data_19822 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19822 _Entry.PDB_ID 2MLI 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 19822 _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 ILE HA H 2 3.820 3.820 3.454 0.366 19822 2 1 1 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.379 0.051 19822 3 1 1 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.770 -0.000 19822 4 1 1 . 1 1 2 2 ILE H H 2 7.080 7.080 8.104 -1.024 19822 5 1 1 . 1 1 3 3 VAL N N 3 122.980 122.980 118.535 4.445 19822 6 1 1 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.587 -0.047 19822 7 1 1 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.774 0.646 19822 8 1 1 . 1 1 3 3 VAL H H 3 8.190 8.190 7.824 0.366 19822 9 1 1 . 1 1 4 4 GLU N N 4 121.710 121.710 120.837 0.873 19822 10 1 1 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.910 0.130 19822 11 1 1 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.319 -0.319 19822 12 1 1 . 1 1 4 4 GLU H H 4 8.350 8.350 7.862 0.487 19822 13 1 1 . 1 1 5 5 GLN N N 5 110.870 110.870 118.069 -7.199 19822 14 1 1 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.106 -0.116 19822 15 1 1 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.713 -0.373 19822 16 1 1 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.663 0.797 19822 17 1 1 . 1 1 5 5 GLN H H 5 8.260 8.260 7.888 0.372 19822 18 1 1 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.075 12.325 19822 19 1 1 . 1 1 7 7 CYS N N 7 118.590 118.590 120.159 -1.569 19822 20 1 1 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.340 0.500 19822 21 1 1 . 1 1 7 7 CYS CA C 7 56.970 56.970 61.699 -4.729 19822 22 1 1 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.076 11.734 19822 23 1 1 . 1 1 7 7 CYS H H 7 8.160 8.160 8.928 -0.768 19822 24 1 1 . 1 1 8 8 THR HA H 8 3.980 3.980 4.135 -0.155 19822 25 1 1 . 1 1 8 8 THR CA C 8 64.480 64.480 64.834 -0.354 19822 26 1 1 . 1 1 8 8 THR CB C 8 68.600 68.600 69.247 -0.647 19822 27 1 1 . 1 1 8 8 THR H H 8 8.230 8.230 7.898 0.332 19822 28 1 1 . 1 1 9 9 SER HA H 9 4.706 4.706 4.704 0.002 19822 29 1 1 . 1 1 9 9 SER CA C 9 56.480 56.480 56.951 -0.471 19822 30 1 1 . 1 1 9 9 SER CB C 9 64.590 64.590 66.281 -1.692 19822 31 1 1 . 1 1 9 9 SER H H 9 7.320 7.320 7.762 -0.442 19822 32 1 1 . 1 1 10 10 ILE N N 10 117.550 117.550 121.241 -3.691 19822 33 1 1 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.019 0.231 19822 34 1 1 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.159 -0.979 19822 35 1 1 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.219 0.681 19822 36 1 1 . 1 1 10 10 ILE H H 10 7.810 7.810 8.261 -0.451 19822 37 1 1 . 1 1 11 11 CYS H H 11 9.920 9.920 8.796 1.124 19822 38 1 1 . 1 1 12 12 SER HA H 12 4.560 4.560 4.742 -0.182 19822 39 1 1 . 1 1 12 12 SER CA C 12 56.610 56.610 57.068 -0.458 19822 40 1 1 . 1 1 12 12 SER CB C 12 65.750 65.750 65.897 -0.147 19822 41 1 1 . 1 1 13 13 LEU N N 13 121.930 121.930 125.106 -3.176 19822 42 1 1 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.876 -0.086 19822 43 1 1 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.698 0.782 19822 44 1 1 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.590 0.580 19822 45 1 1 . 1 1 13 13 LEU H H 13 8.650 8.650 8.456 0.194 19822 46 1 1 . 1 1 14 14 TYR N N 14 115.930 115.930 115.923 0.007 19822 47 1 1 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.100 0.150 19822 48 1 1 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.128 -1.088 19822 49 1 1 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.577 1.153 19822 50 1 1 . 1 1 14 14 TYR H H 14 7.600 7.600 7.172 0.428 19822 51 1 1 . 1 1 15 15 GLN N N 15 118.260 118.260 116.997 1.263 19822 52 1 1 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.983 -0.113 19822 53 1 1 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.638 -0.168 19822 54 1 1 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.132 1.148 19822 55 1 1 . 1 1 15 15 GLN H H 15 7.430 7.430 7.834 -0.404 19822 56 1 1 . 1 1 16 16 LEU N N 16 119.850 119.850 119.681 0.169 19822 57 1 1 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822 58 1 1 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.658 0.292 19822 59 1 1 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.937 0.043 19822 60 1 1 . 1 1 16 16 LEU H H 16 7.870 7.870 8.065 -0.195 19822 61 1 1 . 1 1 17 17 GLU N N 17 116.160 116.160 120.985 -4.825 19822 62 1 1 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.006 0.104 19822 63 1 1 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.186 -0.986 19822 64 1 1 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.227 0.083 19822 65 1 1 . 1 1 17 17 GLU H H 17 8.050 8.050 8.751 -0.701 19822 66 1 1 . 1 1 18 18 ASN N N 18 116.120 116.120 118.431 -2.311 19822 67 1 1 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.312 0.098 19822 68 1 1 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.711 -0.951 19822 69 1 1 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.020 0.550 19822 70 1 1 . 1 1 18 18 ASN H H 18 7.250 7.250 8.213 -0.963 19822 71 1 1 . 1 1 19 19 TYR N N 19 117.010 117.010 115.839 1.171 19822 72 1 1 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.592 -0.262 19822 73 1 1 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.987 2.073 19822 74 1 1 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.898 0.712 19822 75 1 1 . 1 1 19 19 TYR H H 19 7.950 7.950 7.179 0.771 19822 76 1 1 . 1 1 20 20 CYS N N 20 116.970 116.970 121.273 -4.303 19822 77 1 1 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.381 0.679 19822 78 1 1 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.052 -5.812 19822 79 1 1 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.625 10.865 19822 80 1 1 . 1 1 20 20 CYS H H 20 7.400 7.400 8.343 -0.943 19822 81 1 2 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.619 0.201 19822 82 1 2 . 1 1 2 2 ILE CA C 2 63.430 63.430 62.610 0.820 19822 83 1 2 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.560 0.209 19822 84 1 2 . 1 1 2 2 ILE H H 2 7.080 7.080 7.823 -0.743 19822 85 1 2 . 1 1 3 3 VAL N N 3 122.980 122.980 119.265 3.715 19822 86 1 2 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.517 0.023 19822 87 1 2 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.210 0.210 19822 88 1 2 . 1 1 3 3 VAL H H 3 8.190 8.190 7.789 0.401 19822 89 1 2 . 1 1 4 4 GLU N N 4 121.710 121.710 120.048 1.662 19822 90 1 2 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.886 0.154 19822 91 1 2 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.414 -0.414 19822 92 1 2 . 1 1 4 4 GLU H H 4 8.350 8.350 8.204 0.146 19822 93 1 2 . 1 1 5 5 GLN N N 5 110.870 110.870 117.991 -7.121 19822 94 1 2 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.112 -0.122 19822 95 1 2 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.751 -0.411 19822 96 1 2 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.718 0.741 19822 97 1 2 . 1 1 5 5 GLN H H 5 8.260 8.260 7.894 0.366 19822 98 1 2 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.059 12.341 19822 99 1 2 . 1 1 7 7 CYS N N 7 118.590 118.590 119.958 -1.368 19822 100 1 2 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.431 0.409 19822 101 1 2 . 1 1 7 7 CYS CA C 7 56.970 56.970 61.699 -4.729 19822 102 1 2 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.160 11.650 19822 103 1 2 . 1 1 7 7 CYS H H 7 8.160 8.160 8.841 -0.681 19822 104 1 2 . 1 1 8 8 THR HA H 8 3.980 3.980 4.258 -0.278 19822 105 1 2 . 1 1 8 8 THR CA C 8 64.480 64.480 64.620 -0.140 19822 106 1 2 . 1 1 8 8 THR CB C 8 68.600 68.600 69.221 -0.621 19822 107 1 2 . 1 1 8 8 THR H H 8 8.230 8.230 7.981 0.249 19822 108 1 2 . 1 1 9 9 SER HA H 9 4.706 4.706 4.728 -0.022 19822 109 1 2 . 1 1 9 9 SER CA C 9 56.480 56.480 56.796 -0.316 19822 110 1 2 . 1 1 9 9 SER CB C 9 64.590 64.590 66.249 -1.659 19822 111 1 2 . 1 1 9 9 SER H H 9 7.320 7.320 7.753 -0.433 19822 112 1 2 . 1 1 10 10 ILE N N 10 117.550 117.550 121.203 -3.653 19822 113 1 2 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.006 0.244 19822 114 1 2 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.216 -1.036 19822 115 1 2 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.165 0.735 19822 116 1 2 . 1 1 10 10 ILE H H 10 7.810 7.810 8.296 -0.486 19822 117 1 2 . 1 1 11 11 CYS H H 11 9.920 9.920 8.803 1.117 19822 118 1 2 . 1 1 12 12 SER HA H 12 4.560 4.560 4.736 -0.176 19822 119 1 2 . 1 1 12 12 SER CA C 12 56.610 56.610 56.803 -0.193 19822 120 1 2 . 1 1 12 12 SER CB C 12 65.750 65.750 65.731 0.019 19822 121 1 2 . 1 1 13 13 LEU N N 13 121.930 121.930 124.809 -2.879 19822 122 1 2 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.857 -0.067 19822 123 1 2 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.711 0.769 19822 124 1 2 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.752 0.417 19822 125 1 2 . 1 1 13 13 LEU H H 13 8.650 8.650 8.460 0.190 19822 126 1 2 . 1 1 14 14 TYR N N 14 115.930 115.930 115.565 0.365 19822 127 1 2 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.050 0.200 19822 128 1 2 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.376 -1.336 19822 129 1 2 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.675 1.055 19822 130 1 2 . 1 1 14 14 TYR H H 14 7.600 7.600 7.237 0.363 19822 131 1 2 . 1 1 15 15 GLN N N 15 118.260 118.260 117.123 1.137 19822 132 1 2 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.980 -0.110 19822 133 1 2 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.588 -0.118 19822 134 1 2 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.210 1.070 19822 135 1 2 . 1 1 15 15 GLN H H 15 7.430 7.430 7.799 -0.369 19822 136 1 2 . 1 1 16 16 LEU N N 16 119.850 119.850 119.698 0.152 19822 137 1 2 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822 138 1 2 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.666 0.284 19822 139 1 2 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.949 0.031 19822 140 1 2 . 1 1 16 16 LEU H H 16 7.870 7.870 8.056 -0.186 19822 141 1 2 . 1 1 17 17 GLU N N 17 116.160 116.160 121.002 -4.842 19822 142 1 2 . 1 1 17 17 GLU HA H 17 4.110 4.110 3.998 0.112 19822 143 1 2 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.203 -1.003 19822 144 1 2 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.217 0.093 19822 145 1 2 . 1 1 17 17 GLU H H 17 8.050 8.050 8.767 -0.717 19822 146 1 2 . 1 1 18 18 ASN N N 18 116.120 116.120 118.434 -2.314 19822 147 1 2 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822 148 1 2 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.698 -0.938 19822 149 1 2 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.005 0.565 19822 150 1 2 . 1 1 18 18 ASN H H 18 7.250 7.250 8.205 -0.955 19822 151 1 2 . 1 1 19 19 TYR N N 19 117.010 117.010 115.822 1.188 19822 152 1 2 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.595 -0.265 19822 153 1 2 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.984 2.076 19822 154 1 2 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.897 0.713 19822 155 1 2 . 1 1 19 19 TYR H H 19 7.950 7.950 7.182 0.768 19822 156 1 2 . 1 1 20 20 CYS N N 20 116.970 116.970 121.430 -4.460 19822 157 1 2 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.380 0.680 19822 158 1 2 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.068 -5.828 19822 159 1 2 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.640 10.850 19822 160 1 2 . 1 1 20 20 CYS H H 20 7.400 7.400 8.355 -0.955 19822 161 1 3 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.479 0.341 19822 162 1 3 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.031 0.399 19822 163 1 3 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.803 -0.033 19822 164 1 3 . 1 1 2 2 ILE H H 2 7.080 7.080 8.164 -1.084 19822 165 1 3 . 1 1 3 3 VAL N N 3 122.980 122.980 118.549 4.431 19822 166 1 3 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.476 0.064 19822 167 1 3 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.300 0.120 19822 168 1 3 . 1 1 3 3 VAL H H 3 8.190 8.190 7.839 0.351 19822 169 1 3 . 1 1 4 4 GLU N N 4 121.710 121.710 120.380 1.330 19822 170 1 3 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.883 0.157 19822 171 1 3 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.335 -0.335 19822 172 1 3 . 1 1 4 4 GLU H H 4 8.350 8.350 7.860 0.490 19822 173 1 3 . 1 1 5 5 GLN N N 5 110.870 110.870 118.010 -7.140 19822 174 1 3 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.111 -0.121 19822 175 1 3 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.718 -0.378 19822 176 1 3 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.689 0.771 19822 177 1 3 . 1 1 5 5 GLN H H 5 8.260 8.260 7.857 0.403 19822 178 1 3 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.068 12.332 19822 179 1 3 . 1 1 7 7 CYS N N 7 118.590 118.590 120.000 -1.410 19822 180 1 3 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.430 0.410 19822 181 1 3 . 1 1 7 7 CYS CA C 7 56.970 56.970 61.705 -4.735 19822 182 1 3 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.130 11.680 19822 183 1 3 . 1 1 7 7 CYS H H 7 8.160 8.160 8.835 -0.675 19822 184 1 3 . 1 1 8 8 THR HA H 8 3.980 3.980 4.256 -0.276 19822 185 1 3 . 1 1 8 8 THR CA C 8 64.480 64.480 64.711 -0.231 19822 186 1 3 . 1 1 8 8 THR CB C 8 68.600 68.600 69.250 -0.650 19822 187 1 3 . 1 1 8 8 THR H H 8 8.230 8.230 7.900 0.330 19822 188 1 3 . 1 1 9 9 SER HA H 9 4.706 4.706 4.731 -0.025 19822 189 1 3 . 1 1 9 9 SER CA C 9 56.480 56.480 56.739 -0.259 19822 190 1 3 . 1 1 9 9 SER CB C 9 64.590 64.590 66.234 -1.644 19822 191 1 3 . 1 1 9 9 SER H H 9 7.320 7.320 7.770 -0.450 19822 192 1 3 . 1 1 10 10 ILE N N 10 117.550 117.550 121.250 -3.700 19822 193 1 3 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.005 0.245 19822 194 1 3 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.188 -1.008 19822 195 1 3 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.231 0.669 19822 196 1 3 . 1 1 10 10 ILE H H 10 7.810 7.810 8.290 -0.480 19822 197 1 3 . 1 1 11 11 CYS H H 11 9.920 9.920 8.748 1.172 19822 198 1 3 . 1 1 12 12 SER HA H 12 4.560 4.560 4.724 -0.164 19822 199 1 3 . 1 1 12 12 SER CA C 12 56.610 56.610 57.026 -0.416 19822 200 1 3 . 1 1 12 12 SER CB C 12 65.750 65.750 65.931 -0.181 19822 201 1 3 . 1 1 13 13 LEU N N 13 121.930 121.930 124.008 -2.078 19822 202 1 3 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.822 -0.032 19822 203 1 3 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.954 0.526 19822 204 1 3 . 1 1 13 13 LEU CB C 13 41.170 41.170 41.163 0.007 19822 205 1 3 . 1 1 13 13 LEU H H 13 8.650 8.650 8.538 0.112 19822 206 1 3 . 1 1 14 14 TYR N N 14 115.930 115.930 115.838 0.092 19822 207 1 3 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.105 0.145 19822 208 1 3 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.332 -1.292 19822 209 1 3 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.572 1.159 19822 210 1 3 . 1 1 14 14 TYR H H 14 7.600 7.600 6.997 0.603 19822 211 1 3 . 1 1 15 15 GLN N N 15 118.260 118.260 117.107 1.153 19822 212 1 3 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.980 -0.110 19822 213 1 3 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.577 -0.107 19822 214 1 3 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.207 1.073 19822 215 1 3 . 1 1 15 15 GLN H H 15 7.430 7.430 7.790 -0.360 19822 216 1 3 . 1 1 16 16 LEU N N 16 119.850 119.850 119.701 0.149 19822 217 1 3 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822 218 1 3 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.658 0.291 19822 219 1 3 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.939 0.041 19822 220 1 3 . 1 1 16 16 LEU H H 16 7.870 7.870 8.055 -0.185 19822 221 1 3 . 1 1 17 17 GLU N N 17 116.160 116.160 120.999 -4.839 19822 222 1 3 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.005 0.105 19822 223 1 3 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.191 -0.991 19822 224 1 3 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.225 0.085 19822 225 1 3 . 1 1 17 17 GLU H H 17 8.050 8.050 8.761 -0.711 19822 226 1 3 . 1 1 18 18 ASN N N 18 116.120 116.120 118.426 -2.306 19822 227 1 3 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.312 0.098 19822 228 1 3 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.700 -0.940 19822 229 1 3 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.012 0.558 19822 230 1 3 . 1 1 18 18 ASN H H 18 7.250 7.250 8.209 -0.959 19822 231 1 3 . 1 1 19 19 TYR N N 19 117.010 117.010 115.854 1.156 19822 232 1 3 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.594 -0.264 19822 233 1 3 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.973 2.087 19822 234 1 3 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.891 0.719 19822 235 1 3 . 1 1 19 19 TYR H H 19 7.950 7.950 7.176 0.774 19822 236 1 3 . 1 1 20 20 CYS N N 20 116.970 116.970 121.307 -4.337 19822 237 1 3 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.378 0.682 19822 238 1 3 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.071 -5.831 19822 239 1 3 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.628 10.863 19822 240 1 3 . 1 1 20 20 CYS H H 20 7.400 7.400 8.364 -0.964 19822 241 1 4 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.495 0.325 19822 242 1 4 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.050 0.380 19822 243 1 4 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.806 -0.035 19822 244 1 4 . 1 1 2 2 ILE H H 2 7.080 7.080 8.165 -1.085 19822 245 1 4 . 1 1 3 3 VAL N N 3 122.980 122.980 118.591 4.389 19822 246 1 4 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.476 0.064 19822 247 1 4 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.290 0.130 19822 248 1 4 . 1 1 3 3 VAL H H 3 8.190 8.190 7.832 0.358 19822 249 1 4 . 1 1 4 4 GLU N N 4 121.710 121.710 120.361 1.349 19822 250 1 4 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.881 0.159 19822 251 1 4 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.334 -0.334 19822 252 1 4 . 1 1 4 4 GLU H H 4 8.350 8.350 7.867 0.483 19822 253 1 4 . 1 1 5 5 GLN N N 5 110.870 110.870 118.223 -7.353 19822 254 1 4 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.092 -0.102 19822 255 1 4 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.799 -0.459 19822 256 1 4 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.684 0.776 19822 257 1 4 . 1 1 5 5 GLN H H 5 8.260 8.260 7.875 0.385 19822 258 1 4 . 1 1 6 6 CYS CB C 6 39.400 39.400 26.996 12.404 19822 259 1 4 . 1 1 7 7 CYS N N 7 118.590 118.590 119.452 -0.862 19822 260 1 4 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.396 0.444 19822 261 1 4 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.243 -5.274 19822 262 1 4 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.779 12.031 19822 263 1 4 . 1 1 7 7 CYS H H 7 8.160 8.160 9.061 -0.901 19822 264 1 4 . 1 1 8 8 THR HA H 8 3.980 3.980 4.246 -0.266 19822 265 1 4 . 1 1 8 8 THR CA C 8 64.480 64.480 65.018 -0.538 19822 266 1 4 . 1 1 8 8 THR CB C 8 68.600 68.600 69.175 -0.575 19822 267 1 4 . 1 1 8 8 THR H H 8 8.230 8.230 7.871 0.359 19822 268 1 4 . 1 1 9 9 SER HA H 9 4.706 4.706 4.683 0.023 19822 269 1 4 . 1 1 9 9 SER CA C 9 56.480 56.480 57.337 -0.858 19822 270 1 4 . 1 1 9 9 SER CB C 9 64.590 64.590 66.176 -1.586 19822 271 1 4 . 1 1 9 9 SER H H 9 7.320 7.320 7.793 -0.473 19822 272 1 4 . 1 1 10 10 ILE N N 10 117.550 117.550 121.219 -3.669 19822 273 1 4 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.038 0.212 19822 274 1 4 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.104 -0.924 19822 275 1 4 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.053 0.847 19822 276 1 4 . 1 1 10 10 ILE H H 10 7.810 7.810 8.349 -0.539 19822 277 1 4 . 1 1 11 11 CYS H H 11 9.920 9.920 8.810 1.110 19822 278 1 4 . 1 1 12 12 SER HA H 12 4.560 4.560 4.707 -0.147 19822 279 1 4 . 1 1 12 12 SER CA C 12 56.610 56.610 57.295 -0.685 19822 280 1 4 . 1 1 12 12 SER CB C 12 65.750 65.750 65.546 0.204 19822 281 1 4 . 1 1 13 13 LEU N N 13 121.930 121.930 123.811 -1.881 19822 282 1 4 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.859 -0.069 19822 283 1 4 . 1 1 13 13 LEU CA C 13 58.480 58.480 58.053 0.427 19822 284 1 4 . 1 1 13 13 LEU CB C 13 41.170 41.170 41.223 -0.053 19822 285 1 4 . 1 1 13 13 LEU H H 13 8.650 8.650 8.459 0.191 19822 286 1 4 . 1 1 14 14 TYR N N 14 115.930 115.930 116.206 -0.276 19822 287 1 4 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.012 0.238 19822 288 1 4 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.759 -1.719 19822 289 1 4 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.755 0.975 19822 290 1 4 . 1 1 14 14 TYR H H 14 7.600 7.600 7.038 0.562 19822 291 1 4 . 1 1 15 15 GLN N N 15 118.260 118.260 116.971 1.289 19822 292 1 4 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.983 -0.113 19822 293 1 4 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.648 -0.178 19822 294 1 4 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.111 1.169 19822 295 1 4 . 1 1 15 15 GLN H H 15 7.430 7.430 7.850 -0.420 19822 296 1 4 . 1 1 16 16 LEU N N 16 119.850 119.850 119.623 0.227 19822 297 1 4 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.340 -0.270 19822 298 1 4 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.643 0.307 19822 299 1 4 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.933 0.047 19822 300 1 4 . 1 1 16 16 LEU H H 16 7.870 7.870 8.055 -0.185 19822 301 1 4 . 1 1 17 17 GLU N N 17 116.160 116.160 121.000 -4.840 19822 302 1 4 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.012 0.098 19822 303 1 4 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.174 -0.974 19822 304 1 4 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.236 0.074 19822 305 1 4 . 1 1 17 17 GLU H H 17 8.050 8.050 8.748 -0.698 19822 306 1 4 . 1 1 18 18 ASN N N 18 116.120 116.120 118.441 -2.321 19822 307 1 4 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.312 0.098 19822 308 1 4 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.717 -0.957 19822 309 1 4 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.021 0.549 19822 310 1 4 . 1 1 18 18 ASN H H 18 7.250 7.250 8.224 -0.974 19822 311 1 4 . 1 1 19 19 TYR N N 19 117.010 117.010 115.845 1.165 19822 312 1 4 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.591 -0.261 19822 313 1 4 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.982 2.078 19822 314 1 4 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.900 0.710 19822 315 1 4 . 1 1 19 19 TYR H H 19 7.950 7.950 7.173 0.777 19822 316 1 4 . 1 1 20 20 CYS N N 20 116.970 116.970 121.386 -4.416 19822 317 1 4 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.379 0.681 19822 318 1 4 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.061 -5.821 19822 319 1 4 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.656 10.834 19822 320 1 4 . 1 1 20 20 CYS H H 20 7.400 7.400 8.344 -0.944 19822 321 1 5 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.454 0.366 19822 322 1 5 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.481 -0.051 19822 323 1 5 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.779 -0.009 19822 324 1 5 . 1 1 2 2 ILE H H 2 7.080 7.080 8.160 -1.080 19822 325 1 5 . 1 1 3 3 VAL N N 3 122.980 122.980 119.088 3.892 19822 326 1 5 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.565 -0.025 19822 327 1 5 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.236 0.184 19822 328 1 5 . 1 1 3 3 VAL H H 3 8.190 8.190 7.756 0.434 19822 329 1 5 . 1 1 4 4 GLU N N 4 121.710 121.710 120.358 1.352 19822 330 1 5 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.881 0.159 19822 331 1 5 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.337 -0.337 19822 332 1 5 . 1 1 4 4 GLU H H 4 8.350 8.350 7.836 0.514 19822 333 1 5 . 1 1 5 5 GLN N N 5 110.870 110.870 118.222 -7.352 19822 334 1 5 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.089 -0.099 19822 335 1 5 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.783 -0.443 19822 336 1 5 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.654 0.806 19822 337 1 5 . 1 1 5 5 GLN H H 5 8.260 8.260 7.865 0.395 19822 338 1 5 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.006 12.394 19822 339 1 5 . 1 1 7 7 CYS N N 7 118.590 118.590 119.752 -1.162 19822 340 1 5 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.363 0.477 19822 341 1 5 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.100 -5.130 19822 342 1 5 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.986 11.824 19822 343 1 5 . 1 1 7 7 CYS H H 7 8.160 8.160 8.991 -0.831 19822 344 1 5 . 1 1 8 8 THR HA H 8 3.980 3.980 4.211 -0.231 19822 345 1 5 . 1 1 8 8 THR CA C 8 64.480 64.480 65.289 -0.809 19822 346 1 5 . 1 1 8 8 THR CB C 8 68.600 68.600 69.210 -0.610 19822 347 1 5 . 1 1 8 8 THR H H 8 8.230 8.230 7.864 0.366 19822 348 1 5 . 1 1 9 9 SER HA H 9 4.706 4.706 4.669 0.037 19822 349 1 5 . 1 1 9 9 SER CA C 9 56.480 56.480 56.972 -0.492 19822 350 1 5 . 1 1 9 9 SER CB C 9 64.590 64.590 66.418 -1.828 19822 351 1 5 . 1 1 9 9 SER H H 9 7.320 7.320 7.712 -0.392 19822 352 1 5 . 1 1 10 10 ILE N N 10 117.550 117.550 121.307 -3.757 19822 353 1 5 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.031 0.219 19822 354 1 5 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.225 -1.045 19822 355 1 5 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.352 0.548 19822 356 1 5 . 1 1 10 10 ILE H H 10 7.810 7.810 8.272 -0.462 19822 357 1 5 . 1 1 11 11 CYS H H 11 9.920 9.920 8.730 1.190 19822 358 1 5 . 1 1 12 12 SER HA H 12 4.560 4.560 4.726 -0.166 19822 359 1 5 . 1 1 12 12 SER CA C 12 56.610 56.610 57.284 -0.674 19822 360 1 5 . 1 1 12 12 SER CB C 12 65.750 65.750 65.282 0.468 19822 361 1 5 . 1 1 13 13 LEU N N 13 121.930 121.930 123.698 -1.768 19822 362 1 5 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.860 -0.070 19822 363 1 5 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.924 0.556 19822 364 1 5 . 1 1 13 13 LEU CB C 13 41.170 41.170 41.315 -0.145 19822 365 1 5 . 1 1 13 13 LEU H H 13 8.650 8.650 8.401 0.249 19822 366 1 5 . 1 1 14 14 TYR N N 14 115.930 115.930 116.171 -0.241 19822 367 1 5 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.060 0.190 19822 368 1 5 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.574 -1.534 19822 369 1 5 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.657 1.073 19822 370 1 5 . 1 1 14 14 TYR H H 14 7.600 7.600 6.988 0.612 19822 371 1 5 . 1 1 15 15 GLN N N 15 118.260 118.260 116.994 1.266 19822 372 1 5 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.984 -0.114 19822 373 1 5 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.625 -0.155 19822 374 1 5 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.137 1.143 19822 375 1 5 . 1 1 15 15 GLN H H 15 7.430 7.430 7.828 -0.398 19822 376 1 5 . 1 1 16 16 LEU N N 16 119.850 119.850 119.702 0.148 19822 377 1 5 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.336 -0.266 19822 378 1 5 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.659 0.291 19822 379 1 5 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.931 0.049 19822 380 1 5 . 1 1 16 16 LEU H H 16 7.870 7.870 8.062 -0.192 19822 381 1 5 . 1 1 17 17 GLU N N 17 116.160 116.160 120.971 -4.811 19822 382 1 5 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.006 0.104 19822 383 1 5 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.188 -0.988 19822 384 1 5 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.228 0.082 19822 385 1 5 . 1 1 17 17 GLU H H 17 8.050 8.050 8.755 -0.705 19822 386 1 5 . 1 1 18 18 ASN N N 18 116.120 116.120 118.435 -2.315 19822 387 1 5 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822 388 1 5 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.717 -0.957 19822 389 1 5 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.024 0.546 19822 390 1 5 . 1 1 18 18 ASN H H 18 7.250 7.250 8.207 -0.957 19822 391 1 5 . 1 1 19 19 TYR N N 19 117.010 117.010 115.007 2.003 19822 392 1 5 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.578 -0.248 19822 393 1 5 . 1 1 19 19 TYR CA C 19 59.060 59.060 57.345 1.715 19822 394 1 5 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.477 1.133 19822 395 1 5 . 1 1 19 19 TYR H H 19 7.950 7.950 7.194 0.756 19822 396 1 5 . 1 1 20 20 CYS N N 20 116.970 116.970 121.486 -4.516 19822 397 1 5 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.373 0.687 19822 398 1 5 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.062 -5.822 19822 399 1 5 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.591 10.899 19822 400 1 5 . 1 1 20 20 CYS H H 20 7.400 7.400 8.326 -0.926 19822 401 1 6 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.623 0.197 19822 402 1 6 . 1 1 2 2 ILE CA C 2 63.430 63.430 62.567 0.863 19822 403 1 6 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.569 0.201 19822 404 1 6 . 1 1 2 2 ILE H H 2 7.080 7.080 7.828 -0.748 19822 405 1 6 . 1 1 3 3 VAL N N 3 122.980 122.980 119.541 3.439 19822 406 1 6 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.600 -0.060 19822 407 1 6 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.122 0.298 19822 408 1 6 . 1 1 3 3 VAL H H 3 8.190 8.190 7.764 0.426 19822 409 1 6 . 1 1 4 4 GLU N N 4 121.710 121.710 120.373 1.337 19822 410 1 6 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.919 0.121 19822 411 1 6 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.433 -0.433 19822 412 1 6 . 1 1 4 4 GLU H H 4 8.350 8.350 8.372 -0.022 19822 413 1 6 . 1 1 5 5 GLN N N 5 110.870 110.870 118.025 -7.155 19822 414 1 6 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.109 -0.119 19822 415 1 6 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.756 -0.416 19822 416 1 6 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.710 0.750 19822 417 1 6 . 1 1 5 5 GLN H H 5 8.260 8.260 7.910 0.350 19822 418 1 6 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.044 12.356 19822 419 1 6 . 1 1 7 7 CYS N N 7 118.590 118.590 119.724 -1.134 19822 420 1 6 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.366 0.474 19822 421 1 6 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.113 -5.143 19822 422 1 6 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.977 11.833 19822 423 1 6 . 1 1 7 7 CYS H H 7 8.160 8.160 8.993 -0.833 19822 424 1 6 . 1 1 8 8 THR HA H 8 3.980 3.980 4.231 -0.251 19822 425 1 6 . 1 1 8 8 THR CA C 8 64.480 64.480 65.172 -0.692 19822 426 1 6 . 1 1 8 8 THR CB C 8 68.600 68.600 69.203 -0.603 19822 427 1 6 . 1 1 8 8 THR H H 8 8.230 8.230 7.840 0.390 19822 428 1 6 . 1 1 9 9 SER HA H 9 4.706 4.706 4.676 0.030 19822 429 1 6 . 1 1 9 9 SER CA C 9 56.480 56.480 57.271 -0.791 19822 430 1 6 . 1 1 9 9 SER CB C 9 64.590 64.590 66.137 -1.547 19822 431 1 6 . 1 1 9 9 SER H H 9 7.320 7.320 7.789 -0.469 19822 432 1 6 . 1 1 10 10 ILE N N 10 117.550 117.550 121.320 -3.770 19822 433 1 6 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.004 0.246 19822 434 1 6 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.145 -0.965 19822 435 1 6 . 1 1 10 10 ILE CB C 10 38.900 38.900 37.970 0.930 19822 436 1 6 . 1 1 10 10 ILE H H 10 7.810 7.810 8.344 -0.534 19822 437 1 6 . 1 1 11 11 CYS H H 11 9.920 9.920 8.779 1.141 19822 438 1 6 . 1 1 12 12 SER HA H 12 4.560 4.560 4.669 -0.109 19822 439 1 6 . 1 1 12 12 SER CA C 12 56.610 56.610 56.906 -0.296 19822 440 1 6 . 1 1 12 12 SER CB C 12 65.750 65.750 64.997 0.753 19822 441 1 6 . 1 1 13 13 LEU N N 13 121.930 121.930 124.742 -2.812 19822 442 1 6 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.874 -0.084 19822 443 1 6 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.961 0.519 19822 444 1 6 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.763 0.407 19822 445 1 6 . 1 1 13 13 LEU H H 13 8.650 8.650 8.298 0.352 19822 446 1 6 . 1 1 14 14 TYR N N 14 115.930 115.930 115.675 0.255 19822 447 1 6 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.255 -0.005 19822 448 1 6 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.081 -1.041 19822 449 1 6 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.614 1.116 19822 450 1 6 . 1 1 14 14 TYR H H 14 7.600 7.600 7.227 0.373 19822 451 1 6 . 1 1 15 15 GLN N N 15 118.260 118.260 117.135 1.125 19822 452 1 6 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.978 -0.108 19822 453 1 6 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.581 -0.111 19822 454 1 6 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.217 1.063 19822 455 1 6 . 1 1 15 15 GLN H H 15 7.430 7.430 7.793 -0.363 19822 456 1 6 . 1 1 16 16 LEU N N 16 119.850 119.850 119.705 0.145 19822 457 1 6 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.337 -0.267 19822 458 1 6 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.670 0.280 19822 459 1 6 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.948 0.032 19822 460 1 6 . 1 1 16 16 LEU H H 16 7.870 7.870 8.053 -0.182 19822 461 1 6 . 1 1 17 17 GLU N N 17 116.160 116.160 121.000 -4.840 19822 462 1 6 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.000 0.110 19822 463 1 6 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.203 -1.003 19822 464 1 6 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.217 0.093 19822 465 1 6 . 1 1 17 17 GLU H H 17 8.050 8.050 8.765 -0.715 19822 466 1 6 . 1 1 18 18 ASN N N 18 116.120 116.120 118.422 -2.302 19822 467 1 6 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822 468 1 6 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.711 -0.951 19822 469 1 6 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.029 0.541 19822 470 1 6 . 1 1 18 18 ASN H H 18 7.250 7.250 8.213 -0.963 19822 471 1 6 . 1 1 19 19 TYR N N 19 117.010 117.010 115.812 1.198 19822 472 1 6 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.597 -0.267 19822 473 1 6 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.954 2.106 19822 474 1 6 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.894 0.716 19822 475 1 6 . 1 1 19 19 TYR H H 19 7.950 7.950 7.180 0.770 19822 476 1 6 . 1 1 20 20 CYS N N 20 116.970 116.970 121.332 -4.362 19822 477 1 6 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.382 0.678 19822 478 1 6 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.062 -5.822 19822 479 1 6 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.631 10.859 19822 480 1 6 . 1 1 20 20 CYS H H 20 7.400 7.400 8.378 -0.978 19822 481 1 7 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.483 0.337 19822 482 1 7 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.263 0.168 19822 483 1 7 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.819 -0.049 19822 484 1 7 . 1 1 2 2 ILE H H 2 7.080 7.080 8.183 -1.103 19822 485 1 7 . 1 1 3 3 VAL N N 3 122.980 122.980 119.147 3.833 19822 486 1 7 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.557 -0.017 19822 487 1 7 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.233 0.188 19822 488 1 7 . 1 1 3 3 VAL H H 3 8.190 8.190 7.802 0.388 19822 489 1 7 . 1 1 4 4 GLU N N 4 121.710 121.710 120.296 1.414 19822 490 1 7 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.880 0.160 19822 491 1 7 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.321 -0.321 19822 492 1 7 . 1 1 4 4 GLU H H 4 8.350 8.350 7.809 0.541 19822 493 1 7 . 1 1 5 5 GLN N N 5 110.870 110.870 118.064 -7.194 19822 494 1 7 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.109 -0.119 19822 495 1 7 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.728 -0.388 19822 496 1 7 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.680 0.780 19822 497 1 7 . 1 1 5 5 GLN H H 5 8.260 8.260 7.876 0.384 19822 498 1 7 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.043 12.357 19822 499 1 7 . 1 1 7 7 CYS N N 7 118.590 118.590 119.727 -1.137 19822 500 1 7 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.366 0.474 19822 501 1 7 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.041 -5.071 19822 502 1 7 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.983 11.826 19822 503 1 7 . 1 1 7 7 CYS H H 7 8.160 8.160 8.958 -0.798 19822 504 1 7 . 1 1 8 8 THR HA H 8 3.980 3.980 4.254 -0.274 19822 505 1 7 . 1 1 8 8 THR CA C 8 64.480 64.480 64.920 -0.440 19822 506 1 7 . 1 1 8 8 THR CB C 8 68.600 68.600 69.165 -0.565 19822 507 1 7 . 1 1 8 8 THR H H 8 8.230 8.230 7.855 0.375 19822 508 1 7 . 1 1 9 9 SER HA H 9 4.706 4.706 4.726 -0.020 19822 509 1 7 . 1 1 9 9 SER CA C 9 56.480 56.480 56.749 -0.269 19822 510 1 7 . 1 1 9 9 SER CB C 9 64.590 64.590 66.297 -1.707 19822 511 1 7 . 1 1 9 9 SER H H 9 7.320 7.320 7.777 -0.457 19822 512 1 7 . 1 1 10 10 ILE N N 10 117.550 117.550 121.212 -3.662 19822 513 1 7 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.008 0.242 19822 514 1 7 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.216 -1.036 19822 515 1 7 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.186 0.714 19822 516 1 7 . 1 1 10 10 ILE H H 10 7.810 7.810 8.269 -0.459 19822 517 1 7 . 1 1 11 11 CYS H H 11 9.920 9.920 8.782 1.138 19822 518 1 7 . 1 1 12 12 SER HA H 12 4.560 4.560 4.719 -0.159 19822 519 1 7 . 1 1 12 12 SER CA C 12 56.610 56.610 57.259 -0.649 19822 520 1 7 . 1 1 12 12 SER CB C 12 65.750 65.750 65.397 0.353 19822 521 1 7 . 1 1 13 13 LEU N N 13 121.930 121.930 124.654 -2.724 19822 522 1 7 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.872 -0.082 19822 523 1 7 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.813 0.667 19822 524 1 7 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.872 0.298 19822 525 1 7 . 1 1 13 13 LEU H H 13 8.650 8.650 8.320 0.330 19822 526 1 7 . 1 1 14 14 TYR N N 14 115.930 115.930 115.939 -0.009 19822 527 1 7 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.267 -0.017 19822 528 1 7 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.074 -1.034 19822 529 1 7 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.577 1.153 19822 530 1 7 . 1 1 14 14 TYR H H 14 7.600 7.600 7.163 0.437 19822 531 1 7 . 1 1 15 15 GLN N N 15 118.260 118.260 117.000 1.260 19822 532 1 7 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.983 -0.113 19822 533 1 7 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.636 -0.166 19822 534 1 7 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.135 1.145 19822 535 1 7 . 1 1 15 15 GLN H H 15 7.430 7.430 7.836 -0.406 19822 536 1 7 . 1 1 16 16 LEU N N 16 119.850 119.850 119.682 0.168 19822 537 1 7 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822 538 1 7 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.652 0.298 19822 539 1 7 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.939 0.041 19822 540 1 7 . 1 1 16 16 LEU H H 16 7.870 7.870 8.063 -0.193 19822 541 1 7 . 1 1 17 17 GLU N N 17 116.160 116.160 120.974 -4.814 19822 542 1 7 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.005 0.105 19822 543 1 7 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.185 -0.985 19822 544 1 7 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.230 0.080 19822 545 1 7 . 1 1 17 17 GLU H H 17 8.050 8.050 8.751 -0.701 19822 546 1 7 . 1 1 18 18 ASN N N 18 116.120 116.120 118.443 -2.323 19822 547 1 7 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822 548 1 7 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.715 -0.955 19822 549 1 7 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.017 0.553 19822 550 1 7 . 1 1 18 18 ASN H H 18 7.250 7.250 8.213 -0.963 19822 551 1 7 . 1 1 19 19 TYR N N 19 117.010 117.010 115.849 1.161 19822 552 1 7 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.592 -0.262 19822 553 1 7 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.983 2.077 19822 554 1 7 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.900 0.710 19822 555 1 7 . 1 1 19 19 TYR H H 19 7.950 7.950 7.174 0.776 19822 556 1 7 . 1 1 20 20 CYS N N 20 116.970 116.970 121.511 -4.541 19822 557 1 7 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.368 0.692 19822 558 1 7 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.109 -5.869 19822 559 1 7 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.579 10.911 19822 560 1 7 . 1 1 20 20 CYS H H 20 7.400 7.400 8.310 -0.910 19822 561 1 8 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.506 0.314 19822 562 1 8 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.109 0.321 19822 563 1 8 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.857 -0.087 19822 564 1 8 . 1 1 2 2 ILE H H 2 7.080 7.080 8.191 -1.111 19822 565 1 8 . 1 1 3 3 VAL N N 3 122.980 122.980 118.728 4.252 19822 566 1 8 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.600 -0.060 19822 567 1 8 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.787 0.633 19822 568 1 8 . 1 1 3 3 VAL H H 3 8.190 8.190 7.861 0.329 19822 569 1 8 . 1 1 4 4 GLU N N 4 121.710 121.710 120.735 0.975 19822 570 1 8 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.925 0.115 19822 571 1 8 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.365 -0.365 19822 572 1 8 . 1 1 4 4 GLU H H 4 8.350 8.350 7.885 0.465 19822 573 1 8 . 1 1 5 5 GLN N N 5 110.870 110.870 117.956 -7.086 19822 574 1 8 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.114 -0.124 19822 575 1 8 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.703 -0.363 19822 576 1 8 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.693 0.767 19822 577 1 8 . 1 1 5 5 GLN H H 5 8.260 8.260 7.864 0.396 19822 578 1 8 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.075 12.325 19822 579 1 8 . 1 1 7 7 CYS N N 7 118.590 118.590 120.152 -1.562 19822 580 1 8 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.342 0.498 19822 581 1 8 . 1 1 7 7 CYS CA C 7 56.970 56.970 61.694 -4.724 19822 582 1 8 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.078 11.732 19822 583 1 8 . 1 1 7 7 CYS H H 7 8.160 8.160 8.909 -0.749 19822 584 1 8 . 1 1 8 8 THR HA H 8 3.980 3.980 4.125 -0.145 19822 585 1 8 . 1 1 8 8 THR CA C 8 64.480 64.480 64.811 -0.331 19822 586 1 8 . 1 1 8 8 THR CB C 8 68.600 68.600 69.229 -0.629 19822 587 1 8 . 1 1 8 8 THR H H 8 8.230 8.230 7.953 0.277 19822 588 1 8 . 1 1 9 9 SER HA H 9 4.706 4.706 4.680 0.026 19822 589 1 8 . 1 1 9 9 SER CA C 9 56.480 56.480 56.889 -0.409 19822 590 1 8 . 1 1 9 9 SER CB C 9 64.590 64.590 66.207 -1.617 19822 591 1 8 . 1 1 9 9 SER H H 9 7.320 7.320 7.714 -0.394 19822 592 1 8 . 1 1 10 10 ILE N N 10 117.550 117.550 121.355 -3.805 19822 593 1 8 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.023 0.227 19822 594 1 8 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.172 -0.992 19822 595 1 8 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.222 0.678 19822 596 1 8 . 1 1 10 10 ILE H H 10 7.810 7.810 8.291 -0.481 19822 597 1 8 . 1 1 11 11 CYS H H 11 9.920 9.920 8.747 1.173 19822 598 1 8 . 1 1 12 12 SER HA H 12 4.560 4.560 4.709 -0.149 19822 599 1 8 . 1 1 12 12 SER CA C 12 56.610 56.610 57.096 -0.486 19822 600 1 8 . 1 1 12 12 SER CB C 12 65.750 65.750 65.055 0.695 19822 601 1 8 . 1 1 13 13 LEU N N 13 121.930 121.930 124.740 -2.810 19822 602 1 8 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.885 -0.095 19822 603 1 8 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.906 0.574 19822 604 1 8 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.817 0.353 19822 605 1 8 . 1 1 13 13 LEU H H 13 8.650 8.650 8.281 0.369 19822 606 1 8 . 1 1 14 14 TYR N N 14 115.930 115.930 115.838 0.092 19822 607 1 8 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.066 0.184 19822 608 1 8 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.306 -1.266 19822 609 1 8 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.608 1.122 19822 610 1 8 . 1 1 14 14 TYR H H 14 7.600 7.600 7.175 0.425 19822 611 1 8 . 1 1 15 15 GLN N N 15 118.260 118.260 117.018 1.242 19822 612 1 8 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.982 -0.113 19822 613 1 8 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.636 -0.166 19822 614 1 8 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.141 1.139 19822 615 1 8 . 1 1 15 15 GLN H H 15 7.430 7.430 7.830 -0.400 19822 616 1 8 . 1 1 16 16 LEU N N 16 119.850 119.850 119.680 0.170 19822 617 1 8 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.337 -0.267 19822 618 1 8 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.665 0.285 19822 619 1 8 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.939 0.041 19822 620 1 8 . 1 1 16 16 LEU H H 16 7.870 7.870 8.065 -0.195 19822 621 1 8 . 1 1 17 17 GLU N N 17 116.160 116.160 120.979 -4.819 19822 622 1 8 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.003 0.107 19822 623 1 8 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.191 -0.991 19822 624 1 8 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.224 0.087 19822 625 1 8 . 1 1 17 17 GLU H H 17 8.050 8.050 8.753 -0.703 19822 626 1 8 . 1 1 18 18 ASN N N 18 116.120 116.120 118.435 -2.315 19822 627 1 8 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.312 0.098 19822 628 1 8 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.710 -0.950 19822 629 1 8 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.016 0.554 19822 630 1 8 . 1 1 18 18 ASN H H 18 7.250 7.250 8.206 -0.956 19822 631 1 8 . 1 1 19 19 TYR N N 19 117.010 117.010 115.854 1.156 19822 632 1 8 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.592 -0.262 19822 633 1 8 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.998 2.062 19822 634 1 8 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.900 0.710 19822 635 1 8 . 1 1 19 19 TYR H H 19 7.950 7.950 7.179 0.771 19822 636 1 8 . 1 1 20 20 CYS N N 20 116.970 116.970 121.491 -4.521 19822 637 1 8 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.369 0.691 19822 638 1 8 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.095 -5.855 19822 639 1 8 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.576 10.914 19822 640 1 8 . 1 1 20 20 CYS H H 20 7.400 7.400 8.307 -0.907 19822 641 1 9 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.646 0.174 19822 642 1 9 . 1 1 2 2 ILE CA C 2 63.430 63.430 62.789 0.641 19822 643 1 9 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.983 -0.213 19822 644 1 9 . 1 1 2 2 ILE H H 2 7.080 7.080 8.261 -1.181 19822 645 1 9 . 1 1 3 3 VAL N N 3 122.980 122.980 120.637 2.343 19822 646 1 9 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.685 -0.145 19822 647 1 9 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.053 0.367 19822 648 1 9 . 1 1 3 3 VAL H H 3 8.190 8.190 7.702 0.488 19822 649 1 9 . 1 1 4 4 GLU N N 4 121.710 121.710 119.935 1.775 19822 650 1 9 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.922 0.118 19822 651 1 9 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.386 -0.386 19822 652 1 9 . 1 1 4 4 GLU H H 4 8.350 8.350 8.378 -0.028 19822 653 1 9 . 1 1 5 5 GLN N N 5 110.870 110.870 118.049 -7.179 19822 654 1 9 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.104 -0.114 19822 655 1 9 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.785 -0.445 19822 656 1 9 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.708 0.752 19822 657 1 9 . 1 1 5 5 GLN H H 5 8.260 8.260 7.918 0.342 19822 658 1 9 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.042 12.358 19822 659 1 9 . 1 1 7 7 CYS N N 7 118.590 118.590 119.746 -1.156 19822 660 1 9 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.363 0.477 19822 661 1 9 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.087 -5.117 19822 662 1 9 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.979 11.831 19822 663 1 9 . 1 1 7 7 CYS H H 7 8.160 8.160 8.987 -0.827 19822 664 1 9 . 1 1 8 8 THR HA H 8 3.980 3.980 4.223 -0.243 19822 665 1 9 . 1 1 8 8 THR CA C 8 64.480 64.480 65.222 -0.741 19822 666 1 9 . 1 1 8 8 THR CB C 8 68.600 68.600 69.217 -0.617 19822 667 1 9 . 1 1 8 8 THR H H 8 8.230 8.230 7.853 0.377 19822 668 1 9 . 1 1 9 9 SER HA H 9 4.706 4.706 4.681 0.025 19822 669 1 9 . 1 1 9 9 SER CA C 9 56.480 56.480 57.339 -0.859 19822 670 1 9 . 1 1 9 9 SER CB C 9 64.590 64.590 66.168 -1.578 19822 671 1 9 . 1 1 9 9 SER H H 9 7.320 7.320 7.815 -0.495 19822 672 1 9 . 1 1 10 10 ILE N N 10 117.550 117.550 121.230 -3.680 19822 673 1 9 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.008 0.242 19822 674 1 9 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.187 -1.007 19822 675 1 9 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.067 0.833 19822 676 1 9 . 1 1 10 10 ILE H H 10 7.810 7.810 8.338 -0.528 19822 677 1 9 . 1 1 11 11 CYS H H 11 9.920 9.920 8.799 1.121 19822 678 1 9 . 1 1 12 12 SER HA H 12 4.560 4.560 4.726 -0.166 19822 679 1 9 . 1 1 12 12 SER CA C 12 56.610 56.610 56.975 -0.365 19822 680 1 9 . 1 1 12 12 SER CB C 12 65.750 65.750 65.623 0.127 19822 681 1 9 . 1 1 13 13 LEU N N 13 121.930 121.930 124.678 -2.748 19822 682 1 9 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.857 -0.067 19822 683 1 9 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.737 0.743 19822 684 1 9 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.821 0.349 19822 685 1 9 . 1 1 13 13 LEU H H 13 8.650 8.650 8.413 0.237 19822 686 1 9 . 1 1 14 14 TYR N N 14 115.930 115.930 115.619 0.311 19822 687 1 9 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.051 0.199 19822 688 1 9 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.373 -1.333 19822 689 1 9 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.664 1.066 19822 690 1 9 . 1 1 14 14 TYR H H 14 7.600 7.600 7.207 0.393 19822 691 1 9 . 1 1 15 15 GLN N N 15 118.260 118.260 117.083 1.177 19822 692 1 9 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.979 -0.109 19822 693 1 9 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.594 -0.124 19822 694 1 9 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.190 1.090 19822 695 1 9 . 1 1 15 15 GLN H H 15 7.430 7.430 7.801 -0.371 19822 696 1 9 . 1 1 16 16 LEU N N 16 119.850 119.850 119.725 0.125 19822 697 1 9 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822 698 1 9 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.665 0.285 19822 699 1 9 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.955 0.026 19822 700 1 9 . 1 1 16 16 LEU H H 16 7.870 7.870 8.056 -0.186 19822 701 1 9 . 1 1 17 17 GLU N N 17 116.160 116.160 120.969 -4.809 19822 702 1 9 . 1 1 17 17 GLU HA H 17 4.110 4.110 3.997 0.113 19822 703 1 9 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.203 -1.003 19822 704 1 9 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.217 0.093 19822 705 1 9 . 1 1 17 17 GLU H H 17 8.050 8.050 8.767 -0.717 19822 706 1 9 . 1 1 18 18 ASN N N 18 116.120 116.120 118.444 -2.324 19822 707 1 9 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.314 0.096 19822 708 1 9 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.707 -0.947 19822 709 1 9 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.011 0.558 19822 710 1 9 . 1 1 18 18 ASN H H 18 7.250 7.250 8.200 -0.950 19822 711 1 9 . 1 1 19 19 TYR N N 19 117.010 117.010 115.848 1.162 19822 712 1 9 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.590 -0.260 19822 713 1 9 . 1 1 19 19 TYR CA C 19 59.060 59.060 57.007 2.053 19822 714 1 9 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.897 0.713 19822 715 1 9 . 1 1 19 19 TYR H H 19 7.950 7.950 7.179 0.771 19822 716 1 9 . 1 1 20 20 CYS N N 20 116.970 116.970 121.481 -4.511 19822 717 1 9 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.371 0.689 19822 718 1 9 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.084 -5.844 19822 719 1 9 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.583 10.907 19822 720 1 9 . 1 1 20 20 CYS H H 20 7.400 7.400 8.296 -0.896 19822 721 1 10 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.462 0.358 19822 722 1 10 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.403 0.027 19822 723 1 10 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.771 -0.001 19822 724 1 10 . 1 1 2 2 ILE H H 2 7.080 7.080 8.097 -1.017 19822 725 1 10 . 1 1 3 3 VAL N N 3 122.980 122.980 118.551 4.429 19822 726 1 10 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.586 -0.046 19822 727 1 10 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.786 0.634 19822 728 1 10 . 1 1 3 3 VAL H H 3 8.190 8.190 7.810 0.380 19822 729 1 10 . 1 1 4 4 GLU N N 4 121.710 121.710 120.832 0.878 19822 730 1 10 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.911 0.129 19822 731 1 10 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.324 -0.324 19822 732 1 10 . 1 1 4 4 GLU H H 4 8.350 8.350 7.877 0.473 19822 733 1 10 . 1 1 5 5 GLN N N 5 110.870 110.870 118.067 -7.197 19822 734 1 10 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.104 -0.114 19822 735 1 10 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.714 -0.374 19822 736 1 10 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.656 0.804 19822 737 1 10 . 1 1 5 5 GLN H H 5 8.260 8.260 7.911 0.349 19822 738 1 10 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.061 12.339 19822 739 1 10 . 1 1 7 7 CYS N N 7 118.590 118.590 119.707 -1.117 19822 740 1 10 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.369 0.471 19822 741 1 10 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.132 -5.162 19822 742 1 10 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.972 11.838 19822 743 1 10 . 1 1 7 7 CYS H H 7 8.160 8.160 8.999 -0.839 19822 744 1 10 . 1 1 8 8 THR HA H 8 3.980 3.980 4.230 -0.250 19822 745 1 10 . 1 1 8 8 THR CA C 8 64.480 64.480 65.285 -0.805 19822 746 1 10 . 1 1 8 8 THR CB C 8 68.600 68.600 69.172 -0.572 19822 747 1 10 . 1 1 8 8 THR H H 8 8.230 8.230 7.892 0.338 19822 748 1 10 . 1 1 9 9 SER HA H 9 4.706 4.706 4.690 0.016 19822 749 1 10 . 1 1 9 9 SER CA C 9 56.480 56.480 56.976 -0.496 19822 750 1 10 . 1 1 9 9 SER CB C 9 64.590 64.590 66.441 -1.851 19822 751 1 10 . 1 1 9 9 SER H H 9 7.320 7.320 7.742 -0.422 19822 752 1 10 . 1 1 10 10 ILE N N 10 117.550 117.550 121.265 -3.715 19822 753 1 10 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.015 0.235 19822 754 1 10 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.175 -0.995 19822 755 1 10 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.187 0.713 19822 756 1 10 . 1 1 10 10 ILE H H 10 7.810 7.810 8.264 -0.454 19822 757 1 10 . 1 1 11 11 CYS H H 11 9.920 9.920 8.792 1.128 19822 758 1 10 . 1 1 12 12 SER HA H 12 4.560 4.560 4.736 -0.176 19822 759 1 10 . 1 1 12 12 SER CA C 12 56.610 56.610 57.212 -0.602 19822 760 1 10 . 1 1 12 12 SER CB C 12 65.750 65.750 65.934 -0.184 19822 761 1 10 . 1 1 13 13 LEU N N 13 121.930 121.930 123.894 -1.964 19822 762 1 10 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.835 -0.045 19822 763 1 10 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.961 0.519 19822 764 1 10 . 1 1 13 13 LEU CB C 13 41.170 41.170 41.175 -0.005 19822 765 1 10 . 1 1 13 13 LEU H H 13 8.650 8.650 8.528 0.122 19822 766 1 10 . 1 1 14 14 TYR N N 14 115.930 115.930 116.068 -0.138 19822 767 1 10 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.119 0.131 19822 768 1 10 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.297 -1.257 19822 769 1 10 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.543 1.187 19822 770 1 10 . 1 1 14 14 TYR H H 14 7.600 7.600 6.966 0.634 19822 771 1 10 . 1 1 15 15 GLN N N 15 118.260 118.260 116.989 1.271 19822 772 1 10 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.983 -0.113 19822 773 1 10 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.648 -0.177 19822 774 1 10 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.123 1.157 19822 775 1 10 . 1 1 15 15 GLN H H 15 7.430 7.430 7.842 -0.412 19822 776 1 10 . 1 1 16 16 LEU N N 16 119.850 119.850 119.662 0.188 19822 777 1 10 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822 778 1 10 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.659 0.291 19822 779 1 10 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.940 0.040 19822 780 1 10 . 1 1 16 16 LEU H H 16 7.870 7.870 8.061 -0.191 19822 781 1 10 . 1 1 17 17 GLU N N 17 116.160 116.160 120.999 -4.839 19822 782 1 10 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.008 0.102 19822 783 1 10 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.182 -0.982 19822 784 1 10 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.230 0.080 19822 785 1 10 . 1 1 17 17 GLU H H 17 8.050 8.050 8.753 -0.703 19822 786 1 10 . 1 1 18 18 ASN N N 18 116.120 116.120 118.433 -2.313 19822 787 1 10 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822 788 1 10 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.708 -0.948 19822 789 1 10 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.016 0.555 19822 790 1 10 . 1 1 18 18 ASN H H 18 7.250 7.250 8.225 -0.975 19822 791 1 10 . 1 1 19 19 TYR N N 19 117.010 117.010 115.852 1.158 19822 792 1 10 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.593 -0.263 19822 793 1 10 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.981 2.079 19822 794 1 10 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.904 0.706 19822 795 1 10 . 1 1 19 19 TYR H H 19 7.950 7.950 7.179 0.771 19822 796 1 10 . 1 1 20 20 CYS N N 20 116.970 116.970 121.245 -4.275 19822 797 1 10 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.379 0.681 19822 798 1 10 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.067 -5.827 19822 799 1 10 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.612 10.878 19822 800 1 10 . 1 1 20 20 CYS H H 20 7.400 7.400 8.358 -0.958 19822 801 1 11 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.616 0.204 19822 802 1 11 . 1 1 2 2 ILE CA C 2 63.430 63.430 62.732 0.698 19822 803 1 11 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.545 0.224 19822 804 1 11 . 1 1 2 2 ILE H H 2 7.080 7.080 7.795 -0.715 19822 805 1 11 . 1 1 3 3 VAL N N 3 122.980 122.980 119.797 3.183 19822 806 1 11 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.717 -0.177 19822 807 1 11 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.742 0.678 19822 808 1 11 . 1 1 3 3 VAL H H 3 8.190 8.190 7.813 0.377 19822 809 1 11 . 1 1 4 4 GLU N N 4 121.710 121.710 120.619 1.091 19822 810 1 11 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.967 0.073 19822 811 1 11 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.499 -0.499 19822 812 1 11 . 1 1 4 4 GLU H H 4 8.350 8.350 8.461 -0.111 19822 813 1 11 . 1 1 5 5 GLN N N 5 110.870 110.870 118.143 -7.273 19822 814 1 11 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.099 -0.109 19822 815 1 11 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.809 -0.469 19822 816 1 11 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.713 0.747 19822 817 1 11 . 1 1 5 5 GLN H H 5 8.260 8.260 7.877 0.383 19822 818 1 11 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.009 12.391 19822 819 1 11 . 1 1 7 7 CYS N N 7 118.590 118.590 119.730 -1.140 19822 820 1 11 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.369 0.471 19822 821 1 11 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.057 -5.087 19822 822 1 11 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.999 11.811 19822 823 1 11 . 1 1 7 7 CYS H H 7 8.160 8.160 8.978 -0.818 19822 824 1 11 . 1 1 8 8 THR HA H 8 3.980 3.980 4.210 -0.230 19822 825 1 11 . 1 1 8 8 THR CA C 8 64.480 64.480 65.331 -0.851 19822 826 1 11 . 1 1 8 8 THR CB C 8 68.600 68.600 69.192 -0.592 19822 827 1 11 . 1 1 8 8 THR H H 8 8.230 8.230 8.002 0.228 19822 828 1 11 . 1 1 9 9 SER HA H 9 4.706 4.706 4.691 0.015 19822 829 1 11 . 1 1 9 9 SER CA C 9 56.480 56.480 56.965 -0.485 19822 830 1 11 . 1 1 9 9 SER CB C 9 64.590 64.590 66.385 -1.795 19822 831 1 11 . 1 1 9 9 SER H H 9 7.320 7.320 7.680 -0.360 19822 832 1 11 . 1 1 10 10 ILE N N 10 117.550 117.550 121.112 -3.562 19822 833 1 11 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.037 0.213 19822 834 1 11 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.263 -1.083 19822 835 1 11 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.484 0.416 19822 836 1 11 . 1 1 10 10 ILE H H 10 7.810 7.810 8.252 -0.442 19822 837 1 11 . 1 1 11 11 CYS H H 11 9.920 9.920 8.716 1.204 19822 838 1 11 . 1 1 12 12 SER HA H 12 4.560 4.560 4.744 -0.184 19822 839 1 11 . 1 1 12 12 SER CA C 12 56.610 56.610 57.394 -0.784 19822 840 1 11 . 1 1 12 12 SER CB C 12 65.750 65.750 65.941 -0.191 19822 841 1 11 . 1 1 13 13 LEU N N 13 121.930 121.930 125.224 -3.294 19822 842 1 11 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.887 -0.097 19822 843 1 11 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.751 0.729 19822 844 1 11 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.533 0.637 19822 845 1 11 . 1 1 13 13 LEU H H 13 8.650 8.650 8.425 0.225 19822 846 1 11 . 1 1 14 14 TYR N N 14 115.930 115.930 116.191 -0.261 19822 847 1 11 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.017 0.233 19822 848 1 11 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.675 -1.635 19822 849 1 11 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.719 1.010 19822 850 1 11 . 1 1 14 14 TYR H H 14 7.600 7.600 7.145 0.455 19822 851 1 11 . 1 1 15 15 GLN N N 15 118.260 118.260 116.973 1.287 19822 852 1 11 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.982 -0.112 19822 853 1 11 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.646 -0.176 19822 854 1 11 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.113 1.167 19822 855 1 11 . 1 1 15 15 GLN H H 15 7.430 7.430 7.853 -0.423 19822 856 1 11 . 1 1 16 16 LEU N N 16 119.850 119.850 119.657 0.193 19822 857 1 11 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.339 -0.269 19822 858 1 11 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.655 0.295 19822 859 1 11 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.931 0.049 19822 860 1 11 . 1 1 16 16 LEU H H 16 7.870 7.870 8.061 -0.191 19822 861 1 11 . 1 1 17 17 GLU N N 17 116.160 116.160 121.006 -4.846 19822 862 1 11 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.008 0.102 19822 863 1 11 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.186 -0.986 19822 864 1 11 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.230 0.080 19822 865 1 11 . 1 1 17 17 GLU H H 17 8.050 8.050 8.752 -0.702 19822 866 1 11 . 1 1 18 18 ASN N N 18 116.120 116.120 118.435 -2.315 19822 867 1 11 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.312 0.098 19822 868 1 11 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.715 -0.955 19822 869 1 11 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.029 0.541 19822 870 1 11 . 1 1 18 18 ASN H H 18 7.250 7.250 8.228 -0.978 19822 871 1 11 . 1 1 19 19 TYR N N 19 117.010 117.010 115.117 1.893 19822 872 1 11 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.585 -0.255 19822 873 1 11 . 1 1 19 19 TYR CA C 19 59.060 59.060 57.271 1.789 19822 874 1 11 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.501 1.109 19822 875 1 11 . 1 1 19 19 TYR H H 19 7.950 7.950 7.199 0.751 19822 876 1 11 . 1 1 20 20 CYS N N 20 116.970 116.970 121.366 -4.396 19822 877 1 11 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.381 0.679 19822 878 1 11 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.006 -5.766 19822 879 1 11 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.578 10.912 19822 880 1 11 . 1 1 20 20 CYS H H 20 7.400 7.400 8.346 -0.946 19822 881 1 12 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.454 0.366 19822 882 1 12 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.430 0.000 19822 883 1 12 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.775 -0.005 19822 884 1 12 . 1 1 2 2 ILE H H 2 7.080 7.080 8.113 -1.033 19822 885 1 12 . 1 1 3 3 VAL N N 3 122.980 122.980 118.515 4.465 19822 886 1 12 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.587 -0.047 19822 887 1 12 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.750 0.670 19822 888 1 12 . 1 1 3 3 VAL H H 3 8.190 8.190 7.828 0.362 19822 889 1 12 . 1 1 4 4 GLU N N 4 121.710 121.710 120.812 0.898 19822 890 1 12 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.905 0.135 19822 891 1 12 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.309 -0.309 19822 892 1 12 . 1 1 4 4 GLU H H 4 8.350 8.350 7.870 0.480 19822 893 1 12 . 1 1 5 5 GLN N N 5 110.870 110.870 118.059 -7.189 19822 894 1 12 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.105 -0.115 19822 895 1 12 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.717 -0.377 19822 896 1 12 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.668 0.792 19822 897 1 12 . 1 1 5 5 GLN H H 5 8.260 8.260 7.856 0.404 19822 898 1 12 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.053 12.347 19822 899 1 12 . 1 1 7 7 CYS N N 7 118.590 118.590 120.157 -1.567 19822 900 1 12 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.336 0.504 19822 901 1 12 . 1 1 7 7 CYS CA C 7 56.970 56.970 61.723 -4.753 19822 902 1 12 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.073 11.737 19822 903 1 12 . 1 1 7 7 CYS H H 7 8.160 8.160 8.945 -0.785 19822 904 1 12 . 1 1 8 8 THR HA H 8 3.980 3.980 4.128 -0.148 19822 905 1 12 . 1 1 8 8 THR CA C 8 64.480 64.480 64.796 -0.316 19822 906 1 12 . 1 1 8 8 THR CB C 8 68.600 68.600 69.245 -0.645 19822 907 1 12 . 1 1 8 8 THR H H 8 8.230 8.230 7.877 0.353 19822 908 1 12 . 1 1 9 9 SER HA H 9 4.706 4.706 4.685 0.021 19822 909 1 12 . 1 1 9 9 SER CA C 9 56.480 56.480 57.097 -0.617 19822 910 1 12 . 1 1 9 9 SER CB C 9 64.590 64.590 66.431 -1.842 19822 911 1 12 . 1 1 9 9 SER H H 9 7.320 7.320 7.727 -0.407 19822 912 1 12 . 1 1 10 10 ILE N N 10 117.550 117.550 121.313 -3.763 19822 913 1 12 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.019 0.231 19822 914 1 12 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.177 -0.997 19822 915 1 12 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.218 0.682 19822 916 1 12 . 1 1 10 10 ILE H H 10 7.810 7.810 8.267 -0.457 19822 917 1 12 . 1 1 11 11 CYS H H 11 9.920 9.920 8.797 1.123 19822 918 1 12 . 1 1 12 12 SER HA H 12 4.560 4.560 4.736 -0.176 19822 919 1 12 . 1 1 12 12 SER CA C 12 56.610 56.610 56.813 -0.203 19822 920 1 12 . 1 1 12 12 SER CB C 12 65.750 65.750 65.729 0.021 19822 921 1 12 . 1 1 13 13 LEU N N 13 121.930 121.930 124.800 -2.870 19822 922 1 12 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.856 -0.066 19822 923 1 12 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.711 0.769 19822 924 1 12 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.757 0.413 19822 925 1 12 . 1 1 13 13 LEU H H 13 8.650 8.650 8.457 0.193 19822 926 1 12 . 1 1 14 14 TYR N N 14 115.930 115.930 115.589 0.341 19822 927 1 12 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.072 0.178 19822 928 1 12 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.266 -1.226 19822 929 1 12 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.644 1.086 19822 930 1 12 . 1 1 14 14 TYR H H 14 7.600 7.600 7.234 0.366 19822 931 1 12 . 1 1 15 15 GLN N N 15 118.260 118.260 117.139 1.121 19822 932 1 12 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.978 -0.108 19822 933 1 12 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.586 -0.116 19822 934 1 12 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.212 1.068 19822 935 1 12 . 1 1 15 15 GLN H H 15 7.430 7.430 7.798 -0.368 19822 936 1 12 . 1 1 16 16 LEU N N 16 119.850 119.850 119.695 0.155 19822 937 1 12 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822 938 1 12 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.670 0.280 19822 939 1 12 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.943 0.037 19822 940 1 12 . 1 1 16 16 LEU H H 16 7.870 7.870 8.057 -0.187 19822 941 1 12 . 1 1 17 17 GLU N N 17 116.160 116.160 121.006 -4.846 19822 942 1 12 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.003 0.107 19822 943 1 12 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.196 -0.996 19822 944 1 12 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.223 0.087 19822 945 1 12 . 1 1 17 17 GLU H H 17 8.050 8.050 8.767 -0.717 19822 946 1 12 . 1 1 18 18 ASN N N 18 116.120 116.120 118.429 -2.309 19822 947 1 12 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822 948 1 12 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.711 -0.951 19822 949 1 12 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.028 0.542 19822 950 1 12 . 1 1 18 18 ASN H H 18 7.250 7.250 8.231 -0.981 19822 951 1 12 . 1 1 19 19 TYR N N 19 117.010 117.010 115.816 1.194 19822 952 1 12 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.596 -0.266 19822 953 1 12 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.955 2.105 19822 954 1 12 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.886 0.724 19822 955 1 12 . 1 1 19 19 TYR H H 19 7.950 7.950 7.084 0.866 19822 956 1 12 . 1 1 20 20 CYS N N 20 116.970 116.970 121.538 -4.568 19822 957 1 12 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.385 0.675 19822 958 1 12 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.022 -5.782 19822 959 1 12 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.593 10.896 19822 960 1 12 . 1 1 20 20 CYS H H 20 7.400 7.400 8.352 -0.952 19822 961 1 13 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.596 0.224 19822 962 1 13 . 1 1 2 2 ILE CA C 2 63.430 63.430 62.921 0.509 19822 963 1 13 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.470 0.300 19822 964 1 13 . 1 1 2 2 ILE H H 2 7.080 7.080 7.807 -0.727 19822 965 1 13 . 1 1 3 3 VAL N N 3 122.980 122.980 119.639 3.341 19822 966 1 13 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.584 -0.044 19822 967 1 13 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.182 0.238 19822 968 1 13 . 1 1 3 3 VAL H H 3 8.190 8.190 7.780 0.410 19822 969 1 13 . 1 1 4 4 GLU N N 4 121.710 121.710 120.024 1.686 19822 970 1 13 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.887 0.153 19822 971 1 13 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.382 -0.382 19822 972 1 13 . 1 1 4 4 GLU H H 4 8.350 8.350 8.067 0.283 19822 973 1 13 . 1 1 5 5 GLN N N 5 110.870 110.870 117.997 -7.127 19822 974 1 13 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.110 -0.120 19822 975 1 13 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.735 -0.395 19822 976 1 13 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.697 0.763 19822 977 1 13 . 1 1 5 5 GLN H H 5 8.260 8.260 7.901 0.359 19822 978 1 13 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.047 12.353 19822 979 1 13 . 1 1 7 7 CYS N N 7 118.590 118.590 119.747 -1.157 19822 980 1 13 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.369 0.471 19822 981 1 13 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.004 -5.034 19822 982 1 13 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.004 11.806 19822 983 1 13 . 1 1 7 7 CYS H H 7 8.160 8.160 8.956 -0.796 19822 984 1 13 . 1 1 8 8 THR HA H 8 3.980 3.980 4.231 -0.251 19822 985 1 13 . 1 1 8 8 THR CA C 8 64.480 64.480 65.011 -0.531 19822 986 1 13 . 1 1 8 8 THR CB C 8 68.600 68.600 69.185 -0.585 19822 987 1 13 . 1 1 8 8 THR H H 8 8.230 8.230 7.843 0.387 19822 988 1 13 . 1 1 9 9 SER HA H 9 4.706 4.706 4.699 0.007 19822 989 1 13 . 1 1 9 9 SER CA C 9 56.480 56.480 57.064 -0.584 19822 990 1 13 . 1 1 9 9 SER CB C 9 64.590 64.590 66.642 -2.052 19822 991 1 13 . 1 1 9 9 SER H H 9 7.320 7.320 7.710 -0.390 19822 992 1 13 . 1 1 10 10 ILE N N 10 117.550 117.550 121.272 -3.722 19822 993 1 13 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.018 0.232 19822 994 1 13 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.224 -1.044 19822 995 1 13 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.278 0.622 19822 996 1 13 . 1 1 10 10 ILE H H 10 7.810 7.810 8.258 -0.448 19822 997 1 13 . 1 1 11 11 CYS H H 11 9.920 9.920 8.783 1.137 19822 998 1 13 . 1 1 12 12 SER HA H 12 4.560 4.560 4.728 -0.168 19822 999 1 13 . 1 1 12 12 SER CA C 12 56.610 56.610 56.991 -0.381 19822 1000 1 13 . 1 1 12 12 SER CB C 12 65.750 65.750 65.627 0.123 19822 1001 1 13 . 1 1 13 13 LEU N N 13 121.930 121.930 124.667 -2.737 19822 1002 1 13 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.857 -0.067 19822 1003 1 13 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.745 0.735 19822 1004 1 13 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.823 0.347 19822 1005 1 13 . 1 1 13 13 LEU H H 13 8.650 8.650 8.415 0.235 19822 1006 1 13 . 1 1 14 14 TYR N N 14 115.930 115.930 115.808 0.122 19822 1007 1 13 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.261 -0.011 19822 1008 1 13 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.101 -1.061 19822 1009 1 13 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.607 1.123 19822 1010 1 13 . 1 1 14 14 TYR H H 14 7.600 7.600 7.218 0.382 19822 1011 1 13 . 1 1 15 15 GLN N N 15 118.260 118.260 117.066 1.194 19822 1012 1 13 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.981 -0.111 19822 1013 1 13 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.605 -0.135 19822 1014 1 13 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.178 1.102 19822 1015 1 13 . 1 1 15 15 GLN H H 15 7.430 7.430 7.806 -0.376 19822 1016 1 13 . 1 1 16 16 LEU N N 16 119.850 119.850 119.691 0.159 19822 1017 1 13 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.339 -0.269 19822 1018 1 13 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.654 0.296 19822 1019 1 13 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.947 0.033 19822 1020 1 13 . 1 1 16 16 LEU H H 16 7.870 7.870 8.053 -0.183 19822 1021 1 13 . 1 1 17 17 GLU N N 17 116.160 116.160 121.000 -4.840 19822 1022 1 13 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.002 0.108 19822 1023 1 13 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.197 -0.997 19822 1024 1 13 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.223 0.087 19822 1025 1 13 . 1 1 17 17 GLU H H 17 8.050 8.050 8.765 -0.715 19822 1026 1 13 . 1 1 18 18 ASN N N 18 116.120 116.120 118.429 -2.309 19822 1027 1 13 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822 1028 1 13 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.706 -0.946 19822 1029 1 13 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.017 0.553 19822 1030 1 13 . 1 1 18 18 ASN H H 18 7.250 7.250 8.208 -0.958 19822 1031 1 13 . 1 1 19 19 TYR N N 19 117.010 117.010 115.818 1.192 19822 1032 1 13 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.594 -0.264 19822 1033 1 13 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.965 2.095 19822 1034 1 13 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.893 0.717 19822 1035 1 13 . 1 1 19 19 TYR H H 19 7.950 7.950 7.175 0.775 19822 1036 1 13 . 1 1 20 20 CYS N N 20 116.970 116.970 121.412 -4.442 19822 1037 1 13 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.385 0.675 19822 1038 1 13 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.038 -5.798 19822 1039 1 13 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.648 10.842 19822 1040 1 13 . 1 1 20 20 CYS H H 20 7.400 7.400 8.365 -0.965 19822 1041 1 14 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.468 0.352 19822 1042 1 14 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.502 -0.072 19822 1043 1 14 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.778 -0.007 19822 1044 1 14 . 1 1 2 2 ILE H H 2 7.080 7.080 8.158 -1.078 19822 1045 1 14 . 1 1 3 3 VAL N N 3 122.980 122.980 119.118 3.862 19822 1046 1 14 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.558 -0.018 19822 1047 1 14 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.234 0.186 19822 1048 1 14 . 1 1 3 3 VAL H H 3 8.190 8.190 7.757 0.433 19822 1049 1 14 . 1 1 4 4 GLU N N 4 121.710 121.710 120.316 1.394 19822 1050 1 14 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.877 0.163 19822 1051 1 14 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.339 -0.339 19822 1052 1 14 . 1 1 4 4 GLU H H 4 8.350 8.350 7.841 0.509 19822 1053 1 14 . 1 1 5 5 GLN N N 5 110.870 110.870 118.230 -7.360 19822 1054 1 14 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.090 -0.100 19822 1055 1 14 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.780 -0.440 19822 1056 1 14 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.663 0.797 19822 1057 1 14 . 1 1 5 5 GLN H H 5 8.260 8.260 7.877 0.384 19822 1058 1 14 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.005 12.395 19822 1059 1 14 . 1 1 7 7 CYS N N 7 118.590 118.590 119.521 -0.931 19822 1060 1 14 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.396 0.444 19822 1061 1 14 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.294 -5.324 19822 1062 1 14 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.777 12.033 19822 1063 1 14 . 1 1 7 7 CYS H H 7 8.160 8.160 9.065 -0.905 19822 1064 1 14 . 1 1 8 8 THR HA H 8 3.980 3.980 4.228 -0.248 19822 1065 1 14 . 1 1 8 8 THR CA C 8 64.480 64.480 65.124 -0.644 19822 1066 1 14 . 1 1 8 8 THR CB C 8 68.600 68.600 69.174 -0.574 19822 1067 1 14 . 1 1 8 8 THR H H 8 8.230 8.230 7.908 0.322 19822 1068 1 14 . 1 1 9 9 SER HA H 9 4.706 4.706 4.671 0.035 19822 1069 1 14 . 1 1 9 9 SER CA C 9 56.480 56.480 56.949 -0.469 19822 1070 1 14 . 1 1 9 9 SER CB C 9 64.590 64.590 66.440 -1.850 19822 1071 1 14 . 1 1 9 9 SER H H 9 7.320 7.320 7.710 -0.390 19822 1072 1 14 . 1 1 10 10 ILE N N 10 117.550 117.550 121.348 -3.798 19822 1073 1 14 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.024 0.226 19822 1074 1 14 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.136 -0.956 19822 1075 1 14 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.193 0.707 19822 1076 1 14 . 1 1 10 10 ILE H H 10 7.810 7.810 8.283 -0.473 19822 1077 1 14 . 1 1 11 11 CYS H H 11 9.920 9.920 8.793 1.127 19822 1078 1 14 . 1 1 12 12 SER HA H 12 4.560 4.560 4.751 -0.191 19822 1079 1 14 . 1 1 12 12 SER CA C 12 56.610 56.610 56.827 -0.217 19822 1080 1 14 . 1 1 12 12 SER CB C 12 65.750 65.750 65.760 -0.010 19822 1081 1 14 . 1 1 13 13 LEU N N 13 121.930 121.930 123.882 -1.952 19822 1082 1 14 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.830 -0.040 19822 1083 1 14 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.911 0.569 19822 1084 1 14 . 1 1 13 13 LEU CB C 13 41.170 41.170 41.214 -0.044 19822 1085 1 14 . 1 1 13 13 LEU H H 13 8.650 8.650 8.492 0.158 19822 1086 1 14 . 1 1 14 14 TYR N N 14 115.930 115.930 115.970 -0.040 19822 1087 1 14 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.121 0.129 19822 1088 1 14 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.277 -1.237 19822 1089 1 14 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.543 1.187 19822 1090 1 14 . 1 1 14 14 TYR H H 14 7.600 7.600 6.976 0.624 19822 1091 1 14 . 1 1 15 15 GLN N N 15 118.260 118.260 117.025 1.235 19822 1092 1 14 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.982 -0.112 19822 1093 1 14 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.621 -0.151 19822 1094 1 14 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.150 1.130 19822 1095 1 14 . 1 1 15 15 GLN H H 15 7.430 7.430 7.819 -0.389 19822 1096 1 14 . 1 1 16 16 LEU N N 16 119.850 119.850 119.688 0.162 19822 1097 1 14 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822 1098 1 14 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.666 0.284 19822 1099 1 14 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.937 0.043 19822 1100 1 14 . 1 1 16 16 LEU H H 16 7.870 7.870 8.063 -0.193 19822 1101 1 14 . 1 1 17 17 GLU N N 17 116.160 116.160 120.986 -4.826 19822 1102 1 14 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.007 0.103 19822 1103 1 14 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.186 -0.986 19822 1104 1 14 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.229 0.081 19822 1105 1 14 . 1 1 17 17 GLU H H 17 8.050 8.050 8.754 -0.704 19822 1106 1 14 . 1 1 18 18 ASN N N 18 116.120 116.120 118.440 -2.320 19822 1107 1 14 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.313 0.097 19822 1108 1 14 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.708 -0.948 19822 1109 1 14 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.013 0.557 19822 1110 1 14 . 1 1 18 18 ASN H H 18 7.250 7.250 8.215 -0.965 19822 1111 1 14 . 1 1 19 19 TYR N N 19 117.010 117.010 115.846 1.164 19822 1112 1 14 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.590 -0.260 19822 1113 1 14 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.994 2.066 19822 1114 1 14 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.894 0.716 19822 1115 1 14 . 1 1 19 19 TYR H H 19 7.950 7.950 7.177 0.773 19822 1116 1 14 . 1 1 20 20 CYS N N 20 116.970 116.970 121.406 -4.436 19822 1117 1 14 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.377 0.683 19822 1118 1 14 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.053 -5.813 19822 1119 1 14 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.588 10.902 19822 1120 1 14 . 1 1 20 20 CYS H H 20 7.400 7.400 8.328 -0.928 19822 1121 1 15 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.518 0.302 19822 1122 1 15 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.093 0.337 19822 1123 1 15 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.843 -0.073 19822 1124 1 15 . 1 1 2 2 ILE H H 2 7.080 7.080 8.145 -1.065 19822 1125 1 15 . 1 1 3 3 VAL N N 3 122.980 122.980 118.860 4.120 19822 1126 1 15 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.600 -0.060 19822 1127 1 15 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.787 0.633 19822 1128 1 15 . 1 1 3 3 VAL H H 3 8.190 8.190 7.868 0.322 19822 1129 1 15 . 1 1 4 4 GLU N N 4 121.710 121.710 120.694 1.016 19822 1130 1 15 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.927 0.113 19822 1131 1 15 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.379 -0.379 19822 1132 1 15 . 1 1 4 4 GLU H H 4 8.350 8.350 7.950 0.400 19822 1133 1 15 . 1 1 5 5 GLN N N 5 110.870 110.870 118.037 -7.167 19822 1134 1 15 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.110 -0.120 19822 1135 1 15 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.739 -0.399 19822 1136 1 15 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.696 0.764 19822 1137 1 15 . 1 1 5 5 GLN H H 5 8.260 8.260 7.862 0.398 19822 1138 1 15 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.080 12.320 19822 1139 1 15 . 1 1 7 7 CYS N N 7 118.590 118.590 120.201 -1.611 19822 1140 1 15 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.402 0.438 19822 1141 1 15 . 1 1 7 7 CYS CA C 7 56.970 56.970 61.572 -4.602 19822 1142 1 15 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.159 11.651 19822 1143 1 15 . 1 1 7 7 CYS H H 7 8.160 8.160 8.772 -0.612 19822 1144 1 15 . 1 1 8 8 THR HA H 8 3.980 3.980 4.175 -0.195 19822 1145 1 15 . 1 1 8 8 THR CA C 8 64.480 64.480 64.624 -0.144 19822 1146 1 15 . 1 1 8 8 THR CB C 8 68.600 68.600 69.316 -0.716 19822 1147 1 15 . 1 1 8 8 THR H H 8 8.230 8.230 7.963 0.267 19822 1148 1 15 . 1 1 9 9 SER HA H 9 4.706 4.706 4.723 -0.017 19822 1149 1 15 . 1 1 9 9 SER CA C 9 56.480 56.480 56.823 -0.343 19822 1150 1 15 . 1 1 9 9 SER CB C 9 64.590 64.590 66.017 -1.427 19822 1151 1 15 . 1 1 9 9 SER H H 9 7.320 7.320 7.824 -0.504 19822 1152 1 15 . 1 1 10 10 ILE N N 10 117.550 117.550 121.318 -3.768 19822 1153 1 15 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.038 0.212 19822 1154 1 15 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.119 -0.939 19822 1155 1 15 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.162 0.738 19822 1156 1 15 . 1 1 10 10 ILE H H 10 7.810 7.810 8.313 -0.503 19822 1157 1 15 . 1 1 11 11 CYS H H 11 9.920 9.920 8.820 1.100 19822 1158 1 15 . 1 1 12 12 SER HA H 12 4.560 4.560 4.704 -0.144 19822 1159 1 15 . 1 1 12 12 SER CA C 12 56.610 56.610 56.964 -0.354 19822 1160 1 15 . 1 1 12 12 SER CB C 12 65.750 65.750 65.107 0.643 19822 1161 1 15 . 1 1 13 13 LEU N N 13 121.930 121.930 125.027 -3.097 19822 1162 1 15 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.901 -0.111 19822 1163 1 15 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.981 0.499 19822 1164 1 15 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.685 0.485 19822 1165 1 15 . 1 1 13 13 LEU H H 13 8.650 8.650 8.290 0.360 19822 1166 1 15 . 1 1 14 14 TYR N N 14 115.930 115.930 116.139 -0.209 19822 1167 1 15 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.017 0.233 19822 1168 1 15 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.675 -1.635 19822 1169 1 15 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.738 0.992 19822 1170 1 15 . 1 1 14 14 TYR H H 14 7.600 7.600 7.168 0.432 19822 1171 1 15 . 1 1 15 15 GLN N N 15 118.260 118.260 116.991 1.269 19822 1172 1 15 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.982 -0.112 19822 1173 1 15 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.635 -0.165 19822 1174 1 15 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.131 1.149 19822 1175 1 15 . 1 1 15 15 GLN H H 15 7.430 7.430 7.837 -0.407 19822 1176 1 15 . 1 1 16 16 LEU N N 16 119.850 119.850 119.698 0.152 19822 1177 1 15 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.336 -0.266 19822 1178 1 15 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.664 0.286 19822 1179 1 15 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.938 0.042 19822 1180 1 15 . 1 1 16 16 LEU H H 16 7.870 7.870 8.060 -0.190 19822 1181 1 15 . 1 1 17 17 GLU N N 17 116.160 116.160 120.974 -4.814 19822 1182 1 15 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.002 0.108 19822 1183 1 15 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.193 -0.993 19822 1184 1 15 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.220 0.090 19822 1185 1 15 . 1 1 17 17 GLU H H 17 8.050 8.050 8.757 -0.707 19822 1186 1 15 . 1 1 18 18 ASN N N 18 116.120 116.120 118.426 -2.306 19822 1187 1 15 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.312 0.098 19822 1188 1 15 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.706 -0.946 19822 1189 1 15 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.020 0.550 19822 1190 1 15 . 1 1 18 18 ASN H H 18 7.250 7.250 8.203 -0.953 19822 1191 1 15 . 1 1 19 19 TYR N N 19 117.010 117.010 114.905 2.105 19822 1192 1 15 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.571 -0.241 19822 1193 1 15 . 1 1 19 19 TYR CA C 19 59.060 59.060 57.338 1.722 19822 1194 1 15 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.390 1.220 19822 1195 1 15 . 1 1 19 19 TYR H H 19 7.950 7.950 7.215 0.735 19822 1196 1 15 . 1 1 20 20 CYS N N 20 116.970 116.970 121.473 -4.503 19822 1197 1 15 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.374 0.686 19822 1198 1 15 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.028 -5.788 19822 1199 1 15 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.625 10.865 19822 1200 1 15 . 1 1 20 20 CYS H H 20 7.400 7.400 8.309 -0.909 19822 1201 1 16 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.489 0.331 19822 1202 1 16 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.092 0.339 19822 1203 1 16 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.811 -0.041 19822 1204 1 16 . 1 1 2 2 ILE H H 2 7.080 7.080 8.191 -1.111 19822 1205 1 16 . 1 1 3 3 VAL N N 3 122.980 122.980 118.728 4.252 19822 1206 1 16 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.654 -0.114 19822 1207 1 16 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.865 0.555 19822 1208 1 16 . 1 1 3 3 VAL H H 3 8.190 8.190 7.785 0.405 19822 1209 1 16 . 1 1 4 4 GLU N N 4 121.710 121.710 121.156 0.554 19822 1210 1 16 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.919 0.121 19822 1211 1 16 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.319 -0.319 19822 1212 1 16 . 1 1 4 4 GLU H H 4 8.350 8.350 7.867 0.483 19822 1213 1 16 . 1 1 5 5 GLN N N 5 110.870 110.870 118.101 -7.231 19822 1214 1 16 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.111 -0.121 19822 1215 1 16 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.744 -0.404 19822 1216 1 16 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.658 0.802 19822 1217 1 16 . 1 1 5 5 GLN H H 5 8.260 8.260 7.907 0.353 19822 1218 1 16 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.003 12.397 19822 1219 1 16 . 1 1 7 7 CYS N N 7 118.590 118.590 119.760 -1.170 19822 1220 1 16 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.365 0.475 19822 1221 1 16 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.059 -5.089 19822 1222 1 16 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.997 11.813 19822 1223 1 16 . 1 1 7 7 CYS H H 7 8.160 8.160 8.968 -0.808 19822 1224 1 16 . 1 1 8 8 THR HA H 8 3.980 3.980 4.188 -0.208 19822 1225 1 16 . 1 1 8 8 THR CA C 8 64.480 64.480 65.380 -0.900 19822 1226 1 16 . 1 1 8 8 THR CB C 8 68.600 68.600 69.207 -0.607 19822 1227 1 16 . 1 1 8 8 THR H H 8 8.230 8.230 7.982 0.248 19822 1228 1 16 . 1 1 9 9 SER HA H 9 4.706 4.706 4.679 0.027 19822 1229 1 16 . 1 1 9 9 SER CA C 9 56.480 56.480 57.123 -0.643 19822 1230 1 16 . 1 1 9 9 SER CB C 9 64.590 64.590 66.470 -1.880 19822 1231 1 16 . 1 1 9 9 SER H H 9 7.320 7.320 7.679 -0.359 19822 1232 1 16 . 1 1 10 10 ILE N N 10 117.550 117.550 121.106 -3.556 19822 1233 1 16 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.042 0.208 19822 1234 1 16 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.241 -1.061 19822 1235 1 16 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.506 0.394 19822 1236 1 16 . 1 1 10 10 ILE H H 10 7.810 7.810 8.247 -0.437 19822 1237 1 16 . 1 1 11 11 CYS H H 11 9.920 9.920 8.687 1.233 19822 1238 1 16 . 1 1 12 12 SER HA H 12 4.560 4.560 4.725 -0.165 19822 1239 1 16 . 1 1 12 12 SER CA C 12 56.610 56.610 57.253 -0.643 19822 1240 1 16 . 1 1 12 12 SER CB C 12 65.750 65.750 65.424 0.326 19822 1241 1 16 . 1 1 13 13 LEU N N 13 121.930 121.930 125.193 -3.263 19822 1242 1 16 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.905 -0.115 19822 1243 1 16 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.941 0.539 19822 1244 1 16 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.604 0.566 19822 1245 1 16 . 1 1 13 13 LEU H H 13 8.650 8.650 8.324 0.326 19822 1246 1 16 . 1 1 14 14 TYR N N 14 115.930 115.930 115.793 0.137 19822 1247 1 16 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.079 0.171 19822 1248 1 16 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.241 -1.201 19822 1249 1 16 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.603 1.127 19822 1250 1 16 . 1 1 14 14 TYR H H 14 7.600 7.600 7.183 0.417 19822 1251 1 16 . 1 1 15 15 GLN N N 15 118.260 118.260 117.038 1.222 19822 1252 1 16 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.985 -0.115 19822 1253 1 16 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.613 -0.143 19822 1254 1 16 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.167 1.113 19822 1255 1 16 . 1 1 15 15 GLN H H 15 7.430 7.430 7.825 -0.395 19822 1256 1 16 . 1 1 16 16 LEU N N 16 119.850 119.850 119.702 0.148 19822 1257 1 16 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.337 -0.267 19822 1258 1 16 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.668 0.282 19822 1259 1 16 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.942 0.038 19822 1260 1 16 . 1 1 16 16 LEU H H 16 7.870 7.870 8.158 -0.288 19822 1261 1 16 . 1 1 17 17 GLU N N 17 116.160 116.160 120.989 -4.829 19822 1262 1 16 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.001 0.109 19822 1263 1 16 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.201 -1.001 19822 1264 1 16 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.217 0.093 19822 1265 1 16 . 1 1 17 17 GLU H H 17 8.050 8.050 8.757 -0.707 19822 1266 1 16 . 1 1 18 18 ASN N N 18 116.120 116.120 118.424 -2.304 19822 1267 1 16 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822 1268 1 16 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.712 -0.952 19822 1269 1 16 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.018 0.552 19822 1270 1 16 . 1 1 18 18 ASN H H 18 7.250 7.250 8.188 -0.938 19822 1271 1 16 . 1 1 19 19 TYR N N 19 117.010 117.010 115.873 1.137 19822 1272 1 16 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.592 -0.262 19822 1273 1 16 . 1 1 19 19 TYR CA C 19 59.060 59.060 57.010 2.050 19822 1274 1 16 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.904 0.706 19822 1275 1 16 . 1 1 19 19 TYR H H 19 7.950 7.950 7.185 0.765 19822 1276 1 16 . 1 1 20 20 CYS N N 20 116.970 116.970 121.426 -4.456 19822 1277 1 16 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.368 0.692 19822 1278 1 16 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.096 -5.856 19822 1279 1 16 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.560 10.930 19822 1280 1 16 . 1 1 20 20 CYS H H 20 7.400 7.400 8.308 -0.908 19822 1281 1 17 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.505 0.315 19822 1282 1 17 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.090 0.340 19822 1283 1 17 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.806 -0.036 19822 1284 1 17 . 1 1 2 2 ILE H H 2 7.080 7.080 8.166 -1.086 19822 1285 1 17 . 1 1 3 3 VAL N N 3 122.980 122.980 118.504 4.476 19822 1286 1 17 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.473 0.067 19822 1287 1 17 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.306 0.114 19822 1288 1 17 . 1 1 3 3 VAL H H 3 8.190 8.190 7.840 0.350 19822 1289 1 17 . 1 1 4 4 GLU N N 4 121.710 121.710 120.394 1.316 19822 1290 1 17 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.884 0.156 19822 1291 1 17 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.336 -0.336 19822 1292 1 17 . 1 1 4 4 GLU H H 4 8.350 8.350 7.864 0.486 19822 1293 1 17 . 1 1 5 5 GLN N N 5 110.870 110.870 118.027 -7.157 19822 1294 1 17 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.107 -0.117 19822 1295 1 17 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.730 -0.390 19822 1296 1 17 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.680 0.780 19822 1297 1 17 . 1 1 5 5 GLN H H 5 8.260 8.260 7.869 0.391 19822 1298 1 17 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.059 12.341 19822 1299 1 17 . 1 1 7 7 CYS N N 7 118.590 118.590 119.733 -1.143 19822 1300 1 17 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.371 0.469 19822 1301 1 17 . 1 1 7 7 CYS CA C 7 56.970 56.970 61.996 -5.026 19822 1302 1 17 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.008 11.802 19822 1303 1 17 . 1 1 7 7 CYS H H 7 8.160 8.160 8.957 -0.797 19822 1304 1 17 . 1 1 8 8 THR HA H 8 3.980 3.980 4.243 -0.263 19822 1305 1 17 . 1 1 8 8 THR CA C 8 64.480 64.480 64.929 -0.449 19822 1306 1 17 . 1 1 8 8 THR CB C 8 68.600 68.600 69.170 -0.570 19822 1307 1 17 . 1 1 8 8 THR H H 8 8.230 8.230 7.821 0.409 19822 1308 1 17 . 1 1 9 9 SER HA H 9 4.706 4.706 4.726 -0.020 19822 1309 1 17 . 1 1 9 9 SER CA C 9 56.480 56.480 57.144 -0.664 19822 1310 1 17 . 1 1 9 9 SER CB C 9 64.590 64.590 66.326 -1.736 19822 1311 1 17 . 1 1 9 9 SER H H 9 7.320 7.320 7.808 -0.488 19822 1312 1 17 . 1 1 10 10 ILE N N 10 117.550 117.550 121.222 -3.672 19822 1313 1 17 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.005 0.245 19822 1314 1 17 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.198 -1.018 19822 1315 1 17 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.094 0.805 19822 1316 1 17 . 1 1 10 10 ILE H H 10 7.810 7.810 8.328 -0.518 19822 1317 1 17 . 1 1 11 11 CYS H H 11 9.920 9.920 8.774 1.146 19822 1318 1 17 . 1 1 12 12 SER HA H 12 4.560 4.560 4.678 -0.118 19822 1319 1 17 . 1 1 12 12 SER CA C 12 56.610 56.610 57.024 -0.414 19822 1320 1 17 . 1 1 12 12 SER CB C 12 65.750 65.750 65.048 0.702 19822 1321 1 17 . 1 1 13 13 LEU N N 13 121.930 121.930 123.924 -1.994 19822 1322 1 17 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.854 -0.064 19822 1323 1 17 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.986 0.493 19822 1324 1 17 . 1 1 13 13 LEU CB C 13 41.170 41.170 41.276 -0.106 19822 1325 1 17 . 1 1 13 13 LEU H H 13 8.650 8.650 8.416 0.234 19822 1326 1 17 . 1 1 14 14 TYR N N 14 115.930 115.930 115.939 -0.009 19822 1327 1 17 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.073 0.177 19822 1328 1 17 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.498 -1.458 19822 1329 1 17 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.648 1.082 19822 1330 1 17 . 1 1 14 14 TYR H H 14 7.600 7.600 7.023 0.577 19822 1331 1 17 . 1 1 15 15 GLN N N 15 118.260 118.260 117.129 1.131 19822 1332 1 17 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.981 -0.111 19822 1333 1 17 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.591 -0.121 19822 1334 1 17 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.212 1.068 19822 1335 1 17 . 1 1 15 15 GLN H H 15 7.430 7.430 7.796 -0.366 19822 1336 1 17 . 1 1 16 16 LEU N N 16 119.850 119.850 119.681 0.169 19822 1337 1 17 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.339 -0.269 19822 1338 1 17 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.660 0.291 19822 1339 1 17 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.945 0.035 19822 1340 1 17 . 1 1 16 16 LEU H H 16 7.870 7.870 8.058 -0.188 19822 1341 1 17 . 1 1 17 17 GLU N N 17 116.160 116.160 120.999 -4.839 19822 1342 1 17 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.001 0.109 19822 1343 1 17 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.199 -0.999 19822 1344 1 17 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.220 0.090 19822 1345 1 17 . 1 1 17 17 GLU H H 17 8.050 8.050 8.762 -0.712 19822 1346 1 17 . 1 1 18 18 ASN N N 18 116.120 116.120 118.438 -2.318 19822 1347 1 17 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822 1348 1 17 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.706 -0.946 19822 1349 1 17 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.016 0.554 19822 1350 1 17 . 1 1 18 18 ASN H H 18 7.250 7.250 8.208 -0.958 19822 1351 1 17 . 1 1 19 19 TYR N N 19 117.010 117.010 115.814 1.196 19822 1352 1 17 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.594 -0.264 19822 1353 1 17 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.977 2.083 19822 1354 1 17 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.892 0.718 19822 1355 1 17 . 1 1 19 19 TYR H H 19 7.950 7.950 7.184 0.766 19822 1356 1 17 . 1 1 20 20 CYS N N 20 116.970 116.970 121.418 -4.448 19822 1357 1 17 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.389 0.671 19822 1358 1 17 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.020 -5.780 19822 1359 1 17 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.659 10.831 19822 1360 1 17 . 1 1 20 20 CYS H H 20 7.400 7.400 8.364 -0.964 19822 1361 1 18 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.661 0.159 19822 1362 1 18 . 1 1 2 2 ILE CA C 2 63.430 63.430 62.660 0.770 19822 1363 1 18 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.589 0.181 19822 1364 1 18 . 1 1 2 2 ILE H H 2 7.080 7.080 7.781 -0.701 19822 1365 1 18 . 1 1 3 3 VAL N N 3 122.980 122.980 119.871 3.109 19822 1366 1 18 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.702 -0.162 19822 1367 1 18 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.735 0.685 19822 1368 1 18 . 1 1 3 3 VAL H H 3 8.190 8.190 7.842 0.348 19822 1369 1 18 . 1 1 4 4 GLU N N 4 121.710 121.710 120.500 1.210 19822 1370 1 18 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.967 0.073 19822 1371 1 18 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.483 -0.483 19822 1372 1 18 . 1 1 4 4 GLU H H 4 8.350 8.350 8.459 -0.109 19822 1373 1 18 . 1 1 5 5 GLN N N 5 110.870 110.870 118.072 -7.202 19822 1374 1 18 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.104 -0.114 19822 1375 1 18 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.786 -0.446 19822 1376 1 18 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.712 0.748 19822 1377 1 18 . 1 1 5 5 GLN H H 5 8.260 8.260 7.895 0.365 19822 1378 1 18 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.052 12.348 19822 1379 1 18 . 1 1 7 7 CYS N N 7 118.590 118.590 120.159 -1.569 19822 1380 1 18 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.340 0.500 19822 1381 1 18 . 1 1 7 7 CYS CA C 7 56.970 56.970 61.694 -4.724 19822 1382 1 18 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.080 11.730 19822 1383 1 18 . 1 1 7 7 CYS H H 7 8.160 8.160 8.927 -0.767 19822 1384 1 18 . 1 1 8 8 THR HA H 8 3.980 3.980 4.124 -0.144 19822 1385 1 18 . 1 1 8 8 THR CA C 8 64.480 64.480 64.847 -0.367 19822 1386 1 18 . 1 1 8 8 THR CB C 8 68.600 68.600 69.237 -0.637 19822 1387 1 18 . 1 1 8 8 THR H H 8 8.230 8.230 7.863 0.367 19822 1388 1 18 . 1 1 9 9 SER HA H 9 4.706 4.706 4.691 0.015 19822 1389 1 18 . 1 1 9 9 SER CA C 9 56.480 56.480 56.997 -0.517 19822 1390 1 18 . 1 1 9 9 SER CB C 9 64.590 64.590 66.405 -1.815 19822 1391 1 18 . 1 1 9 9 SER H H 9 7.320 7.320 7.731 -0.411 19822 1392 1 18 . 1 1 10 10 ILE N N 10 117.550 117.550 121.619 -4.069 19822 1393 1 18 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.044 0.206 19822 1394 1 18 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.076 -0.896 19822 1395 1 18 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.012 0.888 19822 1396 1 18 . 1 1 10 10 ILE H H 10 7.810 7.810 8.279 -0.469 19822 1397 1 18 . 1 1 11 11 CYS H H 11 9.920 9.920 8.833 1.087 19822 1398 1 18 . 1 1 12 12 SER HA H 12 4.560 4.560 4.670 -0.110 19822 1399 1 18 . 1 1 12 12 SER CA C 12 56.610 56.610 56.946 -0.336 19822 1400 1 18 . 1 1 12 12 SER CB C 12 65.750 65.750 65.216 0.534 19822 1401 1 18 . 1 1 13 13 LEU N N 13 121.930 121.930 125.035 -3.105 19822 1402 1 18 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.889 -0.099 19822 1403 1 18 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.982 0.498 19822 1404 1 18 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.628 0.542 19822 1405 1 18 . 1 1 13 13 LEU H H 13 8.650 8.650 8.318 0.332 19822 1406 1 18 . 1 1 14 14 TYR N N 14 115.930 115.930 115.676 0.254 19822 1407 1 18 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.118 0.132 19822 1408 1 18 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.021 -0.981 19822 1409 1 18 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.589 1.141 19822 1410 1 18 . 1 1 14 14 TYR H H 14 7.600 7.600 7.212 0.388 19822 1411 1 18 . 1 1 15 15 GLN N N 15 118.260 118.260 117.116 1.144 19822 1412 1 18 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.981 -0.111 19822 1413 1 18 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.595 -0.125 19822 1414 1 18 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.208 1.072 19822 1415 1 18 . 1 1 15 15 GLN H H 15 7.430 7.430 7.798 -0.368 19822 1416 1 18 . 1 1 16 16 LEU N N 16 119.850 119.850 119.657 0.193 19822 1417 1 18 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822 1418 1 18 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.649 0.301 19822 1419 1 18 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.949 0.031 19822 1420 1 18 . 1 1 16 16 LEU H H 16 7.870 7.870 8.064 -0.194 19822 1421 1 18 . 1 1 17 17 GLU N N 17 116.160 116.160 120.989 -4.829 19822 1422 1 18 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.000 0.110 19822 1423 1 18 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.197 -0.997 19822 1424 1 18 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.221 0.089 19822 1425 1 18 . 1 1 17 17 GLU H H 17 8.050 8.050 8.751 -0.701 19822 1426 1 18 . 1 1 18 18 ASN N N 18 116.120 116.120 118.438 -2.318 19822 1427 1 18 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822 1428 1 18 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.705 -0.945 19822 1429 1 18 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.009 0.561 19822 1430 1 18 . 1 1 18 18 ASN H H 18 7.250 7.250 8.192 -0.942 19822 1431 1 18 . 1 1 19 19 TYR N N 19 117.010 117.010 114.897 2.113 19822 1432 1 18 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.566 -0.236 19822 1433 1 18 . 1 1 19 19 TYR CA C 19 59.060 59.060 57.369 1.691 19822 1434 1 18 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.383 1.227 19822 1435 1 18 . 1 1 19 19 TYR H H 19 7.950 7.950 7.214 0.736 19822 1436 1 18 . 1 1 20 20 CYS N N 20 116.970 116.970 121.357 -4.387 19822 1437 1 18 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.383 0.677 19822 1438 1 18 . 1 1 20 20 CYS CA C 20 53.240 53.240 58.971 -5.731 19822 1439 1 18 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.667 10.823 19822 1440 1 18 . 1 1 20 20 CYS H H 20 7.400 7.400 8.332 -0.932 19822 1441 1 19 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.612 0.208 19822 1442 1 19 . 1 1 2 2 ILE CA C 2 63.430 63.430 62.727 0.703 19822 1443 1 19 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.546 0.224 19822 1444 1 19 . 1 1 2 2 ILE H H 2 7.080 7.080 7.792 -0.712 19822 1445 1 19 . 1 1 3 3 VAL N N 3 122.980 122.980 119.232 3.748 19822 1446 1 19 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.619 -0.079 19822 1447 1 19 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.799 0.621 19822 1448 1 19 . 1 1 3 3 VAL H H 3 8.190 8.190 7.862 0.328 19822 1449 1 19 . 1 1 4 4 GLU N N 4 121.710 121.710 120.488 1.222 19822 1450 1 19 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.933 0.107 19822 1451 1 19 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.450 -0.450 19822 1452 1 19 . 1 1 4 4 GLU H H 4 8.350 8.350 8.229 0.121 19822 1453 1 19 . 1 1 5 5 GLN N N 5 110.870 110.870 118.004 -7.134 19822 1454 1 19 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.110 -0.120 19822 1455 1 19 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.751 -0.410 19822 1456 1 19 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.711 0.749 19822 1457 1 19 . 1 1 5 5 GLN H H 5 8.260 8.260 7.883 0.377 19822 1458 1 19 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.062 12.338 19822 1459 1 19 . 1 1 7 7 CYS N N 7 118.590 118.590 119.749 -1.159 19822 1460 1 19 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.364 0.476 19822 1461 1 19 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.080 -5.110 19822 1462 1 19 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.987 11.823 19822 1463 1 19 . 1 1 7 7 CYS H H 7 8.160 8.160 8.986 -0.826 19822 1464 1 19 . 1 1 8 8 THR HA H 8 3.980 3.980 4.219 -0.239 19822 1465 1 19 . 1 1 8 8 THR CA C 8 64.480 64.480 65.297 -0.817 19822 1466 1 19 . 1 1 8 8 THR CB C 8 68.600 68.600 69.197 -0.597 19822 1467 1 19 . 1 1 8 8 THR H H 8 8.230 8.230 7.998 0.232 19822 1468 1 19 . 1 1 9 9 SER HA H 9 4.706 4.706 4.701 0.005 19822 1469 1 19 . 1 1 9 9 SER CA C 9 56.480 56.480 56.812 -0.332 19822 1470 1 19 . 1 1 9 9 SER CB C 9 64.590 64.590 66.225 -1.635 19822 1471 1 19 . 1 1 9 9 SER H H 9 7.320 7.320 7.733 -0.413 19822 1472 1 19 . 1 1 10 10 ILE N N 10 117.550 117.550 121.193 -3.643 19822 1473 1 19 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.017 0.233 19822 1474 1 19 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.229 -1.049 19822 1475 1 19 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.286 0.614 19822 1476 1 19 . 1 1 10 10 ILE H H 10 7.810 7.810 8.269 -0.459 19822 1477 1 19 . 1 1 11 11 CYS H H 11 9.920 9.920 8.777 1.143 19822 1478 1 19 . 1 1 12 12 SER HA H 12 4.560 4.560 4.739 -0.179 19822 1479 1 19 . 1 1 12 12 SER CA C 12 56.610 56.610 57.124 -0.514 19822 1480 1 19 . 1 1 12 12 SER CB C 12 65.750 65.750 65.571 0.179 19822 1481 1 19 . 1 1 13 13 LEU N N 13 121.930 121.930 124.677 -2.747 19822 1482 1 19 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.872 -0.082 19822 1483 1 19 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.748 0.732 19822 1484 1 19 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.846 0.324 19822 1485 1 19 . 1 1 13 13 LEU H H 13 8.650 8.650 8.359 0.291 19822 1486 1 19 . 1 1 14 14 TYR N N 14 115.930 115.930 116.285 -0.355 19822 1487 1 19 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.018 0.232 19822 1488 1 19 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.687 -1.647 19822 1489 1 19 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.705 1.025 19822 1490 1 19 . 1 1 14 14 TYR H H 14 7.600 7.600 7.144 0.456 19822 1491 1 19 . 1 1 15 15 GLN N N 15 118.260 118.260 116.939 1.321 19822 1492 1 19 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.984 -0.114 19822 1493 1 19 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.659 -0.189 19822 1494 1 19 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.093 1.187 19822 1495 1 19 . 1 1 15 15 GLN H H 15 7.430 7.430 7.860 -0.430 19822 1496 1 19 . 1 1 16 16 LEU N N 16 119.850 119.850 119.698 0.152 19822 1497 1 19 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.337 -0.267 19822 1498 1 19 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.668 0.282 19822 1499 1 19 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.939 0.041 19822 1500 1 19 . 1 1 16 16 LEU H H 16 7.870 7.870 8.063 -0.193 19822 1501 1 19 . 1 1 17 17 GLU N N 17 116.160 116.160 120.980 -4.820 19822 1502 1 19 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.002 0.108 19822 1503 1 19 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.194 -0.994 19822 1504 1 19 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.219 0.091 19822 1505 1 19 . 1 1 17 17 GLU H H 17 8.050 8.050 8.762 -0.712 19822 1506 1 19 . 1 1 18 18 ASN N N 18 116.120 116.120 118.424 -2.304 19822 1507 1 19 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.311 0.099 19822 1508 1 19 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.709 -0.949 19822 1509 1 19 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.023 0.547 19822 1510 1 19 . 1 1 18 18 ASN H H 18 7.250 7.250 8.205 -0.955 19822 1511 1 19 . 1 1 19 19 TYR N N 19 117.010 117.010 115.826 1.184 19822 1512 1 19 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.596 -0.266 19822 1513 1 19 . 1 1 19 19 TYR CA C 19 59.060 59.060 56.968 2.092 19822 1514 1 19 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.904 0.707 19822 1515 1 19 . 1 1 19 19 TYR H H 19 7.950 7.950 7.178 0.772 19822 1516 1 19 . 1 1 20 20 CYS N N 20 116.970 116.970 121.503 -4.533 19822 1517 1 19 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.372 0.688 19822 1518 1 19 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.107 -5.867 19822 1519 1 19 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.639 10.851 19822 1520 1 19 . 1 1 20 20 CYS H H 20 7.400 7.400 8.328 -0.928 19822 1521 1 20 . 1 1 2 2 ILE HA H 2 3.820 3.820 3.600 0.220 19822 1522 1 20 . 1 1 2 2 ILE CA C 2 63.430 63.430 62.808 0.622 19822 1523 1 20 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.528 0.242 19822 1524 1 20 . 1 1 2 2 ILE H H 2 7.080 7.080 7.783 -0.703 19822 1525 1 20 . 1 1 3 3 VAL N N 3 122.980 122.980 119.046 3.934 19822 1526 1 20 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.622 -0.082 19822 1527 1 20 . 1 1 3 3 VAL CB C 3 31.420 31.420 30.822 0.598 19822 1528 1 20 . 1 1 3 3 VAL H H 3 8.190 8.190 7.844 0.346 19822 1529 1 20 . 1 1 4 4 GLU N N 4 121.710 121.710 120.698 1.012 19822 1530 1 20 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.936 0.104 19822 1531 1 20 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.426 -0.426 19822 1532 1 20 . 1 1 4 4 GLU H H 4 8.350 8.350 8.109 0.241 19822 1533 1 20 . 1 1 5 5 GLN N N 5 110.870 110.870 117.909 -7.039 19822 1534 1 20 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.119 -0.129 19822 1535 1 20 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.702 -0.362 19822 1536 1 20 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.702 0.758 19822 1537 1 20 . 1 1 5 5 GLN H H 5 8.260 8.260 7.897 0.363 19822 1538 1 20 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.077 12.323 19822 1539 1 20 . 1 1 7 7 CYS N N 7 118.590 118.590 119.694 -1.104 19822 1540 1 20 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.374 0.466 19822 1541 1 20 . 1 1 7 7 CYS CA C 7 56.970 56.970 62.107 -5.137 19822 1542 1 20 . 1 1 7 7 CYS CB C 7 38.810 38.810 26.981 11.829 19822 1543 1 20 . 1 1 7 7 CYS H H 7 8.160 8.160 8.969 -0.809 19822 1544 1 20 . 1 1 8 8 THR HA H 8 3.980 3.980 4.211 -0.231 19822 1545 1 20 . 1 1 8 8 THR CA C 8 64.480 64.480 65.335 -0.855 19822 1546 1 20 . 1 1 8 8 THR CB C 8 68.600 68.600 69.165 -0.565 19822 1547 1 20 . 1 1 8 8 THR H H 8 8.230 8.230 7.981 0.249 19822 1548 1 20 . 1 1 9 9 SER HA H 9 4.706 4.706 4.682 0.024 19822 1549 1 20 . 1 1 9 9 SER CA C 9 56.480 56.480 57.085 -0.605 19822 1550 1 20 . 1 1 9 9 SER CB C 9 64.590 64.590 66.522 -1.932 19822 1551 1 20 . 1 1 9 9 SER H H 9 7.320 7.320 7.684 -0.364 19822 1552 1 20 . 1 1 10 10 ILE N N 10 117.550 117.550 121.156 -3.606 19822 1553 1 20 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.033 0.217 19822 1554 1 20 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.251 -1.071 19822 1555 1 20 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.441 0.459 19822 1556 1 20 . 1 1 10 10 ILE H H 10 7.810 7.810 8.247 -0.437 19822 1557 1 20 . 1 1 11 11 CYS H H 11 9.920 9.920 8.716 1.204 19822 1558 1 20 . 1 1 12 12 SER HA H 12 4.560 4.560 4.677 -0.117 19822 1559 1 20 . 1 1 12 12 SER CA C 12 56.610 56.610 56.957 -0.347 19822 1560 1 20 . 1 1 12 12 SER CB C 12 65.750 65.750 64.983 0.767 19822 1561 1 20 . 1 1 13 13 LEU N N 13 121.930 121.930 124.593 -2.663 19822 1562 1 20 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.875 -0.085 19822 1563 1 20 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.937 0.543 19822 1564 1 20 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.782 0.388 19822 1565 1 20 . 1 1 13 13 LEU H H 13 8.650 8.650 8.300 0.350 19822 1566 1 20 . 1 1 14 14 TYR N N 14 115.930 115.930 115.499 0.431 19822 1567 1 20 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.031 0.219 19822 1568 1 20 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.449 -1.409 19822 1569 1 20 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.712 1.018 19822 1570 1 20 . 1 1 14 14 TYR H H 14 7.600 7.600 7.237 0.363 19822 1571 1 20 . 1 1 15 15 GLN N N 15 118.260 118.260 117.141 1.119 19822 1572 1 20 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.979 -0.109 19822 1573 1 20 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.589 -0.119 19822 1574 1 20 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.218 1.062 19822 1575 1 20 . 1 1 15 15 GLN H H 15 7.430 7.430 7.799 -0.369 19822 1576 1 20 . 1 1 16 16 LEU N N 16 119.850 119.850 119.708 0.142 19822 1577 1 20 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.336 -0.266 19822 1578 1 20 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.674 0.276 19822 1579 1 20 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.947 0.033 19822 1580 1 20 . 1 1 16 16 LEU H H 16 7.870 7.870 8.049 -0.179 19822 1581 1 20 . 1 1 17 17 GLU N N 17 116.160 116.160 120.986 -4.826 19822 1582 1 20 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.000 0.110 19822 1583 1 20 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.201 -1.001 19822 1584 1 20 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.218 0.092 19822 1585 1 20 . 1 1 17 17 GLU H H 17 8.050 8.050 8.777 -0.727 19822 1586 1 20 . 1 1 18 18 ASN N N 18 116.120 116.120 118.443 -2.323 19822 1587 1 20 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.312 0.098 19822 1588 1 20 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.706 -0.946 19822 1589 1 20 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.012 0.558 19822 1590 1 20 . 1 1 18 18 ASN H H 18 7.250 7.250 8.217 -0.967 19822 1591 1 20 . 1 1 19 19 TYR N N 19 117.010 117.010 115.845 1.165 19822 1592 1 20 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.593 -0.263 19822 1593 1 20 . 1 1 19 19 TYR CA C 19 59.060 59.060 57.013 2.047 19822 1594 1 20 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.916 0.694 19822 1595 1 20 . 1 1 19 19 TYR H H 19 7.950 7.950 7.186 0.764 19822 1596 1 20 . 1 1 20 20 CYS N N 20 116.970 116.970 121.453 -4.483 19822 1597 1 20 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.378 0.682 19822 1598 1 20 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.021 -5.781 19822 1599 1 20 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.637 10.852 19822 1600 1 20 . 1 1 20 20 CYS H H 20 7.400 7.400 8.318 -0.918 19822 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 13 3.382 1.473 3.168 19822 2 1 1 "Average Difference" HA 17 0.265 -0.061 0.266 19822 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19822 4 1 1 "Average Difference" CA 15 2.096 0.878 1.970 19822 5 1 1 "Average Difference" CB 18 4.809 -2.140 4.432 19822 6 1 1 "Average Difference" HN 17 0.653 0.107 0.664 19822 7 1 2 "Average Difference" N 13 3.309 1.417 3.112 19822 8 1 2 "Average Difference" HA 17 0.254 -0.048 0.257 19822 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19822 10 1 2 "Average Difference" CA 15 2.114 0.807 2.023 19822 11 1 2 "Average Difference" CB 18 4.793 -2.111 4.427 19822 12 1 2 "Average Difference" HN 17 0.610 0.113 0.618 19822 13 1 3 "Average Difference" N 13 3.312 1.346 3.150 19822 14 1 3 "Average Difference" HA 17 0.260 -0.058 0.262 19822 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19822 16 1 3 "Average Difference" CA 15 2.102 0.859 1.986 19822 17 1 3 "Average Difference" CB 18 4.797 -2.069 4.453 19822 18 1 3 "Average Difference" HN 17 0.667 0.096 0.680 19822 19 1 4 "Average Difference" N 13 3.332 1.323 3.183 19822 20 1 4 "Average Difference" HA 17 0.263 -0.065 0.263 19822 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19822 22 1 4 "Average Difference" CA 15 2.219 1.013 2.043 19822 23 1 4 "Average Difference" CB 18 4.850 -2.120 4.489 19822 24 1 4 "Average Difference" HN 17 0.680 0.117 0.691 19822 25 1 5 "Average Difference" N 13 3.331 1.328 3.179 19822 26 1 5 "Average Difference" HA 17 0.266 -0.066 0.266 19822 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19822 28 1 5 "Average Difference" CA 15 2.167 1.036 1.971 19822 29 1 5 "Average Difference" CB 18 4.838 -2.123 4.473 19822 30 1 5 "Average Difference" HN 17 0.680 0.084 0.695 19822 31 1 6 "Average Difference" N 13 3.267 1.452 3.046 19822 32 1 6 "Average Difference" HA 17 0.252 -0.040 0.256 19822 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19822 34 1 6 "Average Difference" CA 15 2.178 0.897 2.054 19822 35 1 6 "Average Difference" CB 18 4.825 -2.187 4.425 19822 36 1 6 "Average Difference" HN 17 0.639 0.118 0.647 19822 37 1 7 "Average Difference" N 13 3.313 1.428 3.112 19822 38 1 7 "Average Difference" HA 17 0.265 -0.046 0.269 19822 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19822 40 1 7 "Average Difference" CA 15 2.159 0.910 2.027 19822 41 1 7 "Average Difference" CB 18 4.829 -2.137 4.456 19822 42 1 7 "Average Difference" HN 17 0.671 0.095 0.684 19822 43 1 8 "Average Difference" N 13 3.351 1.464 3.138 19822 44 1 8 "Average Difference" HA 17 0.262 -0.061 0.263 19822 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19822 46 1 8 "Average Difference" CA 15 2.106 0.886 1.977 19822 47 1 8 "Average Difference" CB 18 4.815 -2.170 4.423 19822 48 1 8 "Average Difference" HN 17 0.662 0.099 0.675 19822 49 1 9 "Average Difference" N 13 3.215 1.501 2.959 19822 50 1 9 "Average Difference" HA 17 0.259 -0.045 0.263 19822 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19822 52 1 9 "Average Difference" CA 15 2.190 0.937 2.048 19822 53 1 9 "Average Difference" CB 18 4.827 -2.126 4.459 19822 54 1 9 "Average Difference" HN 17 0.667 0.144 0.671 19822 55 1 10 "Average Difference" N 13 3.295 1.356 3.125 19822 56 1 10 "Average Difference" HA 17 0.264 -0.056 0.266 19822 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19822 58 1 10 "Average Difference" CA 15 2.178 0.981 2.013 19822 59 1 10 "Average Difference" CB 18 4.829 -2.111 4.469 19822 60 1 10 "Average Difference" HN 17 0.668 0.104 0.680 19822 61 1 11 "Average Difference" N 13 3.312 1.495 3.075 19822 62 1 11 "Average Difference" HA 17 0.259 -0.039 0.264 19822 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19822 64 1 11 "Average Difference" CA 15 2.175 0.984 2.008 19822 65 1 11 "Average Difference" CB 18 4.839 -2.150 4.461 19822 66 1 11 "Average Difference" HN 17 0.627 0.121 0.634 19822 67 1 12 "Average Difference" N 13 3.394 1.457 3.191 19822 68 1 12 "Average Difference" HA 17 0.265 -0.066 0.265 19822 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19822 70 1 12 "Average Difference" CA 15 2.101 0.879 1.975 19822 71 1 12 "Average Difference" CB 18 4.817 -2.128 4.447 19822 72 1 12 "Average Difference" HN 17 0.662 0.102 0.674 19822 73 1 13 "Average Difference" N 13 3.268 1.434 3.057 19822 74 1 13 "Average Difference" HA 17 0.254 -0.039 0.258 19822 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19822 76 1 13 "Average Difference" CA 15 2.149 0.885 2.027 19822 77 1 13 "Average Difference" CB 18 4.823 -2.111 4.463 19822 78 1 13 "Average Difference" HN 17 0.626 0.093 0.638 19822 79 1 14 "Average Difference" N 13 3.298 1.373 3.121 19822 80 1 14 "Average Difference" HA 17 0.262 -0.058 0.263 19822 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19822 82 1 14 "Average Difference" CA 15 2.191 0.956 2.041 19822 83 1 14 "Average Difference" CB 18 4.864 -2.106 4.511 19822 84 1 14 "Average Difference" HN 17 0.678 0.100 0.691 19822 85 1 15 "Average Difference" N 13 3.404 1.447 3.207 19822 86 1 15 "Average Difference" HA 17 0.256 -0.054 0.258 19822 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19822 88 1 15 "Average Difference" CA 15 2.065 0.898 1.925 19822 89 1 15 "Average Difference" CB 18 4.799 -2.197 4.390 19822 90 1 15 "Average Difference" HN 17 0.642 0.108 0.653 19822 91 1 16 "Average Difference" N 13 3.359 1.489 3.133 19822 92 1 16 "Average Difference" HA 17 0.264 -0.051 0.267 19822 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19822 94 1 16 "Average Difference" CA 15 2.178 0.979 2.014 19822 95 1 16 "Average Difference" CB 18 4.839 -2.143 4.465 19822 96 1 16 "Average Difference" HN 17 0.669 0.101 0.682 19822 97 1 17 "Average Difference" N 13 3.317 1.330 3.163 19822 98 1 17 "Average Difference" HA 17 0.262 -0.064 0.262 19822 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19822 100 1 17 "Average Difference" CA 15 2.152 0.937 2.006 19822 101 1 17 "Average Difference" CB 18 4.815 -2.119 4.449 19822 102 1 17 "Average Difference" HN 17 0.678 0.101 0.691 19822 103 1 18 "Average Difference" N 13 3.345 1.497 3.114 19822 104 1 18 "Average Difference" HA 17 0.248 -0.043 0.251 19822 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19822 106 1 18 "Average Difference" CA 15 2.055 0.854 1.935 19822 107 1 18 "Average Difference" CB 18 4.818 -2.204 4.409 19822 108 1 18 "Average Difference" HN 17 0.608 0.116 0.615 19822 109 1 19 "Average Difference" N 13 3.293 1.467 3.069 19822 110 1 19 "Average Difference" HA 17 0.261 -0.048 0.264 19822 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19822 112 1 19 "Average Difference" CA 15 2.205 0.938 2.066 19822 113 1 19 "Average Difference" CB 18 4.818 -2.147 4.438 19822 114 1 19 "Average Difference" HN 17 0.622 0.112 0.631 19822 115 1 20 "Average Difference" N 13 3.269 1.403 3.074 19822 116 1 20 "Average Difference" HA 17 0.255 -0.050 0.258 19822 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19822 118 1 20 "Average Difference" CA 15 2.178 0.943 2.032 19822 119 1 20 "Average Difference" CB 18 4.823 -2.153 4.441 19822 120 1 20 "Average Difference" HN 17 0.623 0.094 0.635 19822 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 19822 _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 ILE HA H 2 3.820 3.820 3.537 0.283 19822 2 1 . 1 1 2 2 ILE CA C 2 63.430 63.430 63.037 0.393 19822 3 1 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.720 0.050 19822 4 1 . 1 1 2 2 ILE H H 2 7.080 7.080 8.035 -0.955 19822 5 1 . 1 1 3 3 VAL N N 3 122.980 122.980 119.097 3.883 19822 6 1 . 1 1 3 3 VAL HA H 3 3.540 3.540 3.588 -0.048 19822 7 1 . 1 1 3 3 VAL CB C 3 31.420 31.420 31.001 0.419 19822 8 1 . 1 1 3 3 VAL H H 3 8.190 8.190 7.810 0.380 19822 9 1 . 1 1 4 4 GLU N N 4 121.710 121.710 120.493 1.217 19822 10 1 . 1 1 4 4 GLU HA H 4 4.040 4.040 3.910 0.130 19822 11 1 . 1 1 4 4 GLU CB C 4 29.000 29.000 29.375 -0.375 19822 12 1 . 1 1 4 4 GLU H H 4 8.350 8.350 8.033 0.317 19822 13 1 . 1 1 5 5 GLN N N 5 110.870 110.870 118.063 -7.193 19822 14 1 . 1 1 5 5 GLN HA H 5 3.990 3.990 4.106 -0.116 19822 15 1 . 1 1 5 5 GLN CA C 5 58.340 58.340 58.747 -0.407 19822 16 1 . 1 1 5 5 GLN CB C 5 29.460 29.460 28.688 0.772 19822 17 1 . 1 1 5 5 GLN H H 5 8.260 8.260 7.884 0.376 19822 18 1 . 1 1 6 6 CYS CB C 6 39.400 39.400 27.046 12.354 19822 19 1 . 1 1 7 7 CYS N N 7 118.590 118.590 119.841 -1.251 19822 20 1 . 1 1 7 7 CYS HA H 7 4.840 4.840 4.373 0.467 19822 21 1 . 1 1 7 7 CYS CA C 7 56.970 56.970 61.955 -4.985 19822 22 1 . 1 1 7 7 CYS CB C 7 38.810 38.810 27.009 11.801 19822 23 1 . 1 1 7 7 CYS H H 7 8.160 8.160 8.951 -0.791 19822 24 1 . 1 1 8 8 THR HA H 8 3.980 3.980 4.206 -0.226 19822 25 1 . 1 1 8 8 THR CA C 8 64.480 64.480 65.028 -0.548 19822 26 1 . 1 1 8 8 THR CB C 8 68.600 68.600 69.209 -0.609 19822 27 1 . 1 1 8 8 THR H H 8 8.230 8.230 7.907 0.323 19822 28 1 . 1 1 9 9 SER HA H 9 4.706 4.706 4.696 0.010 19822 29 1 . 1 1 9 9 SER CA C 9 56.480 56.480 57.004 -0.524 19822 30 1 . 1 1 9 9 SER CB C 9 64.590 64.590 66.324 -1.734 19822 31 1 . 1 1 9 9 SER H H 9 7.320 7.320 7.746 -0.426 19822 32 1 . 1 1 10 10 ILE N N 10 117.550 117.550 121.263 -3.713 19822 33 1 . 1 1 10 10 ILE HA H 10 4.250 4.250 4.022 0.228 19822 34 1 . 1 1 10 10 ILE CA C 10 60.180 60.180 61.185 -1.005 19822 35 1 . 1 1 10 10 ILE CB C 10 38.900 38.900 38.216 0.684 19822 36 1 . 1 1 10 10 ILE H H 10 7.810 7.810 8.286 -0.476 19822 37 1 . 1 1 11 11 CYS H H 11 9.920 9.920 8.774 1.146 19822 38 1 . 1 1 12 12 SER HA H 12 4.560 4.560 4.717 -0.157 19822 39 1 . 1 1 12 12 SER CA C 12 56.610 56.610 57.061 -0.451 19822 40 1 . 1 1 12 12 SER CB C 12 65.750 65.750 65.490 0.260 19822 41 1 . 1 1 13 13 LEU N N 13 121.930 121.930 124.558 -2.628 19822 42 1 . 1 1 13 13 LEU HA H 13 3.790 3.790 3.866 -0.076 19822 43 1 . 1 1 13 13 LEU CA C 13 58.480 58.480 57.871 0.609 19822 44 1 . 1 1 13 13 LEU CB C 13 41.170 41.170 40.882 0.288 19822 45 1 . 1 1 13 13 LEU H H 13 8.650 8.650 8.398 0.253 19822 46 1 . 1 1 14 14 TYR N N 14 115.930 115.930 115.887 0.043 19822 47 1 . 1 1 14 14 TYR HA H 14 4.250 4.250 4.095 0.155 19822 48 1 . 1 1 14 14 TYR CA C 14 60.040 60.040 61.359 -1.319 19822 49 1 . 1 1 14 14 TYR CB C 14 37.730 37.730 36.637 1.092 19822 50 1 . 1 1 14 14 TYR H H 14 7.600 7.600 7.135 0.464 19822 51 1 . 1 1 15 15 GLN N N 15 118.260 118.260 117.049 1.211 19822 52 1 . 1 1 15 15 GLN HA H 15 3.870 3.870 3.981 -0.112 19822 53 1 . 1 1 15 15 GLN CA C 15 58.470 58.470 58.616 -0.145 19822 54 1 . 1 1 15 15 GLN CB C 15 29.280 29.280 28.164 1.116 19822 55 1 . 1 1 15 15 GLN H H 15 7.430 7.430 7.820 -0.390 19822 56 1 . 1 1 16 16 LEU N N 16 119.850 119.850 119.687 0.163 19822 57 1 . 1 1 16 16 LEU HA H 16 4.070 4.070 4.338 -0.268 19822 58 1 . 1 1 16 16 LEU CA C 16 57.950 57.950 57.661 0.289 19822 59 1 . 1 1 16 16 LEU CB C 16 41.980 41.980 41.941 0.039 19822 60 1 . 1 1 16 16 LEU H H 16 7.870 7.870 8.064 -0.194 19822 61 1 . 1 1 17 17 GLU N N 17 116.160 116.160 120.990 -4.830 19822 62 1 . 1 1 17 17 GLU HA H 17 4.110 4.110 4.003 0.107 19822 63 1 . 1 1 17 17 GLU CA C 17 58.200 58.200 59.193 -0.993 19822 64 1 . 1 1 17 17 GLU CB C 17 29.310 29.310 29.224 0.086 19822 65 1 . 1 1 17 17 GLU H H 17 8.050 8.050 8.759 -0.709 19822 66 1 . 1 1 18 18 ASN N N 18 116.120 116.120 118.434 -2.314 19822 67 1 . 1 1 18 18 ASN HA H 18 4.410 4.410 4.312 0.098 19822 68 1 . 1 1 18 18 ASN CA C 18 54.760 54.760 55.709 -0.949 19822 69 1 . 1 1 18 18 ASN CB C 18 38.570 38.570 38.018 0.552 19822 70 1 . 1 1 18 18 ASN H H 18 7.250 7.250 8.210 -0.960 19822 71 1 . 1 1 19 19 TYR N N 19 117.010 117.010 115.667 1.343 19822 72 1 . 1 1 19 19 TYR HA H 19 4.330 4.330 4.590 -0.260 19822 73 1 . 1 1 19 19 TYR CA C 19 59.060 59.060 57.053 2.007 19822 74 1 . 1 1 19 19 TYR CB C 19 38.610 38.610 37.806 0.804 19822 75 1 . 1 1 19 19 TYR H H 19 7.950 7.950 7.180 0.770 19822 76 1 . 1 1 20 20 CYS N N 20 116.970 116.970 121.415 -4.445 19822 77 1 . 1 1 20 20 CYS HA H 20 5.060 5.060 4.378 0.682 19822 78 1 . 1 1 20 20 CYS CA C 20 53.240 53.240 59.055 -5.815 19822 79 1 . 1 1 20 20 CYS CB C 20 35.490 35.490 24.616 10.874 19822 80 1 . 1 1 20 20 CYS H H 20 7.400 7.400 8.337 -0.937 19822 stop_ save_