data_11044_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11044
_Entry.PDB_ID 2ROO
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 4 . 1 1 1 A 2 2 GLY H H 2 8.950 8.400 0.550 1
1 5 . 1 1 1 A 2 2 GLY HA2 H 2 3.740 3.973 -0.233 1
1 6 . 1 1 1 A 2 2 GLY HA3 H 2 4.140 4.011 0.129 1
1 7 . 1 1 1 A 3 3 SER H H 3 8.270 8.623 -0.353 1
1 8 . 1 1 1 A 3 3 SER HA H 3 3.470 4.215 -0.745 1
1 11 . 1 1 1 A 4 4 LYS H H 4 7.160 7.509 -0.349 1
1 12 . 1 1 1 A 4 4 LYS HA H 4 3.690 3.890 -0.200 1
1 22 . 1 1 1 A 5 5 ARG H H 5 8.770 9.028 -0.258 1
1 23 . 1 1 1 A 5 5 ARG HA H 5 3.660 3.930 -0.270 1
1 31 . 1 1 1 A 6 6 ALA H H 6 8.160 7.562 0.598 1
1 32 . 1 1 1 A 6 6 ALA HA H 6 4.160 4.706 -0.546 1
1 36 . 1 1 1 A 7 7 TRP H H 7 8.320 8.808 -0.488 1
1 37 . 1 1 1 A 7 7 TRP HA H 7 4.600 5.635 -1.035 1
1 43 . 1 1 1 A 8 8 CYS H H 8 7.140 7.525 -0.385 1
1 44 . 1 1 1 A 8 8 CYS HA H 8 4.390 4.535 -0.145 1
1 47 . 1 1 1 A 9 9 LYS H H 9 8.640 9.376 -0.736 1
1 48 . 1 1 1 A 9 9 LYS HA H 9 4.280 3.983 0.297 1
1 60 . 1 1 1 A 10 10 GLU H H 10 8.010 7.663 0.347 1
1 61 . 1 1 1 A 10 10 GLU HA H 10 4.690 4.730 -0.040 1
1 66 . 1 1 1 A 11 11 LYS H H 11 8.970 8.453 0.517 1
1 67 . 1 1 1 A 11 11 LYS HA H 11 3.780 3.954 -0.174 1
1 79 . 1 1 1 A 12 12 LYS H H 12 8.270 8.127 0.143 1
1 80 . 1 1 1 A 12 12 LYS HA H 12 4.310 4.236 0.074 1
1 92 . 1 1 1 A 13 13 ASP H H 13 7.840 7.466 0.374 1
1 93 . 1 1 1 A 13 13 ASP HA H 13 4.590 4.528 0.062 1
1 96 . 1 1 1 A 14 14 CYS H H 14 8.280 7.539 0.741 1
1 97 . 1 1 1 A 14 14 CYS HA H 14 5.190 4.632 0.558 1
1 100 . 1 1 1 A 15 15 CYS H H 15 9.460 9.296 0.164 1
1 101 . 1 1 1 A 15 15 CYS HA H 15 4.620 4.399 0.221 1
1 104 . 1 1 1 A 16 16 CYS H H 16 8.720 8.673 0.047 1
1 105 . 1 1 1 A 16 16 CYS HA H 16 4.470 4.155 0.315 1
1 108 . 1 1 1 A 17 17 GLY H H 17 9.330 8.684 0.646 1
1 109 . 1 1 1 A 17 17 GLY HA2 H 17 3.230 3.712 -0.482 1
1 110 . 1 1 1 A 17 17 GLY HA3 H 17 4.040 3.790 0.250 1
1 111 . 1 1 1 A 18 18 TYR H H 18 8.200 7.928 0.272 1
1 112 . 1 1 1 A 18 18 TYR HA H 18 4.700 5.358 -0.658 1
1 119 . 1 1 1 A 19 19 ASN H H 19 8.980 9.466 -0.486 1
1 120 . 1 1 1 A 19 19 ASN HA H 19 4.970 5.462 -0.492 1
1 125 . 1 1 1 A 20 20 CYS H H 20 8.680 8.935 -0.255 1
1 126 . 1 1 1 A 20 20 CYS HA H 20 4.870 5.437 -0.567 1
1 129 . 1 1 1 A 21 21 VAL H H 21 9.000 8.745 0.255 1
1 130 . 1 1 1 A 21 21 VAL HA H 21 4.310 4.750 -0.440 1
1 138 . 1 1 1 A 22 22 TYR H H 22 8.790 9.054 -0.264 1
1 139 . 1 1 1 A 22 22 TYR HA H 22 4.570 4.647 -0.077 1
1 146 . 1 1 1 A 23 23 ALA H H 23 7.970 8.258 -0.288 1
1 147 . 1 1 1 A 23 23 ALA HA H 23 4.410 3.530 0.880 1
1 151 . 1 1 1 A 24 24 TRP H H 24 8.100 7.593 0.507 1
1 152 . 1 1 1 A 24 24 TRP HA H 24 4.130 3.692 0.438 1
1 158 . 1 1 1 A 25 25 TYR H H 25 6.980 6.331 0.649 1
1 159 . 1 1 1 A 25 25 TYR HA H 25 3.950 3.493 0.457 1
1 166 . 1 1 1 A 26 26 ASN H H 26 6.900 7.323 -0.423 1
1 167 . 1 1 1 A 26 26 ASN HA H 26 4.650 4.828 -0.178 1
1 172 . 1 1 1 A 27 27 GLN H H 27 7.780 7.560 0.220 1
1 173 . 1 1 1 A 27 27 GLN HA H 27 3.860 4.003 -0.143 1
1 180 . 1 1 1 A 28 28 GLN H H 28 7.540 8.902 -1.362 1
1 181 . 1 1 1 A 28 28 GLN HA H 28 4.620 4.571 0.049 1
1 186 . 1 1 1 A 29 29 SER H H 29 8.480 9.281 -0.801 1
1 187 . 1 1 1 A 29 29 SER HA H 29 5.300 5.618 -0.318 1
1 190 . 1 1 1 A 30 30 SER H H 30 8.540 8.877 -0.337 1
1 191 . 1 1 1 A 30 30 SER HA H 30 5.310 5.361 -0.051 1
1 194 . 1 1 1 A 31 31 CYS H H 31 9.100 8.751 0.349 1
1 195 . 1 1 1 A 31 31 CYS HA H 31 5.340 5.506 -0.166 1
1 198 . 1 1 1 A 32 32 GLU H H 32 9.550 9.087 0.463 1
1 199 . 1 1 1 A 32 32 GLU HA H 32 4.960 5.162 -0.202 1
1 204 . 1 1 1 A 33 33 ARG H H 33 9.310 8.685 0.625 1
1 205 . 1 1 1 A 33 33 ARG HA H 33 3.810 4.390 -0.580 1
1 213 . 1 1 1 A 34 34 LYS H H 34 8.240 8.247 -0.007 1
1 214 . 1 1 1 A 34 34 LYS HA H 34 4.160 4.454 -0.294 1
1 226 . 1 1 1 A 35 35 TRP H H 35 7.850 8.626 -0.776 1
1 227 . 1 1 1 A 35 35 TRP HA H 35 4.690 4.761 -0.071 1
1 235 . 1 1 1 A 36 36 LYS H H 36 8.360 8.451 -0.091 1
1 236 . 1 1 1 A 36 36 LYS HA H 36 3.970 4.086 -0.116 1
1 248 . 1 1 1 A 37 37 TYR H H 37 7.750 7.990 -0.240 1
1 249 . 1 1 1 A 37 37 TYR HA H 37 4.520 4.679 -0.159 1
1 254 . 1 1 1 A 38 38 LEU H H 38 8.020 7.451 0.569 1
1 255 . 1 1 1 A 38 38 LEU HA H 38 4.200 5.036 -0.836 1
1 265 . 1 1 1 A 39 39 PHE H H 39 7.890 9.024 -1.134 1
1 266 . 1 1 1 A 39 39 PHE HA H 39 4.530 4.269 0.261 1
1 271 . 1 1 1 A 40 40 THR H H 40 8.060 8.774 -0.714 1
1 272 . 1 1 1 A 40 40 THR HA H 40 4.170 4.194 -0.024 1
1 274 . 1 1 1 A 41 41 GLY H H 41 7.500 8.150 -0.650 1
1 275 . 1 1 1 A 41 41 GLY HA2 H 41 3.700 4.138 -0.438 1
1 276 . 1 1 1 A 41 41 GLY HA3 H 41 3.910 4.163 -0.253 1
1 277 . 1 1 1 A 42 42 GLU H H 42 7.880 8.612 -0.732 1
1 278 . 1 1 1 A 42 42 GLU HA H 42 4.350 4.113 0.237 1
1 4 . 2 1 1 A 2 2 GLY H H 2 8.950 8.634 0.316 1
1 5 . 2 1 1 A 2 2 GLY HA2 H 2 3.740 3.855 -0.115 1
1 6 . 2 1 1 A 2 2 GLY HA3 H 2 4.140 3.915 0.225 1
1 7 . 2 1 1 A 3 3 SER H H 3 8.270 8.376 -0.106 1
1 8 . 2 1 1 A 3 3 SER HA H 3 3.470 4.134 -0.664 1
1 11 . 2 1 1 A 4 4 LYS H H 4 7.160 7.278 -0.118 1
1 12 . 2 1 1 A 4 4 LYS HA H 4 3.690 3.572 0.118 1
1 22 . 2 1 1 A 5 5 ARG H H 5 8.770 8.542 0.228 1
1 23 . 2 1 1 A 5 5 ARG HA H 5 3.660 3.858 -0.198 1
1 31 . 2 1 1 A 6 6 ALA H H 6 8.160 7.565 0.595 1
1 32 . 2 1 1 A 6 6 ALA HA H 6 4.160 4.735 -0.575 1
1 36 . 2 1 1 A 7 7 TRP H H 7 8.320 8.707 -0.387 1
1 37 . 2 1 1 A 7 7 TRP HA H 7 4.600 5.372 -0.772 1
1 43 . 2 1 1 A 8 8 CYS H H 8 7.140 7.718 -0.578 1
1 44 . 2 1 1 A 8 8 CYS HA H 8 4.390 4.599 -0.209 1
1 47 . 2 1 1 A 9 9 LYS H H 9 8.640 8.445 0.195 1
1 48 . 2 1 1 A 9 9 LYS HA H 9 4.280 4.072 0.208 1
1 60 . 2 1 1 A 10 10 GLU H H 10 8.010 7.535 0.475 1
1 61 . 2 1 1 A 10 10 GLU HA H 10 4.690 4.772 -0.082 1
1 66 . 2 1 1 A 11 11 LYS H H 11 8.970 8.649 0.321 1
1 67 . 2 1 1 A 11 11 LYS HA H 11 3.780 3.866 -0.086 1
1 79 . 2 1 1 A 12 12 LYS H H 12 8.270 7.835 0.435 1
1 80 . 2 1 1 A 12 12 LYS HA H 12 4.310 4.094 0.216 1
1 92 . 2 1 1 A 13 13 ASP H H 13 7.840 8.017 -0.177 1
1 93 . 2 1 1 A 13 13 ASP HA H 13 4.590 4.377 0.213 1
1 96 . 2 1 1 A 14 14 CYS H H 14 8.280 7.551 0.729 1
1 97 . 2 1 1 A 14 14 CYS HA H 14 5.190 4.436 0.754 1
1 100 . 2 1 1 A 15 15 CYS H H 15 9.460 8.456 1.004 1
1 101 . 2 1 1 A 15 15 CYS HA H 15 4.620 4.365 0.255 1
1 104 . 2 1 1 A 16 16 CYS H H 16 8.720 8.566 0.154 1
1 105 . 2 1 1 A 16 16 CYS HA H 16 4.470 4.142 0.328 1
1 108 . 2 1 1 A 17 17 GLY H H 17 9.330 8.713 0.617 1
1 109 . 2 1 1 A 17 17 GLY HA2 H 17 3.230 3.626 -0.396 1
1 110 . 2 1 1 A 17 17 GLY HA3 H 17 4.040 3.767 0.273 1
1 111 . 2 1 1 A 18 18 TYR H H 18 8.200 7.765 0.435 1
1 112 . 2 1 1 A 18 18 TYR HA H 18 4.700 5.013 -0.313 1
1 119 . 2 1 1 A 19 19 ASN H H 19 8.980 8.939 0.041 1
1 120 . 2 1 1 A 19 19 ASN HA H 19 4.970 5.307 -0.337 1
1 125 . 2 1 1 A 20 20 CYS H H 20 8.680 8.865 -0.185 1
1 126 . 2 1 1 A 20 20 CYS HA H 20 4.870 5.011 -0.141 1
1 129 . 2 1 1 A 21 21 VAL H H 21 9.000 8.757 0.243 1
1 130 . 2 1 1 A 21 21 VAL HA H 21 4.310 4.660 -0.350 1
1 138 . 2 1 1 A 22 22 TYR H H 22 8.790 8.975 -0.185 1
1 139 . 2 1 1 A 22 22 TYR HA H 22 4.570 4.671 -0.101 1
1 146 . 2 1 1 A 23 23 ALA H H 23 7.970 7.700 0.270 1
1 147 . 2 1 1 A 23 23 ALA HA H 23 4.410 3.747 0.663 1
1 151 . 2 1 1 A 24 24 TRP H H 24 8.100 7.973 0.127 1
1 152 . 2 1 1 A 24 24 TRP HA H 24 4.130 4.794 -0.664 1
1 158 . 2 1 1 A 25 25 TYR H H 25 6.980 7.689 -0.709 1
1 159 . 2 1 1 A 25 25 TYR HA H 25 3.950 4.634 -0.684 1
1 166 . 2 1 1 A 26 26 ASN H H 26 6.900 7.974 -1.074 1
1 167 . 2 1 1 A 26 26 ASN HA H 26 4.650 4.871 -0.221 1
1 172 . 2 1 1 A 27 27 GLN H H 27 7.780 8.042 -0.262 1
1 173 . 2 1 1 A 27 27 GLN HA H 27 3.860 3.896 -0.036 1
1 180 . 2 1 1 A 28 28 GLN H H 28 7.540 7.390 0.150 1
1 181 . 2 1 1 A 28 28 GLN HA H 28 4.620 5.042 -0.422 1
1 186 . 2 1 1 A 29 29 SER H H 29 8.480 9.013 -0.533 1
1 187 . 2 1 1 A 29 29 SER HA H 29 5.300 5.357 -0.057 1
1 190 . 2 1 1 A 30 30 SER H H 30 8.540 8.695 -0.155 1
1 191 . 2 1 1 A 30 30 SER HA H 30 5.310 5.245 0.065 1
1 194 . 2 1 1 A 31 31 CYS H H 31 9.100 8.688 0.412 1
1 195 . 2 1 1 A 31 31 CYS HA H 31 5.340 5.083 0.257 1
1 198 . 2 1 1 A 32 32 GLU H H 32 9.550 9.458 0.092 1
1 199 . 2 1 1 A 32 32 GLU HA H 32 4.960 5.122 -0.162 1
1 204 . 2 1 1 A 33 33 ARG H H 33 9.310 8.699 0.611 1
1 205 . 2 1 1 A 33 33 ARG HA H 33 3.810 4.150 -0.340 1
1 213 . 2 1 1 A 34 34 LYS H H 34 8.240 8.328 -0.088 1
1 214 . 2 1 1 A 34 34 LYS HA H 34 4.160 4.191 -0.031 1
1 226 . 2 1 1 A 35 35 TRP H H 35 7.850 7.704 0.146 1
1 227 . 2 1 1 A 35 35 TRP HA H 35 4.690 4.141 0.549 1
1 235 . 2 1 1 A 36 36 LYS H H 36 8.360 8.759 -0.399 1
1 236 . 2 1 1 A 36 36 LYS HA H 36 3.970 3.999 -0.029 1
1 248 . 2 1 1 A 37 37 TYR H H 37 7.750 7.374 0.376 1
1 249 . 2 1 1 A 37 37 TYR HA H 37 4.520 4.856 -0.336 1
1 254 . 2 1 1 A 38 38 LEU H H 38 8.020 8.517 -0.497 1
1 255 . 2 1 1 A 38 38 LEU HA H 38 4.200 4.323 -0.123 1
1 265 . 2 1 1 A 39 39 PHE H H 39 7.890 8.711 -0.821 1
1 266 . 2 1 1 A 39 39 PHE HA H 39 4.530 4.168 0.362 1
1 271 . 2 1 1 A 40 40 THR H H 40 8.060 8.141 -0.081 1
1 272 . 2 1 1 A 40 40 THR HA H 40 4.170 4.940 -0.770 1
1 274 . 2 1 1 A 41 41 GLY H H 41 7.500 8.710 -1.210 1
1 275 . 2 1 1 A 41 41 GLY HA2 H 41 3.700 3.976 -0.276 1
1 276 . 2 1 1 A 41 41 GLY HA3 H 41 3.910 3.978 -0.068 1
1 277 . 2 1 1 A 42 42 GLU H H 42 7.880 8.723 -0.843 1
1 278 . 2 1 1 A 42 42 GLU HA H 42 4.350 4.278 0.072 1
1 4 . 3 1 1 A 2 2 GLY H H 2 8.950 8.558 0.392 1
1 5 . 3 1 1 A 2 2 GLY HA2 H 2 3.740 3.845 -0.105 1
1 6 . 3 1 1 A 2 2 GLY HA3 H 2 4.140 3.854 0.286 1
1 7 . 3 1 1 A 3 3 SER H H 3 8.270 8.418 -0.148 1
1 8 . 3 1 1 A 3 3 SER HA H 3 3.470 3.631 -0.161 1
1 11 . 3 1 1 A 4 4 LYS H H 4 7.160 8.027 -0.867 1
1 12 . 3 1 1 A 4 4 LYS HA H 4 3.690 4.154 -0.464 1
1 22 . 3 1 1 A 5 5 ARG H H 5 8.770 9.308 -0.538 1
1 23 . 3 1 1 A 5 5 ARG HA H 5 3.660 4.082 -0.422 1
1 31 . 3 1 1 A 6 6 ALA H H 6 8.160 7.879 0.281 1
1 32 . 3 1 1 A 6 6 ALA HA H 6 4.160 4.874 -0.714 1
1 36 . 3 1 1 A 7 7 TRP H H 7 8.320 8.784 -0.464 1
1 37 . 3 1 1 A 7 7 TRP HA H 7 4.600 5.320 -0.720 1
1 43 . 3 1 1 A 8 8 CYS H H 8 7.140 8.084 -0.944 1
1 44 . 3 1 1 A 8 8 CYS HA H 8 4.390 4.802 -0.412 1
1 47 . 3 1 1 A 9 9 LYS H H 9 8.640 9.148 -0.508 1
1 48 . 3 1 1 A 9 9 LYS HA H 9 4.280 4.594 -0.314 1
1 60 . 3 1 1 A 10 10 GLU H H 10 8.010 7.608 0.402 1
1 61 . 3 1 1 A 10 10 GLU HA H 10 4.690 4.793 -0.103 1
1 66 . 3 1 1 A 11 11 LYS H H 11 8.970 8.644 0.326 1
1 67 . 3 1 1 A 11 11 LYS HA H 11 3.780 3.826 -0.046 1
1 79 . 3 1 1 A 12 12 LYS H H 12 8.270 7.841 0.429 1
1 80 . 3 1 1 A 12 12 LYS HA H 12 4.310 4.091 0.219 1
1 92 . 3 1 1 A 13 13 ASP H H 13 7.840 8.047 -0.207 1
1 93 . 3 1 1 A 13 13 ASP HA H 13 4.590 4.322 0.268 1
1 96 . 3 1 1 A 14 14 CYS H H 14 8.280 7.684 0.596 1
1 97 . 3 1 1 A 14 14 CYS HA H 14 5.190 4.486 0.704 1
1 100 . 3 1 1 A 15 15 CYS H H 15 9.460 8.020 1.440 1
1 101 . 3 1 1 A 15 15 CYS HA H 15 4.620 4.284 0.336 1
1 104 . 3 1 1 A 16 16 CYS H H 16 8.720 8.604 0.116 1
1 105 . 3 1 1 A 16 16 CYS HA H 16 4.470 4.181 0.289 1
1 108 . 3 1 1 A 17 17 GLY H H 17 9.330 8.884 0.446 1
1 109 . 3 1 1 A 17 17 GLY HA2 H 17 3.230 3.544 -0.314 1
1 110 . 3 1 1 A 17 17 GLY HA3 H 17 4.040 3.705 0.335 1
1 111 . 3 1 1 A 18 18 TYR H H 18 8.200 7.834 0.366 1
1 112 . 3 1 1 A 18 18 TYR HA H 18 4.700 4.909 -0.209 1
1 119 . 3 1 1 A 19 19 ASN H H 19 8.980 8.622 0.358 1
1 120 . 3 1 1 A 19 19 ASN HA H 19 4.970 5.123 -0.153 1
1 125 . 3 1 1 A 20 20 CYS H H 20 8.680 8.489 0.191 1
1 126 . 3 1 1 A 20 20 CYS HA H 20 4.870 4.957 -0.087 1
1 129 . 3 1 1 A 21 21 VAL H H 21 9.000 8.475 0.525 1
1 130 . 3 1 1 A 21 21 VAL HA H 21 4.310 4.451 -0.141 1
1 138 . 3 1 1 A 22 22 TYR H H 22 8.790 8.951 -0.161 1
1 139 . 3 1 1 A 22 22 TYR HA H 22 4.570 5.084 -0.514 1
1 146 . 3 1 1 A 23 23 ALA H H 23 7.970 8.230 -0.260 1
1 147 . 3 1 1 A 23 23 ALA HA H 23 4.410 4.561 -0.151 1
1 151 . 3 1 1 A 24 24 TRP H H 24 8.100 8.300 -0.200 1
1 152 . 3 1 1 A 24 24 TRP HA H 24 4.130 4.073 0.057 1
1 158 . 3 1 1 A 25 25 TYR H H 25 6.980 7.498 -0.518 1
1 159 . 3 1 1 A 25 25 TYR HA H 25 3.950 4.452 -0.502 1
1 166 . 3 1 1 A 26 26 ASN H H 26 6.900 9.600 -2.700 1
1 167 . 3 1 1 A 26 26 ASN HA H 26 4.650 4.441 0.209 1
1 172 . 3 1 1 A 27 27 GLN H H 27 7.780 8.415 -0.635 1
1 173 . 3 1 1 A 27 27 GLN HA H 27 3.860 3.881 -0.021 1
1 180 . 3 1 1 A 28 28 GLN H H 28 7.540 7.398 0.142 1
1 181 . 3 1 1 A 28 28 GLN HA H 28 4.620 4.952 -0.332 1
1 186 . 3 1 1 A 29 29 SER H H 29 8.480 8.849 -0.369 1
1 187 . 3 1 1 A 29 29 SER HA H 29 5.300 5.701 -0.401 1
1 190 . 3 1 1 A 30 30 SER H H 30 8.540 8.687 -0.147 1
1 191 . 3 1 1 A 30 30 SER HA H 30 5.310 5.274 0.036 1
1 194 . 3 1 1 A 31 31 CYS H H 31 9.100 9.563 -0.463 1
1 195 . 3 1 1 A 31 31 CYS HA H 31 5.340 5.121 0.219 1
1 198 . 3 1 1 A 32 32 GLU H H 32 9.550 8.816 0.734 1
1 199 . 3 1 1 A 32 32 GLU HA H 32 4.960 5.002 -0.042 1
1 204 . 3 1 1 A 33 33 ARG H H 33 9.310 8.823 0.487 1
1 205 . 3 1 1 A 33 33 ARG HA H 33 3.810 4.208 -0.398 1
1 213 . 3 1 1 A 34 34 LYS H H 34 8.240 8.134 0.106 1
1 214 . 3 1 1 A 34 34 LYS HA H 34 4.160 4.652 -0.492 1
1 226 . 3 1 1 A 35 35 TRP H H 35 7.850 8.076 -0.226 1
1 227 . 3 1 1 A 35 35 TRP HA H 35 4.690 5.123 -0.433 1
1 235 . 3 1 1 A 36 36 LYS H H 36 8.360 8.567 -0.207 1
1 236 . 3 1 1 A 36 36 LYS HA H 36 3.970 4.304 -0.334 1
1 248 . 3 1 1 A 37 37 TYR H H 37 7.750 9.166 -1.416 1
1 249 . 3 1 1 A 37 37 TYR HA H 37 4.520 4.921 -0.401 1
1 254 . 3 1 1 A 38 38 LEU H H 38 8.020 7.773 0.247 1
1 255 . 3 1 1 A 38 38 LEU HA H 38 4.200 4.190 0.010 1
1 265 . 3 1 1 A 39 39 PHE H H 39 7.890 7.662 0.228 1
1 266 . 3 1 1 A 39 39 PHE HA H 39 4.530 4.732 -0.202 1
1 271 . 3 1 1 A 40 40 THR H H 40 8.060 7.983 0.077 1
1 272 . 3 1 1 A 40 40 THR HA H 40 4.170 4.318 -0.148 1
1 274 . 3 1 1 A 41 41 GLY H H 41 7.500 7.768 -0.268 1
1 275 . 3 1 1 A 41 41 GLY HA2 H 41 3.700 3.625 0.075 1
1 276 . 3 1 1 A 41 41 GLY HA3 H 41 3.910 3.755 0.155 1
1 277 . 3 1 1 A 42 42 GLU H H 42 7.880 8.539 -0.659 1
1 278 . 3 1 1 A 42 42 GLU HA H 42 4.350 4.089 0.261 1
1 4 . 4 1 1 A 2 2 GLY H H 2 8.950 8.131 0.819 1
1 5 . 4 1 1 A 2 2 GLY HA2 H 2 3.740 3.808 -0.068 1
1 6 . 4 1 1 A 2 2 GLY HA3 H 2 4.140 3.845 0.295 1
1 7 . 4 1 1 A 3 3 SER H H 3 8.270 8.533 -0.263 1
1 8 . 4 1 1 A 3 3 SER HA H 3 3.470 4.061 -0.591 1
1 11 . 4 1 1 A 4 4 LYS H H 4 7.160 7.852 -0.692 1
1 12 . 4 1 1 A 4 4 LYS HA H 4 3.690 3.775 -0.085 1
1 22 . 4 1 1 A 5 5 ARG H H 5 8.770 8.324 0.446 1
1 23 . 4 1 1 A 5 5 ARG HA H 5 3.660 3.877 -0.217 1
1 31 . 4 1 1 A 6 6 ALA H H 6 8.160 7.668 0.492 1
1 32 . 4 1 1 A 6 6 ALA HA H 6 4.160 4.626 -0.466 1
1 36 . 4 1 1 A 7 7 TRP H H 7 8.320 8.746 -0.426 1
1 37 . 4 1 1 A 7 7 TRP HA H 7 4.600 5.175 -0.575 1
1 43 . 4 1 1 A 8 8 CYS H H 8 7.140 8.092 -0.952 1
1 44 . 4 1 1 A 8 8 CYS HA H 8 4.390 4.752 -0.362 1
1 47 . 4 1 1 A 9 9 LYS H H 9 8.640 8.464 0.176 1
1 48 . 4 1 1 A 9 9 LYS HA H 9 4.280 4.377 -0.097 1
1 60 . 4 1 1 A 10 10 GLU H H 10 8.010 7.758 0.252 1
1 61 . 4 1 1 A 10 10 GLU HA H 10 4.690 4.815 -0.125 1
1 66 . 4 1 1 A 11 11 LYS H H 11 8.970 8.726 0.244 1
1 67 . 4 1 1 A 11 11 LYS HA H 11 3.780 4.061 -0.281 1
1 79 . 4 1 1 A 12 12 LYS H H 12 8.270 8.273 -0.003 1
1 80 . 4 1 1 A 12 12 LYS HA H 12 4.310 4.193 0.117 1
1 92 . 4 1 1 A 13 13 ASP H H 13 7.840 8.345 -0.505 1
1 93 . 4 1 1 A 13 13 ASP HA H 13 4.590 4.619 -0.029 1
1 96 . 4 1 1 A 14 14 CYS H H 14 8.280 7.515 0.765 1
1 97 . 4 1 1 A 14 14 CYS HA H 14 5.190 4.665 0.525 1
1 100 . 4 1 1 A 15 15 CYS H H 15 9.460 8.958 0.502 1
1 101 . 4 1 1 A 15 15 CYS HA H 15 4.620 4.346 0.274 1
1 104 . 4 1 1 A 16 16 CYS H H 16 8.720 8.599 0.121 1
1 105 . 4 1 1 A 16 16 CYS HA H 16 4.470 4.146 0.324 1
1 108 . 4 1 1 A 17 17 GLY H H 17 9.330 8.806 0.524 1
1 109 . 4 1 1 A 17 17 GLY HA2 H 17 3.230 3.705 -0.475 1
1 110 . 4 1 1 A 17 17 GLY HA3 H 17 4.040 3.894 0.146 1
1 111 . 4 1 1 A 18 18 TYR H H 18 8.200 8.073 0.127 1
1 112 . 4 1 1 A 18 18 TYR HA H 18 4.700 5.067 -0.367 1
1 119 . 4 1 1 A 19 19 ASN H H 19 8.980 8.863 0.117 1
1 120 . 4 1 1 A 19 19 ASN HA H 19 4.970 5.261 -0.291 1
1 125 . 4 1 1 A 20 20 CYS H H 20 8.680 8.479 0.201 1
1 126 . 4 1 1 A 20 20 CYS HA H 20 4.870 5.220 -0.350 1
1 129 . 4 1 1 A 21 21 VAL H H 21 9.000 8.501 0.499 1
1 130 . 4 1 1 A 21 21 VAL HA H 21 4.310 4.428 -0.118 1
1 138 . 4 1 1 A 22 22 TYR H H 22 8.790 8.915 -0.125 1
1 139 . 4 1 1 A 22 22 TYR HA H 22 4.570 4.912 -0.342 1
1 146 . 4 1 1 A 23 23 ALA H H 23 7.970 7.780 0.190 1
1 147 . 4 1 1 A 23 23 ALA HA H 23 4.410 3.695 0.715 1
1 151 . 4 1 1 A 24 24 TRP H H 24 8.100 6.878 1.222 1
1 152 . 4 1 1 A 24 24 TRP HA H 24 4.130 4.364 -0.234 1
1 158 . 4 1 1 A 25 25 TYR H H 25 6.980 7.215 -0.235 1
1 159 . 4 1 1 A 25 25 TYR HA H 25 3.950 4.755 -0.805 1
1 166 . 4 1 1 A 26 26 ASN H H 26 6.900 9.211 -2.311 1
1 167 . 4 1 1 A 26 26 ASN HA H 26 4.650 4.585 0.065 1
1 172 . 4 1 1 A 27 27 GLN H H 27 7.780 8.479 -0.699 1
1 173 . 4 1 1 A 27 27 GLN HA H 27 3.860 4.120 -0.260 1
1 180 . 4 1 1 A 28 28 GLN H H 28 7.540 8.550 -1.010 1
1 181 . 4 1 1 A 28 28 GLN HA H 28 4.620 4.017 0.603 1
1 186 . 4 1 1 A 29 29 SER H H 29 8.480 9.064 -0.584 1
1 187 . 4 1 1 A 29 29 SER HA H 29 5.300 5.028 0.272 1
1 190 . 4 1 1 A 30 30 SER H H 30 8.540 8.643 -0.103 1
1 191 . 4 1 1 A 30 30 SER HA H 30 5.310 5.112 0.198 1
1 194 . 4 1 1 A 31 31 CYS H H 31 9.100 8.985 0.115 1
1 195 . 4 1 1 A 31 31 CYS HA H 31 5.340 5.468 -0.128 1
1 198 . 4 1 1 A 32 32 GLU H H 32 9.550 8.797 0.753 1
1 199 . 4 1 1 A 32 32 GLU HA H 32 4.960 5.104 -0.144 1
1 204 . 4 1 1 A 33 33 ARG H H 33 9.310 8.900 0.410 1
1 205 . 4 1 1 A 33 33 ARG HA H 33 3.810 4.314 -0.504 1
1 213 . 4 1 1 A 34 34 LYS H H 34 8.240 8.759 -0.519 1
1 214 . 4 1 1 A 34 34 LYS HA H 34 4.160 4.257 -0.097 1
1 226 . 4 1 1 A 35 35 TRP H H 35 7.850 7.436 0.414 1
1 227 . 4 1 1 A 35 35 TRP HA H 35 4.690 4.795 -0.105 1
1 235 . 4 1 1 A 36 36 LYS H H 36 8.360 8.608 -0.248 1
1 236 . 4 1 1 A 36 36 LYS HA H 36 3.970 3.903 0.067 1
1 248 . 4 1 1 A 37 37 TYR H H 37 7.750 7.119 0.631 1
1 249 . 4 1 1 A 37 37 TYR HA H 37 4.520 4.613 -0.093 1
1 254 . 4 1 1 A 38 38 LEU H H 38 8.020 8.004 0.016 1
1 255 . 4 1 1 A 38 38 LEU HA H 38 4.200 4.071 0.129 1
1 265 . 4 1 1 A 39 39 PHE H H 39 7.890 7.648 0.242 1
1 266 . 4 1 1 A 39 39 PHE HA H 39 4.530 4.315 0.215 1
1 271 . 4 1 1 A 40 40 THR H H 40 8.060 8.945 -0.885 1
1 272 . 4 1 1 A 40 40 THR HA H 40 4.170 4.030 0.140 1
1 274 . 4 1 1 A 41 41 GLY H H 41 7.500 8.274 -0.774 1
1 275 . 4 1 1 A 41 41 GLY HA2 H 41 3.700 3.747 -0.047 1
1 276 . 4 1 1 A 41 41 GLY HA3 H 41 3.910 3.809 0.101 1
1 277 . 4 1 1 A 42 42 GLU H H 42 7.880 7.753 0.127 1
1 278 . 4 1 1 A 42 42 GLU HA H 42 4.350 4.625 -0.275 1
1 4 . 5 1 1 A 2 2 GLY H H 2 8.950 8.045 0.905 1
1 5 . 5 1 1 A 2 2 GLY HA2 H 2 3.740 3.882 -0.142 1
1 6 . 5 1 1 A 2 2 GLY HA3 H 2 4.140 3.934 0.206 1
1 7 . 5 1 1 A 3 3 SER H H 3 8.270 8.431 -0.161 1
1 8 . 5 1 1 A 3 3 SER HA H 3 3.470 4.290 -0.820 1
1 11 . 5 1 1 A 4 4 LYS H H 4 7.160 7.837 -0.677 1
1 12 . 5 1 1 A 4 4 LYS HA H 4 3.690 3.355 0.335 1
1 22 . 5 1 1 A 5 5 ARG H H 5 8.770 8.338 0.432 1
1 23 . 5 1 1 A 5 5 ARG HA H 5 3.660 3.886 -0.226 1
1 31 . 5 1 1 A 6 6 ALA H H 6 8.160 7.608 0.552 1
1 32 . 5 1 1 A 6 6 ALA HA H 6 4.160 4.833 -0.673 1
1 36 . 5 1 1 A 7 7 TRP H H 7 8.320 8.618 -0.298 1
1 37 . 5 1 1 A 7 7 TRP HA H 7 4.600 5.241 -0.641 1
1 43 . 5 1 1 A 8 8 CYS H H 8 7.140 7.972 -0.832 1
1 44 . 5 1 1 A 8 8 CYS HA H 8 4.390 4.630 -0.240 1
1 47 . 5 1 1 A 9 9 LYS H H 9 8.640 8.381 0.259 1
1 48 . 5 1 1 A 9 9 LYS HA H 9 4.280 4.163 0.117 1
1 60 . 5 1 1 A 10 10 GLU H H 10 8.010 7.724 0.286 1
1 61 . 5 1 1 A 10 10 GLU HA H 10 4.690 4.751 -0.061 1
1 66 . 5 1 1 A 11 11 LYS H H 11 8.970 8.651 0.319 1
1 67 . 5 1 1 A 11 11 LYS HA H 11 3.780 3.878 -0.098 1
1 79 . 5 1 1 A 12 12 LYS H H 12 8.270 7.836 0.434 1
1 80 . 5 1 1 A 12 12 LYS HA H 12 4.310 4.044 0.266 1
1 92 . 5 1 1 A 13 13 ASP H H 13 7.840 7.969 -0.129 1
1 93 . 5 1 1 A 13 13 ASP HA H 13 4.590 4.358 0.232 1
1 96 . 5 1 1 A 14 14 CYS H H 14 8.280 7.130 1.150 1
1 97 . 5 1 1 A 14 14 CYS HA H 14 5.190 4.576 0.614 1
1 100 . 5 1 1 A 15 15 CYS H H 15 9.460 8.784 0.676 1
1 101 . 5 1 1 A 15 15 CYS HA H 15 4.620 4.330 0.290 1
1 104 . 5 1 1 A 16 16 CYS H H 16 8.720 8.624 0.096 1
1 105 . 5 1 1 A 16 16 CYS HA H 16 4.470 4.149 0.321 1
1 108 . 5 1 1 A 17 17 GLY H H 17 9.330 8.890 0.440 1
1 109 . 5 1 1 A 17 17 GLY HA2 H 17 3.230 3.787 -0.557 1
1 110 . 5 1 1 A 17 17 GLY HA3 H 17 4.040 3.903 0.137 1
1 111 . 5 1 1 A 18 18 TYR H H 18 8.200 7.911 0.289 1
1 112 . 5 1 1 A 18 18 TYR HA H 18 4.700 5.097 -0.397 1
1 119 . 5 1 1 A 19 19 ASN H H 19 8.980 8.985 -0.005 1
1 120 . 5 1 1 A 19 19 ASN HA H 19 4.970 5.091 -0.121 1
1 125 . 5 1 1 A 20 20 CYS H H 20 8.680 8.486 0.194 1
1 126 . 5 1 1 A 20 20 CYS HA H 20 4.870 5.288 -0.418 1
1 129 . 5 1 1 A 21 21 VAL H H 21 9.000 8.337 0.663 1
1 130 . 5 1 1 A 21 21 VAL HA H 21 4.310 4.888 -0.578 1
1 138 . 5 1 1 A 22 22 TYR H H 22 8.790 8.967 -0.177 1
1 139 . 5 1 1 A 22 22 TYR HA H 22 4.570 5.145 -0.575 1
1 146 . 5 1 1 A 23 23 ALA H H 23 7.970 8.076 -0.106 1
1 147 . 5 1 1 A 23 23 ALA HA H 23 4.410 4.374 0.036 1
1 151 . 5 1 1 A 24 24 TRP H H 24 8.100 8.552 -0.452 1
1 152 . 5 1 1 A 24 24 TRP HA H 24 4.130 4.516 -0.386 1
1 158 . 5 1 1 A 25 25 TYR H H 25 6.980 6.661 0.319 1
1 159 . 5 1 1 A 25 25 TYR HA H 25 3.950 4.576 -0.626 1
1 166 . 5 1 1 A 26 26 ASN H H 26 6.900 9.025 -2.125 1
1 167 . 5 1 1 A 26 26 ASN HA H 26 4.650 4.462 0.188 1
1 172 . 5 1 1 A 27 27 GLN H H 27 7.780 8.270 -0.490 1
1 173 . 5 1 1 A 27 27 GLN HA H 27 3.860 3.469 0.391 1
1 180 . 5 1 1 A 28 28 GLN H H 28 7.540 7.349 0.191 1
1 181 . 5 1 1 A 28 28 GLN HA H 28 4.620 4.778 -0.158 1
1 186 . 5 1 1 A 29 29 SER H H 29 8.480 8.906 -0.426 1
1 187 . 5 1 1 A 29 29 SER HA H 29 5.300 5.255 0.045 1
1 190 . 5 1 1 A 30 30 SER H H 30 8.540 9.010 -0.470 1
1 191 . 5 1 1 A 30 30 SER HA H 30 5.310 5.245 0.065 1
1 194 . 5 1 1 A 31 31 CYS H H 31 9.100 9.134 -0.034 1
1 195 . 5 1 1 A 31 31 CYS HA H 31 5.340 5.180 0.160 1
1 198 . 5 1 1 A 32 32 GLU H H 32 9.550 9.371 0.179 1
1 199 . 5 1 1 A 32 32 GLU HA H 32 4.960 5.196 -0.236 1
1 204 . 5 1 1 A 33 33 ARG H H 33 9.310 9.125 0.185 1
1 205 . 5 1 1 A 33 33 ARG HA H 33 3.810 4.387 -0.577 1
1 213 . 5 1 1 A 34 34 LYS H H 34 8.240 8.233 0.007 1
1 214 . 5 1 1 A 34 34 LYS HA H 34 4.160 3.752 0.408 1
1 226 . 5 1 1 A 35 35 TRP H H 35 7.850 8.115 -0.265 1
1 227 . 5 1 1 A 35 35 TRP HA H 35 4.690 4.408 0.282 1
1 235 . 5 1 1 A 36 36 LYS H H 36 8.360 8.855 -0.495 1
1 236 . 5 1 1 A 36 36 LYS HA H 36 3.970 3.838 0.132 1
1 248 . 5 1 1 A 37 37 TYR H H 37 7.750 7.484 0.266 1
1 249 . 5 1 1 A 37 37 TYR HA H 37 4.520 4.686 -0.166 1
1 254 . 5 1 1 A 38 38 LEU H H 38 8.020 9.181 -1.161 1
1 255 . 5 1 1 A 38 38 LEU HA H 38 4.200 4.476 -0.276 1
1 265 . 5 1 1 A 39 39 PHE H H 39 7.890 8.771 -0.881 1
1 266 . 5 1 1 A 39 39 PHE HA H 39 4.530 4.826 -0.296 1
1 271 . 5 1 1 A 40 40 THR H H 40 8.060 8.483 -0.423 1
1 272 . 5 1 1 A 40 40 THR HA H 40 4.170 4.535 -0.365 1
1 274 . 5 1 1 A 41 41 GLY H H 41 7.500 8.737 -1.237 1
1 275 . 5 1 1 A 41 41 GLY HA2 H 41 3.700 3.740 -0.040 1
1 276 . 5 1 1 A 41 41 GLY HA3 H 41 3.910 3.764 0.146 1
1 277 . 5 1 1 A 42 42 GLU H H 42 7.880 8.557 -0.677 1
1 278 . 5 1 1 A 42 42 GLU HA H 42 4.350 4.660 -0.310 1
1 4 . 6 1 1 A 2 2 GLY H H 2 8.950 8.750 0.200 1
1 5 . 6 1 1 A 2 2 GLY HA2 H 2 3.740 3.901 -0.161 1
1 6 . 6 1 1 A 2 2 GLY HA3 H 2 4.140 3.940 0.200 1
1 7 . 6 1 1 A 3 3 SER H H 3 8.270 8.644 -0.374 1
1 8 . 6 1 1 A 3 3 SER HA H 3 3.470 3.665 -0.195 1
1 11 . 6 1 1 A 4 4 LYS H H 4 7.160 7.479 -0.319 1
1 12 . 6 1 1 A 4 4 LYS HA H 4 3.690 3.998 -0.308 1
1 22 . 6 1 1 A 5 5 ARG H H 5 8.770 8.621 0.149 1
1 23 . 6 1 1 A 5 5 ARG HA H 5 3.660 3.829 -0.169 1
1 31 . 6 1 1 A 6 6 ALA H H 6 8.160 7.615 0.545 1
1 32 . 6 1 1 A 6 6 ALA HA H 6 4.160 4.661 -0.501 1
1 36 . 6 1 1 A 7 7 TRP H H 7 8.320 8.753 -0.433 1
1 37 . 6 1 1 A 7 7 TRP HA H 7 4.600 5.028 -0.428 1
1 43 . 6 1 1 A 8 8 CYS H H 8 7.140 7.476 -0.336 1
1 44 . 6 1 1 A 8 8 CYS HA H 8 4.390 4.895 -0.505 1
1 47 . 6 1 1 A 9 9 LYS H H 9 8.640 9.254 -0.614 1
1 48 . 6 1 1 A 9 9 LYS HA H 9 4.280 4.053 0.227 1
1 60 . 6 1 1 A 10 10 GLU H H 10 8.010 7.515 0.495 1
1 61 . 6 1 1 A 10 10 GLU HA H 10 4.690 4.486 0.204 1
1 66 . 6 1 1 A 11 11 LYS H H 11 8.970 8.568 0.402 1
1 67 . 6 1 1 A 11 11 LYS HA H 11 3.780 3.903 -0.123 1
1 79 . 6 1 1 A 12 12 LYS H H 12 8.270 7.935 0.335 1
1 80 . 6 1 1 A 12 12 LYS HA H 12 4.310 4.073 0.237 1
1 92 . 6 1 1 A 13 13 ASP H H 13 7.840 7.984 -0.144 1
1 93 . 6 1 1 A 13 13 ASP HA H 13 4.590 4.312 0.278 1
1 96 . 6 1 1 A 14 14 CYS H H 14 8.280 7.170 1.110 1
1 97 . 6 1 1 A 14 14 CYS HA H 14 5.190 4.749 0.441 1
1 100 . 6 1 1 A 15 15 CYS H H 15 9.460 8.793 0.667 1
1 101 . 6 1 1 A 15 15 CYS HA H 15 4.620 4.473 0.147 1
1 104 . 6 1 1 A 16 16 CYS H H 16 8.720 8.884 -0.164 1
1 105 . 6 1 1 A 16 16 CYS HA H 16 4.470 4.485 -0.015 1
1 108 . 6 1 1 A 17 17 GLY H H 17 9.330 8.281 1.049 1
1 109 . 6 1 1 A 17 17 GLY HA2 H 17 3.230 3.593 -0.363 1
1 110 . 6 1 1 A 17 17 GLY HA3 H 17 4.040 3.714 0.326 1
1 111 . 6 1 1 A 18 18 TYR H H 18 8.200 7.995 0.205 1
1 112 . 6 1 1 A 18 18 TYR HA H 18 4.700 4.574 0.126 1
1 119 . 6 1 1 A 19 19 ASN H H 19 8.980 8.895 0.085 1
1 120 . 6 1 1 A 19 19 ASN HA H 19 4.970 5.404 -0.434 1
1 125 . 6 1 1 A 20 20 CYS H H 20 8.680 8.955 -0.275 1
1 126 . 6 1 1 A 20 20 CYS HA H 20 4.870 5.098 -0.228 1
1 129 . 6 1 1 A 21 21 VAL H H 21 9.000 8.530 0.470 1
1 130 . 6 1 1 A 21 21 VAL HA H 21 4.310 4.633 -0.323 1
1 138 . 6 1 1 A 22 22 TYR H H 22 8.790 8.874 -0.084 1
1 139 . 6 1 1 A 22 22 TYR HA H 22 4.570 4.481 0.089 1
1 146 . 6 1 1 A 23 23 ALA H H 23 7.970 8.191 -0.221 1
1 147 . 6 1 1 A 23 23 ALA HA H 23 4.410 3.989 0.421 1
1 151 . 6 1 1 A 24 24 TRP H H 24 8.100 7.305 0.795 1
1 152 . 6 1 1 A 24 24 TRP HA H 24 4.130 4.440 -0.310 1
1 158 . 6 1 1 A 25 25 TYR H H 25 6.980 7.992 -1.012 1
1 159 . 6 1 1 A 25 25 TYR HA H 25 3.950 4.512 -0.562 1
1 166 . 6 1 1 A 26 26 ASN H H 26 6.900 7.503 -0.603 1
1 167 . 6 1 1 A 26 26 ASN HA H 26 4.650 5.069 -0.419 1
1 172 . 6 1 1 A 27 27 GLN H H 27 7.780 8.008 -0.228 1
1 173 . 6 1 1 A 27 27 GLN HA H 27 3.860 3.781 0.079 1
1 180 . 6 1 1 A 28 28 GLN H H 28 7.540 7.153 0.387 1
1 181 . 6 1 1 A 28 28 GLN HA H 28 4.620 4.961 -0.341 1
1 186 . 6 1 1 A 29 29 SER H H 29 8.480 8.956 -0.476 1
1 187 . 6 1 1 A 29 29 SER HA H 29 5.300 4.962 0.338 1
1 190 . 6 1 1 A 30 30 SER H H 30 8.540 8.725 -0.185 1
1 191 . 6 1 1 A 30 30 SER HA H 30 5.310 4.742 0.568 1
1 194 . 6 1 1 A 31 31 CYS H H 31 9.100 8.193 0.907 1
1 195 . 6 1 1 A 31 31 CYS HA H 31 5.340 5.086 0.254 1
1 198 . 6 1 1 A 32 32 GLU H H 32 9.550 9.376 0.174 1
1 199 . 6 1 1 A 32 32 GLU HA H 32 4.960 5.049 -0.089 1
1 204 . 6 1 1 A 33 33 ARG H H 33 9.310 9.127 0.183 1
1 205 . 6 1 1 A 33 33 ARG HA H 33 3.810 4.448 -0.638 1
1 213 . 6 1 1 A 34 34 LYS H H 34 8.240 8.987 -0.747 1
1 214 . 6 1 1 A 34 34 LYS HA H 34 4.160 4.592 -0.432 1
1 226 . 6 1 1 A 35 35 TRP H H 35 7.850 8.007 -0.157 1
1 227 . 6 1 1 A 35 35 TRP HA H 35 4.690 5.075 -0.385 1
1 235 . 6 1 1 A 36 36 LYS H H 36 8.360 7.729 0.631 1
1 236 . 6 1 1 A 36 36 LYS HA H 36 3.970 4.246 -0.276 1
1 248 . 6 1 1 A 37 37 TYR H H 37 7.750 9.616 -1.866 1
1 249 . 6 1 1 A 37 37 TYR HA H 37 4.520 4.961 -0.441 1
1 254 . 6 1 1 A 38 38 LEU H H 38 8.020 9.181 -1.161 1
1 255 . 6 1 1 A 38 38 LEU HA H 38 4.200 4.349 -0.149 1
1 265 . 6 1 1 A 39 39 PHE H H 39 7.890 8.695 -0.805 1
1 266 . 6 1 1 A 39 39 PHE HA H 39 4.530 4.649 -0.119 1
1 271 . 6 1 1 A 40 40 THR H H 40 8.060 8.646 -0.586 1
1 272 . 6 1 1 A 40 40 THR HA H 40 4.170 4.605 -0.435 1
1 274 . 6 1 1 A 41 41 GLY H H 41 7.500 8.673 -1.173 1
1 275 . 6 1 1 A 41 41 GLY HA2 H 41 3.700 3.882 -0.182 1
1 276 . 6 1 1 A 41 41 GLY HA3 H 41 3.910 3.886 0.024 1
1 277 . 6 1 1 A 42 42 GLU H H 42 7.880 7.898 -0.018 1
1 278 . 6 1 1 A 42 42 GLU HA H 42 4.350 4.434 -0.084 1
1 4 . 7 1 1 A 2 2 GLY H H 2 8.950 8.677 0.273 1
1 5 . 7 1 1 A 2 2 GLY HA2 H 2 3.740 3.791 -0.051 1
1 6 . 7 1 1 A 2 2 GLY HA3 H 2 4.140 3.860 0.280 1
1 7 . 7 1 1 A 3 3 SER H H 3 8.270 7.868 0.402 1
1 8 . 7 1 1 A 3 3 SER HA H 3 3.470 4.203 -0.733 1
1 11 . 7 1 1 A 4 4 LYS H H 4 7.160 7.152 0.008 1
1 12 . 7 1 1 A 4 4 LYS HA H 4 3.690 3.664 0.026 1
1 22 . 7 1 1 A 5 5 ARG H H 5 8.770 8.940 -0.170 1
1 23 . 7 1 1 A 5 5 ARG HA H 5 3.660 3.884 -0.224 1
1 31 . 7 1 1 A 6 6 ALA H H 6 8.160 7.670 0.490 1
1 32 . 7 1 1 A 6 6 ALA HA H 6 4.160 4.800 -0.640 1
1 36 . 7 1 1 A 7 7 TRP H H 7 8.320 8.684 -0.364 1
1 37 . 7 1 1 A 7 7 TRP HA H 7 4.600 5.686 -1.086 1
1 43 . 7 1 1 A 8 8 CYS H H 8 7.140 7.682 -0.542 1
1 44 . 7 1 1 A 8 8 CYS HA H 8 4.390 4.857 -0.467 1
1 47 . 7 1 1 A 9 9 LYS H H 9 8.640 8.380 0.260 1
1 48 . 7 1 1 A 9 9 LYS HA H 9 4.280 4.013 0.267 1
1 60 . 7 1 1 A 10 10 GLU H H 10 8.010 7.586 0.424 1
1 61 . 7 1 1 A 10 10 GLU HA H 10 4.690 4.790 -0.100 1
1 66 . 7 1 1 A 11 11 LYS H H 11 8.970 8.648 0.322 1
1 67 . 7 1 1 A 11 11 LYS HA H 11 3.780 3.880 -0.100 1
1 79 . 7 1 1 A 12 12 LYS H H 12 8.270 8.093 0.177 1
1 80 . 7 1 1 A 12 12 LYS HA H 12 4.310 4.037 0.273 1
1 92 . 7 1 1 A 13 13 ASP H H 13 7.840 7.977 -0.137 1
1 93 . 7 1 1 A 13 13 ASP HA H 13 4.590 4.404 0.186 1
1 96 . 7 1 1 A 14 14 CYS H H 14 8.280 7.589 0.691 1
1 97 . 7 1 1 A 14 14 CYS HA H 14 5.190 4.469 0.721 1
1 100 . 7 1 1 A 15 15 CYS H H 15 9.460 8.609 0.851 1
1 101 . 7 1 1 A 15 15 CYS HA H 15 4.620 4.437 0.183 1
1 104 . 7 1 1 A 16 16 CYS H H 16 8.720 8.632 0.088 1
1 105 . 7 1 1 A 16 16 CYS HA H 16 4.470 4.319 0.151 1
1 108 . 7 1 1 A 17 17 GLY H H 17 9.330 8.460 0.870 1
1 109 . 7 1 1 A 17 17 GLY HA2 H 17 3.230 3.629 -0.399 1
1 110 . 7 1 1 A 17 17 GLY HA3 H 17 4.040 3.848 0.192 1
1 111 . 7 1 1 A 18 18 TYR H H 18 8.200 7.617 0.583 1
1 112 . 7 1 1 A 18 18 TYR HA H 18 4.700 5.065 -0.365 1
1 119 . 7 1 1 A 19 19 ASN H H 19 8.980 8.801 0.179 1
1 120 . 7 1 1 A 19 19 ASN HA H 19 4.970 5.455 -0.485 1
1 125 . 7 1 1 A 20 20 CYS H H 20 8.680 8.890 -0.210 1
1 126 . 7 1 1 A 20 20 CYS HA H 20 4.870 5.041 -0.171 1
1 129 . 7 1 1 A 21 21 VAL H H 21 9.000 8.411 0.589 1
1 130 . 7 1 1 A 21 21 VAL HA H 21 4.310 4.701 -0.391 1
1 138 . 7 1 1 A 22 22 TYR H H 22 8.790 8.916 -0.126 1
1 139 . 7 1 1 A 22 22 TYR HA H 22 4.570 5.031 -0.461 1
1 146 . 7 1 1 A 23 23 ALA H H 23 7.970 8.129 -0.159 1
1 147 . 7 1 1 A 23 23 ALA HA H 23 4.410 3.665 0.745 1
1 151 . 7 1 1 A 24 24 TRP H H 24 8.100 7.248 0.852 1
1 152 . 7 1 1 A 24 24 TRP HA H 24 4.130 4.315 -0.185 1
1 158 . 7 1 1 A 25 25 TYR H H 25 6.980 7.103 -0.123 1
1 159 . 7 1 1 A 25 25 TYR HA H 25 3.950 4.825 -0.875 1
1 166 . 7 1 1 A 26 26 ASN H H 26 6.900 9.300 -2.400 1
1 167 . 7 1 1 A 26 26 ASN HA H 26 4.650 4.594 0.056 1
1 172 . 7 1 1 A 27 27 GLN H H 27 7.780 8.579 -0.799 1
1 173 . 7 1 1 A 27 27 GLN HA H 27 3.860 3.997 -0.137 1
1 180 . 7 1 1 A 28 28 GLN H H 28 7.540 7.366 0.174 1
1 181 . 7 1 1 A 28 28 GLN HA H 28 4.620 4.892 -0.272 1
1 186 . 7 1 1 A 29 29 SER H H 29 8.480 8.992 -0.512 1
1 187 . 7 1 1 A 29 29 SER HA H 29 5.300 5.324 -0.024 1
1 190 . 7 1 1 A 30 30 SER H H 30 8.540 8.881 -0.341 1
1 191 . 7 1 1 A 30 30 SER HA H 30 5.310 5.508 -0.198 1
1 194 . 7 1 1 A 31 31 CYS H H 31 9.100 9.739 -0.639 1
1 195 . 7 1 1 A 31 31 CYS HA H 31 5.340 5.239 0.101 1
1 198 . 7 1 1 A 32 32 GLU H H 32 9.550 8.970 0.580 1
1 199 . 7 1 1 A 32 32 GLU HA H 32 4.960 5.019 -0.059 1
1 204 . 7 1 1 A 33 33 ARG H H 33 9.310 8.455 0.855 1
1 205 . 7 1 1 A 33 33 ARG HA H 33 3.810 4.563 -0.753 1
1 213 . 7 1 1 A 34 34 LYS H H 34 8.240 8.219 0.021 1
1 214 . 7 1 1 A 34 34 LYS HA H 34 4.160 4.339 -0.179 1
1 226 . 7 1 1 A 35 35 TRP H H 35 7.850 8.530 -0.680 1
1 227 . 7 1 1 A 35 35 TRP HA H 35 4.690 4.456 0.234 1
1 235 . 7 1 1 A 36 36 LYS H H 36 8.360 8.624 -0.264 1
1 236 . 7 1 1 A 36 36 LYS HA H 36 3.970 4.711 -0.741 1
1 248 . 7 1 1 A 37 37 TYR H H 37 7.750 7.954 -0.204 1
1 249 . 7 1 1 A 37 37 TYR HA H 37 4.520 4.812 -0.292 1
1 254 . 7 1 1 A 38 38 LEU H H 38 8.020 7.842 0.178 1
1 255 . 7 1 1 A 38 38 LEU HA H 38 4.200 4.017 0.183 1
1 265 . 7 1 1 A 39 39 PHE H H 39 7.890 7.980 -0.090 1
1 266 . 7 1 1 A 39 39 PHE HA H 39 4.530 4.416 0.114 1
1 271 . 7 1 1 A 40 40 THR H H 40 8.060 8.480 -0.420 1
1 272 . 7 1 1 A 40 40 THR HA H 40 4.170 4.675 -0.505 1
1 274 . 7 1 1 A 41 41 GLY H H 41 7.500 8.982 -1.482 1
1 275 . 7 1 1 A 41 41 GLY HA2 H 41 3.700 3.668 0.032 1
1 276 . 7 1 1 A 41 41 GLY HA3 H 41 3.910 3.708 0.202 1
1 277 . 7 1 1 A 42 42 GLU H H 42 7.880 8.423 -0.543 1
1 278 . 7 1 1 A 42 42 GLU HA H 42 4.350 4.102 0.248 1
1 4 . 8 1 1 A 2 2 GLY H H 2 8.950 7.688 1.262 1
1 5 . 8 1 1 A 2 2 GLY HA2 H 2 3.740 3.880 -0.140 1
1 6 . 8 1 1 A 2 2 GLY HA3 H 2 4.140 3.931 0.209 1
1 7 . 8 1 1 A 3 3 SER H H 3 8.270 8.430 -0.160 1
1 8 . 8 1 1 A 3 3 SER HA H 3 3.470 4.142 -0.672 1
1 11 . 8 1 1 A 4 4 LYS H H 4 7.160 7.251 -0.091 1
1 12 . 8 1 1 A 4 4 LYS HA H 4 3.690 3.705 -0.015 1
1 22 . 8 1 1 A 5 5 ARG H H 5 8.770 9.018 -0.248 1
1 23 . 8 1 1 A 5 5 ARG HA H 5 3.660 4.000 -0.340 1
1 31 . 8 1 1 A 6 6 ALA H H 6 8.160 7.505 0.655 1
1 32 . 8 1 1 A 6 6 ALA HA H 6 4.160 4.789 -0.629 1
1 36 . 8 1 1 A 7 7 TRP H H 7 8.320 8.748 -0.428 1
1 37 . 8 1 1 A 7 7 TRP HA H 7 4.600 5.491 -0.891 1
1 43 . 8 1 1 A 8 8 CYS H H 8 7.140 8.026 -0.886 1
1 44 . 8 1 1 A 8 8 CYS HA H 8 4.390 4.770 -0.380 1
1 47 . 8 1 1 A 9 9 LYS H H 9 8.640 9.008 -0.368 1
1 48 . 8 1 1 A 9 9 LYS HA H 9 4.280 4.209 0.071 1
1 60 . 8 1 1 A 10 10 GLU H H 10 8.010 7.721 0.289 1
1 61 . 8 1 1 A 10 10 GLU HA H 10 4.690 4.759 -0.069 1
1 66 . 8 1 1 A 11 11 LYS H H 11 8.970 8.640 0.330 1
1 67 . 8 1 1 A 11 11 LYS HA H 11 3.780 3.896 -0.116 1
1 79 . 8 1 1 A 12 12 LYS H H 12 8.270 7.984 0.286 1
1 80 . 8 1 1 A 12 12 LYS HA H 12 4.310 4.051 0.259 1
1 92 . 8 1 1 A 13 13 ASP H H 13 7.840 7.792 0.048 1
1 93 . 8 1 1 A 13 13 ASP HA H 13 4.590 4.346 0.244 1
1 96 . 8 1 1 A 14 14 CYS H H 14 8.280 7.412 0.868 1
1 97 . 8 1 1 A 14 14 CYS HA H 14 5.190 4.782 0.408 1
1 100 . 8 1 1 A 15 15 CYS H H 15 9.460 8.849 0.611 1
1 101 . 8 1 1 A 15 15 CYS HA H 15 4.620 4.540 0.080 1
1 104 . 8 1 1 A 16 16 CYS H H 16 8.720 8.969 -0.249 1
1 105 . 8 1 1 A 16 16 CYS HA H 16 4.470 4.509 -0.039 1
1 108 . 8 1 1 A 17 17 GLY H H 17 9.330 8.279 1.051 1
1 109 . 8 1 1 A 17 17 GLY HA2 H 17 3.230 3.775 -0.545 1
1 110 . 8 1 1 A 17 17 GLY HA3 H 17 4.040 3.860 0.180 1
1 111 . 8 1 1 A 18 18 TYR H H 18 8.200 7.703 0.497 1
1 112 . 8 1 1 A 18 18 TYR HA H 18 4.700 4.636 0.064 1
1 119 . 8 1 1 A 19 19 ASN H H 19 8.980 8.896 0.084 1
1 120 . 8 1 1 A 19 19 ASN HA H 19 4.970 5.229 -0.259 1
1 125 . 8 1 1 A 20 20 CYS H H 20 8.680 8.831 -0.151 1
1 126 . 8 1 1 A 20 20 CYS HA H 20 4.870 5.116 -0.246 1
1 129 . 8 1 1 A 21 21 VAL H H 21 9.000 8.551 0.449 1
1 130 . 8 1 1 A 21 21 VAL HA H 21 4.310 4.776 -0.466 1
1 138 . 8 1 1 A 22 22 TYR H H 22 8.790 8.891 -0.101 1
1 139 . 8 1 1 A 22 22 TYR HA H 22 4.570 5.355 -0.785 1
1 146 . 8 1 1 A 23 23 ALA H H 23 7.970 7.971 -0.001 1
1 147 . 8 1 1 A 23 23 ALA HA H 23 4.410 4.697 -0.287 1
1 151 . 8 1 1 A 24 24 TRP H H 24 8.100 8.907 -0.807 1
1 152 . 8 1 1 A 24 24 TRP HA H 24 4.130 4.125 0.005 1
1 158 . 8 1 1 A 25 25 TYR H H 25 6.980 7.814 -0.834 1
1 159 . 8 1 1 A 25 25 TYR HA H 25 3.950 3.895 0.055 1
1 166 . 8 1 1 A 26 26 ASN H H 26 6.900 9.203 -2.303 1
1 167 . 8 1 1 A 26 26 ASN HA H 26 4.650 4.399 0.251 1
1 172 . 8 1 1 A 27 27 GLN H H 27 7.780 7.737 0.043 1
1 173 . 8 1 1 A 27 27 GLN HA H 27 3.860 3.670 0.190 1
1 180 . 8 1 1 A 28 28 GLN H H 28 7.540 7.163 0.377 1
1 181 . 8 1 1 A 28 28 GLN HA H 28 4.620 4.955 -0.335 1
1 186 . 8 1 1 A 29 29 SER H H 29 8.480 9.048 -0.568 1
1 187 . 8 1 1 A 29 29 SER HA H 29 5.300 5.361 -0.061 1
1 190 . 8 1 1 A 30 30 SER H H 30 8.540 8.749 -0.209 1
1 191 . 8 1 1 A 30 30 SER HA H 30 5.310 5.474 -0.164 1
1 194 . 8 1 1 A 31 31 CYS H H 31 9.100 9.666 -0.566 1
1 195 . 8 1 1 A 31 31 CYS HA H 31 5.340 5.386 -0.046 1
1 198 . 8 1 1 A 32 32 GLU H H 32 9.550 9.426 0.124 1
1 199 . 8 1 1 A 32 32 GLU HA H 32 4.960 5.075 -0.115 1
1 204 . 8 1 1 A 33 33 ARG H H 33 9.310 8.865 0.445 1
1 205 . 8 1 1 A 33 33 ARG HA H 33 3.810 4.469 -0.659 1
1 213 . 8 1 1 A 34 34 LYS H H 34 8.240 8.410 -0.170 1
1 214 . 8 1 1 A 34 34 LYS HA H 34 4.160 4.545 -0.385 1
1 226 . 8 1 1 A 35 35 TRP H H 35 7.850 8.046 -0.196 1
1 227 . 8 1 1 A 35 35 TRP HA H 35 4.690 5.159 -0.469 1
1 235 . 8 1 1 A 36 36 LYS H H 36 8.360 8.922 -0.562 1
1 236 . 8 1 1 A 36 36 LYS HA H 36 3.970 4.431 -0.461 1
1 248 . 8 1 1 A 37 37 TYR H H 37 7.750 7.791 -0.041 1
1 249 . 8 1 1 A 37 37 TYR HA H 37 4.520 4.734 -0.214 1
1 254 . 8 1 1 A 38 38 LEU H H 38 8.020 7.691 0.329 1
1 255 . 8 1 1 A 38 38 LEU HA H 38 4.200 4.376 -0.176 1
1 265 . 8 1 1 A 39 39 PHE H H 39 7.890 9.288 -1.398 1
1 266 . 8 1 1 A 39 39 PHE HA H 39 4.530 4.121 0.409 1
1 271 . 8 1 1 A 40 40 THR H H 40 8.060 8.403 -0.343 1
1 272 . 8 1 1 A 40 40 THR HA H 40 4.170 3.929 0.241 1
1 274 . 8 1 1 A 41 41 GLY H H 41 7.500 8.147 -0.647 1
1 275 . 8 1 1 A 41 41 GLY HA2 H 41 3.700 3.966 -0.266 1
1 276 . 8 1 1 A 41 41 GLY HA3 H 41 3.910 3.969 -0.059 1
1 277 . 8 1 1 A 42 42 GLU H H 42 7.880 7.970 -0.090 1
1 278 . 8 1 1 A 42 42 GLU HA H 42 4.350 4.709 -0.359 1
1 4 . 9 1 1 A 2 2 GLY H H 2 8.950 8.684 0.266 1
1 5 . 9 1 1 A 2 2 GLY HA2 H 2 3.740 3.958 -0.218 1
1 6 . 9 1 1 A 2 2 GLY HA3 H 2 4.140 4.046 0.094 1
1 7 . 9 1 1 A 3 3 SER H H 3 8.270 8.502 -0.232 1
1 8 . 9 1 1 A 3 3 SER HA H 3 3.470 4.553 -1.083 1
1 11 . 9 1 1 A 4 4 LYS H H 4 7.160 7.950 -0.790 1
1 12 . 9 1 1 A 4 4 LYS HA H 4 3.690 3.001 0.689 1
1 22 . 9 1 1 A 5 5 ARG H H 5 8.770 8.550 0.220 1
1 23 . 9 1 1 A 5 5 ARG HA H 5 3.660 3.775 -0.115 1
1 31 . 9 1 1 A 6 6 ALA H H 6 8.160 7.398 0.762 1
1 32 . 9 1 1 A 6 6 ALA HA H 6 4.160 4.819 -0.659 1
1 36 . 9 1 1 A 7 7 TRP H H 7 8.320 8.613 -0.293 1
1 37 . 9 1 1 A 7 7 TRP HA H 7 4.600 5.824 -1.224 1
1 43 . 9 1 1 A 8 8 CYS H H 8 7.140 7.739 -0.599 1
1 44 . 9 1 1 A 8 8 CYS HA H 8 4.390 4.509 -0.119 1
1 47 . 9 1 1 A 9 9 LYS H H 9 8.640 8.532 0.108 1
1 48 . 9 1 1 A 9 9 LYS HA H 9 4.280 4.171 0.109 1
1 60 . 9 1 1 A 10 10 GLU H H 10 8.010 7.644 0.366 1
1 61 . 9 1 1 A 10 10 GLU HA H 10 4.690 4.529 0.161 1
1 66 . 9 1 1 A 11 11 LYS H H 11 8.970 8.526 0.444 1
1 67 . 9 1 1 A 11 11 LYS HA H 11 3.780 3.869 -0.089 1
1 79 . 9 1 1 A 12 12 LYS H H 12 8.270 7.833 0.437 1
1 80 . 9 1 1 A 12 12 LYS HA H 12 4.310 4.054 0.256 1
1 92 . 9 1 1 A 13 13 ASP H H 13 7.840 8.022 -0.182 1
1 93 . 9 1 1 A 13 13 ASP HA H 13 4.590 4.463 0.127 1
1 96 . 9 1 1 A 14 14 CYS H H 14 8.280 7.548 0.732 1
1 97 . 9 1 1 A 14 14 CYS HA H 14 5.190 4.669 0.521 1
1 100 . 9 1 1 A 15 15 CYS H H 15 9.460 8.378 1.082 1
1 101 . 9 1 1 A 15 15 CYS HA H 15 4.620 4.393 0.227 1
1 104 . 9 1 1 A 16 16 CYS H H 16 8.720 8.558 0.162 1
1 105 . 9 1 1 A 16 16 CYS HA H 16 4.470 4.199 0.271 1
1 108 . 9 1 1 A 17 17 GLY H H 17 9.330 8.979 0.351 1
1 109 . 9 1 1 A 17 17 GLY HA2 H 17 3.230 3.562 -0.332 1
1 110 . 9 1 1 A 17 17 GLY HA3 H 17 4.040 3.772 0.268 1
1 111 . 9 1 1 A 18 18 TYR H H 18 8.200 7.984 0.216 1
1 112 . 9 1 1 A 18 18 TYR HA H 18 4.700 5.020 -0.320 1
1 119 . 9 1 1 A 19 19 ASN H H 19 8.980 9.367 -0.387 1
1 120 . 9 1 1 A 19 19 ASN HA H 19 4.970 4.798 0.172 1
1 125 . 9 1 1 A 20 20 CYS H H 20 8.680 8.616 0.064 1
1 126 . 9 1 1 A 20 20 CYS HA H 20 4.870 5.134 -0.264 1
1 129 . 9 1 1 A 21 21 VAL H H 21 9.000 8.575 0.425 1
1 130 . 9 1 1 A 21 21 VAL HA H 21 4.310 4.754 -0.444 1
1 138 . 9 1 1 A 22 22 TYR H H 22 8.790 8.791 -0.001 1
1 139 . 9 1 1 A 22 22 TYR HA H 22 4.570 4.634 -0.064 1
1 146 . 9 1 1 A 23 23 ALA H H 23 7.970 8.095 -0.125 1
1 147 . 9 1 1 A 23 23 ALA HA H 23 4.410 4.274 0.136 1
1 151 . 9 1 1 A 24 24 TRP H H 24 8.100 8.275 -0.175 1
1 152 . 9 1 1 A 24 24 TRP HA H 24 4.130 4.418 -0.288 1
1 158 . 9 1 1 A 25 25 TYR H H 25 6.980 7.747 -0.767 1
1 159 . 9 1 1 A 25 25 TYR HA H 25 3.950 4.429 -0.479 1
1 166 . 9 1 1 A 26 26 ASN H H 26 6.900 7.204 -0.304 1
1 167 . 9 1 1 A 26 26 ASN HA H 26 4.650 4.992 -0.342 1
1 172 . 9 1 1 A 27 27 GLN H H 27 7.780 7.997 -0.217 1
1 173 . 9 1 1 A 27 27 GLN HA H 27 3.860 3.713 0.147 1
1 180 . 9 1 1 A 28 28 GLN H H 28 7.540 7.169 0.371 1
1 181 . 9 1 1 A 28 28 GLN HA H 28 4.620 5.034 -0.414 1
1 186 . 9 1 1 A 29 29 SER H H 29 8.480 8.697 -0.217 1
1 187 . 9 1 1 A 29 29 SER HA H 29 5.300 5.095 0.205 1
1 190 . 9 1 1 A 30 30 SER H H 30 8.540 8.838 -0.298 1
1 191 . 9 1 1 A 30 30 SER HA H 30 5.310 5.577 -0.267 1
1 194 . 9 1 1 A 31 31 CYS H H 31 9.100 10.151 -1.051 1
1 195 . 9 1 1 A 31 31 CYS HA H 31 5.340 5.644 -0.304 1
1 198 . 9 1 1 A 32 32 GLU H H 32 9.550 8.713 0.837 1
1 199 . 9 1 1 A 32 32 GLU HA H 32 4.960 4.987 -0.027 1
1 204 . 9 1 1 A 33 33 ARG H H 33 9.310 8.496 0.814 1
1 205 . 9 1 1 A 33 33 ARG HA H 33 3.810 4.212 -0.402 1
1 213 . 9 1 1 A 34 34 LYS H H 34 8.240 8.282 -0.042 1
1 214 . 9 1 1 A 34 34 LYS HA H 34 4.160 3.928 0.232 1
1 226 . 9 1 1 A 35 35 TRP H H 35 7.850 8.883 -1.033 1
1 227 . 9 1 1 A 35 35 TRP HA H 35 4.690 4.257 0.433 1
1 235 . 9 1 1 A 36 36 LYS H H 36 8.360 8.725 -0.365 1
1 236 . 9 1 1 A 36 36 LYS HA H 36 3.970 3.883 0.087 1
1 248 . 9 1 1 A 37 37 TYR H H 37 7.750 8.228 -0.478 1
1 249 . 9 1 1 A 37 37 TYR HA H 37 4.520 4.747 -0.227 1
1 254 . 9 1 1 A 38 38 LEU H H 38 8.020 7.735 0.285 1
1 255 . 9 1 1 A 38 38 LEU HA H 38 4.200 4.535 -0.335 1
1 265 . 9 1 1 A 39 39 PHE H H 39 7.890 8.960 -1.070 1
1 266 . 9 1 1 A 39 39 PHE HA H 39 4.530 4.146 0.384 1
1 271 . 9 1 1 A 40 40 THR H H 40 8.060 8.286 -0.226 1
1 272 . 9 1 1 A 40 40 THR HA H 40 4.170 4.166 0.004 1
1 274 . 9 1 1 A 41 41 GLY H H 41 7.500 8.109 -0.609 1
1 275 . 9 1 1 A 41 41 GLY HA2 H 41 3.700 4.011 -0.311 1
1 276 . 9 1 1 A 41 41 GLY HA3 H 41 3.910 4.020 -0.110 1
1 277 . 9 1 1 A 42 42 GLU H H 42 7.880 7.631 0.249 1
1 278 . 9 1 1 A 42 42 GLU HA H 42 4.350 4.402 -0.052 1
1 4 . 10 1 1 A 2 2 GLY H H 2 8.950 8.311 0.639 1
1 5 . 10 1 1 A 2 2 GLY HA2 H 2 3.740 3.799 -0.059 1
1 6 . 10 1 1 A 2 2 GLY HA3 H 2 4.140 3.877 0.263 1
1 7 . 10 1 1 A 3 3 SER H H 3 8.270 8.129 0.141 1
1 8 . 10 1 1 A 3 3 SER HA H 3 3.470 4.078 -0.608 1
1 11 . 10 1 1 A 4 4 LYS H H 4 7.160 8.121 -0.961 1
1 12 . 10 1 1 A 4 4 LYS HA H 4 3.690 4.116 -0.426 1
1 22 . 10 1 1 A 5 5 ARG H H 5 8.770 8.783 -0.013 1
1 23 . 10 1 1 A 5 5 ARG HA H 5 3.660 3.942 -0.282 1
1 31 . 10 1 1 A 6 6 ALA H H 6 8.160 7.753 0.407 1
1 32 . 10 1 1 A 6 6 ALA HA H 6 4.160 4.907 -0.747 1
1 36 . 10 1 1 A 7 7 TRP H H 7 8.320 8.801 -0.481 1
1 37 . 10 1 1 A 7 7 TRP HA H 7 4.600 5.692 -1.092 1
1 43 . 10 1 1 A 8 8 CYS H H 8 7.140 8.060 -0.920 1
1 44 . 10 1 1 A 8 8 CYS HA H 8 4.390 4.272 0.118 1
1 47 . 10 1 1 A 9 9 LYS H H 9 8.640 8.470 0.170 1
1 48 . 10 1 1 A 9 9 LYS HA H 9 4.280 4.527 -0.247 1
1 60 . 10 1 1 A 10 10 GLU H H 10 8.010 7.638 0.372 1
1 61 . 10 1 1 A 10 10 GLU HA H 10 4.690 4.683 0.007 1
1 66 . 10 1 1 A 11 11 LYS H H 11 8.970 8.588 0.382 1
1 67 . 10 1 1 A 11 11 LYS HA H 11 3.780 3.915 -0.135 1
1 79 . 10 1 1 A 12 12 LYS H H 12 8.270 7.801 0.469 1
1 80 . 10 1 1 A 12 12 LYS HA H 12 4.310 4.154 0.156 1
1 92 . 10 1 1 A 13 13 ASP H H 13 7.840 8.081 -0.241 1
1 93 . 10 1 1 A 13 13 ASP HA H 13 4.590 4.594 -0.004 1
1 96 . 10 1 1 A 14 14 CYS H H 14 8.280 7.481 0.799 1
1 97 . 10 1 1 A 14 14 CYS HA H 14 5.190 4.439 0.751 1
1 100 . 10 1 1 A 15 15 CYS H H 15 9.460 8.467 0.993 1
1 101 . 10 1 1 A 15 15 CYS HA H 15 4.620 4.240 0.380 1
1 104 . 10 1 1 A 16 16 CYS H H 16 8.720 8.571 0.149 1
1 105 . 10 1 1 A 16 16 CYS HA H 16 4.470 4.039 0.431 1
1 108 . 10 1 1 A 17 17 GLY H H 17 9.330 8.541 0.789 1
1 109 . 10 1 1 A 17 17 GLY HA2 H 17 3.230 2.869 0.361 1
1 110 . 10 1 1 A 17 17 GLY HA3 H 17 4.040 3.192 0.848 1
1 111 . 10 1 1 A 18 18 TYR H H 18 8.200 7.845 0.355 1
1 112 . 10 1 1 A 18 18 TYR HA H 18 4.700 5.612 -0.912 1
1 119 . 10 1 1 A 19 19 ASN H H 19 8.980 8.961 0.019 1
1 120 . 10 1 1 A 19 19 ASN HA H 19 4.970 5.286 -0.316 1
1 125 . 10 1 1 A 20 20 CYS H H 20 8.680 8.795 -0.115 1
1 126 . 10 1 1 A 20 20 CYS HA H 20 4.870 5.224 -0.354 1
1 129 . 10 1 1 A 21 21 VAL H H 21 9.000 8.901 0.099 1
1 130 . 10 1 1 A 21 21 VAL HA H 21 4.310 4.678 -0.368 1
1 138 . 10 1 1 A 22 22 TYR H H 22 8.790 8.990 -0.200 1
1 139 . 10 1 1 A 22 22 TYR HA H 22 4.570 4.961 -0.391 1
1 146 . 10 1 1 A 23 23 ALA H H 23 7.970 8.327 -0.357 1
1 147 . 10 1 1 A 23 23 ALA HA H 23 4.410 4.858 -0.448 1
1 151 . 10 1 1 A 24 24 TRP H H 24 8.100 8.781 -0.681 1
1 152 . 10 1 1 A 24 24 TRP HA H 24 4.130 4.430 -0.300 1
1 158 . 10 1 1 A 25 25 TYR H H 25 6.980 7.110 -0.130 1
1 159 . 10 1 1 A 25 25 TYR HA H 25 3.950 3.370 0.580 1
1 166 . 10 1 1 A 26 26 ASN H H 26 6.900 9.064 -2.164 1
1 167 . 10 1 1 A 26 26 ASN HA H 26 4.650 4.343 0.307 1
1 172 . 10 1 1 A 27 27 GLN H H 27 7.780 8.000 -0.220 1
1 173 . 10 1 1 A 27 27 GLN HA H 27 3.860 3.835 0.025 1
1 180 . 10 1 1 A 28 28 GLN H H 28 7.540 6.931 0.609 1
1 181 . 10 1 1 A 28 28 GLN HA H 28 4.620 4.739 -0.119 1
1 186 . 10 1 1 A 29 29 SER H H 29 8.480 8.792 -0.312 1
1 187 . 10 1 1 A 29 29 SER HA H 29 5.300 5.345 -0.045 1
1 190 . 10 1 1 A 30 30 SER H H 30 8.540 8.679 -0.139 1
1 191 . 10 1 1 A 30 30 SER HA H 30 5.310 5.288 0.022 1
1 194 . 10 1 1 A 31 31 CYS H H 31 9.100 9.317 -0.217 1
1 195 . 10 1 1 A 31 31 CYS HA H 31 5.340 5.217 0.123 1
1 198 . 10 1 1 A 32 32 GLU H H 32 9.550 9.021 0.529 1
1 199 . 10 1 1 A 32 32 GLU HA H 32 4.960 5.148 -0.188 1
1 204 . 10 1 1 A 33 33 ARG H H 33 9.310 8.743 0.567 1
1 205 . 10 1 1 A 33 33 ARG HA H 33 3.810 5.069 -1.259 1
1 213 . 10 1 1 A 34 34 LYS H H 34 8.240 9.291 -1.051 1
1 214 . 10 1 1 A 34 34 LYS HA H 34 4.160 4.685 -0.525 1
1 226 . 10 1 1 A 35 35 TRP H H 35 7.850 7.426 0.424 1
1 227 . 10 1 1 A 35 35 TRP HA H 35 4.690 5.352 -0.662 1
1 235 . 10 1 1 A 36 36 LYS H H 36 8.360 9.063 -0.703 1
1 236 . 10 1 1 A 36 36 LYS HA H 36 3.970 4.284 -0.314 1
1 248 . 10 1 1 A 37 37 TYR H H 37 7.750 8.958 -1.208 1
1 249 . 10 1 1 A 37 37 TYR HA H 37 4.520 4.606 -0.086 1
1 254 . 10 1 1 A 38 38 LEU H H 38 8.020 8.486 -0.466 1
1 255 . 10 1 1 A 38 38 LEU HA H 38 4.200 4.262 -0.062 1
1 265 . 10 1 1 A 39 39 PHE H H 39 7.890 7.477 0.413 1
1 266 . 10 1 1 A 39 39 PHE HA H 39 4.530 4.638 -0.108 1
1 271 . 10 1 1 A 40 40 THR H H 40 8.060 8.680 -0.620 1
1 272 . 10 1 1 A 40 40 THR HA H 40 4.170 4.046 0.124 1
1 274 . 10 1 1 A 41 41 GLY H H 41 7.500 8.372 -0.872 1
1 275 . 10 1 1 A 41 41 GLY HA2 H 41 3.700 3.794 -0.094 1
1 276 . 10 1 1 A 41 41 GLY HA3 H 41 3.910 3.794 0.116 1
1 277 . 10 1 1 A 42 42 GLU H H 42 7.880 7.852 0.028 1
1 278 . 10 1 1 A 42 42 GLU HA H 42 4.350 4.614 -0.264 1
1 4 . 11 1 1 A 2 2 GLY H H 2 8.950 8.671 0.279 1
1 5 . 11 1 1 A 2 2 GLY HA2 H 2 3.740 3.819 -0.079 1
1 6 . 11 1 1 A 2 2 GLY HA3 H 2 4.140 3.855 0.285 1
1 7 . 11 1 1 A 3 3 SER H H 3 8.270 7.717 0.553 1
1 8 . 11 1 1 A 3 3 SER HA H 3 3.470 4.008 -0.538 1
1 11 . 11 1 1 A 4 4 LYS H H 4 7.160 7.663 -0.503 1
1 12 . 11 1 1 A 4 4 LYS HA H 4 3.690 4.257 -0.567 1
1 22 . 11 1 1 A 5 5 ARG H H 5 8.770 8.853 -0.083 1
1 23 . 11 1 1 A 5 5 ARG HA H 5 3.660 3.862 -0.202 1
1 31 . 11 1 1 A 6 6 ALA H H 6 8.160 7.664 0.496 1
1 32 . 11 1 1 A 6 6 ALA HA H 6 4.160 4.822 -0.662 1
1 36 . 11 1 1 A 7 7 TRP H H 7 8.320 8.746 -0.426 1
1 37 . 11 1 1 A 7 7 TRP HA H 7 4.600 5.200 -0.600 1
1 43 . 11 1 1 A 8 8 CYS H H 8 7.140 7.696 -0.556 1
1 44 . 11 1 1 A 8 8 CYS HA H 8 4.390 4.512 -0.122 1
1 47 . 11 1 1 A 9 9 LYS H H 9 8.640 8.299 0.341 1
1 48 . 11 1 1 A 9 9 LYS HA H 9 4.280 4.058 0.222 1
1 60 . 11 1 1 A 10 10 GLU H H 10 8.010 7.742 0.268 1
1 61 . 11 1 1 A 10 10 GLU HA H 10 4.690 4.778 -0.088 1
1 66 . 11 1 1 A 11 11 LYS H H 11 8.970 8.675 0.295 1
1 67 . 11 1 1 A 11 11 LYS HA H 11 3.780 3.971 -0.191 1
1 79 . 11 1 1 A 12 12 LYS H H 12 8.270 7.933 0.337 1
1 80 . 11 1 1 A 12 12 LYS HA H 12 4.310 4.208 0.102 1
1 92 . 11 1 1 A 13 13 ASP H H 13 7.840 7.619 0.221 1
1 93 . 11 1 1 A 13 13 ASP HA H 13 4.590 4.551 0.039 1
1 96 . 11 1 1 A 14 14 CYS H H 14 8.280 7.508 0.772 1
1 97 . 11 1 1 A 14 14 CYS HA H 14 5.190 4.633 0.557 1
1 100 . 11 1 1 A 15 15 CYS H H 15 9.460 8.531 0.929 1
1 101 . 11 1 1 A 15 15 CYS HA H 15 4.620 4.331 0.289 1
1 104 . 11 1 1 A 16 16 CYS H H 16 8.720 8.568 0.152 1
1 105 . 11 1 1 A 16 16 CYS HA H 16 4.470 4.240 0.230 1
1 108 . 11 1 1 A 17 17 GLY H H 17 9.330 8.562 0.768 1
1 109 . 11 1 1 A 17 17 GLY HA2 H 17 3.230 3.576 -0.346 1
1 110 . 11 1 1 A 17 17 GLY HA3 H 17 4.040 3.587 0.453 1
1 111 . 11 1 1 A 18 18 TYR H H 18 8.200 7.882 0.318 1
1 112 . 11 1 1 A 18 18 TYR HA H 18 4.700 5.174 -0.474 1
1 119 . 11 1 1 A 19 19 ASN H H 19 8.980 9.595 -0.615 1
1 120 . 11 1 1 A 19 19 ASN HA H 19 4.970 5.386 -0.416 1
1 125 . 11 1 1 A 20 20 CYS H H 20 8.680 8.918 -0.238 1
1 126 . 11 1 1 A 20 20 CYS HA H 20 4.870 5.115 -0.245 1
1 129 . 11 1 1 A 21 21 VAL H H 21 9.000 8.505 0.495 1
1 130 . 11 1 1 A 21 21 VAL HA H 21 4.310 4.593 -0.283 1
1 138 . 11 1 1 A 22 22 TYR H H 22 8.790 8.980 -0.190 1
1 139 . 11 1 1 A 22 22 TYR HA H 22 4.570 5.164 -0.594 1
1 146 . 11 1 1 A 23 23 ALA H H 23 7.970 8.272 -0.302 1
1 147 . 11 1 1 A 23 23 ALA HA H 23 4.410 4.632 -0.222 1
1 151 . 11 1 1 A 24 24 TRP H H 24 8.100 8.741 -0.641 1
1 152 . 11 1 1 A 24 24 TRP HA H 24 4.130 4.381 -0.251 1
1 158 . 11 1 1 A 25 25 TYR H H 25 6.980 7.563 -0.583 1
1 159 . 11 1 1 A 25 25 TYR HA H 25 3.950 4.280 -0.330 1
1 166 . 11 1 1 A 26 26 ASN H H 26 6.900 9.463 -2.563 1
1 167 . 11 1 1 A 26 26 ASN HA H 26 4.650 4.325 0.325 1
1 172 . 11 1 1 A 27 27 GLN H H 27 7.780 8.148 -0.368 1
1 173 . 11 1 1 A 27 27 GLN HA H 27 3.860 3.620 0.240 1
1 180 . 11 1 1 A 28 28 GLN H H 28 7.540 6.860 0.680 1
1 181 . 11 1 1 A 28 28 GLN HA H 28 4.620 4.810 -0.190 1
1 186 . 11 1 1 A 29 29 SER H H 29 8.480 8.887 -0.407 1
1 187 . 11 1 1 A 29 29 SER HA H 29 5.300 5.600 -0.300 1
1 190 . 11 1 1 A 30 30 SER H H 30 8.540 8.646 -0.106 1
1 191 . 11 1 1 A 30 30 SER HA H 30 5.310 5.434 -0.124 1
1 194 . 11 1 1 A 31 31 CYS H H 31 9.100 8.860 0.240 1
1 195 . 11 1 1 A 31 31 CYS HA H 31 5.340 5.270 0.070 1
1 198 . 11 1 1 A 32 32 GLU H H 32 9.550 9.484 0.066 1
1 199 . 11 1 1 A 32 32 GLU HA H 32 4.960 5.170 -0.210 1
1 204 . 11 1 1 A 33 33 ARG H H 33 9.310 8.953 0.357 1
1 205 . 11 1 1 A 33 33 ARG HA H 33 3.810 4.206 -0.396 1
1 213 . 11 1 1 A 34 34 LYS H H 34 8.240 8.796 -0.556 1
1 214 . 11 1 1 A 34 34 LYS HA H 34 4.160 4.022 0.138 1
1 226 . 11 1 1 A 35 35 TRP H H 35 7.850 7.810 0.040 1
1 227 . 11 1 1 A 35 35 TRP HA H 35 4.690 4.870 -0.180 1
1 235 . 11 1 1 A 36 36 LYS H H 36 8.360 8.986 -0.626 1
1 236 . 11 1 1 A 36 36 LYS HA H 36 3.970 3.774 0.196 1
1 248 . 11 1 1 A 37 37 TYR H H 37 7.750 8.758 -1.008 1
1 249 . 11 1 1 A 37 37 TYR HA H 37 4.520 4.077 0.443 1
1 254 . 11 1 1 A 38 38 LEU H H 38 8.020 8.409 -0.389 1
1 255 . 11 1 1 A 38 38 LEU HA H 38 4.200 4.261 -0.061 1
1 265 . 11 1 1 A 39 39 PHE H H 39 7.890 7.664 0.226 1
1 266 . 11 1 1 A 39 39 PHE HA H 39 4.530 4.573 -0.043 1
1 271 . 11 1 1 A 40 40 THR H H 40 8.060 8.258 -0.198 1
1 272 . 11 1 1 A 40 40 THR HA H 40 4.170 4.048 0.122 1
1 274 . 11 1 1 A 41 41 GLY H H 41 7.500 8.397 -0.897 1
1 275 . 11 1 1 A 41 41 GLY HA2 H 41 3.700 3.892 -0.192 1
1 276 . 11 1 1 A 41 41 GLY HA3 H 41 3.910 3.942 -0.032 1
1 277 . 11 1 1 A 42 42 GLU H H 42 7.880 8.323 -0.443 1
1 278 . 11 1 1 A 42 42 GLU HA H 42 4.350 4.405 -0.055 1
1 4 . 12 1 1 A 2 2 GLY H H 2 8.950 8.425 0.525 1
1 5 . 12 1 1 A 2 2 GLY HA2 H 2 3.740 3.746 -0.006 1
1 6 . 12 1 1 A 2 2 GLY HA3 H 2 4.140 3.796 0.344 1
1 7 . 12 1 1 A 3 3 SER H H 3 8.270 7.864 0.406 1
1 8 . 12 1 1 A 3 3 SER HA H 3 3.470 4.119 -0.649 1
1 11 . 12 1 1 A 4 4 LYS H H 4 7.160 7.224 -0.064 1
1 12 . 12 1 1 A 4 4 LYS HA H 4 3.690 3.925 -0.235 1
1 22 . 12 1 1 A 5 5 ARG H H 5 8.770 8.811 -0.041 1
1 23 . 12 1 1 A 5 5 ARG HA H 5 3.660 3.903 -0.243 1
1 31 . 12 1 1 A 6 6 ALA H H 6 8.160 7.573 0.587 1
1 32 . 12 1 1 A 6 6 ALA HA H 6 4.160 4.684 -0.524 1
1 36 . 12 1 1 A 7 7 TRP H H 7 8.320 8.757 -0.437 1
1 37 . 12 1 1 A 7 7 TRP HA H 7 4.600 4.968 -0.368 1
1 43 . 12 1 1 A 8 8 CYS H H 8 7.140 7.822 -0.682 1
1 44 . 12 1 1 A 8 8 CYS HA H 8 4.390 4.540 -0.150 1
1 47 . 12 1 1 A 9 9 LYS H H 9 8.640 8.499 0.141 1
1 48 . 12 1 1 A 9 9 LYS HA H 9 4.280 4.097 0.183 1
1 60 . 12 1 1 A 10 10 GLU H H 10 8.010 7.586 0.424 1
1 61 . 12 1 1 A 10 10 GLU HA H 10 4.690 4.593 0.097 1
1 66 . 12 1 1 A 11 11 LYS H H 11 8.970 8.535 0.435 1
1 67 . 12 1 1 A 11 11 LYS HA H 11 3.780 3.852 -0.072 1
1 79 . 12 1 1 A 12 12 LYS H H 12 8.270 7.783 0.487 1
1 80 . 12 1 1 A 12 12 LYS HA H 12 4.310 4.018 0.292 1
1 92 . 12 1 1 A 13 13 ASP H H 13 7.840 8.065 -0.225 1
1 93 . 12 1 1 A 13 13 ASP HA H 13 4.590 4.327 0.263 1
1 96 . 12 1 1 A 14 14 CYS H H 14 8.280 7.591 0.689 1
1 97 . 12 1 1 A 14 14 CYS HA H 14 5.190 4.400 0.790 1
1 100 . 12 1 1 A 15 15 CYS H H 15 9.460 8.518 0.942 1
1 101 . 12 1 1 A 15 15 CYS HA H 15 4.620 4.540 0.080 1
1 104 . 12 1 1 A 16 16 CYS H H 16 8.720 8.639 0.081 1
1 105 . 12 1 1 A 16 16 CYS HA H 16 4.470 4.396 0.074 1
1 108 . 12 1 1 A 17 17 GLY H H 17 9.330 8.831 0.499 1
1 109 . 12 1 1 A 17 17 GLY HA2 H 17 3.230 3.850 -0.620 1
1 110 . 12 1 1 A 17 17 GLY HA3 H 17 4.040 3.956 0.084 1
1 111 . 12 1 1 A 18 18 TYR H H 18 8.200 7.813 0.387 1
1 112 . 12 1 1 A 18 18 TYR HA H 18 4.700 5.159 -0.459 1
1 119 . 12 1 1 A 19 19 ASN H H 19 8.980 8.748 0.232 1
1 120 . 12 1 1 A 19 19 ASN HA H 19 4.970 5.377 -0.407 1
1 125 . 12 1 1 A 20 20 CYS H H 20 8.680 8.960 -0.280 1
1 126 . 12 1 1 A 20 20 CYS HA H 20 4.870 5.071 -0.201 1
1 129 . 12 1 1 A 21 21 VAL H H 21 9.000 8.909 0.091 1
1 130 . 12 1 1 A 21 21 VAL HA H 21 4.310 4.783 -0.473 1
1 138 . 12 1 1 A 22 22 TYR H H 22 8.790 8.907 -0.117 1
1 139 . 12 1 1 A 22 22 TYR HA H 22 4.570 4.587 -0.017 1
1 146 . 12 1 1 A 23 23 ALA H H 23 7.970 8.139 -0.169 1
1 147 . 12 1 1 A 23 23 ALA HA H 23 4.410 4.332 0.078 1
1 151 . 12 1 1 A 24 24 TRP H H 24 8.100 7.633 0.467 1
1 152 . 12 1 1 A 24 24 TRP HA H 24 4.130 4.444 -0.314 1
1 158 . 12 1 1 A 25 25 TYR H H 25 6.980 8.952 -1.972 1
1 159 . 12 1 1 A 25 25 TYR HA H 25 3.950 4.444 -0.494 1
1 166 . 12 1 1 A 26 26 ASN H H 26 6.900 6.744 0.156 1
1 167 . 12 1 1 A 26 26 ASN HA H 26 4.650 4.425 0.225 1
1 172 . 12 1 1 A 27 27 GLN H H 27 7.780 7.801 -0.021 1
1 173 . 12 1 1 A 27 27 GLN HA H 27 3.860 4.025 -0.165 1
1 180 . 12 1 1 A 28 28 GLN H H 28 7.540 7.442 0.098 1
1 181 . 12 1 1 A 28 28 GLN HA H 28 4.620 4.798 -0.178 1
1 186 . 12 1 1 A 29 29 SER H H 29 8.480 8.869 -0.389 1
1 187 . 12 1 1 A 29 29 SER HA H 29 5.300 5.368 -0.068 1
1 190 . 12 1 1 A 30 30 SER H H 30 8.540 8.596 -0.056 1
1 191 . 12 1 1 A 30 30 SER HA H 30 5.310 4.870 0.440 1
1 194 . 12 1 1 A 31 31 CYS H H 31 9.100 8.184 0.916 1
1 195 . 12 1 1 A 31 31 CYS HA H 31 5.340 5.154 0.186 1
1 198 . 12 1 1 A 32 32 GLU H H 32 9.550 8.863 0.687 1
1 199 . 12 1 1 A 32 32 GLU HA H 32 4.960 4.997 -0.037 1
1 204 . 12 1 1 A 33 33 ARG H H 33 9.310 8.826 0.484 1
1 205 . 12 1 1 A 33 33 ARG HA H 33 3.810 4.254 -0.444 1
1 213 . 12 1 1 A 34 34 LYS H H 34 8.240 8.768 -0.528 1
1 214 . 12 1 1 A 34 34 LYS HA H 34 4.160 4.489 -0.329 1
1 226 . 12 1 1 A 35 35 TRP H H 35 7.850 8.000 -0.150 1
1 227 . 12 1 1 A 35 35 TRP HA H 35 4.690 4.850 -0.160 1
1 235 . 12 1 1 A 36 36 LYS H H 36 8.360 8.972 -0.612 1
1 236 . 12 1 1 A 36 36 LYS HA H 36 3.970 3.902 0.068 1
1 248 . 12 1 1 A 37 37 TYR H H 37 7.750 8.075 -0.325 1
1 249 . 12 1 1 A 37 37 TYR HA H 37 4.520 4.746 -0.226 1
1 254 . 12 1 1 A 38 38 LEU H H 38 8.020 8.002 0.018 1
1 255 . 12 1 1 A 38 38 LEU HA H 38 4.200 4.033 0.167 1
1 265 . 12 1 1 A 39 39 PHE H H 39 7.890 8.480 -0.590 1
1 266 . 12 1 1 A 39 39 PHE HA H 39 4.530 3.988 0.542 1
1 271 . 12 1 1 A 40 40 THR H H 40 8.060 7.474 0.586 1
1 272 . 12 1 1 A 40 40 THR HA H 40 4.170 3.966 0.204 1
1 274 . 12 1 1 A 41 41 GLY H H 41 7.500 8.086 -0.586 1
1 275 . 12 1 1 A 41 41 GLY HA2 H 41 3.700 3.941 -0.241 1
1 276 . 12 1 1 A 41 41 GLY HA3 H 41 3.910 3.972 -0.062 1
1 277 . 12 1 1 A 42 42 GLU H H 42 7.880 8.291 -0.411 1
1 278 . 12 1 1 A 42 42 GLU HA H 42 4.350 3.932 0.418 1
1 4 . 13 1 1 A 2 2 GLY H H 2 8.950 8.291 0.659 1
1 5 . 13 1 1 A 2 2 GLY HA2 H 2 3.740 3.964 -0.224 1
1 6 . 13 1 1 A 2 2 GLY HA3 H 2 4.140 4.011 0.129 1
1 7 . 13 1 1 A 3 3 SER H H 3 8.270 8.345 -0.075 1
1 8 . 13 1 1 A 3 3 SER HA H 3 3.470 4.337 -0.867 1
1 11 . 13 1 1 A 4 4 LYS H H 4 7.160 7.366 -0.206 1
1 12 . 13 1 1 A 4 4 LYS HA H 4 3.690 3.964 -0.274 1
1 22 . 13 1 1 A 5 5 ARG H H 5 8.770 9.323 -0.553 1
1 23 . 13 1 1 A 5 5 ARG HA H 5 3.660 3.836 -0.176 1
1 31 . 13 1 1 A 6 6 ALA H H 6 8.160 7.662 0.498 1
1 32 . 13 1 1 A 6 6 ALA HA H 6 4.160 4.776 -0.616 1
1 36 . 13 1 1 A 7 7 TRP H H 7 8.320 8.752 -0.432 1
1 37 . 13 1 1 A 7 7 TRP HA H 7 4.600 5.240 -0.640 1
1 43 . 13 1 1 A 8 8 CYS H H 8 7.140 7.720 -0.580 1
1 44 . 13 1 1 A 8 8 CYS HA H 8 4.390 4.534 -0.144 1
1 47 . 13 1 1 A 9 9 LYS H H 9 8.640 8.103 0.537 1
1 48 . 13 1 1 A 9 9 LYS HA H 9 4.280 4.069 0.211 1
1 60 . 13 1 1 A 10 10 GLU H H 10 8.010 7.611 0.399 1
1 61 . 13 1 1 A 10 10 GLU HA H 10 4.690 4.712 -0.022 1
1 66 . 13 1 1 A 11 11 LYS H H 11 8.970 8.760 0.210 1
1 67 . 13 1 1 A 11 11 LYS HA H 11 3.780 3.853 -0.073 1
1 79 . 13 1 1 A 12 12 LYS H H 12 8.270 8.014 0.256 1
1 80 . 13 1 1 A 12 12 LYS HA H 12 4.310 4.130 0.180 1
1 92 . 13 1 1 A 13 13 ASP H H 13 7.840 8.078 -0.238 1
1 93 . 13 1 1 A 13 13 ASP HA H 13 4.590 4.494 0.096 1
1 96 . 13 1 1 A 14 14 CYS H H 14 8.280 7.487 0.793 1
1 97 . 13 1 1 A 14 14 CYS HA H 14 5.190 4.590 0.600 1
1 100 . 13 1 1 A 15 15 CYS H H 15 9.460 8.742 0.718 1
1 101 . 13 1 1 A 15 15 CYS HA H 15 4.620 4.361 0.259 1
1 104 . 13 1 1 A 16 16 CYS H H 16 8.720 8.687 0.033 1
1 105 . 13 1 1 A 16 16 CYS HA H 16 4.470 4.343 0.127 1
1 108 . 13 1 1 A 17 17 GLY H H 17 9.330 8.669 0.661 1
1 109 . 13 1 1 A 17 17 GLY HA2 H 17 3.230 3.860 -0.630 1
1 110 . 13 1 1 A 17 17 GLY HA3 H 17 4.040 4.293 -0.253 1
1 111 . 13 1 1 A 18 18 TYR H H 18 8.200 7.915 0.285 1
1 112 . 13 1 1 A 18 18 TYR HA H 18 4.700 5.026 -0.326 1
1 119 . 13 1 1 A 19 19 ASN H H 19 8.980 8.852 0.128 1
1 120 . 13 1 1 A 19 19 ASN HA H 19 4.970 4.881 0.089 1
1 125 . 13 1 1 A 20 20 CYS H H 20 8.680 8.453 0.227 1
1 126 . 13 1 1 A 20 20 CYS HA H 20 4.870 5.182 -0.312 1
1 129 . 13 1 1 A 21 21 VAL H H 21 9.000 8.905 0.095 1
1 130 . 13 1 1 A 21 21 VAL HA H 21 4.310 4.586 -0.276 1
1 138 . 13 1 1 A 22 22 TYR H H 22 8.790 9.018 -0.228 1
1 139 . 13 1 1 A 22 22 TYR HA H 22 4.570 4.606 -0.036 1
1 146 . 13 1 1 A 23 23 ALA H H 23 7.970 8.299 -0.329 1
1 147 . 13 1 1 A 23 23 ALA HA H 23 4.410 4.315 0.095 1
1 151 . 13 1 1 A 24 24 TRP H H 24 8.100 8.192 -0.092 1
1 152 . 13 1 1 A 24 24 TRP HA H 24 4.130 4.697 -0.567 1
1 158 . 13 1 1 A 25 25 TYR H H 25 6.980 8.830 -1.850 1
1 159 . 13 1 1 A 25 25 TYR HA H 25 3.950 4.821 -0.871 1
1 166 . 13 1 1 A 26 26 ASN H H 26 6.900 8.383 -1.483 1
1 167 . 13 1 1 A 26 26 ASN HA H 26 4.650 4.817 -0.167 1
1 172 . 13 1 1 A 27 27 GLN H H 27 7.780 7.918 -0.138 1
1 173 . 13 1 1 A 27 27 GLN HA H 27 3.860 3.634 0.226 1
1 180 . 13 1 1 A 28 28 GLN H H 28 7.540 7.563 -0.023 1
1 181 . 13 1 1 A 28 28 GLN HA H 28 4.620 4.902 -0.282 1
1 186 . 13 1 1 A 29 29 SER H H 29 8.480 8.824 -0.344 1
1 187 . 13 1 1 A 29 29 SER HA H 29 5.300 5.182 0.118 1
1 190 . 13 1 1 A 30 30 SER H H 30 8.540 8.866 -0.326 1
1 191 . 13 1 1 A 30 30 SER HA H 30 5.310 5.020 0.290 1
1 194 . 13 1 1 A 31 31 CYS H H 31 9.100 8.674 0.426 1
1 195 . 13 1 1 A 31 31 CYS HA H 31 5.340 5.354 -0.014 1
1 198 . 13 1 1 A 32 32 GLU H H 32 9.550 8.942 0.608 1
1 199 . 13 1 1 A 32 32 GLU HA H 32 4.960 4.920 0.040 1
1 204 . 13 1 1 A 33 33 ARG H H 33 9.310 9.081 0.229 1
1 205 . 13 1 1 A 33 33 ARG HA H 33 3.810 4.175 -0.365 1
1 213 . 13 1 1 A 34 34 LYS H H 34 8.240 9.152 -0.912 1
1 214 . 13 1 1 A 34 34 LYS HA H 34 4.160 4.109 0.051 1
1 226 . 13 1 1 A 35 35 TRP H H 35 7.850 7.915 -0.065 1
1 227 . 13 1 1 A 35 35 TRP HA H 35 4.690 4.720 -0.030 1
1 235 . 13 1 1 A 36 36 LYS H H 36 8.360 7.933 0.427 1
1 236 . 13 1 1 A 36 36 LYS HA H 36 3.970 3.485 0.485 1
1 248 . 13 1 1 A 37 37 TYR H H 37 7.750 7.233 0.517 1
1 249 . 13 1 1 A 37 37 TYR HA H 37 4.520 4.768 -0.248 1
1 254 . 13 1 1 A 38 38 LEU H H 38 8.020 7.353 0.667 1
1 255 . 13 1 1 A 38 38 LEU HA H 38 4.200 4.391 -0.191 1
1 265 . 13 1 1 A 39 39 PHE H H 39 7.890 8.909 -1.019 1
1 266 . 13 1 1 A 39 39 PHE HA H 39 4.530 4.105 0.425 1
1 271 . 13 1 1 A 40 40 THR H H 40 8.060 8.482 -0.422 1
1 272 . 13 1 1 A 40 40 THR HA H 40 4.170 3.818 0.352 1
1 274 . 13 1 1 A 41 41 GLY H H 41 7.500 8.101 -0.601 1
1 275 . 13 1 1 A 41 41 GLY HA2 H 41 3.700 4.080 -0.380 1
1 276 . 13 1 1 A 41 41 GLY HA3 H 41 3.910 4.282 -0.372 1
1 277 . 13 1 1 A 42 42 GLU H H 42 7.880 8.435 -0.555 1
1 278 . 13 1 1 A 42 42 GLU HA H 42 4.350 3.997 0.353 1
1 4 . 14 1 1 A 2 2 GLY H H 2 8.950 8.504 0.446 1
1 5 . 14 1 1 A 2 2 GLY HA2 H 2 3.740 3.865 -0.125 1
1 6 . 14 1 1 A 2 2 GLY HA3 H 2 4.140 3.899 0.241 1
1 7 . 14 1 1 A 3 3 SER H H 3 8.270 8.420 -0.150 1
1 8 . 14 1 1 A 3 3 SER HA H 3 3.470 4.305 -0.835 1
1 11 . 14 1 1 A 4 4 LYS H H 4 7.160 6.739 0.421 1
1 12 . 14 1 1 A 4 4 LYS HA H 4 3.690 3.990 -0.300 1
1 22 . 14 1 1 A 5 5 ARG H H 5 8.770 8.790 -0.020 1
1 23 . 14 1 1 A 5 5 ARG HA H 5 3.660 3.946 -0.286 1
1 31 . 14 1 1 A 6 6 ALA H H 6 8.160 7.143 1.017 1
1 32 . 14 1 1 A 6 6 ALA HA H 6 4.160 4.756 -0.596 1
1 36 . 14 1 1 A 7 7 TRP H H 7 8.320 8.775 -0.455 1
1 37 . 14 1 1 A 7 7 TRP HA H 7 4.600 5.612 -1.012 1
1 43 . 14 1 1 A 8 8 CYS H H 8 7.140 7.962 -0.822 1
1 44 . 14 1 1 A 8 8 CYS HA H 8 4.390 4.697 -0.307 1
1 47 . 14 1 1 A 9 9 LYS H H 9 8.640 8.489 0.151 1
1 48 . 14 1 1 A 9 9 LYS HA H 9 4.280 4.136 0.144 1
1 60 . 14 1 1 A 10 10 GLU H H 10 8.010 7.674 0.336 1
1 61 . 14 1 1 A 10 10 GLU HA H 10 4.690 4.803 -0.113 1
1 66 . 14 1 1 A 11 11 LYS H H 11 8.970 8.675 0.295 1
1 67 . 14 1 1 A 11 11 LYS HA H 11 3.780 3.960 -0.180 1
1 79 . 14 1 1 A 12 12 LYS H H 12 8.270 8.075 0.195 1
1 80 . 14 1 1 A 12 12 LYS HA H 12 4.310 4.179 0.131 1
1 92 . 14 1 1 A 13 13 ASP H H 13 7.840 7.576 0.264 1
1 93 . 14 1 1 A 13 13 ASP HA H 13 4.590 4.643 -0.053 1
1 96 . 14 1 1 A 14 14 CYS H H 14 8.280 7.419 0.861 1
1 97 . 14 1 1 A 14 14 CYS HA H 14 5.190 4.664 0.526 1
1 100 . 14 1 1 A 15 15 CYS H H 15 9.460 8.621 0.839 1
1 101 . 14 1 1 A 15 15 CYS HA H 15 4.620 4.334 0.286 1
1 104 . 14 1 1 A 16 16 CYS H H 16 8.720 8.559 0.161 1
1 105 . 14 1 1 A 16 16 CYS HA H 16 4.470 3.973 0.497 1
1 108 . 14 1 1 A 17 17 GLY H H 17 9.330 8.367 0.963 1
1 109 . 14 1 1 A 17 17 GLY HA2 H 17 3.230 3.616 -0.386 1
1 110 . 14 1 1 A 17 17 GLY HA3 H 17 4.040 3.640 0.400 1
1 111 . 14 1 1 A 18 18 TYR H H 18 8.200 7.717 0.483 1
1 112 . 14 1 1 A 18 18 TYR HA H 18 4.700 5.451 -0.751 1
1 119 . 14 1 1 A 19 19 ASN H H 19 8.980 9.057 -0.077 1
1 120 . 14 1 1 A 19 19 ASN HA H 19 4.970 5.874 -0.904 1
1 125 . 14 1 1 A 20 20 CYS H H 20 8.680 9.075 -0.395 1
1 126 . 14 1 1 A 20 20 CYS HA H 20 4.870 5.385 -0.515 1
1 129 . 14 1 1 A 21 21 VAL H H 21 9.000 8.484 0.516 1
1 130 . 14 1 1 A 21 21 VAL HA H 21 4.310 4.836 -0.526 1
1 138 . 14 1 1 A 22 22 TYR H H 22 8.790 8.842 -0.052 1
1 139 . 14 1 1 A 22 22 TYR HA H 22 4.570 4.641 -0.071 1
1 146 . 14 1 1 A 23 23 ALA H H 23 7.970 8.162 -0.192 1
1 147 . 14 1 1 A 23 23 ALA HA H 23 4.410 3.783 0.627 1
1 151 . 14 1 1 A 24 24 TRP H H 24 8.100 6.864 1.236 1
1 152 . 14 1 1 A 24 24 TRP HA H 24 4.130 4.001 0.129 1
1 158 . 14 1 1 A 25 25 TYR H H 25 6.980 8.708 -1.728 1
1 159 . 14 1 1 A 25 25 TYR HA H 25 3.950 4.325 -0.375 1
1 166 . 14 1 1 A 26 26 ASN H H 26 6.900 6.733 0.167 1
1 167 . 14 1 1 A 26 26 ASN HA H 26 4.650 4.727 -0.077 1
1 172 . 14 1 1 A 27 27 GLN H H 27 7.780 7.708 0.072 1
1 173 . 14 1 1 A 27 27 GLN HA H 27 3.860 3.599 0.261 1
1 180 . 14 1 1 A 28 28 GLN H H 28 7.540 7.339 0.201 1
1 181 . 14 1 1 A 28 28 GLN HA H 28 4.620 4.979 -0.359 1
1 186 . 14 1 1 A 29 29 SER H H 29 8.480 9.138 -0.658 1
1 187 . 14 1 1 A 29 29 SER HA H 29 5.300 5.210 0.090 1
1 190 . 14 1 1 A 30 30 SER H H 30 8.540 8.786 -0.246 1
1 191 . 14 1 1 A 30 30 SER HA H 30 5.310 5.358 -0.048 1
1 194 . 14 1 1 A 31 31 CYS H H 31 9.100 9.025 0.075 1
1 195 . 14 1 1 A 31 31 CYS HA H 31 5.340 5.549 -0.209 1
1 198 . 14 1 1 A 32 32 GLU H H 32 9.550 8.974 0.576 1
1 199 . 14 1 1 A 32 32 GLU HA H 32 4.960 5.007 -0.047 1
1 204 . 14 1 1 A 33 33 ARG H H 33 9.310 8.603 0.707 1
1 205 . 14 1 1 A 33 33 ARG HA H 33 3.810 4.586 -0.776 1
1 213 . 14 1 1 A 34 34 LYS H H 34 8.240 8.206 0.034 1
1 214 . 14 1 1 A 34 34 LYS HA H 34 4.160 4.359 -0.199 1
1 226 . 14 1 1 A 35 35 TRP H H 35 7.850 7.510 0.340 1
1 227 . 14 1 1 A 35 35 TRP HA H 35 4.690 5.223 -0.533 1
1 235 . 14 1 1 A 36 36 LYS H H 36 8.360 8.851 -0.491 1
1 236 . 14 1 1 A 36 36 LYS HA H 36 3.970 3.996 -0.026 1
1 248 . 14 1 1 A 37 37 TYR H H 37 7.750 7.960 -0.210 1
1 249 . 14 1 1 A 37 37 TYR HA H 37 4.520 5.045 -0.525 1
1 254 . 14 1 1 A 38 38 LEU H H 38 8.020 8.059 -0.039 1
1 255 . 14 1 1 A 38 38 LEU HA H 38 4.200 4.496 -0.296 1
1 265 . 14 1 1 A 39 39 PHE H H 39 7.890 8.153 -0.263 1
1 266 . 14 1 1 A 39 39 PHE HA H 39 4.530 4.765 -0.235 1
1 271 . 14 1 1 A 40 40 THR H H 40 8.060 7.833 0.227 1
1 272 . 14 1 1 A 40 40 THR HA H 40 4.170 4.713 -0.543 1
1 274 . 14 1 1 A 41 41 GLY H H 41 7.500 8.565 -1.065 1
1 275 . 14 1 1 A 41 41 GLY HA2 H 41 3.700 4.175 -0.475 1
1 276 . 14 1 1 A 41 41 GLY HA3 H 41 3.910 4.210 -0.300 1
1 277 . 14 1 1 A 42 42 GLU H H 42 7.880 8.419 -0.539 1
1 278 . 14 1 1 A 42 42 GLU HA H 42 4.350 4.698 -0.348 1
1 4 . 15 1 1 A 2 2 GLY H H 2 8.950 8.272 0.678 1
1 5 . 15 1 1 A 2 2 GLY HA2 H 2 3.740 3.843 -0.103 1
1 6 . 15 1 1 A 2 2 GLY HA3 H 2 4.140 3.846 0.294 1
1 7 . 15 1 1 A 3 3 SER H H 3 8.270 8.592 -0.322 1
1 8 . 15 1 1 A 3 3 SER HA H 3 3.470 4.454 -0.984 1
1 11 . 15 1 1 A 4 4 LYS H H 4 7.160 7.637 -0.477 1
1 12 . 15 1 1 A 4 4 LYS HA H 4 3.690 3.584 0.106 1
1 22 . 15 1 1 A 5 5 ARG H H 5 8.770 8.680 0.090 1
1 23 . 15 1 1 A 5 5 ARG HA H 5 3.660 3.907 -0.247 1
1 31 . 15 1 1 A 6 6 ALA H H 6 8.160 7.580 0.580 1
1 32 . 15 1 1 A 6 6 ALA HA H 6 4.160 4.626 -0.466 1
1 36 . 15 1 1 A 7 7 TRP H H 7 8.320 8.872 -0.552 1
1 37 . 15 1 1 A 7 7 TRP HA H 7 4.600 5.496 -0.896 1
1 43 . 15 1 1 A 8 8 CYS H H 8 7.140 8.169 -1.029 1
1 44 . 15 1 1 A 8 8 CYS HA H 8 4.390 4.600 -0.210 1
1 47 . 15 1 1 A 9 9 LYS H H 9 8.640 8.295 0.345 1
1 48 . 15 1 1 A 9 9 LYS HA H 9 4.280 4.317 -0.037 1
1 60 . 15 1 1 A 10 10 GLU H H 10 8.010 7.496 0.514 1
1 61 . 15 1 1 A 10 10 GLU HA H 10 4.690 4.536 0.154 1
1 66 . 15 1 1 A 11 11 LYS H H 11 8.970 8.489 0.481 1
1 67 . 15 1 1 A 11 11 LYS HA H 11 3.780 3.945 -0.165 1
1 79 . 15 1 1 A 12 12 LYS H H 12 8.270 7.831 0.439 1
1 80 . 15 1 1 A 12 12 LYS HA H 12 4.310 4.075 0.235 1
1 92 . 15 1 1 A 13 13 ASP H H 13 7.840 8.038 -0.198 1
1 93 . 15 1 1 A 13 13 ASP HA H 13 4.590 4.362 0.228 1
1 96 . 15 1 1 A 14 14 CYS H H 14 8.280 7.255 1.025 1
1 97 . 15 1 1 A 14 14 CYS HA H 14 5.190 4.501 0.689 1
1 100 . 15 1 1 A 15 15 CYS H H 15 9.460 8.623 0.837 1
1 101 . 15 1 1 A 15 15 CYS HA H 15 4.620 4.463 0.157 1
1 104 . 15 1 1 A 16 16 CYS H H 16 8.720 8.130 0.590 1
1 105 . 15 1 1 A 16 16 CYS HA H 16 4.470 4.642 -0.172 1
1 108 . 15 1 1 A 17 17 GLY H H 17 9.330 9.098 0.232 1
1 109 . 15 1 1 A 17 17 GLY HA2 H 17 3.230 4.085 -0.855 1
1 110 . 15 1 1 A 17 17 GLY HA3 H 17 4.040 4.491 -0.451 1
1 111 . 15 1 1 A 18 18 TYR H H 18 8.200 8.704 -0.504 1
1 112 . 15 1 1 A 18 18 TYR HA H 18 4.700 4.902 -0.202 1
1 119 . 15 1 1 A 19 19 ASN H H 19 8.980 9.471 -0.491 1
1 120 . 15 1 1 A 19 19 ASN HA H 19 4.970 5.267 -0.297 1
1 125 . 15 1 1 A 20 20 CYS H H 20 8.680 8.837 -0.157 1
1 126 . 15 1 1 A 20 20 CYS HA H 20 4.870 4.839 0.031 1
1 129 . 15 1 1 A 21 21 VAL H H 21 9.000 8.710 0.290 1
1 130 . 15 1 1 A 21 21 VAL HA H 21 4.310 4.507 -0.197 1
1 138 . 15 1 1 A 22 22 TYR H H 22 8.790 8.661 0.129 1
1 139 . 15 1 1 A 22 22 TYR HA H 22 4.570 4.424 0.146 1
1 146 . 15 1 1 A 23 23 ALA H H 23 7.970 8.208 -0.238 1
1 147 . 15 1 1 A 23 23 ALA HA H 23 4.410 3.884 0.526 1
1 151 . 15 1 1 A 24 24 TRP H H 24 8.100 6.365 1.735 1
1 152 . 15 1 1 A 24 24 TRP HA H 24 4.130 4.426 -0.296 1
1 158 . 15 1 1 A 25 25 TYR H H 25 6.980 8.639 -1.659 1
1 159 . 15 1 1 A 25 25 TYR HA H 25 3.950 4.487 -0.537 1
1 166 . 15 1 1 A 26 26 ASN H H 26 6.900 6.782 0.118 1
1 167 . 15 1 1 A 26 26 ASN HA H 26 4.650 4.744 -0.094 1
1 172 . 15 1 1 A 27 27 GLN H H 27 7.780 8.771 -0.991 1
1 173 . 15 1 1 A 27 27 GLN HA H 27 3.860 3.754 0.106 1
1 180 . 15 1 1 A 28 28 GLN H H 28 7.540 8.563 -1.023 1
1 181 . 15 1 1 A 28 28 GLN HA H 28 4.620 3.989 0.631 1
1 186 . 15 1 1 A 29 29 SER H H 29 8.480 8.920 -0.440 1
1 187 . 15 1 1 A 29 29 SER HA H 29 5.300 5.291 0.009 1
1 190 . 15 1 1 A 30 30 SER H H 30 8.540 8.749 -0.209 1
1 191 . 15 1 1 A 30 30 SER HA H 30 5.310 5.266 0.044 1
1 194 . 15 1 1 A 31 31 CYS H H 31 9.100 8.356 0.744 1
1 195 . 15 1 1 A 31 31 CYS HA H 31 5.340 5.268 0.072 1
1 198 . 15 1 1 A 32 32 GLU H H 32 9.550 9.225 0.325 1
1 199 . 15 1 1 A 32 32 GLU HA H 32 4.960 5.252 -0.292 1
1 204 . 15 1 1 A 33 33 ARG H H 33 9.310 8.604 0.706 1
1 205 . 15 1 1 A 33 33 ARG HA H 33 3.810 4.138 -0.328 1
1 213 . 15 1 1 A 34 34 LYS H H 34 8.240 8.559 -0.319 1
1 214 . 15 1 1 A 34 34 LYS HA H 34 4.160 4.585 -0.425 1
1 226 . 15 1 1 A 35 35 TRP H H 35 7.850 8.465 -0.615 1
1 227 . 15 1 1 A 35 35 TRP HA H 35 4.690 4.811 -0.121 1
1 235 . 15 1 1 A 36 36 LYS H H 36 8.360 7.970 0.390 1
1 236 . 15 1 1 A 36 36 LYS HA H 36 3.970 3.923 0.047 1
1 248 . 15 1 1 A 37 37 TYR H H 37 7.750 8.850 -1.100 1
1 249 . 15 1 1 A 37 37 TYR HA H 37 4.520 4.674 -0.154 1
1 254 . 15 1 1 A 38 38 LEU H H 38 8.020 8.121 -0.101 1
1 255 . 15 1 1 A 38 38 LEU HA H 38 4.200 4.332 -0.132 1
1 265 . 15 1 1 A 39 39 PHE H H 39 7.890 8.920 -1.030 1
1 266 . 15 1 1 A 39 39 PHE HA H 39 4.530 3.986 0.544 1
1 271 . 15 1 1 A 40 40 THR H H 40 8.060 7.566 0.494 1
1 272 . 15 1 1 A 40 40 THR HA H 40 4.170 3.605 0.565 1
1 274 . 15 1 1 A 41 41 GLY H H 41 7.500 8.581 -1.081 1
1 275 . 15 1 1 A 41 41 GLY HA2 H 41 3.700 3.708 -0.008 1
1 276 . 15 1 1 A 41 41 GLY HA3 H 41 3.910 3.805 0.105 1
1 277 . 15 1 1 A 42 42 GLU H H 42 7.880 8.650 -0.770 1
1 278 . 15 1 1 A 42 42 GLU HA H 42 4.350 4.193 0.157 1
1 4 . 16 1 1 A 2 2 GLY H H 2 8.950 8.656 0.294 1
1 5 . 16 1 1 A 2 2 GLY HA2 H 2 3.740 3.904 -0.164 1
1 6 . 16 1 1 A 2 2 GLY HA3 H 2 4.140 3.954 0.186 1
1 7 . 16 1 1 A 3 3 SER H H 3 8.270 8.845 -0.575 1
1 8 . 16 1 1 A 3 3 SER HA H 3 3.470 4.244 -0.774 1
1 11 . 16 1 1 A 4 4 LYS H H 4 7.160 7.952 -0.792 1
1 12 . 16 1 1 A 4 4 LYS HA H 4 3.690 4.090 -0.400 1
1 22 . 16 1 1 A 5 5 ARG H H 5 8.770 9.829 -1.059 1
1 23 . 16 1 1 A 5 5 ARG HA H 5 3.660 4.379 -0.719 1
1 31 . 16 1 1 A 6 6 ALA H H 6 8.160 8.086 0.074 1
1 32 . 16 1 1 A 6 6 ALA HA H 6 4.160 4.764 -0.604 1
1 36 . 16 1 1 A 7 7 TRP H H 7 8.320 8.641 -0.321 1
1 37 . 16 1 1 A 7 7 TRP HA H 7 4.600 5.485 -0.885 1
1 43 . 16 1 1 A 8 8 CYS H H 8 7.140 7.809 -0.669 1
1 44 . 16 1 1 A 8 8 CYS HA H 8 4.390 4.754 -0.364 1
1 47 . 16 1 1 A 9 9 LYS H H 9 8.640 8.602 0.038 1
1 48 . 16 1 1 A 9 9 LYS HA H 9 4.280 4.149 0.131 1
1 60 . 16 1 1 A 10 10 GLU H H 10 8.010 7.521 0.489 1
1 61 . 16 1 1 A 10 10 GLU HA H 10 4.690 4.477 0.213 1
1 66 . 16 1 1 A 11 11 LYS H H 11 8.970 8.542 0.428 1
1 67 . 16 1 1 A 11 11 LYS HA H 11 3.780 3.887 -0.107 1
1 79 . 16 1 1 A 12 12 LYS H H 12 8.270 7.516 0.754 1
1 80 . 16 1 1 A 12 12 LYS HA H 12 4.310 4.093 0.217 1
1 92 . 16 1 1 A 13 13 ASP H H 13 7.840 8.051 -0.211 1
1 93 . 16 1 1 A 13 13 ASP HA H 13 4.590 4.441 0.149 1
1 96 . 16 1 1 A 14 14 CYS H H 14 8.280 7.621 0.659 1
1 97 . 16 1 1 A 14 14 CYS HA H 14 5.190 4.418 0.772 1
1 100 . 16 1 1 A 15 15 CYS H H 15 9.460 8.495 0.965 1
1 101 . 16 1 1 A 15 15 CYS HA H 15 4.620 4.336 0.284 1
1 104 . 16 1 1 A 16 16 CYS H H 16 8.720 8.587 0.133 1
1 105 . 16 1 1 A 16 16 CYS HA H 16 4.470 4.160 0.310 1
1 108 . 16 1 1 A 17 17 GLY H H 17 9.330 8.687 0.643 1
1 109 . 16 1 1 A 17 17 GLY HA2 H 17 3.230 3.760 -0.530 1
1 110 . 16 1 1 A 17 17 GLY HA3 H 17 4.040 3.867 0.173 1
1 111 . 16 1 1 A 18 18 TYR H H 18 8.200 7.939 0.261 1
1 112 . 16 1 1 A 18 18 TYR HA H 18 4.700 5.129 -0.429 1
1 119 . 16 1 1 A 19 19 ASN H H 19 8.980 9.504 -0.524 1
1 120 . 16 1 1 A 19 19 ASN HA H 19 4.970 5.361 -0.391 1
1 125 . 16 1 1 A 20 20 CYS H H 20 8.680 8.648 0.032 1
1 126 . 16 1 1 A 20 20 CYS HA H 20 4.870 5.380 -0.510 1
1 129 . 16 1 1 A 21 21 VAL H H 21 9.000 8.385 0.615 1
1 130 . 16 1 1 A 21 21 VAL HA H 21 4.310 4.646 -0.336 1
1 138 . 16 1 1 A 22 22 TYR H H 22 8.790 8.930 -0.140 1
1 139 . 16 1 1 A 22 22 TYR HA H 22 4.570 4.807 -0.237 1
1 146 . 16 1 1 A 23 23 ALA H H 23 7.970 8.431 -0.461 1
1 147 . 16 1 1 A 23 23 ALA HA H 23 4.410 4.660 -0.250 1
1 151 . 16 1 1 A 24 24 TRP H H 24 8.100 8.829 -0.729 1
1 152 . 16 1 1 A 24 24 TRP HA H 24 4.130 4.458 -0.328 1
1 158 . 16 1 1 A 25 25 TYR H H 25 6.980 9.051 -2.071 1
1 159 . 16 1 1 A 25 25 TYR HA H 25 3.950 4.182 -0.232 1
1 166 . 16 1 1 A 26 26 ASN H H 26 6.900 8.203 -1.303 1
1 167 . 16 1 1 A 26 26 ASN HA H 26 4.650 4.187 0.463 1
1 172 . 16 1 1 A 27 27 GLN H H 27 7.780 7.385 0.395 1
1 173 . 16 1 1 A 27 27 GLN HA H 27 3.860 5.158 -1.298 1
1 180 . 16 1 1 A 28 28 GLN H H 28 7.540 7.723 -0.183 1
1 181 . 16 1 1 A 28 28 GLN HA H 28 4.620 5.321 -0.701 1
1 186 . 16 1 1 A 29 29 SER H H 29 8.480 9.020 -0.540 1
1 187 . 16 1 1 A 29 29 SER HA H 29 5.300 5.593 -0.293 1
1 190 . 16 1 1 A 30 30 SER H H 30 8.540 8.596 -0.056 1
1 191 . 16 1 1 A 30 30 SER HA H 30 5.310 5.401 -0.091 1
1 194 . 16 1 1 A 31 31 CYS H H 31 9.100 8.617 0.483 1
1 195 . 16 1 1 A 31 31 CYS HA H 31 5.340 4.843 0.497 1
1 198 . 16 1 1 A 32 32 GLU H H 32 9.550 9.409 0.141 1
1 199 . 16 1 1 A 32 32 GLU HA H 32 4.960 5.128 -0.168 1
1 204 . 16 1 1 A 33 33 ARG H H 33 9.310 8.529 0.781 1
1 205 . 16 1 1 A 33 33 ARG HA H 33 3.810 4.256 -0.446 1
1 213 . 16 1 1 A 34 34 LYS H H 34 8.240 8.736 -0.496 1
1 214 . 16 1 1 A 34 34 LYS HA H 34 4.160 4.789 -0.629 1
1 226 . 16 1 1 A 35 35 TRP H H 35 7.850 7.985 -0.135 1
1 227 . 16 1 1 A 35 35 TRP HA H 35 4.690 5.557 -0.867 1
1 235 . 16 1 1 A 36 36 LYS H H 36 8.360 8.853 -0.493 1
1 236 . 16 1 1 A 36 36 LYS HA H 36 3.970 4.218 -0.248 1
1 248 . 16 1 1 A 37 37 TYR H H 37 7.750 8.307 -0.557 1
1 249 . 16 1 1 A 37 37 TYR HA H 37 4.520 4.509 0.011 1
1 254 . 16 1 1 A 38 38 LEU H H 38 8.020 8.487 -0.467 1
1 255 . 16 1 1 A 38 38 LEU HA H 38 4.200 4.371 -0.171 1
1 265 . 16 1 1 A 39 39 PHE H H 39 7.890 8.810 -0.920 1
1 266 . 16 1 1 A 39 39 PHE HA H 39 4.530 4.525 0.005 1
1 271 . 16 1 1 A 40 40 THR H H 40 8.060 9.248 -1.188 1
1 272 . 16 1 1 A 40 40 THR HA H 40 4.170 4.393 -0.223 1
1 274 . 16 1 1 A 41 41 GLY H H 41 7.500 8.459 -0.959 1
1 275 . 16 1 1 A 41 41 GLY HA2 H 41 3.700 4.049 -0.349 1
1 276 . 16 1 1 A 41 41 GLY HA3 H 41 3.910 4.051 -0.141 1
1 277 . 16 1 1 A 42 42 GLU H H 42 7.880 8.904 -1.024 1
1 278 . 16 1 1 A 42 42 GLU HA H 42 4.350 5.186 -0.836 1
1 4 . 17 1 1 A 2 2 GLY H H 2 8.950 8.675 0.275 1
1 5 . 17 1 1 A 2 2 GLY HA2 H 2 3.740 3.847 -0.107 1
1 6 . 17 1 1 A 2 2 GLY HA3 H 2 4.140 3.880 0.260 1
1 7 . 17 1 1 A 3 3 SER H H 3 8.270 8.685 -0.415 1
1 8 . 17 1 1 A 3 3 SER HA H 3 3.470 3.889 -0.419 1
1 11 . 17 1 1 A 4 4 LYS H H 4 7.160 6.741 0.419 1
1 12 . 17 1 1 A 4 4 LYS HA H 4 3.690 3.933 -0.243 1
1 22 . 17 1 1 A 5 5 ARG H H 5 8.770 8.537 0.233 1
1 23 . 17 1 1 A 5 5 ARG HA H 5 3.660 3.937 -0.277 1
1 31 . 17 1 1 A 6 6 ALA H H 6 8.160 7.589 0.571 1
1 32 . 17 1 1 A 6 6 ALA HA H 6 4.160 4.709 -0.549 1
1 36 . 17 1 1 A 7 7 TRP H H 7 8.320 8.770 -0.450 1
1 37 . 17 1 1 A 7 7 TRP HA H 7 4.600 5.106 -0.506 1
1 43 . 17 1 1 A 8 8 CYS H H 8 7.140 8.094 -0.954 1
1 44 . 17 1 1 A 8 8 CYS HA H 8 4.390 4.903 -0.513 1
1 47 . 17 1 1 A 9 9 LYS H H 9 8.640 8.574 0.066 1
1 48 . 17 1 1 A 9 9 LYS HA H 9 4.280 4.406 -0.126 1
1 60 . 17 1 1 A 10 10 GLU H H 10 8.010 7.742 0.268 1
1 61 . 17 1 1 A 10 10 GLU HA H 10 4.690 4.840 -0.150 1
1 66 . 17 1 1 A 11 11 LYS H H 11 8.970 8.700 0.270 1
1 67 . 17 1 1 A 11 11 LYS HA H 11 3.780 3.939 -0.159 1
1 79 . 17 1 1 A 12 12 LYS H H 12 8.270 8.115 0.155 1
1 80 . 17 1 1 A 12 12 LYS HA H 12 4.310 4.147 0.163 1
1 92 . 17 1 1 A 13 13 ASP H H 13 7.840 8.069 -0.229 1
1 93 . 17 1 1 A 13 13 ASP HA H 13 4.590 4.451 0.139 1
1 96 . 17 1 1 A 14 14 CYS H H 14 8.280 7.580 0.700 1
1 97 . 17 1 1 A 14 14 CYS HA H 14 5.190 4.612 0.578 1
1 100 . 17 1 1 A 15 15 CYS H H 15 9.460 8.260 1.200 1
1 101 . 17 1 1 A 15 15 CYS HA H 15 4.620 4.346 0.274 1
1 104 . 17 1 1 A 16 16 CYS H H 16 8.720 8.538 0.182 1
1 105 . 17 1 1 A 16 16 CYS HA H 16 4.470 4.160 0.310 1
1 108 . 17 1 1 A 17 17 GLY H H 17 9.330 8.818 0.512 1
1 109 . 17 1 1 A 17 17 GLY HA2 H 17 3.230 3.628 -0.398 1
1 110 . 17 1 1 A 17 17 GLY HA3 H 17 4.040 3.845 0.195 1
1 111 . 17 1 1 A 18 18 TYR H H 18 8.200 8.178 0.022 1
1 112 . 17 1 1 A 18 18 TYR HA H 18 4.700 5.369 -0.669 1
1 119 . 17 1 1 A 19 19 ASN H H 19 8.980 9.137 -0.157 1
1 120 . 17 1 1 A 19 19 ASN HA H 19 4.970 5.471 -0.501 1
1 125 . 17 1 1 A 20 20 CYS H H 20 8.680 8.698 -0.018 1
1 126 . 17 1 1 A 20 20 CYS HA H 20 4.870 5.140 -0.270 1
1 129 . 17 1 1 A 21 21 VAL H H 21 9.000 8.659 0.341 1
1 130 . 17 1 1 A 21 21 VAL HA H 21 4.310 4.650 -0.340 1
1 138 . 17 1 1 A 22 22 TYR H H 22 8.790 9.103 -0.313 1
1 139 . 17 1 1 A 22 22 TYR HA H 22 4.570 4.946 -0.376 1
1 146 . 17 1 1 A 23 23 ALA H H 23 7.970 8.224 -0.254 1
1 147 . 17 1 1 A 23 23 ALA HA H 23 4.410 4.674 -0.264 1
1 151 . 17 1 1 A 24 24 TRP H H 24 8.100 8.836 -0.736 1
1 152 . 17 1 1 A 24 24 TRP HA H 24 4.130 4.532 -0.402 1
1 158 . 17 1 1 A 25 25 TYR H H 25 6.980 7.377 -0.397 1
1 159 . 17 1 1 A 25 25 TYR HA H 25 3.950 3.988 -0.038 1
1 166 . 17 1 1 A 26 26 ASN H H 26 6.900 8.843 -1.943 1
1 167 . 17 1 1 A 26 26 ASN HA H 26 4.650 4.325 0.325 1
1 172 . 17 1 1 A 27 27 GLN H H 27 7.780 8.017 -0.237 1
1 173 . 17 1 1 A 27 27 GLN HA H 27 3.860 4.235 -0.375 1
1 180 . 17 1 1 A 28 28 GLN H H 28 7.540 8.685 -1.145 1
1 181 . 17 1 1 A 28 28 GLN HA H 28 4.620 4.203 0.417 1
1 186 . 17 1 1 A 29 29 SER H H 29 8.480 8.939 -0.459 1
1 187 . 17 1 1 A 29 29 SER HA H 29 5.300 5.177 0.123 1
1 190 . 17 1 1 A 30 30 SER H H 30 8.540 8.943 -0.403 1
1 191 . 17 1 1 A 30 30 SER HA H 30 5.310 5.304 0.006 1
1 194 . 17 1 1 A 31 31 CYS H H 31 9.100 10.551 -1.451 1
1 195 . 17 1 1 A 31 31 CYS HA H 31 5.340 5.409 -0.069 1
1 198 . 17 1 1 A 32 32 GLU H H 32 9.550 9.107 0.443 1
1 199 . 17 1 1 A 32 32 GLU HA H 32 4.960 5.100 -0.140 1
1 204 . 17 1 1 A 33 33 ARG H H 33 9.310 8.784 0.526 1
1 205 . 17 1 1 A 33 33 ARG HA H 33 3.810 4.491 -0.681 1
1 213 . 17 1 1 A 34 34 LYS H H 34 8.240 8.428 -0.188 1
1 214 . 17 1 1 A 34 34 LYS HA H 34 4.160 4.893 -0.733 1
1 226 . 17 1 1 A 35 35 TRP H H 35 7.850 8.858 -1.008 1
1 227 . 17 1 1 A 35 35 TRP HA H 35 4.690 5.490 -0.800 1
1 235 . 17 1 1 A 36 36 LYS H H 36 8.360 8.913 -0.553 1
1 236 . 17 1 1 A 36 36 LYS HA H 36 3.970 4.120 -0.150 1
1 248 . 17 1 1 A 37 37 TYR H H 37 7.750 7.280 0.470 1
1 249 . 17 1 1 A 37 37 TYR HA H 37 4.520 3.590 0.930 1
1 254 . 17 1 1 A 38 38 LEU H H 38 8.020 7.215 0.805 1
1 255 . 17 1 1 A 38 38 LEU HA H 38 4.200 4.075 0.125 1
1 265 . 17 1 1 A 39 39 PHE H H 39 7.890 7.653 0.237 1
1 266 . 17 1 1 A 39 39 PHE HA H 39 4.530 4.339 0.191 1
1 271 . 17 1 1 A 40 40 THR H H 40 8.060 8.888 -0.828 1
1 272 . 17 1 1 A 40 40 THR HA H 40 4.170 4.622 -0.452 1
1 274 . 17 1 1 A 41 41 GLY H H 41 7.500 8.065 -0.565 1
1 275 . 17 1 1 A 41 41 GLY HA2 H 41 3.700 3.980 -0.280 1
1 276 . 17 1 1 A 41 41 GLY HA3 H 41 3.910 3.986 -0.076 1
1 277 . 17 1 1 A 42 42 GLU H H 42 7.880 8.435 -0.555 1
1 278 . 17 1 1 A 42 42 GLU HA H 42 4.350 5.040 -0.690 1
1 4 . 18 1 1 A 2 2 GLY H H 2 8.950 8.447 0.503 1
1 5 . 18 1 1 A 2 2 GLY HA2 H 2 3.740 3.913 -0.173 1
1 6 . 18 1 1 A 2 2 GLY HA3 H 2 4.140 3.986 0.154 1
1 7 . 18 1 1 A 3 3 SER H H 3 8.270 8.805 -0.535 1
1 8 . 18 1 1 A 3 3 SER HA H 3 3.470 4.275 -0.805 1
1 11 . 18 1 1 A 4 4 LYS H H 4 7.160 7.074 0.086 1
1 12 . 18 1 1 A 4 4 LYS HA H 4 3.690 3.554 0.136 1
1 22 . 18 1 1 A 5 5 ARG H H 5 8.770 9.213 -0.443 1
1 23 . 18 1 1 A 5 5 ARG HA H 5 3.660 4.296 -0.636 1
1 31 . 18 1 1 A 6 6 ALA H H 6 8.160 7.243 0.917 1
1 32 . 18 1 1 A 6 6 ALA HA H 6 4.160 4.603 -0.443 1
1 36 . 18 1 1 A 7 7 TRP H H 7 8.320 8.729 -0.409 1
1 37 . 18 1 1 A 7 7 TRP HA H 7 4.600 5.188 -0.588 1
1 43 . 18 1 1 A 8 8 CYS H H 8 7.140 7.839 -0.699 1
1 44 . 18 1 1 A 8 8 CYS HA H 8 4.390 4.417 -0.027 1
1 47 . 18 1 1 A 9 9 LYS H H 9 8.640 8.435 0.205 1
1 48 . 18 1 1 A 9 9 LYS HA H 9 4.280 4.132 0.148 1
1 60 . 18 1 1 A 10 10 GLU H H 10 8.010 7.566 0.444 1
1 61 . 18 1 1 A 10 10 GLU HA H 10 4.690 4.685 0.005 1
1 66 . 18 1 1 A 11 11 LYS H H 11 8.970 8.547 0.423 1
1 67 . 18 1 1 A 11 11 LYS HA H 11 3.780 3.897 -0.117 1
1 79 . 18 1 1 A 12 12 LYS H H 12 8.270 7.806 0.464 1
1 80 . 18 1 1 A 12 12 LYS HA H 12 4.310 4.091 0.219 1
1 92 . 18 1 1 A 13 13 ASP H H 13 7.840 7.946 -0.106 1
1 93 . 18 1 1 A 13 13 ASP HA H 13 4.590 4.590 0.000 1
1 96 . 18 1 1 A 14 14 CYS H H 14 8.280 7.527 0.753 1
1 97 . 18 1 1 A 14 14 CYS HA H 14 5.190 4.584 0.606 1
1 100 . 18 1 1 A 15 15 CYS H H 15 9.460 8.637 0.823 1
1 101 . 18 1 1 A 15 15 CYS HA H 15 4.620 4.560 0.060 1
1 104 . 18 1 1 A 16 16 CYS H H 16 8.720 8.618 0.102 1
1 105 . 18 1 1 A 16 16 CYS HA H 16 4.470 4.219 0.251 1
1 108 . 18 1 1 A 17 17 GLY H H 17 9.330 8.576 0.754 1
1 109 . 18 1 1 A 17 17 GLY HA2 H 17 3.230 3.433 -0.203 1
1 110 . 18 1 1 A 17 17 GLY HA3 H 17 4.040 3.667 0.373 1
1 111 . 18 1 1 A 18 18 TYR H H 18 8.200 7.850 0.350 1
1 112 . 18 1 1 A 18 18 TYR HA H 18 4.700 5.152 -0.452 1
1 119 . 18 1 1 A 19 19 ASN H H 19 8.980 8.926 0.054 1
1 120 . 18 1 1 A 19 19 ASN HA H 19 4.970 5.547 -0.577 1
1 125 . 18 1 1 A 20 20 CYS H H 20 8.680 8.689 -0.009 1
1 126 . 18 1 1 A 20 20 CYS HA H 20 4.870 5.012 -0.142 1
1 129 . 18 1 1 A 21 21 VAL H H 21 9.000 9.174 -0.174 1
1 130 . 18 1 1 A 21 21 VAL HA H 21 4.310 4.565 -0.255 1
1 138 . 18 1 1 A 22 22 TYR H H 22 8.790 9.009 -0.219 1
1 139 . 18 1 1 A 22 22 TYR HA H 22 4.570 4.759 -0.189 1
1 146 . 18 1 1 A 23 23 ALA H H 23 7.970 7.626 0.344 1
1 147 . 18 1 1 A 23 23 ALA HA H 23 4.410 3.337 1.073 1
1 151 . 18 1 1 A 24 24 TRP H H 24 8.100 8.024 0.076 1
1 152 . 18 1 1 A 24 24 TRP HA H 24 4.130 5.058 -0.928 1
1 158 . 18 1 1 A 25 25 TYR H H 25 6.980 8.892 -1.912 1
1 159 . 18 1 1 A 25 25 TYR HA H 25 3.950 4.560 -0.610 1
1 166 . 18 1 1 A 26 26 ASN H H 26 6.900 7.166 -0.266 1
1 167 . 18 1 1 A 26 26 ASN HA H 26 4.650 4.277 0.373 1
1 172 . 18 1 1 A 27 27 GLN H H 27 7.780 7.861 -0.081 1
1 173 . 18 1 1 A 27 27 GLN HA H 27 3.860 3.960 -0.100 1
1 180 . 18 1 1 A 28 28 GLN H H 28 7.540 8.609 -1.069 1
1 181 . 18 1 1 A 28 28 GLN HA H 28 4.620 4.238 0.382 1
1 186 . 18 1 1 A 29 29 SER H H 29 8.480 8.716 -0.236 1
1 187 . 18 1 1 A 29 29 SER HA H 29 5.300 5.332 -0.032 1
1 190 . 18 1 1 A 30 30 SER H H 30 8.540 9.196 -0.656 1
1 191 . 18 1 1 A 30 30 SER HA H 30 5.310 5.073 0.237 1
1 194 . 18 1 1 A 31 31 CYS H H 31 9.100 9.737 -0.637 1
1 195 . 18 1 1 A 31 31 CYS HA H 31 5.340 6.892 -1.552 1
1 198 . 18 1 1 A 32 32 GLU H H 32 9.550 9.082 0.468 1
1 199 . 18 1 1 A 32 32 GLU HA H 32 4.960 5.160 -0.200 1
1 204 . 18 1 1 A 33 33 ARG H H 33 9.310 8.820 0.490 1
1 205 . 18 1 1 A 33 33 ARG HA H 33 3.810 4.310 -0.500 1
1 213 . 18 1 1 A 34 34 LYS H H 34 8.240 8.806 -0.566 1
1 214 . 18 1 1 A 34 34 LYS HA H 34 4.160 4.510 -0.350 1
1 226 . 18 1 1 A 35 35 TRP H H 35 7.850 8.027 -0.177 1
1 227 . 18 1 1 A 35 35 TRP HA H 35 4.690 4.416 0.274 1
1 235 . 18 1 1 A 36 36 LYS H H 36 8.360 9.101 -0.741 1
1 236 . 18 1 1 A 36 36 LYS HA H 36 3.970 4.661 -0.691 1
1 248 . 18 1 1 A 37 37 TYR H H 37 7.750 7.767 -0.017 1
1 249 . 18 1 1 A 37 37 TYR HA H 37 4.520 4.760 -0.240 1
1 254 . 18 1 1 A 38 38 LEU H H 38 8.020 7.596 0.424 1
1 255 . 18 1 1 A 38 38 LEU HA H 38 4.200 4.489 -0.289 1
1 265 . 18 1 1 A 39 39 PHE H H 39 7.890 8.783 -0.893 1
1 266 . 18 1 1 A 39 39 PHE HA H 39 4.530 4.085 0.445 1
1 271 . 18 1 1 A 40 40 THR H H 40 8.060 7.794 0.266 1
1 272 . 18 1 1 A 40 40 THR HA H 40 4.170 4.183 -0.013 1
1 274 . 18 1 1 A 41 41 GLY H H 41 7.500 8.800 -1.300 1
1 275 . 18 1 1 A 41 41 GLY HA2 H 41 3.700 3.975 -0.275 1
1 276 . 18 1 1 A 41 41 GLY HA3 H 41 3.910 3.977 -0.067 1
1 277 . 18 1 1 A 42 42 GLU H H 42 7.880 7.895 -0.015 1
1 278 . 18 1 1 A 42 42 GLU HA H 42 4.350 4.362 -0.012 1
1 4 . 19 1 1 A 2 2 GLY H H 2 8.950 8.407 0.543 1
1 5 . 19 1 1 A 2 2 GLY HA2 H 2 3.740 3.810 -0.070 1
1 6 . 19 1 1 A 2 2 GLY HA3 H 2 4.140 3.866 0.274 1
1 7 . 19 1 1 A 3 3 SER H H 3 8.270 7.483 0.787 1
1 8 . 19 1 1 A 3 3 SER HA H 3 3.470 3.991 -0.521 1
1 11 . 19 1 1 A 4 4 LYS H H 4 7.160 7.380 -0.220 1
1 12 . 19 1 1 A 4 4 LYS HA H 4 3.690 4.396 -0.706 1
1 22 . 19 1 1 A 5 5 ARG H H 5 8.770 8.712 0.058 1
1 23 . 19 1 1 A 5 5 ARG HA H 5 3.660 3.892 -0.232 1
1 31 . 19 1 1 A 6 6 ALA H H 6 8.160 7.251 0.909 1
1 32 . 19 1 1 A 6 6 ALA HA H 6 4.160 4.708 -0.548 1
1 36 . 19 1 1 A 7 7 TRP H H 7 8.320 8.834 -0.514 1
1 37 . 19 1 1 A 7 7 TRP HA H 7 4.600 5.657 -1.057 1
1 43 . 19 1 1 A 8 8 CYS H H 8 7.140 7.947 -0.807 1
1 44 . 19 1 1 A 8 8 CYS HA H 8 4.390 4.700 -0.310 1
1 47 . 19 1 1 A 9 9 LYS H H 9 8.640 8.745 -0.105 1
1 48 . 19 1 1 A 9 9 LYS HA H 9 4.280 4.326 -0.046 1
1 60 . 19 1 1 A 10 10 GLU H H 10 8.010 7.634 0.376 1
1 61 . 19 1 1 A 10 10 GLU HA H 10 4.690 4.758 -0.068 1
1 66 . 19 1 1 A 11 11 LYS H H 11 8.970 8.666 0.304 1
1 67 . 19 1 1 A 11 11 LYS HA H 11 3.780 4.003 -0.223 1
1 79 . 19 1 1 A 12 12 LYS H H 12 8.270 7.909 0.361 1
1 80 . 19 1 1 A 12 12 LYS HA H 12 4.310 4.212 0.098 1
1 92 . 19 1 1 A 13 13 ASP H H 13 7.840 8.007 -0.167 1
1 93 . 19 1 1 A 13 13 ASP HA H 13 4.590 4.429 0.161 1
1 96 . 19 1 1 A 14 14 CYS H H 14 8.280 7.641 0.639 1
1 97 . 19 1 1 A 14 14 CYS HA H 14 5.190 4.472 0.718 1
1 100 . 19 1 1 A 15 15 CYS H H 15 9.460 8.554 0.906 1
1 101 . 19 1 1 A 15 15 CYS HA H 15 4.620 4.491 0.129 1
1 104 . 19 1 1 A 16 16 CYS H H 16 8.720 8.554 0.166 1
1 105 . 19 1 1 A 16 16 CYS HA H 16 4.470 4.145 0.325 1
1 108 . 19 1 1 A 17 17 GLY H H 17 9.330 7.881 1.449 1
1 109 . 19 1 1 A 17 17 GLY HA2 H 17 3.230 2.807 0.423 1
1 110 . 19 1 1 A 17 17 GLY HA3 H 17 4.040 3.421 0.619 1
1 111 . 19 1 1 A 18 18 TYR H H 18 8.200 7.731 0.469 1
1 112 . 19 1 1 A 18 18 TYR HA H 18 4.700 5.205 -0.505 1
1 119 . 19 1 1 A 19 19 ASN H H 19 8.980 9.144 -0.164 1
1 120 . 19 1 1 A 19 19 ASN HA H 19 4.970 5.371 -0.401 1
1 125 . 19 1 1 A 20 20 CYS H H 20 8.680 8.748 -0.068 1
1 126 . 19 1 1 A 20 20 CYS HA H 20 4.870 5.737 -0.867 1
1 129 . 19 1 1 A 21 21 VAL H H 21 9.000 8.856 0.144 1
1 130 . 19 1 1 A 21 21 VAL HA H 21 4.310 4.488 -0.178 1
1 138 . 19 1 1 A 22 22 TYR H H 22 8.790 9.009 -0.219 1
1 139 . 19 1 1 A 22 22 TYR HA H 22 4.570 4.686 -0.116 1
1 146 . 19 1 1 A 23 23 ALA H H 23 7.970 8.353 -0.383 1
1 147 . 19 1 1 A 23 23 ALA HA H 23 4.410 4.384 0.026 1
1 151 . 19 1 1 A 24 24 TRP H H 24 8.100 8.005 0.095 1
1 152 . 19 1 1 A 24 24 TRP HA H 24 4.130 3.978 0.152 1
1 158 . 19 1 1 A 25 25 TYR H H 25 6.980 8.329 -1.349 1
1 159 . 19 1 1 A 25 25 TYR HA H 25 3.950 4.260 -0.310 1
1 166 . 19 1 1 A 26 26 ASN H H 26 6.900 7.486 -0.586 1
1 167 . 19 1 1 A 26 26 ASN HA H 26 4.650 5.063 -0.413 1
1 172 . 19 1 1 A 27 27 GLN H H 27 7.780 8.154 -0.374 1
1 173 . 19 1 1 A 27 27 GLN HA H 27 3.860 4.197 -0.337 1
1 180 . 19 1 1 A 28 28 GLN H H 28 7.540 7.534 0.006 1
1 181 . 19 1 1 A 28 28 GLN HA H 28 4.620 5.185 -0.565 1
1 186 . 19 1 1 A 29 29 SER H H 29 8.480 9.485 -1.005 1
1 187 . 19 1 1 A 29 29 SER HA H 29 5.300 5.683 -0.383 1
1 190 . 19 1 1 A 30 30 SER H H 30 8.540 8.840 -0.300 1
1 191 . 19 1 1 A 30 30 SER HA H 30 5.310 5.231 0.079 1
1 194 . 19 1 1 A 31 31 CYS H H 31 9.100 8.573 0.527 1
1 195 . 19 1 1 A 31 31 CYS HA H 31 5.340 6.467 -1.127 1
1 198 . 19 1 1 A 32 32 GLU H H 32 9.550 9.414 0.136 1
1 199 . 19 1 1 A 32 32 GLU HA H 32 4.960 5.250 -0.290 1
1 204 . 19 1 1 A 33 33 ARG H H 33 9.310 8.618 0.692 1
1 205 . 19 1 1 A 33 33 ARG HA H 33 3.810 4.239 -0.429 1
1 213 . 19 1 1 A 34 34 LYS H H 34 8.240 8.713 -0.473 1
1 214 . 19 1 1 A 34 34 LYS HA H 34 4.160 4.671 -0.511 1
1 226 . 19 1 1 A 35 35 TRP H H 35 7.850 8.228 -0.378 1
1 227 . 19 1 1 A 35 35 TRP HA H 35 4.690 4.769 -0.079 1
1 235 . 19 1 1 A 36 36 LYS H H 36 8.360 8.115 0.245 1
1 236 . 19 1 1 A 36 36 LYS HA H 36 3.970 4.003 -0.033 1
1 248 . 19 1 1 A 37 37 TYR H H 37 7.750 8.064 -0.314 1
1 249 . 19 1 1 A 37 37 TYR HA H 37 4.520 4.965 -0.445 1
1 254 . 19 1 1 A 38 38 LEU H H 38 8.020 7.752 0.268 1
1 255 . 19 1 1 A 38 38 LEU HA H 38 4.200 4.094 0.106 1
1 265 . 19 1 1 A 39 39 PHE H H 39 7.890 8.446 -0.556 1
1 266 . 19 1 1 A 39 39 PHE HA H 39 4.530 4.008 0.522 1
1 271 . 19 1 1 A 40 40 THR H H 40 8.060 7.895 0.165 1
1 272 . 19 1 1 A 40 40 THR HA H 40 4.170 4.263 -0.093 1
1 274 . 19 1 1 A 41 41 GLY H H 41 7.500 8.365 -0.865 1
1 275 . 19 1 1 A 41 41 GLY HA2 H 41 3.700 3.984 -0.284 1
1 276 . 19 1 1 A 41 41 GLY HA3 H 41 3.910 3.990 -0.080 1
1 277 . 19 1 1 A 42 42 GLU H H 42 7.880 7.782 0.098 1
1 278 . 19 1 1 A 42 42 GLU HA H 42 4.350 4.608 -0.258 1
1 4 . 20 1 1 A 2 2 GLY H H 2 8.950 8.927 0.023 1
1 5 . 20 1 1 A 2 2 GLY HA2 H 2 3.740 3.977 -0.237 1
1 6 . 20 1 1 A 2 2 GLY HA3 H 2 4.140 4.003 0.137 1
1 7 . 20 1 1 A 3 3 SER H H 3 8.270 8.414 -0.144 1
1 8 . 20 1 1 A 3 3 SER HA H 3 3.470 4.095 -0.625 1
1 11 . 20 1 1 A 4 4 LYS H H 4 7.160 7.334 -0.174 1
1 12 . 20 1 1 A 4 4 LYS HA H 4 3.690 4.432 -0.742 1
1 22 . 20 1 1 A 5 5 ARG H H 5 8.770 8.703 0.067 1
1 23 . 20 1 1 A 5 5 ARG HA H 5 3.660 4.039 -0.379 1
1 31 . 20 1 1 A 6 6 ALA H H 6 8.160 7.614 0.546 1
1 32 . 20 1 1 A 6 6 ALA HA H 6 4.160 4.705 -0.545 1
1 36 . 20 1 1 A 7 7 TRP H H 7 8.320 8.772 -0.452 1
1 37 . 20 1 1 A 7 7 TRP HA H 7 4.600 5.263 -0.663 1
1 43 . 20 1 1 A 8 8 CYS H H 8 7.140 7.516 -0.376 1
1 44 . 20 1 1 A 8 8 CYS HA H 8 4.390 4.682 -0.292 1
1 47 . 20 1 1 A 9 9 LYS H H 9 8.640 8.308 0.332 1
1 48 . 20 1 1 A 9 9 LYS HA H 9 4.280 3.679 0.601 1
1 60 . 20 1 1 A 10 10 GLU H H 10 8.010 7.547 0.463 1
1 61 . 20 1 1 A 10 10 GLU HA H 10 4.690 4.427 0.263 1
1 66 . 20 1 1 A 11 11 LYS H H 11 8.970 8.646 0.324 1
1 67 . 20 1 1 A 11 11 LYS HA H 11 3.780 3.900 -0.120 1
1 79 . 20 1 1 A 12 12 LYS H H 12 8.270 7.870 0.400 1
1 80 . 20 1 1 A 12 12 LYS HA H 12 4.310 4.016 0.294 1
1 92 . 20 1 1 A 13 13 ASP H H 13 7.840 7.978 -0.138 1
1 93 . 20 1 1 A 13 13 ASP HA H 13 4.590 4.320 0.270 1
1 96 . 20 1 1 A 14 14 CYS H H 14 8.280 7.204 1.076 1
1 97 . 20 1 1 A 14 14 CYS HA H 14 5.190 4.392 0.798 1
1 100 . 20 1 1 A 15 15 CYS H H 15 9.460 8.555 0.905 1
1 101 . 20 1 1 A 15 15 CYS HA H 15 4.620 4.344 0.276 1
1 104 . 20 1 1 A 16 16 CYS H H 16 8.720 8.621 0.099 1
1 105 . 20 1 1 A 16 16 CYS HA H 16 4.470 4.200 0.270 1
1 108 . 20 1 1 A 17 17 GLY H H 17 9.330 8.404 0.926 1
1 109 . 20 1 1 A 17 17 GLY HA2 H 17 3.230 3.578 -0.348 1
1 110 . 20 1 1 A 17 17 GLY HA3 H 17 4.040 3.740 0.300 1
1 111 . 20 1 1 A 18 18 TYR H H 18 8.200 7.855 0.345 1
1 112 . 20 1 1 A 18 18 TYR HA H 18 4.700 4.847 -0.147 1
1 119 . 20 1 1 A 19 19 ASN H H 19 8.980 8.898 0.082 1
1 120 . 20 1 1 A 19 19 ASN HA H 19 4.970 5.471 -0.501 1
1 125 . 20 1 1 A 20 20 CYS H H 20 8.680 8.983 -0.303 1
1 126 . 20 1 1 A 20 20 CYS HA H 20 4.870 5.151 -0.281 1
1 129 . 20 1 1 A 21 21 VAL H H 21 9.000 8.668 0.332 1
1 130 . 20 1 1 A 21 21 VAL HA H 21 4.310 4.955 -0.645 1
1 138 . 20 1 1 A 22 22 TYR H H 22 8.790 8.918 -0.128 1
1 139 . 20 1 1 A 22 22 TYR HA H 22 4.570 5.546 -0.976 1
1 146 . 20 1 1 A 23 23 ALA H H 23 7.970 8.732 -0.762 1
1 147 . 20 1 1 A 23 23 ALA HA H 23 4.410 4.238 0.172 1
1 151 . 20 1 1 A 24 24 TRP H H 24 8.100 7.913 0.187 1
1 152 . 20 1 1 A 24 24 TRP HA H 24 4.130 4.004 0.126 1
1 158 . 20 1 1 A 25 25 TYR H H 25 6.980 6.985 -0.005 1
1 159 . 20 1 1 A 25 25 TYR HA H 25 3.950 3.829 0.121 1
1 166 . 20 1 1 A 26 26 ASN H H 26 6.900 8.092 -1.192 1
1 167 . 20 1 1 A 26 26 ASN HA H 26 4.650 4.879 -0.229 1
1 172 . 20 1 1 A 27 27 GLN H H 27 7.780 8.604 -0.824 1
1 173 . 20 1 1 A 27 27 GLN HA H 27 3.860 3.937 -0.077 1
1 180 . 20 1 1 A 28 28 GLN H H 28 7.540 7.801 -0.261 1
1 181 . 20 1 1 A 28 28 GLN HA H 28 4.620 4.984 -0.364 1
1 186 . 20 1 1 A 29 29 SER H H 29 8.480 8.920 -0.440 1
1 187 . 20 1 1 A 29 29 SER HA H 29 5.300 5.422 -0.122 1
1 190 . 20 1 1 A 30 30 SER H H 30 8.540 8.712 -0.172 1
1 191 . 20 1 1 A 30 30 SER HA H 30 5.310 5.336 -0.026 1
1 194 . 20 1 1 A 31 31 CYS H H 31 9.100 8.547 0.553 1
1 195 . 20 1 1 A 31 31 CYS HA H 31 5.340 5.284 0.056 1
1 198 . 20 1 1 A 32 32 GLU H H 32 9.550 9.194 0.356 1
1 199 . 20 1 1 A 32 32 GLU HA H 32 4.960 5.005 -0.045 1
1 204 . 20 1 1 A 33 33 ARG H H 33 9.310 8.601 0.709 1
1 205 . 20 1 1 A 33 33 ARG HA H 33 3.810 4.333 -0.523 1
1 213 . 20 1 1 A 34 34 LYS H H 34 8.240 8.741 -0.501 1
1 214 . 20 1 1 A 34 34 LYS HA H 34 4.160 4.881 -0.721 1
1 226 . 20 1 1 A 35 35 TRP H H 35 7.850 7.634 0.216 1
1 227 . 20 1 1 A 35 35 TRP HA H 35 4.690 4.449 0.241 1
1 235 . 20 1 1 A 36 36 LYS H H 36 8.360 7.613 0.747 1
1 236 . 20 1 1 A 36 36 LYS HA H 36 3.970 4.026 -0.056 1
1 248 . 20 1 1 A 37 37 TYR H H 37 7.750 6.710 1.040 1
1 249 . 20 1 1 A 37 37 TYR HA H 37 4.520 4.824 -0.304 1
1 254 . 20 1 1 A 38 38 LEU H H 38 8.020 7.296 0.724 1
1 255 . 20 1 1 A 38 38 LEU HA H 38 4.200 4.970 -0.770 1
1 265 . 20 1 1 A 39 39 PHE H H 39 7.890 8.643 -0.753 1
1 266 . 20 1 1 A 39 39 PHE HA H 39 4.530 4.404 0.126 1
1 271 . 20 1 1 A 40 40 THR H H 40 8.060 8.614 -0.554 1
1 272 . 20 1 1 A 40 40 THR HA H 40 4.170 3.789 0.381 1
1 274 . 20 1 1 A 41 41 GLY H H 41 7.500 8.175 -0.675 1
1 275 . 20 1 1 A 41 41 GLY HA2 H 41 3.700 3.825 -0.125 1
1 276 . 20 1 1 A 41 41 GLY HA3 H 41 3.910 3.832 0.078 1
1 277 . 20 1 1 A 42 42 GLU H H 42 7.880 7.969 -0.089 1
1 278 . 20 1 1 A 42 42 GLU HA H 42 4.350 3.830 0.520 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 41 0.548 1
5 1 1 1 "RMS(OBS, PRED)" HA 44 0.408 1
6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 41 0.500 1
11 1 2 1 "RMS(OBS, PRED)" HA 44 0.375 1
12 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 41 0.678 1
17 1 3 1 "RMS(OBS, PRED)" HA 44 0.336 1
18 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 41 0.642 1
23 1 4 1 "RMS(OBS, PRED)" HA 44 0.331 1
24 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 41 0.630 1
29 1 5 1 "RMS(OBS, PRED)" HA 44 0.366 1
30 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 41 0.644 1
35 1 6 1 "RMS(OBS, PRED)" HA 44 0.329 1
36 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 41 0.640 1
41 1 7 1 "RMS(OBS, PRED)" HA 44 0.415 1
42 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 41 0.651 1
47 1 8 1 "RMS(OBS, PRED)" HA 44 0.356 1
48 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 41 0.531 1
53 1 9 1 "RMS(OBS, PRED)" HA 44 0.387 1
54 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 41 0.650 1
59 1 10 1 "RMS(OBS, PRED)" HA 44 0.457 1
60 1 10 1 "RMS(OBS, PRED)" N 0 0.000 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 41 0.633 1
65 1 11 1 "RMS(OBS, PRED)" HA 44 0.320 1
66 1 11 1 "RMS(OBS, PRED)" N 0 0.000 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 41 0.545 1
71 1 12 1 "RMS(OBS, PRED)" HA 44 0.328 1
72 1 12 1 "RMS(OBS, PRED)" N 0 0.000 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 41 0.595 1
77 1 13 1 "RMS(OBS, PRED)" HA 44 0.359 1
78 1 13 1 "RMS(OBS, PRED)" N 0 0.000 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 41 0.583 1
83 1 14 1 "RMS(OBS, PRED)" HA 44 0.437 1
84 1 14 1 "RMS(OBS, PRED)" N 0 0.000 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 41 0.712 1
89 1 15 1 "RMS(OBS, PRED)" HA 44 0.379 1
90 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 41 0.701 1
95 1 16 1 "RMS(OBS, PRED)" HA 44 0.480 1
96 1 16 1 "RMS(OBS, PRED)" N 0 0.000 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 41 0.653 1
101 1 17 1 "RMS(OBS, PRED)" HA 44 0.406 1
102 1 17 1 "RMS(OBS, PRED)" N 0 0.000 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 41 0.610 1
107 1 18 1 "RMS(OBS, PRED)" HA 44 0.471 1
108 1 18 1 "RMS(OBS, PRED)" N 0 0.000 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 41 0.566 1
113 1 19 1 "RMS(OBS, PRED)" HA 44 0.438 1
114 1 19 1 "RMS(OBS, PRED)" N 0 0.000 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 41 0.553 1
119 1 20 1 "RMS(OBS, PRED)" HA 44 0.420 1
120 1 20 1 "RMS(OBS, PRED)" N 0 0.000 1
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.Conformer_type "average"
_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.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 4 . 1 1 A 2 2 GLY H H 2 8.950 8.458 0.492 2
1 5 . 1 1 A 2 2 GLY HA2 H 2 3.740 3.869 -0.129 2
1 6 . 1 1 A 2 2 GLY HA3 H 2 4.140 3.915 0.225 2
1 7 . 1 1 A 3 3 SER H H 3 8.270 8.356 -0.086 2
1 8 . 1 1 A 3 3 SER HA H 3 3.470 4.134 -0.664 2
1 11 . 1 1 A 4 4 LYS H H 4 7.160 7.478 -0.318 2
1 12 . 1 1 A 4 4 LYS HA H 4 3.690 3.868 -0.178 2
1 22 . 1 1 A 5 5 ARG H H 5 8.770 8.845 -0.075 2
1 23 . 1 1 A 5 5 ARG HA H 5 3.660 3.953 -0.293 2
1 31 . 1 1 A 6 6 ALA H H 6 8.160 7.581 0.579 2
1 32 . 1 1 A 6 6 ALA HA H 6 4.160 4.745 -0.585 2
1 36 . 1 1 A 7 7 TRP H H 7 8.320 8.745 -0.425 2
1 37 . 1 1 A 7 7 TRP HA H 7 4.600 5.384 -0.784 2
1 43 . 1 1 A 8 8 CYS H H 8 7.140 7.847 -0.707 2
1 44 . 1 1 A 8 8 CYS HA H 8 4.390 4.648 -0.258 2
1 47 . 1 1 A 9 9 LYS H H 9 8.640 8.590 0.050 2
1 48 . 1 1 A 9 9 LYS HA H 9 4.280 4.177 0.103 2
1 60 . 1 1 A 10 10 GLU H H 10 8.010 7.626 0.384 2
1 61 . 1 1 A 10 10 GLU HA H 10 4.690 4.686 0.004 2
1 66 . 1 1 A 11 11 LYS H H 11 8.970 8.616 0.354 2
1 67 . 1 1 A 11 11 LYS HA H 11 3.780 3.913 -0.133 2
1 79 . 1 1 A 12 12 LYS H H 12 8.270 7.920 0.349 2
1 80 . 1 1 A 12 12 LYS HA H 12 4.310 4.110 0.200 2
1 92 . 1 1 A 13 13 ASP H H 13 7.840 7.956 -0.116 2
1 93 . 1 1 A 13 13 ASP HA H 13 4.590 4.447 0.143 2
1 96 . 1 1 A 14 14 CYS H H 14 8.280 7.473 0.807 2
1 97 . 1 1 A 14 14 CYS HA H 14 5.190 4.558 0.632 2
1 100 . 1 1 A 15 15 CYS H H 15 9.460 8.607 0.853 2
1 101 . 1 1 A 15 15 CYS HA H 15 4.620 4.396 0.224 2
1 104 . 1 1 A 16 16 CYS H H 16 8.720 8.609 0.111 2
1 105 . 1 1 A 16 16 CYS HA H 16 4.470 4.240 0.230 2
1 108 . 1 1 A 17 17 GLY H H 17 9.330 8.620 0.709 2
1 109 . 1 1 A 17 17 GLY HA2 H 17 3.230 3.600 -0.370 2
1 110 . 1 1 A 17 17 GLY HA3 H 17 4.040 3.798 0.242 2
1 111 . 1 1 A 18 18 TYR H H 18 8.200 7.912 0.288 2
1 112 . 1 1 A 18 18 TYR HA H 18 4.700 5.088 -0.388 2
1 119 . 1 1 A 19 19 ASN H H 19 8.980 9.056 -0.076 2
1 120 . 1 1 A 19 19 ASN HA H 19 4.970 5.321 -0.351 2
1 125 . 1 1 A 20 20 CYS H H 20 8.680 8.768 -0.088 2
1 126 . 1 1 A 20 20 CYS HA H 20 4.870 5.177 -0.307 2
1 129 . 1 1 A 21 21 VAL H H 21 9.000 8.652 0.348 2
1 130 . 1 1 A 21 21 VAL HA H 21 4.310 4.666 -0.356 2
1 138 . 1 1 A 22 22 TYR H H 22 8.790 8.935 -0.145 2
1 139 . 1 1 A 22 22 TYR HA H 22 4.570 4.854 -0.284 2
1 146 . 1 1 A 23 23 ALA H H 23 7.970 8.160 -0.190 2
1 147 . 1 1 A 23 23 ALA HA H 23 4.410 4.181 0.229 2
1 151 . 1 1 A 24 24 TRP H H 24 8.100 7.961 0.139 2
1 152 . 1 1 A 24 24 TRP HA H 24 4.130 4.357 -0.227 2
1 158 . 1 1 A 25 25 TYR H H 25 6.980 7.824 -0.844 2
1 159 . 1 1 A 25 25 TYR HA H 25 3.950 4.306 -0.356 2
1 166 . 1 1 A 26 26 ASN H H 26 6.900 8.165 -1.265 2
1 167 . 1 1 A 26 26 ASN HA H 26 4.650 4.618 0.032 2
1 172 . 1 1 A 27 27 GLN H H 27 7.780 8.073 -0.293 2
1 173 . 1 1 A 27 27 GLN HA H 27 3.860 3.924 -0.064 2
1 180 . 1 1 A 28 28 GLN H H 28 7.540 7.675 -0.134 2
1 181 . 1 1 A 28 28 GLN HA H 28 4.620 4.768 -0.147 2
1 186 . 1 1 A 29 29 SER H H 29 8.480 8.966 -0.486 2
1 187 . 1 1 A 29 29 SER HA H 29 5.300 5.345 -0.045 2
1 190 . 1 1 A 30 30 SER H H 30 8.540 8.786 -0.246 2
1 191 . 1 1 A 30 30 SER HA H 30 5.310 5.256 0.054 2
1 194 . 1 1 A 31 31 CYS H H 31 9.100 9.066 0.034 2
1 195 . 1 1 A 31 31 CYS HA H 31 5.340 5.421 -0.081 2
1 198 . 1 1 A 32 32 GLU H H 32 9.550 9.136 0.414 2
1 199 . 1 1 A 32 32 GLU HA H 32 4.960 5.093 -0.133 2
1 204 . 1 1 A 33 33 ARG H H 33 9.310 8.767 0.543 2
1 205 . 1 1 A 33 33 ARG HA H 33 3.810 4.360 -0.550 2
1 213 . 1 1 A 34 34 LYS H H 34 8.240 8.590 -0.350 2
1 214 . 1 1 A 34 34 LYS HA H 34 4.160 4.435 -0.275 2
1 226 . 1 1 A 35 35 TRP H H 35 7.850 8.064 -0.214 2
1 227 . 1 1 A 35 35 TRP HA H 35 4.690 4.834 -0.144 2
1 235 . 1 1 A 36 36 LYS H H 36 8.360 8.581 -0.221 2
1 236 . 1 1 A 36 36 LYS HA H 36 3.970 4.090 -0.120 2
1 248 . 1 1 A 37 37 TYR H H 37 7.750 8.034 -0.284 2
1 249 . 1 1 A 37 37 TYR HA H 37 4.520 4.679 -0.159 2
1 254 . 1 1 A 38 38 LEU H H 38 8.020 8.008 0.012 2
1 255 . 1 1 A 38 38 LEU HA H 38 4.200 4.357 -0.157 2
1 265 . 1 1 A 39 39 PHE H H 39 7.890 8.434 -0.544 2
1 266 . 1 1 A 39 39 PHE HA H 39 4.530 4.353 0.177 2
1 271 . 1 1 A 40 40 THR H H 40 8.060 8.344 -0.284 2
1 272 . 1 1 A 40 40 THR HA H 40 4.170 4.242 -0.072 2
1 274 . 1 1 A 41 41 GLY H H 41 7.500 8.376 -0.876 2
1 275 . 1 1 A 41 41 GLY HA2 H 41 3.700 3.908 -0.208 2
1 276 . 1 1 A 41 41 GLY HA3 H 41 3.910 3.945 -0.035 2
1 277 . 1 1 A 42 42 GLU H H 42 7.880 8.253 -0.373 2
1 278 . 1 1 A 42 42 GLU HA H 42 4.350 4.414 -0.064 2
stop_
save_