data_19102 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19102 _Entry.PDB_ID 2M61 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 19102 _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 CYS HA H 2 4.730 4.730 4.915 -0.185 19102 2 1 1 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.325 -1.895 19102 3 1 1 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.930 14.160 19102 4 1 1 . 1 1 2 2 CYS H H 2 8.810 8.810 8.644 0.166 19102 5 1 1 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.465 -0.065 19102 6 1 1 . 1 1 3 3 ARG CA C 3 55.150 55.150 57.708 -2.558 19102 7 1 1 . 1 1 3 3 ARG CB C 3 30.390 30.390 29.744 0.645 19102 8 1 1 . 1 1 3 3 ARG H H 3 8.930 8.930 8.651 0.279 19102 9 1 1 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.464 -0.144 19102 10 1 1 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.148 -2.338 19102 11 1 1 . 1 1 4 4 LEU CB C 4 41.620 41.620 40.995 0.625 19102 12 1 1 . 1 1 4 4 LEU H H 4 8.000 8.000 7.971 0.029 19102 13 1 1 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.335 -0.167 19102 14 1 1 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.698 -3.618 19102 15 1 1 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.361 -0.381 19102 16 1 1 . 1 1 5 5 ALA H H 5 7.990 7.990 8.534 -0.544 19102 17 1 1 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102 18 1 1 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.690 -5.489 19102 19 1 1 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.091 14.759 19102 20 1 1 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 21 1 1 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.968 -2.648 19102 22 1 1 . 1 1 7 7 GLY H H 7 8.350 8.350 7.687 0.663 19102 23 1 1 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.308 -0.318 19102 24 1 1 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.356 2.054 19102 25 1 1 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.777 -0.057 19102 26 1 1 . 1 1 8 8 LEU H H 8 8.980 8.980 7.780 1.200 19102 27 1 1 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.484 -2.144 19102 28 1 1 . 1 1 9 9 GLY H H 9 8.380 8.380 7.884 0.496 19102 29 1 1 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 30 1 1 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.975 0.695 19102 31 1 1 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.258 9.982 19102 32 1 1 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102 33 1 2 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.864 -0.134 19102 34 1 2 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.539 -2.109 19102 35 1 2 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.940 14.150 19102 36 1 2 . 1 1 2 2 CYS H H 2 8.810 8.810 8.591 0.219 19102 37 1 2 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.439 -0.039 19102 38 1 2 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.135 -2.985 19102 39 1 2 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.291 0.099 19102 40 1 2 . 1 1 3 3 ARG H H 3 8.930 8.930 8.675 0.255 19102 41 1 2 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.427 -0.107 19102 42 1 2 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.349 -2.539 19102 43 1 2 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.317 0.303 19102 44 1 2 . 1 1 4 4 LEU H H 4 8.000 8.000 7.989 0.011 19102 45 1 2 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.336 -0.168 19102 46 1 2 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.702 -3.622 19102 47 1 2 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.366 -0.386 19102 48 1 2 . 1 1 5 5 ALA H H 5 7.990 7.990 8.532 -0.542 19102 49 1 2 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102 50 1 2 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.689 -5.489 19102 51 1 2 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.089 14.761 19102 52 1 2 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 53 1 2 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.923 -2.603 19102 54 1 2 . 1 1 7 7 GLY H H 7 8.350 8.350 7.681 0.669 19102 55 1 2 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.314 -0.324 19102 56 1 2 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.293 2.117 19102 57 1 2 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.633 0.087 19102 58 1 2 . 1 1 8 8 LEU H H 8 8.980 8.980 7.781 1.199 19102 59 1 2 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.497 -2.157 19102 60 1 2 . 1 1 9 9 GLY H H 9 8.380 8.380 7.905 0.475 19102 61 1 2 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 62 1 2 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.979 0.691 19102 63 1 2 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.261 9.979 19102 64 1 2 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 65 1 3 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.856 -0.126 19102 66 1 3 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.188 -1.758 19102 67 1 3 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.995 14.095 19102 68 1 3 . 1 1 2 2 CYS H H 2 8.810 8.810 8.604 0.206 19102 69 1 3 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.419 -0.019 19102 70 1 3 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.102 -2.952 19102 71 1 3 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.643 -0.253 19102 72 1 3 . 1 1 3 3 ARG H H 3 8.930 8.930 8.673 0.257 19102 73 1 3 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.448 -0.128 19102 74 1 3 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.413 -2.603 19102 75 1 3 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.175 0.445 19102 76 1 3 . 1 1 4 4 LEU H H 4 8.000 8.000 7.973 0.027 19102 77 1 3 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.336 -0.168 19102 78 1 3 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.696 -3.616 19102 79 1 3 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.368 -0.388 19102 80 1 3 . 1 1 5 5 ALA H H 5 7.990 7.990 8.533 -0.543 19102 81 1 3 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102 82 1 3 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.684 -5.484 19102 83 1 3 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.091 14.759 19102 84 1 3 . 1 1 6 6 CYS H H 6 8.180 8.180 8.380 -0.200 19102 85 1 3 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.878 -2.558 19102 86 1 3 . 1 1 7 7 GLY H H 7 8.350 8.350 7.680 0.670 19102 87 1 3 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.323 -0.333 19102 88 1 3 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.207 2.203 19102 89 1 3 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.419 0.301 19102 90 1 3 . 1 1 8 8 LEU H H 8 8.980 8.980 7.785 1.195 19102 91 1 3 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.546 -2.206 19102 92 1 3 . 1 1 9 9 GLY H H 9 8.380 8.380 7.923 0.457 19102 93 1 3 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 94 1 3 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.977 0.693 19102 95 1 3 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.261 9.979 19102 96 1 3 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102 97 1 4 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.852 -0.122 19102 98 1 4 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.146 -1.716 19102 99 1 4 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.070 14.020 19102 100 1 4 . 1 1 2 2 CYS H H 2 8.810 8.810 8.593 0.217 19102 101 1 4 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.435 -0.035 19102 102 1 4 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.099 -2.949 19102 103 1 4 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.523 -0.133 19102 104 1 4 . 1 1 3 3 ARG H H 3 8.930 8.930 8.668 0.262 19102 105 1 4 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.454 -0.134 19102 106 1 4 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.383 -2.573 19102 107 1 4 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.150 0.470 19102 108 1 4 . 1 1 4 4 LEU H H 4 8.000 8.000 7.975 0.025 19102 109 1 4 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.337 -0.169 19102 110 1 4 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.702 -3.622 19102 111 1 4 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.358 -0.378 19102 112 1 4 . 1 1 5 5 ALA H H 5 7.990 7.990 8.533 -0.543 19102 113 1 4 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102 114 1 4 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.688 -5.488 19102 115 1 4 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.088 14.762 19102 116 1 4 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 117 1 4 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.039 -2.719 19102 118 1 4 . 1 1 7 7 GLY H H 7 8.350 8.350 7.709 0.641 19102 119 1 4 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.323 -0.333 19102 120 1 4 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.183 2.227 19102 121 1 4 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.593 0.127 19102 122 1 4 . 1 1 8 8 LEU H H 8 8.980 8.980 7.775 1.205 19102 123 1 4 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.505 -2.165 19102 124 1 4 . 1 1 9 9 GLY H H 9 8.380 8.380 7.866 0.514 19102 125 1 4 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 126 1 4 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.692 19102 127 1 4 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.263 9.977 19102 128 1 4 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 129 1 5 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.852 -0.122 19102 130 1 5 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.131 -1.701 19102 131 1 5 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.086 14.004 19102 132 1 5 . 1 1 2 2 CYS H H 2 8.810 8.810 8.594 0.216 19102 133 1 5 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.439 -0.039 19102 134 1 5 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.032 -2.882 19102 135 1 5 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.404 -0.014 19102 136 1 5 . 1 1 3 3 ARG H H 3 8.930 8.930 8.665 0.265 19102 137 1 5 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.460 -0.140 19102 138 1 5 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.309 -2.499 19102 139 1 5 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.084 0.536 19102 140 1 5 . 1 1 4 4 LEU H H 4 8.000 8.000 7.973 0.027 19102 141 1 5 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.336 -0.168 19102 142 1 5 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.698 -3.618 19102 143 1 5 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.365 -0.385 19102 144 1 5 . 1 1 5 5 ALA H H 5 7.990 7.990 8.534 -0.544 19102 145 1 5 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102 146 1 5 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.684 -5.484 19102 147 1 5 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.091 14.759 19102 148 1 5 . 1 1 6 6 CYS H H 6 8.180 8.180 8.380 -0.200 19102 149 1 5 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.881 -2.561 19102 150 1 5 . 1 1 7 7 GLY H H 7 8.350 8.350 7.675 0.675 19102 151 1 5 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.312 -0.322 19102 152 1 5 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.232 2.178 19102 153 1 5 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.618 0.102 19102 154 1 5 . 1 1 8 8 LEU H H 8 8.980 8.980 7.792 1.188 19102 155 1 5 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.533 -2.193 19102 156 1 5 . 1 1 9 9 GLY H H 9 8.380 8.380 7.906 0.474 19102 157 1 5 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 158 1 5 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.976 0.694 19102 159 1 5 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.260 9.980 19102 160 1 5 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 161 1 6 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.864 -0.134 19102 162 1 6 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.535 -2.105 19102 163 1 6 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.935 14.155 19102 164 1 6 . 1 1 2 2 CYS H H 2 8.810 8.810 8.596 0.214 19102 165 1 6 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.432 -0.032 19102 166 1 6 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.166 -3.016 19102 167 1 6 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.330 0.060 19102 168 1 6 . 1 1 3 3 ARG H H 3 8.930 8.930 8.676 0.254 19102 169 1 6 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.427 -0.107 19102 170 1 6 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.347 -2.537 19102 171 1 6 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.324 0.296 19102 172 1 6 . 1 1 4 4 LEU H H 4 8.000 8.000 7.989 0.011 19102 173 1 6 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.336 -0.168 19102 174 1 6 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.701 -3.621 19102 175 1 6 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.366 -0.386 19102 176 1 6 . 1 1 5 5 ALA H H 5 7.990 7.990 8.531 -0.541 19102 177 1 6 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102 178 1 6 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.693 -5.493 19102 179 1 6 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.088 14.762 19102 180 1 6 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 181 1 6 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.045 -2.725 19102 182 1 6 . 1 1 7 7 GLY H H 7 8.350 8.350 7.711 0.639 19102 183 1 6 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.325 -0.335 19102 184 1 6 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.136 2.274 19102 185 1 6 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.572 0.148 19102 186 1 6 . 1 1 8 8 LEU H H 8 8.980 8.980 7.776 1.204 19102 187 1 6 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.512 -2.172 19102 188 1 6 . 1 1 9 9 GLY H H 9 8.380 8.380 7.862 0.518 19102 189 1 6 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 190 1 6 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.692 19102 191 1 6 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.259 9.982 19102 192 1 6 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 193 1 7 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.858 -0.128 19102 194 1 7 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.210 -1.780 19102 195 1 7 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.978 14.112 19102 196 1 7 . 1 1 2 2 CYS H H 2 8.810 8.810 8.607 0.203 19102 197 1 7 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.416 -0.016 19102 198 1 7 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.089 -2.939 19102 199 1 7 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.659 -0.269 19102 200 1 7 . 1 1 3 3 ARG H H 3 8.930 8.930 8.674 0.256 19102 201 1 7 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.444 -0.123 19102 202 1 7 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.448 -2.638 19102 203 1 7 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.229 0.391 19102 204 1 7 . 1 1 4 4 LEU H H 4 8.000 8.000 7.977 0.023 19102 205 1 7 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.335 -0.167 19102 206 1 7 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.693 -3.613 19102 207 1 7 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.365 -0.385 19102 208 1 7 . 1 1 5 5 ALA H H 5 7.990 7.990 8.536 -0.546 19102 209 1 7 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102 210 1 7 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.683 -5.483 19102 211 1 7 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.091 14.759 19102 212 1 7 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 213 1 7 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.872 -2.552 19102 214 1 7 . 1 1 7 7 GLY H H 7 8.350 8.350 7.672 0.678 19102 215 1 7 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.309 -0.319 19102 216 1 7 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.224 2.186 19102 217 1 7 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.660 0.061 19102 218 1 7 . 1 1 8 8 LEU H H 8 8.980 8.980 7.795 1.185 19102 219 1 7 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.543 -2.203 19102 220 1 7 . 1 1 9 9 GLY H H 9 8.380 8.380 7.901 0.479 19102 221 1 7 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 222 1 7 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.692 19102 223 1 7 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.262 9.978 19102 224 1 7 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 225 1 8 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.852 -0.122 19102 226 1 8 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.137 -1.707 19102 227 1 8 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.084 14.006 19102 228 1 8 . 1 1 2 2 CYS H H 2 8.810 8.810 8.593 0.217 19102 229 1 8 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.439 -0.039 19102 230 1 8 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.057 -2.908 19102 231 1 8 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.438 -0.048 19102 232 1 8 . 1 1 3 3 ARG H H 3 8.930 8.930 8.664 0.266 19102 233 1 8 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.458 -0.138 19102 234 1 8 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.324 -2.514 19102 235 1 8 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.087 0.533 19102 236 1 8 . 1 1 4 4 LEU H H 4 8.000 8.000 7.972 0.028 19102 237 1 8 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.336 -0.168 19102 238 1 8 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.706 -3.626 19102 239 1 8 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.360 -0.380 19102 240 1 8 . 1 1 5 5 ALA H H 5 7.990 7.990 8.532 -0.542 19102 241 1 8 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102 242 1 8 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.694 -5.494 19102 243 1 8 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.087 14.763 19102 244 1 8 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 245 1 8 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.029 -2.708 19102 246 1 8 . 1 1 7 7 GLY H H 7 8.350 8.350 7.705 0.645 19102 247 1 8 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.322 -0.332 19102 248 1 8 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.267 2.143 19102 249 1 8 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.592 0.128 19102 250 1 8 . 1 1 8 8 LEU H H 8 8.980 8.980 7.773 1.207 19102 251 1 8 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.493 -2.154 19102 252 1 8 . 1 1 9 9 GLY H H 9 8.380 8.380 7.876 0.504 19102 253 1 8 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 254 1 8 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.692 19102 255 1 8 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.262 9.978 19102 256 1 8 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102 257 1 9 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.865 -0.135 19102 258 1 9 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.535 -2.105 19102 259 1 9 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.932 14.158 19102 260 1 9 . 1 1 2 2 CYS H H 2 8.810 8.810 8.597 0.213 19102 261 1 9 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.431 -0.031 19102 262 1 9 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.167 -3.018 19102 263 1 9 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.355 0.035 19102 264 1 9 . 1 1 3 3 ARG H H 3 8.930 8.930 8.676 0.254 19102 265 1 9 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.424 -0.104 19102 266 1 9 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.402 -2.592 19102 267 1 9 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.377 0.243 19102 268 1 9 . 1 1 4 4 LEU H H 4 8.000 8.000 7.994 0.006 19102 269 1 9 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.336 -0.168 19102 270 1 9 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.696 -3.615 19102 271 1 9 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.360 -0.381 19102 272 1 9 . 1 1 5 5 ALA H H 5 7.990 7.990 8.535 -0.545 19102 273 1 9 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102 274 1 9 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.689 -5.489 19102 275 1 9 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.091 14.759 19102 276 1 9 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 277 1 9 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.879 -2.559 19102 278 1 9 . 1 1 7 7 GLY H H 7 8.350 8.350 7.674 0.676 19102 279 1 9 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.311 -0.321 19102 280 1 9 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.233 2.177 19102 281 1 9 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.648 0.072 19102 282 1 9 . 1 1 8 8 LEU H H 8 8.980 8.980 7.792 1.188 19102 283 1 9 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.533 -2.193 19102 284 1 9 . 1 1 9 9 GLY H H 9 8.380 8.380 7.904 0.476 19102 285 1 9 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 286 1 9 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.692 19102 287 1 9 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.260 9.980 19102 288 1 9 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102 289 1 10 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.852 -0.122 19102 290 1 10 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.144 -1.714 19102 291 1 10 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.041 14.050 19102 292 1 10 . 1 1 2 2 CYS H H 2 8.810 8.810 8.599 0.211 19102 293 1 10 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.428 -0.028 19102 294 1 10 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.079 -2.929 19102 295 1 10 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.538 -0.148 19102 296 1 10 . 1 1 3 3 ARG H H 3 8.930 8.930 8.668 0.262 19102 297 1 10 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.453 -0.133 19102 298 1 10 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.395 -2.586 19102 299 1 10 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.183 0.437 19102 300 1 10 . 1 1 4 4 LEU H H 4 8.000 8.000 7.975 0.025 19102 301 1 10 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.336 -0.168 19102 302 1 10 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.703 -3.623 19102 303 1 10 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.354 -0.374 19102 304 1 10 . 1 1 5 5 ALA H H 5 7.990 7.990 8.534 -0.544 19102 305 1 10 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102 306 1 10 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.688 -5.488 19102 307 1 10 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.087 14.763 19102 308 1 10 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 309 1 10 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.043 -2.723 19102 310 1 10 . 1 1 7 7 GLY H H 7 8.350 8.350 7.710 0.640 19102 311 1 10 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.325 -0.335 19102 312 1 10 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.165 2.245 19102 313 1 10 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.552 0.168 19102 314 1 10 . 1 1 8 8 LEU H H 8 8.980 8.980 7.775 1.205 19102 315 1 10 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.508 -2.167 19102 316 1 10 . 1 1 9 9 GLY H H 9 8.380 8.380 7.866 0.514 19102 317 1 10 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 318 1 10 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.977 0.693 19102 319 1 10 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.261 9.979 19102 320 1 10 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102 321 1 11 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.865 -0.135 19102 322 1 11 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.533 -2.103 19102 323 1 11 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.933 14.157 19102 324 1 11 . 1 1 2 2 CYS H H 2 8.810 8.810 8.598 0.212 19102 325 1 11 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.429 -0.029 19102 326 1 11 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.182 -3.032 19102 327 1 11 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.360 0.030 19102 328 1 11 . 1 1 3 3 ARG H H 3 8.930 8.930 8.676 0.254 19102 329 1 11 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.425 -0.105 19102 330 1 11 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.372 -2.562 19102 331 1 11 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.346 0.274 19102 332 1 11 . 1 1 4 4 LEU H H 4 8.000 8.000 7.991 0.009 19102 333 1 11 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.335 -0.167 19102 334 1 11 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.702 -3.622 19102 335 1 11 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.363 -0.383 19102 336 1 11 . 1 1 5 5 ALA H H 5 7.990 7.990 8.532 -0.542 19102 337 1 11 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102 338 1 11 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.697 -5.497 19102 339 1 11 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.089 14.761 19102 340 1 11 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 341 1 11 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.046 -2.726 19102 342 1 11 . 1 1 7 7 GLY H H 7 8.350 8.350 7.710 0.640 19102 343 1 11 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.324 -0.334 19102 344 1 11 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.146 2.264 19102 345 1 11 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.579 0.141 19102 346 1 11 . 1 1 8 8 LEU H H 8 8.980 8.980 7.777 1.203 19102 347 1 11 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.511 -2.171 19102 348 1 11 . 1 1 9 9 GLY H H 9 8.380 8.380 7.863 0.517 19102 349 1 11 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 350 1 11 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.977 0.693 19102 351 1 11 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.260 9.980 19102 352 1 11 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102 353 1 12 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.854 -0.124 19102 354 1 12 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.159 -1.729 19102 355 1 12 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.039 14.051 19102 356 1 12 . 1 1 2 2 CYS H H 2 8.810 8.810 8.596 0.214 19102 357 1 12 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.429 -0.029 19102 358 1 12 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.130 -2.980 19102 359 1 12 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.603 -0.213 19102 360 1 12 . 1 1 3 3 ARG H H 3 8.930 8.930 8.669 0.261 19102 361 1 12 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.453 -0.133 19102 362 1 12 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.384 -2.574 19102 363 1 12 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.119 0.501 19102 364 1 12 . 1 1 4 4 LEU H H 4 8.000 8.000 7.972 0.028 19102 365 1 12 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.335 -0.167 19102 366 1 12 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.702 -3.622 19102 367 1 12 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.365 -0.385 19102 368 1 12 . 1 1 5 5 ALA H H 5 7.990 7.990 8.532 -0.542 19102 369 1 12 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102 370 1 12 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.690 -5.490 19102 371 1 12 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.088 14.762 19102 372 1 12 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 373 1 12 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.038 -2.718 19102 374 1 12 . 1 1 7 7 GLY H H 7 8.350 8.350 7.706 0.644 19102 375 1 12 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.320 -0.330 19102 376 1 12 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.225 2.185 19102 377 1 12 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.623 0.097 19102 378 1 12 . 1 1 8 8 LEU H H 8 8.980 8.980 7.775 1.205 19102 379 1 12 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.498 -2.158 19102 380 1 12 . 1 1 9 9 GLY H H 9 8.380 8.380 7.868 0.512 19102 381 1 12 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 382 1 12 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.980 0.690 19102 383 1 12 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.263 9.977 19102 384 1 12 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 385 1 13 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.853 -0.123 19102 386 1 13 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.135 -1.705 19102 387 1 13 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.048 14.042 19102 388 1 13 . 1 1 2 2 CYS H H 2 8.810 8.810 8.600 0.210 19102 389 1 13 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.429 -0.029 19102 390 1 13 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.057 -2.907 19102 391 1 13 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.503 -0.113 19102 392 1 13 . 1 1 3 3 ARG H H 3 8.930 8.930 8.667 0.263 19102 393 1 13 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.453 -0.133 19102 394 1 13 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.378 -2.568 19102 395 1 13 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.169 0.451 19102 396 1 13 . 1 1 4 4 LEU H H 4 8.000 8.000 7.976 0.024 19102 397 1 13 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.336 -0.168 19102 398 1 13 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.698 -3.618 19102 399 1 13 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.357 -0.377 19102 400 1 13 . 1 1 5 5 ALA H H 5 7.990 7.990 8.535 -0.545 19102 401 1 13 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102 402 1 13 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.689 -5.489 19102 403 1 13 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.088 14.762 19102 404 1 13 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 405 1 13 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.887 -2.567 19102 406 1 13 . 1 1 7 7 GLY H H 7 8.350 8.350 7.686 0.664 19102 407 1 13 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.332 -0.342 19102 408 1 13 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.191 2.219 19102 409 1 13 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.336 0.384 19102 410 1 13 . 1 1 8 8 LEU H H 8 8.980 8.980 7.776 1.204 19102 411 1 13 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.540 -2.200 19102 412 1 13 . 1 1 9 9 GLY H H 9 8.380 8.380 7.931 0.449 19102 413 1 13 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 414 1 13 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.976 0.694 19102 415 1 13 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.263 9.977 19102 416 1 13 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102 417 1 14 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.945 -0.215 19102 418 1 14 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.502 -2.072 19102 419 1 14 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.820 14.270 19102 420 1 14 . 1 1 2 2 CYS H H 2 8.810 8.810 8.638 0.172 19102 421 1 14 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.428 -0.028 19102 422 1 14 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.191 -3.041 19102 423 1 14 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.383 0.007 19102 424 1 14 . 1 1 3 3 ARG H H 3 8.930 8.930 8.677 0.253 19102 425 1 14 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.423 -0.103 19102 426 1 14 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.407 -2.598 19102 427 1 14 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.385 0.235 19102 428 1 14 . 1 1 4 4 LEU H H 4 8.000 8.000 7.994 0.006 19102 429 1 14 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.336 -0.168 19102 430 1 14 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.696 -3.615 19102 431 1 14 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.359 -0.379 19102 432 1 14 . 1 1 5 5 ALA H H 5 7.990 7.990 8.535 -0.545 19102 433 1 14 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102 434 1 14 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.690 -5.489 19102 435 1 14 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.090 14.760 19102 436 1 14 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 437 1 14 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.916 -2.596 19102 438 1 14 . 1 1 7 7 GLY H H 7 8.350 8.350 7.679 0.671 19102 439 1 14 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.310 -0.320 19102 440 1 14 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.288 2.122 19102 441 1 14 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.701 0.019 19102 442 1 14 . 1 1 8 8 LEU H H 8 8.980 8.980 7.785 1.195 19102 443 1 14 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.502 -2.162 19102 444 1 14 . 1 1 9 9 GLY H H 9 8.380 8.380 7.899 0.481 19102 445 1 14 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 446 1 14 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.977 0.693 19102 447 1 14 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.261 9.979 19102 448 1 14 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 449 1 15 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.852 -0.122 19102 450 1 15 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.154 -1.724 19102 451 1 15 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.059 14.031 19102 452 1 15 . 1 1 2 2 CYS H H 2 8.810 8.810 8.593 0.217 19102 453 1 15 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.434 -0.034 19102 454 1 15 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.131 -2.981 19102 455 1 15 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.563 -0.173 19102 456 1 15 . 1 1 3 3 ARG H H 3 8.930 8.930 8.666 0.264 19102 457 1 15 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.454 -0.134 19102 458 1 15 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.378 -2.568 19102 459 1 15 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.107 0.513 19102 460 1 15 . 1 1 4 4 LEU H H 4 8.000 8.000 7.973 0.027 19102 461 1 15 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.335 -0.167 19102 462 1 15 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.693 -3.613 19102 463 1 15 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.363 -0.383 19102 464 1 15 . 1 1 5 5 ALA H H 5 7.990 7.990 8.535 -0.545 19102 465 1 15 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102 466 1 15 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.685 -5.486 19102 467 1 15 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.092 14.758 19102 468 1 15 . 1 1 6 6 CYS H H 6 8.180 8.180 8.380 -0.200 19102 469 1 15 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.879 -2.559 19102 470 1 15 . 1 1 7 7 GLY H H 7 8.350 8.350 7.676 0.674 19102 471 1 15 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.315 -0.325 19102 472 1 15 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.227 2.183 19102 473 1 15 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.558 0.162 19102 474 1 15 . 1 1 8 8 LEU H H 8 8.980 8.980 7.790 1.190 19102 475 1 15 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.537 -2.197 19102 476 1 15 . 1 1 9 9 GLY H H 9 8.380 8.380 7.912 0.468 19102 477 1 15 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 478 1 15 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.976 0.694 19102 479 1 15 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.261 9.979 19102 480 1 15 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102 481 1 16 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.947 -0.217 19102 482 1 16 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.294 -1.864 19102 483 1 16 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.869 14.222 19102 484 1 16 . 1 1 2 2 CYS H H 2 8.810 8.810 8.590 0.220 19102 485 1 16 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.432 -0.032 19102 486 1 16 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.173 -3.023 19102 487 1 16 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.341 0.049 19102 488 1 16 . 1 1 3 3 ARG H H 3 8.930 8.930 8.675 0.255 19102 489 1 16 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.424 -0.104 19102 490 1 16 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.400 -2.590 19102 491 1 16 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.364 0.256 19102 492 1 16 . 1 1 4 4 LEU H H 4 8.000 8.000 7.993 0.007 19102 493 1 16 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.335 -0.167 19102 494 1 16 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.701 -3.621 19102 495 1 16 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.358 -0.378 19102 496 1 16 . 1 1 5 5 ALA H H 5 7.990 7.990 8.535 -0.545 19102 497 1 16 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102 498 1 16 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.685 -5.485 19102 499 1 16 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.088 14.762 19102 500 1 16 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 501 1 16 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.979 -2.659 19102 502 1 16 . 1 1 7 7 GLY H H 7 8.350 8.350 7.689 0.661 19102 503 1 16 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.310 -0.320 19102 504 1 16 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.355 2.054 19102 505 1 16 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.771 -0.051 19102 506 1 16 . 1 1 8 8 LEU H H 8 8.980 8.980 7.779 1.201 19102 507 1 16 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.483 -2.143 19102 508 1 16 . 1 1 9 9 GLY H H 9 8.380 8.380 7.881 0.499 19102 509 1 16 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 510 1 16 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.692 19102 511 1 16 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.264 9.976 19102 512 1 16 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 513 1 17 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.853 -0.123 19102 514 1 17 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.142 -1.712 19102 515 1 17 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.045 14.045 19102 516 1 17 . 1 1 2 2 CYS H H 2 8.810 8.810 8.599 0.211 19102 517 1 17 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.429 -0.029 19102 518 1 17 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.087 -2.937 19102 519 1 17 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.525 -0.135 19102 520 1 17 . 1 1 3 3 ARG H H 3 8.930 8.930 8.666 0.264 19102 521 1 17 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.454 -0.134 19102 522 1 17 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.355 -2.545 19102 523 1 17 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.122 0.498 19102 524 1 17 . 1 1 4 4 LEU H H 4 8.000 8.000 7.972 0.028 19102 525 1 17 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.335 -0.167 19102 526 1 17 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.700 -3.620 19102 527 1 17 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.360 -0.380 19102 528 1 17 . 1 1 5 5 ALA H H 5 7.990 7.990 8.534 -0.544 19102 529 1 17 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102 530 1 17 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.692 -5.492 19102 531 1 17 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.089 14.761 19102 532 1 17 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 533 1 17 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.037 -2.717 19102 534 1 17 . 1 1 7 7 GLY H H 7 8.350 8.350 7.708 0.642 19102 535 1 17 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.322 -0.332 19102 536 1 17 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.203 2.207 19102 537 1 17 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.594 0.126 19102 538 1 17 . 1 1 8 8 LEU H H 8 8.980 8.980 7.775 1.205 19102 539 1 17 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.502 -2.162 19102 540 1 17 . 1 1 9 9 GLY H H 9 8.380 8.380 7.868 0.512 19102 541 1 17 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 542 1 17 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.975 0.695 19102 543 1 17 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.261 9.979 19102 544 1 17 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102 545 1 18 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.853 -0.123 19102 546 1 18 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.163 -1.733 19102 547 1 18 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.097 13.993 19102 548 1 18 . 1 1 2 2 CYS H H 2 8.810 8.810 8.586 0.224 19102 549 1 18 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.444 -0.044 19102 550 1 18 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.115 -2.965 19102 551 1 18 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.489 -0.099 19102 552 1 18 . 1 1 3 3 ARG H H 3 8.930 8.930 8.661 0.269 19102 553 1 18 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.454 -0.134 19102 554 1 18 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.370 -2.560 19102 555 1 18 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.105 0.515 19102 556 1 18 . 1 1 4 4 LEU H H 4 8.000 8.000 7.974 0.026 19102 557 1 18 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.335 -0.167 19102 558 1 18 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.698 -3.618 19102 559 1 18 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.358 -0.378 19102 560 1 18 . 1 1 5 5 ALA H H 5 7.990 7.990 8.535 -0.545 19102 561 1 18 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102 562 1 18 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.690 -5.489 19102 563 1 18 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.089 14.761 19102 564 1 18 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 565 1 18 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.885 -2.565 19102 566 1 18 . 1 1 7 7 GLY H H 7 8.350 8.350 7.688 0.662 19102 567 1 18 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.338 -0.348 19102 568 1 18 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.172 2.239 19102 569 1 18 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.272 0.448 19102 570 1 18 . 1 1 8 8 LEU H H 8 8.980 8.980 7.773 1.207 19102 571 1 18 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.548 -2.208 19102 572 1 18 . 1 1 9 9 GLY H H 9 8.380 8.380 7.936 0.444 19102 573 1 18 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 574 1 18 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.975 0.695 19102 575 1 18 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.260 9.980 19102 576 1 18 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 577 1 19 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.856 -0.126 19102 578 1 19 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.100 -1.670 19102 579 1 19 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.078 14.012 19102 580 1 19 . 1 1 2 2 CYS H H 2 8.810 8.810 8.600 0.210 19102 581 1 19 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.448 -0.048 19102 582 1 19 . 1 1 3 3 ARG CA C 3 55.150 55.150 57.995 -2.845 19102 583 1 19 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.309 0.081 19102 584 1 19 . 1 1 3 3 ARG H H 3 8.930 8.930 8.707 0.223 19102 585 1 19 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.465 -0.145 19102 586 1 19 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.323 -2.513 19102 587 1 19 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.573 0.047 19102 588 1 19 . 1 1 4 4 LEU H H 4 8.000 8.000 7.857 0.143 19102 589 1 19 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.361 -0.193 19102 590 1 19 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.681 -3.601 19102 591 1 19 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.388 -0.408 19102 592 1 19 . 1 1 5 5 ALA H H 5 7.990 7.990 8.487 -0.497 19102 593 1 19 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102 594 1 19 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.693 -5.492 19102 595 1 19 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.090 14.760 19102 596 1 19 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 597 1 19 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.962 -2.642 19102 598 1 19 . 1 1 7 7 GLY H H 7 8.350 8.350 7.687 0.663 19102 599 1 19 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.314 -0.324 19102 600 1 19 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.352 2.058 19102 601 1 19 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.656 0.064 19102 602 1 19 . 1 1 8 8 LEU H H 8 8.980 8.980 7.776 1.204 19102 603 1 19 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.482 -2.142 19102 604 1 19 . 1 1 9 9 GLY H H 9 8.380 8.380 7.898 0.482 19102 605 1 19 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 606 1 19 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.980 0.690 19102 607 1 19 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.264 9.976 19102 608 1 19 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102 609 1 20 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.852 -0.122 19102 610 1 20 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.138 -1.708 19102 611 1 20 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.057 14.033 19102 612 1 20 . 1 1 2 2 CYS H H 2 8.810 8.810 8.596 0.214 19102 613 1 20 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.450 -0.050 19102 614 1 20 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.105 -2.955 19102 615 1 20 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.475 -0.085 19102 616 1 20 . 1 1 3 3 ARG H H 3 8.930 8.930 8.708 0.222 19102 617 1 20 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.450 -0.130 19102 618 1 20 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.375 -2.565 19102 619 1 20 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.670 -0.050 19102 620 1 20 . 1 1 4 4 LEU H H 4 8.000 8.000 7.870 0.130 19102 621 1 20 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.360 -0.192 19102 622 1 20 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.685 -3.606 19102 623 1 20 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.391 -0.411 19102 624 1 20 . 1 1 5 5 ALA H H 5 7.990 7.990 8.489 -0.499 19102 625 1 20 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102 626 1 20 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.685 -5.485 19102 627 1 20 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.088 14.762 19102 628 1 20 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 629 1 20 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.018 -2.698 19102 630 1 20 . 1 1 7 7 GLY H H 7 8.350 8.350 7.700 0.650 19102 631 1 20 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.315 -0.325 19102 632 1 20 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.296 2.114 19102 633 1 20 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.696 0.024 19102 634 1 20 . 1 1 8 8 LEU H H 8 8.980 8.980 7.776 1.204 19102 635 1 20 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.491 -2.151 19102 636 1 20 . 1 1 9 9 GLY H H 9 8.380 8.380 7.873 0.507 19102 637 1 20 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 638 1 20 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.976 0.694 19102 639 1 20 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.259 9.981 19102 640 1 20 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 641 1 21 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.852 -0.122 19102 642 1 21 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.152 -1.722 19102 643 1 21 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.098 13.992 19102 644 1 21 . 1 1 2 2 CYS H H 2 8.810 8.810 8.589 0.221 19102 645 1 21 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.461 -0.061 19102 646 1 21 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.075 -2.925 19102 647 1 21 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.421 -0.031 19102 648 1 21 . 1 1 3 3 ARG H H 3 8.930 8.930 8.704 0.226 19102 649 1 21 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.447 -0.127 19102 650 1 21 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.383 -2.573 19102 651 1 21 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.646 -0.026 19102 652 1 21 . 1 1 4 4 LEU H H 4 8.000 8.000 7.873 0.127 19102 653 1 21 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.360 -0.192 19102 654 1 21 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.676 -3.596 19102 655 1 21 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.394 -0.414 19102 656 1 21 . 1 1 5 5 ALA H H 5 7.990 7.990 8.492 -0.502 19102 657 1 21 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102 658 1 21 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.686 -5.486 19102 659 1 21 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.091 14.759 19102 660 1 21 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 661 1 21 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.882 -2.562 19102 662 1 21 . 1 1 7 7 GLY H H 7 8.350 8.350 7.679 0.671 19102 663 1 21 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.319 -0.329 19102 664 1 21 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.221 2.189 19102 665 1 21 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.486 0.234 19102 666 1 21 . 1 1 8 8 LEU H H 8 8.980 8.980 7.786 1.194 19102 667 1 21 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.535 -2.195 19102 668 1 21 . 1 1 9 9 GLY H H 9 8.380 8.380 7.918 0.462 19102 669 1 21 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 670 1 21 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.977 0.693 19102 671 1 21 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.261 9.979 19102 672 1 21 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 673 1 22 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.853 -0.123 19102 674 1 22 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.157 -1.726 19102 675 1 22 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.052 14.038 19102 676 1 22 . 1 1 2 2 CYS H H 2 8.810 8.810 8.594 0.216 19102 677 1 22 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.451 -0.051 19102 678 1 22 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.156 -3.006 19102 679 1 22 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.569 -0.179 19102 680 1 22 . 1 1 3 3 ARG H H 3 8.930 8.930 8.711 0.219 19102 681 1 22 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.450 -0.130 19102 682 1 22 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.395 -2.585 19102 683 1 22 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.693 -0.073 19102 684 1 22 . 1 1 4 4 LEU H H 4 8.000 8.000 7.869 0.131 19102 685 1 22 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.361 -0.193 19102 686 1 22 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.683 -3.603 19102 687 1 22 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.388 -0.408 19102 688 1 22 . 1 1 5 5 ALA H H 5 7.990 7.990 8.487 -0.497 19102 689 1 22 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.500 0.630 19102 690 1 22 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.700 -5.500 19102 691 1 22 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.090 14.761 19102 692 1 22 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 693 1 22 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.046 -2.726 19102 694 1 22 . 1 1 7 7 GLY H H 7 8.350 8.350 7.710 0.640 19102 695 1 22 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.324 -0.334 19102 696 1 22 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.194 2.216 19102 697 1 22 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.553 0.167 19102 698 1 22 . 1 1 8 8 LEU H H 8 8.980 8.980 7.774 1.206 19102 699 1 22 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.502 -2.162 19102 700 1 22 . 1 1 9 9 GLY H H 9 8.380 8.380 7.869 0.511 19102 701 1 22 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 702 1 22 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.692 19102 703 1 22 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.262 9.979 19102 704 1 22 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 705 1 23 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.940 -0.210 19102 706 1 23 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.570 -2.140 19102 707 1 23 . 1 1 2 2 CYS CB C 2 45.090 45.090 30.796 14.294 19102 708 1 23 . 1 1 2 2 CYS H H 2 8.810 8.810 8.649 0.161 19102 709 1 23 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.461 -0.061 19102 710 1 23 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.218 -3.068 19102 711 1 23 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.323 0.067 19102 712 1 23 . 1 1 3 3 ARG H H 3 8.930 8.930 8.707 0.223 19102 713 1 23 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.421 -0.101 19102 714 1 23 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.183 -2.373 19102 715 1 23 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.909 -0.289 19102 716 1 23 . 1 1 4 4 LEU H H 4 8.000 8.000 7.859 0.141 19102 717 1 23 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.359 -0.191 19102 718 1 23 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.678 -3.598 19102 719 1 23 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.394 -0.414 19102 720 1 23 . 1 1 5 5 ALA H H 5 7.990 7.990 8.492 -0.502 19102 721 1 23 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102 722 1 23 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.682 -5.482 19102 723 1 23 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.091 14.759 19102 724 1 23 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 725 1 23 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.878 -2.558 19102 726 1 23 . 1 1 7 7 GLY H H 7 8.350 8.350 7.673 0.677 19102 727 1 23 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.310 -0.320 19102 728 1 23 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.232 2.178 19102 729 1 23 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.644 0.076 19102 730 1 23 . 1 1 8 8 LEU H H 8 8.980 8.980 7.794 1.186 19102 731 1 23 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.535 -2.195 19102 732 1 23 . 1 1 9 9 GLY H H 9 8.380 8.380 7.904 0.476 19102 733 1 23 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 734 1 23 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.691 19102 735 1 23 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.262 9.978 19102 736 1 23 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 737 1 24 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.853 -0.123 19102 738 1 24 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.141 -1.711 19102 739 1 24 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.036 14.054 19102 740 1 24 . 1 1 2 2 CYS H H 2 8.810 8.810 8.600 0.210 19102 741 1 24 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.448 -0.048 19102 742 1 24 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.175 -3.025 19102 743 1 24 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.378 0.012 19102 744 1 24 . 1 1 3 3 ARG H H 3 8.930 8.930 8.653 0.277 19102 745 1 24 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.415 -0.095 19102 746 1 24 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.490 -2.680 19102 747 1 24 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.539 0.081 19102 748 1 24 . 1 1 4 4 LEU H H 4 8.000 8.000 7.888 0.112 19102 749 1 24 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.329 -0.161 19102 750 1 24 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.666 -3.586 19102 751 1 24 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.385 -0.405 19102 752 1 24 . 1 1 5 5 ALA H H 5 7.990 7.990 8.509 -0.519 19102 753 1 24 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102 754 1 24 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.686 -5.486 19102 755 1 24 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.092 14.758 19102 756 1 24 . 1 1 6 6 CYS H H 6 8.180 8.180 8.380 -0.201 19102 757 1 24 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.910 -2.591 19102 758 1 24 . 1 1 7 7 GLY H H 7 8.350 8.350 7.676 0.674 19102 759 1 24 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.307 -0.317 19102 760 1 24 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.278 2.132 19102 761 1 24 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.757 -0.037 19102 762 1 24 . 1 1 8 8 LEU H H 8 8.980 8.980 7.788 1.192 19102 763 1 24 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.505 -2.165 19102 764 1 24 . 1 1 9 9 GLY H H 9 8.380 8.380 7.894 0.486 19102 765 1 24 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 766 1 24 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.979 0.691 19102 767 1 24 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.262 9.977 19102 768 1 24 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 769 1 25 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.852 -0.122 19102 770 1 25 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.140 -1.710 19102 771 1 25 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.079 14.011 19102 772 1 25 . 1 1 2 2 CYS H H 2 8.810 8.810 8.593 0.217 19102 773 1 25 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.461 -0.061 19102 774 1 25 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.169 -3.019 19102 775 1 25 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.331 0.059 19102 776 1 25 . 1 1 3 3 ARG H H 3 8.930 8.930 8.653 0.277 19102 777 1 25 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.420 -0.100 19102 778 1 25 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.482 -2.672 19102 779 1 25 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.490 0.130 19102 780 1 25 . 1 1 4 4 LEU H H 4 8.000 8.000 7.889 0.111 19102 781 1 25 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.330 -0.162 19102 782 1 25 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.669 -3.589 19102 783 1 25 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.386 -0.406 19102 784 1 25 . 1 1 5 5 ALA H H 5 7.990 7.990 8.508 -0.518 19102 785 1 25 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102 786 1 25 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.688 -5.488 19102 787 1 25 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.092 14.758 19102 788 1 25 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 789 1 25 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.893 -2.573 19102 790 1 25 . 1 1 7 7 GLY H H 7 8.350 8.350 7.679 0.671 19102 791 1 25 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.319 -0.329 19102 792 1 25 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.231 2.179 19102 793 1 25 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.504 0.216 19102 794 1 25 . 1 1 8 8 LEU H H 8 8.980 8.980 7.784 1.196 19102 795 1 25 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.524 -2.184 19102 796 1 25 . 1 1 9 9 GLY H H 9 8.380 8.380 7.917 0.463 19102 797 1 25 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 798 1 25 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.975 0.695 19102 799 1 25 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.259 9.981 19102 800 1 25 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 801 1 26 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.851 -0.121 19102 802 1 26 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.145 -1.715 19102 803 1 26 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.097 13.993 19102 804 1 26 . 1 1 2 2 CYS H H 2 8.810 8.810 8.590 0.220 19102 805 1 26 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.467 -0.067 19102 806 1 26 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.141 -2.991 19102 807 1 26 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.276 0.114 19102 808 1 26 . 1 1 3 3 ARG H H 3 8.930 8.930 8.653 0.277 19102 809 1 26 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.423 -0.103 19102 810 1 26 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.472 -2.662 19102 811 1 26 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.472 0.148 19102 812 1 26 . 1 1 4 4 LEU H H 4 8.000 8.000 7.890 0.110 19102 813 1 26 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.329 -0.161 19102 814 1 26 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.677 -3.597 19102 815 1 26 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.387 -0.406 19102 816 1 26 . 1 1 5 5 ALA H H 5 7.990 7.990 8.508 -0.518 19102 817 1 26 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102 818 1 26 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.685 -5.486 19102 819 1 26 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.088 14.762 19102 820 1 26 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 821 1 26 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.972 -2.652 19102 822 1 26 . 1 1 7 7 GLY H H 7 8.350 8.350 7.688 0.662 19102 823 1 26 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.310 -0.320 19102 824 1 26 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.358 2.052 19102 825 1 26 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.759 -0.039 19102 826 1 26 . 1 1 8 8 LEU H H 8 8.980 8.980 7.779 1.201 19102 827 1 26 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.483 -2.143 19102 828 1 26 . 1 1 9 9 GLY H H 9 8.380 8.380 7.886 0.494 19102 829 1 26 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 830 1 26 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.692 19102 831 1 26 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.260 9.980 19102 832 1 26 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 833 1 27 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.856 -0.126 19102 834 1 27 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.129 -1.699 19102 835 1 27 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.033 14.057 19102 836 1 27 . 1 1 2 2 CYS H H 2 8.810 8.810 8.605 0.205 19102 837 1 27 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.443 -0.043 19102 838 1 27 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.056 -2.906 19102 839 1 27 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.430 -0.040 19102 840 1 27 . 1 1 3 3 ARG H H 3 8.930 8.930 8.704 0.226 19102 841 1 27 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.449 -0.129 19102 842 1 27 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.341 -2.531 19102 843 1 27 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.690 -0.070 19102 844 1 27 . 1 1 4 4 LEU H H 4 8.000 8.000 7.868 0.132 19102 845 1 27 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.359 -0.191 19102 846 1 27 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.689 -3.609 19102 847 1 27 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.389 -0.409 19102 848 1 27 . 1 1 5 5 ALA H H 5 7.990 7.990 8.488 -0.498 19102 849 1 27 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102 850 1 27 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.697 -5.497 19102 851 1 27 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.087 14.763 19102 852 1 27 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 853 1 27 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.009 -2.689 19102 854 1 27 . 1 1 7 7 GLY H H 7 8.350 8.350 7.699 0.651 19102 855 1 27 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.318 -0.328 19102 856 1 27 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.343 2.067 19102 857 1 27 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.617 0.103 19102 858 1 27 . 1 1 8 8 LEU H H 8 8.980 8.980 7.772 1.208 19102 859 1 27 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.481 -2.141 19102 860 1 27 . 1 1 9 9 GLY H H 9 8.380 8.380 7.886 0.494 19102 861 1 27 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 862 1 27 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.978 0.692 19102 863 1 27 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.261 9.979 19102 864 1 27 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 865 1 28 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.855 -0.125 19102 866 1 28 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.124 -1.694 19102 867 1 28 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.040 14.050 19102 868 1 28 . 1 1 2 2 CYS H H 2 8.810 8.810 8.604 0.206 19102 869 1 28 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.445 -0.045 19102 870 1 28 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.054 -2.904 19102 871 1 28 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.421 -0.031 19102 872 1 28 . 1 1 3 3 ARG H H 3 8.930 8.930 8.705 0.225 19102 873 1 28 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.452 -0.132 19102 874 1 28 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.340 -2.530 19102 875 1 28 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.669 -0.049 19102 876 1 28 . 1 1 4 4 LEU H H 4 8.000 8.000 7.867 0.134 19102 877 1 28 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.360 -0.192 19102 878 1 28 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.680 -3.600 19102 879 1 28 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.392 -0.412 19102 880 1 28 . 1 1 5 5 ALA H H 5 7.990 7.990 8.490 -0.500 19102 881 1 28 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102 882 1 28 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.687 -5.487 19102 883 1 28 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.091 14.759 19102 884 1 28 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 885 1 28 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.933 -2.613 19102 886 1 28 . 1 1 7 7 GLY H H 7 8.350 8.350 7.680 0.670 19102 887 1 28 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.308 -0.318 19102 888 1 28 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.315 2.095 19102 889 1 28 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.750 -0.030 19102 890 1 28 . 1 1 8 8 LEU H H 8 8.980 8.980 7.784 1.196 19102 891 1 28 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.495 -2.155 19102 892 1 28 . 1 1 9 9 GLY H H 9 8.380 8.380 7.894 0.486 19102 893 1 28 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 894 1 28 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.977 0.693 19102 895 1 28 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.260 9.980 19102 896 1 28 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102 897 1 29 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.853 -0.123 19102 898 1 29 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.156 -1.726 19102 899 1 29 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.055 14.034 19102 900 1 29 . 1 1 2 2 CYS H H 2 8.810 8.810 8.593 0.217 19102 901 1 29 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.458 -0.058 19102 902 1 29 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.216 -3.066 19102 903 1 29 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.444 -0.054 19102 904 1 29 . 1 1 3 3 ARG H H 3 8.930 8.930 8.654 0.276 19102 905 1 29 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.418 -0.098 19102 906 1 29 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.512 -2.702 19102 907 1 29 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.541 0.079 19102 908 1 29 . 1 1 4 4 LEU H H 4 8.000 8.000 7.887 0.113 19102 909 1 29 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.330 -0.162 19102 910 1 29 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.673 -3.593 19102 911 1 29 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.384 -0.404 19102 912 1 29 . 1 1 5 5 ALA H H 5 7.990 7.990 8.507 -0.517 19102 913 1 29 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102 914 1 29 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.693 -5.493 19102 915 1 29 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.089 14.761 19102 916 1 29 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 917 1 29 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.054 -2.734 19102 918 1 29 . 1 1 7 7 GLY H H 7 8.350 8.350 7.716 0.634 19102 919 1 29 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.330 -0.341 19102 920 1 29 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.082 2.328 19102 921 1 29 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.482 0.238 19102 922 1 29 . 1 1 8 8 LEU H H 8 8.980 8.980 7.776 1.204 19102 923 1 29 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.522 -2.182 19102 924 1 29 . 1 1 9 9 GLY H H 9 8.380 8.380 7.862 0.518 19102 925 1 29 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 926 1 29 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.979 0.691 19102 927 1 29 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.263 9.977 19102 928 1 29 . 1 1 10 10 CYS H H 10 7.410 7.410 7.607 -0.197 19102 929 1 30 . 1 1 2 2 CYS HA H 2 4.730 4.730 4.852 -0.122 19102 930 1 30 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.153 -1.722 19102 931 1 30 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.067 14.023 19102 932 1 30 . 1 1 2 2 CYS H H 2 8.810 8.810 8.591 0.219 19102 933 1 30 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.455 -0.055 19102 934 1 30 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.139 -2.989 19102 935 1 30 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.532 -0.142 19102 936 1 30 . 1 1 3 3 ARG H H 3 8.930 8.930 8.709 0.221 19102 937 1 30 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.447 -0.127 19102 938 1 30 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.399 -2.589 19102 939 1 30 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.682 -0.062 19102 940 1 30 . 1 1 4 4 LEU H H 4 8.000 8.000 7.872 0.128 19102 941 1 30 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.360 -0.192 19102 942 1 30 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.682 -3.602 19102 943 1 30 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.391 -0.411 19102 944 1 30 . 1 1 5 5 ALA H H 5 7.990 7.990 8.489 -0.499 19102 945 1 30 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.502 0.628 19102 946 1 30 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.691 -5.491 19102 947 1 30 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.089 14.761 19102 948 1 30 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 949 1 30 . 1 1 7 7 GLY CA C 7 43.320 43.320 46.003 -2.683 19102 950 1 30 . 1 1 7 7 GLY H H 7 8.350 8.350 7.696 0.654 19102 951 1 30 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.314 -0.324 19102 952 1 30 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.335 2.075 19102 953 1 30 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.700 0.020 19102 954 1 30 . 1 1 8 8 LEU H H 8 8.980 8.980 7.775 1.205 19102 955 1 30 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.484 -2.144 19102 956 1 30 . 1 1 9 9 GLY H H 9 8.380 8.380 7.879 0.501 19102 957 1 30 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 958 1 30 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.977 0.693 19102 959 1 30 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.263 9.977 19102 960 1 30 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 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 0 0.000 0.000 0.000 19102 2 1 1 "Average Difference" HA 11 0.310 -0.044 0.322 19102 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19102 4 1 1 "Average Difference" CA 9 2.889 1.994 2.218 19102 5 1 1 "Average Difference" CB 7 8.610 -5.676 6.993 19102 6 1 1 "Average Difference" HN 9 0.538 -0.210 0.526 19102 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19102 8 1 2 "Average Difference" HA 11 0.306 -0.054 0.316 19102 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19102 10 1 2 "Average Difference" CA 9 2.971 2.077 2.253 19102 11 1 2 "Average Difference" CB 7 8.602 -5.570 7.080 19102 12 1 2 "Average Difference" HN 9 0.537 -0.210 0.524 19102 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19102 14 1 3 "Average Difference" HA 11 0.308 -0.054 0.318 19102 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19102 16 1 3 "Average Difference" CA 9 2.953 2.031 2.273 19102 17 1 3 "Average Difference" CB 7 8.591 -5.563 7.071 19102 18 1 3 "Average Difference" HN 9 0.534 -0.208 0.522 19102 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19102 20 1 4 "Average Difference" HA 11 0.307 -0.051 0.318 19102 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19102 22 1 4 "Average Difference" CA 9 2.963 2.035 2.285 19102 23 1 4 "Average Difference" CB 7 8.573 -5.549 7.058 19102 24 1 4 "Average Difference" HN 9 0.539 -0.214 0.525 19102 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19102 26 1 5 "Average Difference" HA 11 0.307 -0.052 0.317 19102 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19102 28 1 5 "Average Difference" CA 9 2.929 2.007 2.262 19102 29 1 5 "Average Difference" CB 7 8.569 -5.569 7.034 19102 30 1 5 "Average Difference" HN 9 0.536 -0.212 0.522 19102 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19102 32 1 6 "Average Difference" HA 11 0.307 -0.053 0.317 19102 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19102 34 1 6 "Average Difference" CA 9 3.001 2.078 2.296 19102 35 1 6 "Average Difference" CB 7 8.604 -5.574 7.079 19102 36 1 6 "Average Difference" HN 9 0.538 -0.211 0.525 19102 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19102 38 1 7 "Average Difference" HA 11 0.306 -0.055 0.316 19102 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19102 40 1 7 "Average Difference" CA 9 2.953 2.037 2.269 19102 41 1 7 "Average Difference" CB 7 8.593 -5.521 7.113 19102 42 1 7 "Average Difference" HN 9 0.535 -0.209 0.522 19102 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19102 44 1 8 "Average Difference" HA 11 0.307 -0.051 0.318 19102 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19102 46 1 8 "Average Difference" CA 9 2.945 2.031 2.263 19102 47 1 8 "Average Difference" CB 7 8.570 -5.569 7.036 19102 48 1 8 "Average Difference" HN 9 0.539 -0.214 0.525 19102 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19102 50 1 9 "Average Difference" HA 11 0.306 -0.055 0.315 19102 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19102 52 1 9 "Average Difference" CA 9 2.982 2.078 2.268 19102 53 1 9 "Average Difference" CB 7 8.603 -5.552 7.098 19102 54 1 9 "Average Difference" HN 9 0.536 -0.208 0.524 19102 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19102 56 1 10 "Average Difference" HA 11 0.307 -0.052 0.318 19102 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19102 58 1 10 "Average Difference" CA 9 2.964 2.032 2.289 19102 59 1 10 "Average Difference" CB 7 8.580 -5.553 7.064 19102 60 1 10 "Average Difference" HN 9 0.539 -0.213 0.525 19102 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19102 62 1 11 "Average Difference" HA 11 0.307 -0.053 0.317 19102 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19102 64 1 11 "Average Difference" CA 9 3.005 2.084 2.296 19102 65 1 11 "Average Difference" CB 7 8.604 -5.566 7.086 19102 66 1 11 "Average Difference" HN 9 0.538 -0.211 0.525 19102 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19102 68 1 12 "Average Difference" HA 11 0.307 -0.052 0.317 19102 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19102 70 1 12 "Average Difference" CA 9 2.964 2.044 2.276 19102 71 1 12 "Average Difference" CB 7 8.580 -5.541 7.076 19102 72 1 12 "Average Difference" HN 9 0.539 -0.214 0.525 19102 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19102 74 1 13 "Average Difference" HA 11 0.309 -0.052 0.319 19102 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19102 76 1 13 "Average Difference" CA 9 2.944 2.016 2.276 19102 77 1 13 "Average Difference" CB 7 8.579 -5.590 7.029 19102 78 1 13 "Average Difference" HN 9 0.536 -0.208 0.523 19102 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19102 80 1 14 "Average Difference" HA 11 0.310 -0.048 0.321 19102 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19102 82 1 14 "Average Difference" CA 9 2.979 2.084 2.258 19102 83 1 14 "Average Difference" CB 7 8.629 -5.556 7.132 19102 84 1 14 "Average Difference" HN 9 0.535 -0.204 0.525 19102 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19102 86 1 15 "Average Difference" HA 11 0.307 -0.053 0.317 19102 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19102 88 1 15 "Average Difference" CA 9 2.948 2.028 2.270 19102 89 1 15 "Average Difference" CB 7 8.575 -5.555 7.056 19102 90 1 15 "Average Difference" HN 9 0.536 -0.211 0.522 19102 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19102 92 1 16 "Average Difference" HA 11 0.310 -0.047 0.321 19102 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19102 94 1 16 "Average Difference" CA 9 2.961 2.071 2.244 19102 95 1 16 "Average Difference" CB 7 8.618 -5.548 7.123 19102 96 1 16 "Average Difference" HN 9 0.539 -0.211 0.526 19102 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19102 98 1 17 "Average Difference" HA 11 0.307 -0.052 0.318 19102 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19102 100 1 17 "Average Difference" CA 9 2.957 2.031 2.280 19102 101 1 17 "Average Difference" CB 7 8.579 -5.556 7.060 19102 102 1 17 "Average Difference" HN 9 0.539 -0.213 0.525 19102 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19102 104 1 18 "Average Difference" HA 11 0.310 -0.050 0.321 19102 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19102 106 1 18 "Average Difference" CA 9 2.954 2.023 2.283 19102 107 1 18 "Average Difference" CB 7 8.568 -5.603 7.002 19102 108 1 18 "Average Difference" HN 9 0.536 -0.210 0.524 19102 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19102 110 1 19 "Average Difference" HA 11 0.309 -0.048 0.320 19102 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19102 112 1 19 "Average Difference" CA 9 2.918 2.017 2.236 19102 113 1 19 "Average Difference" CB 7 8.568 -5.505 7.092 19102 114 1 19 "Average Difference" HN 9 0.533 -0.226 0.513 19102 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19102 116 1 20 "Average Difference" HA 11 0.308 -0.049 0.319 19102 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19102 118 1 20 "Average Difference" CA 9 2.947 2.040 2.256 19102 119 1 20 "Average Difference" CB 7 8.574 -5.465 7.137 19102 120 1 20 "Average Difference" HN 9 0.534 -0.226 0.514 19102 121 1 21 "Average Difference" N 0 0.000 0.000 0.000 19102 122 1 21 "Average Difference" HA 11 0.309 -0.048 0.320 19102 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 19102 124 1 21 "Average Difference" CA 9 2.941 2.020 2.267 19102 125 1 21 "Average Difference" CB 7 8.564 -5.499 7.092 19102 126 1 21 "Average Difference" HN 9 0.531 -0.222 0.511 19102 127 1 22 "Average Difference" N 0 0.000 0.000 0.000 19102 128 1 22 "Average Difference" HA 11 0.309 -0.048 0.320 19102 129 1 22 "Average Difference" C 0 0.000 0.000 0.000 19102 130 1 22 "Average Difference" CA 9 2.971 2.044 2.286 19102 131 1 22 "Average Difference" CB 7 8.575 -5.469 7.134 19102 132 1 22 "Average Difference" HN 9 0.534 -0.226 0.513 19102 133 1 23 "Average Difference" N 0 0.000 0.000 0.000 19102 134 1 23 "Average Difference" HA 11 0.311 -0.043 0.323 19102 135 1 23 "Average Difference" C 0 0.000 0.000 0.000 19102 136 1 23 "Average Difference" CA 9 2.967 2.061 2.264 19102 137 1 23 "Average Difference" CB 7 8.635 -5.496 7.194 19102 138 1 23 "Average Difference" HN 9 0.529 -0.218 0.511 19102 139 1 24 "Average Difference" N 0 0.000 0.000 0.000 19102 140 1 24 "Average Difference" HA 11 0.305 -0.056 0.314 19102 141 1 24 "Average Difference" C 0 0.000 0.000 0.000 19102 142 1 24 "Average Difference" CA 9 2.956 2.047 2.262 19102 143 1 24 "Average Difference" CB 7 8.578 -5.492 7.117 19102 144 1 24 "Average Difference" HN 9 0.537 -0.226 0.516 19102 145 1 25 "Average Difference" N 0 0.000 0.000 0.000 19102 146 1 25 "Average Difference" HA 11 0.306 -0.054 0.316 19102 147 1 25 "Average Difference" C 0 0.000 0.000 0.000 19102 148 1 25 "Average Difference" CA 9 2.959 2.040 2.273 19102 149 1 25 "Average Difference" CB 7 8.569 -5.536 7.065 19102 150 1 25 "Average Difference" HN 9 0.535 -0.224 0.515 19102 151 1 26 "Average Difference" N 0 0.000 0.000 0.000 19102 152 1 26 "Average Difference" HA 11 0.305 -0.054 0.315 19102 153 1 26 "Average Difference" C 0 0.000 0.000 0.000 19102 154 1 26 "Average Difference" CA 9 2.950 2.056 2.244 19102 155 1 26 "Average Difference" CB 7 8.565 -5.507 7.085 19102 156 1 26 "Average Difference" HN 9 0.538 -0.228 0.518 19102 157 1 27 "Average Difference" N 0 0.000 0.000 0.000 19102 158 1 27 "Average Difference" HA 11 0.309 -0.049 0.319 19102 159 1 27 "Average Difference" C 0 0.000 0.000 0.000 19102 160 1 27 "Average Difference" CA 9 2.935 2.035 2.244 19102 161 1 27 "Average Difference" CB 7 8.580 -5.483 7.128 19102 162 1 27 "Average Difference" HN 9 0.534 -0.224 0.514 19102 163 1 28 "Average Difference" N 0 0.000 0.000 0.000 19102 164 1 28 "Average Difference" HA 11 0.308 -0.050 0.318 19102 165 1 28 "Average Difference" C 0 0.000 0.000 0.000 19102 166 1 28 "Average Difference" CA 9 2.927 2.022 2.245 19102 167 1 28 "Average Difference" CB 7 8.577 -5.467 7.139 19102 168 1 28 "Average Difference" HN 9 0.533 -0.224 0.513 19102 169 1 29 "Average Difference" N 0 0.000 0.000 0.000 19102 170 1 29 "Average Difference" HA 11 0.307 -0.052 0.317 19102 171 1 29 "Average Difference" C 0 0.000 0.000 0.000 19102 172 1 29 "Average Difference" CA 9 2.998 2.053 2.317 19102 173 1 29 "Average Difference" CB 7 8.574 -5.519 7.088 19102 174 1 29 "Average Difference" HN 9 0.538 -0.227 0.517 19102 175 1 30 "Average Difference" N 0 0.000 0.000 0.000 19102 176 1 30 "Average Difference" HA 11 0.308 -0.049 0.319 19102 177 1 30 "Average Difference" C 0 0.000 0.000 0.000 19102 178 1 30 "Average Difference" CA 9 2.950 2.050 2.250 19102 179 1 30 "Average Difference" CB 7 8.571 -5.452 7.143 19102 180 1 30 "Average Difference" HN 9 0.534 -0.226 0.514 19102 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 19102 _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 CYS HA H 2 4.730 4.730 4.866 -0.136 19102 2 1 . 1 1 2 2 CYS CA C 2 56.430 56.430 58.236 -1.806 19102 3 1 . 1 1 2 2 CYS CB C 2 45.090 45.090 31.013 14.077 19102 4 1 . 1 1 2 2 CYS H H 2 8.810 8.810 8.601 0.209 19102 5 1 . 1 1 3 3 ARG HA H 3 4.400 4.400 4.442 -0.042 19102 6 1 . 1 1 3 3 ARG CA C 3 55.150 55.150 58.107 -2.957 19102 7 1 . 1 1 3 3 ARG CB C 3 30.390 30.390 30.420 -0.030 19102 8 1 . 1 1 3 3 ARG H H 3 8.930 8.930 8.677 0.253 19102 9 1 . 1 1 4 4 LEU HA H 4 4.320 4.320 4.442 -0.122 19102 10 1 . 1 1 4 4 LEU CA C 4 53.810 53.810 56.375 -2.565 19102 11 1 . 1 1 4 4 LEU CB C 4 41.620 41.620 41.374 0.246 19102 12 1 . 1 1 4 4 LEU H H 4 8.000 8.000 7.937 0.063 19102 13 1 . 1 1 5 5 ALA HA H 5 4.168 4.168 4.341 -0.173 19102 14 1 . 1 1 5 5 ALA CA C 5 50.080 50.080 53.691 -3.611 19102 15 1 . 1 1 5 5 ALA CB C 5 16.980 16.980 17.373 -0.393 19102 16 1 . 1 1 5 5 ALA H H 5 7.990 7.990 8.518 -0.528 19102 17 1 . 1 1 6 6 CYS HA H 6 5.130 5.130 4.501 0.629 19102 18 1 . 1 1 6 6 CYS CA C 6 54.200 54.200 59.689 -5.489 19102 19 1 . 1 1 6 6 CYS CB C 6 40.850 40.850 26.089 14.761 19102 20 1 . 1 1 6 6 CYS H H 6 8.180 8.180 8.381 -0.201 19102 21 1 . 1 1 7 7 GLY CA C 7 43.320 43.320 45.959 -2.639 19102 22 1 . 1 1 7 7 GLY H H 7 8.350 8.350 7.691 0.659 19102 23 1 . 1 1 8 8 LEU HA H 8 3.990 3.990 4.318 -0.328 19102 24 1 . 1 1 8 8 LEU CA C 8 56.410 56.410 54.245 2.165 19102 25 1 . 1 1 8 8 LEU CB C 8 40.720 40.720 40.603 0.117 19102 26 1 . 1 1 8 8 LEU H H 8 8.980 8.980 7.781 1.199 19102 27 1 . 1 1 9 9 GLY CA C 9 43.340 43.340 45.510 -2.170 19102 28 1 . 1 1 9 9 GLY H H 9 8.380 8.380 7.891 0.489 19102 29 1 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.665 -0.055 19102 30 1 . 1 1 10 10 CYS CA C 10 57.670 57.670 56.977 0.693 19102 31 1 . 1 1 10 10 CYS CB C 10 36.240 36.240 26.261 9.979 19102 32 1 . 1 1 10 10 CYS H H 10 7.410 7.410 7.606 -0.196 19102 stop_ save_