 . 1 1 38 38 LEU C C 38 176.920 176.920 178.428 -1.508 26068 2167 1 5 . 1 1 38 38 LEU CA C 38 57.720 57.720 58.028 -0.308 26068 2168 1 5 . 1 1 38 38 LEU CB C 38 41.040 41.040 41.074 -0.034 26068 2169 1 5 . 1 1 38 38 LEU H H 38 7.120 7.120 7.488 -0.368 26068 2170 1 5 . 1 1 39 39 ALA N N 39 117.870 117.870 120.474 -2.604 26068 2171 1 5 . 1 1 39 39 ALA HA H 39 3.780 3.780 3.848 -0.068 26068 2172 1 5 . 1 1 39 39 ALA C C 39 177.770 177.770 179.848 -2.078 26068 2173 1 5 . 1 1 39 39 ALA CA C 39 53.910 53.910 55.137 -1.227 26068 2174 1 5 . 1 1 39 39 ALA CB C 39 17.370 17.370 18.008 -0.637 26068 2175 1 5 . 1 1 39 39 ALA H H 39 7.540 7.540 7.802 -0.262 26068 2176 1 5 . 1 1 40 40 LYS N N 40 117.340 117.340 118.291 -0.951 26068 2177 1 5 . 1 1 40 40 LYS HA H 40 3.220 3.220 4.077 -0.857 26068 2178 1 5 . 1 1 40 40 LYS C C 40 179.390 179.390 178.890 0.500 26068 2179 1 5 . 1 1 40 40 LYS CA C 40 58.170 58.170 59.269 -1.099 26068 2180 1 5 . 1 1 40 40 LYS CB C 40 29.750 29.750 32.522 -2.772 26068 2181 1 5 . 1 1 40 40 LYS H H 40 7.760 7.760 7.550 0.210 26068 2182 1 5 . 1 1 41 41 GLU N N 41 119.510 119.510 121.458 -1.948 26068 2183 1 5 . 1 1 41 41 GLU HA H 41 3.900 3.900 4.185 -0.285 26068 2184 1 5 . 1 1 41 41 GLU C C 41 179.390 179.390 179.021 0.369 26068 2185 1 5 . 1 1 41 41 GLU CA C 41 57.850 57.850 58.624 -0.774 26068 2186 1 5 . 1 1 41 41 GLU CB C 41 28.720 28.720 29.367 -0.647 26068 2187 1 5 . 1 1 41 41 GLU H H 41 8.810 8.810 7.707 1.103 26068 2188 1 5 . 1 1 42 42 LEU N N 42 120.430 120.430 118.929 1.501 26068 2189 1 5 . 1 1 42 42 LEU HA H 42 3.670 3.670 4.543 -0.873 26068 2190 1 5 . 1 1 42 42 LEU C C 42 176.370 176.370 179.446 -3.076 26068 2191 1 5 . 1 1 42 42 LEU CA C 42 57.650 57.650 57.225 0.425 26068 2192 1 5 . 1 1 42 42 LEU CB C 42 41.040 41.040 42.003 -0.963 26068 2193 1 5 . 1 1 42 42 LEU H H 42 8.200 8.200 8.627 -0.427 26068 2194 1 5 . 1 1 43 43 ALA N N 43 117.000 117.000 119.052 -2.052 26068 2195 1 5 . 1 1 43 43 ALA HA H 43 4.030 4.030 4.259 -0.229 26068 2196 1 5 . 1 1 43 43 ALA C C 43 177.510 177.510 178.031 -0.521 26068 2197 1 5 . 1 1 43 43 ALA CA C 43 53.130 53.130 53.709 -0.579 26068 2198 1 5 . 1 1 43 43 ALA CB C 43 19.230 19.230 18.811 0.419 26068 2199 1 5 . 1 1 43 43 ALA H H 43 7.850 7.850 7.525 0.325 26068 2200 1 5 . 1 1 44 44 THR N N 44 107.520 107.520 109.150 -1.630 26068 2201 1 5 . 1 1 44 44 THR HA H 44 4.370 4.370 4.386 -0.016 26068 2202 1 5 . 1 1 44 44 THR C C 44 174.160 174.160 175.061 -0.901 26068 2203 1 5 . 1 1 44 44 THR CA C 44 61.030 61.030 61.056 -0.027 26068 2204 1 5 . 1 1 44 44 THR CB C 44 69.200 69.200 69.416 -0.216 26068 2205 1 5 . 1 1 44 44 THR H H 44 7.570 7.570 7.256 0.314 26068 2206 1 5 . 1 1 45 45 THR N N 45 120.020 120.020 115.579 4.441 26068 2207 1 5 . 1 1 45 45 THR HA H 45 4.170 4.170 4.021 0.149 26068 2208 1 5 . 1 1 45 45 THR C C 45 175.160 175.160 174.120 1.040 26068 2209 1 5 . 1 1 45 45 THR CA C 45 63.160 63.160 64.026 -0.866 26068 2210 1 5 . 1 1 45 45 THR CB C 45 68.750 68.750 67.168 1.582 26068 2211 1 5 . 1 1 45 45 THR H H 45 8.690 8.690 7.812 0.878 26068 2212 1 5 . 1 1 46 46 GLY N N 46 108.110 108.110 108.546 -0.436 26068 2213 1 5 . 1 1 46 46 GLY C C 46 171.890 171.890 172.301 -0.411 26068 2214 1 5 . 1 1 46 46 GLY CA C 46 44.600 44.600 44.168 0.432 26068 2215 1 5 . 1 1 46 46 GLY H H 46 8.300 8.300 7.910 0.390 26068 2216 1 5 . 1 1 47 47 GLU N N 47 115.320 115.320 124.806 -9.486 26068 2217 1 5 . 1 1 47 47 GLU HA H 47 5.330 5.330 4.472 0.858 26068 2218 1 5 . 1 1 47 47 GLU C C 47 173.280 173.280 175.940 -2.660 26068 2219 1 5 . 1 1 47 47 GLU CA C 47 54.060 54.060 55.874 -1.814 26068 2220 1 5 . 1 1 47 47 GLU CB C 47 32.280 32.280 30.680 1.600 26068 2221 1 5 . 1 1 47 47 GLU H H 47 7.210 7.210 8.573 -1.363 26068 2222 1 5 . 1 1 48 48 VAL N N 48 118.460 118.460 129.016 -10.556 26068 2223 1 5 . 1 1 48 48 VAL HA H 48 4.450 4.450 4.336 0.114 26068 2224 1 5 . 1 1 48 48 VAL C C 48 171.500 171.500 174.944 -3.444 26068 2225 1 5 . 1 1 48 48 VAL CA C 48 60.080 60.080 60.999 -0.919 26068 2226 1 5 . 1 1 48 48 VAL CB C 48 32.510 32.510 31.528 0.982 26068 2227 1 5 . 1 1 48 48 VAL H H 48 8.810 8.810 8.174 0.636 26068 2228 1 5 . 1 1 49 49 ARG N N 49 129.960 129.960 127.768 2.192 26068 2229 1 5 . 1 1 49 49 ARG HA H 49 4.700 4.700 4.457 0.243 26068 2230 1 5 . 1 1 49 49 ARG C C 49 173.520 173.520 176.105 -2.585 26068 2231 1 5 . 1 1 49 49 ARG CA C 49 54.960 54.960 56.308 -1.348 26068 2232 1 5 . 1 1 49 49 ARG CB C 49 29.170 29.170 31.124 -1.954 26068 2233 1 5 . 1 1 49 49 ARG H H 49 9.510 9.510 8.656 0.854 26068 2234 1 5 . 1 1 50 50 LEU N N 50 129.550 129.550 126.459 3.091 26068 2235 1 5 . 1 1 50 50 LEU HA H 50 4.440 4.440 4.709 -0.269 26068 2236 1 5 . 1 1 50 50 LEU C C 50 171.890 171.890 175.536 -3.646 26068 2237 1 5 . 1 1 50 50 LEU CA C 50 51.100 51.100 53.507 -2.407 26068 2238 1 5 . 1 1 50 50 LEU CB C 50 41.740 41.740 43.042 -1.302 26068 2239 1 5 . 1 1 50 50 LEU H H 50 8.960 8.960 9.265 -0.305 26068 2240 1 5 . 1 1 51 51 PHE N N 51 122.720 122.720 124.712 -1.992 26068 2241 1 5 . 1 1 51 51 PHE HA H 51 3.750 3.750 4.311 -0.561 26068 2242 1 5 . 1 1 51 51 PHE C C 51 173.520 173.520 176.123 -2.603 26068 2243 1 5 . 1 1 51 51 PHE CA C 51 59.750 59.750 59.797 -0.047 26068 2244 1 5 . 1 1 51 51 PHE CB C 51 36.610 36.610 39.252 -2.642 26068 2245 1 5 . 1 1 51 51 PHE H H 51 7.960 7.960 8.502 -0.542 26068 2246 1 5 . 1 1 52 52 ASP N N 52 122.670 122.670 123.691 -1.021 26068 2247 1 5 . 1 1 52 52 ASP HA H 52 5.070 5.070 3.927 1.143 26068 2248 1 5 . 1 1 52 52 ASP C C 52 175.160 175.160 174.852 0.308 26068 2249 1 5 . 1 1 52 52 ASP CA C 52 53.380 53.380 54.689 -1.309 26068 2250 1 5 . 1 1 52 52 ASP CB C 52 39.950 39.950 38.834 1.116 26068 2251 1 5 . 1 1 52 52 ASP H H 52 8.690 8.690 7.830 0.860 26068 2252 1 5 . 1 1 53 53 ILE N N 53 121.190 121.190 119.499 1.691 26068 2253 1 5 . 1 1 53 53 ILE HA H 53 3.980 3.980 4.112 -0.132 26068 2254 1 5 . 1 1 53 53 ILE C C 53 174.950 174.950 175.651 -0.701 26068 2255 1 5 . 1 1 53 53 ILE CA C 53 63.530 63.530 62.893 0.637 26068 2256 1 5 . 1 1 53 53 ILE CB C 53 37.000 37.000 38.973 -1.973 26068 2257 1 5 . 1 1 53 53 ILE H H 53 8.710 8.710 7.946 0.764 26068 2258 1 5 . 1 1 54 54 GLY N N 54 101.400 101.400 106.028 -4.628 26068 2259 1 5 . 1 1 54 54 GLY C C 54 169.840 169.840 171.708 -1.868 26068 2260 1 5 . 1 1 54 54 GLY CA C 54 43.740 43.740 44.414 -0.674 26068 2261 1 5 . 1 1 54 54 GLY H H 54 6.690 6.690 7.776 -1.086 26068 2262 1 5 . 1 1 55 55 LYS N N 55 119.440 119.440 118.525 0.915 26068 2263 1 5 . 1 1 55 55 LYS HA H 55 4.930 4.930 5.486 -0.556 26068 2264 1 5 . 1 1 55 55 LYS C C 55 174.340 174.340 175.322 -0.982 26068 2265 1 5 . 1 1 55 55 LYS CA C 55 54.190 54.190 54.121 0.069 26068 2266 1 5 . 1 1 55 55 LYS CB C 55 33.660 33.660 36.512 -2.852 26068 2267 1 5 . 1 1 55 55 LYS H H 55 8.110 8.110 8.199 -0.089 26068 2268 1 5 . 1 1 56 56 PHE N N 56 128.540 128.540 122.855 5.685 26068 2269 1 5 . 1 1 56 56 PHE HA H 56 5.170 5.170 4.744 0.426 26068 2270 1 5 . 1 1 56 56 PHE C C 56 174.040 174.040 175.105 -1.065 26068 2271 1 5 . 1 1 56 56 PHE CA C 56 56.140 56.140 57.726 -1.586 26068 2272 1 5 . 1 1 56 56 PHE CB C 56 41.100 41.100 39.688 1.412 26068 2273 1 5 . 1 1 56 56 PHE H H 56 9.420 9.420 8.946 0.474 26068 2274 1 5 . 1 1 57 57 LYS N N 57 120.820 120.820 125.646 -4.826 26068 2275 1 5 . 1 1 57 57 LYS HA H 57 5.030 5.030 4.688 0.342 26068 2276 1 5 . 1 1 57 57 LYS C C 57 173.280 173.280 174.793 -1.513 26068 2277 1 5 . 1 1 57 57 LYS CA C 57 54.190 54.190 55.278 -1.088 26068 2278 1 5 . 1 1 57 57 LYS CB C 57 36.420 36.420 34.504 1.916 26068 2279 1 5 . 1 1 57 57 LYS H H 57 9.060 9.060 8.339 0.721 26068 2280 1 5 . 1 1 58 58 LEU N N 58 125.690 125.690 125.667 0.023 26068 2281 1 5 . 1 1 58 58 LEU HA H 58 4.950 4.950 5.332 -0.382 26068 2282 1 5 . 1 1 58 58 LEU C C 58 175.180 175.180 177.125 -1.945 26068 2283 1 5 . 1 1 58 58 LEU CA C 58 52.890 52.890 53.967 -1.077 26068 2284 1 5 . 1 1 58 58 LEU CB C 58 42.320 42.320 43.534 -1.214 26068 2285 1 5 . 1 1 58 58 LEU H H 58 8.420 8.420 8.553 -0.133 26068 2286 1 5 . 1 1 59 59 VAL N N 59 125.770 125.770 118.873 6.897 26068 2287 1 5 . 1 1 59 59 VAL HA H 59 4.540 4.540 4.721 -0.181 26068 2288 1 5 . 1 1 59 59 VAL C C 59 174.690 174.690 174.255 0.435 26068 2289 1 5 . 1 1 59 59 VAL CA C 59 59.780 59.780 60.059 -0.279 26068 2290 1 5 . 1 1 59 59 VAL CB C 59 32.950 32.950 35.688 -2.738 26068 2291 1 5 . 1 1 59 59 VAL H H 59 9.260 9.260 8.910 0.350 26068 2292 1 5 . 1 1 60 60 THR N N 60 119.180 119.180 118.645 0.535 26068 2293 1 5 . 1 1 60 60 THR C C 60 174.250 174.250 174.449 -0.199 26068 2294 1 5 . 1 1 60 60 THR CA C 60 60.740 60.740 60.744 -0.004 26068 2295 1 5 . 1 1 60 60 THR CB C 60 65.260 65.260 69.280 -4.020 26068 2296 1 5 . 1 1 60 60 THR H H 60 8.480 8.480 8.243 0.237 26068 2297 1 5 . 1 1 61 61 THR N N 61 117.840 117.840 119.578 -1.738 26068 2298 1 5 . 1 1 61 61 THR C C 61 173.550 173.550 174.418 -0.868 26068 2299 1 5 . 1 1 61 61 THR CA C 61 59.290 59.290 61.062 -1.772 26068 2300 1 5 . 1 1 61 61 THR H H 61 8.610 8.610 8.814 -0.204 26068 2301 1 5 . 1 1 62 62 LYS N N 62 122.610 122.610 124.005 -1.395 26068 2302 1 5 . 1 1 62 62 LYS HA H 62 4.480 4.480 4.608 -0.128 26068 2303 1 5 . 1 1 62 62 LYS CA C 62 53.750 53.750 54.479 -0.729 26068 2304 1 5 . 1 1 62 62 LYS H H 62 8.380 8.380 8.471 -0.091 26068 2305 1 5 . 1 1 63 63 PRO C C 63 176.780 176.780 176.139 0.641 26068 2306 1 5 . 1 1 64 64 ARG N N 64 116.830 116.830 116.269 0.561 26068 2307 1 5 . 1 1 64 64 ARG C C 64 177.070 177.070 174.297 2.773 26068 2308 1 5 . 1 1 64 64 ARG CA C 64 57.230 57.230 55.352 1.878 26068 2309 1 5 . 1 1 64 64 ARG H H 64 8.130 8.130 8.606 -0.476 26068 2310 1 5 . 1 1 65 65 THR N N 65 127.240 127.240 115.303 11.937 26068 2311 1 5 . 1 1 65 65 THR C C 65 173.780 173.780 173.631 0.149 26068 2312 1 5 . 1 1 65 65 THR CA C 65 60.680 60.680 59.993 0.687 26068 2313 1 5 . 1 1 65 65 THR H H 65 7.370 7.370 8.365 -0.995 26068 2314 1 5 . 1 1 66 66 GLY N N 66 112.840 112.840 113.895 -1.055 26068 2315 1 5 . 1 1 66 66 GLY C C 66 171.630 171.630 172.136 -0.506 26068 2316 1 5 . 1 1 66 66 GLY CA C 66 43.610 43.610 43.465 0.145 26068 2317 1 5 . 1 1 66 66 GLY H H 66 8.760 8.760 8.917 -0.157 26068 2318 1 5 . 1 1 67 67 ILE N N 67 119.560 119.560 119.069 0.491 26068 2319 1 5 . 1 1 67 67 ILE C C 67 175.110 175.110 175.272 -0.162 26068 2320 1 5 . 1 1 67 67 ILE CA C 67 58.220 58.220 60.199 -1.979 26068 2321 1 5 . 1 1 67 67 ILE H H 67 8.310 8.310 8.280 0.030 26068 2322 1 5 . 1 1 68 68 ASN N N 68 127.190 127.190 124.282 2.908 26068 2323 1 5 . 1 1 68 68 ASN CA C 68 49.840 49.840 52.183 -2.343 26068 2324 1 5 . 1 1 68 68 ASN H H 68 8.750 8.750 8.241 0.509 26068 2325 1 5 . 1 1 70 70 LYS N N 70 128.540 128.540 119.012 9.528 26068 2326 1 5 . 1 1 70 70 LYS HA H 70 4.530 4.530 4.371 0.159 26068 2327 1 5 . 1 1 70 70 LYS CA C 70 57.270 57.270 57.048 0.222 26068 2328 1 5 . 1 1 70 70 LYS H H 70 8.870 8.870 8.565 0.305 26068 2329 1 5 . 1 1 71 71 THR C C 71 174.770 174.770 173.943 0.827 26068 2330 1 5 . 1 1 71 71 THR CA C 71 60.650 60.650 60.062 0.588 26068 2331 1 5 . 1 1 72 72 LYS N N 72 116.540 116.540 119.742 -3.202 26068 2332 1 5 . 1 1 72 72 LYS C C 72 174.500 174.500 176.396 -1.896 26068 2333 1 5 . 1 1 72 72 LYS CA C 72 56.710 56.710 56.629 0.081 26068 2334 1 5 . 1 1 72 72 LYS H H 72 8.450 8.450 8.311 0.139 26068 2335 1 5 . 1 1 73 73 GLN N N 73 117.620 117.620 120.367 -2.747 26068 2336 1 5 . 1 1 73 73 GLN HA H 73 4.200 4.200 4.158 0.042 26068 2337 1 5 . 1 1 73 73 GLN C C 73 174.700 174.700 175.671 -0.971 26068 2338 1 5 . 1 1 73 73 GLN CA C 73 54.250 54.250 56.404 -2.154 26068 2339 1 5 . 1 1 73 73 GLN H H 73 7.600 7.600 7.810 -0.210 26068 2340 1 5 . 1 1 74 74 LYS N N 74 122.530 122.530 123.538 -1.008 26068 2341 1 5 . 1 1 74 74 LYS C C 74 175.840 175.840 176.724 -0.884 26068 2342 1 5 . 1 1 74 74 LYS CA C 74 55.900 55.900 56.533 -0.633 26068 2343 1 5 . 1 1 74 74 LYS H H 74 8.500 8.500 8.351 0.149 26068 2344 1 5 . 1 1 75 75 ILE N N 75 121.120 121.120 124.611 -3.491 26068 2345 1 5 . 1 1 75 75 ILE HA H 75 4.440 4.440 4.386 0.054 26068 2346 1 5 . 1 1 75 75 ILE C C 75 174.000 174.000 174.691 -0.691 26068 2347 1 5 . 1 1 75 75 ILE CA C 75 58.750 58.750 60.310 -1.560 26068 2348 1 5 . 1 1 75 75 ILE H H 75 8.480 8.480 8.920 -0.440 26068 2349 1 5 . 1 1 76 76 GLN N N 76 123.280 123.280 124.145 -0.865 26068 2350 1 5 . 1 1 76 76 GLN C C 76 174.000 174.000 174.993 -0.993 26068 2351 1 5 . 1 1 76 76 GLN CA C 76 54.220 54.220 54.135 0.086 26068 2352 1 5 . 1 1 76 76 GLN H H 76 8.510 8.510 8.569 -0.059 26068 2353 1 5 . 1 1 77 77 ILE N N 77 115.590 115.590 126.590 -11.000 26068 2354 1 5 . 1 1 77 77 ILE CA C 77 60.710 60.710 58.682 2.028 26068 2355 1 5 . 1 1 77 77 ILE H H 77 8.420 8.420 8.859 -0.439 26068 2356 1 5 . 1 1 78 78 PRO C C 78 176.070 176.070 175.850 0.220 26068 2357 1 5 . 1 1 79 79 ALA N N 79 123.150 123.150 123.055 0.095 26068 2358 1 5 . 1 1 79 79 ALA HA H 79 3.990 3.990 4.386 -0.396 26068 2359 1 5 . 1 1 79 79 ALA C C 79 176.740 176.740 177.058 -0.318 26068 2360 1 5 . 1 1 79 79 ALA CA C 79 51.670 51.670 51.964 -0.294 26068 2361 1 5 . 1 1 79 79 ALA CB C 79 18.710 18.710 19.676 -0.966 26068 2362 1 5 . 1 1 79 79 ALA H H 79 8.490 8.490 8.329 0.161 26068 2363 1 5 . 1 1 80 80 GLY N N 80 109.540 109.540 110.021 -0.481 26068 2364 1 5 . 1 1 80 80 GLY C C 80 172.350 172.350 172.412 -0.062 26068 2365 1 5 . 1 1 80 80 GLY CA C 80 43.650 43.650 44.276 -0.626 26068 2366 1 5 . 1 1 80 80 GLY H H 80 7.960 7.960 8.285 -0.325 26068 2367 1 5 . 1 1 81 81 LYS N N 81 120.310 120.310 116.884 3.426 26068 2368 1 5 . 1 1 81 81 LYS C C 81 174.920 174.920 174.811 0.109 26068 2369 1 5 . 1 1 81 81 LYS CA C 81 54.330 54.330 55.280 -0.950 26068 2370 1 5 . 1 1 81 81 LYS H H 81 8.330 8.330 8.287 0.043 26068 2371 1 5 . 1 1 82 82 LYS N N 82 121.710 121.710 117.768 3.942 26068 2372 1 5 . 1 1 82 82 LYS HA H 82 4.670 4.670 4.691 -0.021 26068 2373 1 5 . 1 1 82 82 LYS C C 82 173.360 173.360 174.497 -1.137 26068 2374 1 5 . 1 1 82 82 LYS CA C 82 53.910 53.910 55.323 -1.413 26068 2375 1 5 . 1 1 82 82 LYS CB C 82 35.200 35.200 35.610 -0.410 26068 2376 1 5 . 1 1 82 82 LYS H H 82 8.970 8.970 8.879 0.091 26068 2377 1 5 . 1 1 83 83 ILE N N 83 123.310 123.310 121.888 1.422 26068 2378 1 5 . 1 1 83 83 ILE HA H 83 4.700 4.700 4.841 -0.141 26068 2379 1 5 . 1 1 83 83 ILE C C 83 173.820 173.820 176.439 -2.619 26068 2380 1 5 . 1 1 83 83 ILE CA C 83 60.200 60.200 61.121 -0.921 26068 2381 1 5 . 1 1 83 83 ILE CB C 83 37.960 37.960 39.317 -1.357 26068 2382 1 5 . 1 1 83 83 ILE H H 83 8.470 8.470 8.603 -0.133 26068 2383 1 5 . 1 1 84 84 LYS N N 84 127.190 127.190 123.629 3.561 26068 2384 1 5 . 1 1 84 84 LYS HA H 84 4.700 4.700 4.689 0.011 26068 2385 1 5 . 1 1 84 84 LYS C C 84 173.770 173.770 174.318 -0.548 26068 2386 1 5 . 1 1 84 84 LYS CA C 84 53.260 53.260 54.671 -1.411 26068 2387 1 5 . 1 1 84 84 LYS CB C 84 35.070 35.070 35.506 -0.436 26068 2388 1 5 . 1 1 84 84 LYS H H 84 9.160 9.160 8.958 0.202 26068 2389 1 5 . 1 1 85 85 LEU N N 85 125.120 125.120 125.981 -0.861 26068 2390 1 5 . 1 1 85 85 LEU HA H 85 4.690 4.690 4.283 0.407 26068 2391 1 5 . 1 1 85 85 LEU C C 85 175.520 175.520 176.190 -0.670 26068 2392 1 5 . 1 1 85 85 LEU CA C 85 52.080 52.080 54.220 -2.140 26068 2393 1 5 . 1 1 85 85 LEU CB C 85 43.670 43.670 43.213 0.457 26068 2394 1 5 . 1 1 85 85 LEU H H 85 8.620 8.620 8.542 0.078 26068 2395 1 5 . 1 1 86 86 THR N N 86 124.610 124.610 120.786 3.824 26068 2396 1 5 . 1 1 86 86 THR HA H 86 4.550 4.550 4.572 -0.022 26068 2397 1 5 . 1 1 86 86 THR C C 86 174.770 174.770 173.493 1.277 26068 2398 1 5 . 1 1 86 86 THR CA C 86 60.440 60.440 61.256 -0.816 26068 2399 1 5 . 1 1 86 86 THR CB C 86 68.040 68.040 68.864 -0.824 26068 2400 1 5 . 1 1 86 86 THR H H 86 8.770 8.770 8.278 0.492 26068 2401 1 5 . 1 1 87 87 VAL C C 87 174.810 174.810 175.247 -0.437 26068 2402 1 5 . 1 1 87 87 VAL CA C 87 63.170 63.170 59.553 3.617 26068 2403 1 5 . 1 1 88 88 SER N N 88 122.640 122.640 118.489 4.151 26068 2404 1 5 . 1 1 88 88 SER HA H 88 4.470 4.470 4.601 -0.131 26068 2405 1 5 . 1 1 88 88 SER CA C 88 56.790 56.790 56.923 -0.133 26068 2406 1 5 . 1 1 88 88 SER H H 88 8.330 8.330 8.534 -0.204 26068 2407 1 5 . 1 1 89 89 LYS C C 89 176.560 176.560 177.666 -1.106 26068 2408 1 5 . 1 1 90 90 ILE N N 90 117.640 117.640 119.247 -1.607 26068 2409 1 5 . 1 1 90 90 ILE HA H 90 3.700 3.700 4.076 -0.376 26068 2410 1 5 . 1 1 90 90 ILE C C 90 178.250 178.250 175.312 2.938 26068 2411 1 5 . 1 1 90 90 ILE CA C 90 63.200 63.200 61.883 1.317 26068 2412 1 5 . 1 1 90 90 ILE CB C 90 36.230 36.230 38.203 -1.973 26068 2413 1 5 . 1 1 90 90 ILE H H 90 7.930 7.930 7.566 0.364 26068 2414 1 5 . 1 1 91 91 LEU N N 91 121.350 121.350 112.266 9.084 26068 2415 1 5 . 1 1 91 91 LEU HA H 91 4.210 4.210 5.154 -0.944 26068 2416 1 5 . 1 1 91 91 LEU C C 91 177.410 177.410 175.632 1.778 26068 2417 1 5 . 1 1 91 91 LEU CA C 91 56.750 56.750 53.616 3.134 26068 2418 1 5 . 1 1 91 91 LEU CB C 91 39.561 39.561 41.913 -2.352 26068 2419 1 5 . 1 1 91 91 LEU H H 91 7.380 7.380 7.971 -0.591 26068 2420 1 5 . 1 1 92 92 THR N N 92 113.940 113.940 115.641 -1.701 26068 2421 1 5 . 1 1 92 92 THR HA H 92 3.670 3.670 4.808 -1.138 26068 2422 1 5 . 1 1 92 92 THR C C 92 176.170 176.170 173.101 3.069 26068 2423 1 5 . 1 1 92 92 THR CA C 92 66.150 66.150 62.833 3.317 26068 2424 1 5 . 1 1 92 92 THR CB C 92 66.950 66.950 70.052 -3.102 26068 2425 1 5 . 1 1 92 92 THR H H 92 7.780 7.780 7.668 0.112 26068 2426 1 5 . 1 1 93 93 ASP N N 93 121.580 121.580 123.246 -1.666 26068 2427 1 5 . 1 1 93 93 ASP HA H 93 4.360 4.360 4.891 -0.531 26068 2428 1 5 . 1 1 93 93 ASP C C 93 178.020 178.020 175.996 2.024 26068 2429 1 5 . 1 1 93 93 ASP CA C 93 56.140 56.140 52.857 3.283 26068 2430 1 5 . 1 1 93 93 ASP CB C 93 38.730 38.730 41.588 -2.858 26068 2431 1 5 . 1 1 93 93 ASP H H 93 8.790 8.790 7.948 0.842 26068 2432 1 5 . 1 1 94 94 ALA N N 94 124.610 124.610 127.955 -3.345 26068 2433 1 5 . 1 1 94 94 ALA HA H 94 4.130 4.130 3.832 0.298 26068 2434 1 5 . 1 1 94 94 ALA C C 94 180.080 180.080 176.242 3.838 26068 2435 1 5 . 1 1 94 94 ALA CA C 94 54.120 54.120 53.405 0.715 26068 2436 1 5 . 1 1 94 94 ALA CB C 94 17.110 17.110 18.072 -0.962 26068 2437 1 5 . 1 1 94 94 ALA H H 94 8.050 8.050 8.506 -0.456 26068 2438 1 5 . 1 1 95 95 VAL N N 95 119.040 119.040 118.310 0.730 26068 2439 1 5 . 1 1 95 95 VAL HA H 95 3.650 3.650 4.314 -0.664 26068 2440 1 5 . 1 1 95 95 VAL C C 95 177.260 177.260 174.830 2.430 26068 2441 1 5 . 1 1 95 95 VAL CA C 95 65.350 65.350 60.976 4.374 26068 2442 1 5 . 1 1 95 95 VAL CB C 95 30.640 30.640 33.772 -3.131 26068 2443 1 5 . 1 1 95 95 VAL H H 95 8.110 8.110 7.618 0.492 26068 2444 1 5 . 1 1 96 96 ASP N N 96 119.550 119.550 125.041 -5.491 26068 2445 1 5 . 1 1 96 96 ASP HA H 96 4.460 4.460 4.195 0.265 26068 2446 1 5 . 1 1 96 96 ASP C C 96 176.710 176.710 176.546 0.164 26068 2447 1 5 . 1 1 96 96 ASP CA C 96 55.790 55.790 57.090 -1.300 26068 2448 1 5 . 1 1 96 96 ASP CB C 96 40.140 40.140 39.713 0.427 26068 2449 1 5 . 1 1 96 96 ASP H H 96 7.970 7.970 8.833 -0.863 26068 2450 1 5 . 1 1 97 97 SER N N 97 112.600 112.600 117.705 -5.105 26068 2451 1 5 . 1 1 97 97 SER HA H 97 4.420 4.420 4.303 0.117 26068 2452 1 5 . 1 1 97 97 SER CA C 97 58.290 58.290 59.984 -1.694 26068 2453 1 5 . 1 1 97 97 SER CB C 97 62.720 62.720 64.650 -1.929 26068 2454 1 5 . 1 1 97 97 SER H H 97 7.870 7.870 8.117 -0.247 26068 2455 1 5 . 1 1 98 98 HIS N N 98 122.580 122.580 121.641 0.939 26068 2456 1 5 . 1 1 98 98 HIS HA H 98 4.090 4.090 4.834 -0.744 26068 2457 1 5 . 1 1 98 98 HIS C C 98 173.400 173.400 172.975 0.425 26068 2458 1 5 . 1 1 98 98 HIS CA C 98 57.400 57.400 55.780 1.620 26068 2459 1 5 . 1 1 98 98 HIS CB C 98 29.810 29.810 31.125 -1.315 26068 2460 1 5 . 1 1 98 98 HIS H H 98 7.340 7.340 7.532 -0.192 26068 2461 1 6 . 1 1 2 2 ALA N N 2 125.690 125.690 125.649 0.041 26068 2462 1 6 . 1 1 2 2 ALA C C 2 176.530 176.530 177.034 -0.504 26068 2463 1 6 . 1 1 2 2 ALA CA C 2 51.730 51.730 51.748 -0.018 26068 2464 1 6 . 1 1 2 2 ALA H H 2 8.250 8.250 8.311 -0.061 26068 2465 1 6 . 1 1 3 3 LYS N N 3 121.040 121.040 122.875 -1.835 26068 2466 1 6 . 1 1 3 3 LYS C C 3 175.520 175.520 176.141 -0.621 26068 2467 1 6 . 1 1 3 3 LYS CA C 3 55.230 55.230 55.996 -0.766 26068 2468 1 6 . 1 1 3 3 LYS H H 3 8.210 8.210 8.316 -0.106 26068 2469 1 6 . 1 1 4 4 ILE N N 4 122.490 122.490 124.059 -1.569 26068 2470 1 6 . 1 1 4 4 ILE HA H 4 4.180 4.180 4.212 -0.032 26068 2471 1 6 . 1 1 4 4 ILE C C 4 174.950 174.950 175.862 -0.912 26068 2472 1 6 . 1 1 4 4 ILE CA C 4 59.870 59.870 60.890 -1.020 26068 2473 1 6 . 1 1 4 4 ILE H H 4 8.170 8.170 8.485 -0.315 26068 2474 1 6 . 1 1 5 5 LYS N N 5 126.600 126.600 127.958 -1.358 26068 2475 1 6 . 1 1 5 5 LYS C C 5 174.330 174.330 175.961 -1.631 26068 2476 1 6 . 1 1 5 5 LYS CA C 5 55.060 55.060 55.855 -0.794 26068 2477 1 6 . 1 1 5 5 LYS H H 5 8.320 8.320 8.460 -0.140 26068 2478 1 6 . 1 1 6 6 SER N N 6 118.400 118.400 119.528 -1.128 26068 2479 1 6 . 1 1 6 6 SER C C 6 174.220 174.220 174.002 0.218 26068 2480 1 6 . 1 1 6 6 SER CA C 6 56.300 56.300 58.256 -1.956 26068 2481 1 6 . 1 1 6 6 SER H H 6 8.200 8.200 8.423 -0.223 26068 2482 1 6 . 1 1 7 7 LEU N N 7 125.400 125.400 121.009 4.391 26068 2483 1 6 . 1 1 7 7 LEU C C 7 177.730 177.730 175.489 2.241 26068 2484 1 6 . 1 1 7 7 LEU CA C 7 54.950 54.950 54.265 0.685 26068 2485 1 6 . 1 1 7 7 LEU CB C 7 42.000 42.000 42.458 -0.458 26068 2486 1 6 . 1 1 7 7 LEU H H 7 9.050 9.050 7.915 1.135 26068 2487 1 6 . 1 1 8 8 SER N N 8 124.870 124.870 115.095 9.775 26068 2488 1 6 . 1 1 8 8 SER HA H 8 4.510 4.510 4.781 -0.271 26068 2489 1 6 . 1 1 8 8 SER C C 8 173.810 173.810 174.606 -0.796 26068 2490 1 6 . 1 1 8 8 SER CA C 8 56.740 56.740 57.685 -0.945 26068 2491 1 6 . 1 1 8 8 SER CB C 8 64.390 64.390 63.978 0.412 26068 2492 1 6 . 1 1 8 8 SER H H 8 9.140 9.140 8.376 0.764 26068 2493 1 6 . 1 1 9 9 ALA N N 9 124.340 124.340 124.529 -0.189 26068 2494 1 6 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.226 0.174 26068 2495 1 6 . 1 1 9 9 ALA C C 9 178.940 178.940 178.959 -0.019 26068 2496 1 6 . 1 1 9 9 ALA CA C 9 54.940 54.940 54.210 0.730 26068 2497 1 6 . 1 1 9 9 ALA H H 9 8.710 8.710 8.394 0.316 26068 2498 1 6 . 1 1 10 10 ALA N N 10 117.990 117.990 120.301 -2.311 26068 2499 1 6 . 1 1 10 10 ALA C C 10 180.600 180.600 179.474 1.126 26068 2500 1 6 . 1 1 10 10 ALA CA C 10 54.380 54.380 54.195 0.185 26068 2501 1 6 . 1 1 10 10 ALA CB C 10 17.240 17.240 18.233 -0.993 26068 2502 1 6 . 1 1 10 10 ALA H H 10 8.380 8.380 8.520 -0.140 26068 2503 1 6 . 1 1 11 11 GLU N N 11 118.900 118.900 119.422 -0.522 26068 2504 1 6 . 1 1 11 11 GLU HA H 11 4.040 4.040 4.162 -0.122 26068 2505 1 6 . 1 1 11 11 GLU C C 11 177.770 177.770 178.591 -0.821 26068 2506 1 6 . 1 1 11 11 GLU CA C 11 58.210 58.210 58.142 0.068 26068 2507 1 6 . 1 1 11 11 GLU CB C 11 29.310 29.310 29.422 -0.112 26068 2508 1 6 . 1 1 11 11 GLU H H 11 7.780 7.780 8.212 -0.432 26068 2509 1 6 . 1 1 12 12 TYR N N 12 125.590 125.590 121.342 4.248 26068 2510 1 6 . 1 1 12 12 TYR C C 12 179.280 179.280 177.065 2.215 26068 2511 1 6 . 1 1 12 12 TYR CA C 12 59.690 59.690 61.007 -1.317 26068 2512 1 6 . 1 1 12 12 TYR CB C 12 37.530 37.530 38.515 -0.985 26068 2513 1 6 . 1 1 12 12 TYR H H 12 8.800 8.800 7.875 0.925 26068 2514 1 6 . 1 1 13 13 LEU N N 13 118.240 118.240 115.067 3.173 26068 2515 1 6 . 1 1 13 13 LEU HA H 13 4.130 4.130 3.871 0.259 26068 2516 1 6 . 1 1 13 13 LEU C C 13 177.790 177.790 177.787 0.003 26068 2517 1 6 . 1 1 13 13 LEU CA C 13 58.180 58.180 56.376 1.804 26068 2518 1 6 . 1 1 13 13 LEU CB C 13 41.290 41.290 41.281 0.010 26068 2519 1 6 . 1 1 13 13 LEU H H 13 8.770 8.770 7.551 1.219 26068 2520 1 6 . 1 1 14 14 LYS N N 14 118.870 118.870 117.324 1.546 26068 2521 1 6 . 1 1 14 14 LYS HA H 14 3.980 3.980 4.011 -0.031 26068 2522 1 6 . 1 1 14 14 LYS C C 14 177.090 177.090 178.667 -1.577 26068 2523 1 6 . 1 1 14 14 LYS CA C 14 58.610 58.610 58.787 -0.177 26068 2524 1 6 . 1 1 14 14 LYS CB C 14 31.220 31.220 32.068 -0.848 26068 2525 1 6 . 1 1 14 14 LYS H H 14 7.790 7.790 7.296 0.494 26068 2526 1 6 . 1 1 15 15 GLU N N 15 119.560 119.560 121.365 -1.805 26068 2527 1 6 . 1 1 15 15 GLU HA H 15 4.050 4.050 4.026 0.025 26068 2528 1 6 . 1 1 15 15 GLU C C 15 179.660 179.660 177.886 1.774 26068 2529 1 6 . 1 1 15 15 GLU CA C 15 59.260 59.260 58.278 0.982 26068 2530 1 6 . 1 1 15 15 GLU CB C 15 28.010 28.010 29.251 -1.241 26068 2531 1 6 . 1 1 15 15 GLU H H 15 8.330 8.330 7.557 0.773 26068 2532 1 6 . 1 1 16 16 MET N N 16 116.760 116.760 118.282 -1.522 26068 2533 1 6 . 1 1 16 16 MET HA H 16 4.420 4.420 4.383 0.037 26068 2534 1 6 . 1 1 16 16 MET C C 16 178.960 178.960 176.524 2.436 26068 2535 1 6 . 1 1 16 16 MET CA C 16 58.200 58.200 54.465 3.735 26068 2536 1 6 . 1 1 16 16 MET CB C 16 34.370 34.370 31.545 2.825 26068 2537 1 6 . 1 1 16 16 MET H H 16 7.940 7.940 7.360 0.580 26068 2538 1 6 . 1 1 17 17 ALA N N 17 128.000 128.000 124.355 3.645 26068 2539 1 6 . 1 1 17 17 ALA HA H 17 4.210 4.210 3.936 0.274 26068 2540 1 6 . 1 1 17 17 ALA C C 17 179.620 179.620 178.932 0.688 26068 2541 1 6 . 1 1 17 17 ALA CA C 17 54.760 54.760 55.207 -0.447 26068 2542 1 6 . 1 1 17 17 ALA CB C 17 17.750 17.750 18.411 -0.661 26068 2543 1 6 . 1 1 17 17 ALA H H 17 8.820 8.820 7.379 1.441 26068 2544 1 6 . 1 1 18 18 ASP N N 18 119.660 119.660 115.538 4.122 26068 2545 1 6 . 1 1 18 18 ASP HA H 18 4.420 4.420 4.732 -0.312 26068 2546 1 6 . 1 1 18 18 ASP C C 18 177.750 177.750 175.933 1.817 26068 2547 1 6 . 1 1 18 18 ASP CA C 18 55.790 55.790 54.824 0.966 26068 2548 1 6 . 1 1 18 18 ASP CB C 18 38.980 38.980 40.796 -1.816 26068 2549 1 6 . 1 1 18 18 ASP H H 18 8.770 8.770 8.591 0.179 26068 2550 1 6 . 1 1 19 19 GLU N N 19 117.150 117.150 119.402 -2.252 26068 2551 1 6 . 1 1 19 19 GLU HA H 19 4.190 4.190 4.561 -0.371 26068 2552 1 6 . 1 1 19 19 GLU C C 19 177.540 177.540 175.184 2.356 26068 2553 1 6 . 1 1 19 19 GLU CA C 19 57.750 57.750 55.421 2.329 26068 2554 1 6 . 1 1 19 19 GLU CB C 19 29.360 29.360 30.384 -1.024 26068 2555 1 6 . 1 1 19 19 GLU H H 19 7.620 7.620 7.584 0.036 26068 2556 1 6 . 1 1 20 20 THR N N 20 105.730 105.730 113.164 -7.434 26068 2557 1 6 . 1 1 20 20 THR HA H 20 4.120 4.120 4.828 -0.708 26068 2558 1 6 . 1 1 20 20 THR C C 20 174.800 174.800 173.919 0.881 26068 2559 1 6 . 1 1 20 20 THR CA C 20 62.200 62.200 60.985 1.215 26068 2560 1 6 . 1 1 20 20 THR CB C 20 70.870 70.870 69.270 1.600 26068 2561 1 6 . 1 1 20 20 THR H H 20 7.900 7.900 7.506 0.394 26068 2562 1 6 . 1 1 21 21 ASN N N 21 116.950 116.950 121.756 -4.806 26068 2563 1 6 . 1 1 21 21 ASN HA H 21 4.390 4.390 4.749 -0.359 26068 2564 1 6 . 1 1 21 21 ASN C C 21 173.060 173.060 175.808 -2.748 26068 2565 1 6 . 1 1 21 21 ASN CA C 21 54.210 54.210 53.658 0.552 26068 2566 1 6 . 1 1 21 21 ASN CB C 21 36.870 36.870 38.438 -1.568 26068 2567 1 6 . 1 1 21 21 ASN H H 21 8.460 8.460 8.495 -0.035 26068 2568 1 6 . 1 1 22 22 ILE N N 22 121.830 121.830 116.228 5.602 26068 2569 1 6 . 1 1 22 22 ILE HA H 22 4.140 4.140 4.574 -0.434 26068 2570 1 6 . 1 1 22 22 ILE C C 22 174.780 174.780 175.246 -0.466 26068 2571 1 6 . 1 1 22 22 ILE CA C 22 59.100 59.100 61.696 -2.596 26068 2572 1 6 . 1 1 22 22 ILE CB C 22 37.060 37.060 38.591 -1.531 26068 2573 1 6 . 1 1 22 22 ILE H H 22 7.680 7.680 7.993 -0.313 26068 2574 1 6 . 1 1 23 23 LYS N N 23 124.750 124.750 119.129 5.621 26068 2575 1 6 . 1 1 23 23 LYS HA H 23 4.140 4.140 4.568 -0.428 26068 2576 1 6 . 1 1 23 23 LYS C C 23 178.550 178.550 174.282 4.268 26068 2577 1 6 . 1 1 23 23 LYS CA C 23 55.940 55.940 55.035 0.904 26068 2578 1 6 . 1 1 23 23 LYS CB C 23 31.670 31.670 35.223 -3.553 26068 2579 1 6 . 1 1 23 23 LYS H H 23 8.510 8.510 7.355 1.155 26068 2580 1 6 . 1 1 24 24 VAL N N 24 122.570 122.570 118.324 4.246 26068 2581 1 6 . 1 1 24 24 VAL C C 24 176.350 176.350 176.528 -0.178 26068 2582 1 6 . 1 1 24 24 VAL CA C 24 66.090 66.090 64.131 1.959 26068 2583 1 6 . 1 1 24 24 VAL CB C 24 30.640 30.640 33.311 -2.671 26068 2584 1 6 . 1 1 24 24 VAL H H 24 8.800 8.800 8.838 -0.038 26068 2585 1 6 . 1 1 25 25 GLN N N 25 117.730 117.730 120.239 -2.509 26068 2586 1 6 . 1 1 25 25 GLN C C 25 177.420 177.420 177.093 0.327 26068 2587 1 6 . 1 1 25 25 GLN CA C 25 58.500 58.500 58.673 -0.173 26068 2588 1 6 . 1 1 25 25 GLN CB C 25 26.800 26.800 28.759 -1.959 26068 2589 1 6 . 1 1 25 25 GLN H H 25 8.950 8.950 8.633 0.317 26068 2590 1 6 . 1 1 26 26 ASP N N 26 120.360 120.360 119.426 0.934 26068 2591 1 6 . 1 1 26 26 ASP HA H 26 4.610 4.610 4.563 0.047 26068 2592 1 6 . 1 1 26 26 ASP C C 26 177.320 177.320 176.589 0.731 26068 2593 1 6 . 1 1 26 26 ASP CA C 26 55.980 55.980 56.125 -0.145 26068 2594 1 6 . 1 1 26 26 ASP CB C 26 39.240 39.240 40.241 -1.001 26068 2595 1 6 . 1 1 26 26 ASP H H 26 7.100 7.100 8.689 -1.589 26068 2596 1 6 . 1 1 27 27 ILE N N 27 120.730 120.730 118.049 2.681 26068 2597 1 6 . 1 1 27 27 ILE C C 27 177.470 177.470 177.256 0.214 26068 2598 1 6 . 1 1 27 27 ILE CA C 27 65.110 65.110 60.850 4.260 26068 2599 1 6 . 1 1 27 27 ILE CB C 27 35.840 35.840 37.907 -2.067 26068 2600 1 6 . 1 1 27 27 ILE H H 27 7.950 7.950 7.340 0.610 26068 2601 1 6 . 1 1 28 28 ARG N N 28 118.340 118.340 120.223 -1.883 26068 2602 1 6 . 1 1 28 28 ARG C C 28 178.150 178.150 178.562 -0.412 26068 2603 1 6 . 1 1 28 28 ARG CA C 28 59.040 59.040 59.714 -0.674 26068 2604 1 6 . 1 1 28 28 ARG CB C 28 28.910 28.910 30.023 -1.113 26068 2605 1 6 . 1 1 28 28 ARG H H 28 8.640 8.640 7.689 0.951 26068 2606 1 6 . 1 1 29 29 LEU N N 29 119.800 119.800 118.959 0.841 26068 2607 1 6 . 1 1 29 29 LEU HA H 29 4.050 4.050 4.163 -0.113 26068 2608 1 6 . 1 1 29 29 LEU C C 29 178.970 178.970 178.434 0.536 26068 2609 1 6 . 1 1 29 29 LEU CA C 29 57.150 57.150 57.375 -0.225 26068 2610 1 6 . 1 1 29 29 LEU CB C 29 40.840 40.840 41.770 -0.930 26068 2611 1 6 . 1 1 29 29 LEU H H 29 7.340 7.340 8.111 -0.771 26068 2612 1 6 . 1 1 30 30 VAL N N 30 120.200 120.200 118.632 1.568 26068 2613 1 6 . 1 1 30 30 VAL HA H 30 3.410 3.410 3.823 -0.413 26068 2614 1 6 . 1 1 30 30 VAL C C 30 176.580 176.580 177.686 -1.106 26068 2615 1 6 . 1 1 30 30 VAL CA C 30 66.490 66.490 65.437 1.053 26068 2616 1 6 . 1 1 30 30 VAL CB C 30 30.390 30.390 31.975 -1.585 26068 2617 1 6 . 1 1 30 30 VAL H H 30 7.930 7.930 7.550 0.380 26068 2618 1 6 . 1 1 31 31 VAL N N 31 119.110 119.110 118.122 0.988 26068 2619 1 6 . 1 1 31 31 VAL HA H 31 3.210 3.210 3.731 -0.521 26068 2620 1 6 . 1 1 31 31 VAL C C 31 177.750 177.750 177.186 0.564 26068 2621 1 6 . 1 1 31 31 VAL CA C 31 66.040 66.040 65.016 1.024 26068 2622 1 6 . 1 1 31 31 VAL CB C 31 29.870 29.870 31.669 -1.799 26068 2623 1 6 . 1 1 31 31 VAL H H 31 8.520 8.520 7.353 1.167 26068 2624 1 6 . 1 1 32 32 THR N N 32 118.400 118.400 115.360 3.040 26068 2625 1 6 . 1 1 32 32 THR C C 32 175.680 175.680 176.847 -1.167 26068 2626 1 6 . 1 1 32 32 THR CA C 32 66.440 66.440 66.038 0.402 26068 2627 1 6 . 1 1 32 32 THR CB C 32 67.470 67.470 68.963 -1.493 26068 2628 1 6 . 1 1 32 32 THR H H 32 8.220 8.220 7.479 0.741 26068 2629 1 6 . 1 1 33 33 SER N N 33 118.470 118.470 118.996 -0.526 26068 2630 1 6 . 1 1 33 33 SER HA H 33 4.330 4.330 4.185 0.145 26068 2631 1 6 . 1 1 33 33 SER C C 33 175.560 175.560 176.571 -1.011 26068 2632 1 6 . 1 1 33 33 SER CA C 33 60.860 60.860 61.837 -0.977 26068 2633 1 6 . 1 1 33 33 SER CB C 33 62.720 62.720 62.797 -0.076 26068 2634 1 6 . 1 1 33 33 SER H H 33 7.820 7.820 8.034 -0.213 26068 2635 1 6 . 1 1 34 34 LEU N N 34 120.790 120.790 122.807 -2.017 26068 2636 1 6 . 1 1 34 34 LEU C C 34 180.120 180.120 179.060 1.060 26068 2637 1 6 . 1 1 34 34 LEU CA C 34 58.680 58.680 58.027 0.653 26068 2638 1 6 . 1 1 34 34 LEU CB C 34 41.870 41.870 41.359 0.511 26068 2639 1 6 . 1 1 34 34 LEU H H 34 8.940 8.940 8.105 0.835 26068 2640 1 6 . 1 1 35 35 GLN N N 35 117.680 117.680 116.141 1.539 26068 2641 1 6 . 1 1 35 35 GLN HA H 35 3.800 3.800 4.109 -0.309 26068 2642 1 6 . 1 1 35 35 GLN C C 35 176.160 176.160 178.191 -2.031 26068 2643 1 6 . 1 1 35 35 GLN CA C 35 58.910 58.910 57.412 1.498 26068 2644 1 6 . 1 1 35 35 GLN CB C 35 29.040 29.040 27.651 1.389 26068 2645 1 6 . 1 1 35 35 GLN H H 35 7.670 7.670 7.967 -0.297 26068 2646 1 6 . 1 1 36 36 LYS N N 36 124.070 124.070 119.361 4.709 26068 2647 1 6 . 1 1 36 36 LYS HA H 36 4.000 4.000 4.218 -0.217 26068 2648 1 6 . 1 1 36 36 LYS C C 36 178.720 178.720 177.871 0.849 26068 2649 1 6 . 1 1 36 36 LYS CA C 36 59.100 59.100 58.302 0.798 26068 2650 1 6 . 1 1 36 36 LYS CB C 36 31.480 31.480 32.494 -1.014 26068 2651 1 6 . 1 1 36 36 LYS H H 36 8.100 8.100 7.388 0.712 26068 2652 1 6 . 1 1 37 37 VAL N N 37 120.470 120.470 118.457 2.013 26068 2653 1 6 . 1 1 37 37 VAL HA H 37 3.420 3.420 3.796 -0.376 26068 2654 1 6 . 1 1 37 37 VAL C C 37 176.250 176.250 177.148 -0.898 26068 2655 1 6 . 1 1 37 37 VAL CA C 37 65.610 65.610 64.968 0.642 26068 2656 1 6 . 1 1 37 37 VAL H H 37 8.560 8.560 7.721 0.839 26068 2657 1 6 . 1 1 38 38 LEU N N 38 119.990 119.990 121.218 -1.228 26068 2658 1 6 . 1 1 38 38 LEU C C 38 176.920 176.920 178.654 -1.734 26068 2659 1 6 . 1 1 38 38 LEU CA C 38 57.720 57.720 58.221 -0.501 26068 2660 1 6 . 1 1 38 38 LEU CB C 38 41.040 41.040 40.745 0.295 26068 2661 1 6 . 1 1 38 38 LEU H H 38 7.120 7.120 7.443 -0.323 26068 2662 1 6 . 1 1 39 39 ALA N N 39 117.870 117.870 118.544 -0.674 26068 2663 1 6 . 1 1 39 39 ALA HA H 39 3.780 3.780 4.022 -0.242 26068 2664 1 6 . 1 1 39 39 ALA C C 39 177.770 177.770 178.380 -0.610 26068 2665 1 6 . 1 1 39 39 ALA CA C 39 53.910 53.910 54.574 -0.664 26068 2666 1 6 . 1 1 39 39 ALA CB C 39 17.370 17.370 18.106 -0.736 26068 2667 1 6 . 1 1 39 39 ALA H H 39 7.540 7.540 7.741 -0.201 26068 2668 1 6 . 1 1 40 40 LYS N N 40 117.340 117.340 118.356 -1.016 26068 2669 1 6 . 1 1 40 40 LYS HA H 40 3.220 3.220 4.181 -0.961 26068 2670 1 6 . 1 1 40 40 LYS C C 40 179.390 179.390 178.556 0.834 26068 2671 1 6 . 1 1 40 40 LYS CA C 40 58.170 58.170 58.682 -0.513 26068 2672 1 6 . 1 1 40 40 LYS CB C 40 29.750 29.750 32.818 -3.068 26068 2673 1 6 . 1 1 40 40 LYS H H 40 7.760 7.760 7.320 0.440 26068 2674 1 6 . 1 1 41 41 GLU N N 41 119.510 119.510 121.631 -2.121 26068 2675 1 6 . 1 1 41 41 GLU HA H 41 3.900 3.900 4.133 -0.233 26068 2676 1 6 . 1 1 41 41 GLU C C 41 179.390 179.390 179.085 0.305 26068 2677 1 6 . 1 1 41 41 GLU CA C 41 57.850 57.850 59.072 -1.222 26068 2678 1 6 . 1 1 41 41 GLU CB C 41 28.720 28.720 29.403 -0.683 26068 2679 1 6 . 1 1 41 41 GLU H H 41 8.810 8.810 7.716 1.094 26068 2680 1 6 . 1 1 42 42 LEU N N 42 120.430 120.430 118.318 2.112 26068 2681 1 6 . 1 1 42 42 LEU HA H 42 3.670 3.670 4.143 -0.473 26068 2682 1 6 . 1 1 42 42 LEU C C 42 176.370 176.370 179.147 -2.777 26068 2683 1 6 . 1 1 42 42 LEU CA C 42 57.650 57.650 57.314 0.336 26068 2684 1 6 . 1 1 42 42 LEU CB C 42 41.040 41.040 41.816 -0.776 26068 2685 1 6 . 1 1 42 42 LEU H H 42 8.200 8.200 8.330 -0.130 26068 2686 1 6 . 1 1 43 43 ALA N N 43 117.000 117.000 119.029 -2.029 26068 2687 1 6 . 1 1 43 43 ALA HA H 43 4.030 4.030 4.272 -0.242 26068 2688 1 6 . 1 1 43 43 ALA C C 43 177.510 177.510 177.583 -0.073 26068 2689 1 6 . 1 1 43 43 ALA CA C 43 53.130 53.130 53.593 -0.463 26068 2690 1 6 . 1 1 43 43 ALA CB C 43 19.230 19.230 18.544 0.686 26068 2691 1 6 . 1 1 43 43 ALA H H 43 7.850 7.850 7.962 -0.112 26068 2692 1 6 . 1 1 44 44 THR N N 44 107.520 107.520 107.132 0.388 26068 2693 1 6 . 1 1 44 44 THR HA H 44 4.370 4.370 4.502 -0.132 26068 2694 1 6 . 1 1 44 44 THR C C 44 174.160 174.160 174.927 -0.767 26068 2695 1 6 . 1 1 44 44 THR CA C 44 61.030 61.030 60.726 0.304 26068 2696 1 6 . 1 1 44 44 THR CB C 44 69.200 69.200 69.460 -0.260 26068 2697 1 6 . 1 1 44 44 THR H H 44 7.570 7.570 7.271 0.299 26068 2698 1 6 . 1 1 45 45 THR N N 45 120.020 120.020 112.999 7.021 26068 2699 1 6 . 1 1 45 45 THR HA H 45 4.170 4.170 3.923 0.247 26068 2700 1 6 . 1 1 45 45 THR C C 45 175.160 175.160 174.219 0.941 26068 2701 1 6 . 1 1 45 45 THR CA C 45 63.160 63.160 63.359 -0.199 26068 2702 1 6 . 1 1 45 45 THR CB C 45 68.750 68.750 67.403 1.347 26068 2703 1 6 . 1 1 45 45 THR H H 45 8.690 8.690 7.445 1.245 26068 2704 1 6 . 1 1 46 46 GLY N N 46 108.110 108.110 108.958 -0.848 26068 2705 1 6 . 1 1 46 46 GLY C C 46 171.890 171.890 172.943 -1.053 26068 2706 1 6 . 1 1 46 46 GLY CA C 46 44.600 44.600 44.258 0.342 26068 2707 1 6 . 1 1 46 46 GLY H H 46 8.300 8.300 7.940 0.360 26068 2708 1 6 . 1 1 47 47 GLU N N 47 115.320 115.320 124.305 -8.985 26068 2709 1 6 . 1 1 47 47 GLU HA H 47 5.330 5.330 4.383 0.947 26068 2710 1 6 . 1 1 47 47 GLU C C 47 173.280 173.280 176.218 -2.938 26068 2711 1 6 . 1 1 47 47 GLU CA C 47 54.060 54.060 55.981 -1.921 26068 2712 1 6 . 1 1 47 47 GLU CB C 47 32.280 32.280 30.788 1.492 26068 2713 1 6 . 1 1 47 47 GLU H H 47 7.210 7.210 8.593 -1.383 26068 2714 1 6 . 1 1 48 48 VAL N N 48 118.460 118.460 128.545 -10.085 26068 2715 1 6 . 1 1 48 48 VAL HA H 48 4.450 4.450 4.254 0.196 26068 2716 1 6 . 1 1 48 48 VAL C C 48 171.500 171.500 174.982 -3.482 26068 2717 1 6 . 1 1 48 48 VAL CA C 48 60.080 60.080 61.284 -1.204 26068 2718 1 6 . 1 1 48 48 VAL CB C 48 32.510 32.510 31.941 0.569 26068 2719 1 6 . 1 1 48 48 VAL H H 48 8.810 8.810 8.728 0.082 26068 2720 1 6 . 1 1 49 49 ARG N N 49 129.960 129.960 125.941 4.019 26068 2721 1 6 . 1 1 49 49 ARG HA H 49 4.700 4.700 4.375 0.325 26068 2722 1 6 . 1 1 49 49 ARG C C 49 173.520 173.520 176.003 -2.483 26068 2723 1 6 . 1 1 49 49 ARG CA C 49 54.960 54.960 56.299 -1.339 26068 2724 1 6 . 1 1 49 49 ARG CB C 49 29.170 29.170 30.921 -1.751 26068 2725 1 6 . 1 1 49 49 ARG H H 49 9.510 9.510 8.351 1.159 26068 2726 1 6 . 1 1 50 50 LEU N N 50 129.550 129.550 126.860 2.690 26068 2727 1 6 . 1 1 50 50 LEU HA H 50 4.440 4.440 4.708 -0.268 26068 2728 1 6 . 1 1 50 50 LEU C C 50 171.890 171.890 175.818 -3.928 26068 2729 1 6 . 1 1 50 50 LEU CA C 50 51.100 51.100 53.376 -2.276 26068 2730 1 6 . 1 1 50 50 LEU CB C 50 41.740 41.740 43.381 -1.641 26068 2731 1 6 . 1 1 50 50 LEU H H 50 8.960 8.960 8.648 0.312 26068 2732 1 6 . 1 1 51 51 PHE N N 51 122.720 122.720 124.368 -1.648 26068 2733 1 6 . 1 1 51 51 PHE HA H 51 3.750 3.750 4.149 -0.399 26068 2734 1 6 . 1 1 51 51 PHE C C 51 173.520 173.520 176.274 -2.754 26068 2735 1 6 . 1 1 51 51 PHE CA C 51 59.750 59.750 60.123 -0.373 26068 2736 1 6 . 1 1 51 51 PHE CB C 51 36.610 36.610 39.177 -2.567 26068 2737 1 6 . 1 1 51 51 PHE H H 51 7.960 7.960 8.592 -0.632 26068 2738 1 6 . 1 1 52 52 ASP N N 52 122.670 122.670 124.493 -1.823 26068 2739 1 6 . 1 1 52 52 ASP HA H 52 5.070 5.070 4.272 0.798 26068 2740 1 6 . 1 1 52 52 ASP C C 52 175.160 175.160 175.174 -0.014 26068 2741 1 6 . 1 1 52 52 ASP CA C 52 53.380 53.380 54.992 -1.612 26068 2742 1 6 . 1 1 52 52 ASP CB C 52 39.950 39.950 39.636 0.314 26068 2743 1 6 . 1 1 52 52 ASP H H 52 8.690 8.690 8.466 0.224 26068 2744 1 6 . 1 1 53 53 ILE N N 53 121.190 121.190 119.959 1.231 26068 2745 1 6 . 1 1 53 53 ILE HA H 53 3.980 3.980 4.107 -0.127 26068 2746 1 6 . 1 1 53 53 ILE C C 53 174.950 174.950 175.149 -0.199 26068 2747 1 6 . 1 1 53 53 ILE CA C 53 63.530 63.530 62.676 0.854 26068 2748 1 6 . 1 1 53 53 ILE CB C 53 37.000 37.000 40.072 -3.072 26068 2749 1 6 . 1 1 53 53 ILE H H 53 8.710 8.710 8.086 0.624 26068 2750 1 6 . 1 1 54 54 GLY N N 54 101.400 101.400 105.829 -4.429 26068 2751 1 6 . 1 1 54 54 GLY C C 54 169.840 169.840 172.158 -2.318 26068 2752 1 6 . 1 1 54 54 GLY CA C 54 43.740 43.740 45.086 -1.346 26068 2753 1 6 . 1 1 54 54 GLY H H 54 6.690 6.690 8.338 -1.648 26068 2754 1 6 . 1 1 55 55 LYS N N 55 119.440 119.440 118.892 0.548 26068 2755 1 6 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.684 0.246 26068 2756 1 6 . 1 1 55 55 LYS C C 55 174.340 174.340 174.121 0.219 26068 2757 1 6 . 1 1 55 55 LYS CA C 55 54.190 54.190 55.682 -1.492 26068 2758 1 6 . 1 1 55 55 LYS CB C 55 33.660 33.660 35.344 -1.684 26068 2759 1 6 . 1 1 55 55 LYS H H 55 8.110 8.110 7.795 0.315 26068 2760 1 6 . 1 1 56 56 PHE N N 56 128.540 128.540 119.350 9.190 26068 2761 1 6 . 1 1 56 56 PHE HA H 56 5.170 5.170 5.043 0.127 26068 2762 1 6 . 1 1 56 56 PHE C C 56 174.040 174.040 176.102 -2.062 26068 2763 1 6 . 1 1 56 56 PHE CA C 56 56.140 56.140 57.961 -1.821 26068 2764 1 6 . 1 1 56 56 PHE CB C 56 41.100 41.100 40.577 0.523 26068 2765 1 6 . 1 1 56 56 PHE H H 56 9.420 9.420 8.212 1.208 26068 2766 1 6 . 1 1 57 57 LYS N N 57 120.820 120.820 124.034 -3.214 26068 2767 1 6 . 1 1 57 57 LYS HA H 57 5.030 5.030 4.675 0.355 26068 2768 1 6 . 1 1 57 57 LYS C C 57 173.280 173.280 174.913 -1.633 26068 2769 1 6 . 1 1 57 57 LYS CA C 57 54.190 54.190 54.866 -0.676 26068 2770 1 6 . 1 1 57 57 LYS CB C 57 36.420 36.420 34.949 1.471 26068 2771 1 6 . 1 1 57 57 LYS H H 57 9.060 9.060 9.229 -0.169 26068 2772 1 6 . 1 1 58 58 LEU N N 58 125.690 125.690 127.032 -1.342 26068 2773 1 6 . 1 1 58 58 LEU HA H 58 4.950 4.950 4.657 0.293 26068 2774 1 6 . 1 1 58 58 LEU C C 58 175.180 175.180 176.583 -1.403 26068 2775 1 6 . 1 1 58 58 LEU CA C 58 52.890 52.890 54.678 -1.788 26068 2776 1 6 . 1 1 58 58 LEU CB C 58 42.320 42.320 42.914 -0.595 26068 2777 1 6 . 1 1 58 58 LEU H H 58 8.420 8.420 8.541 -0.121 26068 2778 1 6 . 1 1 59 59 VAL N N 59 125.770 125.770 123.707 2.063 26068 2779 1 6 . 1 1 59 59 VAL HA H 59 4.540 4.540 4.543 -0.003 26068 2780 1 6 . 1 1 59 59 VAL C C 59 174.690 174.690 174.490 0.200 26068 2781 1 6 . 1 1 59 59 VAL CA C 59 59.780 59.780 60.961 -1.181 26068 2782 1 6 . 1 1 59 59 VAL CB C 59 32.950 32.950 35.441 -2.491 26068 2783 1 6 . 1 1 59 59 VAL H H 59 9.260 9.260 8.331 0.929 26068 2784 1 6 . 1 1 60 60 THR N N 60 119.180 119.180 118.068 1.112 26068 2785 1 6 . 1 1 60 60 THR C C 60 174.250 174.250 173.065 1.185 26068 2786 1 6 . 1 1 60 60 THR CA C 60 60.740 60.740 59.892 0.849 26068 2787 1 6 . 1 1 60 60 THR CB C 60 65.260 65.260 69.801 -4.541 26068 2788 1 6 . 1 1 60 60 THR H H 60 8.480 8.480 8.224 0.256 26068 2789 1 6 . 1 1 61 61 THR N N 61 117.840 117.840 116.314 1.526 26068 2790 1 6 . 1 1 61 61 THR C C 61 173.550 173.550 173.915 -0.365 26068 2791 1 6 . 1 1 61 61 THR CA C 61 59.290 59.290 60.255 -0.965 26068 2792 1 6 . 1 1 61 61 THR H H 61 8.610 8.610 8.181 0.429 26068 2793 1 6 . 1 1 62 62 LYS N N 62 122.610 122.610 122.961 -0.351 26068 2794 1 6 . 1 1 62 62 LYS HA H 62 4.480 4.480 4.463 0.017 26068 2795 1 6 . 1 1 62 62 LYS CA C 62 53.750 53.750 55.053 -1.303 26068 2796 1 6 . 1 1 62 62 LYS H H 62 8.380 8.380 8.485 -0.105 26068 2797 1 6 . 1 1 63 63 PRO C C 63 176.780 176.780 176.549 0.231 26068 2798 1 6 . 1 1 64 64 ARG N N 64 116.830 116.830 117.598 -0.768 26068 2799 1 6 . 1 1 64 64 ARG C C 64 177.070 177.070 174.709 2.361 26068 2800 1 6 . 1 1 64 64 ARG CA C 64 57.230 57.230 55.391 1.839 26068 2801 1 6 . 1 1 64 64 ARG H H 64 8.130 8.130 8.371 -0.241 26068 2802 1 6 . 1 1 65 65 THR N N 65 127.240 127.240 115.643 11.597 26068 2803 1 6 . 1 1 65 65 THR C C 65 173.780 173.780 173.330 0.450 26068 2804 1 6 . 1 1 65 65 THR CA C 65 60.680 60.680 59.812 0.868 26068 2805 1 6 . 1 1 65 65 THR H H 65 7.370 7.370 8.309 -0.939 26068 2806 1 6 . 1 1 66 66 GLY N N 66 112.840 112.840 111.847 0.993 26068 2807 1 6 . 1 1 66 66 GLY C C 66 171.630 171.630 171.992 -0.362 26068 2808 1 6 . 1 1 66 66 GLY CA C 66 43.610 43.610 44.174 -0.564 26068 2809 1 6 . 1 1 66 66 GLY H H 66 8.760 8.760 8.591 0.169 26068 2810 1 6 . 1 1 67 67 ILE N N 67 119.560 119.560 118.782 0.778 26068 2811 1 6 . 1 1 67 67 ILE C C 67 175.110 175.110 175.378 -0.268 26068 2812 1 6 . 1 1 67 67 ILE CA C 67 58.220 58.220 59.438 -1.218 26068 2813 1 6 . 1 1 67 67 ILE H H 67 8.310 8.310 8.257 0.053 26068 2814 1 6 . 1 1 68 68 ASN N N 68 127.190 127.190 127.080 0.110 26068 2815 1 6 . 1 1 68 68 ASN CA C 68 49.840 49.840 52.088 -2.248 26068 2816 1 6 . 1 1 68 68 ASN H H 68 8.750 8.750 8.461 0.289 26068 2817 1 6 . 1 1 70 70 LYS N N 70 128.540 128.540 118.393 10.147 26068 2818 1 6 . 1 1 70 70 LYS HA H 70 4.530 4.530 4.326 0.204 26068 2819 1 6 . 1 1 70 70 LYS CA C 70 57.270 57.270 57.277 -0.007 26068 2820 1 6 . 1 1 70 70 LYS H H 70 8.870 8.870 8.346 0.524 26068 2821 1 6 . 1 1 71 71 THR C C 71 174.770 174.770 173.855 0.915 26068 2822 1 6 . 1 1 71 71 THR CA C 71 60.650 60.650 60.071 0.579 26068 2823 1 6 . 1 1 72 72 LYS N N 72 116.540 116.540 120.591 -4.051 26068 2824 1 6 . 1 1 72 72 LYS C C 72 174.500 174.500 175.623 -1.123 26068 2825 1 6 . 1 1 72 72 LYS CA C 72 56.710 56.710 55.266 1.444 26068 2826 1 6 . 1 1 72 72 LYS H H 72 8.450 8.450 8.517 -0.067 26068 2827 1 6 . 1 1 73 73 GLN N N 73 117.620 117.620 120.103 -2.483 26068 2828 1 6 . 1 1 73 73 GLN HA H 73 4.200 4.200 4.500 -0.300 26068 2829 1 6 . 1 1 73 73 GLN C C 73 174.700 174.700 174.776 -0.076 26068 2830 1 6 . 1 1 73 73 GLN CA C 73 54.250 54.250 54.404 -0.154 26068 2831 1 6 . 1 1 73 73 GLN H H 73 7.600 7.600 7.579 0.021 26068 2832 1 6 . 1 1 74 74 LYS N N 74 122.530 122.530 125.061 -2.531 26068 2833 1 6 . 1 1 74 74 LYS C C 74 175.840 175.840 176.291 -0.451 26068 2834 1 6 . 1 1 74 74 LYS CA C 74 55.900 55.900 55.800 0.100 26068 2835 1 6 . 1 1 74 74 LYS H H 74 8.500 8.500 8.561 -0.061 26068 2836 1 6 . 1 1 75 75 ILE N N 75 121.120 121.120 127.135 -6.015 26068 2837 1 6 . 1 1 75 75 ILE HA H 75 4.440 4.440 4.331 0.109 26068 2838 1 6 . 1 1 75 75 ILE C C 75 174.000 174.000 174.661 -0.661 26068 2839 1 6 . 1 1 75 75 ILE CA C 75 58.750 58.750 60.522 -1.772 26068 2840 1 6 . 1 1 75 75 ILE H H 75 8.480 8.480 9.083 -0.603 26068 2841 1 6 . 1 1 76 76 GLN N N 76 123.280 123.280 126.847 -3.567 26068 2842 1 6 . 1 1 76 76 GLN C C 76 174.000 174.000 175.165 -1.165 26068 2843 1 6 . 1 1 76 76 GLN CA C 76 54.220 54.220 54.974 -0.754 26068 2844 1 6 . 1 1 76 76 GLN H H 76 8.510 8.510 8.658 -0.148 26068 2845 1 6 . 1 1 77 77 ILE N N 77 115.590 115.590 127.773 -12.183 26068 2846 1 6 . 1 1 77 77 ILE CA C 77 60.710 60.710 58.484 2.226 26068 2847 1 6 . 1 1 77 77 ILE H H 77 8.420 8.420 8.023 0.398 26068 2848 1 6 . 1 1 78 78 PRO C C 78 176.070 176.070 176.210 -0.140 26068 2849 1 6 . 1 1 79 79 ALA N N 79 123.150 123.150 122.565 0.585 26068 2850 1 6 . 1 1 79 79 ALA HA H 79 3.990 3.990 4.434 -0.444 26068 2851 1 6 . 1 1 79 79 ALA C C 79 176.740 176.740 177.319 -0.579 26068 2852 1 6 . 1 1 79 79 ALA CA C 79 51.670 51.670 51.727 -0.057 26068 2853 1 6 . 1 1 79 79 ALA CB C 79 18.710 18.710 19.791 -1.081 26068 2854 1 6 . 1 1 79 79 ALA H H 79 8.490 8.490 8.178 0.312 26068 2855 1 6 . 1 1 80 80 GLY N N 80 109.540 109.540 106.070 3.470 26068 2856 1 6 . 1 1 80 80 GLY C C 80 172.350 172.350 172.074 0.276 26068 2857 1 6 . 1 1 80 80 GLY CA C 80 43.650 43.650 44.495 -0.845 26068 2858 1 6 . 1 1 80 80 GLY H H 80 7.960 7.960 8.851 -0.891 26068 2859 1 6 . 1 1 81 81 LYS N N 81 120.310 120.310 119.122 1.188 26068 2860 1 6 . 1 1 81 81 LYS C C 81 174.920 174.920 175.308 -0.388 26068 2861 1 6 . 1 1 81 81 LYS CA C 81 54.330 54.330 55.093 -0.762 26068 2862 1 6 . 1 1 81 81 LYS H H 81 8.330 8.330 8.271 0.059 26068 2863 1 6 . 1 1 82 82 LYS N N 82 121.710 121.710 121.123 0.587 26068 2864 1 6 . 1 1 82 82 LYS HA H 82 4.670 4.670 4.839 -0.169 26068 2865 1 6 . 1 1 82 82 LYS C C 82 173.360 173.360 174.483 -1.123 26068 2866 1 6 . 1 1 82 82 LYS CA C 82 53.910 53.910 55.367 -1.457 26068 2867 1 6 . 1 1 82 82 LYS CB C 82 35.200 35.200 36.989 -1.790 26068 2868 1 6 . 1 1 82 82 LYS H H 82 8.970 8.970 8.473 0.497 26068 2869 1 6 . 1 1 83 83 ILE N N 83 123.310 123.310 116.264 7.046 26068 2870 1 6 . 1 1 83 83 ILE HA H 83 4.700 4.700 5.384 -0.684 26068 2871 1 6 . 1 1 83 83 ILE C C 83 173.820 173.820 174.654 -0.834 26068 2872 1 6 . 1 1 83 83 ILE CA C 83 60.200 60.200 59.430 0.770 26068 2873 1 6 . 1 1 83 83 ILE CB C 83 37.960 37.960 42.068 -4.108 26068 2874 1 6 . 1 1 83 83 ILE H H 83 8.470 8.470 8.395 0.075 26068 2875 1 6 . 1 1 84 84 LYS N N 84 127.190 127.190 120.750 6.440 26068 2876 1 6 . 1 1 84 84 LYS HA H 84 4.700 4.700 4.688 0.012 26068 2877 1 6 . 1 1 84 84 LYS C C 84 173.770 173.770 173.971 -0.201 26068 2878 1 6 . 1 1 84 84 LYS CA C 84 53.260 53.260 54.870 -1.610 26068 2879 1 6 . 1 1 84 84 LYS CB C 84 35.070 35.070 35.886 -0.816 26068 2880 1 6 . 1 1 84 84 LYS H H 84 9.160 9.160 8.515 0.645 26068 2881 1 6 . 1 1 85 85 LEU N N 85 125.120 125.120 123.971 1.149 26068 2882 1 6 . 1 1 85 85 LEU HA H 85 4.690 4.690 4.089 0.601 26068 2883 1 6 . 1 1 85 85 LEU C C 85 175.520 175.520 176.300 -0.780 26068 2884 1 6 . 1 1 85 85 LEU CA C 85 52.080 52.080 54.385 -2.305 26068 2885 1 6 . 1 1 85 85 LEU CB C 85 43.670 43.670 43.347 0.323 26068 2886 1 6 . 1 1 85 85 LEU H H 85 8.620 8.620 8.565 0.055 26068 2887 1 6 . 1 1 86 86 THR N N 86 124.610 124.610 119.413 5.197 26068 2888 1 6 . 1 1 86 86 THR HA H 86 4.550 4.550 4.570 -0.020 26068 2889 1 6 . 1 1 86 86 THR C C 86 174.770 174.770 173.740 1.030 26068 2890 1 6 . 1 1 86 86 THR CA C 86 60.440 60.440 60.767 -0.327 26068 2891 1 6 . 1 1 86 86 THR CB C 86 68.040 68.040 69.543 -1.503 26068 2892 1 6 . 1 1 86 86 THR H H 86 8.770 8.770 8.917 -0.147 26068 2893 1 6 . 1 1 87 87 VAL C C 87 174.810 174.810 175.484 -0.674 26068 2894 1 6 . 1 1 87 87 VAL CA C 87 63.170 63.170 61.233 1.937 26068 2895 1 6 . 1 1 88 88 SER N N 88 122.640 122.640 118.243 4.397 26068 2896 1 6 . 1 1 88 88 SER HA H 88 4.470 4.470 4.781 -0.311 26068 2897 1 6 . 1 1 88 88 SER CA C 88 56.790 56.790 55.912 0.878 26068 2898 1 6 . 1 1 88 88 SER H H 88 8.330 8.330 8.523 -0.193 26068 2899 1 6 . 1 1 89 89 LYS C C 89 176.560 176.560 177.715 -1.155 26068 2900 1 6 . 1 1 90 90 ILE N N 90 117.640 117.640 119.405 -1.765 26068 2901 1 6 . 1 1 90 90 ILE HA H 90 3.700 3.700 3.885 -0.185 26068 2902 1 6 . 1 1 90 90 ILE C C 90 178.250 178.250 175.936 2.314 26068 2903 1 6 . 1 1 90 90 ILE CA C 90 63.200 63.200 63.110 0.090 26068 2904 1 6 . 1 1 90 90 ILE CB C 90 36.230 36.230 38.191 -1.961 26068 2905 1 6 . 1 1 90 90 ILE H H 90 7.930 7.930 8.047 -0.117 26068 2906 1 6 . 1 1 91 91 LEU N N 91 121.350 121.350 110.532 10.818 26068 2907 1 6 . 1 1 91 91 LEU HA H 91 4.210 4.210 4.842 -0.632 26068 2908 1 6 . 1 1 91 91 LEU C C 91 177.410 177.410 175.539 1.871 26068 2909 1 6 . 1 1 91 91 LEU CA C 91 56.750 56.750 54.219 2.531 26068 2910 1 6 . 1 1 91 91 LEU CB C 91 39.561 39.561 41.855 -2.294 26068 2911 1 6 . 1 1 91 91 LEU H H 91 7.380 7.380 7.579 -0.199 26068 2912 1 6 . 1 1 92 92 THR N N 92 113.940 113.940 115.281 -1.341 26068 2913 1 6 . 1 1 92 92 THR HA H 92 3.670 3.670 4.580 -0.910 26068 2914 1 6 . 1 1 92 92 THR C C 92 176.170 176.170 173.763 2.407 26068 2915 1 6 . 1 1 92 92 THR CA C 92 66.150 66.150 62.719 3.431 26068 2916 1 6 . 1 1 92 92 THR CB C 92 66.950 66.950 69.725 -2.775 26068 2917 1 6 . 1 1 92 92 THR H H 92 7.780 7.780 7.727 0.053 26068 2918 1 6 . 1 1 93 93 ASP N N 93 121.580 121.580 122.377 -0.797 26068 2919 1 6 . 1 1 93 93 ASP HA H 93 4.360 4.360 4.887 -0.527 26068 2920 1 6 . 1 1 93 93 ASP C C 93 178.020 178.020 175.065 2.955 26068 2921 1 6 . 1 1 93 93 ASP CA C 93 56.140 56.140 54.465 1.675 26068 2922 1 6 . 1 1 93 93 ASP CB C 93 38.730 38.730 41.790 -3.060 26068 2923 1 6 . 1 1 93 93 ASP H H 93 8.790 8.790 7.932 0.858 26068 2924 1 6 . 1 1 94 94 ALA N N 94 124.610 124.610 127.558 -2.948 26068 2925 1 6 . 1 1 94 94 ALA HA H 94 4.130 4.130 3.915 0.215 26068 2926 1 6 . 1 1 94 94 ALA C C 94 180.080 180.080 175.903 4.177 26068 2927 1 6 . 1 1 94 94 ALA CA C 94 54.120 54.120 53.169 0.951 26068 2928 1 6 . 1 1 94 94 ALA CB C 94 17.110 17.110 18.474 -1.364 26068 2929 1 6 . 1 1 94 94 ALA H H 94 8.050 8.050 8.534 -0.484 26068 2930 1 6 . 1 1 95 95 VAL N N 95 119.040 119.040 116.550 2.490 26068 2931 1 6 . 1 1 95 95 VAL HA H 95 3.650 3.650 4.343 -0.693 26068 2932 1 6 . 1 1 95 95 VAL C C 95 177.260 177.260 174.642 2.618 26068 2933 1 6 . 1 1 95 95 VAL CA C 95 65.350 65.350 60.804 4.546 26068 2934 1 6 . 1 1 95 95 VAL CB C 95 30.640 30.640 33.424 -2.784 26068 2935 1 6 . 1 1 95 95 VAL H H 95 8.110 8.110 7.420 0.690 26068 2936 1 6 . 1 1 96 96 ASP N N 96 119.550 119.550 125.510 -5.960 26068 2937 1 6 . 1 1 96 96 ASP HA H 96 4.460 4.460 4.294 0.166 26068 2938 1 6 . 1 1 96 96 ASP C C 96 176.710 176.710 176.994 -0.284 26068 2939 1 6 . 1 1 96 96 ASP CA C 96 55.790 55.790 56.833 -1.043 26068 2940 1 6 . 1 1 96 96 ASP CB C 96 40.140 40.140 39.768 0.372 26068 2941 1 6 . 1 1 96 96 ASP H H 96 7.970 7.970 8.671 -0.701 26068 2942 1 6 . 1 1 97 97 SER N N 97 112.600 112.600 118.523 -5.923 26068 2943 1 6 . 1 1 97 97 SER HA H 97 4.420 4.420 4.311 0.109 26068 2944 1 6 . 1 1 97 97 SER CA C 97 58.290 58.290 60.325 -2.035 26068 2945 1 6 . 1 1 97 97 SER CB C 97 62.720 62.720 64.229 -1.509 26068 2946 1 6 . 1 1 97 97 SER H H 97 7.870 7.870 8.330 -0.460 26068 2947 1 6 . 1 1 98 98 HIS N N 98 122.580 122.580 119.796 2.784 26068 2948 1 6 . 1 1 98 98 HIS HA H 98 4.090 4.090 4.719 -0.629 26068 2949 1 6 . 1 1 98 98 HIS C C 98 173.400 173.400 173.039 0.361 26068 2950 1 6 . 1 1 98 98 HIS CA C 98 57.400 57.400 55.539 1.861 26068 2951 1 6 . 1 1 98 98 HIS CB C 98 29.810 29.810 29.952 -0.142 26068 2952 1 6 . 1 1 98 98 HIS H H 98 7.340 7.340 7.551 -0.211 26068 2953 1 7 . 1 1 2 2 ALA N N 2 125.690 125.690 126.262 -0.572 26068 2954 1 7 . 1 1 2 2 ALA C C 2 176.530 176.530 177.035 -0.505 26068 2955 1 7 . 1 1 2 2 ALA CA C 2 51.730 51.730 51.740 -0.010 26068 2956 1 7 . 1 1 2 2 ALA H H 2 8.250 8.250 8.278 -0.028 26068 2957 1 7 . 1 1 3 3 LYS N N 3 121.040 121.040 122.883 -1.843 26068 2958 1 7 . 1 1 3 3 LYS C C 3 175.520 175.520 175.734 -0.214 26068 2959 1 7 . 1 1 3 3 LYS CA C 3 55.230 55.230 56.132 -0.902 26068 2960 1 7 . 1 1 3 3 LYS H H 3 8.210 8.210 8.209 0.001 26068 2961 1 7 . 1 1 4 4 ILE N N 4 122.490 122.490 124.661 -2.171 26068 2962 1 7 . 1 1 4 4 ILE HA H 4 4.180 4.180 4.128 0.052 26068 2963 1 7 . 1 1 4 4 ILE C C 4 174.950 174.950 176.175 -1.225 26068 2964 1 7 . 1 1 4 4 ILE CA C 4 59.870 59.870 61.661 -1.791 26068 2965 1 7 . 1 1 4 4 ILE H H 4 8.170 8.170 8.240 -0.070 26068 2966 1 7 . 1 1 5 5 LYS N N 5 126.600 126.600 128.440 -1.840 26068 2967 1 7 . 1 1 5 5 LYS C C 5 174.330 174.330 176.179 -1.849 26068 2968 1 7 . 1 1 5 5 LYS CA C 5 55.060 55.060 56.048 -0.988 26068 2969 1 7 . 1 1 5 5 LYS H H 5 8.320 8.320 8.376 -0.056 26068 2970 1 7 . 1 1 6 6 SER N N 6 118.400 118.400 119.857 -1.457 26068 2971 1 7 . 1 1 6 6 SER C C 6 174.220 174.220 173.880 0.340 26068 2972 1 7 . 1 1 6 6 SER CA C 6 56.300 56.300 58.382 -2.082 26068 2973 1 7 . 1 1 6 6 SER H H 6 8.200 8.200 8.392 -0.192 26068 2974 1 7 . 1 1 7 7 LEU N N 7 125.400 125.400 120.454 4.946 26068 2975 1 7 . 1 1 7 7 LEU C C 7 177.730 177.730 175.110 2.620 26068 2976 1 7 . 1 1 7 7 LEU CA C 7 54.950 54.950 54.646 0.304 26068 2977 1 7 . 1 1 7 7 LEU CB C 7 42.000 42.000 43.092 -1.092 26068 2978 1 7 . 1 1 7 7 LEU H H 7 9.050 9.050 8.173 0.877 26068 2979 1 7 . 1 1 8 8 SER N N 8 124.870 124.870 115.263 9.607 26068 2980 1 7 . 1 1 8 8 SER HA H 8 4.510 4.510 4.664 -0.154 26068 2981 1 7 . 1 1 8 8 SER C C 8 173.810 173.810 175.458 -1.648 26068 2982 1 7 . 1 1 8 8 SER CA C 8 56.740 56.740 57.615 -0.875 26068 2983 1 7 . 1 1 8 8 SER CB C 8 64.390 64.390 64.252 0.137 26068 2984 1 7 . 1 1 8 8 SER H H 8 9.140 9.140 8.164 0.976 26068 2985 1 7 . 1 1 9 9 ALA N N 9 124.340 124.340 124.236 0.104 26068 2986 1 7 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.357 0.043 26068 2987 1 7 . 1 1 9 9 ALA C C 9 178.940 178.940 179.349 -0.409 26068 2988 1 7 . 1 1 9 9 ALA CA C 9 54.940 54.940 54.389 0.551 26068 2989 1 7 . 1 1 9 9 ALA H H 9 8.710 8.710 8.450 0.260 26068 2990 1 7 . 1 1 10 10 ALA N N 10 117.990 117.990 120.004 -2.014 26068 2991 1 7 . 1 1 10 10 ALA C C 10 180.600 180.600 179.153 1.447 26068 2992 1 7 . 1 1 10 10 ALA CA C 10 54.380 54.380 54.027 0.353 26068 2993 1 7 . 1 1 10 10 ALA CB C 10 17.240 17.240 18.209 -0.969 26068 2994 1 7 . 1 1 10 10 ALA H H 10 8.380 8.380 8.491 -0.111 26068 2995 1 7 . 1 1 11 11 GLU N N 11 118.900 118.900 118.880 0.020 26068 2996 1 7 . 1 1 11 11 GLU HA H 11 4.040 4.040 4.176 -0.136 26068 2997 1 7 . 1 1 11 11 GLU C C 11 177.770 177.770 178.200 -0.430 26068 2998 1 7 . 1 1 11 11 GLU CA C 11 58.210 58.210 57.909 0.301 26068 2999 1 7 . 1 1 11 11 GLU CB C 11 29.310 29.310 29.587 -0.277 26068 3000 1 7 . 1 1 11 11 GLU H H 11 7.780 7.780 7.982 -0.202 26068 3001 1 7 . 1 1 12 12 TYR N N 12 125.590 125.590 120.492 5.098 26068 3002 1 7 . 1 1 12 12 TYR C C 12 179.280 179.280 176.962 2.318 26068 3003 1 7 . 1 1 12 12 TYR CA C 12 59.690 59.690 60.671 -0.981 26068 3004 1 7 . 1 1 12 12 TYR CB C 12 37.530 37.530 39.000 -1.470 26068 3005 1 7 . 1 1 12 12 TYR H H 12 8.800 8.800 7.690 1.110 26068 3006 1 7 . 1 1 13 13 LEU N N 13 118.240 118.240 117.336 0.904 26068 3007 1 7 . 1 1 13 13 LEU HA H 13 4.130 4.130 3.830 0.300 26068 3008 1 7 . 1 1 13 13 LEU C C 13 177.790 177.790 177.820 -0.030 26068 3009 1 7 . 1 1 13 13 LEU CA C 13 58.180 58.180 56.915 1.265 26068 3010 1 7 . 1 1 13 13 LEU CB C 13 41.290 41.290 41.033 0.257 26068 3011 1 7 . 1 1 13 13 LEU H H 13 8.770 8.770 7.998 0.772 26068 3012 1 7 . 1 1 14 14 LYS N N 14 118.870 118.870 116.528 2.342 26068 3013 1 7 . 1 1 14 14 LYS HA H 14 3.980 3.980 4.102 -0.122 26068 3014 1 7 . 1 1 14 14 LYS C C 14 177.090 177.090 179.089 -1.999 26068 3015 1 7 . 1 1 14 14 LYS CA C 14 58.610 58.610 57.968 0.642 26068 3016 1 7 . 1 1 14 14 LYS CB C 14 31.220 31.220 32.159 -0.939 26068 3017 1 7 . 1 1 14 14 LYS H H 14 7.790 7.790 7.464 0.326 26068 3018 1 7 . 1 1 15 15 GLU N N 15 119.560 119.560 120.775 -1.215 26068 3019 1 7 . 1 1 15 15 GLU HA H 15 4.050 4.050 4.133 -0.083 26068 3020 1 7 . 1 1 15 15 GLU C C 15 179.660 179.660 176.985 2.675 26068 3021 1 7 . 1 1 15 15 GLU CA C 15 59.260 59.260 57.795 1.465 26068 3022 1 7 . 1 1 15 15 GLU CB C 15 28.010 28.010 29.452 -1.442 26068 3023 1 7 . 1 1 15 15 GLU H H 15 8.330 8.330 7.900 0.430 26068 3024 1 7 . 1 1 16 16 MET N N 16 116.760 116.760 118.747 -1.987 26068 3025 1 7 . 1 1 16 16 MET HA H 16 4.420 4.420 4.653 -0.233 26068 3026 1 7 . 1 1 16 16 MET C C 16 178.960 178.960 175.435 3.525 26068 3027 1 7 . 1 1 16 16 MET CA C 16 58.200 58.200 54.300 3.900 26068 3028 1 7 . 1 1 16 16 MET CB C 16 34.370 34.370 33.002 1.368 26068 3029 1 7 . 1 1 16 16 MET H H 16 7.940 7.940 7.729 0.211 26068 3030 1 7 . 1 1 17 17 ALA N N 17 128.000 128.000 122.247 5.753 26068 3031 1 7 . 1 1 17 17 ALA HA H 17 4.210 4.210 4.319 -0.109 26068 3032 1 7 . 1 1 17 17 ALA C C 17 179.620 179.620 177.277 2.343 26068 3033 1 7 . 1 1 17 17 ALA CA C 17 54.760 54.760 53.705 1.055 26068 3034 1 7 . 1 1 17 17 ALA CB C 17 17.750 17.750 19.008 -1.258 26068 3035 1 7 . 1 1 17 17 ALA H H 17 8.820 8.820 7.550 1.270 26068 3036 1 7 . 1 1 18 18 ASP N N 18 119.660 119.660 116.899 2.761 26068 3037 1 7 . 1 1 18 18 ASP HA H 18 4.420 4.420 4.666 -0.246 26068 3038 1 7 . 1 1 18 18 ASP C C 18 177.750 177.750 176.603 1.147 26068 3039 1 7 . 1 1 18 18 ASP CA C 18 55.790 55.790 55.280 0.510 26068 3040 1 7 . 1 1 18 18 ASP CB C 18 38.980 38.980 41.157 -2.177 26068 3041 1 7 . 1 1 18 18 ASP H H 18 8.770 8.770 8.234 0.536 26068 3042 1 7 . 1 1 19 19 GLU N N 19 117.150 117.150 119.088 -1.938 26068 3043 1 7 . 1 1 19 19 GLU HA H 19 4.190 4.190 4.425 -0.235 26068 3044 1 7 . 1 1 19 19 GLU C C 19 177.540 177.540 176.646 0.894 26068 3045 1 7 . 1 1 19 19 GLU CA C 19 57.750 57.750 56.332 1.418 26068 3046 1 7 . 1 1 19 19 GLU CB C 19 29.360 29.360 30.762 -1.401 26068 3047 1 7 . 1 1 19 19 GLU H H 19 7.620 7.620 8.014 -0.394 26068 3048 1 7 . 1 1 20 20 THR N N 20 105.730 105.730 113.687 -7.957 26068 3049 1 7 . 1 1 20 20 THR HA H 20 4.120 4.120 4.394 -0.274 26068 3050 1 7 . 1 1 20 20 THR C C 20 174.800 174.800 173.922 0.878 26068 3051 1 7 . 1 1 20 20 THR CA C 20 62.200 62.200 62.176 0.024 26068 3052 1 7 . 1 1 20 20 THR CB C 20 70.870 70.870 69.875 0.995 26068 3053 1 7 . 1 1 20 20 THR H H 20 7.900 7.900 7.593 0.307 26068 3054 1 7 . 1 1 21 21 ASN N N 21 116.950 116.950 123.233 -6.283 26068 3055 1 7 . 1 1 21 21 ASN HA H 21 4.390 4.390 4.739 -0.348 26068 3056 1 7 . 1 1 21 21 ASN C C 21 173.060 173.060 175.917 -2.857 26068 3057 1 7 . 1 1 21 21 ASN CA C 21 54.210 54.210 53.926 0.284 26068 3058 1 7 . 1 1 21 21 ASN CB C 21 36.870 36.870 38.635 -1.765 26068 3059 1 7 . 1 1 21 21 ASN H H 21 8.460 8.460 8.669 -0.209 26068 3060 1 7 . 1 1 22 22 ILE N N 22 121.830 121.830 116.696 5.134 26068 3061 1 7 . 1 1 22 22 ILE HA H 22 4.140 4.140 4.421 -0.281 26068 3062 1 7 . 1 1 22 22 ILE C C 22 174.780 174.780 175.677 -0.897 26068 3063 1 7 . 1 1 22 22 ILE CA C 22 59.100 59.100 61.952 -2.852 26068 3064 1 7 . 1 1 22 22 ILE CB C 22 37.060 37.060 38.575 -1.515 26068 3065 1 7 . 1 1 22 22 ILE H H 22 7.680 7.680 7.918 -0.238 26068 3066 1 7 . 1 1 23 23 LYS N N 23 124.750 124.750 119.847 4.903 26068 3067 1 7 . 1 1 23 23 LYS HA H 23 4.140 4.140 4.508 -0.368 26068 3068 1 7 . 1 1 23 23 LYS C C 23 178.550 178.550 174.326 4.224 26068 3069 1 7 . 1 1 23 23 LYS CA C 23 55.940 55.940 55.389 0.551 26068 3070 1 7 . 1 1 23 23 LYS CB C 23 31.670 31.670 35.517 -3.847 26068 3071 1 7 . 1 1 23 23 LYS H H 23 8.510 8.510 7.305 1.205 26068 3072 1 7 . 1 1 24 24 VAL N N 24 122.570 122.570 120.756 1.814 26068 3073 1 7 . 1 1 24 24 VAL C C 24 176.350 176.350 176.530 -0.180 26068 3074 1 7 . 1 1 24 24 VAL CA C 24 66.090 66.090 63.729 2.361 26068 3075 1 7 . 1 1 24 24 VAL CB C 24 30.640 30.640 33.628 -2.988 26068 3076 1 7 . 1 1 24 24 VAL H H 24 8.800 8.800 8.800 0.000 26068 3077 1 7 . 1 1 25 25 GLN N N 25 117.730 117.730 119.973 -2.243 26068 3078 1 7 . 1 1 25 25 GLN C C 25 177.420 177.420 177.228 0.192 26068 3079 1 7 . 1 1 25 25 GLN CA C 25 58.500 58.500 58.438 0.062 26068 3080 1 7 . 1 1 25 25 GLN CB C 25 26.800 26.800 28.617 -1.817 26068 3081 1 7 . 1 1 25 25 GLN H H 25 8.950 8.950 8.486 0.464 26068 3082 1 7 . 1 1 26 26 ASP N N 26 120.360 120.360 120.633 -0.273 26068 3083 1 7 . 1 1 26 26 ASP HA H 26 4.610 4.610 4.438 0.172 26068 3084 1 7 . 1 1 26 26 ASP C C 26 177.320 177.320 178.239 -0.919 26068 3085 1 7 . 1 1 26 26 ASP CA C 26 55.980 55.980 57.231 -1.251 26068 3086 1 7 . 1 1 26 26 ASP CB C 26 39.240 39.240 40.234 -0.994 26068 3087 1 7 . 1 1 26 26 ASP H H 26 7.100 7.100 8.767 -1.667 26068 3088 1 7 . 1 1 27 27 ILE N N 27 120.730 120.730 118.722 2.008 26068 3089 1 7 . 1 1 27 27 ILE C C 27 177.470 177.470 177.545 -0.075 26068 3090 1 7 . 1 1 27 27 ILE CA C 27 65.110 65.110 62.676 2.433 26068 3091 1 7 . 1 1 27 27 ILE CB C 27 35.840 35.840 36.680 -0.840 26068 3092 1 7 . 1 1 27 27 ILE H H 27 7.950 7.950 7.424 0.526 26068 3093 1 7 . 1 1 28 28 ARG N N 28 118.340 118.340 119.579 -1.239 26068 3094 1 7 . 1 1 28 28 ARG C C 28 178.150 178.150 178.862 -0.712 26068 3095 1 7 . 1 1 28 28 ARG CA C 28 59.040 59.040 59.493 -0.453 26068 3096 1 7 . 1 1 28 28 ARG CB C 28 28.910 28.910 29.841 -0.931 26068 3097 1 7 . 1 1 28 28 ARG H H 28 8.640 8.640 7.498 1.141 26068 3098 1 7 . 1 1 29 29 LEU N N 29 119.800 119.800 119.187 0.613 26068 3099 1 7 . 1 1 29 29 LEU HA H 29 4.050 4.050 4.018 0.032 26068 3100 1 7 . 1 1 29 29 LEU C C 29 178.970 178.970 178.877 0.093 26068 3101 1 7 . 1 1 29 29 LEU CA C 29 57.150 57.150 57.894 -0.744 26068 3102 1 7 . 1 1 29 29 LEU CB C 29 40.840 40.840 41.281 -0.441 26068 3103 1 7 . 1 1 29 29 LEU H H 29 7.340 7.340 7.696 -0.356 26068 3104 1 7 . 1 1 30 30 VAL N N 30 120.200 120.200 118.967 1.233 26068 3105 1 7 . 1 1 30 30 VAL HA H 30 3.410 3.410 3.568 -0.158 26068 3106 1 7 . 1 1 30 30 VAL C C 30 176.580 176.580 178.379 -1.799 26068 3107 1 7 . 1 1 30 30 VAL CA C 30 66.490 66.490 66.199 0.291 26068 3108 1 7 . 1 1 30 30 VAL CB C 30 30.390 30.390 31.325 -0.935 26068 3109 1 7 . 1 1 30 30 VAL H H 30 7.930 7.930 7.205 0.725 26068 3110 1 7 . 1 1 31 31 VAL N N 31 119.110 119.110 116.434 2.676 26068 3111 1 7 . 1 1 31 31 VAL HA H 31 3.210 3.210 3.695 -0.485 26068 3112 1 7 . 1 1 31 31 VAL C C 31 177.750 177.750 177.092 0.658 26068 3113 1 7 . 1 1 31 31 VAL CA C 31 66.040 66.040 65.047 0.993 26068 3114 1 7 . 1 1 31 31 VAL CB C 31 29.870 29.870 31.144 -1.274 26068 3115 1 7 . 1 1 31 31 VAL H H 31 8.520 8.520 7.641 0.879 26068 3116 1 7 . 1 1 32 32 THR N N 32 118.400 118.400 114.858 3.542 26068 3117 1 7 . 1 1 32 32 THR C C 32 175.680 175.680 175.990 -0.310 26068 3118 1 7 . 1 1 32 32 THR CA C 32 66.440 66.440 65.833 0.607 26068 3119 1 7 . 1 1 32 32 THR CB C 32 67.470 67.470 69.219 -1.749 26068 3120 1 7 . 1 1 32 32 THR H H 32 8.220 8.220 7.716 0.504 26068 3121 1 7 . 1 1 33 33 SER N N 33 118.470 118.470 118.888 -0.418 26068 3122 1 7 . 1 1 33 33 SER HA H 33 4.330 4.330 4.121 0.209 26068 3123 1 7 . 1 1 33 33 SER C C 33 175.560 175.560 175.820 -0.260 26068 3124 1 7 . 1 1 33 33 SER CA C 33 60.860 60.860 61.888 -1.028 26068 3125 1 7 . 1 1 33 33 SER CB C 33 62.720 62.720 62.792 -0.072 26068 3126 1 7 . 1 1 33 33 SER H H 33 7.820 7.820 8.180 -0.360 26068 3127 1 7 . 1 1 34 34 LEU N N 34 120.790 120.790 121.196 -0.406 26068 3128 1 7 . 1 1 34 34 LEU C C 34 180.120 180.120 179.004 1.116 26068 3129 1 7 . 1 1 34 34 LEU CA C 34 58.680 58.680 57.963 0.717 26068 3130 1 7 . 1 1 34 34 LEU CB C 34 41.870 41.870 41.511 0.359 26068 3131 1 7 . 1 1 34 34 LEU H H 34 8.940 8.940 7.921 1.018 26068 3132 1 7 . 1 1 35 35 GLN N N 35 117.680 117.680 117.773 -0.093 26068 3133 1 7 . 1 1 35 35 GLN HA H 35 3.800 3.800 4.034 -0.234 26068 3134 1 7 . 1 1 35 35 GLN C C 35 176.160 176.160 178.924 -2.764 26068 3135 1 7 . 1 1 35 35 GLN CA C 35 58.910 58.910 58.059 0.851 26068 3136 1 7 . 1 1 35 35 GLN CB C 35 29.040 29.040 27.698 1.342 26068 3137 1 7 . 1 1 35 35 GLN H H 35 7.670 7.670 7.881 -0.211 26068 3138 1 7 . 1 1 36 36 LYS N N 36 124.070 124.070 118.605 5.465 26068 3139 1 7 . 1 1 36 36 LYS HA H 36 4.000 4.000 4.132 -0.132 26068 3140 1 7 . 1 1 36 36 LYS C C 36 178.720 178.720 177.741 0.979 26068 3141 1 7 . 1 1 36 36 LYS CA C 36 59.100 59.100 57.943 1.157 26068 3142 1 7 . 1 1 36 36 LYS CB C 36 31.480 31.480 32.202 -0.722 26068 3143 1 7 . 1 1 36 36 LYS H H 36 8.100 8.100 7.583 0.517 26068 3144 1 7 . 1 1 37 37 VAL N N 37 120.470 120.470 118.763 1.707 26068 3145 1 7 . 1 1 37 37 VAL HA H 37 3.420 3.420 3.975 -0.555 26068 3146 1 7 . 1 1 37 37 VAL C C 37 176.250 176.250 177.271 -1.021 26068 3147 1 7 . 1 1 37 37 VAL CA C 37 65.610 65.610 64.049 1.561 26068 3148 1 7 . 1 1 37 37 VAL H H 37 8.560 8.560 7.530 1.030 26068 3149 1 7 . 1 1 38 38 LEU N N 38 119.990 119.990 121.167 -1.177 26068 3150 1 7 . 1 1 38 38 LEU C C 38 176.920 176.920 178.570 -1.650 26068 3151 1 7 . 1 1 38 38 LEU CA C 38 57.720 57.720 58.176 -0.456 26068 3152 1 7 . 1 1 38 38 LEU CB C 38 41.040 41.040 40.965 0.075 26068 3153 1 7 . 1 1 38 38 LEU H H 38 7.120 7.120 8.238 -1.118 26068 3154 1 7 . 1 1 39 39 ALA N N 39 117.870 117.870 120.535 -2.665 26068 3155 1 7 . 1 1 39 39 ALA HA H 39 3.780 3.780 4.043 -0.263 26068 3156 1 7 . 1 1 39 39 ALA C C 39 177.770 177.770 178.127 -0.357 26068 3157 1 7 . 1 1 39 39 ALA CA C 39 53.910 53.910 54.330 -0.420 26068 3158 1 7 . 1 1 39 39 ALA CB C 39 17.370 17.370 18.213 -0.843 26068 3159 1 7 . 1 1 39 39 ALA H H 39 7.540 7.540 7.567 -0.027 26068 3160 1 7 . 1 1 40 40 LYS N N 40 117.340 117.340 118.783 -1.443 26068 3161 1 7 . 1 1 40 40 LYS HA H 40 3.220 3.220 4.141 -0.921 26068 3162 1 7 . 1 1 40 40 LYS C C 40 179.390 179.390 178.505 0.885 26068 3163 1 7 . 1 1 40 40 LYS CA C 40 58.170 58.170 58.693 -0.523 26068 3164 1 7 . 1 1 40 40 LYS CB C 40 29.750 29.750 32.799 -3.049 26068 3165 1 7 . 1 1 40 40 LYS H H 40 7.760 7.760 7.144 0.616 26068 3166 1 7 . 1 1 41 41 GLU N N 41 119.510 119.510 121.575 -2.065 26068 3167 1 7 . 1 1 41 41 GLU HA H 41 3.900 3.900 4.155 -0.255 26068 3168 1 7 . 1 1 41 41 GLU C C 41 179.390 179.390 179.069 0.321 26068 3169 1 7 . 1 1 41 41 GLU CA C 41 57.850 57.850 58.989 -1.139 26068 3170 1 7 . 1 1 41 41 GLU CB C 41 28.720 28.720 29.533 -0.813 26068 3171 1 7 . 1 1 41 41 GLU H H 41 8.810 8.810 8.669 0.141 26068 3172 1 7 . 1 1 42 42 LEU N N 42 120.430 120.430 117.432 2.998 26068 3173 1 7 . 1 1 42 42 LEU HA H 42 3.670 3.670 4.333 -0.663 26068 3174 1 7 . 1 1 42 42 LEU C C 42 176.370 176.370 178.533 -2.163 26068 3175 1 7 . 1 1 42 42 LEU CA C 42 57.650 57.650 56.241 1.409 26068 3176 1 7 . 1 1 42 42 LEU CB C 42 41.040 41.040 42.056 -1.016 26068 3177 1 7 . 1 1 42 42 LEU H H 42 8.200 8.200 7.972 0.228 26068 3178 1 7 . 1 1 43 43 ALA N N 43 117.000 117.000 121.200 -4.200 26068 3179 1 7 . 1 1 43 43 ALA HA H 43 4.030 4.030 4.224 -0.194 26068 3180 1 7 . 1 1 43 43 ALA C C 43 177.510 177.510 179.139 -1.629 26068 3181 1 7 . 1 1 43 43 ALA CA C 43 53.130 53.130 54.376 -1.246 26068 3182 1 7 . 1 1 43 43 ALA CB C 43 19.230 19.230 18.957 0.273 26068 3183 1 7 . 1 1 43 43 ALA H H 43 7.850 7.850 7.464 0.386 26068 3184 1 7 . 1 1 44 44 THR N N 44 107.520 107.520 109.825 -2.305 26068 3185 1 7 . 1 1 44 44 THR HA H 44 4.370 4.370 4.139 0.231 26068 3186 1 7 . 1 1 44 44 THR C C 44 174.160 174.160 175.267 -1.107 26068 3187 1 7 . 1 1 44 44 THR CA C 44 61.030 61.030 64.135 -3.106 26068 3188 1 7 . 1 1 44 44 THR CB C 44 69.200 69.200 69.101 0.099 26068 3189 1 7 . 1 1 44 44 THR H H 44 7.570 7.570 7.722 -0.152 26068 3190 1 7 . 1 1 45 45 THR N N 45 120.020 120.020 114.243 5.777 26068 3191 1 7 . 1 1 45 45 THR HA H 45 4.170 4.170 3.986 0.184 26068 3192 1 7 . 1 1 45 45 THR C C 45 175.160 175.160 173.131 2.029 26068 3193 1 7 . 1 1 45 45 THR CA C 45 63.160 63.160 63.569 -0.409 26068 3194 1 7 . 1 1 45 45 THR CB C 45 68.750 68.750 67.371 1.379 26068 3195 1 7 . 1 1 45 45 THR H H 45 8.690 8.690 7.604 1.086 26068 3196 1 7 . 1 1 46 46 GLY N N 46 108.110 108.110 108.811 -0.701 26068 3197 1 7 . 1 1 46 46 GLY C C 46 171.890 171.890 172.431 -0.541 26068 3198 1 7 . 1 1 46 46 GLY CA C 46 44.600 44.600 44.412 0.188 26068 3199 1 7 . 1 1 46 46 GLY H H 46 8.300 8.300 8.403 -0.103 26068 3200 1 7 . 1 1 47 47 GLU N N 47 115.320 115.320 126.771 -11.451 26068 3201 1 7 . 1 1 47 47 GLU HA H 47 5.330 5.330 4.415 0.915 26068 3202 1 7 . 1 1 47 47 GLU C C 47 173.280 173.280 175.861 -2.581 26068 3203 1 7 . 1 1 47 47 GLU CA C 47 54.060 54.060 56.598 -2.538 26068 3204 1 7 . 1 1 47 47 GLU CB C 47 32.280 32.280 30.488 1.792 26068 3205 1 7 . 1 1 47 47 GLU H H 47 7.210 7.210 8.617 -1.407 26068 3206 1 7 . 1 1 48 48 VAL N N 48 118.460 118.460 128.474 -10.014 26068 3207 1 7 . 1 1 48 48 VAL HA H 48 4.450 4.450 4.402 0.048 26068 3208 1 7 . 1 1 48 48 VAL C C 48 171.500 171.500 174.751 -3.251 26068 3209 1 7 . 1 1 48 48 VAL CA C 48 60.080 60.080 60.980 -0.899 26068 3210 1 7 . 1 1 48 48 VAL CB C 48 32.510 32.510 33.277 -0.767 26068 3211 1 7 . 1 1 48 48 VAL H H 48 8.810 8.810 8.139 0.671 26068 3212 1 7 . 1 1 49 49 ARG N N 49 129.960 129.960 127.748 2.212 26068 3213 1 7 . 1 1 49 49 ARG HA H 49 4.700 4.700 4.523 0.177 26068 3214 1 7 . 1 1 49 49 ARG C C 49 173.520 173.520 175.828 -2.308 26068 3215 1 7 . 1 1 49 49 ARG CA C 49 54.960 54.960 55.652 -0.692 26068 3216 1 7 . 1 1 49 49 ARG CB C 49 29.170 29.170 31.200 -2.030 26068 3217 1 7 . 1 1 49 49 ARG H H 49 9.510 9.510 8.792 0.718 26068 3218 1 7 . 1 1 50 50 LEU N N 50 129.550 129.550 127.367 2.183 26068 3219 1 7 . 1 1 50 50 LEU HA H 50 4.440 4.440 4.655 -0.215 26068 3220 1 7 . 1 1 50 50 LEU C C 50 171.890 171.890 175.409 -3.519 26068 3221 1 7 . 1 1 50 50 LEU CA C 50 51.100 51.100 53.465 -2.365 26068 3222 1 7 . 1 1 50 50 LEU CB C 50 41.740 41.740 43.218 -1.478 26068 3223 1 7 . 1 1 50 50 LEU H H 50 8.960 8.960 8.552 0.408 26068 3224 1 7 . 1 1 51 51 PHE N N 51 122.720 122.720 125.542 -2.822 26068 3225 1 7 . 1 1 51 51 PHE HA H 51 3.750 3.750 4.285 -0.535 26068 3226 1 7 . 1 1 51 51 PHE C C 51 173.520 173.520 175.791 -2.271 26068 3227 1 7 . 1 1 51 51 PHE CA C 51 59.750 59.750 58.977 0.773 26068 3228 1 7 . 1 1 51 51 PHE CB C 51 36.610 36.610 38.654 -2.044 26068 3229 1 7 . 1 1 51 51 PHE H H 51 7.960 7.960 8.783 -0.823 26068 3230 1 7 . 1 1 52 52 ASP N N 52 122.670 122.670 123.202 -0.532 26068 3231 1 7 . 1 1 52 52 ASP HA H 52 5.070 5.070 4.239 0.831 26068 3232 1 7 . 1 1 52 52 ASP C C 52 175.160 175.160 174.652 0.508 26068 3233 1 7 . 1 1 52 52 ASP CA C 52 53.380 53.380 54.763 -1.383 26068 3234 1 7 . 1 1 52 52 ASP CB C 52 39.950 39.950 38.779 1.171 26068 3235 1 7 . 1 1 52 52 ASP H H 52 8.690 8.690 8.598 0.092 26068 3236 1 7 . 1 1 53 53 ILE N N 53 121.190 121.190 118.237 2.953 26068 3237 1 7 . 1 1 53 53 ILE HA H 53 3.980 3.980 4.263 -0.283 26068 3238 1 7 . 1 1 53 53 ILE C C 53 174.950 174.950 175.503 -0.553 26068 3239 1 7 . 1 1 53 53 ILE CA C 53 63.530 63.530 62.308 1.222 26068 3240 1 7 . 1 1 53 53 ILE CB C 53 37.000 37.000 40.134 -3.134 26068 3241 1 7 . 1 1 53 53 ILE H H 53 8.710 8.710 8.086 0.624 26068 3242 1 7 . 1 1 54 54 GLY N N 54 101.400 101.400 107.859 -6.459 26068 3243 1 7 . 1 1 54 54 GLY C C 54 169.840 169.840 171.958 -2.118 26068 3244 1 7 . 1 1 54 54 GLY CA C 54 43.740 43.740 44.932 -1.192 26068 3245 1 7 . 1 1 54 54 GLY H H 54 6.690 6.690 8.267 -1.577 26068 3246 1 7 . 1 1 55 55 LYS N N 55 119.440 119.440 119.507 -0.067 26068 3247 1 7 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.953 -0.023 26068 3248 1 7 . 1 1 55 55 LYS C C 55 174.340 174.340 174.217 0.123 26068 3249 1 7 . 1 1 55 55 LYS CA C 55 54.190 54.190 54.932 -0.742 26068 3250 1 7 . 1 1 55 55 LYS CB C 55 33.660 33.660 36.510 -2.850 26068 3251 1 7 . 1 1 55 55 LYS H H 55 8.110 8.110 8.730 -0.620 26068 3252 1 7 . 1 1 56 56 PHE N N 56 128.540 128.540 120.140 8.400 26068 3253 1 7 . 1 1 56 56 PHE HA H 56 5.170 5.170 5.055 0.115 26068 3254 1 7 . 1 1 56 56 PHE C C 56 174.040 174.040 175.451 -1.411 26068 3255 1 7 . 1 1 56 56 PHE CA C 56 56.140 56.140 57.363 -1.223 26068 3256 1 7 . 1 1 56 56 PHE CB C 56 41.100 41.100 39.115 1.985 26068 3257 1 7 . 1 1 56 56 PHE H H 56 9.420 9.420 8.881 0.539 26068 3258 1 7 . 1 1 57 57 LYS N N 57 120.820 120.820 125.413 -4.593 26068 3259 1 7 . 1 1 57 57 LYS HA H 57 5.030 5.030 4.599 0.431 26068 3260 1 7 . 1 1 57 57 LYS C C 57 173.280 173.280 174.697 -1.417 26068 3261 1 7 . 1 1 57 57 LYS CA C 57 54.190 54.190 55.149 -0.959 26068 3262 1 7 . 1 1 57 57 LYS CB C 57 36.420 36.420 34.851 1.569 26068 3263 1 7 . 1 1 57 57 LYS H H 57 9.060 9.060 9.007 0.053 26068 3264 1 7 . 1 1 58 58 LEU N N 58 125.690 125.690 126.976 -1.286 26068 3265 1 7 . 1 1 58 58 LEU HA H 58 4.950 4.950 4.800 0.150 26068 3266 1 7 . 1 1 58 58 LEU C C 58 175.180 175.180 176.912 -1.732 26068 3267 1 7 . 1 1 58 58 LEU CA C 58 52.890 52.890 53.976 -1.086 26068 3268 1 7 . 1 1 58 58 LEU CB C 58 42.320 42.320 42.008 0.312 26068 3269 1 7 . 1 1 58 58 LEU H H 58 8.420 8.420 8.475 -0.055 26068 3270 1 7 . 1 1 59 59 VAL N N 59 125.770 125.770 126.652 -0.882 26068 3271 1 7 . 1 1 59 59 VAL HA H 59 4.540 4.540 4.300 0.240 26068 3272 1 7 . 1 1 59 59 VAL C C 59 174.690 174.690 174.867 -0.177 26068 3273 1 7 . 1 1 59 59 VAL CA C 59 59.780 59.780 61.881 -2.101 26068 3274 1 7 . 1 1 59 59 VAL CB C 59 32.950 32.950 33.531 -0.581 26068 3275 1 7 . 1 1 59 59 VAL H H 59 9.260 9.260 8.602 0.658 26068 3276 1 7 . 1 1 60 60 THR N N 60 119.180 119.180 120.771 -1.591 26068 3277 1 7 . 1 1 60 60 THR C C 60 174.250 174.250 173.591 0.659 26068 3278 1 7 . 1 1 60 60 THR CA C 60 60.740 60.740 59.906 0.835 26068 3279 1 7 . 1 1 60 60 THR CB C 60 65.260 65.260 70.526 -5.266 26068 3280 1 7 . 1 1 60 60 THR H H 60 8.480 8.480 8.493 -0.013 26068 3281 1 7 . 1 1 61 61 THR N N 61 117.840 117.840 118.540 -0.700 26068 3282 1 7 . 1 1 61 61 THR C C 61 173.550 173.550 174.439 -0.889 26068 3283 1 7 . 1 1 61 61 THR CA C 61 59.290 59.290 60.662 -1.372 26068 3284 1 7 . 1 1 61 61 THR H H 61 8.610 8.610 8.715 -0.105 26068 3285 1 7 . 1 1 62 62 LYS N N 62 122.610 122.610 126.747 -4.137 26068 3286 1 7 . 1 1 62 62 LYS HA H 62 4.480 4.480 4.225 0.255 26068 3287 1 7 . 1 1 62 62 LYS CA C 62 53.750 53.750 55.663 -1.913 26068 3288 1 7 . 1 1 62 62 LYS H H 62 8.380 8.380 8.570 -0.190 26068 3289 1 7 . 1 1 63 63 PRO C C 63 176.780 176.780 175.993 0.787 26068 3290 1 7 . 1 1 64 64 ARG N N 64 116.830 116.830 118.582 -1.752 26068 3291 1 7 . 1 1 64 64 ARG C C 64 177.070 177.070 174.567 2.503 26068 3292 1 7 . 1 1 64 64 ARG CA C 64 57.230 57.230 55.065 2.165 26068 3293 1 7 . 1 1 64 64 ARG H H 64 8.130 8.130 8.424 -0.294 26068 3294 1 7 . 1 1 65 65 THR N N 65 127.240 127.240 113.603 13.637 26068 3295 1 7 . 1 1 65 65 THR C C 65 173.780 173.780 173.563 0.217 26068 3296 1 7 . 1 1 65 65 THR CA C 65 60.680 60.680 60.450 0.230 26068 3297 1 7 . 1 1 65 65 THR H H 65 7.370 7.370 8.270 -0.900 26068 3298 1 7 . 1 1 66 66 GLY N N 66 112.840 112.840 113.047 -0.207 26068 3299 1 7 . 1 1 66 66 GLY C C 66 171.630 171.630 172.366 -0.736 26068 3300 1 7 . 1 1 66 66 GLY CA C 66 43.610 43.610 43.730 -0.120 26068 3301 1 7 . 1 1 66 66 GLY H H 66 8.760 8.760 8.917 -0.157 26068 3302 1 7 . 1 1 67 67 ILE N N 67 119.560 119.560 118.385 1.175 26068 3303 1 7 . 1 1 67 67 ILE C C 67 175.110 175.110 175.007 0.103 26068 3304 1 7 . 1 1 67 67 ILE CA C 67 58.220 58.220 59.406 -1.186 26068 3305 1 7 . 1 1 67 67 ILE H H 67 8.310 8.310 8.277 0.033 26068 3306 1 7 . 1 1 68 68 ASN N N 68 127.190 127.190 124.285 2.905 26068 3307 1 7 . 1 1 68 68 ASN CA C 68 49.840 49.840 51.472 -1.632 26068 3308 1 7 . 1 1 68 68 ASN H H 68 8.750 8.750 8.887 -0.137 26068 3309 1 7 . 1 1 70 70 LYS N N 70 128.540 128.540 118.830 9.710 26068 3310 1 7 . 1 1 70 70 LYS HA H 70 4.530 4.530 4.440 0.090 26068 3311 1 7 . 1 1 70 70 LYS CA C 70 57.270 57.270 56.936 0.334 26068 3312 1 7 . 1 1 70 70 LYS H H 70 8.870 8.870 8.527 0.343 26068 3313 1 7 . 1 1 71 71 THR C C 71 174.770 174.770 173.578 1.192 26068 3314 1 7 . 1 1 71 71 THR CA C 71 60.650 60.650 60.487 0.163 26068 3315 1 7 . 1 1 72 72 LYS N N 72 116.540 116.540 123.456 -6.916 26068 3316 1 7 . 1 1 72 72 LYS C C 72 174.500 174.500 175.682 -1.182 26068 3317 1 7 . 1 1 72 72 LYS CA C 72 56.710 56.710 56.617 0.093 26068 3318 1 7 . 1 1 72 72 LYS H H 72 8.450 8.450 8.627 -0.177 26068 3319 1 7 . 1 1 73 73 GLN N N 73 117.620 117.620 121.465 -3.845 26068 3320 1 7 . 1 1 73 73 GLN HA H 73 4.200 4.200 4.572 -0.372 26068 3321 1 7 . 1 1 73 73 GLN C C 73 174.700 174.700 174.317 0.383 26068 3322 1 7 . 1 1 73 73 GLN CA C 73 54.250 54.250 54.455 -0.205 26068 3323 1 7 . 1 1 73 73 GLN H H 73 7.600 7.600 7.821 -0.221 26068 3324 1 7 . 1 1 74 74 LYS N N 74 122.530 122.530 121.703 0.827 26068 3325 1 7 . 1 1 74 74 LYS C C 74 175.840 175.840 176.101 -0.261 26068 3326 1 7 . 1 1 74 74 LYS CA C 74 55.900 55.900 56.113 -0.213 26068 3327 1 7 . 1 1 74 74 LYS H H 74 8.500 8.500 8.505 -0.005 26068 3328 1 7 . 1 1 75 75 ILE N N 75 121.120 121.120 122.271 -1.151 26068 3329 1 7 . 1 1 75 75 ILE HA H 75 4.440 4.440 4.319 0.121 26068 3330 1 7 . 1 1 75 75 ILE C C 75 174.000 174.000 174.719 -0.719 26068 3331 1 7 . 1 1 75 75 ILE CA C 75 58.750 58.750 60.298 -1.548 26068 3332 1 7 . 1 1 75 75 ILE H H 75 8.480 8.480 8.625 -0.145 26068 3333 1 7 . 1 1 76 76 GLN N N 76 123.280 123.280 124.369 -1.089 26068 3334 1 7 . 1 1 76 76 GLN C C 76 174.000 174.000 174.611 -0.611 26068 3335 1 7 . 1 1 76 76 GLN CA C 76 54.220 54.220 54.278 -0.058 26068 3336 1 7 . 1 1 76 76 GLN H H 76 8.510 8.510 8.569 -0.059 26068 3337 1 7 . 1 1 77 77 ILE N N 77 115.590 115.590 126.189 -10.599 26068 3338 1 7 . 1 1 77 77 ILE CA C 77 60.710 60.710 58.515 2.195 26068 3339 1 7 . 1 1 77 77 ILE H H 77 8.420 8.420 8.491 -0.071 26068 3340 1 7 . 1 1 78 78 PRO C C 78 176.070 176.070 176.430 -0.360 26068 3341 1 7 . 1 1 79 79 ALA N N 79 123.150 123.150 123.009 0.141 26068 3342 1 7 . 1 1 79 79 ALA HA H 79 3.990 3.990 4.456 -0.466 26068 3343 1 7 . 1 1 79 79 ALA C C 79 176.740 176.740 177.474 -0.734 26068 3344 1 7 . 1 1 79 79 ALA CA C 79 51.670 51.670 51.801 -0.131 26068 3345 1 7 . 1 1 79 79 ALA CB C 79 18.710 18.710 19.434 -0.724 26068 3346 1 7 . 1 1 79 79 ALA H H 79 8.490 8.490 8.328 0.162 26068 3347 1 7 . 1 1 80 80 GLY N N 80 109.540 109.540 110.893 -1.353 26068 3348 1 7 . 1 1 80 80 GLY C C 80 172.350 172.350 172.383 -0.033 26068 3349 1 7 . 1 1 80 80 GLY CA C 80 43.650 43.650 44.275 -0.625 26068 3350 1 7 . 1 1 80 80 GLY H H 80 7.960 7.960 8.605 -0.645 26068 3351 1 7 . 1 1 81 81 LYS N N 81 120.310 120.310 119.814 0.496 26068 3352 1 7 . 1 1 81 81 LYS C C 81 174.920 174.920 175.376 -0.456 26068 3353 1 7 . 1 1 81 81 LYS CA C 81 54.330 54.330 54.711 -0.381 26068 3354 1 7 . 1 1 81 81 LYS H H 81 8.330 8.330 8.203 0.127 26068 3355 1 7 . 1 1 82 82 LYS N N 82 121.710 121.710 121.313 0.397 26068 3356 1 7 . 1 1 82 82 LYS HA H 82 4.670 4.670 4.876 -0.206 26068 3357 1 7 . 1 1 82 82 LYS C C 82 173.360 173.360 174.504 -1.144 26068 3358 1 7 . 1 1 82 82 LYS CA C 82 53.910 53.910 54.784 -0.874 26068 3359 1 7 . 1 1 82 82 LYS CB C 82 35.200 35.200 36.985 -1.785 26068 3360 1 7 . 1 1 82 82 LYS H H 82 8.970 8.970 9.132 -0.162 26068 3361 1 7 . 1 1 83 83 ILE N N 83 123.310 123.310 115.292 8.018 26068 3362 1 7 . 1 1 83 83 ILE HA H 83 4.700 4.700 5.402 -0.702 26068 3363 1 7 . 1 1 83 83 ILE C C 83 173.820 173.820 174.876 -1.056 26068 3364 1 7 . 1 1 83 83 ILE CA C 83 60.200 60.200 59.102 1.098 26068 3365 1 7 . 1 1 83 83 ILE CB C 83 37.960 37.960 42.528 -4.568 26068 3366 1 7 . 1 1 83 83 ILE H H 83 8.470 8.470 8.324 0.146 26068 3367 1 7 . 1 1 84 84 LYS N N 84 127.190 127.190 121.110 6.080 26068 3368 1 7 . 1 1 84 84 LYS HA H 84 4.700 4.700 4.745 -0.045 26068 3369 1 7 . 1 1 84 84 LYS C C 84 173.770 173.770 174.382 -0.612 26068 3370 1 7 . 1 1 84 84 LYS CA C 84 53.260 53.260 54.315 -1.055 26068 3371 1 7 . 1 1 84 84 LYS CB C 84 35.070 35.070 36.018 -0.948 26068 3372 1 7 . 1 1 84 84 LYS H H 84 9.160 9.160 8.787 0.373 26068 3373 1 7 . 1 1 85 85 LEU N N 85 125.120 125.120 125.293 -0.173 26068 3374 1 7 . 1 1 85 85 LEU HA H 85 4.690 4.690 4.451 0.239 26068 3375 1 7 . 1 1 85 85 LEU C C 85 175.520 175.520 176.677 -1.157 26068 3376 1 7 . 1 1 85 85 LEU CA C 85 52.080 52.080 55.244 -3.164 26068 3377 1 7 . 1 1 85 85 LEU CB C 85 43.670 43.670 42.108 1.562 26068 3378 1 7 . 1 1 85 85 LEU H H 85 8.620 8.620 8.664 -0.044 26068 3379 1 7 . 1 1 86 86 THR N N 86 124.610 124.610 120.751 3.859 26068 3380 1 7 . 1 1 86 86 THR HA H 86 4.550 4.550 4.677 -0.127 26068 3381 1 7 . 1 1 86 86 THR C C 86 174.770 174.770 173.506 1.264 26068 3382 1 7 . 1 1 86 86 THR CA C 86 60.440 60.440 60.607 -0.167 26068 3383 1 7 . 1 1 86 86 THR CB C 86 68.040 68.040 70.160 -2.120 26068 3384 1 7 . 1 1 86 86 THR H H 86 8.770 8.770 8.999 -0.229 26068 3385 1 7 . 1 1 87 87 VAL C C 87 174.810 174.810 175.301 -0.491 26068 3386 1 7 . 1 1 87 87 VAL CA C 87 63.170 63.170 58.891 4.279 26068 3387 1 7 . 1 1 88 88 SER N N 88 122.640 122.640 118.892 3.748 26068 3388 1 7 . 1 1 88 88 SER HA H 88 4.470 4.470 4.608 -0.138 26068 3389 1 7 . 1 1 88 88 SER CA C 88 56.790 56.790 57.574 -0.784 26068 3390 1 7 . 1 1 88 88 SER H H 88 8.330 8.330 8.948 -0.618 26068 3391 1 7 . 1 1 89 89 LYS C C 89 176.560 176.560 177.783 -1.223 26068 3392 1 7 . 1 1 90 90 ILE N N 90 117.640 117.640 120.275 -2.635 26068 3393 1 7 . 1 1 90 90 ILE HA H 90 3.700 3.700 3.939 -0.239 26068 3394 1 7 . 1 1 90 90 ILE C C 90 178.250 178.250 175.840 2.410 26068 3395 1 7 . 1 1 90 90 ILE CA C 90 63.200 63.200 63.187 0.013 26068 3396 1 7 . 1 1 90 90 ILE CB C 90 36.230 36.230 38.264 -2.034 26068 3397 1 7 . 1 1 90 90 ILE H H 90 7.930 7.930 7.778 0.152 26068 3398 1 7 . 1 1 91 91 LEU N N 91 121.350 121.350 110.644 10.706 26068 3399 1 7 . 1 1 91 91 LEU HA H 91 4.210 4.210 5.077 -0.867 26068 3400 1 7 . 1 1 91 91 LEU C C 91 177.410 177.410 175.693 1.717 26068 3401 1 7 . 1 1 91 91 LEU CA C 91 56.750 56.750 54.448 2.302 26068 3402 1 7 . 1 1 91 91 LEU CB C 91 39.561 39.561 42.309 -2.748 26068 3403 1 7 . 1 1 91 91 LEU H H 91 7.380 7.380 7.455 -0.075 26068 3404 1 7 . 1 1 92 92 THR N N 92 113.940 113.940 115.531 -1.591 26068 3405 1 7 . 1 1 92 92 THR HA H 92 3.670 3.670 4.655 -0.985 26068 3406 1 7 . 1 1 92 92 THR C C 92 176.170 176.170 173.460 2.710 26068 3407 1 7 . 1 1 92 92 THR CA C 92 66.150 66.150 63.537 2.613 26068 3408 1 7 . 1 1 92 92 THR CB C 92 66.950 66.950 70.187 -3.237 26068 3409 1 7 . 1 1 92 92 THR H H 92 7.780 7.780 7.998 -0.218 26068 3410 1 7 . 1 1 93 93 ASP N N 93 121.580 121.580 124.991 -3.411 26068 3411 1 7 . 1 1 93 93 ASP HA H 93 4.360 4.360 4.721 -0.361 26068 3412 1 7 . 1 1 93 93 ASP C C 93 178.020 178.020 175.869 2.151 26068 3413 1 7 . 1 1 93 93 ASP CA C 93 56.140 56.140 53.820 2.320 26068 3414 1 7 . 1 1 93 93 ASP CB C 93 38.730 38.730 40.367 -1.637 26068 3415 1 7 . 1 1 93 93 ASP H H 93 8.790 8.790 8.113 0.677 26068 3416 1 7 . 1 1 94 94 ALA N N 94 124.610 124.610 125.534 -0.924 26068 3417 1 7 . 1 1 94 94 ALA HA H 94 4.130 4.130 4.157 -0.027 26068 3418 1 7 . 1 1 94 94 ALA C C 94 180.080 180.080 175.512 4.568 26068 3419 1 7 . 1 1 94 94 ALA CA C 94 54.120 54.120 53.145 0.975 26068 3420 1 7 . 1 1 94 94 ALA CB C 94 17.110 17.110 18.462 -1.352 26068 3421 1 7 . 1 1 94 94 ALA H H 94 8.050 8.050 8.294 -0.244 26068 3422 1 7 . 1 1 95 95 VAL N N 95 119.040 119.040 114.903 4.137 26068 3423 1 7 . 1 1 95 95 VAL HA H 95 3.650 3.650 4.196 -0.546 26068 3424 1 7 . 1 1 95 95 VAL C C 95 177.260 177.260 174.814 2.446 26068 3425 1 7 . 1 1 95 95 VAL CA C 95 65.350 65.350 60.805 4.545 26068 3426 1 7 . 1 1 95 95 VAL CB C 95 30.640 30.640 34.689 -4.049 26068 3427 1 7 . 1 1 95 95 VAL H H 95 8.110 8.110 7.510 0.600 26068 3428 1 7 . 1 1 96 96 ASP N N 96 119.550 119.550 123.362 -3.812 26068 3429 1 7 . 1 1 96 96 ASP HA H 96 4.460 4.460 4.355 0.105 26068 3430 1 7 . 1 1 96 96 ASP C C 96 176.710 176.710 177.310 -0.600 26068 3431 1 7 . 1 1 96 96 ASP CA C 96 55.790 55.790 56.947 -1.157 26068 3432 1 7 . 1 1 96 96 ASP CB C 96 40.140 40.140 39.552 0.588 26068 3433 1 7 . 1 1 96 96 ASP H H 96 7.970 7.970 8.788 -0.818 26068 3434 1 7 . 1 1 97 97 SER N N 97 112.600 112.600 118.030 -5.430 26068 3435 1 7 . 1 1 97 97 SER HA H 97 4.420 4.420 4.410 0.010 26068 3436 1 7 . 1 1 97 97 SER CA C 97 58.290 58.290 60.318 -2.027 26068 3437 1 7 . 1 1 97 97 SER CB C 97 62.720 62.720 64.477 -1.757 26068 3438 1 7 . 1 1 97 97 SER H H 97 7.870 7.870 8.198 -0.328 26068 3439 1 7 . 1 1 98 98 HIS N N 98 122.580 122.580 120.468 2.112 26068 3440 1 7 . 1 1 98 98 HIS HA H 98 4.090 4.090 4.848 -0.758 26068 3441 1 7 . 1 1 98 98 HIS C C 98 173.400 173.400 172.714 0.686 26068 3442 1 7 . 1 1 98 98 HIS CA C 98 57.400 57.400 55.335 2.065 26068 3443 1 7 . 1 1 98 98 HIS CB C 98 29.810 29.810 30.262 -0.452 26068 3444 1 7 . 1 1 98 98 HIS H H 98 7.340 7.340 7.487 -0.147 26068 3445 1 8 . 1 1 2 2 ALA N N 2 125.690 125.690 126.962 -1.272 26068 3446 1 8 . 1 1 2 2 ALA C C 2 176.530 176.530 176.572 -0.042 26068 3447 1 8 . 1 1 2 2 ALA CA C 2 51.730 51.730 51.874 -0.144 26068 3448 1 8 . 1 1 2 2 ALA H H 2 8.250 8.250 8.436 -0.186 26068 3449 1 8 . 1 1 3 3 LYS N N 3 121.040 121.040 123.851 -2.811 26068 3450 1 8 . 1 1 3 3 LYS C C 3 175.520 175.520 175.628 -0.108 26068 3451 1 8 . 1 1 3 3 LYS CA C 3 55.230 55.230 56.023 -0.793 26068 3452 1 8 . 1 1 3 3 LYS H H 3 8.210 8.210 8.337 -0.127 26068 3453 1 8 . 1 1 4 4 ILE N N 4 122.490 122.490 124.549 -2.059 26068 3454 1 8 . 1 1 4 4 ILE HA H 4 4.180 4.180 4.178 0.002 26068 3455 1 8 . 1 1 4 4 ILE C C 4 174.950 174.950 175.857 -0.907 26068 3456 1 8 . 1 1 4 4 ILE CA C 4 59.870 59.870 60.855 -0.985 26068 3457 1 8 . 1 1 4 4 ILE H H 4 8.170 8.170 8.461 -0.291 26068 3458 1 8 . 1 1 5 5 LYS N N 5 126.600 126.600 128.712 -2.112 26068 3459 1 8 . 1 1 5 5 LYS C C 5 174.330 174.330 176.238 -1.908 26068 3460 1 8 . 1 1 5 5 LYS CA C 5 55.060 55.060 56.529 -1.469 26068 3461 1 8 . 1 1 5 5 LYS H H 5 8.320 8.320 8.412 -0.092 26068 3462 1 8 . 1 1 6 6 SER N N 6 118.400 118.400 119.525 -1.125 26068 3463 1 8 . 1 1 6 6 SER C C 6 174.220 174.220 174.616 -0.396 26068 3464 1 8 . 1 1 6 6 SER CA C 6 56.300 56.300 57.885 -1.585 26068 3465 1 8 . 1 1 6 6 SER H H 6 8.200 8.200 8.305 -0.105 26068 3466 1 8 . 1 1 7 7 LEU N N 7 125.400 125.400 122.074 3.326 26068 3467 1 8 . 1 1 7 7 LEU C C 7 177.730 177.730 175.485 2.245 26068 3468 1 8 . 1 1 7 7 LEU CA C 7 54.950 54.950 54.593 0.357 26068 3469 1 8 . 1 1 7 7 LEU CB C 7 42.000 42.000 43.640 -1.640 26068 3470 1 8 . 1 1 7 7 LEU H H 7 9.050 9.050 8.340 0.710 26068 3471 1 8 . 1 1 8 8 SER N N 8 124.870 124.870 115.133 9.737 26068 3472 1 8 . 1 1 8 8 SER HA H 8 4.510 4.510 4.623 -0.113 26068 3473 1 8 . 1 1 8 8 SER C C 8 173.810 173.810 175.508 -1.698 26068 3474 1 8 . 1 1 8 8 SER CA C 8 56.740 56.740 57.684 -0.944 26068 3475 1 8 . 1 1 8 8 SER CB C 8 64.390 64.390 64.025 0.365 26068 3476 1 8 . 1 1 8 8 SER H H 8 9.140 9.140 8.239 0.901 26068 3477 1 8 . 1 1 9 9 ALA N N 9 124.340 124.340 124.036 0.304 26068 3478 1 8 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.510 -0.110 26068 3479 1 8 . 1 1 9 9 ALA C C 9 178.940 178.940 178.848 0.092 26068 3480 1 8 . 1 1 9 9 ALA CA C 9 54.940 54.940 53.684 1.256 26068 3481 1 8 . 1 1 9 9 ALA H H 9 8.710 8.710 8.436 0.274 26068 3482 1 8 . 1 1 10 10 ALA N N 10 117.990 117.990 120.075 -2.085 26068 3483 1 8 . 1 1 10 10 ALA C C 10 180.600 180.600 178.192 2.408 26068 3484 1 8 . 1 1 10 10 ALA CA C 10 54.380 54.380 53.422 0.958 26068 3485 1 8 . 1 1 10 10 ALA CB C 10 17.240 17.240 18.713 -1.473 26068 3486 1 8 . 1 1 10 10 ALA H H 10 8.380 8.380 8.125 0.255 26068 3487 1 8 . 1 1 11 11 GLU N N 11 118.900 118.900 118.068 0.832 26068 3488 1 8 . 1 1 11 11 GLU HA H 11 4.040 4.040 4.370 -0.330 26068 3489 1 8 . 1 1 11 11 GLU C C 11 177.770 177.770 176.801 0.969 26068 3490 1 8 . 1 1 11 11 GLU CA C 11 58.210 58.210 56.308 1.902 26068 3491 1 8 . 1 1 11 11 GLU CB C 11 29.310 29.310 29.594 -0.284 26068 3492 1 8 . 1 1 11 11 GLU H H 11 7.780 7.780 8.051 -0.271 26068 3493 1 8 . 1 1 12 12 TYR N N 12 125.590 125.590 119.699 5.891 26068 3494 1 8 . 1 1 12 12 TYR C C 12 179.280 179.280 176.660 2.620 26068 3495 1 8 . 1 1 12 12 TYR CA C 12 59.690 59.690 59.929 -0.239 26068 3496 1 8 . 1 1 12 12 TYR CB C 12 37.530 37.530 39.269 -1.739 26068 3497 1 8 . 1 1 12 12 TYR H H 12 8.800 8.800 7.750 1.050 26068 3498 1 8 . 1 1 13 13 LEU N N 13 118.240 118.240 118.823 -0.583 26068 3499 1 8 . 1 1 13 13 LEU HA H 13 4.130 4.130 3.744 0.386 26068 3500 1 8 . 1 1 13 13 LEU C C 13 177.790 177.790 178.990 -1.200 26068 3501 1 8 . 1 1 13 13 LEU CA C 13 58.180 58.180 57.768 0.412 26068 3502 1 8 . 1 1 13 13 LEU CB C 13 41.290 41.290 41.105 0.186 26068 3503 1 8 . 1 1 13 13 LEU H H 13 8.770 8.770 7.805 0.965 26068 3504 1 8 . 1 1 14 14 LYS N N 14 118.870 118.870 117.119 1.751 26068 3505 1 8 . 1 1 14 14 LYS HA H 14 3.980 3.980 4.015 -0.035 26068 3506 1 8 . 1 1 14 14 LYS C C 14 177.090 177.090 178.287 -1.197 26068 3507 1 8 . 1 1 14 14 LYS CA C 14 58.610 58.610 58.354 0.256 26068 3508 1 8 . 1 1 14 14 LYS CB C 14 31.220 31.220 31.319 -0.099 26068 3509 1 8 . 1 1 14 14 LYS H H 14 7.790 7.790 8.497 -0.707 26068 3510 1 8 . 1 1 15 15 GLU N N 15 119.560 119.560 118.496 1.064 26068 3511 1 8 . 1 1 15 15 GLU HA H 15 4.050 4.050 4.286 -0.236 26068 3512 1 8 . 1 1 15 15 GLU C C 15 179.660 179.660 176.665 2.995 26068 3513 1 8 . 1 1 15 15 GLU CA C 15 59.260 59.260 56.660 2.600 26068 3514 1 8 . 1 1 15 15 GLU CB C 15 28.010 28.010 29.702 -1.692 26068 3515 1 8 . 1 1 15 15 GLU H H 15 8.330 8.330 7.756 0.574 26068 3516 1 8 . 1 1 16 16 MET N N 16 116.760 116.760 118.676 -1.916 26068 3517 1 8 . 1 1 16 16 MET HA H 16 4.420 4.420 4.523 -0.103 26068 3518 1 8 . 1 1 16 16 MET C C 16 178.960 178.960 176.203 2.757 26068 3519 1 8 . 1 1 16 16 MET CA C 16 58.200 58.200 54.283 3.917 26068 3520 1 8 . 1 1 16 16 MET CB C 16 34.370 34.370 32.844 1.526 26068 3521 1 8 . 1 1 16 16 MET H H 16 7.940 7.940 7.832 0.108 26068 3522 1 8 . 1 1 17 17 ALA N N 17 128.000 128.000 122.860 5.140 26068 3523 1 8 . 1 1 17 17 ALA HA H 17 4.210 4.210 3.962 0.248 26068 3524 1 8 . 1 1 17 17 ALA C C 17 179.620 179.620 177.729 1.891 26068 3525 1 8 . 1 1 17 17 ALA CA C 17 54.760 54.760 55.216 -0.456 26068 3526 1 8 . 1 1 17 17 ALA CB C 17 17.750 17.750 18.694 -0.944 26068 3527 1 8 . 1 1 17 17 ALA H H 17 8.820 8.820 7.623 1.197 26068 3528 1 8 . 1 1 18 18 ASP N N 18 119.660 119.660 115.815 3.845 26068 3529 1 8 . 1 1 18 18 ASP HA H 18 4.420 4.420 4.417 0.003 26068 3530 1 8 . 1 1 18 18 ASP C C 18 177.750 177.750 177.301 0.449 26068 3531 1 8 . 1 1 18 18 ASP CA C 18 55.790 55.790 55.452 0.338 26068 3532 1 8 . 1 1 18 18 ASP CB C 18 38.980 38.980 40.395 -1.415 26068 3533 1 8 . 1 1 18 18 ASP H H 18 8.770 8.770 8.158 0.612 26068 3534 1 8 . 1 1 19 19 GLU N N 19 117.150 117.150 118.724 -1.574 26068 3535 1 8 . 1 1 19 19 GLU HA H 19 4.190 4.190 4.179 0.011 26068 3536 1 8 . 1 1 19 19 GLU C C 19 177.540 177.540 176.583 0.957 26068 3537 1 8 . 1 1 19 19 GLU CA C 19 57.750 57.750 57.009 0.741 26068 3538 1 8 . 1 1 19 19 GLU CB C 19 29.360 29.360 29.552 -0.192 26068 3539 1 8 . 1 1 19 19 GLU H H 19 7.620 7.620 8.348 -0.728 26068 3540 1 8 . 1 1 20 20 THR N N 20 105.730 105.730 111.935 -6.205 26068 3541 1 8 . 1 1 20 20 THR HA H 20 4.120 4.120 4.640 -0.520 26068 3542 1 8 . 1 1 20 20 THR C C 20 174.800 174.800 173.884 0.916 26068 3543 1 8 . 1 1 20 20 THR CA C 20 62.200 62.200 60.919 1.280 26068 3544 1 8 . 1 1 20 20 THR CB C 20 70.870 70.870 69.422 1.448 26068 3545 1 8 . 1 1 20 20 THR H H 20 7.900 7.900 7.811 0.089 26068 3546 1 8 . 1 1 21 21 ASN N N 21 116.950 116.950 123.046 -6.096 26068 3547 1 8 . 1 1 21 21 ASN HA H 21 4.390 4.390 4.753 -0.363 26068 3548 1 8 . 1 1 21 21 ASN C C 21 173.060 173.060 175.408 -2.348 26068 3549 1 8 . 1 1 21 21 ASN CA C 21 54.210 54.210 54.075 0.135 26068 3550 1 8 . 1 1 21 21 ASN CB C 21 36.870 36.870 39.538 -2.668 26068 3551 1 8 . 1 1 21 21 ASN H H 21 8.460 8.460 8.408 0.052 26068 3552 1 8 . 1 1 22 22 ILE N N 22 121.830 121.830 114.983 6.847 26068 3553 1 8 . 1 1 22 22 ILE HA H 22 4.140 4.140 4.290 -0.150 26068 3554 1 8 . 1 1 22 22 ILE C C 22 174.780 174.780 175.434 -0.654 26068 3555 1 8 . 1 1 22 22 ILE CA C 22 59.100 59.100 61.885 -2.785 26068 3556 1 8 . 1 1 22 22 ILE CB C 22 37.060 37.060 38.843 -1.784 26068 3557 1 8 . 1 1 22 22 ILE H H 22 7.680 7.680 8.088 -0.408 26068 3558 1 8 . 1 1 23 23 LYS N N 23 124.750 124.750 119.695 5.055 26068 3559 1 8 . 1 1 23 23 LYS HA H 23 4.140 4.140 4.521 -0.381 26068 3560 1 8 . 1 1 23 23 LYS C C 23 178.550 178.550 174.166 4.384 26068 3561 1 8 . 1 1 23 23 LYS CA C 23 55.940 55.940 55.427 0.513 26068 3562 1 8 . 1 1 23 23 LYS CB C 23 31.670 31.670 35.417 -3.747 26068 3563 1 8 . 1 1 23 23 LYS H H 23 8.510 8.510 7.223 1.287 26068 3564 1 8 . 1 1 24 24 VAL N N 24 122.570 122.570 118.893 3.677 26068 3565 1 8 . 1 1 24 24 VAL C C 24 176.350 176.350 175.996 0.354 26068 3566 1 8 . 1 1 24 24 VAL CA C 24 66.090 66.090 63.740 2.350 26068 3567 1 8 . 1 1 24 24 VAL CB C 24 30.640 30.640 33.327 -2.687 26068 3568 1 8 . 1 1 24 24 VAL H H 24 8.800 8.800 8.882 -0.082 26068 3569 1 8 . 1 1 25 25 GLN N N 25 117.730 117.730 118.395 -0.665 26068 3570 1 8 . 1 1 25 25 GLN C C 25 177.420 177.420 176.230 1.190 26068 3571 1 8 . 1 1 25 25 GLN CA C 25 58.500 58.500 57.243 1.256 26068 3572 1 8 . 1 1 25 25 GLN CB C 25 26.800 26.800 28.986 -2.186 26068 3573 1 8 . 1 1 25 25 GLN H H 25 8.950 8.950 8.435 0.515 26068 3574 1 8 . 1 1 26 26 ASP N N 26 120.360 120.360 120.995 -0.635 26068 3575 1 8 . 1 1 26 26 ASP HA H 26 4.610 4.610 4.545 0.065 26068 3576 1 8 . 1 1 26 26 ASP C C 26 177.320 177.320 176.548 0.772 26068 3577 1 8 . 1 1 26 26 ASP CA C 26 55.980 55.980 56.394 -0.414 26068 3578 1 8 . 1 1 26 26 ASP CB C 26 39.240 39.240 39.749 -0.509 26068 3579 1 8 . 1 1 26 26 ASP H H 26 7.100 7.100 8.804 -1.704 26068 3580 1 8 . 1 1 27 27 ILE N N 27 120.730 120.730 117.948 2.782 26068 3581 1 8 . 1 1 27 27 ILE C C 27 177.470 177.470 177.306 0.164 26068 3582 1 8 . 1 1 27 27 ILE CA C 27 65.110 65.110 62.181 2.929 26068 3583 1 8 . 1 1 27 27 ILE CB C 27 35.840 35.840 37.534 -1.694 26068 3584 1 8 . 1 1 27 27 ILE H H 27 7.950 7.950 7.320 0.630 26068 3585 1 8 . 1 1 28 28 ARG N N 28 118.340 118.340 120.295 -1.955 26068 3586 1 8 . 1 1 28 28 ARG C C 28 178.150 178.150 179.118 -0.968 26068 3587 1 8 . 1 1 28 28 ARG CA C 28 59.040 59.040 59.537 -0.497 26068 3588 1 8 . 1 1 28 28 ARG CB C 28 28.910 28.910 29.961 -1.051 26068 3589 1 8 . 1 1 28 28 ARG H H 28 8.640 8.640 7.738 0.902 26068 3590 1 8 . 1 1 29 29 LEU N N 29 119.800 119.800 117.394 2.406 26068 3591 1 8 . 1 1 29 29 LEU HA H 29 4.050 4.050 4.152 -0.102 26068 3592 1 8 . 1 1 29 29 LEU C C 29 178.970 178.970 177.980 0.990 26068 3593 1 8 . 1 1 29 29 LEU CA C 29 57.150 57.150 56.773 0.377 26068 3594 1 8 . 1 1 29 29 LEU CB C 29 40.840 40.840 41.667 -0.827 26068 3595 1 8 . 1 1 29 29 LEU H H 29 7.340 7.340 7.824 -0.484 26068 3596 1 8 . 1 1 30 30 VAL N N 30 120.200 120.200 117.214 2.986 26068 3597 1 8 . 1 1 30 30 VAL HA H 30 3.410 3.410 3.708 -0.298 26068 3598 1 8 . 1 1 30 30 VAL C C 30 176.580 176.580 177.946 -1.366 26068 3599 1 8 . 1 1 30 30 VAL CA C 30 66.490 66.490 65.717 0.773 26068 3600 1 8 . 1 1 30 30 VAL CB C 30 30.390 30.390 31.931 -1.542 26068 3601 1 8 . 1 1 30 30 VAL H H 30 7.930 7.930 7.138 0.792 26068 3602 1 8 . 1 1 31 31 VAL N N 31 119.110 119.110 118.800 0.310 26068 3603 1 8 . 1 1 31 31 VAL HA H 31 3.210 3.210 3.657 -0.447 26068 3604 1 8 . 1 1 31 31 VAL C C 31 177.750 177.750 177.703 0.047 26068 3605 1 8 . 1 1 31 31 VAL CA C 31 66.040 66.040 65.923 0.117 26068 3606 1 8 . 1 1 31 31 VAL CB C 31 29.870 29.870 30.709 -0.839 26068 3607 1 8 . 1 1 31 31 VAL H H 31 8.520 8.520 7.490 1.030 26068 3608 1 8 . 1 1 32 32 THR N N 32 118.400 118.400 113.619 4.781 26068 3609 1 8 . 1 1 32 32 THR C C 32 175.680 175.680 175.637 0.043 26068 3610 1 8 . 1 1 32 32 THR CA C 32 66.440 66.440 65.495 0.945 26068 3611 1 8 . 1 1 32 32 THR CB C 32 67.470 67.470 68.666 -1.196 26068 3612 1 8 . 1 1 32 32 THR H H 32 8.220 8.220 7.779 0.441 26068 3613 1 8 . 1 1 33 33 SER N N 33 118.470 118.470 117.172 1.298 26068 3614 1 8 . 1 1 33 33 SER HA H 33 4.330 4.330 4.366 -0.036 26068 3615 1 8 . 1 1 33 33 SER C C 33 175.560 175.560 176.424 -0.864 26068 3616 1 8 . 1 1 33 33 SER CA C 33 60.860 60.860 60.967 -0.107 26068 3617 1 8 . 1 1 33 33 SER CB C 33 62.720 62.720 63.595 -0.875 26068 3618 1 8 . 1 1 33 33 SER H H 33 7.820 7.820 7.790 0.030 26068 3619 1 8 . 1 1 34 34 LEU N N 34 120.790 120.790 124.074 -3.284 26068 3620 1 8 . 1 1 34 34 LEU C C 34 180.120 180.120 178.747 1.373 26068 3621 1 8 . 1 1 34 34 LEU CA C 34 58.680 58.680 58.279 0.401 26068 3622 1 8 . 1 1 34 34 LEU CB C 34 41.870 41.870 41.413 0.457 26068 3623 1 8 . 1 1 34 34 LEU H H 34 8.940 8.940 7.503 1.437 26068 3624 1 8 . 1 1 35 35 GLN N N 35 117.680 117.680 116.170 1.510 26068 3625 1 8 . 1 1 35 35 GLN HA H 35 3.800 3.800 3.977 -0.177 26068 3626 1 8 . 1 1 35 35 GLN C C 35 176.160 176.160 178.581 -2.421 26068 3627 1 8 . 1 1 35 35 GLN CA C 35 58.910 58.910 58.090 0.820 26068 3628 1 8 . 1 1 35 35 GLN CB C 35 29.040 29.040 27.836 1.204 26068 3629 1 8 . 1 1 35 35 GLN H H 35 7.670 7.670 8.432 -0.762 26068 3630 1 8 . 1 1 36 36 LYS N N 36 124.070 124.070 118.940 5.130 26068 3631 1 8 . 1 1 36 36 LYS HA H 36 4.000 4.000 4.178 -0.178 26068 3632 1 8 . 1 1 36 36 LYS C C 36 178.720 178.720 178.442 0.278 26068 3633 1 8 . 1 1 36 36 LYS CA C 36 59.100 59.100 58.336 0.764 26068 3634 1 8 . 1 1 36 36 LYS CB C 36 31.480 31.480 32.505 -1.025 26068 3635 1 8 . 1 1 36 36 LYS H H 36 8.100 8.100 7.432 0.668 26068 3636 1 8 . 1 1 37 37 VAL N N 37 120.470 120.470 119.615 0.855 26068 3637 1 8 . 1 1 37 37 VAL HA H 37 3.420 3.420 3.761 -0.341 26068 3638 1 8 . 1 1 37 37 VAL C C 37 176.250 176.250 177.176 -0.926 26068 3639 1 8 . 1 1 37 37 VAL CA C 37 65.610 65.610 65.745 -0.135 26068 3640 1 8 . 1 1 37 37 VAL H H 37 8.560 8.560 7.365 1.195 26068 3641 1 8 . 1 1 38 38 LEU N N 38 119.990 119.990 119.483 0.507 26068 3642 1 8 . 1 1 38 38 LEU C C 38 176.920 176.920 178.223 -1.303 26068 3643 1 8 . 1 1 38 38 LEU CA C 38 57.720 57.720 57.377 0.343 26068 3644 1 8 . 1 1 38 38 LEU CB C 38 41.040 41.040 41.474 -0.434 26068 3645 1 8 . 1 1 38 38 LEU H H 38 7.120 7.120 7.782 -0.662 26068 3646 1 8 . 1 1 39 39 ALA N N 39 117.870 117.870 119.705 -1.835 26068 3647 1 8 . 1 1 39 39 ALA HA H 39 3.780 3.780 4.108 -0.328 26068 3648 1 8 . 1 1 39 39 ALA C C 39 177.770 177.770 178.287 -0.517 26068 3649 1 8 . 1 1 39 39 ALA CA C 39 53.910 53.910 54.100 -0.190 26068 3650 1 8 . 1 1 39 39 ALA CB C 39 17.370 17.370 18.186 -0.816 26068 3651 1 8 . 1 1 39 39 ALA H H 39 7.540 7.540 7.830 -0.290 26068 3652 1 8 . 1 1 40 40 LYS N N 40 117.340 117.340 118.443 -1.103 26068 3653 1 8 . 1 1 40 40 LYS HA H 40 3.220 3.220 4.228 -1.008 26068 3654 1 8 . 1 1 40 40 LYS C C 40 179.390 179.390 178.750 0.640 26068 3655 1 8 . 1 1 40 40 LYS CA C 40 58.170 58.170 58.997 -0.827 26068 3656 1 8 . 1 1 40 40 LYS CB C 40 29.750 29.750 32.907 -3.157 26068 3657 1 8 . 1 1 40 40 LYS H H 40 7.760 7.760 7.518 0.242 26068 3658 1 8 . 1 1 41 41 GLU N N 41 119.510 119.510 121.617 -2.107 26068 3659 1 8 . 1 1 41 41 GLU HA H 41 3.900 3.900 4.250 -0.350 26068 3660 1 8 . 1 1 41 41 GLU C C 41 179.390 179.390 179.044 0.346 26068 3661 1 8 . 1 1 41 41 GLU CA C 41 57.850 57.850 58.759 -0.909 26068 3662 1 8 . 1 1 41 41 GLU CB C 41 28.720 28.720 29.559 -0.839 26068 3663 1 8 . 1 1 41 41 GLU H H 41 8.810 8.810 7.635 1.175 26068 3664 1 8 . 1 1 42 42 LEU N N 42 120.430 120.430 118.496 1.934 26068 3665 1 8 . 1 1 42 42 LEU HA H 42 3.670 3.670 4.248 -0.578 26068 3666 1 8 . 1 1 42 42 LEU C C 42 176.370 176.370 178.332 -1.962 26068 3667 1 8 . 1 1 42 42 LEU CA C 42 57.650 57.650 56.867 0.783 26068 3668 1 8 . 1 1 42 42 LEU CB C 42 41.040 41.040 41.914 -0.874 26068 3669 1 8 . 1 1 42 42 LEU H H 42 8.200 8.200 7.672 0.528 26068 3670 1 8 . 1 1 43 43 ALA N N 43 117.000 117.000 118.187 -1.187 26068 3671 1 8 . 1 1 43 43 ALA HA H 43 4.030 4.030 4.228 -0.198 26068 3672 1 8 . 1 1 43 43 ALA C C 43 177.510 177.510 178.215 -0.705 26068 3673 1 8 . 1 1 43 43 ALA CA C 43 53.130 53.130 53.922 -0.792 26068 3674 1 8 . 1 1 43 43 ALA CB C 43 19.230 19.230 19.210 0.020 26068 3675 1 8 . 1 1 43 43 ALA H H 43 7.850 7.850 7.798 0.052 26068 3676 1 8 . 1 1 44 44 THR N N 44 107.520 107.520 108.272 -0.752 26068 3677 1 8 . 1 1 44 44 THR HA H 44 4.370 4.370 4.444 -0.074 26068 3678 1 8 . 1 1 44 44 THR C C 44 174.160 174.160 174.585 -0.425 26068 3679 1 8 . 1 1 44 44 THR CA C 44 61.030 61.030 61.849 -0.819 26068 3680 1 8 . 1 1 44 44 THR CB C 44 69.200 69.200 69.647 -0.447 26068 3681 1 8 . 1 1 44 44 THR H H 44 7.570 7.570 7.460 0.110 26068 3682 1 8 . 1 1 45 45 THR N N 45 120.020 120.020 114.472 5.548 26068 3683 1 8 . 1 1 45 45 THR HA H 45 4.170 4.170 4.019 0.151 26068 3684 1 8 . 1 1 45 45 THR C C 45 175.160 175.160 173.498 1.662 26068 3685 1 8 . 1 1 45 45 THR CA C 45 63.160 63.160 62.955 0.205 26068 3686 1 8 . 1 1 45 45 THR CB C 45 68.750 68.750 67.173 1.577 26068 3687 1 8 . 1 1 45 45 THR H H 45 8.690 8.690 7.890 0.800 26068 3688 1 8 . 1 1 46 46 GLY N N 46 108.110 108.110 108.289 -0.179 26068 3689 1 8 . 1 1 46 46 GLY C C 46 171.890 171.890 171.946 -0.056 26068 3690 1 8 . 1 1 46 46 GLY CA C 46 44.600 44.600 44.034 0.566 26068 3691 1 8 . 1 1 46 46 GLY H H 46 8.300 8.300 8.009 0.291 26068 3692 1 8 . 1 1 47 47 GLU N N 47 115.320 115.320 121.074 -5.754 26068 3693 1 8 . 1 1 47 47 GLU HA H 47 5.330 5.330 4.467 0.863 26068 3694 1 8 . 1 1 47 47 GLU C C 47 173.280 173.280 175.850 -2.570 26068 3695 1 8 . 1 1 47 47 GLU CA C 47 54.060 54.060 56.058 -1.998 26068 3696 1 8 . 1 1 47 47 GLU CB C 47 32.280 32.280 31.548 0.732 26068 3697 1 8 . 1 1 47 47 GLU H H 47 7.210 7.210 8.391 -1.181 26068 3698 1 8 . 1 1 48 48 VAL N N 48 118.460 118.460 123.276 -4.816 26068 3699 1 8 . 1 1 48 48 VAL HA H 48 4.450 4.450 4.368 0.082 26068 3700 1 8 . 1 1 48 48 VAL C C 48 171.500 171.500 174.208 -2.708 26068 3701 1 8 . 1 1 48 48 VAL CA C 48 60.080 60.080 61.535 -1.456 26068 3702 1 8 . 1 1 48 48 VAL CB C 48 32.510 32.510 35.191 -2.681 26068 3703 1 8 . 1 1 48 48 VAL H H 48 8.810 8.810 8.461 0.349 26068 3704 1 8 . 1 1 49 49 ARG N N 49 129.960 129.960 127.214 2.746 26068 3705 1 8 . 1 1 49 49 ARG HA H 49 4.700 4.700 4.643 0.057 26068 3706 1 8 . 1 1 49 49 ARG C C 49 173.520 173.520 175.753 -2.233 26068 3707 1 8 . 1 1 49 49 ARG CA C 49 54.960 54.960 55.464 -0.504 26068 3708 1 8 . 1 1 49 49 ARG CB C 49 29.170 29.170 30.846 -1.676 26068 3709 1 8 . 1 1 49 49 ARG H H 49 9.510 9.510 8.653 0.857 26068 3710 1 8 . 1 1 50 50 LEU N N 50 129.550 129.550 127.809 1.741 26068 3711 1 8 . 1 1 50 50 LEU HA H 50 4.440 4.440 4.678 -0.238 26068 3712 1 8 . 1 1 50 50 LEU C C 50 171.890 171.890 175.430 -3.540 26068 3713 1 8 . 1 1 50 50 LEU CA C 50 51.100 51.100 53.293 -2.193 26068 3714 1 8 . 1 1 50 50 LEU CB C 50 41.740 41.740 43.274 -1.534 26068 3715 1 8 . 1 1 50 50 LEU H H 50 8.960 8.960 8.897 0.063 26068 3716 1 8 . 1 1 51 51 PHE N N 51 122.720 122.720 127.090 -4.370 26068 3717 1 8 . 1 1 51 51 PHE HA H 51 3.750 3.750 4.301 -0.551 26068 3718 1 8 . 1 1 51 51 PHE C C 51 173.520 173.520 175.718 -2.198 26068 3719 1 8 . 1 1 51 51 PHE CA C 51 59.750 59.750 59.542 0.208 26068 3720 1 8 . 1 1 51 51 PHE CB C 51 36.610 36.610 39.144 -2.534 26068 3721 1 8 . 1 1 51 51 PHE H H 51 7.960 7.960 8.869 -0.909 26068 3722 1 8 . 1 1 52 52 ASP N N 52 122.670 122.670 124.310 -1.640 26068 3723 1 8 . 1 1 52 52 ASP HA H 52 5.070 5.070 4.121 0.949 26068 3724 1 8 . 1 1 52 52 ASP C C 52 175.160 175.160 175.104 0.056 26068 3725 1 8 . 1 1 52 52 ASP CA C 52 53.380 53.380 54.611 -1.230 26068 3726 1 8 . 1 1 52 52 ASP CB C 52 39.950 39.950 39.252 0.698 26068 3727 1 8 . 1 1 52 52 ASP H H 52 8.690 8.690 8.077 0.613 26068 3728 1 8 . 1 1 53 53 ILE N N 53 121.190 121.190 119.142 2.048 26068 3729 1 8 . 1 1 53 53 ILE HA H 53 3.980 3.980 4.119 -0.139 26068 3730 1 8 . 1 1 53 53 ILE C C 53 174.950 174.950 175.073 -0.123 26068 3731 1 8 . 1 1 53 53 ILE CA C 53 63.530 63.530 62.718 0.812 26068 3732 1 8 . 1 1 53 53 ILE CB C 53 37.000 37.000 39.781 -2.781 26068 3733 1 8 . 1 1 53 53 ILE H H 53 8.710 8.710 7.936 0.774 26068 3734 1 8 . 1 1 54 54 GLY N N 54 101.400 101.400 106.171 -4.771 26068 3735 1 8 . 1 1 54 54 GLY C C 54 169.840 169.840 171.675 -1.835 26068 3736 1 8 . 1 1 54 54 GLY CA C 54 43.740 43.740 44.883 -1.143 26068 3737 1 8 . 1 1 54 54 GLY H H 54 6.690 6.690 8.230 -1.540 26068 3738 1 8 . 1 1 55 55 LYS N N 55 119.440 119.440 119.574 -0.134 26068 3739 1 8 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.899 0.031 26068 3740 1 8 . 1 1 55 55 LYS C C 55 174.340 174.340 174.815 -0.475 26068 3741 1 8 . 1 1 55 55 LYS CA C 55 54.190 54.190 55.166 -0.976 26068 3742 1 8 . 1 1 55 55 LYS CB C 55 33.660 33.660 36.151 -2.491 26068 3743 1 8 . 1 1 55 55 LYS H H 55 8.110 8.110 7.896 0.214 26068 3744 1 8 . 1 1 56 56 PHE N N 56 128.540 128.540 122.422 6.118 26068 3745 1 8 . 1 1 56 56 PHE HA H 56 5.170 5.170 4.766 0.404 26068 3746 1 8 . 1 1 56 56 PHE C C 56 174.040 174.040 174.579 -0.539 26068 3747 1 8 . 1 1 56 56 PHE CA C 56 56.140 56.140 57.883 -1.744 26068 3748 1 8 . 1 1 56 56 PHE CB C 56 41.100 41.100 38.926 2.174 26068 3749 1 8 . 1 1 56 56 PHE H H 56 9.420 9.420 8.947 0.472 26068 3750 1 8 . 1 1 57 57 LYS N N 57 120.820 120.820 124.869 -4.049 26068 3751 1 8 . 1 1 57 57 LYS HA H 57 5.030 5.030 4.728 0.302 26068 3752 1 8 . 1 1 57 57 LYS C C 57 173.280 173.280 174.740 -1.460 26068 3753 1 8 . 1 1 57 57 LYS CA C 57 54.190 54.190 54.383 -0.193 26068 3754 1 8 . 1 1 57 57 LYS CB C 57 36.420 36.420 35.703 0.717 26068 3755 1 8 . 1 1 57 57 LYS H H 57 9.060 9.060 9.119 -0.059 26068 3756 1 8 . 1 1 58 58 LEU N N 58 125.690 125.690 126.334 -0.644 26068 3757 1 8 . 1 1 58 58 LEU HA H 58 4.950 4.950 4.740 0.210 26068 3758 1 8 . 1 1 58 58 LEU C C 58 175.180 175.180 176.765 -1.585 26068 3759 1 8 . 1 1 58 58 LEU CA C 58 52.890 52.890 54.629 -1.739 26068 3760 1 8 . 1 1 58 58 LEU CB C 58 42.320 42.320 42.003 0.317 26068 3761 1 8 . 1 1 58 58 LEU H H 58 8.420 8.420 8.575 -0.155 26068 3762 1 8 . 1 1 59 59 VAL N N 59 125.770 125.770 119.900 5.870 26068 3763 1 8 . 1 1 59 59 VAL HA H 59 4.540 4.540 4.829 -0.289 26068 3764 1 8 . 1 1 59 59 VAL C C 59 174.690 174.690 174.196 0.494 26068 3765 1 8 . 1 1 59 59 VAL CA C 59 59.780 59.780 59.443 0.337 26068 3766 1 8 . 1 1 59 59 VAL CB C 59 32.950 32.950 36.015 -3.065 26068 3767 1 8 . 1 1 59 59 VAL H H 59 9.260 9.260 8.903 0.357 26068 3768 1 8 . 1 1 60 60 THR N N 60 119.180 119.180 115.945 3.235 26068 3769 1 8 . 1 1 60 60 THR C C 60 174.250 174.250 174.378 -0.128 26068 3770 1 8 . 1 1 60 60 THR CA C 60 60.740 60.740 60.688 0.052 26068 3771 1 8 . 1 1 60 60 THR CB C 60 65.260 65.260 70.421 -5.161 26068 3772 1 8 . 1 1 60 60 THR H H 60 8.480 8.480 8.220 0.261 26068 3773 1 8 . 1 1 61 61 THR N N 61 117.840 117.840 117.843 -0.003 26068 3774 1 8 . 1 1 61 61 THR C C 61 173.550 173.550 174.398 -0.848 26068 3775 1 8 . 1 1 61 61 THR CA C 61 59.290 59.290 61.136 -1.847 26068 3776 1 8 . 1 1 61 61 THR H H 61 8.610 8.610 8.445 0.165 26068 3777 1 8 . 1 1 62 62 LYS N N 62 122.610 122.610 128.257 -5.647 26068 3778 1 8 . 1 1 62 62 LYS HA H 62 4.480 4.480 4.121 0.359 26068 3779 1 8 . 1 1 62 62 LYS CA C 62 53.750 53.750 56.119 -2.369 26068 3780 1 8 . 1 1 62 62 LYS H H 62 8.380 8.380 8.525 -0.145 26068 3781 1 8 . 1 1 63 63 PRO C C 63 176.780 176.780 176.356 0.424 26068 3782 1 8 . 1 1 64 64 ARG N N 64 116.830 116.830 116.741 0.089 26068 3783 1 8 . 1 1 64 64 ARG C C 64 177.070 177.070 174.833 2.237 26068 3784 1 8 . 1 1 64 64 ARG CA C 64 57.230 57.230 55.069 2.161 26068 3785 1 8 . 1 1 64 64 ARG H H 64 8.130 8.130 8.692 -0.562 26068 3786 1 8 . 1 1 65 65 THR N N 65 127.240 127.240 113.588 13.652 26068 3787 1 8 . 1 1 65 65 THR C C 65 173.780 173.780 173.034 0.746 26068 3788 1 8 . 1 1 65 65 THR CA C 65 60.680 60.680 60.706 -0.027 26068 3789 1 8 . 1 1 65 65 THR H H 65 7.370 7.370 8.224 -0.854 26068 3790 1 8 . 1 1 66 66 GLY N N 66 112.840 112.840 112.110 0.730 26068 3791 1 8 . 1 1 66 66 GLY C C 66 171.630 171.630 172.099 -0.469 26068 3792 1 8 . 1 1 66 66 GLY CA C 66 43.610 43.610 44.111 -0.501 26068 3793 1 8 . 1 1 66 66 GLY H H 66 8.760 8.760 8.848 -0.088 26068 3794 1 8 . 1 1 67 67 ILE N N 67 119.560 119.560 114.678 4.882 26068 3795 1 8 . 1 1 67 67 ILE C C 67 175.110 175.110 174.321 0.789 26068 3796 1 8 . 1 1 67 67 ILE CA C 67 58.220 58.220 59.040 -0.820 26068 3797 1 8 . 1 1 67 67 ILE H H 67 8.310 8.310 8.166 0.144 26068 3798 1 8 . 1 1 68 68 ASN N N 68 127.190 127.190 123.519 3.671 26068 3799 1 8 . 1 1 68 68 ASN CA C 68 49.840 49.840 51.253 -1.413 26068 3800 1 8 . 1 1 68 68 ASN H H 68 8.750 8.750 8.347 0.403 26068 3801 1 8 . 1 1 70 70 LYS N N 70 128.540 128.540 120.430 8.110 26068 3802 1 8 . 1 1 70 70 LYS HA H 70 4.530 4.530 4.311 0.219 26068 3803 1 8 . 1 1 70 70 LYS CA C 70 57.270 57.270 57.638 -0.368 26068 3804 1 8 . 1 1 70 70 LYS H H 70 8.870 8.870 8.899 -0.029 26068 3805 1 8 . 1 1 71 71 THR C C 71 174.770 174.770 174.029 0.741 26068 3806 1 8 . 1 1 71 71 THR CA C 71 60.650 60.650 60.187 0.463 26068 3807 1 8 . 1 1 72 72 LYS N N 72 116.540 116.540 123.912 -7.372 26068 3808 1 8 . 1 1 72 72 LYS C C 72 174.500 174.500 175.931 -1.431 26068 3809 1 8 . 1 1 72 72 LYS CA C 72 56.710 56.710 56.272 0.438 26068 3810 1 8 . 1 1 72 72 LYS H H 72 8.450 8.450 8.632 -0.182 26068 3811 1 8 . 1 1 73 73 GLN N N 73 117.620 117.620 119.808 -2.188 26068 3812 1 8 . 1 1 73 73 GLN HA H 73 4.200 4.200 4.365 -0.165 26068 3813 1 8 . 1 1 73 73 GLN C C 73 174.700 174.700 174.903 -0.203 26068 3814 1 8 . 1 1 73 73 GLN CA C 73 54.250 54.250 54.968 -0.717 26068 3815 1 8 . 1 1 73 73 GLN H H 73 7.600 7.600 7.603 -0.003 26068 3816 1 8 . 1 1 74 74 LYS N N 74 122.530 122.530 124.804 -2.274 26068 3817 1 8 . 1 1 74 74 LYS C C 74 175.840 175.840 176.317 -0.477 26068 3818 1 8 . 1 1 74 74 LYS CA C 74 55.900 55.900 55.150 0.750 26068 3819 1 8 . 1 1 74 74 LYS H H 74 8.500 8.500 8.452 0.048 26068 3820 1 8 . 1 1 75 75 ILE N N 75 121.120 121.120 128.299 -7.179 26068 3821 1 8 . 1 1 75 75 ILE HA H 75 4.440 4.440 4.207 0.233 26068 3822 1 8 . 1 1 75 75 ILE C C 75 174.000 174.000 175.249 -1.249 26068 3823 1 8 . 1 1 75 75 ILE CA C 75 58.750 58.750 61.208 -2.458 26068 3824 1 8 . 1 1 75 75 ILE H H 75 8.480 8.480 8.675 -0.195 26068 3825 1 8 . 1 1 76 76 GLN N N 76 123.280 123.280 126.322 -3.042 26068 3826 1 8 . 1 1 76 76 GLN C C 76 174.000 174.000 174.962 -0.962 26068 3827 1 8 . 1 1 76 76 GLN CA C 76 54.220 54.220 54.367 -0.146 26068 3828 1 8 . 1 1 76 76 GLN H H 76 8.510 8.510 8.651 -0.141 26068 3829 1 8 . 1 1 77 77 ILE N N 77 115.590 115.590 123.654 -8.064 26068 3830 1 8 . 1 1 77 77 ILE CA C 77 60.710 60.710 58.264 2.446 26068 3831 1 8 . 1 1 77 77 ILE H H 77 8.420 8.420 8.100 0.320 26068 3832 1 8 . 1 1 78 78 PRO C C 78 176.070 176.070 176.200 -0.130 26068 3833 1 8 . 1 1 79 79 ALA N N 79 123.150 123.150 121.162 1.988 26068 3834 1 8 . 1 1 79 79 ALA HA H 79 3.990 3.990 4.419 -0.429 26068 3835 1 8 . 1 1 79 79 ALA C C 79 176.740 176.740 177.434 -0.694 26068 3836 1 8 . 1 1 79 79 ALA CA C 79 51.670 51.670 51.152 0.518 26068 3837 1 8 . 1 1 79 79 ALA CB C 79 18.710 18.710 20.540 -1.830 26068 3838 1 8 . 1 1 79 79 ALA H H 79 8.490 8.490 8.294 0.196 26068 3839 1 8 . 1 1 80 80 GLY N N 80 109.540 109.540 106.637 2.903 26068 3840 1 8 . 1 1 80 80 GLY C C 80 172.350 172.350 172.695 -0.345 26068 3841 1 8 . 1 1 80 80 GLY CA C 80 43.650 43.650 44.708 -1.058 26068 3842 1 8 . 1 1 80 80 GLY H H 80 7.960 7.960 8.343 -0.383 26068 3843 1 8 . 1 1 81 81 LYS N N 81 120.310 120.310 122.764 -2.454 26068 3844 1 8 . 1 1 81 81 LYS C C 81 174.920 174.920 175.621 -0.701 26068 3845 1 8 . 1 1 81 81 LYS CA C 81 54.330 54.330 55.167 -0.837 26068 3846 1 8 . 1 1 81 81 LYS H H 81 8.330 8.330 8.346 -0.016 26068 3847 1 8 . 1 1 82 82 LYS N N 82 121.710 121.710 120.611 1.099 26068 3848 1 8 . 1 1 82 82 LYS HA H 82 4.670 4.670 4.796 -0.126 26068 3849 1 8 . 1 1 82 82 LYS C C 82 173.360 173.360 174.614 -1.254 26068 3850 1 8 . 1 1 82 82 LYS CA C 82 53.910 53.910 55.149 -1.239 26068 3851 1 8 . 1 1 82 82 LYS CB C 82 35.200 35.200 37.047 -1.847 26068 3852 1 8 . 1 1 82 82 LYS H H 82 8.970 8.970 8.894 0.076 26068 3853 1 8 . 1 1 83 83 ILE N N 83 123.310 123.310 116.683 6.627 26068 3854 1 8 . 1 1 83 83 ILE HA H 83 4.700 4.700 5.310 -0.610 26068 3855 1 8 . 1 1 83 83 ILE C C 83 173.820 173.820 174.542 -0.722 26068 3856 1 8 . 1 1 83 83 ILE CA C 83 60.200 60.200 59.377 0.823 26068 3857 1 8 . 1 1 83 83 ILE CB C 83 37.960 37.960 42.137 -4.177 26068 3858 1 8 . 1 1 83 83 ILE H H 83 8.470 8.470 8.400 0.070 26068 3859 1 8 . 1 1 84 84 LYS N N 84 127.190 127.190 121.934 5.256 26068 3860 1 8 . 1 1 84 84 LYS HA H 84 4.700 4.700 4.718 -0.018 26068 3861 1 8 . 1 1 84 84 LYS C C 84 173.770 173.770 174.039 -0.269 26068 3862 1 8 . 1 1 84 84 LYS CA C 84 53.260 53.260 54.718 -1.458 26068 3863 1 8 . 1 1 84 84 LYS CB C 84 35.070 35.070 36.425 -1.355 26068 3864 1 8 . 1 1 84 84 LYS H H 84 9.160 9.160 8.974 0.186 26068 3865 1 8 . 1 1 85 85 LEU N N 85 125.120 125.120 124.075 1.045 26068 3866 1 8 . 1 1 85 85 LEU HA H 85 4.690 4.690 4.806 -0.116 26068 3867 1 8 . 1 1 85 85 LEU C C 85 175.520 175.520 176.553 -1.033 26068 3868 1 8 . 1 1 85 85 LEU CA C 85 52.080 52.080 54.393 -2.313 26068 3869 1 8 . 1 1 85 85 LEU CB C 85 43.670 43.670 42.947 0.723 26068 3870 1 8 . 1 1 85 85 LEU H H 85 8.620 8.620 8.618 0.002 26068 3871 1 8 . 1 1 86 86 THR N N 86 124.610 124.610 119.133 5.477 26068 3872 1 8 . 1 1 86 86 THR HA H 86 4.550 4.550 4.619 -0.069 26068 3873 1 8 . 1 1 86 86 THR C C 86 174.770 174.770 173.455 1.315 26068 3874 1 8 . 1 1 86 86 THR CA C 86 60.440 60.440 60.659 -0.219 26068 3875 1 8 . 1 1 86 86 THR CB C 86 68.040 68.040 70.943 -2.903 26068 3876 1 8 . 1 1 86 86 THR H H 86 8.770 8.770 8.437 0.333 26068 3877 1 8 . 1 1 87 87 VAL C C 87 174.810 174.810 175.796 -0.986 26068 3878 1 8 . 1 1 87 87 VAL CA C 87 63.170 63.170 59.500 3.670 26068 3879 1 8 . 1 1 88 88 SER N N 88 122.640 122.640 121.726 0.914 26068 3880 1 8 . 1 1 88 88 SER HA H 88 4.470 4.470 4.428 0.042 26068 3881 1 8 . 1 1 88 88 SER CA C 88 56.790 56.790 58.661 -1.871 26068 3882 1 8 . 1 1 88 88 SER H H 88 8.330 8.330 8.894 -0.564 26068 3883 1 8 . 1 1 89 89 LYS C C 89 176.560 176.560 178.864 -2.304 26068 3884 1 8 . 1 1 90 90 ILE N N 90 117.640 117.640 119.894 -2.254 26068 3885 1 8 . 1 1 90 90 ILE HA H 90 3.700 3.700 3.918 -0.218 26068 3886 1 8 . 1 1 90 90 ILE C C 90 178.250 178.250 175.422 2.828 26068 3887 1 8 . 1 1 90 90 ILE CA C 90 63.200 63.200 62.941 0.260 26068 3888 1 8 . 1 1 90 90 ILE CB C 90 36.230 36.230 37.957 -1.727 26068 3889 1 8 . 1 1 90 90 ILE H H 90 7.930 7.930 8.128 -0.198 26068 3890 1 8 . 1 1 91 91 LEU N N 91 121.350 121.350 111.362 9.988 26068 3891 1 8 . 1 1 91 91 LEU HA H 91 4.210 4.210 4.875 -0.665 26068 3892 1 8 . 1 1 91 91 LEU C C 91 177.410 177.410 175.728 1.682 26068 3893 1 8 . 1 1 91 91 LEU CA C 91 56.750 56.750 54.017 2.732 26068 3894 1 8 . 1 1 91 91 LEU CB C 91 39.561 39.561 41.511 -1.950 26068 3895 1 8 . 1 1 91 91 LEU H H 91 7.380 7.380 7.407 -0.027 26068 3896 1 8 . 1 1 92 92 THR N N 92 113.940 113.940 116.293 -2.353 26068 3897 1 8 . 1 1 92 92 THR HA H 92 3.670 3.670 4.737 -1.067 26068 3898 1 8 . 1 1 92 92 THR C C 92 176.170 176.170 173.392 2.778 26068 3899 1 8 . 1 1 92 92 THR CA C 92 66.150 66.150 63.691 2.459 26068 3900 1 8 . 1 1 92 92 THR CB C 92 66.950 66.950 70.764 -3.814 26068 3901 1 8 . 1 1 92 92 THR H H 92 7.780 7.780 8.337 -0.557 26068 3902 1 8 . 1 1 93 93 ASP N N 93 121.580 121.580 125.285 -3.705 26068 3903 1 8 . 1 1 93 93 ASP HA H 93 4.360 4.360 4.656 -0.296 26068 3904 1 8 . 1 1 93 93 ASP C C 93 178.020 178.020 175.919 2.101 26068 3905 1 8 . 1 1 93 93 ASP CA C 93 56.140 56.140 53.702 2.438 26068 3906 1 8 . 1 1 93 93 ASP CB C 93 38.730 38.730 40.038 -1.308 26068 3907 1 8 . 1 1 93 93 ASP H H 93 8.790 8.790 7.987 0.803 26068 3908 1 8 . 1 1 94 94 ALA N N 94 124.610 124.610 125.981 -1.371 26068 3909 1 8 . 1 1 94 94 ALA HA H 94 4.130 4.130 3.952 0.178 26068 3910 1 8 . 1 1 94 94 ALA C C 94 180.080 180.080 175.350 4.730 26068 3911 1 8 . 1 1 94 94 ALA CA C 94 54.120 54.120 52.833 1.287 26068 3912 1 8 . 1 1 94 94 ALA CB C 94 17.110 17.110 17.406 -0.296 26068 3913 1 8 . 1 1 94 94 ALA H H 94 8.050 8.050 7.887 0.163 26068 3914 1 8 . 1 1 95 95 VAL N N 95 119.040 119.040 116.867 2.173 26068 3915 1 8 . 1 1 95 95 VAL HA H 95 3.650 3.650 4.376 -0.726 26068 3916 1 8 . 1 1 95 95 VAL C C 95 177.260 177.260 174.602 2.658 26068 3917 1 8 . 1 1 95 95 VAL CA C 95 65.350 65.350 60.301 5.049 26068 3918 1 8 . 1 1 95 95 VAL CB C 95 30.640 30.640 33.636 -2.996 26068 3919 1 8 . 1 1 95 95 VAL H H 95 8.110 8.110 7.078 1.032 26068 3920 1 8 . 1 1 96 96 ASP N N 96 119.550 119.550 124.788 -5.238 26068 3921 1 8 . 1 1 96 96 ASP HA H 96 4.460 4.460 4.283 0.177 26068 3922 1 8 . 1 1 96 96 ASP C C 96 176.710 176.710 177.260 -0.550 26068 3923 1 8 . 1 1 96 96 ASP CA C 96 55.790 55.790 57.145 -1.355 26068 3924 1 8 . 1 1 96 96 ASP CB C 96 40.140 40.140 39.670 0.470 26068 3925 1 8 . 1 1 96 96 ASP H H 96 7.970 7.970 8.846 -0.876 26068 3926 1 8 . 1 1 97 97 SER N N 97 112.600 112.600 118.099 -5.499 26068 3927 1 8 . 1 1 97 97 SER HA H 97 4.420 4.420 4.394 0.026 26068 3928 1 8 . 1 1 97 97 SER CA C 97 58.290 58.290 60.390 -2.100 26068 3929 1 8 . 1 1 97 97 SER CB C 97 62.720 62.720 64.139 -1.419 26068 3930 1 8 . 1 1 97 97 SER H H 97 7.870 7.870 8.522 -0.652 26068 3931 1 8 . 1 1 98 98 HIS N N 98 122.580 122.580 121.034 1.546 26068 3932 1 8 . 1 1 98 98 HIS HA H 98 4.090 4.090 4.883 -0.793 26068 3933 1 8 . 1 1 98 98 HIS C C 98 173.400 173.400 172.919 0.481 26068 3934 1 8 . 1 1 98 98 HIS CA C 98 57.400 57.400 54.813 2.587 26068 3935 1 8 . 1 1 98 98 HIS CB C 98 29.810 29.810 30.043 -0.233 26068 3936 1 8 . 1 1 98 98 HIS H H 98 7.340 7.340 7.586 -0.246 26068 3937 1 9 . 1 1 2 2 ALA N N 2 125.690 125.690 125.436 0.254 26068 3938 1 9 . 1 1 2 2 ALA C C 2 176.530 176.530 176.428 0.102 26068 3939 1 9 . 1 1 2 2 ALA CA C 2 51.730 51.730 51.608 0.122 26068 3940 1 9 . 1 1 2 2 ALA H H 2 8.250 8.250 8.458 -0.208 26068 3941 1 9 . 1 1 3 3 LYS N N 3 121.040 121.040 120.201 0.839 26068 3942 1 9 . 1 1 3 3 LYS C C 3 175.520 175.520 175.692 -0.172 26068 3943 1 9 . 1 1 3 3 LYS CA C 3 55.230 55.230 55.942 -0.712 26068 3944 1 9 . 1 1 3 3 LYS H H 3 8.210 8.210 8.170 0.040 26068 3945 1 9 . 1 1 4 4 ILE N N 4 122.490 122.490 122.746 -0.256 26068 3946 1 9 . 1 1 4 4 ILE HA H 4 4.180 4.180 4.207 -0.027 26068 3947 1 9 . 1 1 4 4 ILE C C 4 174.950 174.950 175.209 -0.259 26068 3948 1 9 . 1 1 4 4 ILE CA C 4 59.870 59.870 60.487 -0.617 26068 3949 1 9 . 1 1 4 4 ILE H H 4 8.170 8.170 8.421 -0.251 26068 3950 1 9 . 1 1 5 5 LYS N N 5 126.600 126.600 128.139 -1.539 26068 3951 1 9 . 1 1 5 5 LYS C C 5 174.330 174.330 176.260 -1.930 26068 3952 1 9 . 1 1 5 5 LYS CA C 5 55.060 55.060 56.331 -1.272 26068 3953 1 9 . 1 1 5 5 LYS H H 5 8.320 8.320 8.479 -0.159 26068 3954 1 9 . 1 1 6 6 SER N N 6 118.400 118.400 121.182 -2.782 26068 3955 1 9 . 1 1 6 6 SER C C 6 174.220 174.220 174.574 -0.354 26068 3956 1 9 . 1 1 6 6 SER CA C 6 56.300 56.300 58.430 -2.130 26068 3957 1 9 . 1 1 6 6 SER H H 6 8.200 8.200 8.499 -0.299 26068 3958 1 9 . 1 1 7 7 LEU N N 7 125.400 125.400 121.543 3.857 26068 3959 1 9 . 1 1 7 7 LEU C C 7 177.730 177.730 175.511 2.219 26068 3960 1 9 . 1 1 7 7 LEU CA C 7 54.950 54.950 54.745 0.205 26068 3961 1 9 . 1 1 7 7 LEU CB C 7 42.000 42.000 43.712 -1.712 26068 3962 1 9 . 1 1 7 7 LEU H H 7 9.050 9.050 8.355 0.695 26068 3963 1 9 . 1 1 8 8 SER N N 8 124.870 124.870 115.402 9.468 26068 3964 1 9 . 1 1 8 8 SER HA H 8 4.510 4.510 4.659 -0.149 26068 3965 1 9 . 1 1 8 8 SER C C 8 173.810 173.810 175.676 -1.866 26068 3966 1 9 . 1 1 8 8 SER CA C 8 56.740 56.740 57.654 -0.913 26068 3967 1 9 . 1 1 8 8 SER CB C 8 64.390 64.390 64.105 0.285 26068 3968 1 9 . 1 1 8 8 SER H H 8 9.140 9.140 8.311 0.829 26068 3969 1 9 . 1 1 9 9 ALA N N 9 124.340 124.340 124.608 -0.268 26068 3970 1 9 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.215 0.185 26068 3971 1 9 . 1 1 9 9 ALA C C 9 178.940 178.940 179.606 -0.666 26068 3972 1 9 . 1 1 9 9 ALA CA C 9 54.940 54.940 54.602 0.338 26068 3973 1 9 . 1 1 9 9 ALA H H 9 8.710 8.710 8.445 0.265 26068 3974 1 9 . 1 1 10 10 ALA N N 10 117.990 117.990 121.102 -3.112 26068 3975 1 9 . 1 1 10 10 ALA C C 10 180.600 180.600 179.998 0.602 26068 3976 1 9 . 1 1 10 10 ALA CA C 10 54.380 54.380 54.592 -0.212 26068 3977 1 9 . 1 1 10 10 ALA CB C 10 17.240 17.240 18.235 -0.995 26068 3978 1 9 . 1 1 10 10 ALA H H 10 8.380 8.380 8.480 -0.100 26068 3979 1 9 . 1 1 11 11 GLU N N 11 118.900 118.900 117.789 1.111 26068 3980 1 9 . 1 1 11 11 GLU HA H 11 4.040 4.040 4.176 -0.136 26068 3981 1 9 . 1 1 11 11 GLU C C 11 177.770 177.770 177.723 0.047 26068 3982 1 9 . 1 1 11 11 GLU CA C 11 58.210 58.210 58.076 0.134 26068 3983 1 9 . 1 1 11 11 GLU CB C 11 29.310 29.310 29.491 -0.181 26068 3984 1 9 . 1 1 11 11 GLU H H 11 7.780 7.780 8.108 -0.328 26068 3985 1 9 . 1 1 12 12 TYR N N 12 125.590 125.590 118.372 7.218 26068 3986 1 9 . 1 1 12 12 TYR C C 12 179.280 179.280 176.326 2.954 26068 3987 1 9 . 1 1 12 12 TYR CA C 12 59.690 59.690 59.483 0.207 26068 3988 1 9 . 1 1 12 12 TYR CB C 12 37.530 37.530 39.550 -2.020 26068 3989 1 9 . 1 1 12 12 TYR H H 12 8.800 8.800 7.775 1.025 26068 3990 1 9 . 1 1 13 13 LEU N N 13 118.240 118.240 117.574 0.666 26068 3991 1 9 . 1 1 13 13 LEU HA H 13 4.130 4.130 3.912 0.218 26068 3992 1 9 . 1 1 13 13 LEU C C 13 177.790 177.790 177.748 0.042 26068 3993 1 9 . 1 1 13 13 LEU CA C 13 58.180 58.180 56.723 1.457 26068 3994 1 9 . 1 1 13 13 LEU CB C 13 41.290 41.290 41.629 -0.339 26068 3995 1 9 . 1 1 13 13 LEU H H 13 8.770 8.770 7.586 1.184 26068 3996 1 9 . 1 1 14 14 LYS N N 14 118.870 118.870 116.569 2.301 26068 3997 1 9 . 1 1 14 14 LYS HA H 14 3.980 3.980 4.074 -0.094 26068 3998 1 9 . 1 1 14 14 LYS C C 14 177.090 177.090 179.101 -2.011 26068 3999 1 9 . 1 1 14 14 LYS CA C 14 58.610 58.610 58.413 0.197 26068 4000 1 9 . 1 1 14 14 LYS CB C 14 31.220 31.220 32.001 -0.781 26068 4001 1 9 . 1 1 14 14 LYS H H 14 7.790 7.790 7.927 -0.137 26068 4002 1 9 . 1 1 15 15 GLU N N 15 119.560 119.560 119.705 -0.145 26068 4003 1 9 . 1 1 15 15 GLU HA H 15 4.050 4.050 4.287 -0.237 26068 4004 1 9 . 1 1 15 15 GLU C C 15 179.660 179.660 177.394 2.266 26068 4005 1 9 . 1 1 15 15 GLU CA C 15 59.260 59.260 57.419 1.841 26068 4006 1 9 . 1 1 15 15 GLU CB C 15 28.010 28.010 29.814 -1.804 26068 4007 1 9 . 1 1 15 15 GLU H H 15 8.330 8.330 7.652 0.678 26068 4008 1 9 . 1 1 16 16 MET N N 16 116.760 116.760 119.725 -2.965 26068 4009 1 9 . 1 1 16 16 MET HA H 16 4.420 4.420 4.504 -0.084 26068 4010 1 9 . 1 1 16 16 MET C C 16 178.960 178.960 176.068 2.892 26068 4011 1 9 . 1 1 16 16 MET CA C 16 58.200 58.200 54.468 3.732 26068 4012 1 9 . 1 1 16 16 MET CB C 16 34.370 34.370 32.221 2.149 26068 4013 1 9 . 1 1 16 16 MET H H 16 7.940 7.940 7.430 0.510 26068 4014 1 9 . 1 1 17 17 ALA N N 17 128.000 128.000 122.824 5.176 26068 4015 1 9 . 1 1 17 17 ALA HA H 17 4.210 4.210 3.975 0.235 26068 4016 1 9 . 1 1 17 17 ALA C C 17 179.620 179.620 178.725 0.895 26068 4017 1 9 . 1 1 17 17 ALA CA C 17 54.760 54.760 55.116 -0.356 26068 4018 1 9 . 1 1 17 17 ALA CB C 17 17.750 17.750 18.515 -0.765 26068 4019 1 9 . 1 1 17 17 ALA H H 17 8.820 8.820 7.666 1.154 26068 4020 1 9 . 1 1 18 18 ASP N N 18 119.660 119.660 115.191 4.469 26068 4021 1 9 . 1 1 18 18 ASP HA H 18 4.420 4.420 4.479 -0.059 26068 4022 1 9 . 1 1 18 18 ASP C C 18 177.750 177.750 176.068 1.682 26068 4023 1 9 . 1 1 18 18 ASP CA C 18 55.790 55.790 54.932 0.858 26068 4024 1 9 . 1 1 18 18 ASP CB C 18 38.980 38.980 40.335 -1.355 26068 4025 1 9 . 1 1 18 18 ASP H H 18 8.770 8.770 8.288 0.482 26068 4026 1 9 . 1 1 19 19 GLU N N 19 117.150 117.150 119.794 -2.644 26068 4027 1 9 . 1 1 19 19 GLU HA H 19 4.190 4.190 4.519 -0.329 26068 4028 1 9 . 1 1 19 19 GLU C C 19 177.540 177.540 175.101 2.439 26068 4029 1 9 . 1 1 19 19 GLU CA C 19 57.750 57.750 55.823 1.927 26068 4030 1 9 . 1 1 19 19 GLU CB C 19 29.360 29.360 30.404 -1.044 26068 4031 1 9 . 1 1 19 19 GLU H H 19 7.620 7.620 7.817 -0.197 26068 4032 1 9 . 1 1 20 20 THR N N 20 105.730 105.730 113.276 -7.546 26068 4033 1 9 . 1 1 20 20 THR HA H 20 4.120 4.120 4.627 -0.507 26068 4034 1 9 . 1 1 20 20 THR C C 20 174.800 174.800 173.457 1.343 26068 4035 1 9 . 1 1 20 20 THR CA C 20 62.200 62.200 60.777 1.423 26068 4036 1 9 . 1 1 20 20 THR CB C 20 70.870 70.870 70.523 0.347 26068 4037 1 9 . 1 1 20 20 THR H H 20 7.900 7.900 7.503 0.397 26068 4038 1 9 . 1 1 21 21 ASN N N 21 116.950 116.950 121.583 -4.633 26068 4039 1 9 . 1 1 21 21 ASN HA H 21 4.390 4.390 4.766 -0.377 26068 4040 1 9 . 1 1 21 21 ASN C C 21 173.060 173.060 175.816 -2.756 26068 4041 1 9 . 1 1 21 21 ASN CA C 21 54.210 54.210 53.571 0.639 26068 4042 1 9 . 1 1 21 21 ASN CB C 21 36.870 36.870 39.083 -2.213 26068 4043 1 9 . 1 1 21 21 ASN H H 21 8.460 8.460 8.394 0.066 26068 4044 1 9 . 1 1 22 22 ILE N N 22 121.830 121.830 115.196 6.634 26068 4045 1 9 . 1 1 22 22 ILE HA H 22 4.140 4.140 4.597 -0.457 26068 4046 1 9 . 1 1 22 22 ILE C C 22 174.780 174.780 175.135 -0.355 26068 4047 1 9 . 1 1 22 22 ILE CA C 22 59.100 59.100 61.157 -2.057 26068 4048 1 9 . 1 1 22 22 ILE CB C 22 37.060 37.060 39.050 -1.990 26068 4049 1 9 . 1 1 22 22 ILE H H 22 7.680 7.680 7.982 -0.302 26068 4050 1 9 . 1 1 23 23 LYS N N 23 124.750 124.750 120.052 4.698 26068 4051 1 9 . 1 1 23 23 LYS HA H 23 4.140 4.140 4.525 -0.385 26068 4052 1 9 . 1 1 23 23 LYS C C 23 178.550 178.550 174.019 4.531 26068 4053 1 9 . 1 1 23 23 LYS CA C 23 55.940 55.940 55.206 0.734 26068 4054 1 9 . 1 1 23 23 LYS CB C 23 31.670 31.670 35.526 -3.856 26068 4055 1 9 . 1 1 23 23 LYS H H 23 8.510 8.510 7.348 1.162 26068 4056 1 9 . 1 1 24 24 VAL N N 24 122.570 122.570 117.645 4.925 26068 4057 1 9 . 1 1 24 24 VAL C C 24 176.350 176.350 176.294 0.056 26068 4058 1 9 . 1 1 24 24 VAL CA C 24 66.090 66.090 63.917 2.173 26068 4059 1 9 . 1 1 24 24 VAL CB C 24 30.640 30.640 33.921 -3.281 26068 4060 1 9 . 1 1 24 24 VAL H H 24 8.800 8.800 8.550 0.250 26068 4061 1 9 . 1 1 25 25 GLN N N 25 117.730 117.730 119.876 -2.146 26068 4062 1 9 . 1 1 25 25 GLN C C 25 177.420 177.420 177.620 -0.200 26068 4063 1 9 . 1 1 25 25 GLN CA C 25 58.500 58.500 57.759 0.741 26068 4064 1 9 . 1 1 25 25 GLN CB C 25 26.800 26.800 28.083 -1.283 26068 4065 1 9 . 1 1 25 25 GLN H H 25 8.950 8.950 8.566 0.384 26068 4066 1 9 . 1 1 26 26 ASP N N 26 120.360 120.360 120.876 -0.516 26068 4067 1 9 . 1 1 26 26 ASP HA H 26 4.610 4.610 4.516 0.095 26068 4068 1 9 . 1 1 26 26 ASP C C 26 177.320 177.320 177.950 -0.630 26068 4069 1 9 . 1 1 26 26 ASP CA C 26 55.980 55.980 56.797 -0.817 26068 4070 1 9 . 1 1 26 26 ASP CB C 26 39.240 39.240 40.016 -0.776 26068 4071 1 9 . 1 1 26 26 ASP H H 26 7.100 7.100 8.786 -1.686 26068 4072 1 9 . 1 1 27 27 ILE N N 27 120.730 120.730 119.214 1.516 26068 4073 1 9 . 1 1 27 27 ILE C C 27 177.470 177.470 177.692 -0.222 26068 4074 1 9 . 1 1 27 27 ILE CA C 27 65.110 65.110 63.129 1.981 26068 4075 1 9 . 1 1 27 27 ILE CB C 27 35.840 35.840 37.098 -1.258 26068 4076 1 9 . 1 1 27 27 ILE H H 27 7.950 7.950 7.375 0.575 26068 4077 1 9 . 1 1 28 28 ARG N N 28 118.340 118.340 118.055 0.285 26068 4078 1 9 . 1 1 28 28 ARG C C 28 178.150 178.150 178.730 -0.580 26068 4079 1 9 . 1 1 28 28 ARG CA C 28 59.040 59.040 58.941 0.099 26068 4080 1 9 . 1 1 28 28 ARG CB C 28 28.910 28.910 30.047 -1.137 26068 4081 1 9 . 1 1 28 28 ARG H H 28 8.640 8.640 7.603 1.037 26068 4082 1 9 . 1 1 29 29 LEU N N 29 119.800 119.800 119.205 0.595 26068 4083 1 9 . 1 1 29 29 LEU HA H 29 4.050 4.050 4.081 -0.031 26068 4084 1 9 . 1 1 29 29 LEU C C 29 178.970 178.970 178.502 0.468 26068 4085 1 9 . 1 1 29 29 LEU CA C 29 57.150 57.150 57.494 -0.344 26068 4086 1 9 . 1 1 29 29 LEU CB C 29 40.840 40.840 41.871 -1.031 26068 4087 1 9 . 1 1 29 29 LEU H H 29 7.340 7.340 7.494 -0.154 26068 4088 1 9 . 1 1 30 30 VAL N N 30 120.200 120.200 118.622 1.578 26068 4089 1 9 . 1 1 30 30 VAL HA H 30 3.410 3.410 3.754 -0.344 26068 4090 1 9 . 1 1 30 30 VAL C C 30 176.580 176.580 178.278 -1.698 26068 4091 1 9 . 1 1 30 30 VAL CA C 30 66.490 66.490 65.787 0.703 26068 4092 1 9 . 1 1 30 30 VAL CB C 30 30.390 30.390 30.755 -0.364 26068 4093 1 9 . 1 1 30 30 VAL H H 30 7.930 7.930 7.582 0.348 26068 4094 1 9 . 1 1 31 31 VAL N N 31 119.110 119.110 118.307 0.803 26068 4095 1 9 . 1 1 31 31 VAL HA H 31 3.210 3.210 3.740 -0.530 26068 4096 1 9 . 1 1 31 31 VAL C C 31 177.750 177.750 177.774 -0.024 26068 4097 1 9 . 1 1 31 31 VAL CA C 31 66.040 66.040 65.635 0.405 26068 4098 1 9 . 1 1 31 31 VAL CB C 31 29.870 29.870 30.678 -0.808 26068 4099 1 9 . 1 1 31 31 VAL H H 31 8.520 8.520 7.556 0.964 26068 4100 1 9 . 1 1 32 32 THR N N 32 118.400 118.400 113.713 4.687 26068 4101 1 9 . 1 1 32 32 THR C C 32 175.680 175.680 176.278 -0.598 26068 4102 1 9 . 1 1 32 32 THR CA C 32 66.440 66.440 66.953 -0.513 26068 4103 1 9 . 1 1 32 32 THR CB C 32 67.470 67.470 68.625 -1.155 26068 4104 1 9 . 1 1 32 32 THR H H 32 8.220 8.220 7.399 0.821 26068 4105 1 9 . 1 1 33 33 SER N N 33 118.470 118.470 117.883 0.587 26068 4106 1 9 . 1 1 33 33 SER HA H 33 4.330 4.330 4.233 0.097 26068 4107 1 9 . 1 1 33 33 SER C C 33 175.560 175.560 176.354 -0.794 26068 4108 1 9 . 1 1 33 33 SER CA C 33 60.860 60.860 61.449 -0.589 26068 4109 1 9 . 1 1 33 33 SER CB C 33 62.720 62.720 62.470 0.250 26068 4110 1 9 . 1 1 33 33 SER H H 33 7.820 7.820 7.523 0.297 26068 4111 1 9 . 1 1 34 34 LEU N N 34 120.790 120.790 121.395 -0.605 26068 4112 1 9 . 1 1 34 34 LEU C C 34 180.120 180.120 178.837 1.283 26068 4113 1 9 . 1 1 34 34 LEU CA C 34 58.680 58.680 57.217 1.463 26068 4114 1 9 . 1 1 34 34 LEU CB C 34 41.870 41.870 41.727 0.143 26068 4115 1 9 . 1 1 34 34 LEU H H 34 8.940 8.940 7.332 1.608 26068 4116 1 9 . 1 1 35 35 GLN N N 35 117.680 117.680 116.822 0.858 26068 4117 1 9 . 1 1 35 35 GLN HA H 35 3.800 3.800 4.205 -0.405 26068 4118 1 9 . 1 1 35 35 GLN C C 35 176.160 176.160 178.505 -2.345 26068 4119 1 9 . 1 1 35 35 GLN CA C 35 58.910 58.910 57.314 1.596 26068 4120 1 9 . 1 1 35 35 GLN CB C 35 29.040 29.040 28.261 0.779 26068 4121 1 9 . 1 1 35 35 GLN H H 35 7.670 7.670 7.648 0.022 26068 4122 1 9 . 1 1 36 36 LYS N N 36 124.070 124.070 119.721 4.349 26068 4123 1 9 . 1 1 36 36 LYS HA H 36 4.000 4.000 4.075 -0.075 26068 4124 1 9 . 1 1 36 36 LYS C C 36 178.720 178.720 177.602 1.118 26068 4125 1 9 . 1 1 36 36 LYS CA C 36 59.100 59.100 58.692 0.408 26068 4126 1 9 . 1 1 36 36 LYS CB C 36 31.480 31.480 32.020 -0.540 26068 4127 1 9 . 1 1 36 36 LYS H H 36 8.100 8.100 7.595 0.505 26068 4128 1 9 . 1 1 37 37 VAL N N 37 120.470 120.470 118.164 2.306 26068 4129 1 9 . 1 1 37 37 VAL HA H 37 3.420 3.420 3.890 -0.470 26068 4130 1 9 . 1 1 37 37 VAL C C 37 176.250 176.250 177.176 -0.926 26068 4131 1 9 . 1 1 37 37 VAL CA C 37 65.610 65.610 64.105 1.505 26068 4132 1 9 . 1 1 37 37 VAL H H 37 8.560 8.560 7.532 1.028 26068 4133 1 9 . 1 1 38 38 LEU N N 38 119.990 119.990 120.716 -0.726 26068 4134 1 9 . 1 1 38 38 LEU C C 38 176.920 176.920 179.003 -2.083 26068 4135 1 9 . 1 1 38 38 LEU CA C 38 57.720 57.720 58.031 -0.311 26068 4136 1 9 . 1 1 38 38 LEU CB C 38 41.040 41.040 40.764 0.276 26068 4137 1 9 . 1 1 38 38 LEU H H 38 7.120 7.120 7.637 -0.517 26068 4138 1 9 . 1 1 39 39 ALA N N 39 117.870 117.870 119.736 -1.866 26068 4139 1 9 . 1 1 39 39 ALA HA H 39 3.780 3.780 3.968 -0.188 26068 4140 1 9 . 1 1 39 39 ALA C C 39 177.770 177.770 178.560 -0.790 26068 4141 1 9 . 1 1 39 39 ALA CA C 39 53.910 53.910 54.705 -0.795 26068 4142 1 9 . 1 1 39 39 ALA CB C 39 17.370 17.370 18.415 -1.045 26068 4143 1 9 . 1 1 39 39 ALA H H 39 7.540 7.540 7.849 -0.309 26068 4144 1 9 . 1 1 40 40 LYS N N 40 117.340 117.340 117.756 -0.416 26068 4145 1 9 . 1 1 40 40 LYS HA H 40 3.220 3.220 4.275 -1.055 26068 4146 1 9 . 1 1 40 40 LYS C C 40 179.390 179.390 178.454 0.936 26068 4147 1 9 . 1 1 40 40 LYS CA C 40 58.170 58.170 58.034 0.136 26068 4148 1 9 . 1 1 40 40 LYS CB C 40 29.750 29.750 33.207 -3.457 26068 4149 1 9 . 1 1 40 40 LYS H H 40 7.760 7.760 7.651 0.109 26068 4150 1 9 . 1 1 41 41 GLU N N 41 119.510 119.510 121.167 -1.657 26068 4151 1 9 . 1 1 41 41 GLU HA H 41 3.900 3.900 4.094 -0.194 26068 4152 1 9 . 1 1 41 41 GLU C C 41 179.390 179.390 178.835 0.555 26068 4153 1 9 . 1 1 41 41 GLU CA C 41 57.850 57.850 58.973 -1.123 26068 4154 1 9 . 1 1 41 41 GLU CB C 41 28.720 28.720 29.493 -0.773 26068 4155 1 9 . 1 1 41 41 GLU H H 41 8.810 8.810 7.918 0.892 26068 4156 1 9 . 1 1 42 42 LEU N N 42 120.430 120.430 115.616 4.814 26068 4157 1 9 . 1 1 42 42 LEU HA H 42 3.670 3.670 4.396 -0.726 26068 4158 1 9 . 1 1 42 42 LEU C C 42 176.370 176.370 177.266 -0.896 26068 4159 1 9 . 1 1 42 42 LEU CA C 42 57.650 57.650 54.910 2.740 26068 4160 1 9 . 1 1 42 42 LEU CB C 42 41.040 41.040 41.337 -0.297 26068 4161 1 9 . 1 1 42 42 LEU H H 42 8.200 8.200 7.409 0.791 26068 4162 1 9 . 1 1 43 43 ALA N N 43 117.000 117.000 122.203 -5.203 26068 4163 1 9 . 1 1 43 43 ALA HA H 43 4.030 4.030 4.422 -0.392 26068 4164 1 9 . 1 1 43 43 ALA C C 43 177.510 177.510 178.226 -0.716 26068 4165 1 9 . 1 1 43 43 ALA CA C 43 53.130 53.130 53.602 -0.472 26068 4166 1 9 . 1 1 43 43 ALA CB C 43 19.230 19.230 20.383 -1.153 26068 4167 1 9 . 1 1 43 43 ALA H H 43 7.850 7.850 7.854 -0.004 26068 4168 1 9 . 1 1 44 44 THR N N 44 107.520 107.520 109.444 -1.924 26068 4169 1 9 . 1 1 44 44 THR HA H 44 4.370 4.370 4.139 0.231 26068 4170 1 9 . 1 1 44 44 THR C C 44 174.160 174.160 175.154 -0.994 26068 4171 1 9 . 1 1 44 44 THR CA C 44 61.030 61.030 63.713 -2.683 26068 4172 1 9 . 1 1 44 44 THR CB C 44 69.200 69.200 69.111 0.089 26068 4173 1 9 . 1 1 44 44 THR H H 44 7.570 7.570 7.859 -0.289 26068 4174 1 9 . 1 1 45 45 THR N N 45 120.020 120.020 114.155 5.865 26068 4175 1 9 . 1 1 45 45 THR HA H 45 4.170 4.170 4.096 0.074 26068 4176 1 9 . 1 1 45 45 THR C C 45 175.160 175.160 173.693 1.467 26068 4177 1 9 . 1 1 45 45 THR CA C 45 63.160 63.160 63.076 0.084 26068 4178 1 9 . 1 1 45 45 THR CB C 45 68.750 68.750 67.840 0.910 26068 4179 1 9 . 1 1 45 45 THR H H 45 8.690 8.690 7.476 1.214 26068 4180 1 9 . 1 1 46 46 GLY N N 46 108.110 108.110 108.186 -0.076 26068 4181 1 9 . 1 1 46 46 GLY C C 46 171.890 171.890 172.527 -0.637 26068 4182 1 9 . 1 1 46 46 GLY CA C 46 44.600 44.600 43.408 1.192 26068 4183 1 9 . 1 1 46 46 GLY H H 46 8.300 8.300 7.872 0.428 26068 4184 1 9 . 1 1 47 47 GLU N N 47 115.320 115.320 120.631 -5.311 26068 4185 1 9 . 1 1 47 47 GLU HA H 47 5.330 5.330 4.600 0.730 26068 4186 1 9 . 1 1 47 47 GLU C C 47 173.280 173.280 175.322 -2.042 26068 4187 1 9 . 1 1 47 47 GLU CA C 47 54.060 54.060 55.621 -1.561 26068 4188 1 9 . 1 1 47 47 GLU CB C 47 32.280 32.280 31.473 0.807 26068 4189 1 9 . 1 1 47 47 GLU H H 47 7.210 7.210 8.532 -1.322 26068 4190 1 9 . 1 1 48 48 VAL N N 48 118.460 118.460 124.924 -6.464 26068 4191 1 9 . 1 1 48 48 VAL HA H 48 4.450 4.450 4.385 0.065 26068 4192 1 9 . 1 1 48 48 VAL C C 48 171.500 171.500 174.459 -2.959 26068 4193 1 9 . 1 1 48 48 VAL CA C 48 60.080 60.080 61.910 -1.830 26068 4194 1 9 . 1 1 48 48 VAL CB C 48 32.510 32.510 34.729 -2.219 26068 4195 1 9 . 1 1 48 48 VAL H H 48 8.810 8.810 8.687 0.123 26068 4196 1 9 . 1 1 49 49 ARG N N 49 129.960 129.960 127.083 2.877 26068 4197 1 9 . 1 1 49 49 ARG HA H 49 4.700 4.700 4.816 -0.116 26068 4198 1 9 . 1 1 49 49 ARG C C 49 173.520 173.520 175.819 -2.299 26068 4199 1 9 . 1 1 49 49 ARG CA C 49 54.960 54.960 55.315 -0.355 26068 4200 1 9 . 1 1 49 49 ARG CB C 49 29.170 29.170 30.910 -1.740 26068 4201 1 9 . 1 1 49 49 ARG H H 49 9.510 9.510 8.603 0.907 26068 4202 1 9 . 1 1 50 50 LEU N N 50 129.550 129.550 127.828 1.722 26068 4203 1 9 . 1 1 50 50 LEU HA H 50 4.440 4.440 4.697 -0.257 26068 4204 1 9 . 1 1 50 50 LEU C C 50 171.890 171.890 175.405 -3.515 26068 4205 1 9 . 1 1 50 50 LEU CA C 50 51.100 51.100 53.281 -2.181 26068 4206 1 9 . 1 1 50 50 LEU CB C 50 41.740 41.740 43.364 -1.624 26068 4207 1 9 . 1 1 50 50 LEU H H 50 8.960 8.960 8.928 0.032 26068 4208 1 9 . 1 1 51 51 PHE N N 51 122.720 122.720 126.886 -4.166 26068 4209 1 9 . 1 1 51 51 PHE HA H 51 3.750 3.750 4.280 -0.530 26068 4210 1 9 . 1 1 51 51 PHE C C 51 173.520 173.520 175.622 -2.102 26068 4211 1 9 . 1 1 51 51 PHE CA C 51 59.750 59.750 59.849 -0.099 26068 4212 1 9 . 1 1 51 51 PHE CB C 51 36.610 36.610 39.216 -2.606 26068 4213 1 9 . 1 1 51 51 PHE H H 51 7.960 7.960 8.860 -0.900 26068 4214 1 9 . 1 1 52 52 ASP N N 52 122.670 122.670 125.324 -2.654 26068 4215 1 9 . 1 1 52 52 ASP HA H 52 5.070 5.070 4.155 0.915 26068 4216 1 9 . 1 1 52 52 ASP C C 52 175.160 175.160 175.179 -0.019 26068 4217 1 9 . 1 1 52 52 ASP CA C 52 53.380 53.380 54.739 -1.359 26068 4218 1 9 . 1 1 52 52 ASP CB C 52 39.950 39.950 39.433 0.517 26068 4219 1 9 . 1 1 52 52 ASP H H 52 8.690 8.690 8.548 0.142 26068 4220 1 9 . 1 1 53 53 ILE N N 53 121.190 121.190 119.043 2.147 26068 4221 1 9 . 1 1 53 53 ILE HA H 53 3.980 3.980 4.162 -0.182 26068 4222 1 9 . 1 1 53 53 ILE C C 53 174.950 174.950 174.929 0.021 26068 4223 1 9 . 1 1 53 53 ILE CA C 53 63.530 63.530 62.672 0.858 26068 4224 1 9 . 1 1 53 53 ILE CB C 53 37.000 37.000 39.992 -2.992 26068 4225 1 9 . 1 1 53 53 ILE H H 53 8.710 8.710 7.937 0.773 26068 4226 1 9 . 1 1 54 54 GLY N N 54 101.400 101.400 106.102 -4.702 26068 4227 1 9 . 1 1 54 54 GLY C C 54 169.840 169.840 171.786 -1.946 26068 4228 1 9 . 1 1 54 54 GLY CA C 54 43.740 43.740 44.929 -1.189 26068 4229 1 9 . 1 1 54 54 GLY H H 54 6.690 6.690 8.212 -1.522 26068 4230 1 9 . 1 1 55 55 LYS N N 55 119.440 119.440 120.394 -0.954 26068 4231 1 9 . 1 1 55 55 LYS HA H 55 4.930 4.930 5.220 -0.290 26068 4232 1 9 . 1 1 55 55 LYS C C 55 174.340 174.340 174.862 -0.522 26068 4233 1 9 . 1 1 55 55 LYS CA C 55 54.190 54.190 54.133 0.057 26068 4234 1 9 . 1 1 55 55 LYS CB C 55 33.660 33.660 36.544 -2.884 26068 4235 1 9 . 1 1 55 55 LYS H H 55 8.110 8.110 7.683 0.427 26068 4236 1 9 . 1 1 56 56 PHE N N 56 128.540 128.540 119.782 8.758 26068 4237 1 9 . 1 1 56 56 PHE HA H 56 5.170 5.170 4.877 0.293 26068 4238 1 9 . 1 1 56 56 PHE C C 56 174.040 174.040 175.238 -1.198 26068 4239 1 9 . 1 1 56 56 PHE CA C 56 56.140 56.140 58.344 -2.204 26068 4240 1 9 . 1 1 56 56 PHE CB C 56 41.100 41.100 39.928 1.172 26068 4241 1 9 . 1 1 56 56 PHE H H 56 9.420 9.420 8.464 0.956 26068 4242 1 9 . 1 1 57 57 LYS N N 57 120.820 120.820 124.360 -3.540 26068 4243 1 9 . 1 1 57 57 LYS HA H 57 5.030 5.030 4.763 0.267 26068 4244 1 9 . 1 1 57 57 LYS C C 57 173.280 173.280 174.684 -1.404 26068 4245 1 9 . 1 1 57 57 LYS CA C 57 54.190 54.190 54.572 -0.382 26068 4246 1 9 . 1 1 57 57 LYS CB C 57 36.420 36.420 35.424 0.996 26068 4247 1 9 . 1 1 57 57 LYS H H 57 9.060 9.060 9.185 -0.125 26068 4248 1 9 . 1 1 58 58 LEU N N 58 125.690 125.690 126.591 -0.901 26068 4249 1 9 . 1 1 58 58 LEU HA H 58 4.950 4.950 4.770 0.180 26068 4250 1 9 . 1 1 58 58 LEU C C 58 175.180 175.180 177.066 -1.886 26068 4251 1 9 . 1 1 58 58 LEU CA C 58 52.890 52.890 53.353 -0.463 26068 4252 1 9 . 1 1 58 58 LEU CB C 58 42.320 42.320 40.850 1.470 26068 4253 1 9 . 1 1 58 58 LEU H H 58 8.420 8.420 8.596 -0.176 26068 4254 1 9 . 1 1 59 59 VAL N N 59 125.770 125.770 122.213 3.557 26068 4255 1 9 . 1 1 59 59 VAL HA H 59 4.540 4.540 4.800 -0.260 26068 4256 1 9 . 1 1 59 59 VAL C C 59 174.690 174.690 174.250 0.440 26068 4257 1 9 . 1 1 59 59 VAL CA C 59 59.780 59.780 60.123 -0.343 26068 4258 1 9 . 1 1 59 59 VAL CB C 59 32.950 32.950 35.032 -2.082 26068 4259 1 9 . 1 1 59 59 VAL H H 59 9.260 9.260 8.573 0.687 26068 4260 1 9 . 1 1 60 60 THR N N 60 119.180 119.180 119.541 -0.361 26068 4261 1 9 . 1 1 60 60 THR C C 60 174.250 174.250 174.917 -0.667 26068 4262 1 9 . 1 1 60 60 THR CA C 60 60.740 60.740 60.397 0.343 26068 4263 1 9 . 1 1 60 60 THR CB C 60 65.260 65.260 69.716 -4.456 26068 4264 1 9 . 1 1 60 60 THR H H 60 8.480 8.480 8.336 0.144 26068 4265 1 9 . 1 1 61 61 THR N N 61 117.840 117.840 120.725 -2.885 26068 4266 1 9 . 1 1 61 61 THR C C 61 173.550 173.550 174.768 -1.218 26068 4267 1 9 . 1 1 61 61 THR CA C 61 59.290 59.290 61.456 -2.166 26068 4268 1 9 . 1 1 61 61 THR H H 61 8.610 8.610 8.417 0.193 26068 4269 1 9 . 1 1 62 62 LYS N N 62 122.610 122.610 121.235 1.375 26068 4270 1 9 . 1 1 62 62 LYS HA H 62 4.480 4.480 4.316 0.164 26068 4271 1 9 . 1 1 62 62 LYS CA C 62 53.750 53.750 55.659 -1.909 26068 4272 1 9 . 1 1 62 62 LYS H H 62 8.380 8.380 8.430 -0.050 26068 4273 1 9 . 1 1 63 63 PRO C C 63 176.780 176.780 176.587 0.193 26068 4274 1 9 . 1 1 64 64 ARG N N 64 116.830 116.830 120.325 -3.495 26068 4275 1 9 . 1 1 64 64 ARG C C 64 177.070 177.070 174.971 2.099 26068 4276 1 9 . 1 1 64 64 ARG CA C 64 57.230 57.230 55.099 2.131 26068 4277 1 9 . 1 1 64 64 ARG H H 64 8.130 8.130 8.486 -0.356 26068 4278 1 9 . 1 1 65 65 THR N N 65 127.240 127.240 116.120 11.120 26068 4279 1 9 . 1 1 65 65 THR C C 65 173.780 173.780 173.595 0.185 26068 4280 1 9 . 1 1 65 65 THR CA C 65 60.680 60.680 60.922 -0.242 26068 4281 1 9 . 1 1 65 65 THR H H 65 7.370 7.370 8.405 -1.035 26068 4282 1 9 . 1 1 66 66 GLY N N 66 112.840 112.840 114.376 -1.536 26068 4283 1 9 . 1 1 66 66 GLY C C 66 171.630 171.630 172.483 -0.853 26068 4284 1 9 . 1 1 66 66 GLY CA C 66 43.610 43.610 43.670 -0.060 26068 4285 1 9 . 1 1 66 66 GLY H H 66 8.760 8.760 8.324 0.436 26068 4286 1 9 . 1 1 67 67 ILE N N 67 119.560 119.560 116.028 3.532 26068 4287 1 9 . 1 1 67 67 ILE C C 67 175.110 175.110 174.645 0.465 26068 4288 1 9 . 1 1 67 67 ILE CA C 67 58.220 58.220 58.814 -0.594 26068 4289 1 9 . 1 1 67 67 ILE H H 67 8.310 8.310 8.109 0.201 26068 4290 1 9 . 1 1 68 68 ASN N N 68 127.190 127.190 121.977 5.213 26068 4291 1 9 . 1 1 68 68 ASN CA C 68 49.840 49.840 51.719 -1.879 26068 4292 1 9 . 1 1 68 68 ASN H H 68 8.750 8.750 8.615 0.135 26068 4293 1 9 . 1 1 70 70 LYS N N 70 128.540 128.540 116.111 12.429 26068 4294 1 9 . 1 1 70 70 LYS HA H 70 4.530 4.530 4.510 0.020 26068 4295 1 9 . 1 1 70 70 LYS CA C 70 57.270 57.270 56.365 0.905 26068 4296 1 9 . 1 1 70 70 LYS H H 70 8.870 8.870 8.548 0.322 26068 4297 1 9 . 1 1 71 71 THR C C 71 174.770 174.770 173.707 1.063 26068 4298 1 9 . 1 1 71 71 THR CA C 71 60.650 60.650 60.102 0.548 26068 4299 1 9 . 1 1 72 72 LYS N N 72 116.540 116.540 123.143 -6.603 26068 4300 1 9 . 1 1 72 72 LYS C C 72 174.500 174.500 175.888 -1.388 26068 4301 1 9 . 1 1 72 72 LYS CA C 72 56.710 56.710 56.762 -0.052 26068 4302 1 9 . 1 1 72 72 LYS H H 72 8.450 8.450 8.612 -0.162 26068 4303 1 9 . 1 1 73 73 GLN N N 73 117.620 117.620 118.875 -1.255 26068 4304 1 9 . 1 1 73 73 GLN HA H 73 4.200 4.200 4.634 -0.434 26068 4305 1 9 . 1 1 73 73 GLN C C 73 174.700 174.700 173.952 0.748 26068 4306 1 9 . 1 1 73 73 GLN CA C 73 54.250 54.250 54.157 0.093 26068 4307 1 9 . 1 1 73 73 GLN H H 73 7.600 7.600 7.715 -0.115 26068 4308 1 9 . 1 1 74 74 LYS N N 74 122.530 122.530 122.173 0.357 26068 4309 1 9 . 1 1 74 74 LYS C C 74 175.840 175.840 175.351 0.489 26068 4310 1 9 . 1 1 74 74 LYS CA C 74 55.900 55.900 54.951 0.949 26068 4311 1 9 . 1 1 74 74 LYS H H 74 8.500 8.500 8.422 0.078 26068 4312 1 9 . 1 1 75 75 ILE N N 75 121.120 121.120 124.728 -3.608 26068 4313 1 9 . 1 1 75 75 ILE HA H 75 4.440 4.440 4.457 -0.017 26068 4314 1 9 . 1 1 75 75 ILE C C 75 174.000 174.000 175.217 -1.217 26068 4315 1 9 . 1 1 75 75 ILE CA C 75 58.750 58.750 59.665 -0.915 26068 4316 1 9 . 1 1 75 75 ILE H H 75 8.480 8.480 8.745 -0.265 26068 4317 1 9 . 1 1 76 76 GLN N N 76 123.280 123.280 123.788 -0.508 26068 4318 1 9 . 1 1 76 76 GLN C C 76 174.000 174.000 175.098 -1.098 26068 4319 1 9 . 1 1 76 76 GLN CA C 76 54.220 54.220 54.477 -0.257 26068 4320 1 9 . 1 1 76 76 GLN H H 76 8.510 8.510 8.589 -0.079 26068 4321 1 9 . 1 1 77 77 ILE N N 77 115.590 115.590 127.121 -11.531 26068 4322 1 9 . 1 1 77 77 ILE CA C 77 60.710 60.710 58.753 1.957 26068 4323 1 9 . 1 1 77 77 ILE H H 77 8.420 8.420 8.230 0.190 26068 4324 1 9 . 1 1 78 78 PRO C C 78 176.070 176.070 176.290 -0.220 26068 4325 1 9 . 1 1 79 79 ALA N N 79 123.150 123.150 122.137 1.013 26068 4326 1 9 . 1 1 79 79 ALA HA H 79 3.990 3.990 4.596 -0.606 26068 4327 1 9 . 1 1 79 79 ALA C C 79 176.740 176.740 177.303 -0.563 26068 4328 1 9 . 1 1 79 79 ALA CA C 79 51.670 51.670 51.892 -0.222 26068 4329 1 9 . 1 1 79 79 ALA CB C 79 18.710 18.710 19.948 -1.238 26068 4330 1 9 . 1 1 79 79 ALA H H 79 8.490 8.490 8.397 0.093 26068 4331 1 9 . 1 1 80 80 GLY N N 80 109.540 109.540 107.945 1.595 26068 4332 1 9 . 1 1 80 80 GLY C C 80 172.350 172.350 172.129 0.221 26068 4333 1 9 . 1 1 80 80 GLY CA C 80 43.650 43.650 44.361 -0.711 26068 4334 1 9 . 1 1 80 80 GLY H H 80 7.960 7.960 8.441 -0.481 26068 4335 1 9 . 1 1 81 81 LYS N N 81 120.310 120.310 117.962 2.348 26068 4336 1 9 . 1 1 81 81 LYS C C 81 174.920 174.920 175.458 -0.538 26068 4337 1 9 . 1 1 81 81 LYS CA C 81 54.330 54.330 54.910 -0.580 26068 4338 1 9 . 1 1 81 81 LYS H H 81 8.330 8.330 8.204 0.126 26068 4339 1 9 . 1 1 82 82 LYS N N 82 121.710 121.710 120.561 1.149 26068 4340 1 9 . 1 1 82 82 LYS HA H 82 4.670 4.670 4.869 -0.199 26068 4341 1 9 . 1 1 82 82 LYS C C 82 173.360 173.360 175.168 -1.808 26068 4342 1 9 . 1 1 82 82 LYS CA C 82 53.910 53.910 54.120 -0.210 26068 4343 1 9 . 1 1 82 82 LYS CB C 82 35.200 35.200 35.312 -0.112 26068 4344 1 9 . 1 1 82 82 LYS H H 82 8.970 8.970 8.770 0.200 26068 4345 1 9 . 1 1 83 83 ILE N N 83 123.310 123.310 119.691 3.619 26068 4346 1 9 . 1 1 83 83 ILE HA H 83 4.700 4.700 5.183 -0.483 26068 4347 1 9 . 1 1 83 83 ILE C C 83 173.820 173.820 175.864 -2.044 26068 4348 1 9 . 1 1 83 83 ILE CA C 83 60.200 60.200 59.961 0.239 26068 4349 1 9 . 1 1 83 83 ILE CB C 83 37.960 37.960 41.440 -3.480 26068 4350 1 9 . 1 1 83 83 ILE H H 83 8.470 8.470 8.309 0.162 26068 4351 1 9 . 1 1 84 84 LYS N N 84 127.190 127.190 123.555 3.635 26068 4352 1 9 . 1 1 84 84 LYS HA H 84 4.700 4.700 4.765 -0.065 26068 4353 1 9 . 1 1 84 84 LYS C C 84 173.770 173.770 174.147 -0.377 26068 4354 1 9 . 1 1 84 84 LYS CA C 84 53.260 53.260 55.037 -1.777 26068 4355 1 9 . 1 1 84 84 LYS CB C 84 35.070 35.070 36.253 -1.183 26068 4356 1 9 . 1 1 84 84 LYS H H 84 9.160 9.160 9.182 -0.022 26068 4357 1 9 . 1 1 85 85 LEU N N 85 125.120 125.120 125.173 -0.053 26068 4358 1 9 . 1 1 85 85 LEU HA H 85 4.690 4.690 4.740 -0.050 26068 4359 1 9 . 1 1 85 85 LEU C C 85 175.520 175.520 176.216 -0.696 26068 4360 1 9 . 1 1 85 85 LEU CA C 85 52.080 52.080 54.325 -2.245 26068 4361 1 9 . 1 1 85 85 LEU CB C 85 43.670 43.670 42.947 0.723 26068 4362 1 9 . 1 1 85 85 LEU H H 85 8.620 8.620 8.718 -0.098 26068 4363 1 9 . 1 1 86 86 THR N N 86 124.610 124.610 121.403 3.207 26068 4364 1 9 . 1 1 86 86 THR HA H 86 4.550 4.550 4.527 0.023 26068 4365 1 9 . 1 1 86 86 THR C C 86 174.770 174.770 173.104 1.666 26068 4366 1 9 . 1 1 86 86 THR CA C 86 60.440 60.440 61.013 -0.573 26068 4367 1 9 . 1 1 86 86 THR CB C 86 68.040 68.040 70.194 -2.154 26068 4368 1 9 . 1 1 86 86 THR H H 86 8.770 8.770 8.408 0.362 26068 4369 1 9 . 1 1 87 87 VAL C C 87 174.810 174.810 176.024 -1.214 26068 4370 1 9 . 1 1 87 87 VAL CA C 87 63.170 63.170 60.565 2.605 26068 4371 1 9 . 1 1 88 88 SER N N 88 122.640 122.640 119.216 3.424 26068 4372 1 9 . 1 1 88 88 SER HA H 88 4.470 4.470 4.707 -0.237 26068 4373 1 9 . 1 1 88 88 SER CA C 88 56.790 56.790 57.417 -0.627 26068 4374 1 9 . 1 1 88 88 SER H H 88 8.330 8.330 8.892 -0.562 26068 4375 1 9 . 1 1 89 89 LYS C C 89 176.560 176.560 178.001 -1.441 26068 4376 1 9 . 1 1 90 90 ILE N N 90 117.640 117.640 118.739 -1.099 26068 4377 1 9 . 1 1 90 90 ILE HA H 90 3.700 3.700 3.898 -0.198 26068 4378 1 9 . 1 1 90 90 ILE C C 90 178.250 178.250 176.253 1.997 26068 4379 1 9 . 1 1 90 90 ILE CA C 90 63.200 63.200 62.957 0.243 26068 4380 1 9 . 1 1 90 90 ILE CB C 90 36.230 36.230 37.914 -1.684 26068 4381 1 9 . 1 1 90 90 ILE H H 90 7.930 7.930 7.968 -0.038 26068 4382 1 9 . 1 1 91 91 LEU N N 91 121.350 121.350 118.315 3.035 26068 4383 1 9 . 1 1 91 91 LEU HA H 91 4.210 4.210 4.785 -0.575 26068 4384 1 9 . 1 1 91 91 LEU C C 91 177.410 177.410 175.095 2.315 26068 4385 1 9 . 1 1 91 91 LEU CA C 91 56.750 56.750 54.861 1.889 26068 4386 1 9 . 1 1 91 91 LEU CB C 91 39.561 39.561 45.033 -5.472 26068 4387 1 9 . 1 1 91 91 LEU H H 91 7.380 7.380 7.861 -0.481 26068 4388 1 9 . 1 1 92 92 THR N N 92 113.940 113.940 114.307 -0.367 26068 4389 1 9 . 1 1 92 92 THR HA H 92 3.670 3.670 4.717 -1.047 26068 4390 1 9 . 1 1 92 92 THR C C 92 176.170 176.170 173.509 2.661 26068 4391 1 9 . 1 1 92 92 THR CA C 92 66.150 66.150 62.533 3.617 26068 4392 1 9 . 1 1 92 92 THR CB C 92 66.950 66.950 69.318 -2.368 26068 4393 1 9 . 1 1 92 92 THR H H 92 7.780 7.780 7.651 0.129 26068 4394 1 9 . 1 1 93 93 ASP N N 93 121.580 121.580 122.333 -0.753 26068 4395 1 9 . 1 1 93 93 ASP HA H 93 4.360 4.360 4.730 -0.370 26068 4396 1 9 . 1 1 93 93 ASP C C 93 178.020 178.020 175.046 2.974 26068 4397 1 9 . 1 1 93 93 ASP CA C 93 56.140 56.140 54.085 2.055 26068 4398 1 9 . 1 1 93 93 ASP CB C 93 38.730 38.730 41.767 -3.038 26068 4399 1 9 . 1 1 93 93 ASP H H 93 8.790 8.790 7.816 0.974 26068 4400 1 9 . 1 1 94 94 ALA N N 94 124.610 124.610 129.018 -4.408 26068 4401 1 9 . 1 1 94 94 ALA HA H 94 4.130 4.130 3.990 0.140 26068 4402 1 9 . 1 1 94 94 ALA C C 94 180.080 180.080 175.608 4.472 26068 4403 1 9 . 1 1 94 94 ALA CA C 94 54.120 54.120 53.146 0.974 26068 4404 1 9 . 1 1 94 94 ALA CB C 94 17.110 17.110 18.541 -1.431 26068 4405 1 9 . 1 1 94 94 ALA H H 94 8.050 8.050 8.828 -0.778 26068 4406 1 9 . 1 1 95 95 VAL N N 95 119.040 119.040 116.910 2.130 26068 4407 1 9 . 1 1 95 95 VAL HA H 95 3.650 3.650 4.417 -0.767 26068 4408 1 9 . 1 1 95 95 VAL C C 95 177.260 177.260 174.787 2.473 26068 4409 1 9 . 1 1 95 95 VAL CA C 95 65.350 65.350 61.067 4.283 26068 4410 1 9 . 1 1 95 95 VAL CB C 95 30.640 30.640 33.895 -3.255 26068 4411 1 9 . 1 1 95 95 VAL H H 95 8.110 8.110 7.272 0.838 26068 4412 1 9 . 1 1 96 96 ASP N N 96 119.550 119.550 124.660 -5.110 26068 4413 1 9 . 1 1 96 96 ASP HA H 96 4.460 4.460 4.289 0.171 26068 4414 1 9 . 1 1 96 96 ASP C C 96 176.710 176.710 177.384 -0.674 26068 4415 1 9 . 1 1 96 96 ASP CA C 96 55.790 55.790 57.045 -1.255 26068 4416 1 9 . 1 1 96 96 ASP CB C 96 40.140 40.140 39.766 0.374 26068 4417 1 9 . 1 1 96 96 ASP H H 96 7.970 7.970 8.739 -0.768 26068 4418 1 9 . 1 1 97 97 SER N N 97 112.600 112.600 117.701 -5.101 26068 4419 1 9 . 1 1 97 97 SER HA H 97 4.420 4.420 4.313 0.107 26068 4420 1 9 . 1 1 97 97 SER CA C 97 58.290 58.290 60.158 -1.868 26068 4421 1 9 . 1 1 97 97 SER CB C 97 62.720 62.720 64.350 -1.630 26068 4422 1 9 . 1 1 97 97 SER H H 97 7.870 7.870 8.314 -0.444 26068 4423 1 9 . 1 1 98 98 HIS N N 98 122.580 122.580 121.078 1.502 26068 4424 1 9 . 1 1 98 98 HIS HA H 98 4.090 4.090 4.770 -0.680 26068 4425 1 9 . 1 1 98 98 HIS C C 98 173.400 173.400 173.088 0.312 26068 4426 1 9 . 1 1 98 98 HIS CA C 98 57.400 57.400 55.990 1.410 26068 4427 1 9 . 1 1 98 98 HIS CB C 98 29.810 29.810 31.089 -1.279 26068 4428 1 9 . 1 1 98 98 HIS H H 98 7.340 7.340 7.834 -0.494 26068 4429 1 10 . 1 1 2 2 ALA N N 2 125.690 125.690 126.010 -0.320 26068 4430 1 10 . 1 1 2 2 ALA C C 2 176.530 176.530 175.832 0.698 26068 4431 1 10 . 1 1 2 2 ALA CA C 2 51.730 51.730 51.477 0.253 26068 4432 1 10 . 1 1 2 2 ALA H H 2 8.250 8.250 8.542 -0.292 26068 4433 1 10 . 1 1 3 3 LYS N N 3 121.040 121.040 120.694 0.346 26068 4434 1 10 . 1 1 3 3 LYS C C 3 175.520 175.520 175.270 0.250 26068 4435 1 10 . 1 1 3 3 LYS CA C 3 55.230 55.230 55.729 -0.499 26068 4436 1 10 . 1 1 3 3 LYS H H 3 8.210 8.210 8.412 -0.202 26068 4437 1 10 . 1 1 4 4 ILE N N 4 122.490 122.490 122.594 -0.104 26068 4438 1 10 . 1 1 4 4 ILE HA H 4 4.180 4.180 4.115 0.065 26068 4439 1 10 . 1 1 4 4 ILE C C 4 174.950 174.950 176.012 -1.062 26068 4440 1 10 . 1 1 4 4 ILE CA C 4 59.870 59.870 61.255 -1.385 26068 4441 1 10 . 1 1 4 4 ILE H H 4 8.170 8.170 8.342 -0.172 26068 4442 1 10 . 1 1 5 5 LYS N N 5 126.600 126.600 128.056 -1.456 26068 4443 1 10 . 1 1 5 5 LYS C C 5 174.330 174.330 176.065 -1.735 26068 4444 1 10 . 1 1 5 5 LYS CA C 5 55.060 55.060 56.070 -1.010 26068 4445 1 10 . 1 1 5 5 LYS H H 5 8.320 8.320 8.368 -0.048 26068 4446 1 10 . 1 1 6 6 SER N N 6 118.400 118.400 119.173 -0.773 26068 4447 1 10 . 1 1 6 6 SER C C 6 174.220 174.220 173.923 0.297 26068 4448 1 10 . 1 1 6 6 SER CA C 6 56.300 56.300 58.063 -1.763 26068 4449 1 10 . 1 1 6 6 SER H H 6 8.200 8.200 8.403 -0.203 26068 4450 1 10 . 1 1 7 7 LEU N N 7 125.400 125.400 121.437 3.963 26068 4451 1 10 . 1 1 7 7 LEU C C 7 177.730 177.730 175.317 2.413 26068 4452 1 10 . 1 1 7 7 LEU CA C 7 54.950 54.950 55.024 -0.074 26068 4453 1 10 . 1 1 7 7 LEU CB C 7 42.000 42.000 43.333 -1.333 26068 4454 1 10 . 1 1 7 7 LEU H H 7 9.050 9.050 8.256 0.794 26068 4455 1 10 . 1 1 8 8 SER N N 8 124.870 124.870 116.414 8.456 26068 4456 1 10 . 1 1 8 8 SER HA H 8 4.510 4.510 4.762 -0.252 26068 4457 1 10 . 1 1 8 8 SER C C 8 173.810 173.810 175.909 -2.099 26068 4458 1 10 . 1 1 8 8 SER CA C 8 56.740 56.740 56.947 -0.207 26068 4459 1 10 . 1 1 8 8 SER CB C 8 64.390 64.390 64.407 -0.017 26068 4460 1 10 . 1 1 8 8 SER H H 8 9.140 9.140 8.216 0.924 26068 4461 1 10 . 1 1 9 9 ALA N N 9 124.340 124.340 124.881 -0.541 26068 4462 1 10 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.117 0.283 26068 4463 1 10 . 1 1 9 9 ALA C C 9 178.940 178.940 179.563 -0.623 26068 4464 1 10 . 1 1 9 9 ALA CA C 9 54.940 54.940 54.972 -0.032 26068 4465 1 10 . 1 1 9 9 ALA H H 9 8.710 8.710 8.499 0.211 26068 4466 1 10 . 1 1 10 10 ALA N N 10 117.990 117.990 119.488 -1.498 26068 4467 1 10 . 1 1 10 10 ALA C C 10 180.600 180.600 179.624 0.976 26068 4468 1 10 . 1 1 10 10 ALA CA C 10 54.380 54.380 53.943 0.437 26068 4469 1 10 . 1 1 10 10 ALA CB C 10 17.240 17.240 18.266 -1.026 26068 4470 1 10 . 1 1 10 10 ALA H H 10 8.380 8.380 8.408 -0.028 26068 4471 1 10 . 1 1 11 11 GLU N N 11 118.900 118.900 119.169 -0.269 26068 4472 1 10 . 1 1 11 11 GLU HA H 11 4.040 4.040 4.173 -0.133 26068 4473 1 10 . 1 1 11 11 GLU C C 11 177.770 177.770 177.575 0.195 26068 4474 1 10 . 1 1 11 11 GLU CA C 11 58.210 58.210 57.516 0.694 26068 4475 1 10 . 1 1 11 11 GLU CB C 11 29.310 29.310 29.343 -0.033 26068 4476 1 10 . 1 1 11 11 GLU H H 11 7.780 7.780 8.083 -0.303 26068 4477 1 10 . 1 1 12 12 TYR N N 12 125.590 125.590 119.263 6.327 26068 4478 1 10 . 1 1 12 12 TYR C C 12 179.280 179.280 176.743 2.537 26068 4479 1 10 . 1 1 12 12 TYR CA C 12 59.690 59.690 59.119 0.571 26068 4480 1 10 . 1 1 12 12 TYR CB C 12 37.530 37.530 39.058 -1.528 26068 4481 1 10 . 1 1 12 12 TYR H H 12 8.800 8.800 7.671 1.129 26068 4482 1 10 . 1 1 13 13 LEU N N 13 118.240 118.240 117.706 0.534 26068 4483 1 10 . 1 1 13 13 LEU HA H 13 4.130 4.130 3.661 0.469 26068 4484 1 10 . 1 1 13 13 LEU C C 13 177.790 177.790 177.825 -0.035 26068 4485 1 10 . 1 1 13 13 LEU CA C 13 58.180 58.180 57.427 0.753 26068 4486 1 10 . 1 1 13 13 LEU CB C 13 41.290 41.290 41.491 -0.201 26068 4487 1 10 . 1 1 13 13 LEU H H 13 8.770 8.770 7.458 1.312 26068 4488 1 10 . 1 1 14 14 LYS N N 14 118.870 118.870 116.288 2.582 26068 4489 1 10 . 1 1 14 14 LYS HA H 14 3.980 3.980 3.966 0.014 26068 4490 1 10 . 1 1 14 14 LYS C C 14 177.090 177.090 178.760 -1.670 26068 4491 1 10 . 1 1 14 14 LYS CA C 14 58.610 58.610 58.698 -0.088 26068 4492 1 10 . 1 1 14 14 LYS CB C 14 31.220 31.220 31.880 -0.659 26068 4493 1 10 . 1 1 14 14 LYS H H 14 7.790 7.790 8.028 -0.238 26068 4494 1 10 . 1 1 15 15 GLU N N 15 119.560 119.560 119.890 -0.330 26068 4495 1 10 . 1 1 15 15 GLU HA H 15 4.050 4.050 4.227 -0.177 26068 4496 1 10 . 1 1 15 15 GLU C C 15 179.660 179.660 178.155 1.505 26068 4497 1 10 . 1 1 15 15 GLU CA C 15 59.260 59.260 57.821 1.439 26068 4498 1 10 . 1 1 15 15 GLU CB C 15 28.010 28.010 29.537 -1.527 26068 4499 1 10 . 1 1 15 15 GLU H H 15 8.330 8.330 7.926 0.404 26068 4500 1 10 . 1 1 16 16 MET N N 16 116.760 116.760 118.883 -2.123 26068 4501 1 10 . 1 1 16 16 MET HA H 16 4.420 4.420 4.216 0.204 26068 4502 1 10 . 1 1 16 16 MET C C 16 178.960 178.960 176.754 2.206 26068 4503 1 10 . 1 1 16 16 MET CA C 16 58.200 58.200 56.071 2.129 26068 4504 1 10 . 1 1 16 16 MET CB C 16 34.370 34.370 32.084 2.286 26068 4505 1 10 . 1 1 16 16 MET H H 16 7.940 7.940 7.269 0.671 26068 4506 1 10 . 1 1 17 17 ALA N N 17 128.000 128.000 122.009 5.991 26068 4507 1 10 . 1 1 17 17 ALA HA H 17 4.210 4.210 3.993 0.217 26068 4508 1 10 . 1 1 17 17 ALA C C 17 179.620 179.620 179.185 0.435 26068 4509 1 10 . 1 1 17 17 ALA CA C 17 54.760 54.760 54.698 0.062 26068 4510 1 10 . 1 1 17 17 ALA CB C 17 17.750 17.750 18.166 -0.416 26068 4511 1 10 . 1 1 17 17 ALA H H 17 8.820 8.820 7.604 1.216 26068 4512 1 10 . 1 1 18 18 ASP N N 18 119.660 119.660 117.035 2.625 26068 4513 1 10 . 1 1 18 18 ASP HA H 18 4.420 4.420 4.490 -0.070 26068 4514 1 10 . 1 1 18 18 ASP C C 18 177.750 177.750 177.175 0.575 26068 4515 1 10 . 1 1 18 18 ASP CA C 18 55.790 55.790 55.547 0.243 26068 4516 1 10 . 1 1 18 18 ASP CB C 18 38.980 38.980 40.667 -1.687 26068 4517 1 10 . 1 1 18 18 ASP H H 18 8.770 8.770 8.473 0.297 26068 4518 1 10 . 1 1 19 19 GLU N N 19 117.150 117.150 119.222 -2.072 26068 4519 1 10 . 1 1 19 19 GLU HA H 19 4.190 4.190 4.227 -0.037 26068 4520 1 10 . 1 1 19 19 GLU C C 19 177.540 177.540 177.167 0.373 26068 4521 1 10 . 1 1 19 19 GLU CA C 19 57.750 57.750 57.639 0.111 26068 4522 1 10 . 1 1 19 19 GLU CB C 19 29.360 29.360 30.390 -1.030 26068 4523 1 10 . 1 1 19 19 GLU H H 19 7.620 7.620 7.812 -0.192 26068 4524 1 10 . 1 1 20 20 THR N N 20 105.730 105.730 114.532 -8.802 26068 4525 1 10 . 1 1 20 20 THR HA H 20 4.120 4.120 4.250 -0.130 26068 4526 1 10 . 1 1 20 20 THR C C 20 174.800 174.800 174.337 0.463 26068 4527 1 10 . 1 1 20 20 THR CA C 20 62.200 62.200 63.120 -0.920 26068 4528 1 10 . 1 1 20 20 THR CB C 20 70.870 70.870 67.827 3.043 26068 4529 1 10 . 1 1 20 20 THR H H 20 7.900 7.900 7.939 -0.039 26068 4530 1 10 . 1 1 21 21 ASN N N 21 116.950 116.950 123.982 -7.032 26068 4531 1 10 . 1 1 21 21 ASN HA H 21 4.390 4.390 4.806 -0.416 26068 4532 1 10 . 1 1 21 21 ASN C C 21 173.060 173.060 175.741 -2.681 26068 4533 1 10 . 1 1 21 21 ASN CA C 21 54.210 54.210 53.714 0.496 26068 4534 1 10 . 1 1 21 21 ASN CB C 21 36.870 36.870 39.510 -2.640 26068 4535 1 10 . 1 1 21 21 ASN H H 21 8.460 8.460 8.339 0.121 26068 4536 1 10 . 1 1 22 22 ILE N N 22 121.830 121.830 115.027 6.803 26068 4537 1 10 . 1 1 22 22 ILE HA H 22 4.140 4.140 4.340 -0.200 26068 4538 1 10 . 1 1 22 22 ILE C C 22 174.780 174.780 175.159 -0.379 26068 4539 1 10 . 1 1 22 22 ILE CA C 22 59.100 59.100 61.474 -2.374 26068 4540 1 10 . 1 1 22 22 ILE CB C 22 37.060 37.060 38.415 -1.355 26068 4541 1 10 . 1 1 22 22 ILE H H 22 7.680 7.680 8.288 -0.608 26068 4542 1 10 . 1 1 23 23 LYS N N 23 124.750 124.750 118.159 6.591 26068 4543 1 10 . 1 1 23 23 LYS HA H 23 4.140 4.140 4.453 -0.313 26068 4544 1 10 . 1 1 23 23 LYS C C 23 178.550 178.550 173.827 4.723 26068 4545 1 10 . 1 1 23 23 LYS CA C 23 55.940 55.940 55.707 0.233 26068 4546 1 10 . 1 1 23 23 LYS CB C 23 31.670 31.670 34.827 -3.156 26068 4547 1 10 . 1 1 23 23 LYS H H 23 8.510 8.510 7.222 1.288 26068 4548 1 10 . 1 1 24 24 VAL N N 24 122.570 122.570 118.829 3.741 26068 4549 1 10 . 1 1 24 24 VAL C C 24 176.350 176.350 176.127 0.223 26068 4550 1 10 . 1 1 24 24 VAL CA C 24 66.090 66.090 63.764 2.326 26068 4551 1 10 . 1 1 24 24 VAL CB C 24 30.640 30.640 33.986 -3.346 26068 4552 1 10 . 1 1 24 24 VAL H H 24 8.800 8.800 8.730 0.070 26068 4553 1 10 . 1 1 25 25 GLN N N 25 117.730 117.730 120.170 -2.440 26068 4554 1 10 . 1 1 25 25 GLN C C 25 177.420 177.420 177.968 -0.548 26068 4555 1 10 . 1 1 25 25 GLN CA C 25 58.500 58.500 58.137 0.363 26068 4556 1 10 . 1 1 25 25 GLN CB C 25 26.800 26.800 27.818 -1.018 26068 4557 1 10 . 1 1 25 25 GLN H H 25 8.950 8.950 8.641 0.309 26068 4558 1 10 . 1 1 26 26 ASP N N 26 120.360 120.360 120.197 0.163 26068 4559 1 10 . 1 1 26 26 ASP HA H 26 4.610 4.610 4.489 0.120 26068 4560 1 10 . 1 1 26 26 ASP C C 26 177.320 177.320 178.325 -1.005 26068 4561 1 10 . 1 1 26 26 ASP CA C 26 55.980 55.980 56.857 -0.877 26068 4562 1 10 . 1 1 26 26 ASP CB C 26 39.240 39.240 40.153 -0.913 26068 4563 1 10 . 1 1 26 26 ASP H H 26 7.100 7.100 8.665 -1.565 26068 4564 1 10 . 1 1 27 27 ILE N N 27 120.730 120.730 119.689 1.041 26068 4565 1 10 . 1 1 27 27 ILE C C 27 177.470 177.470 177.420 0.050 26068 4566 1 10 . 1 1 27 27 ILE CA C 27 65.110 65.110 62.406 2.704 26068 4567 1 10 . 1 1 27 27 ILE CB C 27 35.840 35.840 36.760 -0.920 26068 4568 1 10 . 1 1 27 27 ILE H H 27 7.950 7.950 7.388 0.562 26068 4569 1 10 . 1 1 28 28 ARG N N 28 118.340 118.340 119.477 -1.137 26068 4570 1 10 . 1 1 28 28 ARG C C 28 178.150 178.150 178.453 -0.303 26068 4571 1 10 . 1 1 28 28 ARG CA C 28 59.040 59.040 59.642 -0.602 26068 4572 1 10 . 1 1 28 28 ARG CB C 28 28.910 28.910 29.910 -1.000 26068 4573 1 10 . 1 1 28 28 ARG H H 28 8.640 8.640 7.650 0.990 26068 4574 1 10 . 1 1 29 29 LEU N N 29 119.800 119.800 119.641 0.159 26068 4575 1 10 . 1 1 29 29 LEU HA H 29 4.050 4.050 4.225 -0.175 26068 4576 1 10 . 1 1 29 29 LEU C C 29 178.970 178.970 178.380 0.590 26068 4577 1 10 . 1 1 29 29 LEU CA C 29 57.150 57.150 57.611 -0.461 26068 4578 1 10 . 1 1 29 29 LEU CB C 29 40.840 40.840 41.757 -0.917 26068 4579 1 10 . 1 1 29 29 LEU H H 29 7.340 7.340 7.516 -0.176 26068 4580 1 10 . 1 1 30 30 VAL N N 30 120.200 120.200 120.708 -0.508 26068 4581 1 10 . 1 1 30 30 VAL HA H 30 3.410 3.410 3.819 -0.409 26068 4582 1 10 . 1 1 30 30 VAL C C 30 176.580 176.580 179.188 -2.608 26068 4583 1 10 . 1 1 30 30 VAL CA C 30 66.490 66.490 66.017 0.473 26068 4584 1 10 . 1 1 30 30 VAL CB C 30 30.390 30.390 30.971 -0.581 26068 4585 1 10 . 1 1 30 30 VAL H H 30 7.930 7.930 7.346 0.584 26068 4586 1 10 . 1 1 31 31 VAL N N 31 119.110 119.110 119.093 0.017 26068 4587 1 10 . 1 1 31 31 VAL HA H 31 3.210 3.210 3.739 -0.529 26068 4588 1 10 . 1 1 31 31 VAL C C 31 177.750 177.750 177.316 0.434 26068 4589 1 10 . 1 1 31 31 VAL CA C 31 66.040 66.040 66.188 -0.148 26068 4590 1 10 . 1 1 31 31 VAL CB C 31 29.870 29.870 31.147 -1.277 26068 4591 1 10 . 1 1 31 31 VAL H H 31 8.520 8.520 8.147 0.373 26068 4592 1 10 . 1 1 32 32 THR N N 32 118.400 118.400 115.536 2.864 26068 4593 1 10 . 1 1 32 32 THR C C 32 175.680 175.680 176.573 -0.893 26068 4594 1 10 . 1 1 32 32 THR CA C 32 66.440 66.440 66.217 0.223 26068 4595 1 10 . 1 1 32 32 THR CB C 32 67.470 67.470 68.932 -1.462 26068 4596 1 10 . 1 1 32 32 THR H H 32 8.220 8.220 7.484 0.736 26068 4597 1 10 . 1 1 33 33 SER N N 33 118.470 118.470 118.500 -0.030 26068 4598 1 10 . 1 1 33 33 SER HA H 33 4.330 4.330 4.165 0.165 26068 4599 1 10 . 1 1 33 33 SER C C 33 175.560 175.560 176.694 -1.134 26068 4600 1 10 . 1 1 33 33 SER CA C 33 60.860 60.860 61.645 -0.785 26068 4601 1 10 . 1 1 33 33 SER CB C 33 62.720 62.720 62.294 0.426 26068 4602 1 10 . 1 1 33 33 SER H H 33 7.820 7.820 8.582 -0.762 26068 4603 1 10 . 1 1 34 34 LEU N N 34 120.790 120.790 121.434 -0.644 26068 4604 1 10 . 1 1 34 34 LEU C C 34 180.120 180.120 178.771 1.349 26068 4605 1 10 . 1 1 34 34 LEU CA C 34 58.680 58.680 57.180 1.500 26068 4606 1 10 . 1 1 34 34 LEU CB C 34 41.870 41.870 41.697 0.173 26068 4607 1 10 . 1 1 34 34 LEU H H 34 8.940 8.940 7.302 1.638 26068 4608 1 10 . 1 1 35 35 GLN N N 35 117.680 117.680 116.944 0.736 26068 4609 1 10 . 1 1 35 35 GLN HA H 35 3.800 3.800 4.132 -0.332 26068 4610 1 10 . 1 1 35 35 GLN C C 35 176.160 176.160 178.488 -2.328 26068 4611 1 10 . 1 1 35 35 GLN CA C 35 58.910 58.910 57.685 1.224 26068 4612 1 10 . 1 1 35 35 GLN CB C 35 29.040 29.040 28.361 0.679 26068 4613 1 10 . 1 1 35 35 GLN H H 35 7.670 7.670 7.762 -0.092 26068 4614 1 10 . 1 1 36 36 LYS N N 36 124.070 124.070 119.660 4.410 26068 4615 1 10 . 1 1 36 36 LYS HA H 36 4.000 4.000 4.030 -0.030 26068 4616 1 10 . 1 1 36 36 LYS C C 36 178.720 178.720 178.294 0.426 26068 4617 1 10 . 1 1 36 36 LYS CA C 36 59.100 59.100 59.085 0.015 26068 4618 1 10 . 1 1 36 36 LYS CB C 36 31.480 31.480 32.223 -0.743 26068 4619 1 10 . 1 1 36 36 LYS H H 36 8.100 8.100 7.387 0.713 26068 4620 1 10 . 1 1 37 37 VAL N N 37 120.470 120.470 117.099 3.371 26068 4621 1 10 . 1 1 37 37 VAL HA H 37 3.420 3.420 3.878 -0.458 26068 4622 1 10 . 1 1 37 37 VAL C C 37 176.250 176.250 177.241 -0.991 26068 4623 1 10 . 1 1 37 37 VAL CA C 37 65.610 65.610 65.249 0.361 26068 4624 1 10 . 1 1 37 37 VAL H H 37 8.560 8.560 7.638 0.922 26068 4625 1 10 . 1 1 38 38 LEU N N 38 119.990 119.990 120.666 -0.676 26068 4626 1 10 . 1 1 38 38 LEU C C 38 176.920 176.920 178.115 -1.195 26068 4627 1 10 . 1 1 38 38 LEU CA C 38 57.720 57.720 56.729 0.991 26068 4628 1 10 . 1 1 38 38 LEU CB C 38 41.040 41.040 40.759 0.281 26068 4629 1 10 . 1 1 38 38 LEU H H 38 7.120 7.120 7.685 -0.565 26068 4630 1 10 . 1 1 39 39 ALA N N 39 117.870 117.870 120.764 -2.894 26068 4631 1 10 . 1 1 39 39 ALA HA H 39 3.780 3.780 4.056 -0.276 26068 4632 1 10 . 1 1 39 39 ALA C C 39 177.770 177.770 178.499 -0.729 26068 4633 1 10 . 1 1 39 39 ALA CA C 39 53.910 53.910 54.817 -0.907 26068 4634 1 10 . 1 1 39 39 ALA CB C 39 17.370 17.370 18.235 -0.865 26068 4635 1 10 . 1 1 39 39 ALA H H 39 7.540 7.540 7.878 -0.338 26068 4636 1 10 . 1 1 40 40 LYS N N 40 117.340 117.340 116.669 0.671 26068 4637 1 10 . 1 1 40 40 LYS HA H 40 3.220 3.220 4.326 -1.106 26068 4638 1 10 . 1 1 40 40 LYS C C 40 179.390 179.390 178.466 0.924 26068 4639 1 10 . 1 1 40 40 LYS CA C 40 58.170 58.170 57.671 0.499 26068 4640 1 10 . 1 1 40 40 LYS CB C 40 29.750 29.750 33.535 -3.785 26068 4641 1 10 . 1 1 40 40 LYS H H 40 7.760 7.760 7.390 0.370 26068 4642 1 10 . 1 1 41 41 GLU N N 41 119.510 119.510 122.059 -2.549 26068 4643 1 10 . 1 1 41 41 GLU HA H 41 3.900 3.900 4.126 -0.226 26068 4644 1 10 . 1 1 41 41 GLU C C 41 179.390 179.390 178.990 0.400 26068 4645 1 10 . 1 1 41 41 GLU CA C 41 57.850 57.850 58.713 -0.863 26068 4646 1 10 . 1 1 41 41 GLU CB C 41 28.720 28.720 29.468 -0.748 26068 4647 1 10 . 1 1 41 41 GLU H H 41 8.810 8.810 7.962 0.848 26068 4648 1 10 . 1 1 42 42 LEU N N 42 120.430 120.430 119.514 0.916 26068 4649 1 10 . 1 1 42 42 LEU HA H 42 3.670 3.670 4.296 -0.626 26068 4650 1 10 . 1 1 42 42 LEU C C 42 176.370 176.370 179.261 -2.891 26068 4651 1 10 . 1 1 42 42 LEU CA C 42 57.650 57.650 56.760 0.890 26068 4652 1 10 . 1 1 42 42 LEU CB C 42 41.040 41.040 40.986 0.054 26068 4653 1 10 . 1 1 42 42 LEU H H 42 8.200 8.200 7.937 0.263 26068 4654 1 10 . 1 1 43 43 ALA N N 43 117.000 117.000 120.503 -3.503 26068 4655 1 10 . 1 1 43 43 ALA HA H 43 4.030 4.030 4.041 -0.011 26068 4656 1 10 . 1 1 43 43 ALA C C 43 177.510 177.510 177.930 -0.420 26068 4657 1 10 . 1 1 43 43 ALA CA C 43 53.130 53.130 54.480 -1.351 26068 4658 1 10 . 1 1 43 43 ALA CB C 43 19.230 19.230 18.712 0.517 26068 4659 1 10 . 1 1 43 43 ALA H H 43 7.850 7.850 8.227 -0.377 26068 4660 1 10 . 1 1 44 44 THR N N 44 107.520 107.520 106.272 1.248 26068 4661 1 10 . 1 1 44 44 THR HA H 44 4.370 4.370 4.371 -0.001 26068 4662 1 10 . 1 1 44 44 THR C C 44 174.160 174.160 174.546 -0.386 26068 4663 1 10 . 1 1 44 44 THR CA C 44 61.030 61.030 61.309 -0.279 26068 4664 1 10 . 1 1 44 44 THR CB C 44 69.200 69.200 68.828 0.372 26068 4665 1 10 . 1 1 44 44 THR H H 44 7.570 7.570 7.436 0.134 26068 4666 1 10 . 1 1 45 45 THR N N 45 120.020 120.020 112.846 7.174 26068 4667 1 10 . 1 1 45 45 THR HA H 45 4.170 4.170 3.963 0.207 26068 4668 1 10 . 1 1 45 45 THR C C 45 175.160 175.160 174.119 1.041 26068 4669 1 10 . 1 1 45 45 THR CA C 45 63.160 63.160 63.839 -0.679 26068 4670 1 10 . 1 1 45 45 THR CB C 45 68.750 68.750 66.900 1.850 26068 4671 1 10 . 1 1 45 45 THR H H 45 8.690 8.690 7.799 0.891 26068 4672 1 10 . 1 1 46 46 GLY N N 46 108.110 108.110 107.524 0.586 26068 4673 1 10 . 1 1 46 46 GLY C C 46 171.890 171.890 172.922 -1.032 26068 4674 1 10 . 1 1 46 46 GLY CA C 46 44.600 44.600 43.881 0.719 26068 4675 1 10 . 1 1 46 46 GLY H H 46 8.300 8.300 7.893 0.407 26068 4676 1 10 . 1 1 47 47 GLU N N 47 115.320 115.320 122.881 -7.561 26068 4677 1 10 . 1 1 47 47 GLU HA H 47 5.330 5.330 4.502 0.828 26068 4678 1 10 . 1 1 47 47 GLU C C 47 173.280 173.280 175.462 -2.182 26068 4679 1 10 . 1 1 47 47 GLU CA C 47 54.060 54.060 55.728 -1.668 26068 4680 1 10 . 1 1 47 47 GLU CB C 47 32.280 32.280 31.648 0.632 26068 4681 1 10 . 1 1 47 47 GLU H H 47 7.210 7.210 8.610 -1.400 26068 4682 1 10 . 1 1 48 48 VAL N N 48 118.460 118.460 124.362 -5.902 26068 4683 1 10 . 1 1 48 48 VAL HA H 48 4.450 4.450 4.467 -0.017 26068 4684 1 10 . 1 1 48 48 VAL C C 48 171.500 171.500 174.458 -2.958 26068 4685 1 10 . 1 1 48 48 VAL CA C 48 60.080 60.080 61.000 -0.920 26068 4686 1 10 . 1 1 48 48 VAL CB C 48 32.510 32.510 35.427 -2.917 26068 4687 1 10 . 1 1 48 48 VAL H H 48 8.810 8.810 8.627 0.183 26068 4688 1 10 . 1 1 49 49 ARG N N 49 129.960 129.960 125.975 3.985 26068 4689 1 10 . 1 1 49 49 ARG HA H 49 4.700 4.700 4.745 -0.045 26068 4690 1 10 . 1 1 49 49 ARG C C 49 173.520 173.520 175.114 -1.594 26068 4691 1 10 . 1 1 49 49 ARG CA C 49 54.960 54.960 55.208 -0.248 26068 4692 1 10 . 1 1 49 49 ARG CB C 49 29.170 29.170 32.473 -3.303 26068 4693 1 10 . 1 1 49 49 ARG H H 49 9.510 9.510 8.637 0.873 26068 4694 1 10 . 1 1 50 50 LEU N N 50 129.550 129.550 126.320 3.230 26068 4695 1 10 . 1 1 50 50 LEU HA H 50 4.440 4.440 4.766 -0.326 26068 4696 1 10 . 1 1 50 50 LEU C C 50 171.890 171.890 175.430 -3.540 26068 4697 1 10 . 1 1 50 50 LEU CA C 50 51.100 51.100 53.639 -2.538 26068 4698 1 10 . 1 1 50 50 LEU CB C 50 41.740 41.740 43.952 -2.212 26068 4699 1 10 . 1 1 50 50 LEU H H 50 8.960 8.960 9.022 -0.062 26068 4700 1 10 . 1 1 51 51 PHE N N 51 122.720 122.720 125.457 -2.737 26068 4701 1 10 . 1 1 51 51 PHE HA H 51 3.750 3.750 4.394 -0.644 26068 4702 1 10 . 1 1 51 51 PHE C C 51 173.520 173.520 176.208 -2.688 26068 4703 1 10 . 1 1 51 51 PHE CA C 51 59.750 59.750 59.995 -0.245 26068 4704 1 10 . 1 1 51 51 PHE CB C 51 36.610 36.610 40.096 -3.486 26068 4705 1 10 . 1 1 51 51 PHE H H 51 7.960 7.960 8.707 -0.747 26068 4706 1 10 . 1 1 52 52 ASP N N 52 122.670 122.670 123.733 -1.063 26068 4707 1 10 . 1 1 52 52 ASP HA H 52 5.070 5.070 4.089 0.981 26068 4708 1 10 . 1 1 52 52 ASP C C 52 175.160 175.160 175.096 0.064 26068 4709 1 10 . 1 1 52 52 ASP CA C 52 53.380 53.380 55.402 -2.022 26068 4710 1 10 . 1 1 52 52 ASP CB C 52 39.950 39.950 39.503 0.447 26068 4711 1 10 . 1 1 52 52 ASP H H 52 8.690 8.690 8.308 0.382 26068 4712 1 10 . 1 1 53 53 ILE N N 53 121.190 121.190 118.227 2.963 26068 4713 1 10 . 1 1 53 53 ILE HA H 53 3.980 3.980 4.213 -0.233 26068 4714 1 10 . 1 1 53 53 ILE C C 53 174.950 174.950 175.061 -0.111 26068 4715 1 10 . 1 1 53 53 ILE CA C 53 63.530 63.530 62.352 1.179 26068 4716 1 10 . 1 1 53 53 ILE CB C 53 37.000 37.000 39.889 -2.889 26068 4717 1 10 . 1 1 53 53 ILE H H 53 8.710 8.710 7.352 1.358 26068 4718 1 10 . 1 1 54 54 GLY N N 54 101.400 101.400 105.356 -3.956 26068 4719 1 10 . 1 1 54 54 GLY C C 54 169.840 169.840 171.469 -1.629 26068 4720 1 10 . 1 1 54 54 GLY CA C 54 43.740 43.740 45.587 -1.847 26068 4721 1 10 . 1 1 54 54 GLY H H 54 6.690 6.690 8.008 -1.318 26068 4722 1 10 . 1 1 55 55 LYS N N 55 119.440 119.440 117.856 1.584 26068 4723 1 10 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.895 0.035 26068 4724 1 10 . 1 1 55 55 LYS C C 55 174.340 174.340 174.686 -0.346 26068 4725 1 10 . 1 1 55 55 LYS CA C 55 54.190 54.190 54.350 -0.160 26068 4726 1 10 . 1 1 55 55 LYS CB C 55 33.660 33.660 36.306 -2.646 26068 4727 1 10 . 1 1 55 55 LYS H H 55 8.110 8.110 8.534 -0.424 26068 4728 1 10 . 1 1 56 56 PHE N N 56 128.540 128.540 120.946 7.594 26068 4729 1 10 . 1 1 56 56 PHE HA H 56 5.170 5.170 4.959 0.211 26068 4730 1 10 . 1 1 56 56 PHE C C 56 174.040 174.040 175.598 -1.558 26068 4731 1 10 . 1 1 56 56 PHE CA C 56 56.140 56.140 57.781 -1.641 26068 4732 1 10 . 1 1 56 56 PHE CB C 56 41.100 41.100 39.867 1.233 26068 4733 1 10 . 1 1 56 56 PHE H H 56 9.420 9.420 9.263 0.157 26068 4734 1 10 . 1 1 57 57 LYS N N 57 120.820 120.820 124.501 -3.681 26068 4735 1 10 . 1 1 57 57 LYS HA H 57 5.030 5.030 4.711 0.319 26068 4736 1 10 . 1 1 57 57 LYS C C 57 173.280 173.280 174.811 -1.531 26068 4737 1 10 . 1 1 57 57 LYS CA C 57 54.190 54.190 55.221 -1.030 26068 4738 1 10 . 1 1 57 57 LYS CB C 57 36.420 36.420 34.882 1.538 26068 4739 1 10 . 1 1 57 57 LYS H H 57 9.060 9.060 9.156 -0.096 26068 4740 1 10 . 1 1 58 58 LEU N N 58 125.690 125.690 124.637 1.053 26068 4741 1 10 . 1 1 58 58 LEU HA H 58 4.950 4.950 4.937 0.013 26068 4742 1 10 . 1 1 58 58 LEU C C 58 175.180 175.180 177.299 -2.119 26068 4743 1 10 . 1 1 58 58 LEU CA C 58 52.890 52.890 52.856 0.034 26068 4744 1 10 . 1 1 58 58 LEU CB C 58 42.320 42.320 41.154 1.166 26068 4745 1 10 . 1 1 58 58 LEU H H 58 8.420 8.420 8.542 -0.122 26068 4746 1 10 . 1 1 59 59 VAL N N 59 125.770 125.770 120.747 5.023 26068 4747 1 10 . 1 1 59 59 VAL HA H 59 4.540 4.540 4.783 -0.243 26068 4748 1 10 . 1 1 59 59 VAL C C 59 174.690 174.690 174.961 -0.271 26068 4749 1 10 . 1 1 59 59 VAL CA C 59 59.780 59.780 60.132 -0.352 26068 4750 1 10 . 1 1 59 59 VAL CB C 59 32.950 32.950 34.529 -1.579 26068 4751 1 10 . 1 1 59 59 VAL H H 59 9.260 9.260 8.972 0.288 26068 4752 1 10 . 1 1 60 60 THR N N 60 119.180 119.180 115.598 3.582 26068 4753 1 10 . 1 1 60 60 THR C C 60 174.250 174.250 174.489 -0.239 26068 4754 1 10 . 1 1 60 60 THR CA C 60 60.740 60.740 60.095 0.645 26068 4755 1 10 . 1 1 60 60 THR CB C 60 65.260 65.260 70.362 -5.102 26068 4756 1 10 . 1 1 60 60 THR H H 60 8.480 8.480 8.223 0.257 26068 4757 1 10 . 1 1 61 61 THR N N 61 117.840 117.840 115.643 2.197 26068 4758 1 10 . 1 1 61 61 THR C C 61 173.550 173.550 174.185 -0.635 26068 4759 1 10 . 1 1 61 61 THR CA C 61 59.290 59.290 60.703 -1.413 26068 4760 1 10 . 1 1 61 61 THR H H 61 8.610 8.610 8.831 -0.221 26068 4761 1 10 . 1 1 62 62 LYS N N 62 122.610 122.610 127.051 -4.441 26068 4762 1 10 . 1 1 62 62 LYS HA H 62 4.480 4.480 4.235 0.245 26068 4763 1 10 . 1 1 62 62 LYS CA C 62 53.750 53.750 56.122 -2.372 26068 4764 1 10 . 1 1 62 62 LYS H H 62 8.380 8.380 8.626 -0.246 26068 4765 1 10 . 1 1 63 63 PRO C C 63 176.780 176.780 176.506 0.274 26068 4766 1 10 . 1 1 64 64 ARG N N 64 116.830 116.830 117.990 -1.160 26068 4767 1 10 . 1 1 64 64 ARG C C 64 177.070 177.070 174.985 2.085 26068 4768 1 10 . 1 1 64 64 ARG CA C 64 57.230 57.230 55.074 2.156 26068 4769 1 10 . 1 1 64 64 ARG H H 64 8.130 8.130 8.302 -0.172 26068 4770 1 10 . 1 1 65 65 THR N N 65 127.240 127.240 114.395 12.845 26068 4771 1 10 . 1 1 65 65 THR C C 65 173.780 173.780 173.892 -0.112 26068 4772 1 10 . 1 1 65 65 THR CA C 65 60.680 60.680 59.622 1.058 26068 4773 1 10 . 1 1 65 65 THR H H 65 7.370 7.370 8.287 -0.917 26068 4774 1 10 . 1 1 66 66 GLY N N 66 112.840 112.840 111.010 1.830 26068 4775 1 10 . 1 1 66 66 GLY C C 66 171.630 171.630 171.931 -0.301 26068 4776 1 10 . 1 1 66 66 GLY CA C 66 43.610 43.610 44.492 -0.882 26068 4777 1 10 . 1 1 66 66 GLY H H 66 8.760 8.760 8.093 0.667 26068 4778 1 10 . 1 1 67 67 ILE N N 67 119.560 119.560 115.216 4.344 26068 4779 1 10 . 1 1 67 67 ILE C C 67 175.110 175.110 174.248 0.862 26068 4780 1 10 . 1 1 67 67 ILE CA C 67 58.220 58.220 58.483 -0.263 26068 4781 1 10 . 1 1 67 67 ILE H H 67 8.310 8.310 8.125 0.185 26068 4782 1 10 . 1 1 68 68 ASN N N 68 127.190 127.190 121.902 5.288 26068 4783 1 10 . 1 1 68 68 ASN CA C 68 49.840 49.840 51.611 -1.770 26068 4784 1 10 . 1 1 68 68 ASN H H 68 8.750 8.750 8.838 -0.088 26068 4785 1 10 . 1 1 70 70 LYS N N 70 128.540 128.540 118.075 10.465 26068 4786 1 10 . 1 1 70 70 LYS HA H 70 4.530 4.530 4.540 -0.010 26068 4787 1 10 . 1 1 70 70 LYS CA C 70 57.270 57.270 56.200 1.070 26068 4788 1 10 . 1 1 70 70 LYS H H 70 8.870 8.870 8.810 0.060 26068 4789 1 10 . 1 1 71 71 THR C C 71 174.770 174.770 173.774 0.996 26068 4790 1 10 . 1 1 71 71 THR CA C 71 60.650 60.650 60.481 0.169 26068 4791 1 10 . 1 1 72 72 LYS N N 72 116.540 116.540 122.228 -5.688 26068 4792 1 10 . 1 1 72 72 LYS C C 72 174.500 174.500 175.825 -1.325 26068 4793 1 10 . 1 1 72 72 LYS CA C 72 56.710 56.710 56.221 0.489 26068 4794 1 10 . 1 1 72 72 LYS H H 72 8.450 8.450 8.604 -0.154 26068 4795 1 10 . 1 1 73 73 GLN N N 73 117.620 117.620 119.231 -1.611 26068 4796 1 10 . 1 1 73 73 GLN HA H 73 4.200 4.200 4.520 -0.320 26068 4797 1 10 . 1 1 73 73 GLN C C 73 174.700 174.700 174.545 0.155 26068 4798 1 10 . 1 1 73 73 GLN CA C 73 54.250 54.250 54.508 -0.258 26068 4799 1 10 . 1 1 73 73 GLN H H 73 7.600 7.600 7.614 -0.014 26068 4800 1 10 . 1 1 74 74 LYS N N 74 122.530 122.530 124.729 -2.199 26068 4801 1 10 . 1 1 74 74 LYS C C 74 175.840 175.840 175.689 0.151 26068 4802 1 10 . 1 1 74 74 LYS CA C 74 55.900 55.900 55.925 -0.025 26068 4803 1 10 . 1 1 74 74 LYS H H 74 8.500 8.500 8.465 0.035 26068 4804 1 10 . 1 1 75 75 ILE N N 75 121.120 121.120 122.990 -1.870 26068 4805 1 10 . 1 1 75 75 ILE HA H 75 4.440 4.440 4.397 0.043 26068 4806 1 10 . 1 1 75 75 ILE C C 75 174.000 174.000 174.953 -0.953 26068 4807 1 10 . 1 1 75 75 ILE CA C 75 58.750 58.750 59.248 -0.498 26068 4808 1 10 . 1 1 75 75 ILE H H 75 8.480 8.480 8.658 -0.178 26068 4809 1 10 . 1 1 76 76 GLN N N 76 123.280 123.280 126.016 -2.736 26068 4810 1 10 . 1 1 76 76 GLN C C 76 174.000 174.000 175.234 -1.234 26068 4811 1 10 . 1 1 76 76 GLN CA C 76 54.220 54.220 54.553 -0.333 26068 4812 1 10 . 1 1 76 76 GLN H H 76 8.510 8.510 8.491 0.019 26068 4813 1 10 . 1 1 77 77 ILE N N 77 115.590 115.590 126.132 -10.542 26068 4814 1 10 . 1 1 77 77 ILE CA C 77 60.710 60.710 58.172 2.538 26068 4815 1 10 . 1 1 77 77 ILE H H 77 8.420 8.420 8.481 -0.061 26068 4816 1 10 . 1 1 78 78 PRO C C 78 176.070 176.070 175.808 0.262 26068 4817 1 10 . 1 1 79 79 ALA N N 79 123.150 123.150 122.397 0.753 26068 4818 1 10 . 1 1 79 79 ALA HA H 79 3.990 3.990 4.514 -0.524 26068 4819 1 10 . 1 1 79 79 ALA C C 79 176.740 176.740 177.454 -0.714 26068 4820 1 10 . 1 1 79 79 ALA CA C 79 51.670 51.670 51.952 -0.282 26068 4821 1 10 . 1 1 79 79 ALA CB C 79 18.710 18.710 19.746 -1.036 26068 4822 1 10 . 1 1 79 79 ALA H H 79 8.490 8.490 8.203 0.287 26068 4823 1 10 . 1 1 80 80 GLY N N 80 109.540 109.540 105.850 3.690 26068 4824 1 10 . 1 1 80 80 GLY C C 80 172.350 172.350 171.955 0.395 26068 4825 1 10 . 1 1 80 80 GLY CA C 80 43.650 43.650 44.396 -0.746 26068 4826 1 10 . 1 1 80 80 GLY H H 80 7.960 7.960 8.388 -0.428 26068 4827 1 10 . 1 1 81 81 LYS N N 81 120.310 120.310 117.667 2.643 26068 4828 1 10 . 1 1 81 81 LYS C C 81 174.920 174.920 175.234 -0.314 26068 4829 1 10 . 1 1 81 81 LYS CA C 81 54.330 54.330 55.089 -0.758 26068 4830 1 10 . 1 1 81 81 LYS H H 81 8.330 8.330 8.273 0.057 26068 4831 1 10 . 1 1 82 82 LYS N N 82 121.710 121.710 122.551 -0.841 26068 4832 1 10 . 1 1 82 82 LYS HA H 82 4.670 4.670 4.756 -0.086 26068 4833 1 10 . 1 1 82 82 LYS C C 82 173.360 173.360 174.820 -1.460 26068 4834 1 10 . 1 1 82 82 LYS CA C 82 53.910 53.910 54.805 -0.895 26068 4835 1 10 . 1 1 82 82 LYS CB C 82 35.200 35.200 36.541 -1.341 26068 4836 1 10 . 1 1 82 82 LYS H H 82 8.970 8.970 8.448 0.522 26068 4837 1 10 . 1 1 83 83 ILE N N 83 123.310 123.310 120.011 3.299 26068 4838 1 10 . 1 1 83 83 ILE HA H 83 4.700 4.700 5.098 -0.398 26068 4839 1 10 . 1 1 83 83 ILE C C 83 173.820 173.820 175.561 -1.741 26068 4840 1 10 . 1 1 83 83 ILE CA C 83 60.200 60.200 59.898 0.302 26068 4841 1 10 . 1 1 83 83 ILE CB C 83 37.960 37.960 40.422 -2.462 26068 4842 1 10 . 1 1 83 83 ILE H H 83 8.470 8.470 8.332 0.138 26068 4843 1 10 . 1 1 84 84 LYS N N 84 127.190 127.190 125.216 1.974 26068 4844 1 10 . 1 1 84 84 LYS HA H 84 4.700 4.700 4.695 0.005 26068 4845 1 10 . 1 1 84 84 LYS C C 84 173.770 173.770 174.057 -0.287 26068 4846 1 10 . 1 1 84 84 LYS CA C 84 53.260 53.260 54.924 -1.664 26068 4847 1 10 . 1 1 84 84 LYS CB C 84 35.070 35.070 36.875 -1.805 26068 4848 1 10 . 1 1 84 84 LYS H H 84 9.160 9.160 8.952 0.208 26068 4849 1 10 . 1 1 85 85 LEU N N 85 125.120 125.120 126.311 -1.191 26068 4850 1 10 . 1 1 85 85 LEU HA H 85 4.690 4.690 4.278 0.412 26068 4851 1 10 . 1 1 85 85 LEU C C 85 175.520 175.520 176.247 -0.727 26068 4852 1 10 . 1 1 85 85 LEU CA C 85 52.080 52.080 54.367 -2.287 26068 4853 1 10 . 1 1 85 85 LEU CB C 85 43.670 43.670 43.177 0.493 26068 4854 1 10 . 1 1 85 85 LEU H H 85 8.620 8.620 8.547 0.073 26068 4855 1 10 . 1 1 86 86 THR N N 86 124.610 124.610 120.364 4.246 26068 4856 1 10 . 1 1 86 86 THR HA H 86 4.550 4.550 4.487 0.063 26068 4857 1 10 . 1 1 86 86 THR C C 86 174.770 174.770 172.929 1.841 26068 4858 1 10 . 1 1 86 86 THR CA C 86 60.440 60.440 60.873 -0.433 26068 4859 1 10 . 1 1 86 86 THR CB C 86 68.040 68.040 70.183 -2.143 26068 4860 1 10 . 1 1 86 86 THR H H 86 8.770 8.770 8.597 0.173 26068 4861 1 10 . 1 1 87 87 VAL C C 87 174.810 174.810 175.638 -0.828 26068 4862 1 10 . 1 1 87 87 VAL CA C 87 63.170 63.170 60.619 2.551 26068 4863 1 10 . 1 1 88 88 SER N N 88 122.640 122.640 120.861 1.779 26068 4864 1 10 . 1 1 88 88 SER HA H 88 4.470 4.470 4.535 -0.065 26068 4865 1 10 . 1 1 88 88 SER CA C 88 56.790 56.790 58.018 -1.228 26068 4866 1 10 . 1 1 88 88 SER H H 88 8.330 8.330 8.508 -0.178 26068 4867 1 10 . 1 1 89 89 LYS C C 89 176.560 176.560 178.807 -2.247 26068 4868 1 10 . 1 1 90 90 ILE N N 90 117.640 117.640 119.820 -2.180 26068 4869 1 10 . 1 1 90 90 ILE HA H 90 3.700 3.700 3.867 -0.167 26068 4870 1 10 . 1 1 90 90 ILE C C 90 178.250 178.250 176.736 1.514 26068 4871 1 10 . 1 1 90 90 ILE CA C 90 63.200 63.200 63.200 0.000 26068 4872 1 10 . 1 1 90 90 ILE CB C 90 36.230 36.230 37.601 -1.371 26068 4873 1 10 . 1 1 90 90 ILE H H 90 7.930 7.930 7.957 -0.027 26068 4874 1 10 . 1 1 91 91 LEU N N 91 121.350 121.350 117.244 4.106 26068 4875 1 10 . 1 1 91 91 LEU HA H 91 4.210 4.210 4.413 -0.203 26068 4876 1 10 . 1 1 91 91 LEU C C 91 177.410 177.410 176.355 1.055 26068 4877 1 10 . 1 1 91 91 LEU CA C 91 56.750 56.750 55.423 1.327 26068 4878 1 10 . 1 1 91 91 LEU CB C 91 39.561 39.561 42.943 -3.382 26068 4879 1 10 . 1 1 91 91 LEU H H 91 7.380 7.380 7.484 -0.104 26068 4880 1 10 . 1 1 92 92 THR N N 92 113.940 113.940 113.432 0.508 26068 4881 1 10 . 1 1 92 92 THR HA H 92 3.670 3.670 4.609 -0.939 26068 4882 1 10 . 1 1 92 92 THR C C 92 176.170 176.170 173.232 2.938 26068 4883 1 10 . 1 1 92 92 THR CA C 92 66.150 66.150 61.771 4.379 26068 4884 1 10 . 1 1 92 92 THR CB C 92 66.950 66.950 68.656 -1.706 26068 4885 1 10 . 1 1 92 92 THR H H 92 7.780 7.780 7.818 -0.038 26068 4886 1 10 . 1 1 93 93 ASP N N 93 121.580 121.580 120.846 0.734 26068 4887 1 10 . 1 1 93 93 ASP HA H 93 4.360 4.360 4.932 -0.572 26068 4888 1 10 . 1 1 93 93 ASP C C 93 178.020 178.020 175.729 2.291 26068 4889 1 10 . 1 1 93 93 ASP CA C 93 56.140 56.140 53.908 2.232 26068 4890 1 10 . 1 1 93 93 ASP CB C 93 38.730 38.730 43.127 -4.397 26068 4891 1 10 . 1 1 93 93 ASP H H 93 8.790 8.790 7.568 1.222 26068 4892 1 10 . 1 1 94 94 ALA N N 94 124.610 124.610 126.706 -2.096 26068 4893 1 10 . 1 1 94 94 ALA HA H 94 4.130 4.130 3.899 0.231 26068 4894 1 10 . 1 1 94 94 ALA C C 94 180.080 180.080 175.364 4.716 26068 4895 1 10 . 1 1 94 94 ALA CA C 94 54.120 54.120 54.203 -0.083 26068 4896 1 10 . 1 1 94 94 ALA CB C 94 17.110 17.110 18.184 -1.074 26068 4897 1 10 . 1 1 94 94 ALA H H 94 8.050 8.050 8.653 -0.603 26068 4898 1 10 . 1 1 95 95 VAL N N 95 119.040 119.040 115.732 3.308 26068 4899 1 10 . 1 1 95 95 VAL HA H 95 3.650 3.650 4.316 -0.666 26068 4900 1 10 . 1 1 95 95 VAL C C 95 177.260 177.260 174.293 2.967 26068 4901 1 10 . 1 1 95 95 VAL CA C 95 65.350 65.350 60.254 5.096 26068 4902 1 10 . 1 1 95 95 VAL CB C 95 30.640 30.640 33.268 -2.628 26068 4903 1 10 . 1 1 95 95 VAL H H 95 8.110 8.110 7.826 0.284 26068 4904 1 10 . 1 1 96 96 ASP N N 96 119.550 119.550 121.254 -1.704 26068 4905 1 10 . 1 1 96 96 ASP HA H 96 4.460 4.460 4.379 0.081 26068 4906 1 10 . 1 1 96 96 ASP C C 96 176.710 176.710 177.380 -0.670 26068 4907 1 10 . 1 1 96 96 ASP CA C 96 55.790 55.790 56.450 -0.660 26068 4908 1 10 . 1 1 96 96 ASP CB C 96 40.140 40.140 39.719 0.421 26068 4909 1 10 . 1 1 96 96 ASP H H 96 7.970 7.970 8.416 -0.446 26068 4910 1 10 . 1 1 97 97 SER N N 97 112.600 112.600 118.786 -6.186 26068 4911 1 10 . 1 1 97 97 SER HA H 97 4.420 4.420 4.258 0.162 26068 4912 1 10 . 1 1 97 97 SER CA C 97 58.290 58.290 60.994 -2.704 26068 4913 1 10 . 1 1 97 97 SER CB C 97 62.720 62.720 63.936 -1.216 26068 4914 1 10 . 1 1 97 97 SER H H 97 7.870 7.870 8.423 -0.553 26068 4915 1 10 . 1 1 98 98 HIS N N 98 122.580 122.580 118.449 4.131 26068 4916 1 10 . 1 1 98 98 HIS HA H 98 4.090 4.090 4.769 -0.679 26068 4917 1 10 . 1 1 98 98 HIS C C 98 173.400 173.400 172.899 0.501 26068 4918 1 10 . 1 1 98 98 HIS CA C 98 57.400 57.400 55.308 2.092 26068 4919 1 10 . 1 1 98 98 HIS CB C 98 29.810 29.810 29.727 0.083 26068 4920 1 10 . 1 1 98 98 HIS H H 98 7.340 7.340 7.602 -0.262 26068 4921 1 11 . 1 1 2 2 ALA N N 2 125.690 125.690 126.525 -0.835 26068 4922 1 11 . 1 1 2 2 ALA C C 2 176.530 176.530 176.876 -0.346 26068 4923 1 11 . 1 1 2 2 ALA CA C 2 51.730 51.730 52.015 -0.285 26068 4924 1 11 . 1 1 2 2 ALA H H 2 8.250 8.250 8.509 -0.259 26068 4925 1 11 . 1 1 3 3 LYS N N 3 121.040 121.040 123.425 -2.385 26068 4926 1 11 . 1 1 3 3 LYS C C 3 175.520 175.520 175.725 -0.205 26068 4927 1 11 . 1 1 3 3 LYS CA C 3 55.230 55.230 55.718 -0.488 26068 4928 1 11 . 1 1 3 3 LYS H H 3 8.210 8.210 8.397 -0.187 26068 4929 1 11 . 1 1 4 4 ILE N N 4 122.490 122.490 123.139 -0.649 26068 4930 1 11 . 1 1 4 4 ILE HA H 4 4.180 4.180 4.162 0.018 26068 4931 1 11 . 1 1 4 4 ILE C C 4 174.950 174.950 176.473 -1.523 26068 4932 1 11 . 1 1 4 4 ILE CA C 4 59.870 59.870 60.892 -1.022 26068 4933 1 11 . 1 1 4 4 ILE H H 4 8.170 8.170 8.398 -0.228 26068 4934 1 11 . 1 1 5 5 LYS N N 5 126.600 126.600 126.594 0.006 26068 4935 1 11 . 1 1 5 5 LYS C C 5 174.330 174.330 175.860 -1.530 26068 4936 1 11 . 1 1 5 5 LYS CA C 5 55.060 55.060 56.481 -1.421 26068 4937 1 11 . 1 1 5 5 LYS H H 5 8.320 8.320 8.545 -0.225 26068 4938 1 11 . 1 1 6 6 SER N N 6 118.400 118.400 119.601 -1.201 26068 4939 1 11 . 1 1 6 6 SER C C 6 174.220 174.220 173.319 0.901 26068 4940 1 11 . 1 1 6 6 SER CA C 6 56.300 56.300 57.639 -1.339 26068 4941 1 11 . 1 1 6 6 SER H H 6 8.200 8.200 8.518 -0.318 26068 4942 1 11 . 1 1 7 7 LEU N N 7 125.400 125.400 121.670 3.730 26068 4943 1 11 . 1 1 7 7 LEU C C 7 177.730 177.730 175.505 2.225 26068 4944 1 11 . 1 1 7 7 LEU CA C 7 54.950 54.950 54.455 0.495 26068 4945 1 11 . 1 1 7 7 LEU CB C 7 42.000 42.000 43.233 -1.233 26068 4946 1 11 . 1 1 7 7 LEU H H 7 9.050 9.050 8.304 0.746 26068 4947 1 11 . 1 1 8 8 SER N N 8 124.870 124.870 114.942 9.928 26068 4948 1 11 . 1 1 8 8 SER HA H 8 4.510 4.510 4.551 -0.041 26068 4949 1 11 . 1 1 8 8 SER C C 8 173.810 173.810 175.655 -1.845 26068 4950 1 11 . 1 1 8 8 SER CA C 8 56.740 56.740 58.053 -1.313 26068 4951 1 11 . 1 1 8 8 SER CB C 8 64.390 64.390 64.100 0.290 26068 4952 1 11 . 1 1 8 8 SER H H 8 9.140 9.140 8.024 1.116 26068 4953 1 11 . 1 1 9 9 ALA N N 9 124.340 124.340 124.743 -0.403 26068 4954 1 11 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.261 0.139 26068 4955 1 11 . 1 1 9 9 ALA C C 9 178.940 178.940 179.455 -0.515 26068 4956 1 11 . 1 1 9 9 ALA CA C 9 54.940 54.940 54.257 0.683 26068 4957 1 11 . 1 1 9 9 ALA H H 9 8.710 8.710 8.616 0.094 26068 4958 1 11 . 1 1 10 10 ALA N N 10 117.990 117.990 121.771 -3.781 26068 4959 1 11 . 1 1 10 10 ALA C C 10 180.600 180.600 179.656 0.944 26068 4960 1 11 . 1 1 10 10 ALA CA C 10 54.380 54.380 54.733 -0.353 26068 4961 1 11 . 1 1 10 10 ALA CB C 10 17.240 17.240 18.364 -1.124 26068 4962 1 11 . 1 1 10 10 ALA H H 10 8.380 8.380 8.407 -0.027 26068 4963 1 11 . 1 1 11 11 GLU N N 11 118.900 118.900 117.906 0.994 26068 4964 1 11 . 1 1 11 11 GLU HA H 11 4.040 4.040 4.198 -0.158 26068 4965 1 11 . 1 1 11 11 GLU C C 11 177.770 177.770 177.984 -0.214 26068 4966 1 11 . 1 1 11 11 GLU CA C 11 58.210 58.210 57.912 0.298 26068 4967 1 11 . 1 1 11 11 GLU CB C 11 29.310 29.310 29.537 -0.227 26068 4968 1 11 . 1 1 11 11 GLU H H 11 7.780 7.780 7.899 -0.119 26068 4969 1 11 . 1 1 12 12 TYR N N 12 125.590 125.590 118.857 6.733 26068 4970 1 11 . 1 1 12 12 TYR C C 12 179.280 179.280 176.147 3.133 26068 4971 1 11 . 1 1 12 12 TYR CA C 12 59.690 59.690 59.761 -0.071 26068 4972 1 11 . 1 1 12 12 TYR CB C 12 37.530 37.530 39.446 -1.916 26068 4973 1 11 . 1 1 12 12 TYR H H 12 8.800 8.800 7.577 1.223 26068 4974 1 11 . 1 1 13 13 LEU N N 13 118.240 118.240 117.409 0.831 26068 4975 1 11 . 1 1 13 13 LEU HA H 13 4.130 4.130 3.905 0.225 26068 4976 1 11 . 1 1 13 13 LEU C C 13 177.790 177.790 177.007 0.783 26068 4977 1 11 . 1 1 13 13 LEU CA C 13 58.180 58.180 56.171 2.009 26068 4978 1 11 . 1 1 13 13 LEU CB C 13 41.290 41.290 41.577 -0.286 26068 4979 1 11 . 1 1 13 13 LEU H H 13 8.770 8.770 7.573 1.197 26068 4980 1 11 . 1 1 14 14 LYS N N 14 118.870 118.870 115.602 3.268 26068 4981 1 11 . 1 1 14 14 LYS HA H 14 3.980 3.980 4.077 -0.097 26068 4982 1 11 . 1 1 14 14 LYS C C 14 177.090 177.090 178.044 -0.954 26068 4983 1 11 . 1 1 14 14 LYS CA C 14 58.610 58.610 58.048 0.562 26068 4984 1 11 . 1 1 14 14 LYS CB C 14 31.220 31.220 32.128 -0.908 26068 4985 1 11 . 1 1 14 14 LYS H H 14 7.790 7.790 7.658 0.132 26068 4986 1 11 . 1 1 15 15 GLU N N 15 119.560 119.560 120.784 -1.224 26068 4987 1 11 . 1 1 15 15 GLU HA H 15 4.050 4.050 4.206 -0.156 26068 4988 1 11 . 1 1 15 15 GLU C C 15 179.660 179.660 178.804 0.856 26068 4989 1 11 . 1 1 15 15 GLU CA C 15 59.260 59.260 57.771 1.489 26068 4990 1 11 . 1 1 15 15 GLU CB C 15 28.010 28.010 29.627 -1.617 26068 4991 1 11 . 1 1 15 15 GLU H H 15 8.330 8.330 7.636 0.694 26068 4992 1 11 . 1 1 16 16 MET N N 16 116.760 116.760 119.420 -2.660 26068 4993 1 11 . 1 1 16 16 MET HA H 16 4.420 4.420 4.168 0.252 26068 4994 1 11 . 1 1 16 16 MET C C 16 178.960 178.960 175.853 3.107 26068 4995 1 11 . 1 1 16 16 MET CA C 16 58.200 58.200 55.511 2.688 26068 4996 1 11 . 1 1 16 16 MET CB C 16 34.370 34.370 31.644 2.726 26068 4997 1 11 . 1 1 16 16 MET H H 16 7.940 7.940 7.514 0.426 26068 4998 1 11 . 1 1 17 17 ALA N N 17 128.000 128.000 121.017 6.983 26068 4999 1 11 . 1 1 17 17 ALA HA H 17 4.210 4.210 4.239 -0.029 26068 5000 1 11 . 1 1 17 17 ALA C C 17 179.620 179.620 177.615 2.005 26068 5001 1 11 . 1 1 17 17 ALA CA C 17 54.760 54.760 53.264 1.496 26068 5002 1 11 . 1 1 17 17 ALA CB C 17 17.750 17.750 18.666 -0.916 26068 5003 1 11 . 1 1 17 17 ALA H H 17 8.820 8.820 7.309 1.511 26068 5004 1 11 . 1 1 18 18 ASP N N 18 119.660 119.660 116.620 3.040 26068 5005 1 11 . 1 1 18 18 ASP HA H 18 4.420 4.420 4.520 -0.100 26068 5006 1 11 . 1 1 18 18 ASP C C 18 177.750 177.750 177.184 0.566 26068 5007 1 11 . 1 1 18 18 ASP CA C 18 55.790 55.790 55.675 0.115 26068 5008 1 11 . 1 1 18 18 ASP CB C 18 38.980 38.980 41.335 -2.355 26068 5009 1 11 . 1 1 18 18 ASP H H 18 8.770 8.770 8.104 0.666 26068 5010 1 11 . 1 1 19 19 GLU N N 19 117.150 117.150 118.510 -1.360 26068 5011 1 11 . 1 1 19 19 GLU HA H 19 4.190 4.190 4.276 -0.086 26068 5012 1 11 . 1 1 19 19 GLU C C 19 177.540 177.540 176.281 1.259 26068 5013 1 11 . 1 1 19 19 GLU CA C 19 57.750 57.750 56.655 1.095 26068 5014 1 11 . 1 1 19 19 GLU CB C 19 29.360 29.360 29.586 -0.226 26068 5015 1 11 . 1 1 19 19 GLU H H 19 7.620 7.620 8.569 -0.949 26068 5016 1 11 . 1 1 20 20 THR N N 20 105.730 105.730 112.911 -7.181 26068 5017 1 11 . 1 1 20 20 THR HA H 20 4.120 4.120 4.629 -0.509 26068 5018 1 11 . 1 1 20 20 THR C C 20 174.800 174.800 173.668 1.132 26068 5019 1 11 . 1 1 20 20 THR CA C 20 62.200 62.200 60.978 1.222 26068 5020 1 11 . 1 1 20 20 THR CB C 20 70.870 70.870 68.258 2.612 26068 5021 1 11 . 1 1 20 20 THR H H 20 7.900 7.900 7.417 0.483 26068 5022 1 11 . 1 1 21 21 ASN N N 21 116.950 116.950 123.971 -7.021 26068 5023 1 11 . 1 1 21 21 ASN HA H 21 4.390 4.390 4.832 -0.442 26068 5024 1 11 . 1 1 21 21 ASN C C 21 173.060 173.060 175.812 -2.752 26068 5025 1 11 . 1 1 21 21 ASN CA C 21 54.210 54.210 53.997 0.213 26068 5026 1 11 . 1 1 21 21 ASN CB C 21 36.870 36.870 39.257 -2.387 26068 5027 1 11 . 1 1 21 21 ASN H H 21 8.460 8.460 8.647 -0.187 26068 5028 1 11 . 1 1 22 22 ILE N N 22 121.830 121.830 119.099 2.731 26068 5029 1 11 . 1 1 22 22 ILE HA H 22 4.140 4.140 4.124 0.016 26068 5030 1 11 . 1 1 22 22 ILE C C 22 174.780 174.780 175.935 -1.155 26068 5031 1 11 . 1 1 22 22 ILE CA C 22 59.100 59.100 62.153 -3.053 26068 5032 1 11 . 1 1 22 22 ILE CB C 22 37.060 37.060 38.597 -1.537 26068 5033 1 11 . 1 1 22 22 ILE H H 22 7.680 7.680 8.346 -0.666 26068 5034 1 11 . 1 1 23 23 LYS N N 23 124.750 124.750 118.259 6.491 26068 5035 1 11 . 1 1 23 23 LYS HA H 23 4.140 4.140 4.503 -0.363 26068 5036 1 11 . 1 1 23 23 LYS C C 23 178.550 178.550 174.228 4.322 26068 5037 1 11 . 1 1 23 23 LYS CA C 23 55.940 55.940 55.495 0.445 26068 5038 1 11 . 1 1 23 23 LYS CB C 23 31.670 31.670 35.445 -3.775 26068 5039 1 11 . 1 1 23 23 LYS H H 23 8.510 8.510 7.242 1.268 26068 5040 1 11 . 1 1 24 24 VAL N N 24 122.570 122.570 117.998 4.572 26068 5041 1 11 . 1 1 24 24 VAL C C 24 176.350 176.350 176.638 -0.288 26068 5042 1 11 . 1 1 24 24 VAL CA C 24 66.090 66.090 64.179 1.911 26068 5043 1 11 . 1 1 24 24 VAL CB C 24 30.640 30.640 33.771 -3.131 26068 5044 1 11 . 1 1 24 24 VAL H H 24 8.800 8.800 8.700 0.100 26068 5045 1 11 . 1 1 25 25 GLN N N 25 117.730 117.730 120.615 -2.885 26068 5046 1 11 . 1 1 25 25 GLN C C 25 177.420 177.420 177.802 -0.382 26068 5047 1 11 . 1 1 25 25 GLN CA C 25 58.500 58.500 58.705 -0.205 26068 5048 1 11 . 1 1 25 25 GLN CB C 25 26.800 26.800 27.608 -0.808 26068 5049 1 11 . 1 1 25 25 GLN H H 25 8.950 8.950 8.725 0.225 26068 5050 1 11 . 1 1 26 26 ASP N N 26 120.360 120.360 118.501 1.859 26068 5051 1 11 . 1 1 26 26 ASP HA H 26 4.610 4.610 4.633 -0.023 26068 5052 1 11 . 1 1 26 26 ASP C C 26 177.320 177.320 177.668 -0.348 26068 5053 1 11 . 1 1 26 26 ASP CA C 26 55.980 55.980 56.212 -0.232 26068 5054 1 11 . 1 1 26 26 ASP CB C 26 39.240 39.240 40.345 -1.105 26068 5055 1 11 . 1 1 26 26 ASP H H 26 7.100 7.100 8.768 -1.668 26068 5056 1 11 . 1 1 27 27 ILE N N 27 120.730 120.730 119.852 0.878 26068 5057 1 11 . 1 1 27 27 ILE C C 27 177.470 177.470 177.759 -0.289 26068 5058 1 11 . 1 1 27 27 ILE CA C 27 65.110 65.110 63.194 1.915 26068 5059 1 11 . 1 1 27 27 ILE CB C 27 35.840 35.840 37.054 -1.214 26068 5060 1 11 . 1 1 27 27 ILE H H 27 7.950 7.950 7.433 0.517 26068 5061 1 11 . 1 1 28 28 ARG N N 28 118.340 118.340 119.825 -1.485 26068 5062 1 11 . 1 1 28 28 ARG C C 28 178.150 178.150 178.780 -0.630 26068 5063 1 11 . 1 1 28 28 ARG CA C 28 59.040 59.040 59.694 -0.654 26068 5064 1 11 . 1 1 28 28 ARG CB C 28 28.910 28.910 29.936 -1.026 26068 5065 1 11 . 1 1 28 28 ARG H H 28 8.640 8.640 7.574 1.066 26068 5066 1 11 . 1 1 29 29 LEU N N 29 119.800 119.800 119.816 -0.016 26068 5067 1 11 . 1 1 29 29 LEU HA H 29 4.050 4.050 4.023 0.027 26068 5068 1 11 . 1 1 29 29 LEU C C 29 178.970 178.970 178.714 0.256 26068 5069 1 11 . 1 1 29 29 LEU CA C 29 57.150 57.150 57.498 -0.348 26068 5070 1 11 . 1 1 29 29 LEU CB C 29 40.840 40.840 41.822 -0.982 26068 5071 1 11 . 1 1 29 29 LEU H H 29 7.340 7.340 7.827 -0.487 26068 5072 1 11 . 1 1 30 30 VAL N N 30 120.200 120.200 119.331 0.869 26068 5073 1 11 . 1 1 30 30 VAL HA H 30 3.410 3.410 3.525 -0.115 26068 5074 1 11 . 1 1 30 30 VAL C C 30 176.580 176.580 178.443 -1.863 26068 5075 1 11 . 1 1 30 30 VAL CA C 30 66.490 66.490 66.411 0.079 26068 5076 1 11 . 1 1 30 30 VAL CB C 30 30.390 30.390 31.324 -0.934 26068 5077 1 11 . 1 1 30 30 VAL H H 30 7.930 7.930 7.607 0.323 26068 5078 1 11 . 1 1 31 31 VAL N N 31 119.110 119.110 117.202 1.908 26068 5079 1 11 . 1 1 31 31 VAL HA H 31 3.210 3.210 3.734 -0.524 26068 5080 1 11 . 1 1 31 31 VAL C C 31 177.750 177.750 178.306 -0.556 26068 5081 1 11 . 1 1 31 31 VAL CA C 31 66.040 66.040 65.785 0.255 26068 5082 1 11 . 1 1 31 31 VAL CB C 31 29.870 29.870 30.847 -0.977 26068 5083 1 11 . 1 1 31 31 VAL H H 31 8.520 8.520 7.955 0.565 26068 5084 1 11 . 1 1 32 32 THR N N 32 118.400 118.400 115.877 2.523 26068 5085 1 11 . 1 1 32 32 THR C C 32 175.680 175.680 177.083 -1.403 26068 5086 1 11 . 1 1 32 32 THR CA C 32 66.440 66.440 66.798 -0.358 26068 5087 1 11 . 1 1 32 32 THR CB C 32 67.470 67.470 68.756 -1.286 26068 5088 1 11 . 1 1 32 32 THR H H 32 8.220 8.220 7.586 0.634 26068 5089 1 11 . 1 1 33 33 SER N N 33 118.470 118.470 118.263 0.207 26068 5090 1 11 . 1 1 33 33 SER HA H 33 4.330 4.330 4.192 0.138 26068 5091 1 11 . 1 1 33 33 SER C C 33 175.560 175.560 176.160 -0.600 26068 5092 1 11 . 1 1 33 33 SER CA C 33 60.860 60.860 62.051 -1.191 26068 5093 1 11 . 1 1 33 33 SER CB C 33 62.720 62.720 62.995 -0.275 26068 5094 1 11 . 1 1 33 33 SER H H 33 7.820 7.820 7.803 0.017 26068 5095 1 11 . 1 1 34 34 LEU N N 34 120.790 120.790 121.650 -0.860 26068 5096 1 11 . 1 1 34 34 LEU C C 34 180.120 180.120 178.911 1.209 26068 5097 1 11 . 1 1 34 34 LEU CA C 34 58.680 58.680 58.068 0.612 26068 5098 1 11 . 1 1 34 34 LEU CB C 34 41.870 41.870 41.688 0.181 26068 5099 1 11 . 1 1 34 34 LEU H H 34 8.940 8.940 7.673 1.267 26068 5100 1 11 . 1 1 35 35 GLN N N 35 117.680 117.680 117.036 0.644 26068 5101 1 11 . 1 1 35 35 GLN HA H 35 3.800 3.800 4.216 -0.416 26068 5102 1 11 . 1 1 35 35 GLN C C 35 176.160 176.160 178.533 -2.373 26068 5103 1 11 . 1 1 35 35 GLN CA C 35 58.910 58.910 57.527 1.383 26068 5104 1 11 . 1 1 35 35 GLN CB C 35 29.040 29.040 28.079 0.961 26068 5105 1 11 . 1 1 35 35 GLN H H 35 7.670 7.670 8.139 -0.469 26068 5106 1 11 . 1 1 36 36 LYS N N 36 124.070 124.070 120.887 3.183 26068 5107 1 11 . 1 1 36 36 LYS HA H 36 4.000 4.000 4.140 -0.140 26068 5108 1 11 . 1 1 36 36 LYS C C 36 178.720 178.720 178.989 -0.269 26068 5109 1 11 . 1 1 36 36 LYS CA C 36 59.100 59.100 59.272 -0.172 26068 5110 1 11 . 1 1 36 36 LYS CB C 36 31.480 31.480 32.279 -0.799 26068 5111 1 11 . 1 1 36 36 LYS H H 36 8.100 8.100 7.460 0.640 26068 5112 1 11 . 1 1 37 37 VAL N N 37 120.470 120.470 119.015 1.455 26068 5113 1 11 . 1 1 37 37 VAL HA H 37 3.420 3.420 3.807 -0.387 26068 5114 1 11 . 1 1 37 37 VAL C C 37 176.250 176.250 177.348 -1.098 26068 5115 1 11 . 1 1 37 37 VAL CA C 37 65.610 65.610 65.347 0.262 26068 5116 1 11 . 1 1 37 37 VAL H H 37 8.560 8.560 7.482 1.078 26068 5117 1 11 . 1 1 38 38 LEU N N 38 119.990 119.990 120.408 -0.418 26068 5118 1 11 . 1 1 38 38 LEU C C 38 176.920 176.920 178.608 -1.688 26068 5119 1 11 . 1 1 38 38 LEU CA C 38 57.720 57.720 57.298 0.422 26068 5120 1 11 . 1 1 38 38 LEU CB C 38 41.040 41.040 41.219 -0.179 26068 5121 1 11 . 1 1 38 38 LEU H H 38 7.120 7.120 7.493 -0.373 26068 5122 1 11 . 1 1 39 39 ALA N N 39 117.870 117.870 120.816 -2.946 26068 5123 1 11 . 1 1 39 39 ALA HA H 39 3.780 3.780 3.893 -0.113 26068 5124 1 11 . 1 1 39 39 ALA C C 39 177.770 177.770 178.725 -0.955 26068 5125 1 11 . 1 1 39 39 ALA CA C 39 53.910 53.910 54.974 -1.063 26068 5126 1 11 . 1 1 39 39 ALA CB C 39 17.370 17.370 18.118 -0.748 26068 5127 1 11 . 1 1 39 39 ALA H H 39 7.540 7.540 7.700 -0.160 26068 5128 1 11 . 1 1 40 40 LYS N N 40 117.340 117.340 117.463 -0.123 26068 5129 1 11 . 1 1 40 40 LYS HA H 40 3.220 3.220 4.215 -0.995 26068 5130 1 11 . 1 1 40 40 LYS C C 40 179.390 179.390 178.609 0.781 26068 5131 1 11 . 1 1 40 40 LYS CA C 40 58.170 58.170 58.526 -0.356 26068 5132 1 11 . 1 1 40 40 LYS CB C 40 29.750 29.750 32.998 -3.248 26068 5133 1 11 . 1 1 40 40 LYS H H 40 7.760 7.760 7.577 0.183 26068 5134 1 11 . 1 1 41 41 GLU N N 41 119.510 119.510 121.418 -1.908 26068 5135 1 11 . 1 1 41 41 GLU HA H 41 3.900 3.900 4.134 -0.234 26068 5136 1 11 . 1 1 41 41 GLU C C 41 179.390 179.390 179.129 0.261 26068 5137 1 11 . 1 1 41 41 GLU CA C 41 57.850 57.850 59.077 -1.227 26068 5138 1 11 . 1 1 41 41 GLU CB C 41 28.720 28.720 29.478 -0.758 26068 5139 1 11 . 1 1 41 41 GLU H H 41 8.810 8.810 7.607 1.203 26068 5140 1 11 . 1 1 42 42 LEU N N 42 120.430 120.430 118.625 1.805 26068 5141 1 11 . 1 1 42 42 LEU HA H 42 3.670 3.670 4.265 -0.595 26068 5142 1 11 . 1 1 42 42 LEU C C 42 176.370 176.370 178.331 -1.961 26068 5143 1 11 . 1 1 42 42 LEU CA C 42 57.650 57.650 56.685 0.965 26068 5144 1 11 . 1 1 42 42 LEU CB C 42 41.040 41.040 41.945 -0.905 26068 5145 1 11 . 1 1 42 42 LEU H H 42 8.200 8.200 8.027 0.173 26068 5146 1 11 . 1 1 43 43 ALA N N 43 117.000 117.000 119.761 -2.761 26068 5147 1 11 . 1 1 43 43 ALA HA H 43 4.030 4.030 4.135 -0.105 26068 5148 1 11 . 1 1 43 43 ALA C C 43 177.510 177.510 178.438 -0.928 26068 5149 1 11 . 1 1 43 43 ALA CA C 43 53.130 53.130 53.876 -0.746 26068 5150 1 11 . 1 1 43 43 ALA CB C 43 19.230 19.230 18.796 0.434 26068 5151 1 11 . 1 1 43 43 ALA H H 43 7.850 7.850 7.888 -0.038 26068 5152 1 11 . 1 1 44 44 THR N N 44 107.520 107.520 108.232 -0.712 26068 5153 1 11 . 1 1 44 44 THR HA H 44 4.370 4.370 4.398 -0.028 26068 5154 1 11 . 1 1 44 44 THR C C 44 174.160 174.160 174.287 -0.127 26068 5155 1 11 . 1 1 44 44 THR CA C 44 61.030 61.030 61.070 -0.040 26068 5156 1 11 . 1 1 44 44 THR CB C 44 69.200 69.200 68.556 0.644 26068 5157 1 11 . 1 1 44 44 THR H H 44 7.570 7.570 7.432 0.138 26068 5158 1 11 . 1 1 45 45 THR N N 45 120.020 120.020 113.056 6.964 26068 5159 1 11 . 1 1 45 45 THR HA H 45 4.170 4.170 3.903 0.267 26068 5160 1 11 . 1 1 45 45 THR C C 45 175.160 175.160 173.647 1.513 26068 5161 1 11 . 1 1 45 45 THR CA C 45 63.160 63.160 63.866 -0.706 26068 5162 1 11 . 1 1 45 45 THR CB C 45 68.750 68.750 67.035 1.714 26068 5163 1 11 . 1 1 45 45 THR H H 45 8.690 8.690 7.441 1.249 26068 5164 1 11 . 1 1 46 46 GLY N N 46 108.110 108.110 107.485 0.625 26068 5165 1 11 . 1 1 46 46 GLY C C 46 171.890 171.890 171.798 0.092 26068 5166 1 11 . 1 1 46 46 GLY CA C 46 44.600 44.600 44.350 0.249 26068 5167 1 11 . 1 1 46 46 GLY H H 46 8.300 8.300 7.939 0.361 26068 5168 1 11 . 1 1 47 47 GLU N N 47 115.320 115.320 121.965 -6.645 26068 5169 1 11 . 1 1 47 47 GLU HA H 47 5.330 5.330 4.754 0.576 26068 5170 1 11 . 1 1 47 47 GLU C C 47 173.280 173.280 175.406 -2.126 26068 5171 1 11 . 1 1 47 47 GLU CA C 47 54.060 54.060 55.154 -1.094 26068 5172 1 11 . 1 1 47 47 GLU CB C 47 32.280 32.280 32.615 -0.335 26068 5173 1 11 . 1 1 47 47 GLU H H 47 7.210 7.210 8.500 -1.290 26068 5174 1 11 . 1 1 48 48 VAL N N 48 118.460 118.460 124.339 -5.879 26068 5175 1 11 . 1 1 48 48 VAL HA H 48 4.450 4.450 4.346 0.104 26068 5176 1 11 . 1 1 48 48 VAL C C 48 171.500 171.500 175.403 -3.903 26068 5177 1 11 . 1 1 48 48 VAL CA C 48 60.080 60.080 60.996 -0.916 26068 5178 1 11 . 1 1 48 48 VAL CB C 48 32.510 32.510 33.978 -1.468 26068 5179 1 11 . 1 1 48 48 VAL H H 48 8.810 8.810 8.523 0.287 26068 5180 1 11 . 1 1 49 49 ARG N N 49 129.960 129.960 125.902 4.058 26068 5181 1 11 . 1 1 49 49 ARG HA H 49 4.700 4.700 4.524 0.176 26068 5182 1 11 . 1 1 49 49 ARG C C 49 173.520 173.520 175.802 -2.282 26068 5183 1 11 . 1 1 49 49 ARG CA C 49 54.960 54.960 54.454 0.506 26068 5184 1 11 . 1 1 49 49 ARG CB C 49 29.170 29.170 30.293 -1.123 26068 5185 1 11 . 1 1 49 49 ARG H H 49 9.510 9.510 8.668 0.842 26068 5186 1 11 . 1 1 50 50 LEU N N 50 129.550 129.550 125.768 3.782 26068 5187 1 11 . 1 1 50 50 LEU HA H 50 4.440 4.440 4.711 -0.271 26068 5188 1 11 . 1 1 50 50 LEU C C 50 171.890 171.890 175.847 -3.957 26068 5189 1 11 . 1 1 50 50 LEU CA C 50 51.100 51.100 53.500 -2.400 26068 5190 1 11 . 1 1 50 50 LEU CB C 50 41.740 41.740 42.998 -1.258 26068 5191 1 11 . 1 1 50 50 LEU H H 50 8.960 8.960 8.965 -0.005 26068 5192 1 11 . 1 1 51 51 PHE N N 51 122.720 122.720 126.167 -3.447 26068 5193 1 11 . 1 1 51 51 PHE HA H 51 3.750 3.750 4.335 -0.585 26068 5194 1 11 . 1 1 51 51 PHE C C 51 173.520 173.520 176.428 -2.908 26068 5195 1 11 . 1 1 51 51 PHE CA C 51 59.750 59.750 60.423 -0.673 26068 5196 1 11 . 1 1 51 51 PHE CB C 51 36.610 36.610 39.688 -3.078 26068 5197 1 11 . 1 1 51 51 PHE H H 51 7.960 7.960 8.780 -0.820 26068 5198 1 11 . 1 1 52 52 ASP N N 52 122.670 122.670 123.262 -0.592 26068 5199 1 11 . 1 1 52 52 ASP HA H 52 5.070 5.070 4.173 0.897 26068 5200 1 11 . 1 1 52 52 ASP C C 52 175.160 175.160 174.991 0.169 26068 5201 1 11 . 1 1 52 52 ASP CA C 52 53.380 53.380 55.464 -2.084 26068 5202 1 11 . 1 1 52 52 ASP CB C 52 39.950 39.950 40.250 -0.300 26068 5203 1 11 . 1 1 52 52 ASP H H 52 8.690 8.690 8.281 0.409 26068 5204 1 11 . 1 1 53 53 ILE N N 53 121.190 121.190 115.825 5.365 26068 5205 1 11 . 1 1 53 53 ILE HA H 53 3.980 3.980 4.235 -0.255 26068 5206 1 11 . 1 1 53 53 ILE C C 53 174.950 174.950 175.133 -0.183 26068 5207 1 11 . 1 1 53 53 ILE CA C 53 63.530 63.530 62.311 1.219 26068 5208 1 11 . 1 1 53 53 ILE CB C 53 37.000 37.000 40.465 -3.466 26068 5209 1 11 . 1 1 53 53 ILE H H 53 8.710 8.710 7.443 1.267 26068 5210 1 11 . 1 1 54 54 GLY N N 54 101.400 101.400 106.238 -4.838 26068 5211 1 11 . 1 1 54 54 GLY C C 54 169.840 169.840 171.736 -1.896 26068 5212 1 11 . 1 1 54 54 GLY CA C 54 43.740 43.740 45.183 -1.443 26068 5213 1 11 . 1 1 54 54 GLY H H 54 6.690 6.690 8.027 -1.337 26068 5214 1 11 . 1 1 55 55 LYS N N 55 119.440 119.440 119.210 0.230 26068 5215 1 11 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.841 0.089 26068 5216 1 11 . 1 1 55 55 LYS C C 55 174.340 174.340 174.459 -0.119 26068 5217 1 11 . 1 1 55 55 LYS CA C 55 54.190 54.190 54.319 -0.129 26068 5218 1 11 . 1 1 55 55 LYS CB C 55 33.660 33.660 36.281 -2.621 26068 5219 1 11 . 1 1 55 55 LYS H H 55 8.110 8.110 8.510 -0.400 26068 5220 1 11 . 1 1 56 56 PHE N N 56 128.540 128.540 118.310 10.230 26068 5221 1 11 . 1 1 56 56 PHE HA H 56 5.170 5.170 5.027 0.143 26068 5222 1 11 . 1 1 56 56 PHE C C 56 174.040 174.040 175.950 -1.910 26068 5223 1 11 . 1 1 56 56 PHE CA C 56 56.140 56.140 57.908 -1.768 26068 5224 1 11 . 1 1 56 56 PHE CB C 56 41.100 41.100 40.660 0.439 26068 5225 1 11 . 1 1 56 56 PHE H H 56 9.420 9.420 7.989 1.431 26068 5226 1 11 . 1 1 57 57 LYS N N 57 120.820 120.820 124.373 -3.553 26068 5227 1 11 . 1 1 57 57 LYS HA H 57 5.030 5.030 4.635 0.395 26068 5228 1 11 . 1 1 57 57 LYS C C 57 173.280 173.280 175.115 -1.835 26068 5229 1 11 . 1 1 57 57 LYS CA C 57 54.190 54.190 55.181 -0.991 26068 5230 1 11 . 1 1 57 57 LYS CB C 57 36.420 36.420 34.291 2.129 26068 5231 1 11 . 1 1 57 57 LYS H H 57 9.060 9.060 9.224 -0.164 26068 5232 1 11 . 1 1 58 58 LEU N N 58 125.690 125.690 127.342 -1.652 26068 5233 1 11 . 1 1 58 58 LEU HA H 58 4.950 4.950 4.513 0.437 26068 5234 1 11 . 1 1 58 58 LEU C C 58 175.180 175.180 176.233 -1.053 26068 5235 1 11 . 1 1 58 58 LEU CA C 58 52.890 52.890 53.533 -0.644 26068 5236 1 11 . 1 1 58 58 LEU CB C 58 42.320 42.320 40.635 1.685 26068 5237 1 11 . 1 1 58 58 LEU H H 58 8.420 8.420 8.765 -0.345 26068 5238 1 11 . 1 1 59 59 VAL N N 59 125.770 125.770 126.361 -0.591 26068 5239 1 11 . 1 1 59 59 VAL HA H 59 4.540 4.540 4.358 0.182 26068 5240 1 11 . 1 1 59 59 VAL C C 59 174.690 174.690 175.133 -0.443 26068 5241 1 11 . 1 1 59 59 VAL CA C 59 59.780 59.780 61.386 -1.605 26068 5242 1 11 . 1 1 59 59 VAL CB C 59 32.950 32.950 32.793 0.157 26068 5243 1 11 . 1 1 59 59 VAL H H 59 9.260 9.260 9.034 0.226 26068 5244 1 11 . 1 1 60 60 THR N N 60 119.180 119.180 121.723 -2.543 26068 5245 1 11 . 1 1 60 60 THR C C 60 174.250 174.250 173.935 0.315 26068 5246 1 11 . 1 1 60 60 THR CA C 60 60.740 60.740 60.425 0.316 26068 5247 1 11 . 1 1 60 60 THR CB C 60 65.260 65.260 70.594 -5.334 26068 5248 1 11 . 1 1 60 60 THR H H 60 8.480 8.480 8.498 -0.018 26068 5249 1 11 . 1 1 61 61 THR N N 61 117.840 117.840 121.837 -3.997 26068 5250 1 11 . 1 1 61 61 THR C C 61 173.550 173.550 174.801 -1.251 26068 5251 1 11 . 1 1 61 61 THR CA C 61 59.290 59.290 60.713 -1.423 26068 5252 1 11 . 1 1 61 61 THR H H 61 8.610 8.610 8.778 -0.168 26068 5253 1 11 . 1 1 62 62 LYS N N 62 122.610 122.610 125.839 -3.229 26068 5254 1 11 . 1 1 62 62 LYS HA H 62 4.480 4.480 4.207 0.273 26068 5255 1 11 . 1 1 62 62 LYS CA C 62 53.750 53.750 55.467 -1.717 26068 5256 1 11 . 1 1 62 62 LYS H H 62 8.380 8.380 8.435 -0.055 26068 5257 1 11 . 1 1 63 63 PRO C C 63 176.780 176.780 176.008 0.772 26068 5258 1 11 . 1 1 64 64 ARG N N 64 116.830 116.830 119.916 -3.086 26068 5259 1 11 . 1 1 64 64 ARG C C 64 177.070 177.070 174.597 2.473 26068 5260 1 11 . 1 1 64 64 ARG CA C 64 57.230 57.230 55.097 2.133 26068 5261 1 11 . 1 1 64 64 ARG H H 64 8.130 8.130 8.817 -0.687 26068 5262 1 11 . 1 1 65 65 THR N N 65 127.240 127.240 115.102 12.138 26068 5263 1 11 . 1 1 65 65 THR C C 65 173.780 173.780 173.657 0.123 26068 5264 1 11 . 1 1 65 65 THR CA C 65 60.680 60.680 60.630 0.050 26068 5265 1 11 . 1 1 65 65 THR H H 65 7.370 7.370 8.395 -1.025 26068 5266 1 11 . 1 1 66 66 GLY N N 66 112.840 112.840 114.984 -2.144 26068 5267 1 11 . 1 1 66 66 GLY C C 66 171.630 171.630 172.338 -0.708 26068 5268 1 11 . 1 1 66 66 GLY CA C 66 43.610 43.610 43.549 0.061 26068 5269 1 11 . 1 1 66 66 GLY H H 66 8.760 8.760 9.014 -0.254 26068 5270 1 11 . 1 1 67 67 ILE N N 67 119.560 119.560 114.605 4.955 26068 5271 1 11 . 1 1 67 67 ILE C C 67 175.110 175.110 174.608 0.502 26068 5272 1 11 . 1 1 67 67 ILE CA C 67 58.220 58.220 59.215 -0.995 26068 5273 1 11 . 1 1 67 67 ILE H H 67 8.310 8.310 8.039 0.271 26068 5274 1 11 . 1 1 68 68 ASN N N 68 127.190 127.190 122.687 4.503 26068 5275 1 11 . 1 1 68 68 ASN CA C 68 49.840 49.840 52.985 -3.145 26068 5276 1 11 . 1 1 68 68 ASN H H 68 8.750 8.750 8.515 0.235 26068 5277 1 11 . 1 1 70 70 LYS N N 70 128.540 128.540 117.440 11.100 26068 5278 1 11 . 1 1 70 70 LYS HA H 70 4.530 4.530 4.446 0.084 26068 5279 1 11 . 1 1 70 70 LYS CA C 70 57.270 57.270 56.760 0.511 26068 5280 1 11 . 1 1 70 70 LYS H H 70 8.870 8.870 8.549 0.321 26068 5281 1 11 . 1 1 71 71 THR C C 71 174.770 174.770 173.147 1.623 26068 5282 1 11 . 1 1 71 71 THR CA C 71 60.650 60.650 60.371 0.279 26068 5283 1 11 . 1 1 72 72 LYS N N 72 116.540 116.540 122.451 -5.911 26068 5284 1 11 . 1 1 72 72 LYS C C 72 174.500 174.500 175.734 -1.234 26068 5285 1 11 . 1 1 72 72 LYS CA C 72 56.710 56.710 56.336 0.374 26068 5286 1 11 . 1 1 72 72 LYS H H 72 8.450 8.450 8.469 -0.019 26068 5287 1 11 . 1 1 73 73 GLN N N 73 117.620 117.620 121.845 -4.225 26068 5288 1 11 . 1 1 73 73 GLN HA H 73 4.200 4.200 4.479 -0.279 26068 5289 1 11 . 1 1 73 73 GLN C C 73 174.700 174.700 174.180 0.520 26068 5290 1 11 . 1 1 73 73 GLN CA C 73 54.250 54.250 55.203 -0.953 26068 5291 1 11 . 1 1 73 73 GLN H H 73 7.600 7.600 8.401 -0.801 26068 5292 1 11 . 1 1 74 74 LYS N N 74 122.530 122.530 124.788 -2.258 26068 5293 1 11 . 1 1 74 74 LYS C C 74 175.840 175.840 176.242 -0.402 26068 5294 1 11 . 1 1 74 74 LYS CA C 74 55.900 55.900 55.876 0.024 26068 5295 1 11 . 1 1 74 74 LYS H H 74 8.500 8.500 8.496 0.004 26068 5296 1 11 . 1 1 75 75 ILE N N 75 121.120 121.120 126.266 -5.146 26068 5297 1 11 . 1 1 75 75 ILE HA H 75 4.440 4.440 4.336 0.104 26068 5298 1 11 . 1 1 75 75 ILE C C 75 174.000 174.000 174.923 -0.923 26068 5299 1 11 . 1 1 75 75 ILE CA C 75 58.750 58.750 58.968 -0.217 26068 5300 1 11 . 1 1 75 75 ILE H H 75 8.480 8.480 8.569 -0.089 26068 5301 1 11 . 1 1 76 76 GLN N N 76 123.280 123.280 125.649 -2.369 26068 5302 1 11 . 1 1 76 76 GLN C C 76 174.000 174.000 175.328 -1.328 26068 5303 1 11 . 1 1 76 76 GLN CA C 76 54.220 54.220 54.687 -0.467 26068 5304 1 11 . 1 1 76 76 GLN H H 76 8.510 8.510 8.600 -0.090 26068 5305 1 11 . 1 1 77 77 ILE N N 77 115.590 115.590 125.871 -10.281 26068 5306 1 11 . 1 1 77 77 ILE CA C 77 60.710 60.710 58.431 2.279 26068 5307 1 11 . 1 1 77 77 ILE H H 77 8.420 8.420 8.759 -0.339 26068 5308 1 11 . 1 1 78 78 PRO C C 78 176.070 176.070 175.837 0.233 26068 5309 1 11 . 1 1 79 79 ALA N N 79 123.150 123.150 122.346 0.804 26068 5310 1 11 . 1 1 79 79 ALA HA H 79 3.990 3.990 4.370 -0.380 26068 5311 1 11 . 1 1 79 79 ALA C C 79 176.740 176.740 177.594 -0.854 26068 5312 1 11 . 1 1 79 79 ALA CA C 79 51.670 51.670 52.006 -0.336 26068 5313 1 11 . 1 1 79 79 ALA CB C 79 18.710 18.710 19.641 -0.931 26068 5314 1 11 . 1 1 79 79 ALA H H 79 8.490 8.490 8.326 0.164 26068 5315 1 11 . 1 1 80 80 GLY N N 80 109.540 109.540 110.121 -0.581 26068 5316 1 11 . 1 1 80 80 GLY C C 80 172.350 172.350 172.214 0.136 26068 5317 1 11 . 1 1 80 80 GLY CA C 80 43.650 43.650 44.541 -0.891 26068 5318 1 11 . 1 1 80 80 GLY H H 80 7.960 7.960 8.246 -0.286 26068 5319 1 11 . 1 1 81 81 LYS N N 81 120.310 120.310 118.819 1.491 26068 5320 1 11 . 1 1 81 81 LYS C C 81 174.920 174.920 174.982 -0.062 26068 5321 1 11 . 1 1 81 81 LYS CA C 81 54.330 54.330 55.114 -0.784 26068 5322 1 11 . 1 1 81 81 LYS H H 81 8.330 8.330 8.189 0.141 26068 5323 1 11 . 1 1 82 82 LYS N N 82 121.710 121.710 121.464 0.246 26068 5324 1 11 . 1 1 82 82 LYS HA H 82 4.670 4.670 4.703 -0.033 26068 5325 1 11 . 1 1 82 82 LYS C C 82 173.360 173.360 174.982 -1.622 26068 5326 1 11 . 1 1 82 82 LYS CA C 82 53.910 53.910 55.208 -1.298 26068 5327 1 11 . 1 1 82 82 LYS CB C 82 35.200 35.200 36.636 -1.436 26068 5328 1 11 . 1 1 82 82 LYS H H 82 8.970 8.970 8.806 0.164 26068 5329 1 11 . 1 1 83 83 ILE N N 83 123.310 123.310 121.512 1.798 26068 5330 1 11 . 1 1 83 83 ILE HA H 83 4.700 4.700 4.361 0.339 26068 5331 1 11 . 1 1 83 83 ILE C C 83 173.820 173.820 176.152 -2.332 26068 5332 1 11 . 1 1 83 83 ILE CA C 83 60.200 60.200 61.178 -0.978 26068 5333 1 11 . 1 1 83 83 ILE CB C 83 37.960 37.960 39.431 -1.471 26068 5334 1 11 . 1 1 83 83 ILE H H 83 8.470 8.470 8.543 -0.073 26068 5335 1 11 . 1 1 84 84 LYS N N 84 127.190 127.190 128.488 -1.298 26068 5336 1 11 . 1 1 84 84 LYS HA H 84 4.700 4.700 4.673 0.027 26068 5337 1 11 . 1 1 84 84 LYS C C 84 173.770 173.770 174.723 -0.953 26068 5338 1 11 . 1 1 84 84 LYS CA C 84 53.260 53.260 54.780 -1.520 26068 5339 1 11 . 1 1 84 84 LYS CB C 84 35.070 35.070 35.936 -0.866 26068 5340 1 11 . 1 1 84 84 LYS H H 84 9.160 9.160 8.776 0.384 26068 5341 1 11 . 1 1 85 85 LEU N N 85 125.120 125.120 128.752 -3.632 26068 5342 1 11 . 1 1 85 85 LEU HA H 85 4.690 4.690 3.939 0.751 26068 5343 1 11 . 1 1 85 85 LEU C C 85 175.520 175.520 175.835 -0.315 26068 5344 1 11 . 1 1 85 85 LEU CA C 85 52.080 52.080 55.730 -3.650 26068 5345 1 11 . 1 1 85 85 LEU CB C 85 43.670 43.670 42.567 1.103 26068 5346 1 11 . 1 1 85 85 LEU H H 85 8.620 8.620 8.659 -0.039 26068 5347 1 11 . 1 1 86 86 THR N N 86 124.610 124.610 120.755 3.855 26068 5348 1 11 . 1 1 86 86 THR HA H 86 4.550 4.550 4.564 -0.014 26068 5349 1 11 . 1 1 86 86 THR C C 86 174.770 174.770 173.882 0.888 26068 5350 1 11 . 1 1 86 86 THR CA C 86 60.440 60.440 60.609 -0.169 26068 5351 1 11 . 1 1 86 86 THR CB C 86 68.040 68.040 69.188 -1.148 26068 5352 1 11 . 1 1 86 86 THR H H 86 8.770 8.770 8.770 -0.000 26068 5353 1 11 . 1 1 87 87 VAL C C 87 174.810 174.810 175.810 -1.000 26068 5354 1 11 . 1 1 87 87 VAL CA C 87 63.170 63.170 62.044 1.126 26068 5355 1 11 . 1 1 88 88 SER N N 88 122.640 122.640 121.477 1.163 26068 5356 1 11 . 1 1 88 88 SER HA H 88 4.470 4.470 4.619 -0.149 26068 5357 1 11 . 1 1 88 88 SER CA C 88 56.790 56.790 57.131 -0.341 26068 5358 1 11 . 1 1 88 88 SER H H 88 8.330 8.330 8.940 -0.610 26068 5359 1 11 . 1 1 89 89 LYS C C 89 176.560 176.560 177.857 -1.297 26068 5360 1 11 . 1 1 90 90 ILE N N 90 117.640 117.640 118.350 -0.710 26068 5361 1 11 . 1 1 90 90 ILE HA H 90 3.700 3.700 3.836 -0.136 26068 5362 1 11 . 1 1 90 90 ILE C C 90 178.250 178.250 176.666 1.584 26068 5363 1 11 . 1 1 90 90 ILE CA C 90 63.200 63.200 63.234 -0.034 26068 5364 1 11 . 1 1 90 90 ILE CB C 90 36.230 36.230 38.112 -1.882 26068 5365 1 11 . 1 1 90 90 ILE H H 90 7.930 7.930 7.817 0.113 26068 5366 1 11 . 1 1 91 91 LEU N N 91 121.350 121.350 115.523 5.827 26068 5367 1 11 . 1 1 91 91 LEU HA H 91 4.210 4.210 4.710 -0.500 26068 5368 1 11 . 1 1 91 91 LEU C C 91 177.410 177.410 175.178 2.232 26068 5369 1 11 . 1 1 91 91 LEU CA C 91 56.750 56.750 55.833 0.917 26068 5370 1 11 . 1 1 91 91 LEU CB C 91 39.561 39.561 45.366 -5.805 26068 5371 1 11 . 1 1 91 91 LEU H H 91 7.380 7.380 7.682 -0.302 26068 5372 1 11 . 1 1 92 92 THR N N 92 113.940 113.940 114.972 -1.032 26068 5373 1 11 . 1 1 92 92 THR HA H 92 3.670 3.670 4.647 -0.977 26068 5374 1 11 . 1 1 92 92 THR C C 92 176.170 176.170 173.314 2.856 26068 5375 1 11 . 1 1 92 92 THR CA C 92 66.150 66.150 62.911 3.239 26068 5376 1 11 . 1 1 92 92 THR CB C 92 66.950 66.950 68.737 -1.787 26068 5377 1 11 . 1 1 92 92 THR H H 92 7.780 7.780 7.464 0.316 26068 5378 1 11 . 1 1 93 93 ASP N N 93 121.580 121.580 121.584 -0.004 26068 5379 1 11 . 1 1 93 93 ASP HA H 93 4.360 4.360 4.692 -0.332 26068 5380 1 11 . 1 1 93 93 ASP C C 93 178.020 178.020 174.736 3.284 26068 5381 1 11 . 1 1 93 93 ASP CA C 93 56.140 56.140 54.117 2.023 26068 5382 1 11 . 1 1 93 93 ASP CB C 93 38.730 38.730 42.331 -3.601 26068 5383 1 11 . 1 1 93 93 ASP H H 93 8.790 8.790 7.658 1.132 26068 5384 1 11 . 1 1 94 94 ALA N N 94 124.610 124.610 126.619 -2.009 26068 5385 1 11 . 1 1 94 94 ALA HA H 94 4.130 4.130 3.916 0.214 26068 5386 1 11 . 1 1 94 94 ALA C C 94 180.080 180.080 176.050 4.030 26068 5387 1 11 . 1 1 94 94 ALA CA C 94 54.120 54.120 53.261 0.859 26068 5388 1 11 . 1 1 94 94 ALA CB C 94 17.110 17.110 18.085 -0.975 26068 5389 1 11 . 1 1 94 94 ALA H H 94 8.050 8.050 8.222 -0.172 26068 5390 1 11 . 1 1 95 95 VAL N N 95 119.040 119.040 116.475 2.565 26068 5391 1 11 . 1 1 95 95 VAL HA H 95 3.650 3.650 4.298 -0.648 26068 5392 1 11 . 1 1 95 95 VAL C C 95 177.260 177.260 175.541 1.719 26068 5393 1 11 . 1 1 95 95 VAL CA C 95 65.350 65.350 61.407 3.943 26068 5394 1 11 . 1 1 95 95 VAL CB C 95 30.640 30.640 35.004 -4.364 26068 5395 1 11 . 1 1 95 95 VAL H H 95 8.110 8.110 7.471 0.639 26068 5396 1 11 . 1 1 96 96 ASP N N 96 119.550 119.550 124.594 -5.044 26068 5397 1 11 . 1 1 96 96 ASP HA H 96 4.460 4.460 4.265 0.195 26068 5398 1 11 . 1 1 96 96 ASP C C 96 176.710 176.710 176.339 0.371 26068 5399 1 11 . 1 1 96 96 ASP CA C 96 55.790 55.790 57.194 -1.404 26068 5400 1 11 . 1 1 96 96 ASP CB C 96 40.140 40.140 40.300 -0.161 26068 5401 1 11 . 1 1 96 96 ASP H H 96 7.970 7.970 8.803 -0.833 26068 5402 1 11 . 1 1 97 97 SER N N 97 112.600 112.600 115.860 -3.260 26068 5403 1 11 . 1 1 97 97 SER HA H 97 4.420 4.420 4.391 0.029 26068 5404 1 11 . 1 1 97 97 SER CA C 97 58.290 58.290 59.693 -1.403 26068 5405 1 11 . 1 1 97 97 SER CB C 97 62.720 62.720 65.389 -2.669 26068 5406 1 11 . 1 1 97 97 SER H H 97 7.870 7.870 8.391 -0.521 26068 5407 1 11 . 1 1 98 98 HIS N N 98 122.580 122.580 121.508 1.072 26068 5408 1 11 . 1 1 98 98 HIS HA H 98 4.090 4.090 4.745 -0.655 26068 5409 1 11 . 1 1 98 98 HIS C C 98 173.400 173.400 172.723 0.677 26068 5410 1 11 . 1 1 98 98 HIS CA C 98 57.400 57.400 56.237 1.163 26068 5411 1 11 . 1 1 98 98 HIS CB C 98 29.810 29.810 31.417 -1.607 26068 5412 1 11 . 1 1 98 98 HIS H H 98 7.340 7.340 7.915 -0.575 26068 5413 1 12 . 1 1 2 2 ALA N N 2 125.690 125.690 128.608 -2.918 26068 5414 1 12 . 1 1 2 2 ALA C C 2 176.530 176.530 176.706 -0.176 26068 5415 1 12 . 1 1 2 2 ALA CA C 2 51.730 51.730 51.660 0.070 26068 5416 1 12 . 1 1 2 2 ALA H H 2 8.250 8.250 8.662 -0.412 26068 5417 1 12 . 1 1 3 3 LYS N N 3 121.040 121.040 122.527 -1.487 26068 5418 1 12 . 1 1 3 3 LYS C C 3 175.520 175.520 176.045 -0.525 26068 5419 1 12 . 1 1 3 3 LYS CA C 3 55.230 55.230 55.662 -0.432 26068 5420 1 12 . 1 1 3 3 LYS H H 3 8.210 8.210 7.868 0.342 26068 5421 1 12 . 1 1 4 4 ILE N N 4 122.490 122.490 122.076 0.414 26068 5422 1 12 . 1 1 4 4 ILE HA H 4 4.180 4.180 4.197 -0.017 26068 5423 1 12 . 1 1 4 4 ILE C C 4 174.950 174.950 176.328 -1.378 26068 5424 1 12 . 1 1 4 4 ILE CA C 4 59.870 59.870 60.438 -0.568 26068 5425 1 12 . 1 1 4 4 ILE H H 4 8.170 8.170 8.380 -0.210 26068 5426 1 12 . 1 1 5 5 LYS N N 5 126.600 126.600 127.781 -1.181 26068 5427 1 12 . 1 1 5 5 LYS C C 5 174.330 174.330 175.824 -1.494 26068 5428 1 12 . 1 1 5 5 LYS CA C 5 55.060 55.060 56.223 -1.163 26068 5429 1 12 . 1 1 5 5 LYS H H 5 8.320 8.320 8.519 -0.199 26068 5430 1 12 . 1 1 6 6 SER N N 6 118.400 118.400 119.936 -1.536 26068 5431 1 12 . 1 1 6 6 SER C C 6 174.220 174.220 173.736 0.484 26068 5432 1 12 . 1 1 6 6 SER CA C 6 56.300 56.300 57.890 -1.590 26068 5433 1 12 . 1 1 6 6 SER H H 6 8.200 8.200 8.598 -0.398 26068 5434 1 12 . 1 1 7 7 LEU N N 7 125.400 125.400 120.218 5.182 26068 5435 1 12 . 1 1 7 7 LEU C C 7 177.730 177.730 175.098 2.632 26068 5436 1 12 . 1 1 7 7 LEU CA C 7 54.950 54.950 54.160 0.790 26068 5437 1 12 . 1 1 7 7 LEU CB C 7 42.000 42.000 44.543 -2.543 26068 5438 1 12 . 1 1 7 7 LEU H H 7 9.050 9.050 8.812 0.238 26068 5439 1 12 . 1 1 8 8 SER N N 8 124.870 124.870 114.561 10.309 26068 5440 1 12 . 1 1 8 8 SER HA H 8 4.510 4.510 4.765 -0.255 26068 5441 1 12 . 1 1 8 8 SER C C 8 173.810 173.810 174.279 -0.469 26068 5442 1 12 . 1 1 8 8 SER CA C 8 56.740 56.740 57.631 -0.891 26068 5443 1 12 . 1 1 8 8 SER CB C 8 64.390 64.390 64.659 -0.269 26068 5444 1 12 . 1 1 8 8 SER H H 8 9.140 9.140 8.378 0.762 26068 5445 1 12 . 1 1 9 9 ALA N N 9 124.340 124.340 124.178 0.162 26068 5446 1 12 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.409 -0.009 26068 5447 1 12 . 1 1 9 9 ALA C C 9 178.940 178.940 178.899 0.041 26068 5448 1 12 . 1 1 9 9 ALA CA C 9 54.940 54.940 54.169 0.770 26068 5449 1 12 . 1 1 9 9 ALA H H 9 8.710 8.710 8.503 0.207 26068 5450 1 12 . 1 1 10 10 ALA N N 10 117.990 117.990 120.625 -2.635 26068 5451 1 12 . 1 1 10 10 ALA C C 10 180.600 180.600 179.517 1.083 26068 5452 1 12 . 1 1 10 10 ALA CA C 10 54.380 54.380 54.483 -0.102 26068 5453 1 12 . 1 1 10 10 ALA CB C 10 17.240 17.240 18.519 -1.279 26068 5454 1 12 . 1 1 10 10 ALA H H 10 8.380 8.380 8.160 0.220 26068 5455 1 12 . 1 1 11 11 GLU N N 11 118.900 118.900 118.673 0.227 26068 5456 1 12 . 1 1 11 11 GLU HA H 11 4.040 4.040 4.168 -0.128 26068 5457 1 12 . 1 1 11 11 GLU C C 11 177.770 177.770 178.037 -0.267 26068 5458 1 12 . 1 1 11 11 GLU CA C 11 58.210 58.210 58.227 -0.017 26068 5459 1 12 . 1 1 11 11 GLU CB C 11 29.310 29.310 29.837 -0.527 26068 5460 1 12 . 1 1 11 11 GLU H H 11 7.780 7.780 7.888 -0.108 26068 5461 1 12 . 1 1 12 12 TYR N N 12 125.590 125.590 119.811 5.779 26068 5462 1 12 . 1 1 12 12 TYR C C 12 179.280 179.280 176.881 2.399 26068 5463 1 12 . 1 1 12 12 TYR CA C 12 59.690 59.690 60.715 -1.024 26068 5464 1 12 . 1 1 12 12 TYR CB C 12 37.530 37.530 38.588 -1.058 26068 5465 1 12 . 1 1 12 12 TYR H H 12 8.800 8.800 7.573 1.227 26068 5466 1 12 . 1 1 13 13 LEU N N 13 118.240 118.240 118.893 -0.653 26068 5467 1 12 . 1 1 13 13 LEU HA H 13 4.130 4.130 3.549 0.581 26068 5468 1 12 . 1 1 13 13 LEU C C 13 177.790 177.790 178.237 -0.447 26068 5469 1 12 . 1 1 13 13 LEU CA C 13 58.180 58.180 57.387 0.793 26068 5470 1 12 . 1 1 13 13 LEU CB C 13 41.290 41.290 41.803 -0.513 26068 5471 1 12 . 1 1 13 13 LEU H H 13 8.770 8.770 7.649 1.121 26068 5472 1 12 . 1 1 14 14 LYS N N 14 118.870 118.870 115.412 3.458 26068 5473 1 12 . 1 1 14 14 LYS HA H 14 3.980 3.980 4.049 -0.069 26068 5474 1 12 . 1 1 14 14 LYS C C 14 177.090 177.090 178.152 -1.062 26068 5475 1 12 . 1 1 14 14 LYS CA C 14 58.610 58.610 58.506 0.104 26068 5476 1 12 . 1 1 14 14 LYS CB C 14 31.220 31.220 31.752 -0.532 26068 5477 1 12 . 1 1 14 14 LYS H H 14 7.790 7.790 7.643 0.147 26068 5478 1 12 . 1 1 15 15 GLU N N 15 119.560 119.560 119.974 -0.414 26068 5479 1 12 . 1 1 15 15 GLU HA H 15 4.050 4.050 4.208 -0.158 26068 5480 1 12 . 1 1 15 15 GLU C C 15 179.660 179.660 177.597 2.063 26068 5481 1 12 . 1 1 15 15 GLU CA C 15 59.260 59.260 58.182 1.077 26068 5482 1 12 . 1 1 15 15 GLU CB C 15 28.010 28.010 29.666 -1.656 26068 5483 1 12 . 1 1 15 15 GLU H H 15 8.330 8.330 7.785 0.545 26068 5484 1 12 . 1 1 16 16 MET N N 16 116.760 116.760 117.784 -1.024 26068 5485 1 12 . 1 1 16 16 MET HA H 16 4.420 4.420 4.423 -0.003 26068 5486 1 12 . 1 1 16 16 MET C C 16 178.960 178.960 177.324 1.636 26068 5487 1 12 . 1 1 16 16 MET CA C 16 58.200 58.200 54.297 3.902 26068 5488 1 12 . 1 1 16 16 MET CB C 16 34.370 34.370 31.424 2.946 26068 5489 1 12 . 1 1 16 16 MET H H 16 7.940 7.940 7.303 0.637 26068 5490 1 12 . 1 1 17 17 ALA N N 17 128.000 128.000 123.544 4.456 26068 5491 1 12 . 1 1 17 17 ALA HA H 17 4.210 4.210 3.872 0.338 26068 5492 1 12 . 1 1 17 17 ALA C C 17 179.620 179.620 179.152 0.468 26068 5493 1 12 . 1 1 17 17 ALA CA C 17 54.760 54.760 55.260 -0.500 26068 5494 1 12 . 1 1 17 17 ALA CB C 17 17.750 17.750 18.076 -0.327 26068 5495 1 12 . 1 1 17 17 ALA H H 17 8.820 8.820 7.599 1.221 26068 5496 1 12 . 1 1 18 18 ASP N N 18 119.660 119.660 117.610 2.050 26068 5497 1 12 . 1 1 18 18 ASP HA H 18 4.420 4.420 4.361 0.059 26068 5498 1 12 . 1 1 18 18 ASP C C 18 177.750 177.750 178.359 -0.609 26068 5499 1 12 . 1 1 18 18 ASP CA C 18 55.790 55.790 56.435 -0.645 26068 5500 1 12 . 1 1 18 18 ASP CB C 18 38.980 38.980 40.915 -1.935 26068 5501 1 12 . 1 1 18 18 ASP H H 18 8.770 8.770 8.218 0.552 26068 5502 1 12 . 1 1 19 19 GLU N N 19 117.150 117.150 118.732 -1.582 26068 5503 1 12 . 1 1 19 19 GLU HA H 19 4.190 4.190 4.189 0.001 26068 5504 1 12 . 1 1 19 19 GLU C C 19 177.540 177.540 178.658 -1.118 26068 5505 1 12 . 1 1 19 19 GLU CA C 19 57.750 57.750 58.626 -0.876 26068 5506 1 12 . 1 1 19 19 GLU CB C 19 29.360 29.360 30.045 -0.685 26068 5507 1 12 . 1 1 19 19 GLU H H 19 7.620 7.620 7.931 -0.311 26068 5508 1 12 . 1 1 20 20 THR N N 20 105.730 105.730 112.135 -6.405 26068 5509 1 12 . 1 1 20 20 THR HA H 20 4.120 4.120 4.238 -0.118 26068 5510 1 12 . 1 1 20 20 THR C C 20 174.800 174.800 174.297 0.503 26068 5511 1 12 . 1 1 20 20 THR CA C 20 62.200 62.200 61.928 0.272 26068 5512 1 12 . 1 1 20 20 THR CB C 20 70.870 70.870 67.458 3.412 26068 5513 1 12 . 1 1 20 20 THR H H 20 7.900 7.900 7.746 0.154 26068 5514 1 12 . 1 1 21 21 ASN N N 21 116.950 116.950 118.513 -1.563 26068 5515 1 12 . 1 1 21 21 ASN HA H 21 4.390 4.390 4.591 -0.201 26068 5516 1 12 . 1 1 21 21 ASN C C 21 173.060 173.060 176.305 -3.245 26068 5517 1 12 . 1 1 21 21 ASN CA C 21 54.210 54.210 54.640 -0.430 26068 5518 1 12 . 1 1 21 21 ASN CB C 21 36.870 36.870 38.408 -1.538 26068 5519 1 12 . 1 1 21 21 ASN H H 21 8.460 8.460 7.932 0.528 26068 5520 1 12 . 1 1 22 22 ILE N N 22 121.830 121.830 118.904 2.926 26068 5521 1 12 . 1 1 22 22 ILE HA H 22 4.140 4.140 3.946 0.194 26068 5522 1 12 . 1 1 22 22 ILE C C 22 174.780 174.780 176.134 -1.354 26068 5523 1 12 . 1 1 22 22 ILE CA C 22 59.100 59.100 62.803 -3.703 26068 5524 1 12 . 1 1 22 22 ILE CB C 22 37.060 37.060 38.542 -1.482 26068 5525 1 12 . 1 1 22 22 ILE H H 22 7.680 7.680 8.299 -0.619 26068 5526 1 12 . 1 1 23 23 LYS N N 23 124.750 124.750 116.094 8.656 26068 5527 1 12 . 1 1 23 23 LYS HA H 23 4.140 4.140 4.386 -0.246 26068 5528 1 12 . 1 1 23 23 LYS C C 23 178.550 178.550 174.007 4.543 26068 5529 1 12 . 1 1 23 23 LYS CA C 23 55.940 55.940 55.823 0.117 26068 5530 1 12 . 1 1 23 23 LYS CB C 23 31.670 31.670 34.917 -3.247 26068 5531 1 12 . 1 1 23 23 LYS H H 23 8.510 8.510 7.252 1.258 26068 5532 1 12 . 1 1 24 24 VAL N N 24 122.570 122.570 118.568 4.002 26068 5533 1 12 . 1 1 24 24 VAL C C 24 176.350 176.350 177.042 -0.692 26068 5534 1 12 . 1 1 24 24 VAL CA C 24 66.090 66.090 64.239 1.851 26068 5535 1 12 . 1 1 24 24 VAL CB C 24 30.640 30.640 33.930 -3.290 26068 5536 1 12 . 1 1 24 24 VAL H H 24 8.800 8.800 8.830 -0.030 26068 5537 1 12 . 1 1 25 25 GLN N N 25 117.730 117.730 119.978 -2.248 26068 5538 1 12 . 1 1 25 25 GLN C C 25 177.420 177.420 177.199 0.221 26068 5539 1 12 . 1 1 25 25 GLN CA C 25 58.500 58.500 58.085 0.415 26068 5540 1 12 . 1 1 25 25 GLN CB C 25 26.800 26.800 28.586 -1.786 26068 5541 1 12 . 1 1 25 25 GLN H H 25 8.950 8.950 8.646 0.304 26068 5542 1 12 . 1 1 26 26 ASP N N 26 120.360 120.360 120.264 0.096 26068 5543 1 12 . 1 1 26 26 ASP HA H 26 4.610 4.610 4.707 -0.097 26068 5544 1 12 . 1 1 26 26 ASP C C 26 177.320 177.320 177.351 -0.031 26068 5545 1 12 . 1 1 26 26 ASP CA C 26 55.980 55.980 56.065 -0.085 26068 5546 1 12 . 1 1 26 26 ASP CB C 26 39.240 39.240 40.660 -1.420 26068 5547 1 12 . 1 1 26 26 ASP H H 26 7.100 7.100 8.707 -1.607 26068 5548 1 12 . 1 1 27 27 ILE N N 27 120.730 120.730 119.544 1.186 26068 5549 1 12 . 1 1 27 27 ILE C C 27 177.470 177.470 177.363 0.107 26068 5550 1 12 . 1 1 27 27 ILE CA C 27 65.110 65.110 62.361 2.749 26068 5551 1 12 . 1 1 27 27 ILE CB C 27 35.840 35.840 37.037 -1.197 26068 5552 1 12 . 1 1 27 27 ILE H H 27 7.950 7.950 7.343 0.607 26068 5553 1 12 . 1 1 28 28 ARG N N 28 118.340 118.340 120.142 -1.802 26068 5554 1 12 . 1 1 28 28 ARG C C 28 178.150 178.150 178.728 -0.578 26068 5555 1 12 . 1 1 28 28 ARG CA C 28 59.040 59.040 59.731 -0.691 26068 5556 1 12 . 1 1 28 28 ARG CB C 28 28.910 28.910 30.011 -1.101 26068 5557 1 12 . 1 1 28 28 ARG H H 28 8.640 8.640 7.712 0.928 26068 5558 1 12 . 1 1 29 29 LEU N N 29 119.800 119.800 119.469 0.331 26068 5559 1 12 . 1 1 29 29 LEU HA H 29 4.050 4.050 4.139 -0.089 26068 5560 1 12 . 1 1 29 29 LEU C C 29 178.970 178.970 178.777 0.193 26068 5561 1 12 . 1 1 29 29 LEU CA C 29 57.150 57.150 57.608 -0.458 26068 5562 1 12 . 1 1 29 29 LEU CB C 29 40.840 40.840 41.718 -0.878 26068 5563 1 12 . 1 1 29 29 LEU H H 29 7.340 7.340 7.641 -0.301 26068 5564 1 12 . 1 1 30 30 VAL N N 30 120.200 120.200 119.543 0.657 26068 5565 1 12 . 1 1 30 30 VAL HA H 30 3.410 3.410 3.757 -0.347 26068 5566 1 12 . 1 1 30 30 VAL C C 30 176.580 176.580 178.656 -2.076 26068 5567 1 12 . 1 1 30 30 VAL CA C 30 66.490 66.490 65.896 0.594 26068 5568 1 12 . 1 1 30 30 VAL CB C 30 30.390 30.390 31.606 -1.216 26068 5569 1 12 . 1 1 30 30 VAL H H 30 7.930 7.930 7.330 0.600 26068 5570 1 12 . 1 1 31 31 VAL N N 31 119.110 119.110 121.014 -1.904 26068 5571 1 12 . 1 1 31 31 VAL HA H 31 3.210 3.210 3.531 -0.321 26068 5572 1 12 . 1 1 31 31 VAL C C 31 177.750 177.750 177.693 0.057 26068 5573 1 12 . 1 1 31 31 VAL CA C 31 66.040 66.040 66.889 -0.849 26068 5574 1 12 . 1 1 31 31 VAL CB C 31 29.870 29.870 31.456 -1.586 26068 5575 1 12 . 1 1 31 31 VAL H H 31 8.520 8.520 8.356 0.164 26068 5576 1 12 . 1 1 32 32 THR N N 32 118.400 118.400 115.175 3.225 26068 5577 1 12 . 1 1 32 32 THR C C 32 175.680 175.680 176.536 -0.856 26068 5578 1 12 . 1 1 32 32 THR CA C 32 66.440 66.440 66.923 -0.483 26068 5579 1 12 . 1 1 32 32 THR CB C 32 67.470 67.470 68.793 -1.323 26068 5580 1 12 . 1 1 32 32 THR H H 32 8.220 8.220 8.090 0.130 26068 5581 1 12 . 1 1 33 33 SER N N 33 118.470 118.470 118.930 -0.460 26068 5582 1 12 . 1 1 33 33 SER HA H 33 4.330 4.330 4.017 0.313 26068 5583 1 12 . 1 1 33 33 SER C C 33 175.560 175.560 176.757 -1.197 26068 5584 1 12 . 1 1 33 33 SER CA C 33 60.860 60.860 62.090 -1.230 26068 5585 1 12 . 1 1 33 33 SER CB C 33 62.720 62.720 62.605 0.115 26068 5586 1 12 . 1 1 33 33 SER H H 33 7.820 7.820 7.993 -0.173 26068 5587 1 12 . 1 1 34 34 LEU N N 34 120.790 120.790 121.093 -0.303 26068 5588 1 12 . 1 1 34 34 LEU C C 34 180.120 180.120 179.284 0.836 26068 5589 1 12 . 1 1 34 34 LEU CA C 34 58.680 58.680 57.441 1.239 26068 5590 1 12 . 1 1 34 34 LEU CB C 34 41.870 41.870 41.420 0.450 26068 5591 1 12 . 1 1 34 34 LEU H H 34 8.940 8.940 7.505 1.435 26068 5592 1 12 . 1 1 35 35 GLN N N 35 117.680 117.680 116.655 1.025 26068 5593 1 12 . 1 1 35 35 GLN HA H 35 3.800 3.800 4.134 -0.334 26068 5594 1 12 . 1 1 35 35 GLN C C 35 176.160 176.160 178.580 -2.420 26068 5595 1 12 . 1 1 35 35 GLN CA C 35 58.910 58.910 57.415 1.495 26068 5596 1 12 . 1 1 35 35 GLN CB C 35 29.040 29.040 28.053 0.987 26068 5597 1 12 . 1 1 35 35 GLN H H 35 7.670 7.670 7.649 0.021 26068 5598 1 12 . 1 1 36 36 LYS N N 36 124.070 124.070 120.475 3.595 26068 5599 1 12 . 1 1 36 36 LYS HA H 36 4.000 4.000 4.022 -0.022 26068 5600 1 12 . 1 1 36 36 LYS C C 36 178.720 178.720 178.738 -0.018 26068 5601 1 12 . 1 1 36 36 LYS CA C 36 59.100 59.100 59.718 -0.618 26068 5602 1 12 . 1 1 36 36 LYS CB C 36 31.480 31.480 32.249 -0.769 26068 5603 1 12 . 1 1 36 36 LYS H H 36 8.100 8.100 8.124 -0.024 26068 5604 1 12 . 1 1 37 37 VAL N N 37 120.470 120.470 118.405 2.065 26068 5605 1 12 . 1 1 37 37 VAL HA H 37 3.420 3.420 3.721 -0.301 26068 5606 1 12 . 1 1 37 37 VAL C C 37 176.250 176.250 177.647 -1.397 26068 5607 1 12 . 1 1 37 37 VAL CA C 37 65.610 65.610 65.778 -0.168 26068 5608 1 12 . 1 1 37 37 VAL H H 37 8.560 8.560 7.562 0.998 26068 5609 1 12 . 1 1 38 38 LEU N N 38 119.990 119.990 120.211 -0.221 26068 5610 1 12 . 1 1 38 38 LEU C C 38 176.920 176.920 178.876 -1.956 26068 5611 1 12 . 1 1 38 38 LEU CA C 38 57.720 57.720 57.790 -0.070 26068 5612 1 12 . 1 1 38 38 LEU CB C 38 41.040 41.040 40.719 0.320 26068 5613 1 12 . 1 1 38 38 LEU H H 38 7.120 7.120 7.307 -0.187 26068 5614 1 12 . 1 1 39 39 ALA N N 39 117.870 117.870 120.565 -2.695 26068 5615 1 12 . 1 1 39 39 ALA HA H 39 3.780 3.780 3.966 -0.186 26068 5616 1 12 . 1 1 39 39 ALA C C 39 177.770 177.770 178.567 -0.797 26068 5617 1 12 . 1 1 39 39 ALA CA C 39 53.910 53.910 54.814 -0.904 26068 5618 1 12 . 1 1 39 39 ALA CB C 39 17.370 17.370 18.248 -0.878 26068 5619 1 12 . 1 1 39 39 ALA H H 39 7.540 7.540 7.673 -0.133 26068 5620 1 12 . 1 1 40 40 LYS N N 40 117.340 117.340 117.035 0.305 26068 5621 1 12 . 1 1 40 40 LYS HA H 40 3.220 3.220 4.272 -1.052 26068 5622 1 12 . 1 1 40 40 LYS C C 40 179.390 179.390 178.292 1.098 26068 5623 1 12 . 1 1 40 40 LYS CA C 40 58.170 58.170 58.397 -0.227 26068 5624 1 12 . 1 1 40 40 LYS CB C 40 29.750 29.750 33.348 -3.598 26068 5625 1 12 . 1 1 40 40 LYS H H 40 7.760 7.760 7.514 0.246 26068 5626 1 12 . 1 1 41 41 GLU N N 41 119.510 119.510 121.237 -1.727 26068 5627 1 12 . 1 1 41 41 GLU HA H 41 3.900 3.900 4.271 -0.371 26068 5628 1 12 . 1 1 41 41 GLU C C 41 179.390 179.390 178.868 0.522 26068 5629 1 12 . 1 1 41 41 GLU CA C 41 57.850 57.850 58.450 -0.600 26068 5630 1 12 . 1 1 41 41 GLU CB C 41 28.720 28.720 29.619 -0.899 26068 5631 1 12 . 1 1 41 41 GLU H H 41 8.810 8.810 8.182 0.628 26068 5632 1 12 . 1 1 42 42 LEU N N 42 120.430 120.430 117.495 2.935 26068 5633 1 12 . 1 1 42 42 LEU HA H 42 3.670 3.670 4.180 -0.510 26068 5634 1 12 . 1 1 42 42 LEU C C 42 176.370 176.370 178.082 -1.712 26068 5635 1 12 . 1 1 42 42 LEU CA C 42 57.650 57.650 56.739 0.911 26068 5636 1 12 . 1 1 42 42 LEU CB C 42 41.040 41.040 41.637 -0.597 26068 5637 1 12 . 1 1 42 42 LEU H H 42 8.200 8.200 7.747 0.453 26068 5638 1 12 . 1 1 43 43 ALA N N 43 117.000 117.000 120.801 -3.801 26068 5639 1 12 . 1 1 43 43 ALA HA H 43 4.030 4.030 4.266 -0.236 26068 5640 1 12 . 1 1 43 43 ALA C C 43 177.510 177.510 179.159 -1.649 26068 5641 1 12 . 1 1 43 43 ALA CA C 43 53.130 53.130 54.105 -0.975 26068 5642 1 12 . 1 1 43 43 ALA CB C 43 19.230 19.230 19.499 -0.269 26068 5643 1 12 . 1 1 43 43 ALA H H 43 7.850 7.850 7.252 0.598 26068 5644 1 12 . 1 1 44 44 THR N N 44 107.520 107.520 110.700 -3.180 26068 5645 1 12 . 1 1 44 44 THR HA H 44 4.370 4.370 4.138 0.232 26068 5646 1 12 . 1 1 44 44 THR C C 44 174.160 174.160 175.680 -1.520 26068 5647 1 12 . 1 1 44 44 THR CA C 44 61.030 61.030 64.791 -3.761 26068 5648 1 12 . 1 1 44 44 THR CB C 44 69.200 69.200 69.508 -0.308 26068 5649 1 12 . 1 1 44 44 THR H H 44 7.570 7.570 8.060 -0.490 26068 5650 1 12 . 1 1 45 45 THR N N 45 120.020 120.020 116.134 3.886 26068 5651 1 12 . 1 1 45 45 THR HA H 45 4.170 4.170 4.132 0.038 26068 5652 1 12 . 1 1 45 45 THR C C 45 175.160 175.160 173.296 1.864 26068 5653 1 12 . 1 1 45 45 THR CA C 45 63.160 63.160 63.212 -0.052 26068 5654 1 12 . 1 1 45 45 THR CB C 45 68.750 68.750 68.404 0.346 26068 5655 1 12 . 1 1 45 45 THR H H 45 8.690 8.690 7.801 0.889 26068 5656 1 12 . 1 1 46 46 GLY N N 46 108.110 108.110 110.842 -2.732 26068 5657 1 12 . 1 1 46 46 GLY C C 46 171.890 171.890 172.367 -0.477 26068 5658 1 12 . 1 1 46 46 GLY CA C 46 44.600 44.600 44.230 0.370 26068 5659 1 12 . 1 1 46 46 GLY H H 46 8.300 8.300 7.854 0.446 26068 5660 1 12 . 1 1 47 47 GLU N N 47 115.320 115.320 119.758 -4.438 26068 5661 1 12 . 1 1 47 47 GLU HA H 47 5.330 5.330 4.570 0.760 26068 5662 1 12 . 1 1 47 47 GLU C C 47 173.280 173.280 175.099 -1.819 26068 5663 1 12 . 1 1 47 47 GLU CA C 47 54.060 54.060 55.446 -1.386 26068 5664 1 12 . 1 1 47 47 GLU CB C 47 32.280 32.280 32.108 0.172 26068 5665 1 12 . 1 1 47 47 GLU H H 47 7.210 7.210 8.464 -1.254 26068 5666 1 12 . 1 1 48 48 VAL N N 48 118.460 118.460 126.029 -7.569 26068 5667 1 12 . 1 1 48 48 VAL HA H 48 4.450 4.450 4.459 -0.009 26068 5668 1 12 . 1 1 48 48 VAL C C 48 171.500 171.500 174.723 -3.223 26068 5669 1 12 . 1 1 48 48 VAL CA C 48 60.080 60.080 61.505 -1.425 26068 5670 1 12 . 1 1 48 48 VAL CB C 48 32.510 32.510 33.738 -1.228 26068 5671 1 12 . 1 1 48 48 VAL H H 48 8.810 8.810 8.332 0.478 26068 5672 1 12 . 1 1 49 49 ARG N N 49 129.960 129.960 126.744 3.216 26068 5673 1 12 . 1 1 49 49 ARG HA H 49 4.700 4.700 4.835 -0.135 26068 5674 1 12 . 1 1 49 49 ARG C C 49 173.520 173.520 175.435 -1.915 26068 5675 1 12 . 1 1 49 49 ARG CA C 49 54.960 54.960 55.089 -0.129 26068 5676 1 12 . 1 1 49 49 ARG CB C 49 29.170 29.170 32.246 -3.076 26068 5677 1 12 . 1 1 49 49 ARG H H 49 9.510 9.510 8.679 0.831 26068 5678 1 12 . 1 1 50 50 LEU N N 50 129.550 129.550 126.769 2.781 26068 5679 1 12 . 1 1 50 50 LEU HA H 50 4.440 4.440 4.767 -0.327 26068 5680 1 12 . 1 1 50 50 LEU C C 50 171.890 171.890 175.388 -3.498 26068 5681 1 12 . 1 1 50 50 LEU CA C 50 51.100 51.100 53.471 -2.371 26068 5682 1 12 . 1 1 50 50 LEU CB C 50 41.740 41.740 44.148 -2.408 26068 5683 1 12 . 1 1 50 50 LEU H H 50 8.960 8.960 9.198 -0.238 26068 5684 1 12 . 1 1 51 51 PHE N N 51 122.720 122.720 126.155 -3.435 26068 5685 1 12 . 1 1 51 51 PHE HA H 51 3.750 3.750 4.220 -0.470 26068 5686 1 12 . 1 1 51 51 PHE C C 51 173.520 173.520 176.420 -2.900 26068 5687 1 12 . 1 1 51 51 PHE CA C 51 59.750 59.750 59.679 0.071 26068 5688 1 12 . 1 1 51 51 PHE CB C 51 36.610 36.610 39.215 -2.604 26068 5689 1 12 . 1 1 51 51 PHE H H 51 7.960 7.960 8.644 -0.684 26068 5690 1 12 . 1 1 52 52 ASP N N 52 122.670 122.670 123.407 -0.737 26068 5691 1 12 . 1 1 52 52 ASP HA H 52 5.070 5.070 4.033 1.037 26068 5692 1 12 . 1 1 52 52 ASP C C 52 175.160 175.160 175.081 0.079 26068 5693 1 12 . 1 1 52 52 ASP CA C 52 53.380 53.380 55.635 -2.255 26068 5694 1 12 . 1 1 52 52 ASP CB C 52 39.950 39.950 39.990 -0.041 26068 5695 1 12 . 1 1 52 52 ASP H H 52 8.690 8.690 8.300 0.390 26068 5696 1 12 . 1 1 53 53 ILE N N 53 121.190 121.190 118.034 3.156 26068 5697 1 12 . 1 1 53 53 ILE HA H 53 3.980 3.980 4.070 -0.090 26068 5698 1 12 . 1 1 53 53 ILE C C 53 174.950 174.950 175.937 -0.987 26068 5699 1 12 . 1 1 53 53 ILE CA C 53 63.530 63.530 62.793 0.737 26068 5700 1 12 . 1 1 53 53 ILE CB C 53 37.000 37.000 39.518 -2.518 26068 5701 1 12 . 1 1 53 53 ILE H H 53 8.710 8.710 7.528 1.182 26068 5702 1 12 . 1 1 54 54 GLY N N 54 101.400 101.400 106.697 -5.297 26068 5703 1 12 . 1 1 54 54 GLY C C 54 169.840 169.840 171.659 -1.819 26068 5704 1 12 . 1 1 54 54 GLY CA C 54 43.740 43.740 44.502 -0.762 26068 5705 1 12 . 1 1 54 54 GLY H H 54 6.690 6.690 8.258 -1.568 26068 5706 1 12 . 1 1 55 55 LYS N N 55 119.440 119.440 119.781 -0.341 26068 5707 1 12 . 1 1 55 55 LYS HA H 55 4.930 4.930 5.338 -0.408 26068 5708 1 12 . 1 1 55 55 LYS C C 55 174.340 174.340 175.927 -1.587 26068 5709 1 12 . 1 1 55 55 LYS CA C 55 54.190 54.190 54.254 -0.064 26068 5710 1 12 . 1 1 55 55 LYS CB C 55 33.660 33.660 35.917 -2.257 26068 5711 1 12 . 1 1 55 55 LYS H H 55 8.110 8.110 8.319 -0.209 26068 5712 1 12 . 1 1 56 56 PHE N N 56 128.540 128.540 123.367 5.173 26068 5713 1 12 . 1 1 56 56 PHE HA H 56 5.170 5.170 4.799 0.371 26068 5714 1 12 . 1 1 56 56 PHE C C 56 174.040 174.040 176.077 -2.037 26068 5715 1 12 . 1 1 56 56 PHE CA C 56 56.140 56.140 59.296 -3.156 26068 5716 1 12 . 1 1 56 56 PHE CB C 56 41.100 41.100 39.623 1.477 26068 5717 1 12 . 1 1 56 56 PHE H H 56 9.420 9.420 8.433 0.987 26068 5718 1 12 . 1 1 57 57 LYS N N 57 120.820 120.820 119.051 1.769 26068 5719 1 12 . 1 1 57 57 LYS HA H 57 5.030 5.030 4.850 0.180 26068 5720 1 12 . 1 1 57 57 LYS C C 57 173.280 173.280 174.714 -1.434 26068 5721 1 12 . 1 1 57 57 LYS CA C 57 54.190 54.190 54.997 -0.807 26068 5722 1 12 . 1 1 57 57 LYS CB C 57 36.420 36.420 36.307 0.113 26068 5723 1 12 . 1 1 57 57 LYS H H 57 9.060 9.060 9.221 -0.161 26068 5724 1 12 . 1 1 58 58 LEU N N 58 125.690 125.690 122.056 3.634 26068 5725 1 12 . 1 1 58 58 LEU HA H 58 4.950 4.950 5.016 -0.066 26068 5726 1 12 . 1 1 58 58 LEU C C 58 175.180 175.180 177.364 -2.184 26068 5727 1 12 . 1 1 58 58 LEU CA C 58 52.890 52.890 54.755 -1.865 26068 5728 1 12 . 1 1 58 58 LEU CB C 58 42.320 42.320 43.075 -0.755 26068 5729 1 12 . 1 1 58 58 LEU H H 58 8.420 8.420 8.542 -0.122 26068 5730 1 12 . 1 1 59 59 VAL N N 59 125.770 125.770 126.337 -0.567 26068 5731 1 12 . 1 1 59 59 VAL HA H 59 4.540 4.540 4.326 0.214 26068 5732 1 12 . 1 1 59 59 VAL C C 59 174.690 174.690 174.800 -0.110 26068 5733 1 12 . 1 1 59 59 VAL CA C 59 59.780 59.780 61.985 -2.205 26068 5734 1 12 . 1 1 59 59 VAL CB C 59 32.950 32.950 31.654 1.296 26068 5735 1 12 . 1 1 59 59 VAL H H 59 9.260 9.260 8.668 0.592 26068 5736 1 12 . 1 1 60 60 THR N N 60 119.180 119.180 120.584 -1.404 26068 5737 1 12 . 1 1 60 60 THR C C 60 174.250 174.250 173.202 1.048 26068 5738 1 12 . 1 1 60 60 THR CA C 60 60.740 60.740 59.477 1.262 26068 5739 1 12 . 1 1 60 60 THR CB C 60 65.260 65.260 70.055 -4.795 26068 5740 1 12 . 1 1 60 60 THR H H 60 8.480 8.480 8.311 0.169 26068 5741 1 12 . 1 1 61 61 THR N N 61 117.840 117.840 113.042 4.798 26068 5742 1 12 . 1 1 61 61 THR C C 61 173.550 173.550 173.164 0.386 26068 5743 1 12 . 1 1 61 61 THR CA C 61 59.290 59.290 60.663 -1.373 26068 5744 1 12 . 1 1 61 61 THR H H 61 8.610 8.610 8.200 0.410 26068 5745 1 12 . 1 1 62 62 LYS N N 62 122.610 122.610 119.832 2.778 26068 5746 1 12 . 1 1 62 62 LYS HA H 62 4.480 4.480 4.572 -0.092 26068 5747 1 12 . 1 1 62 62 LYS CA C 62 53.750 53.750 54.355 -0.605 26068 5748 1 12 . 1 1 62 62 LYS H H 62 8.380 8.380 8.318 0.062 26068 5749 1 12 . 1 1 63 63 PRO C C 63 176.780 176.780 176.439 0.341 26068 5750 1 12 . 1 1 64 64 ARG N N 64 116.830 116.830 119.965 -3.135 26068 5751 1 12 . 1 1 64 64 ARG C C 64 177.070 177.070 174.579 2.491 26068 5752 1 12 . 1 1 64 64 ARG CA C 64 57.230 57.230 55.090 2.140 26068 5753 1 12 . 1 1 64 64 ARG H H 64 8.130 8.130 9.035 -0.905 26068 5754 1 12 . 1 1 65 65 THR N N 65 127.240 127.240 114.857 12.383 26068 5755 1 12 . 1 1 65 65 THR C C 65 173.780 173.780 173.049 0.731 26068 5756 1 12 . 1 1 65 65 THR CA C 65 60.680 60.680 60.694 -0.014 26068 5757 1 12 . 1 1 65 65 THR H H 65 7.370 7.370 8.266 -0.896 26068 5758 1 12 . 1 1 66 66 GLY N N 66 112.840 112.840 111.987 0.853 26068 5759 1 12 . 1 1 66 66 GLY C C 66 171.630 171.630 172.032 -0.402 26068 5760 1 12 . 1 1 66 66 GLY CA C 66 43.610 43.610 44.677 -1.067 26068 5761 1 12 . 1 1 66 66 GLY H H 66 8.760 8.760 8.528 0.232 26068 5762 1 12 . 1 1 67 67 ILE N N 67 119.560 119.560 116.085 3.475 26068 5763 1 12 . 1 1 67 67 ILE C C 67 175.110 175.110 174.279 0.831 26068 5764 1 12 . 1 1 67 67 ILE CA C 67 58.220 58.220 57.474 0.746 26068 5765 1 12 . 1 1 67 67 ILE H H 67 8.310 8.310 8.125 0.185 26068 5766 1 12 . 1 1 68 68 ASN N N 68 127.190 127.190 122.598 4.592 26068 5767 1 12 . 1 1 68 68 ASN CA C 68 49.840 49.840 50.287 -0.447 26068 5768 1 12 . 1 1 68 68 ASN H H 68 8.750 8.750 8.255 0.495 26068 5769 1 12 . 1 1 70 70 LYS N N 70 128.540 128.540 118.158 10.382 26068 5770 1 12 . 1 1 70 70 LYS HA H 70 4.530 4.530 4.365 0.165 26068 5771 1 12 . 1 1 70 70 LYS CA C 70 57.270 57.270 57.210 0.060 26068 5772 1 12 . 1 1 70 70 LYS H H 70 8.870 8.870 9.253 -0.383 26068 5773 1 12 . 1 1 71 71 THR C C 71 174.770 174.770 173.271 1.499 26068 5774 1 12 . 1 1 71 71 THR CA C 71 60.650 60.650 60.483 0.167 26068 5775 1 12 . 1 1 72 72 LYS N N 72 116.540 116.540 122.861 -6.321 26068 5776 1 12 . 1 1 72 72 LYS C C 72 174.500 174.500 175.610 -1.110 26068 5777 1 12 . 1 1 72 72 LYS CA C 72 56.710 56.710 56.282 0.428 26068 5778 1 12 . 1 1 72 72 LYS H H 72 8.450 8.450 8.528 -0.078 26068 5779 1 12 . 1 1 73 73 GLN N N 73 117.620 117.620 120.775 -3.155 26068 5780 1 12 . 1 1 73 73 GLN HA H 73 4.200 4.200 4.643 -0.443 26068 5781 1 12 . 1 1 73 73 GLN C C 73 174.700 174.700 174.353 0.347 26068 5782 1 12 . 1 1 73 73 GLN CA C 73 54.250 54.250 54.163 0.087 26068 5783 1 12 . 1 1 73 73 GLN H H 73 7.600 7.600 7.944 -0.344 26068 5784 1 12 . 1 1 74 74 LYS N N 74 122.530 122.530 121.082 1.448 26068 5785 1 12 . 1 1 74 74 LYS C C 74 175.840 175.840 175.640 0.200 26068 5786 1 12 . 1 1 74 74 LYS CA C 74 55.900 55.900 55.070 0.830 26068 5787 1 12 . 1 1 74 74 LYS H H 74 8.500 8.500 8.419 0.081 26068 5788 1 12 . 1 1 75 75 ILE N N 75 121.120 121.120 122.580 -1.460 26068 5789 1 12 . 1 1 75 75 ILE HA H 75 4.440 4.440 4.430 0.010 26068 5790 1 12 . 1 1 75 75 ILE C C 75 174.000 174.000 175.303 -1.303 26068 5791 1 12 . 1 1 75 75 ILE CA C 75 58.750 58.750 58.906 -0.156 26068 5792 1 12 . 1 1 75 75 ILE H H 75 8.480 8.480 8.722 -0.242 26068 5793 1 12 . 1 1 76 76 GLN N N 76 123.280 123.280 125.847 -2.567 26068 5794 1 12 . 1 1 76 76 GLN C C 76 174.000 174.000 175.269 -1.269 26068 5795 1 12 . 1 1 76 76 GLN CA C 76 54.220 54.220 54.459 -0.239 26068 5796 1 12 . 1 1 76 76 GLN H H 76 8.510 8.510 8.524 -0.014 26068 5797 1 12 . 1 1 77 77 ILE N N 77 115.590 115.590 125.635 -10.045 26068 5798 1 12 . 1 1 77 77 ILE CA C 77 60.710 60.710 58.545 2.165 26068 5799 1 12 . 1 1 77 77 ILE H H 77 8.420 8.420 8.829 -0.409 26068 5800 1 12 . 1 1 78 78 PRO C C 78 176.070 176.070 175.778 0.292 26068 5801 1 12 . 1 1 79 79 ALA N N 79 123.150 123.150 121.449 1.701 26068 5802 1 12 . 1 1 79 79 ALA HA H 79 3.990 3.990 4.578 -0.588 26068 5803 1 12 . 1 1 79 79 ALA C C 79 176.740 176.740 177.471 -0.731 26068 5804 1 12 . 1 1 79 79 ALA CA C 79 51.670 51.670 51.055 0.615 26068 5805 1 12 . 1 1 79 79 ALA CB C 79 18.710 18.710 21.061 -2.351 26068 5806 1 12 . 1 1 79 79 ALA H H 79 8.490 8.490 8.162 0.328 26068 5807 1 12 . 1 1 80 80 GLY N N 80 109.540 109.540 108.721 0.819 26068 5808 1 12 . 1 1 80 80 GLY C C 80 172.350 172.350 172.850 -0.500 26068 5809 1 12 . 1 1 80 80 GLY CA C 80 43.650 43.650 44.889 -1.239 26068 5810 1 12 . 1 1 80 80 GLY H H 80 7.960 7.960 8.584 -0.624 26068 5811 1 12 . 1 1 81 81 LYS N N 81 120.310 120.310 121.469 -1.159 26068 5812 1 12 . 1 1 81 81 LYS C C 81 174.920 174.920 175.859 -0.939 26068 5813 1 12 . 1 1 81 81 LYS CA C 81 54.330 54.330 54.598 -0.268 26068 5814 1 12 . 1 1 81 81 LYS H H 81 8.330 8.330 8.325 0.005 26068 5815 1 12 . 1 1 82 82 LYS N N 82 121.710 121.710 120.635 1.075 26068 5816 1 12 . 1 1 82 82 LYS HA H 82 4.670 4.670 4.680 -0.010 26068 5817 1 12 . 1 1 82 82 LYS C C 82 173.360 173.360 174.707 -1.347 26068 5818 1 12 . 1 1 82 82 LYS CA C 82 53.910 53.910 55.425 -1.515 26068 5819 1 12 . 1 1 82 82 LYS CB C 82 35.200 35.200 35.061 0.139 26068 5820 1 12 . 1 1 82 82 LYS H H 82 8.970 8.970 8.419 0.551 26068 5821 1 12 . 1 1 83 83 ILE N N 83 123.310 123.310 123.098 0.212 26068 5822 1 12 . 1 1 83 83 ILE HA H 83 4.700 4.700 4.933 -0.233 26068 5823 1 12 . 1 1 83 83 ILE C C 83 173.820 173.820 175.840 -2.020 26068 5824 1 12 . 1 1 83 83 ILE CA C 83 60.200 60.200 60.491 -0.291 26068 5825 1 12 . 1 1 83 83 ILE CB C 83 37.960 37.960 39.562 -1.602 26068 5826 1 12 . 1 1 83 83 ILE H H 83 8.470 8.470 8.639 -0.169 26068 5827 1 12 . 1 1 84 84 LYS N N 84 127.190 127.190 128.527 -1.337 26068 5828 1 12 . 1 1 84 84 LYS HA H 84 4.700 4.700 4.744 -0.044 26068 5829 1 12 . 1 1 84 84 LYS C C 84 173.770 173.770 174.356 -0.586 26068 5830 1 12 . 1 1 84 84 LYS CA C 84 53.260 53.260 54.923 -1.663 26068 5831 1 12 . 1 1 84 84 LYS CB C 84 35.070 35.070 36.473 -1.403 26068 5832 1 12 . 1 1 84 84 LYS H H 84 9.160 9.160 8.813 0.347 26068 5833 1 12 . 1 1 85 85 LEU N N 85 125.120 125.120 124.728 0.392 26068 5834 1 12 . 1 1 85 85 LEU HA H 85 4.690 4.690 4.838 -0.148 26068 5835 1 12 . 1 1 85 85 LEU C C 85 175.520 175.520 176.111 -0.591 26068 5836 1 12 . 1 1 85 85 LEU CA C 85 52.080 52.080 54.079 -1.999 26068 5837 1 12 . 1 1 85 85 LEU CB C 85 43.670 43.670 44.446 -0.776 26068 5838 1 12 . 1 1 85 85 LEU H H 85 8.620 8.620 8.454 0.166 26068 5839 1 12 . 1 1 86 86 THR N N 86 124.610 124.610 117.888 6.722 26068 5840 1 12 . 1 1 86 86 THR HA H 86 4.550 4.550 4.557 -0.007 26068 5841 1 12 . 1 1 86 86 THR C C 86 174.770 174.770 173.646 1.124 26068 5842 1 12 . 1 1 86 86 THR CA C 86 60.440 60.440 61.222 -0.783 26068 5843 1 12 . 1 1 86 86 THR CB C 86 68.040 68.040 69.857 -1.817 26068 5844 1 12 . 1 1 86 86 THR H H 86 8.770 8.770 8.576 0.194 26068 5845 1 12 . 1 1 87 87 VAL C C 87 174.810 174.810 176.020 -1.210 26068 5846 1 12 . 1 1 87 87 VAL CA C 87 63.170 63.170 61.880 1.290 26068 5847 1 12 . 1 1 88 88 SER N N 88 122.640 122.640 121.245 1.395 26068 5848 1 12 . 1 1 88 88 SER HA H 88 4.470 4.470 4.525 -0.055 26068 5849 1 12 . 1 1 88 88 SER CA C 88 56.790 56.790 57.681 -0.891 26068 5850 1 12 . 1 1 88 88 SER H H 88 8.330 8.330 8.559 -0.229 26068 5851 1 12 . 1 1 89 89 LYS C C 89 176.560 176.560 177.611 -1.051 26068 5852 1 12 . 1 1 90 90 ILE N N 90 117.640 117.640 119.222 -1.582 26068 5853 1 12 . 1 1 90 90 ILE HA H 90 3.700 3.700 3.977 -0.277 26068 5854 1 12 . 1 1 90 90 ILE C C 90 178.250 178.250 176.264 1.986 26068 5855 1 12 . 1 1 90 90 ILE CA C 90 63.200 63.200 62.634 0.566 26068 5856 1 12 . 1 1 90 90 ILE CB C 90 36.230 36.230 38.089 -1.859 26068 5857 1 12 . 1 1 90 90 ILE H H 90 7.930 7.930 7.656 0.274 26068 5858 1 12 . 1 1 91 91 LEU N N 91 121.350 121.350 119.299 2.051 26068 5859 1 12 . 1 1 91 91 LEU HA H 91 4.210 4.210 4.705 -0.495 26068 5860 1 12 . 1 1 91 91 LEU C C 91 177.410 177.410 175.431 1.979 26068 5861 1 12 . 1 1 91 91 LEU CA C 91 56.750 56.750 55.092 1.658 26068 5862 1 12 . 1 1 91 91 LEU CB C 91 39.561 39.561 45.356 -5.795 26068 5863 1 12 . 1 1 91 91 LEU H H 91 7.380 7.380 8.135 -0.755 26068 5864 1 12 . 1 1 92 92 THR N N 92 113.940 113.940 113.628 0.312 26068 5865 1 12 . 1 1 92 92 THR HA H 92 3.670 3.670 4.700 -1.030 26068 5866 1 12 . 1 1 92 92 THR C C 92 176.170 176.170 173.619 2.551 26068 5867 1 12 . 1 1 92 92 THR CA C 92 66.150 66.150 62.479 3.671 26068 5868 1 12 . 1 1 92 92 THR CB C 92 66.950 66.950 69.132 -2.182 26068 5869 1 12 . 1 1 92 92 THR H H 92 7.780 7.780 7.649 0.131 26068 5870 1 12 . 1 1 93 93 ASP N N 93 121.580 121.580 121.530 0.050 26068 5871 1 12 . 1 1 93 93 ASP HA H 93 4.360 4.360 4.737 -0.377 26068 5872 1 12 . 1 1 93 93 ASP C C 93 178.020 178.020 175.002 3.018 26068 5873 1 12 . 1 1 93 93 ASP CA C 93 56.140 56.140 54.342 1.798 26068 5874 1 12 . 1 1 93 93 ASP CB C 93 38.730 38.730 42.825 -4.095 26068 5875 1 12 . 1 1 93 93 ASP H H 93 8.790 8.790 7.877 0.913 26068 5876 1 12 . 1 1 94 94 ALA N N 94 124.610 124.610 126.657 -2.047 26068 5877 1 12 . 1 1 94 94 ALA HA H 94 4.130 4.130 3.885 0.245 26068 5878 1 12 . 1 1 94 94 ALA C C 94 180.080 180.080 176.019 4.061 26068 5879 1 12 . 1 1 94 94 ALA CA C 94 54.120 54.120 53.686 0.434 26068 5880 1 12 . 1 1 94 94 ALA CB C 94 17.110 17.110 18.334 -1.224 26068 5881 1 12 . 1 1 94 94 ALA H H 94 8.050 8.050 8.322 -0.272 26068 5882 1 12 . 1 1 95 95 VAL N N 95 119.040 119.040 116.099 2.941 26068 5883 1 12 . 1 1 95 95 VAL HA H 95 3.650 3.650 4.414 -0.764 26068 5884 1 12 . 1 1 95 95 VAL C C 95 177.260 177.260 175.443 1.817 26068 5885 1 12 . 1 1 95 95 VAL CA C 95 65.350 65.350 61.106 4.244 26068 5886 1 12 . 1 1 95 95 VAL CB C 95 30.640 30.640 34.211 -3.571 26068 5887 1 12 . 1 1 95 95 VAL H H 95 8.110 8.110 7.412 0.698 26068 5888 1 12 . 1 1 96 96 ASP N N 96 119.550 119.550 122.934 -3.384 26068 5889 1 12 . 1 1 96 96 ASP HA H 96 4.460 4.460 4.342 0.118 26068 5890 1 12 . 1 1 96 96 ASP C C 96 176.710 176.710 176.292 0.418 26068 5891 1 12 . 1 1 96 96 ASP CA C 96 55.790 55.790 56.997 -1.207 26068 5892 1 12 . 1 1 96 96 ASP CB C 96 40.140 40.140 40.019 0.121 26068 5893 1 12 . 1 1 96 96 ASP H H 96 7.970 7.970 8.749 -0.779 26068 5894 1 12 . 1 1 97 97 SER N N 97 112.600 112.600 117.632 -5.032 26068 5895 1 12 . 1 1 97 97 SER HA H 97 4.420 4.420 4.400 0.020 26068 5896 1 12 . 1 1 97 97 SER CA C 97 58.290 58.290 59.516 -1.226 26068 5897 1 12 . 1 1 97 97 SER CB C 97 62.720 62.720 65.001 -2.281 26068 5898 1 12 . 1 1 97 97 SER H H 97 7.870 7.870 8.278 -0.408 26068 5899 1 12 . 1 1 98 98 HIS N N 98 122.580 122.580 121.180 1.400 26068 5900 1 12 . 1 1 98 98 HIS HA H 98 4.090 4.090 4.800 -0.710 26068 5901 1 12 . 1 1 98 98 HIS C C 98 173.400 173.400 172.633 0.767 26068 5902 1 12 . 1 1 98 98 HIS CA C 98 57.400 57.400 56.375 1.025 26068 5903 1 12 . 1 1 98 98 HIS CB C 98 29.810 29.810 31.277 -1.467 26068 5904 1 12 . 1 1 98 98 HIS H H 98 7.340 7.340 7.627 -0.287 26068 5905 1 13 . 1 1 2 2 ALA N N 2 125.690 125.690 125.701 -0.011 26068 5906 1 13 . 1 1 2 2 ALA C C 2 176.530 176.530 176.886 -0.356 26068 5907 1 13 . 1 1 2 2 ALA CA C 2 51.730 51.730 51.494 0.236 26068 5908 1 13 . 1 1 2 2 ALA H H 2 8.250 8.250 8.427 -0.177 26068 5909 1 13 . 1 1 3 3 LYS N N 3 121.040 121.040 123.343 -2.303 26068 5910 1 13 . 1 1 3 3 LYS C C 3 175.520 175.520 175.531 -0.011 26068 5911 1 13 . 1 1 3 3 LYS CA C 3 55.230 55.230 55.852 -0.623 26068 5912 1 13 . 1 1 3 3 LYS H H 3 8.210 8.210 8.436 -0.226 26068 5913 1 13 . 1 1 4 4 ILE N N 4 122.490 122.490 125.093 -2.603 26068 5914 1 13 . 1 1 4 4 ILE HA H 4 4.180 4.180 4.246 -0.066 26068 5915 1 13 . 1 1 4 4 ILE C C 4 174.950 174.950 175.912 -0.962 26068 5916 1 13 . 1 1 4 4 ILE CA C 4 59.870 59.870 59.093 0.777 26068 5917 1 13 . 1 1 4 4 ILE H H 4 8.170 8.170 8.412 -0.242 26068 5918 1 13 . 1 1 5 5 LYS N N 5 126.600 126.600 127.746 -1.146 26068 5919 1 13 . 1 1 5 5 LYS C C 5 174.330 174.330 176.195 -1.865 26068 5920 1 13 . 1 1 5 5 LYS CA C 5 55.060 55.060 56.078 -1.018 26068 5921 1 13 . 1 1 5 5 LYS H H 5 8.320 8.320 8.551 -0.231 26068 5922 1 13 . 1 1 6 6 SER N N 6 118.400 118.400 121.041 -2.641 26068 5923 1 13 . 1 1 6 6 SER C C 6 174.220 174.220 174.147 0.073 26068 5924 1 13 . 1 1 6 6 SER CA C 6 56.300 56.300 58.531 -2.231 26068 5925 1 13 . 1 1 6 6 SER H H 6 8.200 8.200 8.539 -0.339 26068 5926 1 13 . 1 1 7 7 LEU N N 7 125.400 125.400 122.020 3.380 26068 5927 1 13 . 1 1 7 7 LEU C C 7 177.730 177.730 175.266 2.464 26068 5928 1 13 . 1 1 7 7 LEU CA C 7 54.950 54.950 54.402 0.548 26068 5929 1 13 . 1 1 7 7 LEU CB C 7 42.000 42.000 43.725 -1.725 26068 5930 1 13 . 1 1 7 7 LEU H H 7 9.050 9.050 8.308 0.742 26068 5931 1 13 . 1 1 8 8 SER N N 8 124.870 124.870 115.984 8.886 26068 5932 1 13 . 1 1 8 8 SER HA H 8 4.510 4.510 4.667 -0.157 26068 5933 1 13 . 1 1 8 8 SER C C 8 173.810 173.810 175.433 -1.623 26068 5934 1 13 . 1 1 8 8 SER CA C 8 56.740 56.740 57.982 -1.242 26068 5935 1 13 . 1 1 8 8 SER CB C 8 64.390 64.390 63.964 0.426 26068 5936 1 13 . 1 1 8 8 SER H H 8 9.140 9.140 8.662 0.478 26068 5937 1 13 . 1 1 9 9 ALA N N 9 124.340 124.340 124.879 -0.539 26068 5938 1 13 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.557 -0.157 26068 5939 1 13 . 1 1 9 9 ALA C C 9 178.940 178.940 179.194 -0.254 26068 5940 1 13 . 1 1 9 9 ALA CA C 9 54.940 54.940 53.517 1.423 26068 5941 1 13 . 1 1 9 9 ALA H H 9 8.710 8.710 8.450 0.260 26068 5942 1 13 . 1 1 10 10 ALA N N 10 117.990 117.990 122.389 -4.399 26068 5943 1 13 . 1 1 10 10 ALA C C 10 180.600 180.600 180.080 0.520 26068 5944 1 13 . 1 1 10 10 ALA CA C 10 54.380 54.380 54.733 -0.353 26068 5945 1 13 . 1 1 10 10 ALA CB C 10 17.240 17.240 18.471 -1.231 26068 5946 1 13 . 1 1 10 10 ALA H H 10 8.380 8.380 8.321 0.059 26068 5947 1 13 . 1 1 11 11 GLU N N 11 118.900 118.900 118.040 0.860 26068 5948 1 13 . 1 1 11 11 GLU HA H 11 4.040 4.040 4.101 -0.061 26068 5949 1 13 . 1 1 11 11 GLU C C 11 177.770 177.770 177.588 0.182 26068 5950 1 13 . 1 1 11 11 GLU CA C 11 58.210 58.210 58.552 -0.342 26068 5951 1 13 . 1 1 11 11 GLU CB C 11 29.310 29.310 29.395 -0.085 26068 5952 1 13 . 1 1 11 11 GLU H H 11 7.780 7.780 8.388 -0.608 26068 5953 1 13 . 1 1 12 12 TYR N N 12 125.590 125.590 117.342 8.248 26068 5954 1 13 . 1 1 12 12 TYR C C 12 179.280 179.280 176.462 2.818 26068 5955 1 13 . 1 1 12 12 TYR CA C 12 59.690 59.690 58.651 1.039 26068 5956 1 13 . 1 1 12 12 TYR CB C 12 37.530 37.530 39.687 -2.157 26068 5957 1 13 . 1 1 12 12 TYR H H 12 8.800 8.800 7.753 1.047 26068 5958 1 13 . 1 1 13 13 LEU N N 13 118.240 118.240 119.414 -1.174 26068 5959 1 13 . 1 1 13 13 LEU HA H 13 4.130 4.130 3.873 0.257 26068 5960 1 13 . 1 1 13 13 LEU C C 13 177.790 177.790 178.833 -1.043 26068 5961 1 13 . 1 1 13 13 LEU CA C 13 58.180 58.180 57.725 0.455 26068 5962 1 13 . 1 1 13 13 LEU CB C 13 41.290 41.290 41.579 -0.289 26068 5963 1 13 . 1 1 13 13 LEU H H 13 8.770 8.770 7.367 1.403 26068 5964 1 13 . 1 1 14 14 LYS N N 14 118.870 118.870 116.824 2.046 26068 5965 1 13 . 1 1 14 14 LYS HA H 14 3.980 3.980 4.198 -0.218 26068 5966 1 13 . 1 1 14 14 LYS C C 14 177.090 177.090 177.848 -0.758 26068 5967 1 13 . 1 1 14 14 LYS CA C 14 58.610 58.610 58.019 0.591 26068 5968 1 13 . 1 1 14 14 LYS CB C 14 31.220 31.220 31.541 -0.321 26068 5969 1 13 . 1 1 14 14 LYS H H 14 7.790 7.790 8.222 -0.432 26068 5970 1 13 . 1 1 15 15 GLU N N 15 119.560 119.560 118.815 0.745 26068 5971 1 13 . 1 1 15 15 GLU HA H 15 4.050 4.050 4.383 -0.333 26068 5972 1 13 . 1 1 15 15 GLU C C 15 179.660 179.660 176.456 3.204 26068 5973 1 13 . 1 1 15 15 GLU CA C 15 59.260 59.260 56.532 2.728 26068 5974 1 13 . 1 1 15 15 GLU CB C 15 28.010 28.010 29.918 -1.908 26068 5975 1 13 . 1 1 15 15 GLU H H 15 8.330 8.330 7.676 0.654 26068 5976 1 13 . 1 1 16 16 MET N N 16 116.760 116.760 117.586 -0.826 26068 5977 1 13 . 1 1 16 16 MET HA H 16 4.420 4.420 4.620 -0.200 26068 5978 1 13 . 1 1 16 16 MET C C 16 178.960 178.960 175.286 3.674 26068 5979 1 13 . 1 1 16 16 MET CA C 16 58.200 58.200 54.056 4.144 26068 5980 1 13 . 1 1 16 16 MET CB C 16 34.370 34.370 32.970 1.400 26068 5981 1 13 . 1 1 16 16 MET H H 16 7.940 7.940 7.593 0.347 26068 5982 1 13 . 1 1 17 17 ALA N N 17 128.000 128.000 121.824 6.176 26068 5983 1 13 . 1 1 17 17 ALA HA H 17 4.210 4.210 4.260 -0.050 26068 5984 1 13 . 1 1 17 17 ALA C C 17 179.620 179.620 176.508 3.112 26068 5985 1 13 . 1 1 17 17 ALA CA C 17 54.760 54.760 52.702 2.058 26068 5986 1 13 . 1 1 17 17 ALA CB C 17 17.750 17.750 17.406 0.344 26068 5987 1 13 . 1 1 17 17 ALA H H 17 8.820 8.820 8.024 0.796 26068 5988 1 13 . 1 1 18 18 ASP N N 18 119.660 119.660 117.894 1.766 26068 5989 1 13 . 1 1 18 18 ASP HA H 18 4.420 4.420 4.525 -0.105 26068 5990 1 13 . 1 1 18 18 ASP C C 18 177.750 177.750 176.995 0.755 26068 5991 1 13 . 1 1 18 18 ASP CA C 18 55.790 55.790 55.074 0.716 26068 5992 1 13 . 1 1 18 18 ASP CB C 18 38.980 38.980 41.173 -2.193 26068 5993 1 13 . 1 1 18 18 ASP H H 18 8.770 8.770 8.219 0.551 26068 5994 1 13 . 1 1 19 19 GLU N N 19 117.150 117.150 120.864 -3.714 26068 5995 1 13 . 1 1 19 19 GLU HA H 19 4.190 4.190 4.161 0.029 26068 5996 1 13 . 1 1 19 19 GLU C C 19 177.540 177.540 177.134 0.406 26068 5997 1 13 . 1 1 19 19 GLU CA C 19 57.750 57.750 58.179 -0.429 26068 5998 1 13 . 1 1 19 19 GLU CB C 19 29.360 29.360 30.091 -0.731 26068 5999 1 13 . 1 1 19 19 GLU H H 19 7.620 7.620 8.551 -0.931 26068 6000 1 13 . 1 1 20 20 THR N N 20 105.730 105.730 113.034 -7.304 26068 6001 1 13 . 1 1 20 20 THR HA H 20 4.120 4.120 4.360 -0.240 26068 6002 1 13 . 1 1 20 20 THR C C 20 174.800 174.800 174.358 0.442 26068 6003 1 13 . 1 1 20 20 THR CA C 20 62.200 62.200 62.059 0.141 26068 6004 1 13 . 1 1 20 20 THR CB C 20 70.870 70.870 68.741 2.129 26068 6005 1 13 . 1 1 20 20 THR H H 20 7.900 7.900 7.756 0.144 26068 6006 1 13 . 1 1 21 21 ASN N N 21 116.950 116.950 123.571 -6.621 26068 6007 1 13 . 1 1 21 21 ASN HA H 21 4.390 4.390 4.867 -0.477 26068 6008 1 13 . 1 1 21 21 ASN C C 21 173.060 173.060 175.937 -2.877 26068 6009 1 13 . 1 1 21 21 ASN CA C 21 54.210 54.210 53.804 0.406 26068 6010 1 13 . 1 1 21 21 ASN CB C 21 36.870 36.870 38.803 -1.933 26068 6011 1 13 . 1 1 21 21 ASN H H 21 8.460 8.460 8.537 -0.077 26068 6012 1 13 . 1 1 22 22 ILE N N 22 121.830 121.830 119.408 2.422 26068 6013 1 13 . 1 1 22 22 ILE HA H 22 4.140 4.140 4.156 -0.016 26068 6014 1 13 . 1 1 22 22 ILE C C 22 174.780 174.780 176.317 -1.537 26068 6015 1 13 . 1 1 22 22 ILE CA C 22 59.100 59.100 62.321 -3.221 26068 6016 1 13 . 1 1 22 22 ILE CB C 22 37.060 37.060 38.317 -1.257 26068 6017 1 13 . 1 1 22 22 ILE H H 22 7.680 7.680 8.209 -0.529 26068 6018 1 13 . 1 1 23 23 LYS N N 23 124.750 124.750 118.212 6.538 26068 6019 1 13 . 1 1 23 23 LYS HA H 23 4.140 4.140 4.501 -0.361 26068 6020 1 13 . 1 1 23 23 LYS C C 23 178.550 178.550 174.662 3.888 26068 6021 1 13 . 1 1 23 23 LYS CA C 23 55.940 55.940 55.398 0.542 26068 6022 1 13 . 1 1 23 23 LYS CB C 23 31.670 31.670 35.788 -4.118 26068 6023 1 13 . 1 1 23 23 LYS H H 23 8.510 8.510 7.467 1.043 26068 6024 1 13 . 1 1 24 24 VAL N N 24 122.570 122.570 118.544 4.026 26068 6025 1 13 . 1 1 24 24 VAL C C 24 176.350 176.350 175.170 1.180 26068 6026 1 13 . 1 1 24 24 VAL CA C 24 66.090 66.090 63.876 2.214 26068 6027 1 13 . 1 1 24 24 VAL CB C 24 30.640 30.640 32.947 -2.307 26068 6028 1 13 . 1 1 24 24 VAL H H 24 8.800 8.800 8.279 0.521 26068 6029 1 13 . 1 1 25 25 GLN N N 25 117.730 117.730 120.142 -2.412 26068 6030 1 13 . 1 1 25 25 GLN C C 25 177.420 177.420 177.292 0.128 26068 6031 1 13 . 1 1 25 25 GLN CA C 25 58.500 58.500 58.565 -0.065 26068 6032 1 13 . 1 1 25 25 GLN CB C 25 26.800 26.800 28.345 -1.545 26068 6033 1 13 . 1 1 25 25 GLN H H 25 8.950 8.950 8.448 0.502 26068 6034 1 13 . 1 1 26 26 ASP N N 26 120.360 120.360 118.130 2.230 26068 6035 1 13 . 1 1 26 26 ASP HA H 26 4.610 4.610 4.540 0.070 26068 6036 1 13 . 1 1 26 26 ASP C C 26 177.320 177.320 177.855 -0.535 26068 6037 1 13 . 1 1 26 26 ASP CA C 26 55.980 55.980 56.303 -0.323 26068 6038 1 13 . 1 1 26 26 ASP CB C 26 39.240 39.240 39.761 -0.521 26068 6039 1 13 . 1 1 26 26 ASP H H 26 7.100 7.100 8.885 -1.785 26068 6040 1 13 . 1 1 27 27 ILE N N 27 120.730 120.730 119.062 1.668 26068 6041 1 13 . 1 1 27 27 ILE C C 27 177.470 177.470 177.503 -0.033 26068 6042 1 13 . 1 1 27 27 ILE CA C 27 65.110 65.110 62.867 2.243 26068 6043 1 13 . 1 1 27 27 ILE CB C 27 35.840 35.840 37.183 -1.343 26068 6044 1 13 . 1 1 27 27 ILE H H 27 7.950 7.950 7.124 0.826 26068 6045 1 13 . 1 1 28 28 ARG N N 28 118.340 118.340 119.366 -1.026 26068 6046 1 13 . 1 1 28 28 ARG C C 28 178.150 178.150 178.807 -0.657 26068 6047 1 13 . 1 1 28 28 ARG CA C 28 59.040 59.040 59.618 -0.578 26068 6048 1 13 . 1 1 28 28 ARG CB C 28 28.910 28.910 29.931 -1.021 26068 6049 1 13 . 1 1 28 28 ARG H H 28 8.640 8.640 7.574 1.066 26068 6050 1 13 . 1 1 29 29 LEU N N 29 119.800 119.800 118.547 1.253 26068 6051 1 13 . 1 1 29 29 LEU HA H 29 4.050 4.050 4.261 -0.211 26068 6052 1 13 . 1 1 29 29 LEU C C 29 178.970 178.970 178.713 0.257 26068 6053 1 13 . 1 1 29 29 LEU CA C 29 57.150 57.150 57.096 0.055 26068 6054 1 13 . 1 1 29 29 LEU CB C 29 40.840 40.840 42.194 -1.354 26068 6055 1 13 . 1 1 29 29 LEU H H 29 7.340 7.340 7.460 -0.120 26068 6056 1 13 . 1 1 30 30 VAL N N 30 120.200 120.200 119.869 0.331 26068 6057 1 13 . 1 1 30 30 VAL HA H 30 3.410 3.410 3.732 -0.322 26068 6058 1 13 . 1 1 30 30 VAL C C 30 176.580 176.580 178.015 -1.435 26068 6059 1 13 . 1 1 30 30 VAL CA C 30 66.490 66.490 66.198 0.292 26068 6060 1 13 . 1 1 30 30 VAL CB C 30 30.390 30.390 31.253 -0.863 26068 6061 1 13 . 1 1 30 30 VAL H H 30 7.930 7.930 7.353 0.577 26068 6062 1 13 . 1 1 31 31 VAL N N 31 119.110 119.110 117.622 1.488 26068 6063 1 13 . 1 1 31 31 VAL HA H 31 3.210 3.210 3.721 -0.511 26068 6064 1 13 . 1 1 31 31 VAL C C 31 177.750 177.750 177.703 0.047 26068 6065 1 13 . 1 1 31 31 VAL CA C 31 66.040 66.040 66.168 -0.128 26068 6066 1 13 . 1 1 31 31 VAL CB C 31 29.870 29.870 30.932 -1.062 26068 6067 1 13 . 1 1 31 31 VAL H H 31 8.520 8.520 7.729 0.791 26068 6068 1 13 . 1 1 32 32 THR N N 32 118.400 118.400 114.707 3.693 26068 6069 1 13 . 1 1 32 32 THR C C 32 175.680 175.680 176.490 -0.810 26068 6070 1 13 . 1 1 32 32 THR CA C 32 66.440 66.440 66.677 -0.237 26068 6071 1 13 . 1 1 32 32 THR CB C 32 67.470 67.470 68.816 -1.345 26068 6072 1 13 . 1 1 32 32 THR H H 32 8.220 8.220 7.211 1.009 26068 6073 1 13 . 1 1 33 33 SER N N 33 118.470 118.470 118.936 -0.466 26068 6074 1 13 . 1 1 33 33 SER HA H 33 4.330 4.330 4.138 0.192 26068 6075 1 13 . 1 1 33 33 SER C C 33 175.560 175.560 176.660 -1.100 26068 6076 1 13 . 1 1 33 33 SER CA C 33 60.860 60.860 61.943 -1.083 26068 6077 1 13 . 1 1 33 33 SER CB C 33 62.720 62.720 62.648 0.072 26068 6078 1 13 . 1 1 33 33 SER H H 33 7.820 7.820 7.736 0.084 26068 6079 1 13 . 1 1 34 34 LEU N N 34 120.790 120.790 120.520 0.270 26068 6080 1 13 . 1 1 34 34 LEU C C 34 180.120 180.120 178.926 1.194 26068 6081 1 13 . 1 1 34 34 LEU CA C 34 58.680 58.680 57.064 1.616 26068 6082 1 13 . 1 1 34 34 LEU CB C 34 41.870 41.870 41.449 0.421 26068 6083 1 13 . 1 1 34 34 LEU H H 34 8.940 8.940 7.454 1.486 26068 6084 1 13 . 1 1 35 35 GLN N N 35 117.680 117.680 117.998 -0.318 26068 6085 1 13 . 1 1 35 35 GLN HA H 35 3.800 3.800 4.106 -0.306 26068 6086 1 13 . 1 1 35 35 GLN C C 35 176.160 176.160 178.350 -2.190 26068 6087 1 13 . 1 1 35 35 GLN CA C 35 58.910 58.910 57.831 1.079 26068 6088 1 13 . 1 1 35 35 GLN CB C 35 29.040 29.040 28.303 0.737 26068 6089 1 13 . 1 1 35 35 GLN H H 35 7.670 7.670 7.667 0.003 26068 6090 1 13 . 1 1 36 36 LYS N N 36 124.070 124.070 120.353 3.717 26068 6091 1 13 . 1 1 36 36 LYS HA H 36 4.000 4.000 3.969 0.031 26068 6092 1 13 . 1 1 36 36 LYS C C 36 178.720 178.720 178.885 -0.165 26068 6093 1 13 . 1 1 36 36 LYS CA C 36 59.100 59.100 59.840 -0.740 26068 6094 1 13 . 1 1 36 36 LYS CB C 36 31.480 31.480 32.043 -0.563 26068 6095 1 13 . 1 1 36 36 LYS H H 36 8.100 8.100 7.528 0.572 26068 6096 1 13 . 1 1 37 37 VAL N N 37 120.470 120.470 118.624 1.846 26068 6097 1 13 . 1 1 37 37 VAL HA H 37 3.420 3.420 3.625 -0.205 26068 6098 1 13 . 1 1 37 37 VAL C C 37 176.250 176.250 177.731 -1.481 26068 6099 1 13 . 1 1 37 37 VAL CA C 37 65.610 65.610 66.096 -0.486 26068 6100 1 13 . 1 1 37 37 VAL H H 37 8.560 8.560 7.390 1.170 26068 6101 1 13 . 1 1 38 38 LEU N N 38 119.990 119.990 119.035 0.955 26068 6102 1 13 . 1 1 38 38 LEU C C 38 176.920 176.920 178.951 -2.031 26068 6103 1 13 . 1 1 38 38 LEU CA C 38 57.720 57.720 57.896 -0.176 26068 6104 1 13 . 1 1 38 38 LEU CB C 38 41.040 41.040 40.459 0.581 26068 6105 1 13 . 1 1 38 38 LEU H H 38 7.120 7.120 7.215 -0.095 26068 6106 1 13 . 1 1 39 39 ALA N N 39 117.870 117.870 121.427 -3.557 26068 6107 1 13 . 1 1 39 39 ALA HA H 39 3.780 3.780 3.919 -0.139 26068 6108 1 13 . 1 1 39 39 ALA C C 39 177.770 177.770 179.288 -1.518 26068 6109 1 13 . 1 1 39 39 ALA CA C 39 53.910 53.910 55.257 -1.347 26068 6110 1 13 . 1 1 39 39 ALA CB C 39 17.370 17.370 18.020 -0.650 26068 6111 1 13 . 1 1 39 39 ALA H H 39 7.540 7.540 8.204 -0.664 26068 6112 1 13 . 1 1 40 40 LYS N N 40 117.340 117.340 118.267 -0.927 26068 6113 1 13 . 1 1 40 40 LYS HA H 40 3.220 3.220 3.986 -0.766 26068 6114 1 13 . 1 1 40 40 LYS C C 40 179.390 179.390 178.894 0.496 26068 6115 1 13 . 1 1 40 40 LYS CA C 40 58.170 58.170 59.329 -1.159 26068 6116 1 13 . 1 1 40 40 LYS CB C 40 29.750 29.750 32.559 -2.809 26068 6117 1 13 . 1 1 40 40 LYS H H 40 7.760 7.760 7.870 -0.110 26068 6118 1 13 . 1 1 41 41 GLU N N 41 119.510 119.510 120.404 -0.894 26068 6119 1 13 . 1 1 41 41 GLU HA H 41 3.900 3.900 4.152 -0.252 26068 6120 1 13 . 1 1 41 41 GLU C C 41 179.390 179.390 179.116 0.274 26068 6121 1 13 . 1 1 41 41 GLU CA C 41 57.850 57.850 58.720 -0.870 26068 6122 1 13 . 1 1 41 41 GLU CB C 41 28.720 28.720 29.321 -0.601 26068 6123 1 13 . 1 1 41 41 GLU H H 41 8.810 8.810 7.721 1.089 26068 6124 1 13 . 1 1 42 42 LEU N N 42 120.430 120.430 119.722 0.708 26068 6125 1 13 . 1 1 42 42 LEU HA H 42 3.670 3.670 3.964 -0.294 26068 6126 1 13 . 1 1 42 42 LEU C C 42 176.370 176.370 179.386 -3.016 26068 6127 1 13 . 1 1 42 42 LEU CA C 42 57.650 57.650 57.954 -0.304 26068 6128 1 13 . 1 1 42 42 LEU CB C 42 41.040 41.040 41.795 -0.755 26068 6129 1 13 . 1 1 42 42 LEU H H 42 8.200 8.200 7.949 0.251 26068 6130 1 13 . 1 1 43 43 ALA N N 43 117.000 117.000 120.756 -3.756 26068 6131 1 13 . 1 1 43 43 ALA HA H 43 4.030 4.030 4.052 -0.022 26068 6132 1 13 . 1 1 43 43 ALA C C 43 177.510 177.510 179.668 -2.158 26068 6133 1 13 . 1 1 43 43 ALA CA C 43 53.130 53.130 54.804 -1.674 26068 6134 1 13 . 1 1 43 43 ALA CB C 43 19.230 19.230 18.647 0.583 26068 6135 1 13 . 1 1 43 43 ALA H H 43 7.850 7.850 7.770 0.080 26068 6136 1 13 . 1 1 44 44 THR N N 44 107.520 107.520 107.240 0.280 26068 6137 1 13 . 1 1 44 44 THR HA H 44 4.370 4.370 4.157 0.213 26068 6138 1 13 . 1 1 44 44 THR C C 44 174.160 174.160 174.722 -0.562 26068 6139 1 13 . 1 1 44 44 THR CA C 44 61.030 61.030 62.730 -1.700 26068 6140 1 13 . 1 1 44 44 THR CB C 44 69.200 69.200 69.119 0.081 26068 6141 1 13 . 1 1 44 44 THR H H 44 7.570 7.570 7.705 -0.135 26068 6142 1 13 . 1 1 45 45 THR N N 45 120.020 120.020 114.747 5.273 26068 6143 1 13 . 1 1 45 45 THR HA H 45 4.170 4.170 4.127 0.043 26068 6144 1 13 . 1 1 45 45 THR C C 45 175.160 175.160 173.898 1.262 26068 6145 1 13 . 1 1 45 45 THR CA C 45 63.160 63.160 63.666 -0.506 26068 6146 1 13 . 1 1 45 45 THR CB C 45 68.750 68.750 67.709 1.041 26068 6147 1 13 . 1 1 45 45 THR H H 45 8.690 8.690 7.419 1.271 26068 6148 1 13 . 1 1 46 46 GLY N N 46 108.110 108.110 108.700 -0.590 26068 6149 1 13 . 1 1 46 46 GLY C C 46 171.890 171.890 172.397 -0.507 26068 6150 1 13 . 1 1 46 46 GLY CA C 46 44.600 44.600 44.651 -0.051 26068 6151 1 13 . 1 1 46 46 GLY H H 46 8.300 8.300 8.201 0.099 26068 6152 1 13 . 1 1 47 47 GLU N N 47 115.320 115.320 120.527 -5.207 26068 6153 1 13 . 1 1 47 47 GLU HA H 47 5.330 5.330 5.196 0.134 26068 6154 1 13 . 1 1 47 47 GLU C C 47 173.280 173.280 175.122 -1.842 26068 6155 1 13 . 1 1 47 47 GLU CA C 47 54.060 54.060 55.727 -1.667 26068 6156 1 13 . 1 1 47 47 GLU CB C 47 32.280 32.280 33.227 -0.947 26068 6157 1 13 . 1 1 47 47 GLU H H 47 7.210 7.210 8.264 -1.054 26068 6158 1 13 . 1 1 48 48 VAL N N 48 118.460 118.460 125.952 -7.492 26068 6159 1 13 . 1 1 48 48 VAL HA H 48 4.450 4.450 4.443 0.007 26068 6160 1 13 . 1 1 48 48 VAL C C 48 171.500 171.500 174.816 -3.316 26068 6161 1 13 . 1 1 48 48 VAL CA C 48 60.080 60.080 61.031 -0.951 26068 6162 1 13 . 1 1 48 48 VAL CB C 48 32.510 32.510 33.568 -1.058 26068 6163 1 13 . 1 1 48 48 VAL H H 48 8.810 8.810 9.291 -0.481 26068 6164 1 13 . 1 1 49 49 ARG N N 49 129.960 129.960 126.918 3.042 26068 6165 1 13 . 1 1 49 49 ARG HA H 49 4.700 4.700 4.613 0.087 26068 6166 1 13 . 1 1 49 49 ARG C C 49 173.520 173.520 175.462 -1.942 26068 6167 1 13 . 1 1 49 49 ARG CA C 49 54.960 54.960 55.222 -0.262 26068 6168 1 13 . 1 1 49 49 ARG CB C 49 29.170 29.170 30.330 -1.160 26068 6169 1 13 . 1 1 49 49 ARG H H 49 9.510 9.510 8.619 0.891 26068 6170 1 13 . 1 1 50 50 LEU N N 50 129.550 129.550 125.829 3.721 26068 6171 1 13 . 1 1 50 50 LEU HA H 50 4.440 4.440 4.555 -0.115 26068 6172 1 13 . 1 1 50 50 LEU C C 50 171.890 171.890 176.794 -4.904 26068 6173 1 13 . 1 1 50 50 LEU CA C 50 51.100 51.100 54.401 -3.301 26068 6174 1 13 . 1 1 50 50 LEU CB C 50 41.740 41.740 43.130 -1.391 26068 6175 1 13 . 1 1 50 50 LEU H H 50 8.960 8.960 8.327 0.633 26068 6176 1 13 . 1 1 51 51 PHE N N 51 122.720 122.720 123.966 -1.246 26068 6177 1 13 . 1 1 51 51 PHE HA H 51 3.750 3.750 4.428 -0.678 26068 6178 1 13 . 1 1 51 51 PHE C C 51 173.520 173.520 176.236 -2.716 26068 6179 1 13 . 1 1 51 51 PHE CA C 51 59.750 59.750 59.134 0.616 26068 6180 1 13 . 1 1 51 51 PHE CB C 51 36.610 36.610 39.194 -2.584 26068 6181 1 13 . 1 1 51 51 PHE H H 51 7.960 7.960 8.370 -0.410 26068 6182 1 13 . 1 1 52 52 ASP N N 52 122.670 122.670 123.579 -0.909 26068 6183 1 13 . 1 1 52 52 ASP HA H 52 5.070 5.070 4.013 1.057 26068 6184 1 13 . 1 1 52 52 ASP C C 52 175.160 175.160 174.924 0.236 26068 6185 1 13 . 1 1 52 52 ASP CA C 52 53.380 53.380 55.844 -2.464 26068 6186 1 13 . 1 1 52 52 ASP CB C 52 39.950 39.950 39.530 0.420 26068 6187 1 13 . 1 1 52 52 ASP H H 52 8.690 8.690 8.486 0.204 26068 6188 1 13 . 1 1 53 53 ILE N N 53 121.190 121.190 116.783 4.407 26068 6189 1 13 . 1 1 53 53 ILE HA H 53 3.980 3.980 3.991 -0.011 26068 6190 1 13 . 1 1 53 53 ILE C C 53 174.950 174.950 176.018 -1.068 26068 6191 1 13 . 1 1 53 53 ILE CA C 53 63.530 63.530 62.526 1.004 26068 6192 1 13 . 1 1 53 53 ILE CB C 53 37.000 37.000 38.782 -1.782 26068 6193 1 13 . 1 1 53 53 ILE H H 53 8.710 8.710 7.705 1.005 26068 6194 1 13 . 1 1 54 54 GLY N N 54 101.400 101.400 104.915 -3.515 26068 6195 1 13 . 1 1 54 54 GLY C C 54 169.840 169.840 171.719 -1.879 26068 6196 1 13 . 1 1 54 54 GLY CA C 54 43.740 43.740 44.570 -0.830 26068 6197 1 13 . 1 1 54 54 GLY H H 54 6.690 6.690 7.766 -1.076 26068 6198 1 13 . 1 1 55 55 LYS N N 55 119.440 119.440 119.582 -0.142 26068 6199 1 13 . 1 1 55 55 LYS HA H 55 4.930 4.930 5.439 -0.509 26068 6200 1 13 . 1 1 55 55 LYS C C 55 174.340 174.340 174.749 -0.409 26068 6201 1 13 . 1 1 55 55 LYS CA C 55 54.190 54.190 54.449 -0.259 26068 6202 1 13 . 1 1 55 55 LYS CB C 55 33.660 33.660 36.173 -2.513 26068 6203 1 13 . 1 1 55 55 LYS H H 55 8.110 8.110 7.808 0.302 26068 6204 1 13 . 1 1 56 56 PHE N N 56 128.540 128.540 121.521 7.019 26068 6205 1 13 . 1 1 56 56 PHE HA H 56 5.170 5.170 4.927 0.243 26068 6206 1 13 . 1 1 56 56 PHE C C 56 174.040 174.040 174.594 -0.554 26068 6207 1 13 . 1 1 56 56 PHE CA C 56 56.140 56.140 57.448 -1.308 26068 6208 1 13 . 1 1 56 56 PHE CB C 56 41.100 41.100 40.527 0.573 26068 6209 1 13 . 1 1 56 56 PHE H H 56 9.420 9.420 9.215 0.205 26068 6210 1 13 . 1 1 57 57 LYS N N 57 120.820 120.820 121.039 -0.219 26068 6211 1 13 . 1 1 57 57 LYS HA H 57 5.030 5.030 5.239 -0.209 26068 6212 1 13 . 1 1 57 57 LYS C C 57 173.280 173.280 174.250 -0.970 26068 6213 1 13 . 1 1 57 57 LYS CA C 57 54.190 54.190 54.925 -0.735 26068 6214 1 13 . 1 1 57 57 LYS CB C 57 36.420 36.420 36.754 -0.334 26068 6215 1 13 . 1 1 57 57 LYS H H 57 9.060 9.060 8.807 0.253 26068 6216 1 13 . 1 1 58 58 LEU N N 58 125.690 125.690 119.233 6.457 26068 6217 1 13 . 1 1 58 58 LEU HA H 58 4.950 4.950 5.115 -0.165 26068 6218 1 13 . 1 1 58 58 LEU C C 58 175.180 175.180 176.879 -1.699 26068 6219 1 13 . 1 1 58 58 LEU CA C 58 52.890 52.890 53.839 -0.949 26068 6220 1 13 . 1 1 58 58 LEU CB C 58 42.320 42.320 44.214 -1.894 26068 6221 1 13 . 1 1 58 58 LEU H H 58 8.420 8.420 8.314 0.106 26068 6222 1 13 . 1 1 59 59 VAL N N 59 125.770 125.770 122.551 3.219 26068 6223 1 13 . 1 1 59 59 VAL HA H 59 4.540 4.540 4.373 0.167 26068 6224 1 13 . 1 1 59 59 VAL C C 59 174.690 174.690 174.789 -0.099 26068 6225 1 13 . 1 1 59 59 VAL CA C 59 59.780 59.780 61.399 -1.619 26068 6226 1 13 . 1 1 59 59 VAL CB C 59 32.950 32.950 34.197 -1.247 26068 6227 1 13 . 1 1 59 59 VAL H H 59 9.260 9.260 9.076 0.184 26068 6228 1 13 . 1 1 60 60 THR N N 60 119.180 119.180 119.268 -0.088 26068 6229 1 13 . 1 1 60 60 THR C C 60 174.250 174.250 173.734 0.516 26068 6230 1 13 . 1 1 60 60 THR CA C 60 60.740 60.740 60.687 0.053 26068 6231 1 13 . 1 1 60 60 THR CB C 60 65.260 65.260 70.621 -5.362 26068 6232 1 13 . 1 1 60 60 THR H H 60 8.480 8.480 8.436 0.044 26068 6233 1 13 . 1 1 61 61 THR N N 61 117.840 117.840 119.043 -1.203 26068 6234 1 13 . 1 1 61 61 THR C C 61 173.550 173.550 174.540 -0.990 26068 6235 1 13 . 1 1 61 61 THR CA C 61 59.290 59.290 61.018 -1.728 26068 6236 1 13 . 1 1 61 61 THR H H 61 8.610 8.610 8.778 -0.168 26068 6237 1 13 . 1 1 62 62 LYS N N 62 122.610 122.610 124.436 -1.826 26068 6238 1 13 . 1 1 62 62 LYS HA H 62 4.480 4.480 4.507 -0.027 26068 6239 1 13 . 1 1 62 62 LYS CA C 62 53.750 53.750 55.056 -1.306 26068 6240 1 13 . 1 1 62 62 LYS H H 62 8.380 8.380 8.477 -0.097 26068 6241 1 13 . 1 1 63 63 PRO C C 63 176.780 176.780 176.071 0.709 26068 6242 1 13 . 1 1 64 64 ARG N N 64 116.830 116.830 118.857 -2.027 26068 6243 1 13 . 1 1 64 64 ARG C C 64 177.070 177.070 174.876 2.194 26068 6244 1 13 . 1 1 64 64 ARG CA C 64 57.230 57.230 55.055 2.175 26068 6245 1 13 . 1 1 64 64 ARG H H 64 8.130 8.130 8.996 -0.866 26068 6246 1 13 . 1 1 65 65 THR N N 65 127.240 127.240 115.441 11.799 26068 6247 1 13 . 1 1 65 65 THR C C 65 173.780 173.780 173.262 0.518 26068 6248 1 13 . 1 1 65 65 THR CA C 65 60.680 60.680 60.905 -0.225 26068 6249 1 13 . 1 1 65 65 THR H H 65 7.370 7.370 8.322 -0.952 26068 6250 1 13 . 1 1 66 66 GLY N N 66 112.840 112.840 112.319 0.521 26068 6251 1 13 . 1 1 66 66 GLY C C 66 171.630 171.630 171.931 -0.301 26068 6252 1 13 . 1 1 66 66 GLY CA C 66 43.610 43.610 44.607 -0.997 26068 6253 1 13 . 1 1 66 66 GLY H H 66 8.760 8.760 8.254 0.506 26068 6254 1 13 . 1 1 67 67 ILE N N 67 119.560 119.560 116.674 2.886 26068 6255 1 13 . 1 1 67 67 ILE C C 67 175.110 175.110 174.449 0.661 26068 6256 1 13 . 1 1 67 67 ILE CA C 67 58.220 58.220 58.708 -0.487 26068 6257 1 13 . 1 1 67 67 ILE H H 67 8.310 8.310 8.205 0.105 26068 6258 1 13 . 1 1 68 68 ASN N N 68 127.190 127.190 122.432 4.758 26068 6259 1 13 . 1 1 68 68 ASN CA C 68 49.840 49.840 50.567 -0.727 26068 6260 1 13 . 1 1 68 68 ASN H H 68 8.750 8.750 8.270 0.480 26068 6261 1 13 . 1 1 70 70 LYS N N 70 128.540 128.540 117.998 10.542 26068 6262 1 13 . 1 1 70 70 LYS HA H 70 4.530 4.530 4.396 0.134 26068 6263 1 13 . 1 1 70 70 LYS CA C 70 57.270 57.270 56.998 0.272 26068 6264 1 13 . 1 1 70 70 LYS H H 70 8.870 8.870 8.500 0.370 26068 6265 1 13 . 1 1 71 71 THR C C 71 174.770 174.770 173.258 1.512 26068 6266 1 13 . 1 1 71 71 THR CA C 71 60.650 60.650 60.170 0.480 26068 6267 1 13 . 1 1 72 72 LYS N N 72 116.540 116.540 123.581 -7.041 26068 6268 1 13 . 1 1 72 72 LYS C C 72 174.500 174.500 175.577 -1.077 26068 6269 1 13 . 1 1 72 72 LYS CA C 72 56.710 56.710 56.811 -0.101 26068 6270 1 13 . 1 1 72 72 LYS H H 72 8.450 8.450 8.614 -0.164 26068 6271 1 13 . 1 1 73 73 GLN N N 73 117.620 117.620 122.668 -5.048 26068 6272 1 13 . 1 1 73 73 GLN HA H 73 4.200 4.200 4.532 -0.332 26068 6273 1 13 . 1 1 73 73 GLN C C 73 174.700 174.700 174.299 0.401 26068 6274 1 13 . 1 1 73 73 GLN CA C 73 54.250 54.250 54.580 -0.329 26068 6275 1 13 . 1 1 73 73 GLN H H 73 7.600 7.600 7.867 -0.267 26068 6276 1 13 . 1 1 74 74 LYS N N 74 122.530 122.530 123.105 -0.575 26068 6277 1 13 . 1 1 74 74 LYS C C 74 175.840 175.840 175.883 -0.043 26068 6278 1 13 . 1 1 74 74 LYS CA C 74 55.900 55.900 55.690 0.210 26068 6279 1 13 . 1 1 74 74 LYS H H 74 8.500 8.500 8.480 0.020 26068 6280 1 13 . 1 1 75 75 ILE N N 75 121.120 121.120 125.341 -4.221 26068 6281 1 13 . 1 1 75 75 ILE HA H 75 4.440 4.440 4.347 0.093 26068 6282 1 13 . 1 1 75 75 ILE C C 75 174.000 174.000 175.117 -1.117 26068 6283 1 13 . 1 1 75 75 ILE CA C 75 58.750 58.750 59.152 -0.402 26068 6284 1 13 . 1 1 75 75 ILE H H 75 8.480 8.480 9.000 -0.520 26068 6285 1 13 . 1 1 76 76 GLN N N 76 123.280 123.280 125.378 -2.098 26068 6286 1 13 . 1 1 76 76 GLN C C 76 174.000 174.000 175.186 -1.186 26068 6287 1 13 . 1 1 76 76 GLN CA C 76 54.220 54.220 53.958 0.262 26068 6288 1 13 . 1 1 76 76 GLN H H 76 8.510 8.510 8.656 -0.146 26068 6289 1 13 . 1 1 77 77 ILE N N 77 115.590 115.590 126.410 -10.820 26068 6290 1 13 . 1 1 77 77 ILE CA C 77 60.710 60.710 58.690 2.020 26068 6291 1 13 . 1 1 77 77 ILE H H 77 8.420 8.420 8.628 -0.208 26068 6292 1 13 . 1 1 78 78 PRO C C 78 176.070 176.070 176.137 -0.067 26068 6293 1 13 . 1 1 79 79 ALA N N 79 123.150 123.150 121.315 1.835 26068 6294 1 13 . 1 1 79 79 ALA HA H 79 3.990 3.990 4.336 -0.346 26068 6295 1 13 . 1 1 79 79 ALA C C 79 176.740 176.740 177.882 -1.142 26068 6296 1 13 . 1 1 79 79 ALA CA C 79 51.670 51.670 51.994 -0.324 26068 6297 1 13 . 1 1 79 79 ALA CB C 79 18.710 18.710 19.827 -1.117 26068 6298 1 13 . 1 1 79 79 ALA H H 79 8.490 8.490 8.122 0.368 26068 6299 1 13 . 1 1 80 80 GLY N N 80 109.540 109.540 110.018 -0.478 26068 6300 1 13 . 1 1 80 80 GLY C C 80 172.350 172.350 172.318 0.032 26068 6301 1 13 . 1 1 80 80 GLY CA C 80 43.650 43.650 44.523 -0.873 26068 6302 1 13 . 1 1 80 80 GLY H H 80 7.960 7.960 8.281 -0.321 26068 6303 1 13 . 1 1 81 81 LYS N N 81 120.310 120.310 120.802 -0.492 26068 6304 1 13 . 1 1 81 81 LYS C C 81 174.920 174.920 175.284 -0.364 26068 6305 1 13 . 1 1 81 81 LYS CA C 81 54.330 54.330 54.496 -0.166 26068 6306 1 13 . 1 1 81 81 LYS H H 81 8.330 8.330 8.147 0.183 26068 6307 1 13 . 1 1 82 82 LYS N N 82 121.710 121.710 120.886 0.824 26068 6308 1 13 . 1 1 82 82 LYS HA H 82 4.670 4.670 4.693 -0.023 26068 6309 1 13 . 1 1 82 82 LYS C C 82 173.360 173.360 174.702 -1.342 26068 6310 1 13 . 1 1 82 82 LYS CA C 82 53.910 53.910 55.040 -1.130 26068 6311 1 13 . 1 1 82 82 LYS CB C 82 35.200 35.200 35.714 -0.514 26068 6312 1 13 . 1 1 82 82 LYS H H 82 8.970 8.970 9.146 -0.176 26068 6313 1 13 . 1 1 83 83 ILE N N 83 123.310 123.310 123.268 0.042 26068 6314 1 13 . 1 1 83 83 ILE HA H 83 4.700 4.700 4.677 0.023 26068 6315 1 13 . 1 1 83 83 ILE C C 83 173.820 173.820 175.975 -2.155 26068 6316 1 13 . 1 1 83 83 ILE CA C 83 60.200 60.200 61.136 -0.936 26068 6317 1 13 . 1 1 83 83 ILE CB C 83 37.960 37.960 38.928 -0.968 26068 6318 1 13 . 1 1 83 83 ILE H H 83 8.470 8.470 8.585 -0.115 26068 6319 1 13 . 1 1 84 84 LYS N N 84 127.190 127.190 127.939 -0.749 26068 6320 1 13 . 1 1 84 84 LYS HA H 84 4.700 4.700 4.630 0.070 26068 6321 1 13 . 1 1 84 84 LYS C C 84 173.770 173.770 174.118 -0.348 26068 6322 1 13 . 1 1 84 84 LYS CA C 84 53.260 53.260 54.950 -1.690 26068 6323 1 13 . 1 1 84 84 LYS CB C 84 35.070 35.070 36.442 -1.372 26068 6324 1 13 . 1 1 84 84 LYS H H 84 9.160 9.160 8.934 0.226 26068 6325 1 13 . 1 1 85 85 LEU N N 85 125.120 125.120 126.166 -1.046 26068 6326 1 13 . 1 1 85 85 LEU HA H 85 4.690 4.690 4.936 -0.246 26068 6327 1 13 . 1 1 85 85 LEU C C 85 175.520 175.520 176.376 -0.856 26068 6328 1 13 . 1 1 85 85 LEU CA C 85 52.080 52.080 53.558 -1.478 26068 6329 1 13 . 1 1 85 85 LEU CB C 85 43.670 43.670 43.634 0.036 26068 6330 1 13 . 1 1 85 85 LEU H H 85 8.620 8.620 8.438 0.182 26068 6331 1 13 . 1 1 86 86 THR N N 86 124.610 124.610 118.033 6.577 26068 6332 1 13 . 1 1 86 86 THR HA H 86 4.550 4.550 4.505 0.045 26068 6333 1 13 . 1 1 86 86 THR C C 86 174.770 174.770 173.104 1.666 26068 6334 1 13 . 1 1 86 86 THR CA C 86 60.440 60.440 60.688 -0.248 26068 6335 1 13 . 1 1 86 86 THR CB C 86 68.040 68.040 71.083 -3.043 26068 6336 1 13 . 1 1 86 86 THR H H 86 8.770 8.770 8.368 0.402 26068 6337 1 13 . 1 1 87 87 VAL C C 87 174.810 174.810 175.683 -0.873 26068 6338 1 13 . 1 1 87 87 VAL CA C 87 63.170 63.170 60.853 2.317 26068 6339 1 13 . 1 1 88 88 SER N N 88 122.640 122.640 121.385 1.255 26068 6340 1 13 . 1 1 88 88 SER HA H 88 4.470 4.470 4.550 -0.080 26068 6341 1 13 . 1 1 88 88 SER CA C 88 56.790 56.790 57.330 -0.540 26068 6342 1 13 . 1 1 88 88 SER H H 88 8.330 8.330 8.617 -0.287 26068 6343 1 13 . 1 1 89 89 LYS C C 89 176.560 176.560 178.541 -1.981 26068 6344 1 13 . 1 1 90 90 ILE N N 90 117.640 117.640 118.316 -0.676 26068 6345 1 13 . 1 1 90 90 ILE HA H 90 3.700 3.700 3.942 -0.242 26068 6346 1 13 . 1 1 90 90 ILE C C 90 178.250 178.250 177.036 1.214 26068 6347 1 13 . 1 1 90 90 ILE CA C 90 63.200 63.200 62.513 0.687 26068 6348 1 13 . 1 1 90 90 ILE CB C 90 36.230 36.230 37.973 -1.743 26068 6349 1 13 . 1 1 90 90 ILE H H 90 7.930 7.930 8.097 -0.167 26068 6350 1 13 . 1 1 91 91 LEU N N 91 121.350 121.350 117.929 3.421 26068 6351 1 13 . 1 1 91 91 LEU HA H 91 4.210 4.210 4.608 -0.398 26068 6352 1 13 . 1 1 91 91 LEU C C 91 177.410 177.410 176.080 1.330 26068 6353 1 13 . 1 1 91 91 LEU CA C 91 56.750 56.750 55.041 1.709 26068 6354 1 13 . 1 1 91 91 LEU CB C 91 39.561 39.561 43.959 -4.398 26068 6355 1 13 . 1 1 91 91 LEU H H 91 7.380 7.380 7.873 -0.493 26068 6356 1 13 . 1 1 92 92 THR N N 92 113.940 113.940 113.908 0.032 26068 6357 1 13 . 1 1 92 92 THR HA H 92 3.670 3.670 4.724 -1.054 26068 6358 1 13 . 1 1 92 92 THR C C 92 176.170 176.170 173.417 2.753 26068 6359 1 13 . 1 1 92 92 THR CA C 92 66.150 66.150 62.248 3.902 26068 6360 1 13 . 1 1 92 92 THR CB C 92 66.950 66.950 69.135 -2.185 26068 6361 1 13 . 1 1 92 92 THR H H 92 7.780 7.780 7.807 -0.027 26068 6362 1 13 . 1 1 93 93 ASP N N 93 121.580 121.580 122.223 -0.643 26068 6363 1 13 . 1 1 93 93 ASP HA H 93 4.360 4.360 4.716 -0.356 26068 6364 1 13 . 1 1 93 93 ASP C C 93 178.020 178.020 175.332 2.688 26068 6365 1 13 . 1 1 93 93 ASP CA C 93 56.140 56.140 53.600 2.540 26068 6366 1 13 . 1 1 93 93 ASP CB C 93 38.730 38.730 41.890 -3.160 26068 6367 1 13 . 1 1 93 93 ASP H H 93 8.790 8.790 7.798 0.992 26068 6368 1 13 . 1 1 94 94 ALA N N 94 124.610 124.610 125.017 -0.407 26068 6369 1 13 . 1 1 94 94 ALA HA H 94 4.130 4.130 3.953 0.177 26068 6370 1 13 . 1 1 94 94 ALA C C 94 180.080 180.080 175.836 4.244 26068 6371 1 13 . 1 1 94 94 ALA CA C 94 54.120 54.120 53.200 0.920 26068 6372 1 13 . 1 1 94 94 ALA CB C 94 17.110 17.110 17.911 -0.801 26068 6373 1 13 . 1 1 94 94 ALA H H 94 8.050 8.050 7.983 0.067 26068 6374 1 13 . 1 1 95 95 VAL N N 95 119.040 119.040 116.287 2.753 26068 6375 1 13 . 1 1 95 95 VAL HA H 95 3.650 3.650 4.422 -0.772 26068 6376 1 13 . 1 1 95 95 VAL C C 95 177.260 177.260 175.350 1.910 26068 6377 1 13 . 1 1 95 95 VAL CA C 95 65.350 65.350 61.279 4.071 26068 6378 1 13 . 1 1 95 95 VAL CB C 95 30.640 30.640 34.086 -3.446 26068 6379 1 13 . 1 1 95 95 VAL H H 95 8.110 8.110 7.532 0.578 26068 6380 1 13 . 1 1 96 96 ASP N N 96 119.550 119.550 123.342 -3.792 26068 6381 1 13 . 1 1 96 96 ASP HA H 96 4.460 4.460 4.340 0.120 26068 6382 1 13 . 1 1 96 96 ASP C C 96 176.710 176.710 176.090 0.620 26068 6383 1 13 . 1 1 96 96 ASP CA C 96 55.790 55.790 57.097 -1.307 26068 6384 1 13 . 1 1 96 96 ASP CB C 96 40.140 40.140 40.063 0.077 26068 6385 1 13 . 1 1 96 96 ASP H H 96 7.970 7.970 8.815 -0.845 26068 6386 1 13 . 1 1 97 97 SER N N 97 112.600 112.600 116.262 -3.662 26068 6387 1 13 . 1 1 97 97 SER HA H 97 4.420 4.420 4.368 0.052 26068 6388 1 13 . 1 1 97 97 SER CA C 97 58.290 58.290 59.632 -1.342 26068 6389 1 13 . 1 1 97 97 SER CB C 97 62.720 62.720 64.915 -2.195 26068 6390 1 13 . 1 1 97 97 SER H H 97 7.870 7.870 8.472 -0.602 26068 6391 1 13 . 1 1 98 98 HIS N N 98 122.580 122.580 122.887 -0.307 26068 6392 1 13 . 1 1 98 98 HIS HA H 98 4.090 4.090 4.769 -0.679 26068 6393 1 13 . 1 1 98 98 HIS C C 98 173.400 173.400 172.555 0.845 26068 6394 1 13 . 1 1 98 98 HIS CA C 98 57.400 57.400 55.252 2.148 26068 6395 1 13 . 1 1 98 98 HIS CB C 98 29.810 29.810 30.081 -0.272 26068 6396 1 13 . 1 1 98 98 HIS H H 98 7.340 7.340 7.629 -0.289 26068 6397 1 14 . 1 1 2 2 ALA N N 2 125.690 125.690 124.810 0.880 26068 6398 1 14 . 1 1 2 2 ALA C C 2 176.530 176.530 176.366 0.164 26068 6399 1 14 . 1 1 2 2 ALA CA C 2 51.730 51.730 51.542 0.188 26068 6400 1 14 . 1 1 2 2 ALA H H 2 8.250 8.250 8.514 -0.264 26068 6401 1 14 . 1 1 3 3 LYS N N 3 121.040 121.040 121.577 -0.537 26068 6402 1 14 . 1 1 3 3 LYS C C 3 175.520 175.520 175.232 0.288 26068 6403 1 14 . 1 1 3 3 LYS CA C 3 55.230 55.230 56.017 -0.787 26068 6404 1 14 . 1 1 3 3 LYS H H 3 8.210 8.210 8.377 -0.167 26068 6405 1 14 . 1 1 4 4 ILE N N 4 122.490 122.490 124.232 -1.742 26068 6406 1 14 . 1 1 4 4 ILE HA H 4 4.180 4.180 4.223 -0.043 26068 6407 1 14 . 1 1 4 4 ILE C C 4 174.950 174.950 175.818 -0.868 26068 6408 1 14 . 1 1 4 4 ILE CA C 4 59.870 59.870 60.827 -0.957 26068 6409 1 14 . 1 1 4 4 ILE H H 4 8.170 8.170 8.505 -0.335 26068 6410 1 14 . 1 1 5 5 LYS N N 5 126.600 126.600 128.094 -1.494 26068 6411 1 14 . 1 1 5 5 LYS C C 5 174.330 174.330 176.259 -1.929 26068 6412 1 14 . 1 1 5 5 LYS CA C 5 55.060 55.060 55.975 -0.915 26068 6413 1 14 . 1 1 5 5 LYS H H 5 8.320 8.320 8.441 -0.121 26068 6414 1 14 . 1 1 6 6 SER N N 6 118.400 118.400 120.477 -2.077 26068 6415 1 14 . 1 1 6 6 SER C C 6 174.220 174.220 173.956 0.264 26068 6416 1 14 . 1 1 6 6 SER CA C 6 56.300 56.300 58.284 -1.984 26068 6417 1 14 . 1 1 6 6 SER H H 6 8.200 8.200 8.475 -0.275 26068 6418 1 14 . 1 1 7 7 LEU N N 7 125.400 125.400 121.012 4.388 26068 6419 1 14 . 1 1 7 7 LEU C C 7 177.730 177.730 175.001 2.729 26068 6420 1 14 . 1 1 7 7 LEU CA C 7 54.950 54.950 55.169 -0.219 26068 6421 1 14 . 1 1 7 7 LEU CB C 7 42.000 42.000 42.816 -0.816 26068 6422 1 14 . 1 1 7 7 LEU H H 7 9.050 9.050 8.256 0.794 26068 6423 1 14 . 1 1 8 8 SER N N 8 124.870 124.870 114.803 10.067 26068 6424 1 14 . 1 1 8 8 SER HA H 8 4.510 4.510 4.546 -0.036 26068 6425 1 14 . 1 1 8 8 SER C C 8 173.810 173.810 175.306 -1.496 26068 6426 1 14 . 1 1 8 8 SER CA C 8 56.740 56.740 58.059 -1.319 26068 6427 1 14 . 1 1 8 8 SER CB C 8 64.390 64.390 63.569 0.821 26068 6428 1 14 . 1 1 8 8 SER H H 8 9.140 9.140 8.121 1.019 26068 6429 1 14 . 1 1 9 9 ALA N N 9 124.340 124.340 124.929 -0.589 26068 6430 1 14 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.228 0.172 26068 6431 1 14 . 1 1 9 9 ALA C C 9 178.940 178.940 179.418 -0.478 26068 6432 1 14 . 1 1 9 9 ALA CA C 9 54.940 54.940 54.553 0.387 26068 6433 1 14 . 1 1 9 9 ALA H H 9 8.710 8.710 8.457 0.253 26068 6434 1 14 . 1 1 10 10 ALA N N 10 117.990 117.990 121.156 -3.166 26068 6435 1 14 . 1 1 10 10 ALA C C 10 180.600 180.600 179.880 0.720 26068 6436 1 14 . 1 1 10 10 ALA CA C 10 54.380 54.380 54.788 -0.409 26068 6437 1 14 . 1 1 10 10 ALA CB C 10 17.240 17.240 18.380 -1.140 26068 6438 1 14 . 1 1 10 10 ALA H H 10 8.380 8.380 8.284 0.096 26068 6439 1 14 . 1 1 11 11 GLU N N 11 118.900 118.900 117.748 1.152 26068 6440 1 14 . 1 1 11 11 GLU HA H 11 4.040 4.040 4.072 -0.032 26068 6441 1 14 . 1 1 11 11 GLU C C 11 177.770 177.770 178.231 -0.461 26068 6442 1 14 . 1 1 11 11 GLU CA C 11 58.210 58.210 59.001 -0.791 26068 6443 1 14 . 1 1 11 11 GLU CB C 11 29.310 29.310 29.545 -0.235 26068 6444 1 14 . 1 1 11 11 GLU H H 11 7.780 7.780 7.846 -0.066 26068 6445 1 14 . 1 1 12 12 TYR N N 12 125.590 125.590 119.519 6.071 26068 6446 1 14 . 1 1 12 12 TYR C C 12 179.280 179.280 177.540 1.740 26068 6447 1 14 . 1 1 12 12 TYR CA C 12 59.690 59.690 61.375 -1.685 26068 6448 1 14 . 1 1 12 12 TYR CB C 12 37.530 37.530 38.266 -0.736 26068 6449 1 14 . 1 1 12 12 TYR H H 12 8.800 8.800 7.520 1.280 26068 6450 1 14 . 1 1 13 13 LEU N N 13 118.240 118.240 116.856 1.384 26068 6451 1 14 . 1 1 13 13 LEU HA H 13 4.130 4.130 3.836 0.294 26068 6452 1 14 . 1 1 13 13 LEU C C 13 177.790 177.790 178.533 -0.743 26068 6453 1 14 . 1 1 13 13 LEU CA C 13 58.180 58.180 56.837 1.343 26068 6454 1 14 . 1 1 13 13 LEU CB C 13 41.290 41.290 41.661 -0.371 26068 6455 1 14 . 1 1 13 13 LEU H H 13 8.770 8.770 7.508 1.262 26068 6456 1 14 . 1 1 14 14 LYS N N 14 118.870 118.870 117.719 1.151 26068 6457 1 14 . 1 1 14 14 LYS HA H 14 3.980 3.980 4.047 -0.067 26068 6458 1 14 . 1 1 14 14 LYS C C 14 177.090 177.090 178.125 -1.035 26068 6459 1 14 . 1 1 14 14 LYS CA C 14 58.610 58.610 58.839 -0.229 26068 6460 1 14 . 1 1 14 14 LYS CB C 14 31.220 31.220 32.422 -1.202 26068 6461 1 14 . 1 1 14 14 LYS H H 14 7.790 7.790 7.797 -0.007 26068 6462 1 14 . 1 1 15 15 GLU N N 15 119.560 119.560 118.825 0.735 26068 6463 1 14 . 1 1 15 15 GLU HA H 15 4.050 4.050 4.323 -0.273 26068 6464 1 14 . 1 1 15 15 GLU C C 15 179.660 179.660 178.235 1.425 26068 6465 1 14 . 1 1 15 15 GLU CA C 15 59.260 59.260 57.820 1.440 26068 6466 1 14 . 1 1 15 15 GLU CB C 15 28.010 28.010 30.299 -2.289 26068 6467 1 14 . 1 1 15 15 GLU H H 15 8.330 8.330 7.535 0.795 26068 6468 1 14 . 1 1 16 16 MET N N 16 116.760 116.760 119.653 -2.893 26068 6469 1 14 . 1 1 16 16 MET HA H 16 4.420 4.420 4.589 -0.169 26068 6470 1 14 . 1 1 16 16 MET C C 16 178.960 178.960 176.259 2.701 26068 6471 1 14 . 1 1 16 16 MET CA C 16 58.200 58.200 53.257 4.944 26068 6472 1 14 . 1 1 16 16 MET CB C 16 34.370 34.370 30.567 3.803 26068 6473 1 14 . 1 1 16 16 MET H H 16 7.940 7.940 7.936 0.004 26068 6474 1 14 . 1 1 17 17 ALA N N 17 128.000 128.000 123.393 4.607 26068 6475 1 14 . 1 1 17 17 ALA HA H 17 4.210 4.210 3.976 0.234 26068 6476 1 14 . 1 1 17 17 ALA C C 17 179.620 179.620 179.012 0.608 26068 6477 1 14 . 1 1 17 17 ALA CA C 17 54.760 54.760 55.065 -0.305 26068 6478 1 14 . 1 1 17 17 ALA CB C 17 17.750 17.750 18.405 -0.655 26068 6479 1 14 . 1 1 17 17 ALA H H 17 8.820 8.820 7.236 1.584 26068 6480 1 14 . 1 1 18 18 ASP N N 18 119.660 119.660 117.078 2.582 26068 6481 1 14 . 1 1 18 18 ASP HA H 18 4.420 4.420 4.418 0.002 26068 6482 1 14 . 1 1 18 18 ASP C C 18 177.750 177.750 177.557 0.193 26068 6483 1 14 . 1 1 18 18 ASP CA C 18 55.790 55.790 56.054 -0.264 26068 6484 1 14 . 1 1 18 18 ASP CB C 18 38.980 38.980 40.983 -2.003 26068 6485 1 14 . 1 1 18 18 ASP H H 18 8.770 8.770 8.366 0.404 26068 6486 1 14 . 1 1 19 19 GLU N N 19 117.150 117.150 116.960 0.190 26068 6487 1 14 . 1 1 19 19 GLU HA H 19 4.190 4.190 4.410 -0.220 26068 6488 1 14 . 1 1 19 19 GLU C C 19 177.540 177.540 176.337 1.203 26068 6489 1 14 . 1 1 19 19 GLU CA C 19 57.750 57.750 56.912 0.838 26068 6490 1 14 . 1 1 19 19 GLU CB C 19 29.360 29.360 31.561 -2.201 26068 6491 1 14 . 1 1 19 19 GLU H H 19 7.620 7.620 7.782 -0.162 26068 6492 1 14 . 1 1 20 20 THR N N 20 105.730 105.730 112.872 -7.142 26068 6493 1 14 . 1 1 20 20 THR HA H 20 4.120 4.120 4.877 -0.757 26068 6494 1 14 . 1 1 20 20 THR C C 20 174.800 174.800 173.556 1.244 26068 6495 1 14 . 1 1 20 20 THR CA C 20 62.200 62.200 60.870 1.330 26068 6496 1 14 . 1 1 20 20 THR CB C 20 70.870 70.870 69.174 1.696 26068 6497 1 14 . 1 1 20 20 THR H H 20 7.900 7.900 8.064 -0.164 26068 6498 1 14 . 1 1 21 21 ASN N N 21 116.950 116.950 123.730 -6.780 26068 6499 1 14 . 1 1 21 21 ASN HA H 21 4.390 4.390 4.789 -0.399 26068 6500 1 14 . 1 1 21 21 ASN C C 21 173.060 173.060 175.925 -2.865 26068 6501 1 14 . 1 1 21 21 ASN CA C 21 54.210 54.210 54.001 0.209 26068 6502 1 14 . 1 1 21 21 ASN CB C 21 36.870 36.870 38.936 -2.066 26068 6503 1 14 . 1 1 21 21 ASN H H 21 8.460 8.460 8.023 0.437 26068 6504 1 14 . 1 1 22 22 ILE N N 22 121.830 121.830 120.099 1.731 26068 6505 1 14 . 1 1 22 22 ILE HA H 22 4.140 4.140 3.993 0.147 26068 6506 1 14 . 1 1 22 22 ILE C C 22 174.780 174.780 176.439 -1.659 26068 6507 1 14 . 1 1 22 22 ILE CA C 22 59.100 59.100 63.584 -4.484 26068 6508 1 14 . 1 1 22 22 ILE CB C 22 37.060 37.060 38.421 -1.361 26068 6509 1 14 . 1 1 22 22 ILE H H 22 7.680 7.680 8.097 -0.417 26068 6510 1 14 . 1 1 23 23 LYS N N 23 124.750 124.750 119.611 5.139 26068 6511 1 14 . 1 1 23 23 LYS HA H 23 4.140 4.140 4.446 -0.306 26068 6512 1 14 . 1 1 23 23 LYS C C 23 178.550 178.550 174.289 4.261 26068 6513 1 14 . 1 1 23 23 LYS CA C 23 55.940 55.940 55.829 0.111 26068 6514 1 14 . 1 1 23 23 LYS CB C 23 31.670 31.670 34.063 -2.393 26068 6515 1 14 . 1 1 23 23 LYS H H 23 8.510 8.510 7.481 1.029 26068 6516 1 14 . 1 1 24 24 VAL N N 24 122.570 122.570 124.808 -2.238 26068 6517 1 14 . 1 1 24 24 VAL C C 24 176.350 176.350 175.698 0.652 26068 6518 1 14 . 1 1 24 24 VAL CA C 24 66.090 66.090 64.348 1.742 26068 6519 1 14 . 1 1 24 24 VAL CB C 24 30.640 30.640 32.920 -2.280 26068 6520 1 14 . 1 1 24 24 VAL H H 24 8.800 8.800 8.692 0.108 26068 6521 1 14 . 1 1 25 25 GLN N N 25 117.730 117.730 120.119 -2.389 26068 6522 1 14 . 1 1 25 25 GLN C C 25 177.420 177.420 177.898 -0.478 26068 6523 1 14 . 1 1 25 25 GLN CA C 25 58.500 58.500 58.554 -0.054 26068 6524 1 14 . 1 1 25 25 GLN CB C 25 26.800 26.800 28.256 -1.456 26068 6525 1 14 . 1 1 25 25 GLN H H 25 8.950 8.950 8.492 0.459 26068 6526 1 14 . 1 1 26 26 ASP N N 26 120.360 120.360 118.972 1.388 26068 6527 1 14 . 1 1 26 26 ASP HA H 26 4.610 4.610 4.508 0.102 26068 6528 1 14 . 1 1 26 26 ASP C C 26 177.320 177.320 177.896 -0.576 26068 6529 1 14 . 1 1 26 26 ASP CA C 26 55.980 55.980 56.678 -0.698 26068 6530 1 14 . 1 1 26 26 ASP CB C 26 39.240 39.240 40.167 -0.927 26068 6531 1 14 . 1 1 26 26 ASP H H 26 7.100 7.100 8.634 -1.534 26068 6532 1 14 . 1 1 27 27 ILE N N 27 120.730 120.730 118.395 2.335 26068 6533 1 14 . 1 1 27 27 ILE C C 27 177.470 177.470 177.403 0.067 26068 6534 1 14 . 1 1 27 27 ILE CA C 27 65.110 65.110 63.668 1.442 26068 6535 1 14 . 1 1 27 27 ILE CB C 27 35.840 35.840 37.098 -1.258 26068 6536 1 14 . 1 1 27 27 ILE H H 27 7.950 7.950 8.101 -0.151 26068 6537 1 14 . 1 1 28 28 ARG N N 28 118.340 118.340 119.211 -0.871 26068 6538 1 14 . 1 1 28 28 ARG C C 28 178.150 178.150 179.034 -0.884 26068 6539 1 14 . 1 1 28 28 ARG CA C 28 59.040 59.040 59.306 -0.266 26068 6540 1 14 . 1 1 28 28 ARG CB C 28 28.910 28.910 29.884 -0.973 26068 6541 1 14 . 1 1 28 28 ARG H H 28 8.640 8.640 7.534 1.106 26068 6542 1 14 . 1 1 29 29 LEU N N 29 119.800 119.800 119.233 0.567 26068 6543 1 14 . 1 1 29 29 LEU HA H 29 4.050 4.050 4.065 -0.015 26068 6544 1 14 . 1 1 29 29 LEU C C 29 178.970 178.970 178.634 0.336 26068 6545 1 14 . 1 1 29 29 LEU CA C 29 57.150 57.150 57.626 -0.475 26068 6546 1 14 . 1 1 29 29 LEU CB C 29 40.840 40.840 41.493 -0.653 26068 6547 1 14 . 1 1 29 29 LEU H H 29 7.340 7.340 7.642 -0.302 26068 6548 1 14 . 1 1 30 30 VAL N N 30 120.200 120.200 119.202 0.998 26068 6549 1 14 . 1 1 30 30 VAL HA H 30 3.410 3.410 3.846 -0.436 26068 6550 1 14 . 1 1 30 30 VAL C C 30 176.580 176.580 178.552 -1.972 26068 6551 1 14 . 1 1 30 30 VAL CA C 30 66.490 66.490 65.786 0.704 26068 6552 1 14 . 1 1 30 30 VAL CB C 30 30.390 30.390 31.407 -1.017 26068 6553 1 14 . 1 1 30 30 VAL H H 30 7.930 7.930 7.575 0.355 26068 6554 1 14 . 1 1 31 31 VAL N N 31 119.110 119.110 120.897 -1.787 26068 6555 1 14 . 1 1 31 31 VAL HA H 31 3.210 3.210 3.619 -0.409 26068 6556 1 14 . 1 1 31 31 VAL C C 31 177.750 177.750 178.059 -0.309 26068 6557 1 14 . 1 1 31 31 VAL CA C 31 66.040 66.040 66.080 -0.040 26068 6558 1 14 . 1 1 31 31 VAL CB C 31 29.870 29.870 30.668 -0.798 26068 6559 1 14 . 1 1 31 31 VAL H H 31 8.520 8.520 8.088 0.432 26068 6560 1 14 . 1 1 32 32 THR N N 32 118.400 118.400 115.579 2.821 26068 6561 1 14 . 1 1 32 32 THR C C 32 175.680 175.680 176.451 -0.771 26068 6562 1 14 . 1 1 32 32 THR CA C 32 66.440 66.440 66.885 -0.445 26068 6563 1 14 . 1 1 32 32 THR CB C 32 67.470 67.470 68.426 -0.956 26068 6564 1 14 . 1 1 32 32 THR H H 32 8.220 8.220 8.268 -0.048 26068 6565 1 14 . 1 1 33 33 SER N N 33 118.470 118.470 117.307 1.163 26068 6566 1 14 . 1 1 33 33 SER HA H 33 4.330 4.330 4.294 0.036 26068 6567 1 14 . 1 1 33 33 SER C C 33 175.560 175.560 176.270 -0.710 26068 6568 1 14 . 1 1 33 33 SER CA C 33 60.860 60.860 61.457 -0.597 26068 6569 1 14 . 1 1 33 33 SER CB C 33 62.720 62.720 62.639 0.081 26068 6570 1 14 . 1 1 33 33 SER H H 33 7.820 7.820 8.491 -0.671 26068 6571 1 14 . 1 1 34 34 LEU N N 34 120.790 120.790 121.932 -1.142 26068 6572 1 14 . 1 1 34 34 LEU C C 34 180.120 180.120 178.721 1.399 26068 6573 1 14 . 1 1 34 34 LEU CA C 34 58.680 58.680 56.969 1.711 26068 6574 1 14 . 1 1 34 34 LEU CB C 34 41.870 41.870 41.688 0.182 26068 6575 1 14 . 1 1 34 34 LEU H H 34 8.940 8.940 7.311 1.629 26068 6576 1 14 . 1 1 35 35 GLN N N 35 117.680 117.680 118.537 -0.857 26068 6577 1 14 . 1 1 35 35 GLN HA H 35 3.800 3.800 4.040 -0.240 26068 6578 1 14 . 1 1 35 35 GLN C C 35 176.160 176.160 178.173 -2.013 26068 6579 1 14 . 1 1 35 35 GLN CA C 35 58.910 58.910 57.820 1.090 26068 6580 1 14 . 1 1 35 35 GLN CB C 35 29.040 29.040 28.092 0.948 26068 6581 1 14 . 1 1 35 35 GLN H H 35 7.670 7.670 7.617 0.053 26068 6582 1 14 . 1 1 36 36 LYS N N 36 124.070 124.070 119.488 4.582 26068 6583 1 14 . 1 1 36 36 LYS HA H 36 4.000 4.000 4.042 -0.042 26068 6584 1 14 . 1 1 36 36 LYS C C 36 178.720 178.720 177.641 1.079 26068 6585 1 14 . 1 1 36 36 LYS CA C 36 59.100 59.100 59.118 -0.018 26068 6586 1 14 . 1 1 36 36 LYS CB C 36 31.480 31.480 32.367 -0.887 26068 6587 1 14 . 1 1 36 36 LYS H H 36 8.100 8.100 7.934 0.166 26068 6588 1 14 . 1 1 37 37 VAL N N 37 120.470 120.470 117.939 2.531 26068 6589 1 14 . 1 1 37 37 VAL HA H 37 3.420 3.420 3.866 -0.446 26068 6590 1 14 . 1 1 37 37 VAL C C 37 176.250 176.250 177.608 -1.358 26068 6591 1 14 . 1 1 37 37 VAL CA C 37 65.610 65.610 64.657 0.953 26068 6592 1 14 . 1 1 37 37 VAL H H 37 8.560 8.560 7.449 1.111 26068 6593 1 14 . 1 1 38 38 LEU N N 38 119.990 119.990 120.684 -0.694 26068 6594 1 14 . 1 1 38 38 LEU C C 38 176.920 176.920 178.855 -1.935 26068 6595 1 14 . 1 1 38 38 LEU CA C 38 57.720 57.720 58.077 -0.357 26068 6596 1 14 . 1 1 38 38 LEU CB C 38 41.040 41.040 41.370 -0.330 26068 6597 1 14 . 1 1 38 38 LEU H H 38 7.120 7.120 7.657 -0.537 26068 6598 1 14 . 1 1 39 39 ALA N N 39 117.870 117.870 118.776 -0.906 26068 6599 1 14 . 1 1 39 39 ALA HA H 39 3.780 3.780 3.994 -0.214 26068 6600 1 14 . 1 1 39 39 ALA C C 39 177.770 177.770 178.912 -1.142 26068 6601 1 14 . 1 1 39 39 ALA CA C 39 53.910 53.910 54.569 -0.659 26068 6602 1 14 . 1 1 39 39 ALA CB C 39 17.370 17.370 18.235 -0.865 26068 6603 1 14 . 1 1 39 39 ALA H H 39 7.540 7.540 8.470 -0.930 26068 6604 1 14 . 1 1 40 40 LYS N N 40 117.340 117.340 119.371 -2.031 26068 6605 1 14 . 1 1 40 40 LYS HA H 40 3.220 3.220 4.081 -0.861 26068 6606 1 14 . 1 1 40 40 LYS C C 40 179.390 179.390 178.679 0.711 26068 6607 1 14 . 1 1 40 40 LYS CA C 40 58.170 58.170 59.159 -0.989 26068 6608 1 14 . 1 1 40 40 LYS CB C 40 29.750 29.750 32.516 -2.766 26068 6609 1 14 . 1 1 40 40 LYS H H 40 7.760 7.760 7.637 0.123 26068 6610 1 14 . 1 1 41 41 GLU N N 41 119.510 119.510 121.101 -1.591 26068 6611 1 14 . 1 1 41 41 GLU HA H 41 3.900 3.900 4.140 -0.240 26068 6612 1 14 . 1 1 41 41 GLU C C 41 179.390 179.390 179.196 0.194 26068 6613 1 14 . 1 1 41 41 GLU CA C 41 57.850 57.850 59.089 -1.239 26068 6614 1 14 . 1 1 41 41 GLU CB C 41 28.720 28.720 29.317 -0.597 26068 6615 1 14 . 1 1 41 41 GLU H H 41 8.810 8.810 7.646 1.164 26068 6616 1 14 . 1 1 42 42 LEU N N 42 120.430 120.430 118.750 1.680 26068 6617 1 14 . 1 1 42 42 LEU HA H 42 3.670 3.670 4.009 -0.339 26068 6618 1 14 . 1 1 42 42 LEU C C 42 176.370 176.370 178.963 -2.593 26068 6619 1 14 . 1 1 42 42 LEU CA C 42 57.650 57.650 57.617 0.033 26068 6620 1 14 . 1 1 42 42 LEU CB C 42 41.040 41.040 41.787 -0.747 26068 6621 1 14 . 1 1 42 42 LEU H H 42 8.200 8.200 7.661 0.539 26068 6622 1 14 . 1 1 43 43 ALA N N 43 117.000 117.000 119.733 -2.733 26068 6623 1 14 . 1 1 43 43 ALA HA H 43 4.030 4.030 4.127 -0.097 26068 6624 1 14 . 1 1 43 43 ALA C C 43 177.510 177.510 179.478 -1.968 26068 6625 1 14 . 1 1 43 43 ALA CA C 43 53.130 53.130 54.539 -1.409 26068 6626 1 14 . 1 1 43 43 ALA CB C 43 19.230 19.230 18.713 0.516 26068 6627 1 14 . 1 1 43 43 ALA H H 43 7.850 7.850 7.601 0.249 26068 6628 1 14 . 1 1 44 44 THR N N 44 107.520 107.520 109.159 -1.639 26068 6629 1 14 . 1 1 44 44 THR HA H 44 4.370 4.370 4.194 0.176 26068 6630 1 14 . 1 1 44 44 THR C C 44 174.160 174.160 175.498 -1.338 26068 6631 1 14 . 1 1 44 44 THR CA C 44 61.030 61.030 63.464 -2.434 26068 6632 1 14 . 1 1 44 44 THR CB C 44 69.200 69.200 69.081 0.119 26068 6633 1 14 . 1 1 44 44 THR H H 44 7.570 7.570 7.765 -0.195 26068 6634 1 14 . 1 1 45 45 THR N N 45 120.020 120.020 115.798 4.222 26068 6635 1 14 . 1 1 45 45 THR HA H 45 4.170 4.170 4.015 0.155 26068 6636 1 14 . 1 1 45 45 THR C C 45 175.160 175.160 173.735 1.425 26068 6637 1 14 . 1 1 45 45 THR CA C 45 63.160 63.160 63.644 -0.484 26068 6638 1 14 . 1 1 45 45 THR CB C 45 68.750 68.750 67.433 1.317 26068 6639 1 14 . 1 1 45 45 THR H H 45 8.690 8.690 8.013 0.677 26068 6640 1 14 . 1 1 46 46 GLY N N 46 108.110 108.110 109.462 -1.352 26068 6641 1 14 . 1 1 46 46 GLY C C 46 171.890 171.890 172.067 -0.177 26068 6642 1 14 . 1 1 46 46 GLY CA C 46 44.600 44.600 43.877 0.723 26068 6643 1 14 . 1 1 46 46 GLY H H 46 8.300 8.300 8.075 0.225 26068 6644 1 14 . 1 1 47 47 GLU N N 47 115.320 115.320 119.959 -4.639 26068 6645 1 14 . 1 1 47 47 GLU HA H 47 5.330 5.330 5.097 0.233 26068 6646 1 14 . 1 1 47 47 GLU C C 47 173.280 173.280 175.206 -1.926 26068 6647 1 14 . 1 1 47 47 GLU CA C 47 54.060 54.060 55.382 -1.322 26068 6648 1 14 . 1 1 47 47 GLU CB C 47 32.280 32.280 33.181 -0.901 26068 6649 1 14 . 1 1 47 47 GLU H H 47 7.210 7.210 8.436 -1.226 26068 6650 1 14 . 1 1 48 48 VAL N N 48 118.460 118.460 125.850 -7.390 26068 6651 1 14 . 1 1 48 48 VAL HA H 48 4.450 4.450 4.483 -0.033 26068 6652 1 14 . 1 1 48 48 VAL C C 48 171.500 171.500 174.793 -3.293 26068 6653 1 14 . 1 1 48 48 VAL CA C 48 60.080 60.080 61.298 -1.218 26068 6654 1 14 . 1 1 48 48 VAL CB C 48 32.510 32.510 33.959 -1.449 26068 6655 1 14 . 1 1 48 48 VAL H H 48 8.810 8.810 9.271 -0.461 26068 6656 1 14 . 1 1 49 49 ARG N N 49 129.960 129.960 127.076 2.884 26068 6657 1 14 . 1 1 49 49 ARG HA H 49 4.700 4.700 4.508 0.192 26068 6658 1 14 . 1 1 49 49 ARG C C 49 173.520 173.520 175.819 -2.299 26068 6659 1 14 . 1 1 49 49 ARG CA C 49 54.960 54.960 55.239 -0.279 26068 6660 1 14 . 1 1 49 49 ARG CB C 49 29.170 29.170 31.664 -2.494 26068 6661 1 14 . 1 1 49 49 ARG H H 49 9.510 9.510 8.674 0.836 26068 6662 1 14 . 1 1 50 50 LEU N N 50 129.550 129.550 124.626 4.924 26068 6663 1 14 . 1 1 50 50 LEU HA H 50 4.440 4.440 4.665 -0.225 26068 6664 1 14 . 1 1 50 50 LEU C C 50 171.890 171.890 176.953 -5.063 26068 6665 1 14 . 1 1 50 50 LEU CA C 50 51.100 51.100 54.163 -3.063 26068 6666 1 14 . 1 1 50 50 LEU CB C 50 41.740 41.740 43.016 -1.276 26068 6667 1 14 . 1 1 50 50 LEU H H 50 8.960 8.960 8.558 0.402 26068 6668 1 14 . 1 1 51 51 PHE N N 51 122.720 122.720 122.501 0.219 26068 6669 1 14 . 1 1 51 51 PHE HA H 51 3.750 3.750 4.340 -0.590 26068 6670 1 14 . 1 1 51 51 PHE C C 51 173.520 173.520 176.595 -3.075 26068 6671 1 14 . 1 1 51 51 PHE CA C 51 59.750 59.750 59.475 0.275 26068 6672 1 14 . 1 1 51 51 PHE CB C 51 36.610 36.610 39.276 -2.666 26068 6673 1 14 . 1 1 51 51 PHE H H 51 7.960 7.960 8.714 -0.754 26068 6674 1 14 . 1 1 52 52 ASP N N 52 122.670 122.670 126.035 -3.365 26068 6675 1 14 . 1 1 52 52 ASP HA H 52 5.070 5.070 4.019 1.051 26068 6676 1 14 . 1 1 52 52 ASP C C 52 175.160 175.160 176.602 -1.442 26068 6677 1 14 . 1 1 52 52 ASP CA C 52 53.380 53.380 56.688 -3.308 26068 6678 1 14 . 1 1 52 52 ASP CB C 52 39.950 39.950 40.013 -0.063 26068 6679 1 14 . 1 1 52 52 ASP H H 52 8.690 8.690 8.582 0.108 26068 6680 1 14 . 1 1 53 53 ILE N N 53 121.190 121.190 119.837 1.353 26068 6681 1 14 . 1 1 53 53 ILE HA H 53 3.980 3.980 3.692 0.288 26068 6682 1 14 . 1 1 53 53 ILE C C 53 174.950 174.950 176.305 -1.355 26068 6683 1 14 . 1 1 53 53 ILE CA C 53 63.530 63.530 64.058 -0.528 26068 6684 1 14 . 1 1 53 53 ILE CB C 53 37.000 37.000 38.796 -1.796 26068 6685 1 14 . 1 1 53 53 ILE H H 53 8.710 8.710 8.106 0.604 26068 6686 1 14 . 1 1 54 54 GLY N N 54 101.400 101.400 103.634 -2.234 26068 6687 1 14 . 1 1 54 54 GLY C C 54 169.840 169.840 171.817 -1.977 26068 6688 1 14 . 1 1 54 54 GLY CA C 54 43.740 43.740 44.180 -0.440 26068 6689 1 14 . 1 1 54 54 GLY H H 54 6.690 6.690 7.317 -0.627 26068 6690 1 14 . 1 1 55 55 LYS N N 55 119.440 119.440 118.316 1.124 26068 6691 1 14 . 1 1 55 55 LYS HA H 55 4.930 4.930 5.313 -0.383 26068 6692 1 14 . 1 1 55 55 LYS C C 55 174.340 174.340 174.694 -0.354 26068 6693 1 14 . 1 1 55 55 LYS CA C 55 54.190 54.190 54.273 -0.083 26068 6694 1 14 . 1 1 55 55 LYS CB C 55 33.660 33.660 36.324 -2.664 26068 6695 1 14 . 1 1 55 55 LYS H H 55 8.110 8.110 8.575 -0.465 26068 6696 1 14 . 1 1 56 56 PHE N N 56 128.540 128.540 121.545 6.995 26068 6697 1 14 . 1 1 56 56 PHE HA H 56 5.170 5.170 4.828 0.342 26068 6698 1 14 . 1 1 56 56 PHE C C 56 174.040 174.040 174.603 -0.563 26068 6699 1 14 . 1 1 56 56 PHE CA C 56 56.140 56.140 58.123 -1.983 26068 6700 1 14 . 1 1 56 56 PHE CB C 56 41.100 41.100 40.495 0.605 26068 6701 1 14 . 1 1 56 56 PHE H H 56 9.420 9.420 9.165 0.255 26068 6702 1 14 . 1 1 57 57 LYS N N 57 120.820 120.820 122.127 -1.307 26068 6703 1 14 . 1 1 57 57 LYS HA H 57 5.030 5.030 4.979 0.051 26068 6704 1 14 . 1 1 57 57 LYS C C 57 173.280 173.280 174.401 -1.121 26068 6705 1 14 . 1 1 57 57 LYS CA C 57 54.190 54.190 54.537 -0.347 26068 6706 1 14 . 1 1 57 57 LYS CB C 57 36.420 36.420 36.553 -0.133 26068 6707 1 14 . 1 1 57 57 LYS H H 57 9.060 9.060 8.972 0.088 26068 6708 1 14 . 1 1 58 58 LEU N N 58 125.690 125.690 120.017 5.673 26068 6709 1 14 . 1 1 58 58 LEU HA H 58 4.950 4.950 4.857 0.093 26068 6710 1 14 . 1 1 58 58 LEU C C 58 175.180 175.180 177.164 -1.984 26068 6711 1 14 . 1 1 58 58 LEU CA C 58 52.890 52.890 54.112 -1.222 26068 6712 1 14 . 1 1 58 58 LEU CB C 58 42.320 42.320 44.177 -1.857 26068 6713 1 14 . 1 1 58 58 LEU H H 58 8.420 8.420 8.441 -0.021 26068 6714 1 14 . 1 1 59 59 VAL N N 59 125.770 125.770 126.037 -0.267 26068 6715 1 14 . 1 1 59 59 VAL HA H 59 4.540 4.540 4.095 0.445 26068 6716 1 14 . 1 1 59 59 VAL C C 59 174.690 174.690 174.773 -0.083 26068 6717 1 14 . 1 1 59 59 VAL CA C 59 59.780 59.780 62.630 -2.850 26068 6718 1 14 . 1 1 59 59 VAL CB C 59 32.950 32.950 31.864 1.086 26068 6719 1 14 . 1 1 59 59 VAL H H 59 9.260 9.260 8.970 0.290 26068 6720 1 14 . 1 1 60 60 THR N N 60 119.180 119.180 122.733 -3.553 26068 6721 1 14 . 1 1 60 60 THR C C 60 174.250 174.250 173.443 0.807 26068 6722 1 14 . 1 1 60 60 THR CA C 60 60.740 60.740 60.298 0.442 26068 6723 1 14 . 1 1 60 60 THR CB C 60 65.260 65.260 70.528 -5.268 26068 6724 1 14 . 1 1 60 60 THR H H 60 8.480 8.480 8.561 -0.081 26068 6725 1 14 . 1 1 61 61 THR N N 61 117.840 117.840 119.665 -1.825 26068 6726 1 14 . 1 1 61 61 THR C C 61 173.550 173.550 174.209 -0.659 26068 6727 1 14 . 1 1 61 61 THR CA C 61 59.290 59.290 60.714 -1.424 26068 6728 1 14 . 1 1 61 61 THR H H 61 8.610 8.610 8.151 0.459 26068 6729 1 14 . 1 1 62 62 LYS N N 62 122.610 122.610 125.633 -3.023 26068 6730 1 14 . 1 1 62 62 LYS HA H 62 4.480 4.480 4.520 -0.040 26068 6731 1 14 . 1 1 62 62 LYS CA C 62 53.750 53.750 54.972 -1.222 26068 6732 1 14 . 1 1 62 62 LYS H H 62 8.380 8.380 8.582 -0.202 26068 6733 1 14 . 1 1 63 63 PRO C C 63 176.780 176.780 176.566 0.214 26068 6734 1 14 . 1 1 64 64 ARG N N 64 116.830 116.830 116.316 0.514 26068 6735 1 14 . 1 1 64 64 ARG C C 64 177.070 177.070 174.381 2.689 26068 6736 1 14 . 1 1 64 64 ARG CA C 64 57.230 57.230 55.529 1.701 26068 6737 1 14 . 1 1 64 64 ARG H H 64 8.130 8.130 8.458 -0.328 26068 6738 1 14 . 1 1 65 65 THR N N 65 127.240 127.240 115.742 11.498 26068 6739 1 14 . 1 1 65 65 THR C C 65 173.780 173.780 173.660 0.120 26068 6740 1 14 . 1 1 65 65 THR CA C 65 60.680 60.680 60.533 0.147 26068 6741 1 14 . 1 1 65 65 THR H H 65 7.370 7.370 8.343 -0.973 26068 6742 1 14 . 1 1 66 66 GLY N N 66 112.840 112.840 113.439 -0.599 26068 6743 1 14 . 1 1 66 66 GLY C C 66 171.630 171.630 172.480 -0.850 26068 6744 1 14 . 1 1 66 66 GLY CA C 66 43.610 43.610 43.652 -0.042 26068 6745 1 14 . 1 1 66 66 GLY H H 66 8.760 8.760 8.459 0.301 26068 6746 1 14 . 1 1 67 67 ILE N N 67 119.560 119.560 116.994 2.566 26068 6747 1 14 . 1 1 67 67 ILE C C 67 175.110 175.110 174.942 0.168 26068 6748 1 14 . 1 1 67 67 ILE CA C 67 58.220 58.220 58.695 -0.475 26068 6749 1 14 . 1 1 67 67 ILE H H 67 8.310 8.310 8.206 0.104 26068 6750 1 14 . 1 1 68 68 ASN N N 68 127.190 127.190 121.374 5.816 26068 6751 1 14 . 1 1 68 68 ASN CA C 68 49.840 49.840 51.406 -1.566 26068 6752 1 14 . 1 1 68 68 ASN H H 68 8.750 8.750 8.217 0.533 26068 6753 1 14 . 1 1 70 70 LYS N N 70 128.540 128.540 118.038 10.502 26068 6754 1 14 . 1 1 70 70 LYS HA H 70 4.530 4.530 4.390 0.140 26068 6755 1 14 . 1 1 70 70 LYS CA C 70 57.270 57.270 57.218 0.052 26068 6756 1 14 . 1 1 70 70 LYS H H 70 8.870 8.870 8.947 -0.077 26068 6757 1 14 . 1 1 71 71 THR C C 71 174.770 174.770 173.758 1.012 26068 6758 1 14 . 1 1 71 71 THR CA C 71 60.650 60.650 60.218 0.432 26068 6759 1 14 . 1 1 72 72 LYS N N 72 116.540 116.540 121.425 -4.885 26068 6760 1 14 . 1 1 72 72 LYS C C 72 174.500 174.500 175.834 -1.334 26068 6761 1 14 . 1 1 72 72 LYS CA C 72 56.710 56.710 56.832 -0.122 26068 6762 1 14 . 1 1 72 72 LYS H H 72 8.450 8.450 8.566 -0.116 26068 6763 1 14 . 1 1 73 73 GLN N N 73 117.620 117.620 119.422 -1.802 26068 6764 1 14 . 1 1 73 73 GLN HA H 73 4.200 4.200 4.719 -0.519 26068 6765 1 14 . 1 1 73 73 GLN C C 73 174.700 174.700 174.220 0.480 26068 6766 1 14 . 1 1 73 73 GLN CA C 73 54.250 54.250 54.134 0.116 26068 6767 1 14 . 1 1 73 73 GLN H H 73 7.600 7.600 7.783 -0.183 26068 6768 1 14 . 1 1 74 74 LYS N N 74 122.530 122.530 116.973 5.557 26068 6769 1 14 . 1 1 74 74 LYS C C 74 175.840 175.840 175.262 0.578 26068 6770 1 14 . 1 1 74 74 LYS CA C 74 55.900 55.900 55.244 0.656 26068 6771 1 14 . 1 1 74 74 LYS H H 74 8.500 8.500 8.256 0.244 26068 6772 1 14 . 1 1 75 75 ILE N N 75 121.120 121.120 122.565 -1.445 26068 6773 1 14 . 1 1 75 75 ILE HA H 75 4.440 4.440 4.311 0.129 26068 6774 1 14 . 1 1 75 75 ILE C C 75 174.000 174.000 175.048 -1.048 26068 6775 1 14 . 1 1 75 75 ILE CA C 75 58.750 58.750 60.054 -1.304 26068 6776 1 14 . 1 1 75 75 ILE H H 75 8.480 8.480 9.217 -0.737 26068 6777 1 14 . 1 1 76 76 GLN N N 76 123.280 123.280 125.638 -2.358 26068 6778 1 14 . 1 1 76 76 GLN C C 76 174.000 174.000 175.164 -1.164 26068 6779 1 14 . 1 1 76 76 GLN CA C 76 54.220 54.220 55.211 -0.991 26068 6780 1 14 . 1 1 76 76 GLN H H 76 8.510 8.510 8.601 -0.091 26068 6781 1 14 . 1 1 77 77 ILE N N 77 115.590 115.590 127.425 -11.835 26068 6782 1 14 . 1 1 77 77 ILE CA C 77 60.710 60.710 58.577 2.133 26068 6783 1 14 . 1 1 77 77 ILE H H 77 8.420 8.420 8.769 -0.349 26068 6784 1 14 . 1 1 78 78 PRO C C 78 176.070 176.070 175.762 0.308 26068 6785 1 14 . 1 1 79 79 ALA N N 79 123.150 123.150 121.985 1.165 26068 6786 1 14 . 1 1 79 79 ALA HA H 79 3.990 3.990 4.241 -0.251 26068 6787 1 14 . 1 1 79 79 ALA C C 79 176.740 176.740 177.329 -0.589 26068 6788 1 14 . 1 1 79 79 ALA CA C 79 51.670 51.670 51.853 -0.183 26068 6789 1 14 . 1 1 79 79 ALA CB C 79 18.710 18.710 19.816 -1.106 26068 6790 1 14 . 1 1 79 79 ALA H H 79 8.490 8.490 8.239 0.251 26068 6791 1 14 . 1 1 80 80 GLY N N 80 109.540 109.540 107.770 1.770 26068 6792 1 14 . 1 1 80 80 GLY C C 80 172.350 172.350 172.033 0.317 26068 6793 1 14 . 1 1 80 80 GLY CA C 80 43.650 43.650 44.346 -0.696 26068 6794 1 14 . 1 1 80 80 GLY H H 80 7.960 7.960 8.473 -0.513 26068 6795 1 14 . 1 1 81 81 LYS N N 81 120.310 120.310 120.896 -0.586 26068 6796 1 14 . 1 1 81 81 LYS C C 81 174.920 174.920 174.525 0.395 26068 6797 1 14 . 1 1 81 81 LYS CA C 81 54.330 54.330 56.108 -1.778 26068 6798 1 14 . 1 1 81 81 LYS H H 81 8.330 8.330 8.342 -0.012 26068 6799 1 14 . 1 1 82 82 LYS N N 82 121.710 121.710 123.683 -1.973 26068 6800 1 14 . 1 1 82 82 LYS HA H 82 4.670 4.670 4.699 -0.029 26068 6801 1 14 . 1 1 82 82 LYS C C 82 173.360 173.360 174.519 -1.159 26068 6802 1 14 . 1 1 82 82 LYS CA C 82 53.910 53.910 55.121 -1.211 26068 6803 1 14 . 1 1 82 82 LYS CB C 82 35.200 35.200 35.954 -0.754 26068 6804 1 14 . 1 1 82 82 LYS H H 82 8.970 8.970 9.146 -0.176 26068 6805 1 14 . 1 1 83 83 ILE N N 83 123.310 123.310 122.612 0.698 26068 6806 1 14 . 1 1 83 83 ILE HA H 83 4.700 4.700 4.305 0.395 26068 6807 1 14 . 1 1 83 83 ILE C C 83 173.820 173.820 175.978 -2.158 26068 6808 1 14 . 1 1 83 83 ILE CA C 83 60.200 60.200 61.801 -1.601 26068 6809 1 14 . 1 1 83 83 ILE CB C 83 37.960 37.960 39.150 -1.190 26068 6810 1 14 . 1 1 83 83 ILE H H 83 8.470 8.470 8.649 -0.179 26068 6811 1 14 . 1 1 84 84 LYS N N 84 127.190 127.190 126.222 0.968 26068 6812 1 14 . 1 1 84 84 LYS HA H 84 4.700 4.700 4.553 0.147 26068 6813 1 14 . 1 1 84 84 LYS C C 84 173.770 173.770 174.421 -0.651 26068 6814 1 14 . 1 1 84 84 LYS CA C 84 53.260 53.260 55.559 -2.299 26068 6815 1 14 . 1 1 84 84 LYS CB C 84 35.070 35.070 35.701 -0.631 26068 6816 1 14 . 1 1 84 84 LYS H H 84 9.160 9.160 9.045 0.115 26068 6817 1 14 . 1 1 85 85 LEU N N 85 125.120 125.120 129.454 -4.334 26068 6818 1 14 . 1 1 85 85 LEU HA H 85 4.690 4.690 4.417 0.273 26068 6819 1 14 . 1 1 85 85 LEU C C 85 175.520 175.520 176.098 -0.578 26068 6820 1 14 . 1 1 85 85 LEU CA C 85 52.080 52.080 54.552 -2.472 26068 6821 1 14 . 1 1 85 85 LEU CB C 85 43.670 43.670 43.085 0.585 26068 6822 1 14 . 1 1 85 85 LEU H H 85 8.620 8.620 8.603 0.017 26068 6823 1 14 . 1 1 86 86 THR N N 86 124.610 124.610 122.176 2.434 26068 6824 1 14 . 1 1 86 86 THR HA H 86 4.550 4.550 4.503 0.047 26068 6825 1 14 . 1 1 86 86 THR C C 86 174.770 174.770 173.818 0.952 26068 6826 1 14 . 1 1 86 86 THR CA C 86 60.440 60.440 60.615 -0.175 26068 6827 1 14 . 1 1 86 86 THR CB C 86 68.040 68.040 68.490 -0.450 26068 6828 1 14 . 1 1 86 86 THR H H 86 8.770 8.770 8.700 0.070 26068 6829 1 14 . 1 1 87 87 VAL C C 87 174.810 174.810 176.579 -1.769 26068 6830 1 14 . 1 1 87 87 VAL CA C 87 63.170 63.170 63.310 -0.140 26068 6831 1 14 . 1 1 88 88 SER N N 88 122.640 122.640 121.499 1.141 26068 6832 1 14 . 1 1 88 88 SER HA H 88 4.470 4.470 4.404 0.066 26068 6833 1 14 . 1 1 88 88 SER CA C 88 56.790 56.790 58.304 -1.514 26068 6834 1 14 . 1 1 88 88 SER H H 88 8.330 8.330 8.657 -0.327 26068 6835 1 14 . 1 1 89 89 LYS C C 89 176.560 176.560 178.046 -1.486 26068 6836 1 14 . 1 1 90 90 ILE N N 90 117.640 117.640 120.820 -3.180 26068 6837 1 14 . 1 1 90 90 ILE HA H 90 3.700 3.700 3.823 -0.123 26068 6838 1 14 . 1 1 90 90 ILE C C 90 178.250 178.250 177.417 0.833 26068 6839 1 14 . 1 1 90 90 ILE CA C 90 63.200 63.200 63.640 -0.440 26068 6840 1 14 . 1 1 90 90 ILE CB C 90 36.230 36.230 38.045 -1.815 26068 6841 1 14 . 1 1 90 90 ILE H H 90 7.930 7.930 7.782 0.148 26068 6842 1 14 . 1 1 91 91 LEU N N 91 121.350 121.350 117.303 4.047 26068 6843 1 14 . 1 1 91 91 LEU HA H 91 4.210 4.210 4.325 -0.115 26068 6844 1 14 . 1 1 91 91 LEU C C 91 177.410 177.410 177.011 0.399 26068 6845 1 14 . 1 1 91 91 LEU CA C 91 56.750 56.750 55.934 0.816 26068 6846 1 14 . 1 1 91 91 LEU CB C 91 39.561 39.561 42.106 -2.545 26068 6847 1 14 . 1 1 91 91 LEU H H 91 7.380 7.380 7.659 -0.279 26068 6848 1 14 . 1 1 92 92 THR N N 92 113.940 113.940 112.532 1.408 26068 6849 1 14 . 1 1 92 92 THR HA H 92 3.670 3.670 4.772 -1.102 26068 6850 1 14 . 1 1 92 92 THR C C 92 176.170 176.170 173.013 3.157 26068 6851 1 14 . 1 1 92 92 THR CA C 92 66.150 66.150 61.560 4.590 26068 6852 1 14 . 1 1 92 92 THR CB C 92 66.950 66.950 69.313 -2.363 26068 6853 1 14 . 1 1 92 92 THR H H 92 7.780 7.780 7.755 0.025 26068 6854 1 14 . 1 1 93 93 ASP N N 93 121.580 121.580 121.677 -0.097 26068 6855 1 14 . 1 1 93 93 ASP HA H 93 4.360 4.360 4.697 -0.337 26068 6856 1 14 . 1 1 93 93 ASP C C 93 178.020 178.020 175.127 2.893 26068 6857 1 14 . 1 1 93 93 ASP CA C 93 56.140 56.140 53.872 2.268 26068 6858 1 14 . 1 1 93 93 ASP CB C 93 38.730 38.730 42.242 -3.512 26068 6859 1 14 . 1 1 93 93 ASP H H 93 8.790 8.790 7.521 1.269 26068 6860 1 14 . 1 1 94 94 ALA N N 94 124.610 124.610 129.251 -4.641 26068 6861 1 14 . 1 1 94 94 ALA HA H 94 4.130 4.130 3.931 0.199 26068 6862 1 14 . 1 1 94 94 ALA C C 94 180.080 180.080 176.001 4.079 26068 6863 1 14 . 1 1 94 94 ALA CA C 94 54.120 54.120 53.583 0.537 26068 6864 1 14 . 1 1 94 94 ALA CB C 94 17.110 17.110 18.350 -1.240 26068 6865 1 14 . 1 1 94 94 ALA H H 94 8.050 8.050 8.675 -0.625 26068 6866 1 14 . 1 1 95 95 VAL N N 95 119.040 119.040 116.184 2.856 26068 6867 1 14 . 1 1 95 95 VAL HA H 95 3.650 3.650 4.429 -0.779 26068 6868 1 14 . 1 1 95 95 VAL C C 95 177.260 177.260 174.893 2.367 26068 6869 1 14 . 1 1 95 95 VAL CA C 95 65.350 65.350 60.429 4.921 26068 6870 1 14 . 1 1 95 95 VAL CB C 95 30.640 30.640 33.577 -2.937 26068 6871 1 14 . 1 1 95 95 VAL H H 95 8.110 8.110 7.254 0.856 26068 6872 1 14 . 1 1 96 96 ASP N N 96 119.550 119.550 121.993 -2.443 26068 6873 1 14 . 1 1 96 96 ASP HA H 96 4.460 4.460 4.394 0.066 26068 6874 1 14 . 1 1 96 96 ASP C C 96 176.710 176.710 175.934 0.776 26068 6875 1 14 . 1 1 96 96 ASP CA C 96 55.790 55.790 56.866 -1.076 26068 6876 1 14 . 1 1 96 96 ASP CB C 96 40.140 40.140 40.171 -0.031 26068 6877 1 14 . 1 1 96 96 ASP H H 96 7.970 7.970 8.806 -0.836 26068 6878 1 14 . 1 1 97 97 SER N N 97 112.600 112.600 115.152 -2.552 26068 6879 1 14 . 1 1 97 97 SER HA H 97 4.420 4.420 4.531 -0.111 26068 6880 1 14 . 1 1 97 97 SER CA C 97 58.290 58.290 58.961 -0.671 26068 6881 1 14 . 1 1 97 97 SER CB C 97 62.720 62.720 66.293 -3.573 26068 6882 1 14 . 1 1 97 97 SER H H 97 7.870 7.870 8.304 -0.434 26068 6883 1 14 . 1 1 98 98 HIS N N 98 122.580 122.580 121.377 1.203 26068 6884 1 14 . 1 1 98 98 HIS HA H 98 4.090 4.090 4.685 -0.595 26068 6885 1 14 . 1 1 98 98 HIS C C 98 173.400 173.400 172.603 0.797 26068 6886 1 14 . 1 1 98 98 HIS CA C 98 57.400 57.400 56.874 0.526 26068 6887 1 14 . 1 1 98 98 HIS CB C 98 29.810 29.810 31.826 -2.016 26068 6888 1 14 . 1 1 98 98 HIS H H 98 7.340 7.340 7.627 -0.287 26068 6889 1 15 . 1 1 2 2 ALA N N 2 125.690 125.690 128.077 -2.387 26068 6890 1 15 . 1 1 2 2 ALA C C 2 176.530 176.530 176.000 0.530 26068 6891 1 15 . 1 1 2 2 ALA CA C 2 51.730 51.730 51.742 -0.012 26068 6892 1 15 . 1 1 2 2 ALA H H 2 8.250 8.250 8.739 -0.489 26068 6893 1 15 . 1 1 3 3 LYS N N 3 121.040 121.040 125.048 -4.008 26068 6894 1 15 . 1 1 3 3 LYS C C 3 175.520 175.520 175.041 0.479 26068 6895 1 15 . 1 1 3 3 LYS CA C 3 55.230 55.230 56.276 -1.046 26068 6896 1 15 . 1 1 3 3 LYS H H 3 8.210 8.210 8.550 -0.340 26068 6897 1 15 . 1 1 4 4 ILE N N 4 122.490 122.490 121.106 1.384 26068 6898 1 15 . 1 1 4 4 ILE HA H 4 4.180 4.180 4.254 -0.074 26068 6899 1 15 . 1 1 4 4 ILE C C 4 174.950 174.950 175.167 -0.217 26068 6900 1 15 . 1 1 4 4 ILE CA C 4 59.870 59.870 60.672 -0.802 26068 6901 1 15 . 1 1 4 4 ILE H H 4 8.170 8.170 7.834 0.336 26068 6902 1 15 . 1 1 5 5 LYS N N 5 126.600 126.600 128.506 -1.906 26068 6903 1 15 . 1 1 5 5 LYS C C 5 174.330 174.330 176.325 -1.995 26068 6904 1 15 . 1 1 5 5 LYS CA C 5 55.060 55.060 56.402 -1.342 26068 6905 1 15 . 1 1 5 5 LYS H H 5 8.320 8.320 8.407 -0.087 26068 6906 1 15 . 1 1 6 6 SER N N 6 118.400 118.400 119.678 -1.278 26068 6907 1 15 . 1 1 6 6 SER C C 6 174.220 174.220 174.113 0.107 26068 6908 1 15 . 1 1 6 6 SER CA C 6 56.300 56.300 57.818 -1.518 26068 6909 1 15 . 1 1 6 6 SER H H 6 8.200 8.200 8.348 -0.148 26068 6910 1 15 . 1 1 7 7 LEU N N 7 125.400 125.400 121.380 4.020 26068 6911 1 15 . 1 1 7 7 LEU C C 7 177.730 177.730 175.790 1.940 26068 6912 1 15 . 1 1 7 7 LEU CA C 7 54.950 54.950 54.906 0.044 26068 6913 1 15 . 1 1 7 7 LEU CB C 7 42.000 42.000 44.029 -2.029 26068 6914 1 15 . 1 1 7 7 LEU H H 7 9.050 9.050 8.417 0.633 26068 6915 1 15 . 1 1 8 8 SER N N 8 124.870 124.870 116.123 8.747 26068 6916 1 15 . 1 1 8 8 SER HA H 8 4.510 4.510 4.645 -0.135 26068 6917 1 15 . 1 1 8 8 SER C C 8 173.810 173.810 175.248 -1.438 26068 6918 1 15 . 1 1 8 8 SER CA C 8 56.740 56.740 57.468 -0.728 26068 6919 1 15 . 1 1 8 8 SER CB C 8 64.390 64.390 64.299 0.091 26068 6920 1 15 . 1 1 8 8 SER H H 8 9.140 9.140 8.229 0.911 26068 6921 1 15 . 1 1 9 9 ALA N N 9 124.340 124.340 124.551 -0.211 26068 6922 1 15 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.360 0.040 26068 6923 1 15 . 1 1 9 9 ALA C C 9 178.940 178.940 179.168 -0.228 26068 6924 1 15 . 1 1 9 9 ALA CA C 9 54.940 54.940 54.650 0.290 26068 6925 1 15 . 1 1 9 9 ALA H H 9 8.710 8.710 8.523 0.187 26068 6926 1 15 . 1 1 10 10 ALA N N 10 117.990 117.990 120.548 -2.558 26068 6927 1 15 . 1 1 10 10 ALA C C 10 180.600 180.600 179.949 0.651 26068 6928 1 15 . 1 1 10 10 ALA CA C 10 54.380 54.380 54.605 -0.224 26068 6929 1 15 . 1 1 10 10 ALA CB C 10 17.240 17.240 18.503 -1.263 26068 6930 1 15 . 1 1 10 10 ALA H H 10 8.380 8.380 8.225 0.155 26068 6931 1 15 . 1 1 11 11 GLU N N 11 118.900 118.900 118.777 0.123 26068 6932 1 15 . 1 1 11 11 GLU HA H 11 4.040 4.040 4.129 -0.089 26068 6933 1 15 . 1 1 11 11 GLU C C 11 177.770 177.770 178.413 -0.643 26068 6934 1 15 . 1 1 11 11 GLU CA C 11 58.210 58.210 58.901 -0.691 26068 6935 1 15 . 1 1 11 11 GLU CB C 11 29.310 29.310 29.705 -0.395 26068 6936 1 15 . 1 1 11 11 GLU H H 11 7.780 7.780 7.897 -0.117 26068 6937 1 15 . 1 1 12 12 TYR N N 12 125.590 125.590 119.782 5.808 26068 6938 1 15 . 1 1 12 12 TYR C C 12 179.280 179.280 177.787 1.493 26068 6939 1 15 . 1 1 12 12 TYR CA C 12 59.690 59.690 60.277 -0.587 26068 6940 1 15 . 1 1 12 12 TYR CB C 12 37.530 37.530 38.564 -1.034 26068 6941 1 15 . 1 1 12 12 TYR H H 12 8.800 8.800 7.546 1.254 26068 6942 1 15 . 1 1 13 13 LEU N N 13 118.240 118.240 116.306 1.934 26068 6943 1 15 . 1 1 13 13 LEU HA H 13 4.130 4.130 3.648 0.482 26068 6944 1 15 . 1 1 13 13 LEU C C 13 177.790 177.790 178.032 -0.242 26068 6945 1 15 . 1 1 13 13 LEU CA C 13 58.180 58.180 55.970 2.210 26068 6946 1 15 . 1 1 13 13 LEU CB C 13 41.290 41.290 41.833 -0.543 26068 6947 1 15 . 1 1 13 13 LEU H H 13 8.770 8.770 7.667 1.103 26068 6948 1 15 . 1 1 14 14 LYS N N 14 118.870 118.870 116.959 1.911 26068 6949 1 15 . 1 1 14 14 LYS HA H 14 3.980 3.980 3.969 0.011 26068 6950 1 15 . 1 1 14 14 LYS C C 14 177.090 177.090 178.657 -1.567 26068 6951 1 15 . 1 1 14 14 LYS CA C 14 58.610 58.610 58.831 -0.221 26068 6952 1 15 . 1 1 14 14 LYS CB C 14 31.220 31.220 32.178 -0.958 26068 6953 1 15 . 1 1 14 14 LYS H H 14 7.790 7.790 7.400 0.390 26068 6954 1 15 . 1 1 15 15 GLU N N 15 119.560 119.560 119.962 -0.402 26068 6955 1 15 . 1 1 15 15 GLU HA H 15 4.050 4.050 4.252 -0.202 26068 6956 1 15 . 1 1 15 15 GLU C C 15 179.660 179.660 177.823 1.837 26068 6957 1 15 . 1 1 15 15 GLU CA C 15 59.260 59.260 58.163 1.097 26068 6958 1 15 . 1 1 15 15 GLU CB C 15 28.010 28.010 29.721 -1.711 26068 6959 1 15 . 1 1 15 15 GLU H H 15 8.330 8.330 7.683 0.647 26068 6960 1 15 . 1 1 16 16 MET N N 16 116.760 116.760 118.308 -1.548 26068 6961 1 15 . 1 1 16 16 MET HA H 16 4.420 4.420 4.572 -0.152 26068 6962 1 15 . 1 1 16 16 MET C C 16 178.960 178.960 176.264 2.696 26068 6963 1 15 . 1 1 16 16 MET CA C 16 58.200 58.200 53.542 4.658 26068 6964 1 15 . 1 1 16 16 MET CB C 16 34.370 34.370 30.743 3.627 26068 6965 1 15 . 1 1 16 16 MET H H 16 7.940 7.940 7.394 0.546 26068 6966 1 15 . 1 1 17 17 ALA N N 17 128.000 128.000 122.315 5.685 26068 6967 1 15 . 1 1 17 17 ALA HA H 17 4.210 4.210 4.129 0.081 26068 6968 1 15 . 1 1 17 17 ALA C C 17 179.620 179.620 178.507 1.113 26068 6969 1 15 . 1 1 17 17 ALA CA C 17 54.760 54.760 54.314 0.446 26068 6970 1 15 . 1 1 17 17 ALA CB C 17 17.750 17.750 18.603 -0.853 26068 6971 1 15 . 1 1 17 17 ALA H H 17 8.820 8.820 7.659 1.161 26068 6972 1 15 . 1 1 18 18 ASP N N 18 119.660 119.660 117.833 1.827 26068 6973 1 15 . 1 1 18 18 ASP HA H 18 4.420 4.420 4.448 -0.028 26068 6974 1 15 . 1 1 18 18 ASP C C 18 177.750 177.750 177.760 -0.010 26068 6975 1 15 . 1 1 18 18 ASP CA C 18 55.790 55.790 55.901 -0.111 26068 6976 1 15 . 1 1 18 18 ASP CB C 18 38.980 38.980 41.076 -2.096 26068 6977 1 15 . 1 1 18 18 ASP H H 18 8.770 8.770 8.265 0.505 26068 6978 1 15 . 1 1 19 19 GLU N N 19 117.150 117.150 118.049 -0.899 26068 6979 1 15 . 1 1 19 19 GLU HA H 19 4.190 4.190 4.348 -0.158 26068 6980 1 15 . 1 1 19 19 GLU C C 19 177.540 177.540 177.027 0.513 26068 6981 1 15 . 1 1 19 19 GLU CA C 19 57.750 57.750 57.541 0.209 26068 6982 1 15 . 1 1 19 19 GLU CB C 19 29.360 29.360 31.185 -1.825 26068 6983 1 15 . 1 1 19 19 GLU H H 19 7.620 7.620 7.802 -0.182 26068 6984 1 15 . 1 1 20 20 THR N N 20 105.730 105.730 114.334 -8.604 26068 6985 1 15 . 1 1 20 20 THR HA H 20 4.120 4.120 4.638 -0.518 26068 6986 1 15 . 1 1 20 20 THR C C 20 174.800 174.800 173.964 0.836 26068 6987 1 15 . 1 1 20 20 THR CA C 20 62.200 62.200 60.819 1.381 26068 6988 1 15 . 1 1 20 20 THR CB C 20 70.870 70.870 68.820 2.050 26068 6989 1 15 . 1 1 20 20 THR H H 20 7.900 7.900 8.302 -0.402 26068 6990 1 15 . 1 1 21 21 ASN N N 21 116.950 116.950 123.347 -6.397 26068 6991 1 15 . 1 1 21 21 ASN HA H 21 4.390 4.390 4.848 -0.458 26068 6992 1 15 . 1 1 21 21 ASN C C 21 173.060 173.060 175.697 -2.637 26068 6993 1 15 . 1 1 21 21 ASN CA C 21 54.210 54.210 54.275 -0.065 26068 6994 1 15 . 1 1 21 21 ASN CB C 21 36.870 36.870 38.555 -1.685 26068 6995 1 15 . 1 1 21 21 ASN H H 21 8.460 8.460 8.800 -0.340 26068 6996 1 15 . 1 1 22 22 ILE N N 22 121.830 121.830 120.170 1.660 26068 6997 1 15 . 1 1 22 22 ILE HA H 22 4.140 4.140 4.139 0.001 26068 6998 1 15 . 1 1 22 22 ILE C C 22 174.780 174.780 176.167 -1.387 26068 6999 1 15 . 1 1 22 22 ILE CA C 22 59.100 59.100 61.996 -2.896 26068 7000 1 15 . 1 1 22 22 ILE CB C 22 37.060 37.060 38.632 -1.572 26068 7001 1 15 . 1 1 22 22 ILE H H 22 7.680 7.680 7.738 -0.058 26068 7002 1 15 . 1 1 23 23 LYS N N 23 124.750 124.750 121.622 3.128 26068 7003 1 15 . 1 1 23 23 LYS HA H 23 4.140 4.140 4.411 -0.271 26068 7004 1 15 . 1 1 23 23 LYS C C 23 178.550 178.550 175.059 3.491 26068 7005 1 15 . 1 1 23 23 LYS CA C 23 55.940 55.940 55.904 0.035 26068 7006 1 15 . 1 1 23 23 LYS CB C 23 31.670 31.670 33.394 -1.724 26068 7007 1 15 . 1 1 23 23 LYS H H 23 8.510 8.510 7.773 0.737 26068 7008 1 15 . 1 1 24 24 VAL N N 24 122.570 122.570 124.354 -1.784 26068 7009 1 15 . 1 1 24 24 VAL C C 24 176.350 176.350 175.864 0.486 26068 7010 1 15 . 1 1 24 24 VAL CA C 24 66.090 66.090 63.745 2.345 26068 7011 1 15 . 1 1 24 24 VAL CB C 24 30.640 30.640 32.517 -1.877 26068 7012 1 15 . 1 1 24 24 VAL H H 24 8.800 8.800 8.593 0.207 26068 7013 1 15 . 1 1 25 25 GLN N N 25 117.730 117.730 119.572 -1.842 26068 7014 1 15 . 1 1 25 25 GLN C C 25 177.420 177.420 176.421 0.999 26068 7015 1 15 . 1 1 25 25 GLN CA C 25 58.500 58.500 57.710 0.790 26068 7016 1 15 . 1 1 25 25 GLN CB C 25 26.800 26.800 28.320 -1.520 26068 7017 1 15 . 1 1 25 25 GLN H H 25 8.950 8.950 8.386 0.564 26068 7018 1 15 . 1 1 26 26 ASP N N 26 120.360 120.360 117.388 2.972 26068 7019 1 15 . 1 1 26 26 ASP HA H 26 4.610 4.610 4.628 -0.018 26068 7020 1 15 . 1 1 26 26 ASP C C 26 177.320 177.320 178.157 -0.837 26068 7021 1 15 . 1 1 26 26 ASP CA C 26 55.980 55.980 55.717 0.263 26068 7022 1 15 . 1 1 26 26 ASP CB C 26 39.240 39.240 40.873 -1.633 26068 7023 1 15 . 1 1 26 26 ASP H H 26 7.100 7.100 8.200 -1.100 26068 7024 1 15 . 1 1 27 27 ILE N N 27 120.730 120.730 120.092 0.638 26068 7025 1 15 . 1 1 27 27 ILE C C 27 177.470 177.470 177.305 0.165 26068 7026 1 15 . 1 1 27 27 ILE CA C 27 65.110 65.110 62.600 2.510 26068 7027 1 15 . 1 1 27 27 ILE CB C 27 35.840 35.840 36.491 -0.651 26068 7028 1 15 . 1 1 27 27 ILE H H 27 7.950 7.950 8.065 -0.115 26068 7029 1 15 . 1 1 28 28 ARG N N 28 118.340 118.340 120.281 -1.941 26068 7030 1 15 . 1 1 28 28 ARG C C 28 178.150 178.150 178.460 -0.310 26068 7031 1 15 . 1 1 28 28 ARG CA C 28 59.040 59.040 59.516 -0.476 26068 7032 1 15 . 1 1 28 28 ARG CB C 28 28.910 28.910 29.831 -0.921 26068 7033 1 15 . 1 1 28 28 ARG H H 28 8.640 8.640 8.042 0.598 26068 7034 1 15 . 1 1 29 29 LEU N N 29 119.800 119.800 117.721 2.079 26068 7035 1 15 . 1 1 29 29 LEU HA H 29 4.050 4.050 4.261 -0.211 26068 7036 1 15 . 1 1 29 29 LEU C C 29 178.970 178.970 178.484 0.486 26068 7037 1 15 . 1 1 29 29 LEU CA C 29 57.150 57.150 56.590 0.560 26068 7038 1 15 . 1 1 29 29 LEU CB C 29 40.840 40.840 41.944 -1.104 26068 7039 1 15 . 1 1 29 29 LEU H H 29 7.340 7.340 7.599 -0.259 26068 7040 1 15 . 1 1 30 30 VAL N N 30 120.200 120.200 119.995 0.205 26068 7041 1 15 . 1 1 30 30 VAL HA H 30 3.410 3.410 3.732 -0.322 26068 7042 1 15 . 1 1 30 30 VAL C C 30 176.580 176.580 177.769 -1.189 26068 7043 1 15 . 1 1 30 30 VAL CA C 30 66.490 66.490 66.291 0.199 26068 7044 1 15 . 1 1 30 30 VAL CB C 30 30.390 30.390 31.773 -1.383 26068 7045 1 15 . 1 1 30 30 VAL H H 30 7.930 7.930 7.343 0.587 26068 7046 1 15 . 1 1 31 31 VAL N N 31 119.110 119.110 119.876 -0.766 26068 7047 1 15 . 1 1 31 31 VAL HA H 31 3.210 3.210 3.726 -0.516 26068 7048 1 15 . 1 1 31 31 VAL C C 31 177.750 177.750 177.934 -0.184 26068 7049 1 15 . 1 1 31 31 VAL CA C 31 66.040 66.040 66.769 -0.730 26068 7050 1 15 . 1 1 31 31 VAL CB C 31 29.870 29.870 31.244 -1.374 26068 7051 1 15 . 1 1 31 31 VAL H H 31 8.520 8.520 7.956 0.564 26068 7052 1 15 . 1 1 32 32 THR N N 32 118.400 118.400 115.642 2.758 26068 7053 1 15 . 1 1 32 32 THR C C 32 175.680 175.680 176.370 -0.690 26068 7054 1 15 . 1 1 32 32 THR CA C 32 66.440 66.440 66.666 -0.226 26068 7055 1 15 . 1 1 32 32 THR CB C 32 67.470 67.470 68.459 -0.989 26068 7056 1 15 . 1 1 32 32 THR H H 32 8.220 8.220 7.518 0.702 26068 7057 1 15 . 1 1 33 33 SER N N 33 118.470 118.470 117.657 0.813 26068 7058 1 15 . 1 1 33 33 SER HA H 33 4.330 4.330 4.203 0.127 26068 7059 1 15 . 1 1 33 33 SER C C 33 175.560 175.560 176.422 -0.862 26068 7060 1 15 . 1 1 33 33 SER CA C 33 60.860 60.860 61.468 -0.608 26068 7061 1 15 . 1 1 33 33 SER CB C 33 62.720 62.720 62.879 -0.159 26068 7062 1 15 . 1 1 33 33 SER H H 33 7.820 7.820 7.742 0.078 26068 7063 1 15 . 1 1 34 34 LEU N N 34 120.790 120.790 120.948 -0.158 26068 7064 1 15 . 1 1 34 34 LEU C C 34 180.120 180.120 178.716 1.404 26068 7065 1 15 . 1 1 34 34 LEU CA C 34 58.680 58.680 57.887 0.793 26068 7066 1 15 . 1 1 34 34 LEU CB C 34 41.870 41.870 41.810 0.060 26068 7067 1 15 . 1 1 34 34 LEU H H 34 8.940 8.940 7.502 1.438 26068 7068 1 15 . 1 1 35 35 GLN N N 35 117.680 117.680 117.253 0.427 26068 7069 1 15 . 1 1 35 35 GLN HA H 35 3.800 3.800 3.994 -0.194 26068 7070 1 15 . 1 1 35 35 GLN C C 35 176.160 176.160 178.639 -2.479 26068 7071 1 15 . 1 1 35 35 GLN CA C 35 58.910 58.910 57.441 1.469 26068 7072 1 15 . 1 1 35 35 GLN CB C 35 29.040 29.040 27.603 1.437 26068 7073 1 15 . 1 1 35 35 GLN H H 35 7.670 7.670 7.771 -0.101 26068 7074 1 15 . 1 1 36 36 LYS N N 36 124.070 124.070 121.366 2.704 26068 7075 1 15 . 1 1 36 36 LYS HA H 36 4.000 4.000 4.003 -0.003 26068 7076 1 15 . 1 1 36 36 LYS C C 36 178.720 178.720 178.990 -0.270 26068 7077 1 15 . 1 1 36 36 LYS CA C 36 59.100 59.100 59.315 -0.215 26068 7078 1 15 . 1 1 36 36 LYS CB C 36 31.480 31.480 31.870 -0.390 26068 7079 1 15 . 1 1 36 36 LYS H H 36 8.100 8.100 7.710 0.390 26068 7080 1 15 . 1 1 37 37 VAL N N 37 120.470 120.470 119.448 1.022 26068 7081 1 15 . 1 1 37 37 VAL HA H 37 3.420 3.420 3.660 -0.240 26068 7082 1 15 . 1 1 37 37 VAL C C 37 176.250 176.250 177.882 -1.632 26068 7083 1 15 . 1 1 37 37 VAL CA C 37 65.610 65.610 66.456 -0.846 26068 7084 1 15 . 1 1 37 37 VAL H H 37 8.560 8.560 7.344 1.216 26068 7085 1 15 . 1 1 38 38 LEU N N 38 119.990 119.990 120.169 -0.179 26068 7086 1 15 . 1 1 38 38 LEU C C 38 176.920 176.920 178.585 -1.665 26068 7087 1 15 . 1 1 38 38 LEU CA C 38 57.720 57.720 58.204 -0.484 26068 7088 1 15 . 1 1 38 38 LEU CB C 38 41.040 41.040 41.011 0.029 26068 7089 1 15 . 1 1 38 38 LEU H H 38 7.120 7.120 7.685 -0.565 26068 7090 1 15 . 1 1 39 39 ALA N N 39 117.870 117.870 119.844 -1.974 26068 7091 1 15 . 1 1 39 39 ALA HA H 39 3.780 3.780 3.829 -0.049 26068 7092 1 15 . 1 1 39 39 ALA C C 39 177.770 177.770 179.234 -1.464 26068 7093 1 15 . 1 1 39 39 ALA CA C 39 53.910 53.910 55.237 -1.327 26068 7094 1 15 . 1 1 39 39 ALA CB C 39 17.370 17.370 18.012 -0.642 26068 7095 1 15 . 1 1 39 39 ALA H H 39 7.540 7.540 8.037 -0.497 26068 7096 1 15 . 1 1 40 40 LYS N N 40 117.340 117.340 118.246 -0.906 26068 7097 1 15 . 1 1 40 40 LYS HA H 40 3.220 3.220 4.025 -0.805 26068 7098 1 15 . 1 1 40 40 LYS C C 40 179.390 179.390 178.751 0.639 26068 7099 1 15 . 1 1 40 40 LYS CA C 40 58.170 58.170 59.257 -1.087 26068 7100 1 15 . 1 1 40 40 LYS CB C 40 29.750 29.750 32.549 -2.799 26068 7101 1 15 . 1 1 40 40 LYS H H 40 7.760 7.760 7.984 -0.224 26068 7102 1 15 . 1 1 41 41 GLU N N 41 119.510 119.510 120.805 -1.295 26068 7103 1 15 . 1 1 41 41 GLU HA H 41 3.900 3.900 4.088 -0.188 26068 7104 1 15 . 1 1 41 41 GLU C C 41 179.390 179.390 178.814 0.576 26068 7105 1 15 . 1 1 41 41 GLU CA C 41 57.850 57.850 59.057 -1.208 26068 7106 1 15 . 1 1 41 41 GLU CB C 41 28.720 28.720 29.211 -0.491 26068 7107 1 15 . 1 1 41 41 GLU H H 41 8.810 8.810 7.973 0.837 26068 7108 1 15 . 1 1 42 42 LEU N N 42 120.430 120.430 119.888 0.542 26068 7109 1 15 . 1 1 42 42 LEU HA H 42 3.670 3.670 4.060 -0.390 26068 7110 1 15 . 1 1 42 42 LEU C C 42 176.370 176.370 179.650 -3.280 26068 7111 1 15 . 1 1 42 42 LEU CA C 42 57.650 57.650 57.935 -0.285 26068 7112 1 15 . 1 1 42 42 LEU CB C 42 41.040 41.040 41.829 -0.789 26068 7113 1 15 . 1 1 42 42 LEU H H 42 8.200 8.200 7.807 0.393 26068 7114 1 15 . 1 1 43 43 ALA N N 43 117.000 117.000 120.558 -3.558 26068 7115 1 15 . 1 1 43 43 ALA HA H 43 4.030 4.030 4.120 -0.090 26068 7116 1 15 . 1 1 43 43 ALA C C 43 177.510 177.510 178.440 -0.930 26068 7117 1 15 . 1 1 43 43 ALA CA C 43 53.130 53.130 54.462 -1.332 26068 7118 1 15 . 1 1 43 43 ALA CB C 43 19.230 19.230 18.699 0.531 26068 7119 1 15 . 1 1 43 43 ALA H H 43 7.850 7.850 8.115 -0.265 26068 7120 1 15 . 1 1 44 44 THR N N 44 107.520 107.520 106.769 0.751 26068 7121 1 15 . 1 1 44 44 THR HA H 44 4.370 4.370 4.449 -0.079 26068 7122 1 15 . 1 1 44 44 THR C C 44 174.160 174.160 174.223 -0.063 26068 7123 1 15 . 1 1 44 44 THR CA C 44 61.030 61.030 61.475 -0.445 26068 7124 1 15 . 1 1 44 44 THR CB C 44 69.200 69.200 69.849 -0.649 26068 7125 1 15 . 1 1 44 44 THR H H 44 7.570 7.570 7.643 -0.073 26068 7126 1 15 . 1 1 45 45 THR N N 45 120.020 120.020 113.782 6.238 26068 7127 1 15 . 1 1 45 45 THR HA H 45 4.170 4.170 4.123 0.047 26068 7128 1 15 . 1 1 45 45 THR C C 45 175.160 175.160 173.796 1.364 26068 7129 1 15 . 1 1 45 45 THR CA C 45 63.160 63.160 63.479 -0.319 26068 7130 1 15 . 1 1 45 45 THR CB C 45 68.750 68.750 67.288 1.462 26068 7131 1 15 . 1 1 45 45 THR H H 45 8.690 8.690 8.008 0.682 26068 7132 1 15 . 1 1 46 46 GLY N N 46 108.110 108.110 107.679 0.431 26068 7133 1 15 . 1 1 46 46 GLY C C 46 171.890 171.890 172.503 -0.613 26068 7134 1 15 . 1 1 46 46 GLY CA C 46 44.600 44.600 44.118 0.482 26068 7135 1 15 . 1 1 46 46 GLY H H 46 8.300 8.300 8.081 0.219 26068 7136 1 15 . 1 1 47 47 GLU N N 47 115.320 115.320 119.393 -4.073 26068 7137 1 15 . 1 1 47 47 GLU HA H 47 5.330 5.330 5.019 0.311 26068 7138 1 15 . 1 1 47 47 GLU C C 47 173.280 173.280 175.070 -1.790 26068 7139 1 15 . 1 1 47 47 GLU CA C 47 54.060 54.060 55.590 -1.530 26068 7140 1 15 . 1 1 47 47 GLU CB C 47 32.280 32.280 33.107 -0.827 26068 7141 1 15 . 1 1 47 47 GLU H H 47 7.210 7.210 8.251 -1.041 26068 7142 1 15 . 1 1 48 48 VAL N N 48 118.460 118.460 125.374 -6.914 26068 7143 1 15 . 1 1 48 48 VAL HA H 48 4.450 4.450 4.489 -0.039 26068 7144 1 15 . 1 1 48 48 VAL C C 48 171.500 171.500 174.634 -3.134 26068 7145 1 15 . 1 1 48 48 VAL CA C 48 60.080 60.080 61.011 -0.930 26068 7146 1 15 . 1 1 48 48 VAL CB C 48 32.510 32.510 34.873 -2.363 26068 7147 1 15 . 1 1 48 48 VAL H H 48 8.810 8.810 8.595 0.215 26068 7148 1 15 . 1 1 49 49 ARG N N 49 129.960 129.960 125.748 4.212 26068 7149 1 15 . 1 1 49 49 ARG HA H 49 4.700 4.700 4.917 -0.217 26068 7150 1 15 . 1 1 49 49 ARG C C 49 173.520 173.520 175.669 -2.149 26068 7151 1 15 . 1 1 49 49 ARG CA C 49 54.960 54.960 54.902 0.058 26068 7152 1 15 . 1 1 49 49 ARG CB C 49 29.170 29.170 30.950 -1.780 26068 7153 1 15 . 1 1 49 49 ARG H H 49 9.510 9.510 8.532 0.978 26068 7154 1 15 . 1 1 50 50 LEU N N 50 129.550 129.550 124.369 5.181 26068 7155 1 15 . 1 1 50 50 LEU HA H 50 4.440 4.440 4.685 -0.245 26068 7156 1 15 . 1 1 50 50 LEU C C 50 171.890 171.890 177.105 -5.215 26068 7157 1 15 . 1 1 50 50 LEU CA C 50 51.100 51.100 54.109 -3.009 26068 7158 1 15 . 1 1 50 50 LEU CB C 50 41.740 41.740 43.287 -1.547 26068 7159 1 15 . 1 1 50 50 LEU H H 50 8.960 8.960 8.788 0.172 26068 7160 1 15 . 1 1 51 51 PHE N N 51 122.720 122.720 123.698 -0.978 26068 7161 1 15 . 1 1 51 51 PHE HA H 51 3.750 3.750 4.321 -0.571 26068 7162 1 15 . 1 1 51 51 PHE C C 51 173.520 173.520 176.159 -2.639 26068 7163 1 15 . 1 1 51 51 PHE CA C 51 59.750 59.750 59.788 -0.037 26068 7164 1 15 . 1 1 51 51 PHE CB C 51 36.610 36.610 38.855 -2.245 26068 7165 1 15 . 1 1 51 51 PHE H H 51 7.960 7.960 8.674 -0.714 26068 7166 1 15 . 1 1 52 52 ASP N N 52 122.670 122.670 124.427 -1.757 26068 7167 1 15 . 1 1 52 52 ASP HA H 52 5.070 5.070 4.140 0.930 26068 7168 1 15 . 1 1 52 52 ASP C C 52 175.160 175.160 176.990 -1.830 26068 7169 1 15 . 1 1 52 52 ASP CA C 52 53.380 53.380 55.733 -2.353 26068 7170 1 15 . 1 1 52 52 ASP CB C 52 39.950 39.950 39.547 0.403 26068 7171 1 15 . 1 1 52 52 ASP H H 52 8.690 8.690 8.246 0.444 26068 7172 1 15 . 1 1 53 53 ILE N N 53 121.190 121.190 118.495 2.695 26068 7173 1 15 . 1 1 53 53 ILE HA H 53 3.980 3.980 3.754 0.226 26068 7174 1 15 . 1 1 53 53 ILE C C 53 174.950 174.950 176.617 -1.667 26068 7175 1 15 . 1 1 53 53 ILE CA C 53 63.530 63.530 63.402 0.128 26068 7176 1 15 . 1 1 53 53 ILE CB C 53 37.000 37.000 38.178 -1.178 26068 7177 1 15 . 1 1 53 53 ILE H H 53 8.710 8.710 7.856 0.854 26068 7178 1 15 . 1 1 54 54 GLY N N 54 101.400 101.400 105.476 -4.076 26068 7179 1 15 . 1 1 54 54 GLY C C 54 169.840 169.840 171.939 -2.099 26068 7180 1 15 . 1 1 54 54 GLY CA C 54 43.740 43.740 44.361 -0.621 26068 7181 1 15 . 1 1 54 54 GLY H H 54 6.690 6.690 7.681 -0.991 26068 7182 1 15 . 1 1 55 55 LYS N N 55 119.440 119.440 119.485 -0.045 26068 7183 1 15 . 1 1 55 55 LYS HA H 55 4.930 4.930 5.687 -0.757 26068 7184 1 15 . 1 1 55 55 LYS C C 55 174.340 174.340 175.316 -0.976 26068 7185 1 15 . 1 1 55 55 LYS CA C 55 54.190 54.190 54.276 -0.087 26068 7186 1 15 . 1 1 55 55 LYS CB C 55 33.660 33.660 36.194 -2.534 26068 7187 1 15 . 1 1 55 55 LYS H H 55 8.110 8.110 8.196 -0.086 26068 7188 1 15 . 1 1 56 56 PHE N N 56 128.540 128.540 122.475 6.065 26068 7189 1 15 . 1 1 56 56 PHE HA H 56 5.170 5.170 5.303 -0.133 26068 7190 1 15 . 1 1 56 56 PHE C C 56 174.040 174.040 175.135 -1.095 26068 7191 1 15 . 1 1 56 56 PHE CA C 56 56.140 56.140 57.753 -1.613 26068 7192 1 15 . 1 1 56 56 PHE CB C 56 41.100 41.100 40.925 0.175 26068 7193 1 15 . 1 1 56 56 PHE H H 56 9.420 9.420 8.542 0.878 26068 7194 1 15 . 1 1 57 57 LYS N N 57 120.820 120.820 119.494 1.326 26068 7195 1 15 . 1 1 57 57 LYS HA H 57 5.030 5.030 4.948 0.082 26068 7196 1 15 . 1 1 57 57 LYS C C 57 173.280 173.280 174.225 -0.945 26068 7197 1 15 . 1 1 57 57 LYS CA C 57 54.190 54.190 54.963 -0.773 26068 7198 1 15 . 1 1 57 57 LYS CB C 57 36.420 36.420 36.047 0.373 26068 7199 1 15 . 1 1 57 57 LYS H H 57 9.060 9.060 9.126 -0.066 26068 7200 1 15 . 1 1 58 58 LEU N N 58 125.690 125.690 119.597 6.093 26068 7201 1 15 . 1 1 58 58 LEU HA H 58 4.950 4.950 5.293 -0.343 26068 7202 1 15 . 1 1 58 58 LEU C C 58 175.180 175.180 177.285 -2.105 26068 7203 1 15 . 1 1 58 58 LEU CA C 58 52.890 52.890 53.859 -0.970 26068 7204 1 15 . 1 1 58 58 LEU CB C 58 42.320 42.320 44.952 -2.632 26068 7205 1 15 . 1 1 58 58 LEU H H 58 8.420 8.420 8.379 0.041 26068 7206 1 15 . 1 1 59 59 VAL N N 59 125.770 125.770 121.806 3.964 26068 7207 1 15 . 1 1 59 59 VAL HA H 59 4.540 4.540 4.408 0.132 26068 7208 1 15 . 1 1 59 59 VAL C C 59 174.690 174.690 175.094 -0.404 26068 7209 1 15 . 1 1 59 59 VAL CA C 59 59.780 59.780 61.837 -2.057 26068 7210 1 15 . 1 1 59 59 VAL CB C 59 32.950 32.950 33.108 -0.158 26068 7211 1 15 . 1 1 59 59 VAL H H 59 9.260 9.260 9.026 0.234 26068 7212 1 15 . 1 1 60 60 THR N N 60 119.180 119.180 120.594 -1.414 26068 7213 1 15 . 1 1 60 60 THR C C 60 174.250 174.250 173.137 1.113 26068 7214 1 15 . 1 1 60 60 THR CA C 60 60.740 60.740 60.564 0.176 26068 7215 1 15 . 1 1 60 60 THR CB C 60 65.260 65.260 70.228 -4.968 26068 7216 1 15 . 1 1 60 60 THR H H 60 8.480 8.480 8.304 0.176 26068 7217 1 15 . 1 1 61 61 THR N N 61 117.840 117.840 118.012 -0.172 26068 7218 1 15 . 1 1 61 61 THR C C 61 173.550 173.550 173.525 0.025 26068 7219 1 15 . 1 1 61 61 THR CA C 61 59.290 59.290 60.891 -1.601 26068 7220 1 15 . 1 1 61 61 THR H H 61 8.610 8.610 9.132 -0.522 26068 7221 1 15 . 1 1 62 62 LYS N N 62 122.610 122.610 124.424 -1.814 26068 7222 1 15 . 1 1 62 62 LYS HA H 62 4.480 4.480 4.585 -0.105 26068 7223 1 15 . 1 1 62 62 LYS CA C 62 53.750 53.750 54.317 -0.567 26068 7224 1 15 . 1 1 62 62 LYS H H 62 8.380 8.380 8.384 -0.004 26068 7225 1 15 . 1 1 63 63 PRO C C 63 176.780 176.780 176.703 0.077 26068 7226 1 15 . 1 1 64 64 ARG N N 64 116.830 116.830 119.193 -2.363 26068 7227 1 15 . 1 1 64 64 ARG C C 64 177.070 177.070 174.984 2.086 26068 7228 1 15 . 1 1 64 64 ARG CA C 64 57.230 57.230 55.509 1.721 26068 7229 1 15 . 1 1 64 64 ARG H H 64 8.130 8.130 8.665 -0.535 26068 7230 1 15 . 1 1 65 65 THR N N 65 127.240 127.240 114.590 12.650 26068 7231 1 15 . 1 1 65 65 THR C C 65 173.780 173.780 173.982 -0.202 26068 7232 1 15 . 1 1 65 65 THR CA C 65 60.680 60.680 59.894 0.786 26068 7233 1 15 . 1 1 65 65 THR H H 65 7.370 7.370 8.433 -1.063 26068 7234 1 15 . 1 1 66 66 GLY N N 66 112.840 112.840 109.404 3.436 26068 7235 1 15 . 1 1 66 66 GLY C C 66 171.630 171.630 172.238 -0.608 26068 7236 1 15 . 1 1 66 66 GLY CA C 66 43.610 43.610 44.642 -1.032 26068 7237 1 15 . 1 1 66 66 GLY H H 66 8.760 8.760 7.952 0.808 26068 7238 1 15 . 1 1 67 67 ILE N N 67 119.560 119.560 118.406 1.154 26068 7239 1 15 . 1 1 67 67 ILE C C 67 175.110 175.110 174.219 0.891 26068 7240 1 15 . 1 1 67 67 ILE CA C 67 58.220 58.220 59.573 -1.353 26068 7241 1 15 . 1 1 67 67 ILE H H 67 8.310 8.310 8.267 0.043 26068 7242 1 15 . 1 1 68 68 ASN N N 68 127.190 127.190 124.096 3.094 26068 7243 1 15 . 1 1 68 68 ASN CA C 68 49.840 49.840 52.625 -2.785 26068 7244 1 15 . 1 1 68 68 ASN H H 68 8.750 8.750 8.777 -0.027 26068 7245 1 15 . 1 1 70 70 LYS N N 70 128.540 128.540 118.942 9.598 26068 7246 1 15 . 1 1 70 70 LYS HA H 70 4.530 4.530 4.341 0.189 26068 7247 1 15 . 1 1 70 70 LYS CA C 70 57.270 57.270 57.235 0.035 26068 7248 1 15 . 1 1 70 70 LYS H H 70 8.870 8.870 8.356 0.514 26068 7249 1 15 . 1 1 71 71 THR C C 71 174.770 174.770 173.037 1.733 26068 7250 1 15 . 1 1 71 71 THR CA C 71 60.650 60.650 60.515 0.135 26068 7251 1 15 . 1 1 72 72 LYS N N 72 116.540 116.540 122.925 -6.385 26068 7252 1 15 . 1 1 72 72 LYS C C 72 174.500 174.500 175.935 -1.435 26068 7253 1 15 . 1 1 72 72 LYS CA C 72 56.710 56.710 57.264 -0.554 26068 7254 1 15 . 1 1 72 72 LYS H H 72 8.450 8.450 8.569 -0.119 26068 7255 1 15 . 1 1 73 73 GLN N N 73 117.620 117.620 122.103 -4.483 26068 7256 1 15 . 1 1 73 73 GLN HA H 73 4.200 4.200 4.455 -0.255 26068 7257 1 15 . 1 1 73 73 GLN C C 73 174.700 174.700 174.360 0.340 26068 7258 1 15 . 1 1 73 73 GLN CA C 73 54.250 54.250 55.159 -0.909 26068 7259 1 15 . 1 1 73 73 GLN H H 73 7.600 7.600 8.090 -0.490 26068 7260 1 15 . 1 1 74 74 LYS N N 74 122.530 122.530 123.589 -1.059 26068 7261 1 15 . 1 1 74 74 LYS C C 74 175.840 175.840 175.571 0.269 26068 7262 1 15 . 1 1 74 74 LYS CA C 74 55.900 55.900 57.616 -1.716 26068 7263 1 15 . 1 1 74 74 LYS H H 74 8.500 8.500 8.523 -0.023 26068 7264 1 15 . 1 1 75 75 ILE N N 75 121.120 121.120 123.998 -2.878 26068 7265 1 15 . 1 1 75 75 ILE HA H 75 4.440 4.440 4.329 0.111 26068 7266 1 15 . 1 1 75 75 ILE C C 75 174.000 174.000 174.420 -0.420 26068 7267 1 15 . 1 1 75 75 ILE CA C 75 58.750 58.750 60.924 -2.174 26068 7268 1 15 . 1 1 75 75 ILE H H 75 8.480 8.480 8.515 -0.035 26068 7269 1 15 . 1 1 76 76 GLN N N 76 123.280 123.280 126.342 -3.062 26068 7270 1 15 . 1 1 76 76 GLN C C 76 174.000 174.000 174.643 -0.643 26068 7271 1 15 . 1 1 76 76 GLN CA C 76 54.220 54.220 54.936 -0.716 26068 7272 1 15 . 1 1 76 76 GLN H H 76 8.510 8.510 8.593 -0.083 26068 7273 1 15 . 1 1 77 77 ILE N N 77 115.590 115.590 125.012 -9.422 26068 7274 1 15 . 1 1 77 77 ILE CA C 77 60.710 60.710 59.013 1.697 26068 7275 1 15 . 1 1 77 77 ILE H H 77 8.420 8.420 8.809 -0.389 26068 7276 1 15 . 1 1 78 78 PRO C C 78 176.070 176.070 176.260 -0.190 26068 7277 1 15 . 1 1 79 79 ALA N N 79 123.150 123.150 121.391 1.759 26068 7278 1 15 . 1 1 79 79 ALA HA H 79 3.990 3.990 4.183 -0.193 26068 7279 1 15 . 1 1 79 79 ALA C C 79 176.740 176.740 177.681 -0.941 26068 7280 1 15 . 1 1 79 79 ALA CA C 79 51.670 51.670 52.681 -1.011 26068 7281 1 15 . 1 1 79 79 ALA CB C 79 18.710 18.710 19.450 -0.740 26068 7282 1 15 . 1 1 79 79 ALA H H 79 8.490 8.490 8.374 0.116 26068 7283 1 15 . 1 1 80 80 GLY N N 80 109.540 109.540 108.107 1.433 26068 7284 1 15 . 1 1 80 80 GLY C C 80 172.350 172.350 172.107 0.243 26068 7285 1 15 . 1 1 80 80 GLY CA C 80 43.650 43.650 45.078 -1.427 26068 7286 1 15 . 1 1 80 80 GLY H H 80 7.960 7.960 8.295 -0.335 26068 7287 1 15 . 1 1 81 81 LYS N N 81 120.310 120.310 121.231 -0.921 26068 7288 1 15 . 1 1 81 81 LYS C C 81 174.920 174.920 174.990 -0.070 26068 7289 1 15 . 1 1 81 81 LYS CA C 81 54.330 54.330 54.701 -0.371 26068 7290 1 15 . 1 1 81 81 LYS H H 81 8.330 8.330 8.213 0.117 26068 7291 1 15 . 1 1 82 82 LYS N N 82 121.710 121.710 120.077 1.633 26068 7292 1 15 . 1 1 82 82 LYS HA H 82 4.670 4.670 4.721 -0.051 26068 7293 1 15 . 1 1 82 82 LYS C C 82 173.360 173.360 174.820 -1.460 26068 7294 1 15 . 1 1 82 82 LYS CA C 82 53.910 53.910 55.055 -1.145 26068 7295 1 15 . 1 1 82 82 LYS CB C 82 35.200 35.200 35.717 -0.517 26068 7296 1 15 . 1 1 82 82 LYS H H 82 8.970 8.970 8.978 -0.008 26068 7297 1 15 . 1 1 83 83 ILE N N 83 123.310 123.310 123.296 0.014 26068 7298 1 15 . 1 1 83 83 ILE HA H 83 4.700 4.700 4.180 0.520 26068 7299 1 15 . 1 1 83 83 ILE C C 83 173.820 173.820 176.067 -2.247 26068 7300 1 15 . 1 1 83 83 ILE CA C 83 60.200 60.200 62.535 -2.335 26068 7301 1 15 . 1 1 83 83 ILE CB C 83 37.960 37.960 38.460 -0.500 26068 7302 1 15 . 1 1 83 83 ILE H H 83 8.470 8.470 8.693 -0.223 26068 7303 1 15 . 1 1 84 84 LYS N N 84 127.190 127.190 127.206 -0.016 26068 7304 1 15 . 1 1 84 84 LYS HA H 84 4.700 4.700 4.672 0.028 26068 7305 1 15 . 1 1 84 84 LYS C C 84 173.770 173.770 174.095 -0.325 26068 7306 1 15 . 1 1 84 84 LYS CA C 84 53.260 53.260 55.011 -1.751 26068 7307 1 15 . 1 1 84 84 LYS CB C 84 35.070 35.070 36.606 -1.536 26068 7308 1 15 . 1 1 84 84 LYS H H 84 9.160 9.160 8.905 0.255 26068 7309 1 15 . 1 1 85 85 LEU N N 85 125.120 125.120 123.587 1.533 26068 7310 1 15 . 1 1 85 85 LEU HA H 85 4.690 4.690 4.522 0.168 26068 7311 1 15 . 1 1 85 85 LEU C C 85 175.520 175.520 175.799 -0.279 26068 7312 1 15 . 1 1 85 85 LEU CA C 85 52.080 52.080 54.536 -2.456 26068 7313 1 15 . 1 1 85 85 LEU CB C 85 43.670 43.670 44.606 -0.936 26068 7314 1 15 . 1 1 85 85 LEU H H 85 8.620 8.620 8.451 0.169 26068 7315 1 15 . 1 1 86 86 THR N N 86 124.610 124.610 121.274 3.336 26068 7316 1 15 . 1 1 86 86 THR HA H 86 4.550 4.550 4.514 0.036 26068 7317 1 15 . 1 1 86 86 THR C C 86 174.770 174.770 173.549 1.221 26068 7318 1 15 . 1 1 86 86 THR CA C 86 60.440 60.440 61.053 -0.613 26068 7319 1 15 . 1 1 86 86 THR CB C 86 68.040 68.040 68.322 -0.282 26068 7320 1 15 . 1 1 86 86 THR H H 86 8.770 8.770 9.114 -0.344 26068 7321 1 15 . 1 1 87 87 VAL C C 87 174.810 174.810 176.401 -1.591 26068 7322 1 15 . 1 1 87 87 VAL CA C 87 63.170 63.170 61.629 1.541 26068 7323 1 15 . 1 1 88 88 SER N N 88 122.640 122.640 118.199 4.441 26068 7324 1 15 . 1 1 88 88 SER HA H 88 4.470 4.470 4.477 -0.007 26068 7325 1 15 . 1 1 88 88 SER CA C 88 56.790 56.790 57.952 -1.162 26068 7326 1 15 . 1 1 88 88 SER H H 88 8.330 8.330 8.466 -0.136 26068 7327 1 15 . 1 1 89 89 LYS C C 89 176.560 176.560 178.103 -1.543 26068 7328 1 15 . 1 1 90 90 ILE N N 90 117.640 117.640 120.119 -2.479 26068 7329 1 15 . 1 1 90 90 ILE HA H 90 3.700 3.700 3.958 -0.258 26068 7330 1 15 . 1 1 90 90 ILE C C 90 178.250 178.250 176.064 2.186 26068 7331 1 15 . 1 1 90 90 ILE CA C 90 63.200 63.200 62.955 0.245 26068 7332 1 15 . 1 1 90 90 ILE CB C 90 36.230 36.230 38.065 -1.835 26068 7333 1 15 . 1 1 90 90 ILE H H 90 7.930 7.930 7.482 0.448 26068 7334 1 15 . 1 1 91 91 LEU N N 91 121.350 121.350 117.962 3.388 26068 7335 1 15 . 1 1 91 91 LEU HA H 91 4.210 4.210 4.635 -0.425 26068 7336 1 15 . 1 1 91 91 LEU C C 91 177.410 177.410 175.953 1.457 26068 7337 1 15 . 1 1 91 91 LEU CA C 91 56.750 56.750 54.658 2.092 26068 7338 1 15 . 1 1 91 91 LEU CB C 91 39.561 39.561 42.758 -3.197 26068 7339 1 15 . 1 1 91 91 LEU H H 91 7.380 7.380 7.546 -0.166 26068 7340 1 15 . 1 1 92 92 THR N N 92 113.940 113.940 113.132 0.808 26068 7341 1 15 . 1 1 92 92 THR HA H 92 3.670 3.670 4.541 -0.871 26068 7342 1 15 . 1 1 92 92 THR C C 92 176.170 176.170 173.159 3.011 26068 7343 1 15 . 1 1 92 92 THR CA C 92 66.150 66.150 62.035 4.115 26068 7344 1 15 . 1 1 92 92 THR CB C 92 66.950 66.950 69.352 -2.402 26068 7345 1 15 . 1 1 92 92 THR H H 92 7.780 7.780 7.992 -0.212 26068 7346 1 15 . 1 1 93 93 ASP N N 93 121.580 121.580 121.236 0.344 26068 7347 1 15 . 1 1 93 93 ASP HA H 93 4.360 4.360 4.877 -0.517 26068 7348 1 15 . 1 1 93 93 ASP C C 93 178.020 178.020 175.366 2.654 26068 7349 1 15 . 1 1 93 93 ASP CA C 93 56.140 56.140 53.995 2.145 26068 7350 1 15 . 1 1 93 93 ASP CB C 93 38.730 38.730 42.613 -3.883 26068 7351 1 15 . 1 1 93 93 ASP H H 93 8.790 8.790 7.575 1.215 26068 7352 1 15 . 1 1 94 94 ALA N N 94 124.610 124.610 127.151 -2.541 26068 7353 1 15 . 1 1 94 94 ALA HA H 94 4.130 4.130 3.919 0.211 26068 7354 1 15 . 1 1 94 94 ALA C C 94 180.080 180.080 175.933 4.147 26068 7355 1 15 . 1 1 94 94 ALA CA C 94 54.120 54.120 54.044 0.076 26068 7356 1 15 . 1 1 94 94 ALA CB C 94 17.110 17.110 18.492 -1.382 26068 7357 1 15 . 1 1 94 94 ALA H H 94 8.050 8.050 8.808 -0.758 26068 7358 1 15 . 1 1 95 95 VAL N N 95 119.040 119.040 115.283 3.757 26068 7359 1 15 . 1 1 95 95 VAL HA H 95 3.650 3.650 4.274 -0.624 26068 7360 1 15 . 1 1 95 95 VAL C C 95 177.260 177.260 175.152 2.108 26068 7361 1 15 . 1 1 95 95 VAL CA C 95 65.350 65.350 60.880 4.470 26068 7362 1 15 . 1 1 95 95 VAL CB C 95 30.640 30.640 34.249 -3.609 26068 7363 1 15 . 1 1 95 95 VAL H H 95 8.110 8.110 7.283 0.827 26068 7364 1 15 . 1 1 96 96 ASP N N 96 119.550 119.550 123.398 -3.848 26068 7365 1 15 . 1 1 96 96 ASP HA H 96 4.460 4.460 4.440 0.020 26068 7366 1 15 . 1 1 96 96 ASP C C 96 176.710 176.710 175.797 0.913 26068 7367 1 15 . 1 1 96 96 ASP CA C 96 55.790 55.790 56.704 -0.914 26068 7368 1 15 . 1 1 96 96 ASP CB C 96 40.140 40.140 40.099 0.041 26068 7369 1 15 . 1 1 96 96 ASP H H 96 7.970 7.970 8.796 -0.826 26068 7370 1 15 . 1 1 97 97 SER N N 97 112.600 112.600 116.350 -3.750 26068 7371 1 15 . 1 1 97 97 SER HA H 97 4.420 4.420 4.585 -0.165 26068 7372 1 15 . 1 1 97 97 SER CA C 97 58.290 58.290 58.867 -0.577 26068 7373 1 15 . 1 1 97 97 SER CB C 97 62.720 62.720 65.339 -2.619 26068 7374 1 15 . 1 1 97 97 SER H H 97 7.870 7.870 8.272 -0.402 26068 7375 1 15 . 1 1 98 98 HIS N N 98 122.580 122.580 120.852 1.728 26068 7376 1 15 . 1 1 98 98 HIS HA H 98 4.090 4.090 4.643 -0.553 26068 7377 1 15 . 1 1 98 98 HIS C C 98 173.400 173.400 172.782 0.618 26068 7378 1 15 . 1 1 98 98 HIS CA C 98 57.400 57.400 56.677 0.723 26068 7379 1 15 . 1 1 98 98 HIS CB C 98 29.810 29.810 32.309 -2.499 26068 7380 1 15 . 1 1 98 98 HIS H H 98 7.340 7.340 7.391 -0.051 26068 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 91 4.031 0.005 4.053 26068 2 1 1 "Average Difference" HA 66 0.417 0.056 0.417 26068 3 1 1 "Average Difference" C 90 1.496 0.405 1.448 26068 4 1 1 "Average Difference" CA 93 1.470 0.223 1.461 26068 5 1 1 "Average Difference" CB 65 1.646 0.974 1.337 26068 6 1 1 "Average Difference" HN 91 0.582 -0.115 0.574 26068 7 1 2 "Average Difference" N 91 3.922 -0.289 3.933 26068 8 1 2 "Average Difference" HA 66 0.399 0.085 0.393 26068 9 1 2 "Average Difference" C 90 1.512 0.197 1.508 26068 10 1 2 "Average Difference" CA 93 1.313 0.104 1.316 26068 11 1 2 "Average Difference" CB 65 1.834 1.069 1.502 26068 12 1 2 "Average Difference" HN 91 0.577 -0.119 0.568 26068 13 1 3 "Average Difference" N 91 4.209 -0.209 4.227 26068 14 1 3 "Average Difference" HA 66 0.417 0.085 0.412 26068 15 1 3 "Average Difference" C 90 1.512 0.129 1.515 26068 16 1 3 "Average Difference" CA 93 1.403 0.087 1.408 26068 17 1 3 "Average Difference" CB 65 1.787 1.030 1.472 26068 18 1 3 "Average Difference" HN 91 0.600 -0.117 0.591 26068 19 1 4 "Average Difference" N 91 4.054 -0.368 4.060 26068 20 1 4 "Average Difference" HA 66 0.403 0.085 0.397 26068 21 1 4 "Average Difference" C 90 1.589 0.121 1.594 26068 22 1 4 "Average Difference" CA 93 1.459 0.108 1.463 26068 23 1 4 "Average Difference" CB 65 1.815 0.941 1.564 26068 24 1 4 "Average Difference" HN 91 0.583 -0.158 0.564 26068 25 1 5 "Average Difference" N 91 3.965 -0.227 3.981 26068 26 1 5 "Average Difference" HA 66 0.439 0.111 0.428 26068 27 1 5 "Average Difference" C 90 1.652 0.153 1.654 26068 28 1 5 "Average Difference" CA 93 1.446 0.051 1.453 26068 29 1 5 "Average Difference" CB 65 1.667 0.917 1.404 26068 30 1 5 "Average Difference" HN 91 0.600 -0.118 0.592 26068 31 1 6 "Average Difference" N 91 4.275 -0.468 4.273 26068 32 1 6 "Average Difference" HA 66 0.425 0.082 0.420 26068 33 1 6 "Average Difference" C 90 1.566 0.087 1.572 26068 34 1 6 "Average Difference" CA 93 1.458 -0.028 1.465 26068 35 1 6 "Average Difference" CB 65 1.753 1.006 1.447 26068 36 1 6 "Average Difference" HN 91 0.637 -0.161 0.619 26068 37 1 7 "Average Difference" N 91 4.372 -0.167 4.393 26068 38 1 7 "Average Difference" HA 66 0.403 0.101 0.393 26068 39 1 7 "Average Difference" C 90 1.619 0.089 1.626 26068 40 1 7 "Average Difference" CA 93 1.506 0.017 1.514 26068 41 1 7 "Average Difference" CB 65 1.851 1.030 1.550 26068 42 1 7 "Average Difference" HN 91 0.588 -0.087 0.585 26068 43 1 8 "Average Difference" N 91 4.136 -0.473 4.132 26068 44 1 8 "Average Difference" HA 66 0.408 0.091 0.400 26068 45 1 8 "Average Difference" C 90 1.579 0.015 1.588 26068 46 1 8 "Average Difference" CA 93 1.503 -0.069 1.509 26068 47 1 8 "Average Difference" CB 65 1.869 1.136 1.496 26068 48 1 8 "Average Difference" HN 91 0.621 -0.114 0.614 26068 49 1 9 "Average Difference" N 91 4.043 -0.453 4.040 26068 50 1 9 "Average Difference" HA 66 0.412 0.131 0.393 26068 51 1 9 "Average Difference" C 90 1.603 0.086 1.610 26068 52 1 9 "Average Difference" CA 93 1.406 -0.088 1.411 26068 53 1 9 "Average Difference" CB 65 1.878 1.155 1.493 26068 54 1 9 "Average Difference" HN 91 0.627 -0.145 0.613 26068 55 1 10 "Average Difference" N 91 4.040 -0.653 4.009 26068 56 1 10 "Average Difference" HA 66 0.386 0.079 0.381 26068 57 1 10 "Average Difference" C 90 1.563 0.166 1.563 26068 58 1 10 "Average Difference" CA 93 1.385 0.005 1.392 26068 59 1 10 "Average Difference" CB 65 1.899 1.034 1.606 26068 60 1 10 "Average Difference" HN 91 0.605 -0.116 0.597 26068 61 1 11 "Average Difference" N 91 4.084 -0.161 4.103 26068 62 1 11 "Average Difference" HA 66 0.384 0.045 0.385 26068 63 1 11 "Average Difference" C 90 1.618 0.154 1.619 26068 64 1 11 "Average Difference" CA 93 1.321 0.110 1.323 26068 65 1 11 "Average Difference" CB 65 1.964 1.069 1.660 26068 66 1 11 "Average Difference" HN 91 0.658 -0.109 0.652 26068 67 1 12 "Average Difference" N 91 3.753 -0.428 3.750 26068 68 1 12 "Average Difference" HA 66 0.402 0.077 0.397 26068 69 1 12 "Average Difference" C 90 1.576 0.215 1.570 26068 70 1 12 "Average Difference" CA 93 1.403 0.140 1.403 26068 71 1 12 "Average Difference" CB 65 1.967 1.183 1.583 26068 72 1 12 "Average Difference" HN 91 0.609 -0.122 0.600 26068 73 1 13 "Average Difference" N 91 3.890 -0.338 3.897 26068 74 1 13 "Average Difference" HA 66 0.359 0.111 0.344 26068 75 1 13 "Average Difference" C 90 1.666 0.159 1.668 26068 76 1 13 "Average Difference" CA 93 1.424 0.031 1.431 26068 77 1 13 "Average Difference" CB 65 1.754 1.096 1.380 26068 78 1 13 "Average Difference" HN 91 0.617 -0.119 0.609 26068 79 1 14 "Average Difference" N 91 3.754 -0.249 3.767 26068 80 1 14 "Average Difference" HA 66 0.388 0.056 0.386 26068 81 1 14 "Average Difference" C 90 1.625 0.233 1.617 26068 82 1 14 "Average Difference" CA 93 1.527 0.255 1.513 26068 83 1 14 "Average Difference" CB 65 1.733 1.030 1.404 26068 84 1 14 "Average Difference" HN 91 0.604 -0.084 0.601 26068 85 1 15 "Average Difference" N 91 3.679 -0.356 3.682 26068 86 1 15 "Average Difference" HA 66 0.372 0.093 0.363 26068 87 1 15 "Average Difference" C 90 1.593 0.199 1.590 26068 88 1 15 "Average Difference" CA 93 1.456 0.226 1.446 26068 89 1 15 "Average Difference" CB 65 1.748 1.091 1.376 26068 90 1 15 "Average Difference" HN 91 0.570 -0.116 0.561 26068 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 26068 _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 ALA N N 2 125.690 125.690 126.211 -0.521 26068 2 1 . 1 1 2 2 ALA C C 2 176.530 176.530 176.677 -0.147 26068 3 1 . 1 1 2 2 ALA CA C 2 51.730 51.730 51.757 -0.027 26068 4 1 . 1 1 2 2 ALA H H 2 8.250 8.250 8.458 -0.208 26068 5 1 . 1 1 3 3 LYS N N 3 121.040 121.040 122.335 -1.295 26068 6 1 . 1 1 3 3 LYS C C 3 175.520 175.520 175.576 -0.056 26068 7 1 . 1 1 3 3 LYS CA C 3 55.230 55.230 55.990 -0.760 26068 8 1 . 1 1 3 3 LYS H H 3 8.210 8.210 8.349 -0.139 26068 9 1 . 1 1 4 4 ILE N N 4 122.490 122.490 123.169 -0.679 26068 10 1 . 1 1 4 4 ILE HA H 4 4.180 4.180 4.217 -0.037 26068 11 1 . 1 1 4 4 ILE C C 4 174.950 174.950 175.591 -0.641 26068 12 1 . 1 1 4 4 ILE CA C 4 59.870 59.870 60.718 -0.848 26068 13 1 . 1 1 4 4 ILE H H 4 8.170 8.170 8.298 -0.128 26068 14 1 . 1 1 5 5 LYS N N 5 126.600 126.600 127.384 -0.784 26068 15 1 . 1 1 5 5 LYS C C 5 174.330 174.330 175.917 -1.587 26068 16 1 . 1 1 5 5 LYS CA C 5 55.060 55.060 56.188 -1.128 26068 17 1 . 1 1 5 5 LYS H H 5 8.320 8.320 8.435 -0.115 26068 18 1 . 1 1 6 6 SER N N 6 118.400 118.400 119.583 -1.183 26068 19 1 . 1 1 6 6 SER C C 6 174.220 174.220 174.014 0.206 26068 20 1 . 1 1 6 6 SER CA C 6 56.300 56.300 58.094 -1.794 26068 21 1 . 1 1 6 6 SER H H 6 8.200 8.200 8.441 -0.241 26068 22 1 . 1 1 7 7 LEU N N 7 125.400 125.400 120.923 4.477 26068 23 1 . 1 1 7 7 LEU C C 7 177.730 177.730 175.520 2.210 26068 24 1 . 1 1 7 7 LEU CA C 7 54.950 54.950 54.673 0.277 26068 25 1 . 1 1 7 7 LEU CB C 7 42.000 42.000 43.351 -1.351 26068 26 1 . 1 1 7 7 LEU H H 7 9.050 9.050 8.331 0.719 26068 27 1 . 1 1 8 8 SER N N 8 124.870 124.870 115.536 9.334 26068 28 1 . 1 1 8 8 SER HA H 8 4.510 4.510 4.649 -0.139 26068 29 1 . 1 1 8 8 SER C C 8 173.810 173.810 175.401 -1.591 26068 30 1 . 1 1 8 8 SER CA C 8 56.740 56.740 57.669 -0.928 26068 31 1 . 1 1 8 8 SER CB C 8 64.390 64.390 64.202 0.188 26068 32 1 . 1 1 8 8 SER H H 8 9.140 9.140 8.385 0.755 26068 33 1 . 1 1 9 9 ALA N N 9 124.340 124.340 124.518 -0.178 26068 34 1 . 1 1 9 9 ALA HA H 9 4.400 4.400 4.306 0.094 26068 35 1 . 1 1 9 9 ALA C C 9 178.940 178.940 179.174 -0.234 26068 36 1 . 1 1 9 9 ALA CA C 9 54.940 54.940 54.325 0.615 26068 37 1 . 1 1 9 9 ALA H H 9 8.710 8.710 8.510 0.200 26068 38 1 . 1 1 10 10 ALA N N 10 117.990 117.990 120.556 -2.566 26068 39 1 . 1 1 10 10 ALA C C 10 180.600 180.600 179.516 1.084 26068 40 1 . 1 1 10 10 ALA CA C 10 54.380 54.380 54.361 0.019 26068 41 1 . 1 1 10 10 ALA CB C 10 17.240 17.240 18.409 -1.169 26068 42 1 . 1 1 10 10 ALA H H 10 8.380 8.380 8.325 0.055 26068 43 1 . 1 1 11 11 GLU N N 11 118.900 118.900 118.594 0.306 26068 44 1 . 1 1 11 11 GLU HA H 11 4.040 4.040 4.160 -0.120 26068 45 1 . 1 1 11 11 GLU C C 11 177.770 177.770 178.098 -0.328 26068 46 1 . 1 1 11 11 GLU CA C 11 58.210 58.210 58.247 -0.037 26068 47 1 . 1 1 11 11 GLU CB C 11 29.310 29.310 29.538 -0.228 26068 48 1 . 1 1 11 11 GLU H H 11 7.780 7.780 8.035 -0.255 26068 49 1 . 1 1 12 12 TYR N N 12 125.590 125.590 119.860 5.730 26068 50 1 . 1 1 12 12 TYR C C 12 179.280 179.280 176.952 2.328 26068 51 1 . 1 1 12 12 TYR CA C 12 59.690 59.690 60.285 -0.595 26068 52 1 . 1 1 12 12 TYR CB C 12 37.530 37.530 38.881 -1.351 26068 53 1 . 1 1 12 12 TYR H H 12 8.800 8.800 7.736 1.064 26068 54 1 . 1 1 13 13 LEU N N 13 118.240 118.240 117.770 0.470 26068 55 1 . 1 1 13 13 LEU HA H 13 4.130 4.130 3.793 0.337 26068 56 1 . 1 1 13 13 LEU C C 13 177.790 177.790 178.117 -0.327 26068 57 1 . 1 1 13 13 LEU CA C 13 58.180 58.180 56.952 1.228 26068 58 1 . 1 1 13 13 LEU CB C 13 41.290 41.290 41.463 -0.173 26068 59 1 . 1 1 13 13 LEU H H 13 8.770 8.770 7.701 1.069 26068 60 1 . 1 1 14 14 LYS N N 14 118.870 118.870 117.058 1.812 26068 61 1 . 1 1 14 14 LYS HA H 14 3.980 3.980 4.046 -0.066 26068 62 1 . 1 1 14 14 LYS C C 14 177.090 177.090 178.312 -1.222 26068 63 1 . 1 1 14 14 LYS CA C 14 58.610 58.610 58.522 0.088 26068 64 1 . 1 1 14 14 LYS CB C 14 31.220 31.220 32.037 -0.817 26068 65 1 . 1 1 14 14 LYS H H 14 7.790 7.790 7.696 0.094 26068 66 1 . 1 1 15 15 GLU N N 15 119.560 119.560 119.584 -0.024 26068 67 1 . 1 1 15 15 GLU HA H 15 4.050 4.050 4.211 -0.161 26068 68 1 . 1 1 15 15 GLU C C 15 179.660 179.660 177.649 2.011 26068 69 1 . 1 1 15 15 GLU CA C 15 59.260 59.260 57.759 1.501 26068 70 1 . 1 1 15 15 GLU CB C 15 28.010 28.010 29.705 -1.695 26068 71 1 . 1 1 15 15 GLU H H 15 8.330 8.330 7.667 0.663 26068 72 1 . 1 1 16 16 MET N N 16 116.760 116.760 118.579 -1.819 26068 73 1 . 1 1 16 16 MET HA H 16 4.420 4.420 4.423 -0.003 26068 74 1 . 1 1 16 16 MET C C 16 178.960 178.960 176.437 2.523 26068 75 1 . 1 1 16 16 MET CA C 16 58.200 58.200 54.733 3.467 26068 76 1 . 1 1 16 16 MET CB C 16 34.370 34.370 31.974 2.396 26068 77 1 . 1 1 16 16 MET H H 16 7.940 7.940 7.600 0.340 26068 78 1 . 1 1 17 17 ALA N N 17 128.000 128.000 122.610 5.390 26068 79 1 . 1 1 17 17 ALA HA H 17 4.210 4.210 4.065 0.145 26068 80 1 . 1 1 17 17 ALA C C 17 179.620 179.620 178.316 1.304 26068 81 1 . 1 1 17 17 ALA CA C 17 54.760 54.760 54.451 0.309 26068 82 1 . 1 1 17 17 ALA CB C 17 17.750 17.750 18.375 -0.625 26068 83 1 . 1 1 17 17 ALA H H 17 8.820 8.820 7.623 1.197 26068 84 1 . 1 1 18 18 ASP N N 18 119.660 119.660 116.689 2.971 26068 85 1 . 1 1 18 18 ASP HA H 18 4.420 4.420 4.508 -0.088 26068 86 1 . 1 1 18 18 ASP C C 18 177.750 177.750 177.183 0.567 26068 87 1 . 1 1 18 18 ASP CA C 18 55.790 55.790 55.561 0.229 26068 88 1 . 1 1 18 18 ASP CB C 18 38.980 38.980 40.920 -1.940 26068 89 1 . 1 1 18 18 ASP H H 18 8.770 8.770 8.226 0.544 26068 90 1 . 1 1 19 19 GLU N N 19 117.150 117.150 118.597 -1.447 26068 91 1 . 1 1 19 19 GLU HA H 19 4.190 4.190 4.370 -0.180 26068 92 1 . 1 1 19 19 GLU C C 19 177.540 177.540 176.445 1.095 26068 93 1 . 1 1 19 19 GLU CA C 19 57.750 57.750 56.893 0.857 26068 94 1 . 1 1 19 19 GLU CB C 19 29.360 29.360 30.437 -1.076 26068 95 1 . 1 1 19 19 GLU H H 19 7.620 7.620 7.951 -0.331 26068 96 1 . 1 1 20 20 THR N N 20 105.730 105.730 112.794 -7.064 26068 97 1 . 1 1 20 20 THR HA H 20 4.120 4.120 4.581 -0.461 26068 98 1 . 1 1 20 20 THR C C 20 174.800 174.800 173.923 0.877 26068 99 1 . 1 1 20 20 THR CA C 20 62.200 62.200 61.385 0.815 26068 100 1 . 1 1 20 20 THR CB C 20 70.870 70.870 69.236 1.634 26068 101 1 . 1 1 20 20 THR H H 20 7.900 7.900 7.759 0.141 26068 102 1 . 1 1 21 21 ASN N N 21 116.950 116.950 122.212 -5.262 26068 103 1 . 1 1 21 21 ASN HA H 21 4.390 4.390 4.764 -0.374 26068 104 1 . 1 1 21 21 ASN C C 21 173.060 173.060 175.788 -2.728 26068 105 1 . 1 1 21 21 ASN CA C 21 54.210 54.210 53.920 0.290 26068 106 1 . 1 1 21 21 ASN CB C 21 36.870 36.870 38.834 -1.965 26068 107 1 . 1 1 21 21 ASN H H 21 8.460 8.460 8.492 -0.032 26068 108 1 . 1 1 22 22 ILE N N 22 121.830 121.830 117.067 4.763 26068 109 1 . 1 1 22 22 ILE HA H 22 4.140 4.140 4.294 -0.154 26068 110 1 . 1 1 22 22 ILE C C 22 174.780 174.780 175.569 -0.789 26068 111 1 . 1 1 22 22 ILE CA C 22 59.100 59.100 61.952 -2.852 26068 112 1 . 1 1 22 22 ILE CB C 22 37.060 37.060 38.569 -1.509 26068 113 1 . 1 1 22 22 ILE H H 22 7.680 7.680 8.041 -0.361 26068 114 1 . 1 1 23 23 LYS N N 23 124.750 124.750 119.068 5.682 26068 115 1 . 1 1 23 23 LYS HA H 23 4.140 4.140 4.511 -0.371 26068 116 1 . 1 1 23 23 LYS C C 23 178.550 178.550 174.296 4.254 26068 117 1 . 1 1 23 23 LYS CA C 23 55.940 55.940 55.483 0.457 26068 118 1 . 1 1 23 23 LYS CB C 23 31.670 31.670 35.031 -3.361 26068 119 1 . 1 1 23 23 LYS H H 23 8.510 8.510 7.359 1.151 26068 120 1 . 1 1 24 24 VAL N N 24 122.570 122.570 120.036 2.534 26068 121 1 . 1 1 24 24 VAL C C 24 176.350 176.350 176.137 0.213 26068 122 1 . 1 1 24 24 VAL CA C 24 66.090 66.090 63.786 2.304 26068 123 1 . 1 1 24 24 VAL CB C 24 30.640 30.640 33.529 -2.889 26068 124 1 . 1 1 24 24 VAL H H 24 8.800 8.800 8.689 0.111 26068 125 1 . 1 1 25 25 GLN N N 25 117.730 117.730 119.819 -2.089 26068 126 1 . 1 1 25 25 GLN C C 25 177.420 177.420 177.368 0.052 26068 127 1 . 1 1 25 25 GLN CA C 25 58.500 58.500 58.294 0.206 26068 128 1 . 1 1 25 25 GLN CB C 25 26.800 26.800 28.427 -1.627 26068 129 1 . 1 1 25 25 GLN H H 25 8.950 8.950 8.530 0.420 26068 130 1 . 1 1 26 26 ASP N N 26 120.360 120.360 119.776 0.584 26068 131 1 . 1 1 26 26 ASP HA H 26 4.610 4.610 4.534 0.076 26068 132 1 . 1 1 26 26 ASP C C 26 177.320 177.320 177.729 -0.409 26068 133 1 . 1 1 26 26 ASP CA C 26 55.980 55.980 56.582 -0.602 26068 134 1 . 1 1 26 26 ASP CB C 26 39.240 39.240 40.165 -0.925 26068 135 1 . 1 1 26 26 ASP H H 26 7.100 7.100 8.711 -1.611 26068 136 1 . 1 1 27 27 ILE N N 27 120.730 120.730 119.257 1.473 26068 137 1 . 1 1 27 27 ILE C C 27 177.470 177.470 177.435 0.035 26068 138 1 . 1 1 27 27 ILE CA C 27 65.110 65.110 63.047 2.063 26068 139 1 . 1 1 27 27 ILE CB C 27 35.840 35.840 37.261 -1.421 26068 140 1 . 1 1 27 27 ILE H H 27 7.950 7.950 7.552 0.398 26068 141 1 . 1 1 28 28 ARG N N 28 118.340 118.340 119.488 -1.148 26068 142 1 . 1 1 28 28 ARG C C 28 178.150 178.150 178.678 -0.528 26068 143 1 . 1 1 28 28 ARG CA C 28 59.040 59.040 59.484 -0.444 26068 144 1 . 1 1 28 28 ARG CB C 28 28.910 28.910 29.964 -1.054 26068 145 1 . 1 1 28 28 ARG H H 28 8.640 8.640 7.644 0.996 26068 146 1 . 1 1 29 29 LEU N N 29 119.800 119.800 119.043 0.757 26068 147 1 . 1 1 29 29 LEU HA H 29 4.050 4.050 4.133 -0.083 26068 148 1 . 1 1 29 29 LEU C C 29 178.970 178.970 178.598 0.372 26068 149 1 . 1 1 29 29 LEU CA C 29 57.150 57.150 57.457 -0.307 26068 150 1 . 1 1 29 29 LEU CB C 29 40.840 40.840 41.702 -0.862 26068 151 1 . 1 1 29 29 LEU H H 29 7.340 7.340 7.701 -0.361 26068 152 1 . 1 1 30 30 VAL N N 30 120.200 120.200 119.152 1.048 26068 153 1 . 1 1 30 30 VAL HA H 30 3.410 3.410 3.741 -0.331 26068 154 1 . 1 1 30 30 VAL C C 30 176.580 176.580 178.355 -1.775 26068 155 1 . 1 1 30 30 VAL CA C 30 66.490 66.490 65.906 0.584 26068 156 1 . 1 1 30 30 VAL CB C 30 30.390 30.390 31.398 -1.008 26068 157 1 . 1 1 30 30 VAL H H 30 7.930 7.930 7.445 0.485 26068 158 1 . 1 1 31 31 VAL N N 31 119.110 119.110 119.089 0.021 26068 159 1 . 1 1 31 31 VAL HA H 31 3.210 3.210 3.699 -0.489 26068 160 1 . 1 1 31 31 VAL C C 31 177.750 177.750 177.736 0.014 26068 161 1 . 1 1 31 31 VAL CA C 31 66.040 66.040 66.009 0.031 26068 162 1 . 1 1 31 31 VAL CB C 31 29.870 29.870 31.079 -1.209 26068 163 1 . 1 1 31 31 VAL H H 31 8.520 8.520 7.880 0.640 26068 164 1 . 1 1 32 32 THR N N 32 118.400 118.400 114.897 3.503 26068 165 1 . 1 1 32 32 THR C C 32 175.680 175.680 176.414 -0.734 26068 166 1 . 1 1 32 32 THR CA C 32 66.440 66.440 66.355 0.085 26068 167 1 . 1 1 32 32 THR CB C 32 67.470 67.470 68.810 -1.340 26068 168 1 . 1 1 32 32 THR H H 32 8.220 8.220 7.720 0.500 26068 169 1 . 1 1 33 33 SER N N 33 118.470 118.470 118.382 0.088 26068 170 1 . 1 1 33 33 SER HA H 33 4.330 4.330 4.203 0.127 26068 171 1 . 1 1 33 33 SER C C 33 175.560 175.560 176.409 -0.849 26068 172 1 . 1 1 33 33 SER CA C 33 60.860 60.860 61.709 -0.849 26068 173 1 . 1 1 33 33 SER CB C 33 62.720 62.720 62.758 -0.038 26068 174 1 . 1 1 33 33 SER H H 33 7.820 7.820 8.021 -0.201 26068 175 1 . 1 1 34 34 LEU N N 34 120.790 120.790 121.816 -1.026 26068 176 1 . 1 1 34 34 LEU C C 34 180.120 180.120 178.825 1.295 26068 177 1 . 1 1 34 34 LEU CA C 34 58.680 58.680 57.677 1.003 26068 178 1 . 1 1 34 34 LEU CB C 34 41.870 41.870 41.590 0.280 26068 179 1 . 1 1 34 34 LEU H H 34 8.940 8.940 7.624 1.316 26068 180 1 . 1 1 35 35 GLN N N 35 117.680 117.680 116.998 0.682 26068 181 1 . 1 1 35 35 GLN HA H 35 3.800 3.800 4.147 -0.347 26068 182 1 . 1 1 35 35 GLN C C 35 176.160 176.160 178.318 -2.158 26068 183 1 . 1 1 35 35 GLN CA C 35 58.910 58.910 57.555 1.355 26068 184 1 . 1 1 35 35 GLN CB C 35 29.040 29.040 28.269 0.771 26068 185 1 . 1 1 35 35 GLN H H 35 7.670 7.670 7.839 -0.169 26068 186 1 . 1 1 36 36 LYS N N 36 124.070 124.070 120.359 3.711 26068 187 1 . 1 1 36 36 LYS HA H 36 4.000 4.000 4.079 -0.079 26068 188 1 . 1 1 36 36 LYS C C 36 178.720 178.720 178.535 0.185 26068 189 1 . 1 1 36 36 LYS CA C 36 59.100 59.100 59.166 -0.066 26068 190 1 . 1 1 36 36 LYS CB C 36 31.480 31.480 32.336 -0.856 26068 191 1 . 1 1 36 36 LYS H H 36 8.100 8.100 7.727 0.373 26068 192 1 . 1 1 37 37 VAL N N 37 120.470 120.470 118.587 1.883 26068 193 1 . 1 1 37 37 VAL HA H 37 3.420 3.420 3.810 -0.390 26068 194 1 . 1 1 37 37 VAL C C 37 176.250 176.250 177.389 -1.139 26068 195 1 . 1 1 37 37 VAL CA C 37 65.610 65.610 65.033 0.577 26068 196 1 . 1 1 37 37 VAL H H 37 8.560 8.560 7.590 0.970 26068 197 1 . 1 1 38 38 LEU N N 38 119.990 119.990 120.644 -0.654 26068 198 1 . 1 1 38 38 LEU C C 38 176.920 176.920 178.470 -1.550 26068 199 1 . 1 1 38 38 LEU CA C 38 57.720 57.720 57.671 0.049 26068 200 1 . 1 1 38 38 LEU CB C 38 41.040 41.040 41.010 0.030 26068 201 1 . 1 1 38 38 LEU H H 38 7.120 7.120 7.544 -0.424 26068 202 1 . 1 1 39 39 ALA N N 39 117.870 117.870 120.208 -2.338 26068 203 1 . 1 1 39 39 ALA HA H 39 3.780 3.780 3.945 -0.165 26068 204 1 . 1 1 39 39 ALA C C 39 177.770 177.770 178.893 -1.123 26068 205 1 . 1 1 39 39 ALA CA C 39 53.910 53.910 54.810 -0.900 26068 206 1 . 1 1 39 39 ALA CB C 39 17.370 17.370 18.127 -0.757 26068 207 1 . 1 1 39 39 ALA H H 39 7.540 7.540 7.929 -0.389 26068 208 1 . 1 1 40 40 LYS N N 40 117.340 117.340 118.125 -0.785 26068 209 1 . 1 1 40 40 LYS HA H 40 3.220 3.220 4.114 -0.894 26068 210 1 . 1 1 40 40 LYS C C 40 179.390 179.390 178.657 0.733 26068 211 1 . 1 1 40 40 LYS CA C 40 58.170 58.170 58.948 -0.778 26068 212 1 . 1 1 40 40 LYS CB C 40 29.750 29.750 32.764 -3.014 26068 213 1 . 1 1 40 40 LYS H H 40 7.760 7.760 7.587 0.173 26068 214 1 . 1 1 41 41 GLU N N 41 119.510 119.510 120.876 -1.366 26068 215 1 . 1 1 41 41 GLU HA H 41 3.900 3.900 4.154 -0.254 26068 216 1 . 1 1 41 41 GLU C C 41 179.390 179.390 179.055 0.335 26068 217 1 . 1 1 41 41 GLU CA C 41 57.850 57.850 58.815 -0.965 26068 218 1 . 1 1 41 41 GLU CB C 41 28.720 28.720 29.415 -0.695 26068 219 1 . 1 1 41 41 GLU H H 41 8.810 8.810 7.858 0.952 26068 220 1 . 1 1 42 42 LEU N N 42 120.430 120.430 118.856 1.574 26068 221 1 . 1 1 42 42 LEU HA H 42 3.670 3.670 4.225 -0.555 26068 222 1 . 1 1 42 42 LEU C C 42 176.370 176.370 178.888 -2.518 26068 223 1 . 1 1 42 42 LEU CA C 42 57.650 57.650 57.024 0.626 26068 224 1 . 1 1 42 42 LEU CB C 42 41.040 41.040 41.798 -0.758 26068 225 1 . 1 1 42 42 LEU H H 42 8.200 8.200 7.920 0.280 26068 226 1 . 1 1 43 43 ALA N N 43 117.000 117.000 120.147 -3.147 26068 227 1 . 1 1 43 43 ALA HA H 43 4.030 4.030 4.199 -0.169 26068 228 1 . 1 1 43 43 ALA C C 43 177.510 177.510 178.454 -0.944 26068 229 1 . 1 1 43 43 ALA CA C 43 53.130 53.130 54.127 -0.997 26068 230 1 . 1 1 43 43 ALA CB C 43 19.230 19.230 18.876 0.354 26068 231 1 . 1 1 43 43 ALA H H 43 7.850 7.850 7.817 0.033 26068 232 1 . 1 1 44 44 THR N N 44 107.520 107.520 108.463 -0.943 26068 233 1 . 1 1 44 44 THR HA H 44 4.370 4.370 4.320 0.050 26068 234 1 . 1 1 44 44 THR C C 44 174.160 174.160 174.855 -0.695 26068 235 1 . 1 1 44 44 THR CA C 44 61.030 61.030 62.074 -1.044 26068 236 1 . 1 1 44 44 THR CB C 44 69.200 69.200 69.373 -0.173 26068 237 1 . 1 1 44 44 THR H H 44 7.570 7.570 7.556 0.014 26068 238 1 . 1 1 45 45 THR N N 45 120.020 120.020 115.081 4.939 26068 239 1 . 1 1 45 45 THR HA H 45 4.170 4.170 4.016 0.154 26068 240 1 . 1 1 45 45 THR C C 45 175.160 175.160 173.741 1.419 26068 241 1 . 1 1 45 45 THR CA C 45 63.160 63.160 63.467 -0.307 26068 242 1 . 1 1 45 45 THR CB C 45 68.750 68.750 67.536 1.214 26068 243 1 . 1 1 45 45 THR H H 45 8.690 8.690 7.690 1.000 26068 244 1 . 1 1 46 46 GLY N N 46 108.110 108.110 108.645 -0.535 26068 245 1 . 1 1 46 46 GLY C C 46 171.890 171.890 172.533 -0.643 26068 246 1 . 1 1 46 46 GLY CA C 46 44.600 44.600 44.149 0.451 26068 247 1 . 1 1 46 46 GLY H H 46 8.300 8.300 7.957 0.343 26068 248 1 . 1 1 47 47 GLU N N 47 115.320 115.320 122.944 -7.624 26068 249 1 . 1 1 47 47 GLU HA H 47 5.330 5.330 4.606 0.724 26068 250 1 . 1 1 47 47 GLU C C 47 173.280 173.280 175.635 -2.355 26068 251 1 . 1 1 47 47 GLU CA C 47 54.060 54.060 55.815 -1.755 26068 252 1 . 1 1 47 47 GLU CB C 47 32.280 32.280 31.402 0.878 26068 253 1 . 1 1 47 47 GLU H H 47 7.210 7.210 8.506 -1.296 26068 254 1 . 1 1 48 48 VAL N N 48 118.460 118.460 125.983 -7.523 26068 255 1 . 1 1 48 48 VAL HA H 48 4.450 4.450 4.347 0.103 26068 256 1 . 1 1 48 48 VAL C C 48 171.500 171.500 174.739 -3.239 26068 257 1 . 1 1 48 48 VAL CA C 48 60.080 60.080 61.383 -1.303 26068 258 1 . 1 1 48 48 VAL CB C 48 32.510 32.510 33.512 -1.002 26068 259 1 . 1 1 48 48 VAL H H 48 8.810 8.810 8.508 0.302 26068 260 1 . 1 1 49 49 ARG N N 49 129.960 129.960 127.279 2.681 26068 261 1 . 1 1 49 49 ARG HA H 49 4.700 4.700 4.646 0.054 26068 262 1 . 1 1 49 49 ARG C C 49 173.520 173.520 175.682 -2.162 26068 263 1 . 1 1 49 49 ARG CA C 49 54.960 54.960 55.388 -0.428 26068 264 1 . 1 1 49 49 ARG CB C 49 29.170 29.170 31.130 -1.959 26068 265 1 . 1 1 49 49 ARG H H 49 9.510 9.510 8.646 0.864 26068 266 1 . 1 1 50 50 LEU N N 50 129.550 129.550 127.030 2.520 26068 267 1 . 1 1 50 50 LEU HA H 50 4.440 4.440 4.670 -0.230 26068 268 1 . 1 1 50 50 LEU C C 50 171.890 171.890 175.864 -3.974 26068 269 1 . 1 1 50 50 LEU CA C 50 51.100 51.100 53.635 -2.535 26068 270 1 . 1 1 50 50 LEU CB C 50 41.740 41.740 43.101 -1.361 26068 271 1 . 1 1 50 50 LEU H H 50 8.960 8.960 8.823 0.137 26068 272 1 . 1 1 51 51 PHE N N 51 122.720 122.720 125.684 -2.964 26068 273 1 . 1 1 51 51 PHE HA H 51 3.750 3.750 4.285 -0.535 26068 274 1 . 1 1 51 51 PHE C C 51 173.520 173.520 176.079 -2.559 26068 275 1 . 1 1 51 51 PHE CA C 51 59.750 59.750 59.669 0.081 26068 276 1 . 1 1 51 51 PHE CB C 51 36.610 36.610 39.246 -2.636 26068 277 1 . 1 1 51 51 PHE H H 51 7.960 7.960 8.685 -0.725 26068 278 1 . 1 1 52 52 ASP N N 52 122.670 122.670 123.859 -1.189 26068 279 1 . 1 1 52 52 ASP HA H 52 5.070 5.070 4.095 0.975 26068 280 1 . 1 1 52 52 ASP C C 52 175.160 175.160 175.142 0.018 26068 281 1 . 1 1 52 52 ASP CA C 52 53.380 53.380 55.175 -1.795 26068 282 1 . 1 1 52 52 ASP CB C 52 39.950 39.950 39.326 0.624 26068 283 1 . 1 1 52 52 ASP H H 52 8.690 8.690 8.323 0.367 26068 284 1 . 1 1 53 53 ILE N N 53 121.190 121.190 118.054 3.136 26068 285 1 . 1 1 53 53 ILE HA H 53 3.980 3.980 4.126 -0.146 26068 286 1 . 1 1 53 53 ILE C C 53 174.950 174.950 175.491 -0.541 26068 287 1 . 1 1 53 53 ILE CA C 53 63.530 63.530 62.554 0.976 26068 288 1 . 1 1 53 53 ILE CB C 53 37.000 37.000 39.636 -2.636 26068 289 1 . 1 1 53 53 ILE H H 53 8.710 8.710 7.795 0.915 26068 290 1 . 1 1 54 54 GLY N N 54 101.400 101.400 106.222 -4.822 26068 291 1 . 1 1 54 54 GLY C C 54 169.840 169.840 171.750 -1.910 26068 292 1 . 1 1 54 54 GLY CA C 54 43.740 43.740 44.806 -1.066 26068 293 1 . 1 1 54 54 GLY H H 54 6.690 6.690 7.979 -1.289 26068 294 1 . 1 1 55 55 LYS N N 55 119.440 119.440 119.398 0.042 26068 295 1 . 1 1 55 55 LYS HA H 55 4.930 4.930 5.202 -0.272 26068 296 1 . 1 1 55 55 LYS C C 55 174.340 174.340 174.812 -0.472 26068 297 1 . 1 1 55 55 LYS CA C 55 54.190 54.190 54.519 -0.329 26068 298 1 . 1 1 55 55 LYS CB C 55 33.660 33.660 36.227 -2.567 26068 299 1 . 1 1 55 55 LYS H H 55 8.110 8.110 8.220 -0.110 26068 300 1 . 1 1 56 56 PHE N N 56 128.540 128.540 121.737 6.803 26068 301 1 . 1 1 56 56 PHE HA H 56 5.170 5.170 4.970 0.200 26068 302 1 . 1 1 56 56 PHE C C 56 174.040 174.040 175.284 -1.244 26068 303 1 . 1 1 56 56 PHE CA C 56 56.140 56.140 57.808 -1.668 26068 304 1 . 1 1 56 56 PHE CB C 56 41.100 41.100 39.829 1.271 26068 305 1 . 1 1 56 56 PHE H H 56 9.420 9.420 8.811 0.609 26068 306 1 . 1 1 57 57 LYS N N 57 120.820 120.820 123.451 -2.631 26068 307 1 . 1 1 57 57 LYS HA H 57 5.030 5.030 4.758 0.272 26068 308 1 . 1 1 57 57 LYS C C 57 173.280 173.280 174.741 -1.461 26068 309 1 . 1 1 57 57 LYS CA C 57 54.190 54.190 54.906 -0.716 26068 310 1 . 1 1 57 57 LYS CB C 57 36.420 36.420 35.414 1.006 26068 311 1 . 1 1 57 57 LYS H H 57 9.060 9.060 8.985 0.075 26068 312 1 . 1 1 58 58 LEU N N 58 125.690 125.690 124.822 0.868 26068 313 1 . 1 1 58 58 LEU HA H 58 4.950 4.950 4.905 0.045 26068 314 1 . 1 1 58 58 LEU C C 58 175.180 175.180 176.963 -1.783 26068 315 1 . 1 1 58 58 LEU CA C 58 52.890 52.890 54.126 -1.236 26068 316 1 . 1 1 58 58 LEU CB C 58 42.320 42.320 42.604 -0.284 26068 317 1 . 1 1 58 58 LEU H H 58 8.420 8.420 8.547 -0.127 26068 318 1 . 1 1 59 59 VAL N N 59 125.770 125.770 122.659 3.111 26068 319 1 . 1 1 59 59 VAL HA H 59 4.540 4.540 4.562 -0.022 26068 320 1 . 1 1 59 59 VAL C C 59 174.690 174.690 174.683 0.007 26068 321 1 . 1 1 59 59 VAL CA C 59 59.780 59.780 60.823 -1.043 26068 322 1 . 1 1 59 59 VAL CB C 59 32.950 32.950 34.042 -1.092 26068 323 1 . 1 1 59 59 VAL H H 59 9.260 9.260 8.781 0.479 26068 324 1 . 1 1 60 60 THR N N 60 119.180 119.180 118.368 0.812 26068 325 1 . 1 1 60 60 THR C C 60 174.250 174.250 173.885 0.365 26068 326 1 . 1 1 60 60 THR CA C 60 60.740 60.740 60.482 0.258 26068 327 1 . 1 1 60 60 THR CB C 60 65.260 65.260 70.210 -4.950 26068 328 1 . 1 1 60 60 THR H H 60 8.480 8.480 8.323 0.157 26068 329 1 . 1 1 61 61 THR N N 61 117.840 117.840 118.747 -0.907 26068 330 1 . 1 1 61 61 THR C C 61 173.550 173.550 174.188 -0.638 26068 331 1 . 1 1 61 61 THR CA C 61 59.290 59.290 60.933 -1.643 26068 332 1 . 1 1 61 61 THR H H 61 8.610 8.610 8.616 -0.006 26068 333 1 . 1 1 62 62 LYS N N 62 122.610 122.610 124.830 -2.220 26068 334 1 . 1 1 62 62 LYS HA H 62 4.480 4.480 4.412 0.068 26068 335 1 . 1 1 62 62 LYS CA C 62 53.750 53.750 55.122 -1.372 26068 336 1 . 1 1 62 62 LYS H H 62 8.380 8.380 8.475 -0.095 26068 337 1 . 1 1 63 63 PRO C C 63 176.780 176.780 176.407 0.373 26068 338 1 . 1 1 64 64 ARG N N 64 116.830 116.830 118.937 -2.107 26068 339 1 . 1 1 64 64 ARG C C 64 177.070 177.070 174.677 2.393 26068 340 1 . 1 1 64 64 ARG CA C 64 57.230 57.230 55.219 2.011 26068 341 1 . 1 1 64 64 ARG H H 64 8.130 8.130 8.607 -0.477 26068 342 1 . 1 1 65 65 THR N N 65 127.240 127.240 115.052 12.188 26068 343 1 . 1 1 65 65 THR C C 65 173.780 173.780 173.588 0.192 26068 344 1 . 1 1 65 65 THR CA C 65 60.680 60.680 60.527 0.153 26068 345 1 . 1 1 65 65 THR H H 65 7.370 7.370 8.332 -0.962 26068 346 1 . 1 1 66 66 GLY N N 66 112.840 112.840 112.463 0.377 26068 347 1 . 1 1 66 66 GLY C C 66 171.630 171.630 172.188 -0.558 26068 348 1 . 1 1 66 66 GLY CA C 66 43.610 43.610 44.112 -0.502 26068 349 1 . 1 1 66 66 GLY H H 66 8.760 8.760 8.463 0.297 26068 350 1 . 1 1 67 67 ILE N N 67 119.560 119.560 117.054 2.506 26068 351 1 . 1 1 67 67 ILE C C 67 175.110 175.110 174.679 0.431 26068 352 1 . 1 1 67 67 ILE CA C 67 58.220 58.220 59.124 -0.904 26068 353 1 . 1 1 67 67 ILE H H 67 8.310 8.310 8.212 0.098 26068 354 1 . 1 1 68 68 ASN N N 68 127.190 127.190 123.431 3.759 26068 355 1 . 1 1 68 68 ASN CA C 68 49.840 49.840 51.657 -1.817 26068 356 1 . 1 1 68 68 ASN H H 68 8.750 8.750 8.459 0.291 26068 357 1 . 1 1 70 70 LYS N N 70 128.540 128.540 118.109 10.431 26068 358 1 . 1 1 70 70 LYS HA H 70 4.530 4.530 4.419 0.111 26068 359 1 . 1 1 70 70 LYS CA C 70 57.270 57.270 56.800 0.470 26068 360 1 . 1 1 70 70 LYS H H 70 8.870 8.870 8.555 0.315 26068 361 1 . 1 1 71 71 THR C C 71 174.770 174.770 173.726 1.044 26068 362 1 . 1 1 71 71 THR CA C 71 60.650 60.650 60.414 0.236 26068 363 1 . 1 1 72 72 LYS N N 72 116.540 116.540 121.916 -5.376 26068 364 1 . 1 1 72 72 LYS C C 72 174.500 174.500 176.082 -1.582 26068 365 1 . 1 1 72 72 LYS CA C 72 56.710 56.710 56.609 0.101 26068 366 1 . 1 1 72 72 LYS H H 72 8.450 8.450 8.547 -0.097 26068 367 1 . 1 1 73 73 GLN N N 73 117.620 117.620 120.242 -2.622 26068 368 1 . 1 1 73 73 GLN HA H 73 4.200 4.200 4.451 -0.251 26068 369 1 . 1 1 73 73 GLN C C 73 174.700 174.700 174.663 0.037 26068 370 1 . 1 1 73 73 GLN CA C 73 54.250 54.250 55.013 -0.763 26068 371 1 . 1 1 73 73 GLN H H 73 7.600 7.600 7.841 -0.241 26068 372 1 . 1 1 74 74 LYS N N 74 122.530 122.530 122.774 -0.244 26068 373 1 . 1 1 74 74 LYS C C 74 175.840 175.840 176.014 -0.174 26068 374 1 . 1 1 74 74 LYS CA C 74 55.900 55.900 55.887 0.013 26068 375 1 . 1 1 74 74 LYS H H 74 8.500 8.500 8.440 0.060 26068 376 1 . 1 1 75 75 ILE N N 75 121.120 121.120 124.774 -3.654 26068 377 1 . 1 1 75 75 ILE HA H 75 4.440 4.440 4.289 0.151 26068 378 1 . 1 1 75 75 ILE C C 75 174.000 174.000 175.031 -1.031 26068 379 1 . 1 1 75 75 ILE CA C 75 58.750 58.750 60.288 -1.538 26068 380 1 . 1 1 75 75 ILE H H 75 8.480 8.480 8.707 -0.227 26068 381 1 . 1 1 76 76 GLN N N 76 123.280 123.280 125.684 -2.404 26068 382 1 . 1 1 76 76 GLN C C 76 174.000 174.000 175.140 -1.140 26068 383 1 . 1 1 76 76 GLN CA C 76 54.220 54.220 54.720 -0.500 26068 384 1 . 1 1 76 76 GLN H H 76 8.510 8.510 8.571 -0.061 26068 385 1 . 1 1 77 77 ILE N N 77 115.590 115.590 126.324 -10.734 26068 386 1 . 1 1 77 77 ILE CA C 77 60.710 60.710 58.664 2.046 26068 387 1 . 1 1 77 77 ILE H H 77 8.420 8.420 8.500 -0.080 26068 388 1 . 1 1 78 78 PRO C C 78 176.070 176.070 176.036 0.034 26068 389 1 . 1 1 79 79 ALA N N 79 123.150 123.150 121.774 1.376 26068 390 1 . 1 1 79 79 ALA HA H 79 3.990 3.990 4.486 -0.496 26068 391 1 . 1 1 79 79 ALA C C 79 176.740 176.740 177.543 -0.803 26068 392 1 . 1 1 79 79 ALA CA C 79 51.670 51.670 51.710 -0.040 26068 393 1 . 1 1 79 79 ALA CB C 79 18.710 18.710 19.929 -1.219 26068 394 1 . 1 1 79 79 ALA H H 79 8.490 8.490 8.262 0.228 26068 395 1 . 1 1 80 80 GLY N N 80 109.540 109.540 109.070 0.470 26068 396 1 . 1 1 80 80 GLY C C 80 172.350 172.350 172.316 0.034 26068 397 1 . 1 1 80 80 GLY CA C 80 43.650 43.650 44.528 -0.878 26068 398 1 . 1 1 80 80 GLY H H 80 7.960 7.960 8.400 -0.440 26068 399 1 . 1 1 81 81 LYS N N 81 120.310 120.310 120.214 0.096 26068 400 1 . 1 1 81 81 LYS C C 81 174.920 174.920 175.370 -0.450 26068 401 1 . 1 1 81 81 LYS CA C 81 54.330 54.330 55.099 -0.769 26068 402 1 . 1 1 81 81 LYS H H 81 8.330 8.330 8.290 0.040 26068 403 1 . 1 1 82 82 LYS N N 82 121.710 121.710 121.429 0.281 26068 404 1 . 1 1 82 82 LYS HA H 82 4.670 4.670 4.728 -0.058 26068 405 1 . 1 1 82 82 LYS C C 82 173.360 173.360 174.683 -1.323 26068 406 1 . 1 1 82 82 LYS CA C 82 53.910 53.910 55.052 -1.142 26068 407 1 . 1 1 82 82 LYS CB C 82 35.200 35.200 36.099 -0.899 26068 408 1 . 1 1 82 82 LYS H H 82 8.970 8.970 8.775 0.195 26068 409 1 . 1 1 83 83 ILE N N 83 123.310 123.310 120.671 2.639 26068 410 1 . 1 1 83 83 ILE HA H 83 4.700 4.700 4.822 -0.122 26068 411 1 . 1 1 83 83 ILE C C 83 173.820 173.820 175.650 -1.830 26068 412 1 . 1 1 83 83 ILE CA C 83 60.200 60.200 60.211 -0.011 26068 413 1 . 1 1 83 83 ILE CB C 83 37.960 37.960 39.955 -1.995 26068 414 1 . 1 1 83 83 ILE H H 83 8.470 8.470 8.473 -0.003 26068 415 1 . 1 1 84 84 LYS N N 84 127.190 127.190 125.391 1.799 26068 416 1 . 1 1 84 84 LYS HA H 84 4.700 4.700 4.677 0.023 26068 417 1 . 1 1 84 84 LYS C C 84 173.770 173.770 174.309 -0.539 26068 418 1 . 1 1 84 84 LYS CA C 84 53.260 53.260 54.859 -1.599 26068 419 1 . 1 1 84 84 LYS CB C 84 35.070 35.070 36.096 -1.026 26068 420 1 . 1 1 84 84 LYS H H 84 9.160 9.160 8.932 0.228 26068 421 1 . 1 1 85 85 LEU N N 85 125.120 125.120 126.261 -1.141 26068 422 1 . 1 1 85 85 LEU HA H 85 4.690 4.690 4.512 0.178 26068 423 1 . 1 1 85 85 LEU C C 85 175.520 175.520 176.200 -0.680 26068 424 1 . 1 1 85 85 LEU CA C 85 52.080 52.080 54.492 -2.412 26068 425 1 . 1 1 85 85 LEU CB C 85 43.670 43.670 43.214 0.456 26068 426 1 . 1 1 85 85 LEU H H 85 8.620 8.620 8.561 0.059 26068 427 1 . 1 1 86 86 THR N N 86 124.610 124.610 120.041 4.569 26068 428 1 . 1 1 86 86 THR HA H 86 4.550 4.550 4.567 -0.017 26068 429 1 . 1 1 86 86 THR C C 86 174.770 174.770 173.435 1.335 26068 430 1 . 1 1 86 86 THR CA C 86 60.440 60.440 60.743 -0.303 26068 431 1 . 1 1 86 86 THR CB C 86 68.040 68.040 69.916 -1.876 26068 432 1 . 1 1 86 86 THR H H 86 8.770 8.770 8.712 0.058 26068 433 1 . 1 1 87 87 VAL C C 87 174.810 174.810 175.636 -0.826 26068 434 1 . 1 1 87 87 VAL CA C 87 63.170 63.170 60.898 2.272 26068 435 1 . 1 1 88 88 SER N N 88 122.640 122.640 119.401 3.239 26068 436 1 . 1 1 88 88 SER HA H 88 4.470 4.470 4.608 -0.138 26068 437 1 . 1 1 88 88 SER CA C 88 56.790 56.790 57.275 -0.485 26068 438 1 . 1 1 88 88 SER H H 88 8.330 8.330 8.570 -0.240 26068 439 1 . 1 1 89 89 LYS C C 89 176.560 176.560 178.015 -1.455 26068 440 1 . 1 1 90 90 ILE N N 90 117.640 117.640 119.454 -1.814 26068 441 1 . 1 1 90 90 ILE HA H 90 3.700 3.700 3.906 -0.206 26068 442 1 . 1 1 90 90 ILE C C 90 178.250 178.250 176.302 1.948 26068 443 1 . 1 1 90 90 ILE CA C 90 63.200 63.200 63.059 0.141 26068 444 1 . 1 1 90 90 ILE CB C 90 36.230 36.230 38.069 -1.839 26068 445 1 . 1 1 90 90 ILE H H 90 7.930 7.930 7.758 0.172 26068 446 1 . 1 1 91 91 LEU N N 91 121.350 121.350 115.134 6.216 26068 447 1 . 1 1 91 91 LEU HA H 91 4.210 4.210 4.712 -0.502 26068 448 1 . 1 1 91 91 LEU C C 91 177.410 177.410 176.005 1.405 26068 449 1 . 1 1 91 91 LEU CA C 91 56.750 56.750 55.112 1.638 26068 450 1 . 1 1 91 91 LEU CB C 91 39.561 39.561 43.146 -3.585 26068 451 1 . 1 1 91 91 LEU H H 91 7.380 7.380 7.713 -0.333 26068 452 1 . 1 1 92 92 THR N N 92 113.940 113.940 114.731 -0.791 26068 453 1 . 1 1 92 92 THR HA H 92 3.670 3.670 4.684 -1.014 26068 454 1 . 1 1 92 92 THR C C 92 176.170 176.170 173.568 2.602 26068 455 1 . 1 1 92 92 THR CA C 92 66.150 66.150 62.691 3.459 26068 456 1 . 1 1 92 92 THR CB C 92 66.950 66.950 69.454 -2.505 26068 457 1 . 1 1 92 92 THR H H 92 7.780 7.780 7.806 -0.026 26068 458 1 . 1 1 93 93 ASP N N 93 121.580 121.580 122.470 -0.890 26068 459 1 . 1 1 93 93 ASP HA H 93 4.360 4.360 4.768 -0.408 26068 460 1 . 1 1 93 93 ASP C C 93 178.020 178.020 175.395 2.625 26068 461 1 . 1 1 93 93 ASP CA C 93 56.140 56.140 53.896 2.244 26068 462 1 . 1 1 93 93 ASP CB C 93 38.730 38.730 41.811 -3.081 26068 463 1 . 1 1 93 93 ASP H H 93 8.790 8.790 7.824 0.966 26068 464 1 . 1 1 94 94 ALA N N 94 124.610 124.610 126.604 -1.994 26068 465 1 . 1 1 94 94 ALA HA H 94 4.130 4.130 3.926 0.204 26068 466 1 . 1 1 94 94 ALA C C 94 180.080 180.080 175.796 4.284 26068 467 1 . 1 1 94 94 ALA CA C 94 54.120 54.120 53.396 0.724 26068 468 1 . 1 1 94 94 ALA CB C 94 17.110 17.110 18.128 -1.018 26068 469 1 . 1 1 94 94 ALA H H 94 8.050 8.050 8.448 -0.398 26068 470 1 . 1 1 95 95 VAL N N 95 119.040 119.040 116.214 2.826 26068 471 1 . 1 1 95 95 VAL HA H 95 3.650 3.650 4.345 -0.695 26068 472 1 . 1 1 95 95 VAL C C 95 177.260 177.260 175.037 2.223 26068 473 1 . 1 1 95 95 VAL CA C 95 65.350 65.350 60.982 4.368 26068 474 1 . 1 1 95 95 VAL CB C 95 30.640 30.640 33.839 -3.199 26068 475 1 . 1 1 95 95 VAL H H 95 8.110 8.110 7.428 0.682 26068 476 1 . 1 1 96 96 ASP N N 96 119.550 119.550 123.755 -4.205 26068 477 1 . 1 1 96 96 ASP HA H 96 4.460 4.460 4.329 0.131 26068 478 1 . 1 1 96 96 ASP C C 96 176.710 176.710 176.695 0.015 26068 479 1 . 1 1 96 96 ASP CA C 96 55.790 55.790 56.963 -1.173 26068 480 1 . 1 1 96 96 ASP CB C 96 40.140 40.140 39.980 0.160 26068 481 1 . 1 1 96 96 ASP H H 96 7.970 7.970 8.722 -0.752 26068 482 1 . 1 1 97 97 SER N N 97 112.600 112.600 116.910 -4.310 26068 483 1 . 1 1 97 97 SER HA H 97 4.420 4.420 4.404 0.016 26068 484 1 . 1 1 97 97 SER CA C 97 58.290 58.290 59.791 -1.501 26068 485 1 . 1 1 97 97 SER CB C 97 62.720 62.720 64.709 -1.989 26068 486 1 . 1 1 97 97 SER H H 97 7.870 7.870 8.282 -0.412 26068 487 1 . 1 1 98 98 HIS N N 98 122.580 122.580 120.703 1.877 26068 488 1 . 1 1 98 98 HIS HA H 98 4.090 4.090 4.760 -0.670 26068 489 1 . 1 1 98 98 HIS C C 98 173.400 173.400 172.871 0.529 26068 490 1 . 1 1 98 98 HIS CA C 98 57.400 57.400 55.892 1.508 26068 491 1 . 1 1 98 98 HIS CB C 98 29.810 29.810 30.766 -0.956 26068 492 1 . 1 1 98 98 HIS H H 98 7.340 7.340 7.643 -0.303 26068 stop_ save_