data_16026_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16026
_Entry.PDB_ID 2K9R
_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 1 . 1 1 1 A 2 2 ILE HA H 2 3.940 3.577 0.363 1
1 11 . 1 1 1 A 3 3 VAL H H 3 8.180 8.138 0.042 1
1 12 . 1 1 1 A 3 3 VAL HA H 3 3.620 3.859 -0.239 1
1 20 . 1 1 1 A 4 4 GLU HA H 4 4.170 3.959 0.211 1
1 25 . 1 1 1 A 5 5 GLN H H 5 8.180 8.016 0.164 1
1 26 . 1 1 1 A 5 5 GLN HA H 5 4.140 4.373 -0.233 1
1 33 . 1 1 1 A 6 6 CYS H H 6 8.250 8.166 0.084 1
1 34 . 1 1 1 A 6 6 CYS HA H 6 5.070 4.703 0.367 1
1 37 . 1 1 1 A 7 7 CYS H H 7 8.270 8.162 0.108 1
1 38 . 1 1 1 A 7 7 CYS HA H 7 4.860 4.776 0.084 1
1 41 . 1 1 1 A 8 8 THR HA H 8 4.180 4.348 -0.168 1
1 46 . 1 1 1 A 9 9 SER H H 9 8.210 8.257 -0.047 1
1 47 . 1 1 1 A 9 9 SER HA H 9 4.650 4.807 -0.157 1
1 50 . 1 1 1 A 10 10 ILE HA H 10 4.280 4.821 -0.541 1
1 59 . 1 1 1 A 11 11 CYS HA H 11 4.920 5.085 -0.165 1
1 62 . 1 1 1 A 12 12 SER H H 12 8.200 8.577 -0.377 1
1 63 . 1 1 1 A 12 12 SER HA H 12 4.660 4.843 -0.183 1
1 66 . 1 1 1 A 13 13 LEU H H 13 8.220 8.610 -0.390 1
1 67 . 1 1 1 A 13 13 LEU HA H 13 3.970 4.022 -0.052 1
1 77 . 1 1 1 A 14 14 TYR H H 14 7.650 7.990 -0.340 1
1 78 . 1 1 1 A 14 14 TYR HA H 14 4.400 4.274 0.126 1
1 85 . 1 1 1 A 15 15 GLN H H 15 7.530 7.027 0.503 1
1 86 . 1 1 1 A 15 15 GLN HA H 15 4.030 3.679 0.351 1
1 93 . 1 1 1 A 16 16 LEU H H 16 7.860 7.081 0.779 1
1 94 . 1 1 1 A 16 16 LEU HA H 16 4.190 3.182 1.008 1
1 104 . 1 1 1 A 17 17 GLU H H 17 8.020 8.077 -0.057 1
1 105 . 1 1 1 A 17 17 GLU HA H 17 4.120 3.932 0.188 1
1 110 . 1 1 1 A 18 18 ASN H H 18 7.470 7.566 -0.096 1
1 111 . 1 1 1 A 18 18 ASN HA H 18 4.500 4.793 -0.293 1
1 116 . 1 1 1 A 19 19 TYR H H 19 7.940 7.973 -0.033 1
1 117 . 1 1 1 A 19 19 TYR HA H 19 4.570 4.389 0.181 1
1 124 . 1 1 1 A 20 20 CYS H H 20 7.520 7.941 -0.421 1
1 125 . 1 1 1 A 20 20 CYS HA H 20 4.730 4.808 -0.078 1
1 142 . 1 2 2 B 2 2 VAL H H 2 8.340 8.895 -0.555 1
1 143 . 1 2 2 B 2 2 VAL HA H 2 4.050 5.013 -0.963 1
1 151 . 1 2 2 B 3 3 ASN H H 3 8.480 8.738 -0.258 1
1 152 . 1 2 2 B 3 3 ASN HA H 3 4.600 5.055 -0.455 1
1 157 . 1 2 2 B 4 4 GLN HA H 4 4.500 4.621 -0.121 1
1 164 . 1 2 2 B 5 5 HIS H H 5 8.440 8.734 -0.294 1
1 165 . 1 2 2 B 5 5 HIS HA H 5 4.470 4.652 -0.182 1
1 170 . 1 2 2 B 6 6 LEU H H 6 8.840 8.146 0.694 1
1 171 . 1 2 2 B 6 6 LEU HA H 6 4.560 4.508 0.052 1
1 181 . 1 2 2 B 7 7 CYS H H 7 8.680 7.903 0.777 1
1 182 . 1 2 2 B 7 7 CYS HA H 7 4.910 4.271 0.639 1
1 185 . 1 2 2 B 8 8 GLY HA2 H 8 4.020 3.879 0.141 1
1 186 . 1 2 2 B 8 8 GLY HA3 H 8 3.880 3.880 0.000 1
1 187 . 1 2 2 B 9 9 SER HA H 9 4.100 4.173 -0.073 1
1 190 . 1 2 2 B 10 10 ASP H H 10 8.080 7.349 0.731 1
1 191 . 1 2 2 B 10 10 ASP HA H 10 4.460 4.503 -0.043 1
1 194 . 1 2 2 B 11 11 LEU H H 11 7.080 8.551 -1.471 1
1 195 . 1 2 2 B 11 11 LEU HA H 11 4.040 4.035 0.005 1
1 205 . 1 2 2 B 12 12 VAL H H 12 7.170 8.717 -1.547 1
1 206 . 1 2 2 B 12 12 VAL HA H 12 3.430 3.742 -0.312 1
1 214 . 1 2 2 B 13 13 GLU H H 13 8.050 8.444 -0.394 1
1 215 . 1 2 2 B 13 13 GLU HA H 13 4.090 4.067 0.023 1
1 220 . 1 2 2 B 14 14 ALA H H 14 7.760 8.242 -0.482 1
1 221 . 1 2 2 B 14 14 ALA HA H 14 4.100 4.123 -0.023 1
1 225 . 1 2 2 B 15 15 LEU H H 15 8.050 7.980 0.070 1
1 226 . 1 2 2 B 15 15 LEU HA H 15 3.970 3.914 0.056 1
1 236 . 1 2 2 B 16 16 TYR H H 16 7.860 8.118 -0.258 1
1 237 . 1 2 2 B 16 16 TYR HA H 16 4.220 3.998 0.222 1
1 244 . 1 2 2 B 17 17 LEU H H 17 7.790 7.483 0.307 1
1 245 . 1 2 2 B 17 17 LEU HA H 17 4.110 3.427 0.683 1
1 255 . 1 2 2 B 18 18 VAL H H 18 8.250 7.291 0.959 1
1 256 . 1 2 2 B 18 18 VAL HA H 18 3.860 3.684 0.176 1
1 264 . 1 2 2 B 19 19 CYS H H 19 8.720 7.262 1.458 1
1 265 . 1 2 2 B 19 19 CYS HA H 19 4.770 4.346 0.424 1
1 268 . 1 2 2 B 20 20 GLY H H 20 7.930 8.252 -0.322 1
1 269 . 1 2 2 B 20 20 GLY HA2 H 20 3.960 3.981 -0.021 1
1 270 . 1 2 2 B 20 20 GLY HA3 H 20 3.740 4.082 -0.342 1
1 271 . 1 2 2 B 21 21 GLU H H 21 8.340 8.718 -0.378 1
1 272 . 1 2 2 B 21 21 GLU HA H 21 4.220 4.185 0.035 1
1 277 . 1 2 2 B 22 22 ARG H H 22 8.060 8.286 -0.226 1
1 278 . 1 2 2 B 22 22 ARG HA H 22 4.300 4.096 0.204 1
1 301 . 1 2 2 B 26 26 TYR H H 26 7.980 7.741 0.239 1
1 302 . 1 2 2 B 26 26 TYR HA H 26 4.610 4.811 -0.201 1
1 309 . 1 2 2 B 27 27 THR H H 27 7.840 8.661 -0.821 1
1 310 . 1 2 2 B 27 27 THR HA H 27 4.310 4.196 0.114 1
1 315 . 1 2 2 B 28 28 LYS H H 28 8.160 7.750 0.410 1
1 316 . 1 2 2 B 28 28 LYS HA H 28 4.480 4.599 -0.119 1
1 325 . 1 2 2 B 29 29 PRO HA H 29 4.400 4.621 -0.221 1
1 1 . 2 1 1 A 2 2 ILE HA H 2 3.940 3.672 0.268 1
1 11 . 2 1 1 A 3 3 VAL H H 3 8.180 8.064 0.116 1
1 12 . 2 1 1 A 3 3 VAL HA H 3 3.620 3.790 -0.170 1
1 20 . 2 1 1 A 4 4 GLU HA H 4 4.170 3.970 0.200 1
1 25 . 2 1 1 A 5 5 GLN H H 5 8.180 7.936 0.244 1
1 26 . 2 1 1 A 5 5 GLN HA H 5 4.140 4.347 -0.207 1
1 33 . 2 1 1 A 6 6 CYS H H 6 8.250 8.613 -0.363 1
1 34 . 2 1 1 A 6 6 CYS HA H 6 5.070 4.638 0.432 1
1 37 . 2 1 1 A 7 7 CYS H H 7 8.270 7.981 0.289 1
1 38 . 2 1 1 A 7 7 CYS HA H 7 4.860 4.773 0.087 1
1 41 . 2 1 1 A 8 8 THR HA H 8 4.180 4.392 -0.212 1
1 46 . 2 1 1 A 9 9 SER H H 9 8.210 7.779 0.431 1
1 47 . 2 1 1 A 9 9 SER HA H 9 4.650 4.738 -0.088 1
1 50 . 2 1 1 A 10 10 ILE HA H 10 4.280 4.695 -0.415 1
1 59 . 2 1 1 A 11 11 CYS HA H 11 4.920 5.164 -0.244 1
1 62 . 2 1 1 A 12 12 SER H H 12 8.200 8.595 -0.395 1
1 63 . 2 1 1 A 12 12 SER HA H 12 4.660 4.976 -0.316 1
1 66 . 2 1 1 A 13 13 LEU H H 13 8.220 8.695 -0.475 1
1 67 . 2 1 1 A 13 13 LEU HA H 13 3.970 4.088 -0.118 1
1 77 . 2 1 1 A 14 14 TYR H H 14 7.650 7.978 -0.328 1
1 78 . 2 1 1 A 14 14 TYR HA H 14 4.400 4.279 0.121 1
1 85 . 2 1 1 A 15 15 GLN H H 15 7.530 7.017 0.513 1
1 86 . 2 1 1 A 15 15 GLN HA H 15 4.030 3.765 0.265 1
1 93 . 2 1 1 A 16 16 LEU H H 16 7.860 7.339 0.521 1
1 94 . 2 1 1 A 16 16 LEU HA H 16 4.190 3.741 0.449 1
1 104 . 2 1 1 A 17 17 GLU H H 17 8.020 8.198 -0.178 1
1 105 . 2 1 1 A 17 17 GLU HA H 17 4.120 4.007 0.113 1
1 110 . 2 1 1 A 18 18 ASN H H 18 7.470 7.367 0.103 1
1 111 . 2 1 1 A 18 18 ASN HA H 18 4.500 4.575 -0.075 1
1 116 . 2 1 1 A 19 19 TYR H H 19 7.940 8.255 -0.315 1
1 117 . 2 1 1 A 19 19 TYR HA H 19 4.570 4.394 0.176 1
1 124 . 2 1 1 A 20 20 CYS H H 20 7.520 7.392 0.128 1
1 125 . 2 1 1 A 20 20 CYS HA H 20 4.730 4.679 0.051 1
1 142 . 2 2 2 B 2 2 VAL H H 2 8.340 7.587 0.753 1
1 143 . 2 2 2 B 2 2 VAL HA H 2 4.050 4.361 -0.311 1
1 151 . 2 2 2 B 3 3 ASN H H 3 8.480 8.768 -0.288 1
1 152 . 2 2 2 B 3 3 ASN HA H 3 4.600 4.915 -0.315 1
1 157 . 2 2 2 B 4 4 GLN HA H 4 4.500 4.704 -0.204 1
1 164 . 2 2 2 B 5 5 HIS H H 5 8.440 8.792 -0.352 1
1 165 . 2 2 2 B 5 5 HIS HA H 5 4.470 4.731 -0.261 1
1 170 . 2 2 2 B 6 6 LEU H H 6 8.840 8.574 0.266 1
1 171 . 2 2 2 B 6 6 LEU HA H 6 4.560 4.525 0.035 1
1 181 . 2 2 2 B 7 7 CYS H H 7 8.680 7.881 0.799 1
1 182 . 2 2 2 B 7 7 CYS HA H 7 4.910 4.278 0.632 1
1 185 . 2 2 2 B 8 8 GLY HA2 H 8 4.020 3.934 0.086 1
1 186 . 2 2 2 B 8 8 GLY HA3 H 8 3.880 3.940 -0.060 1
1 187 . 2 2 2 B 9 9 SER HA H 9 4.100 4.165 -0.065 1
1 190 . 2 2 2 B 10 10 ASP H H 10 8.080 7.397 0.683 1
1 191 . 2 2 2 B 10 10 ASP HA H 10 4.460 4.515 -0.055 1
1 194 . 2 2 2 B 11 11 LEU H H 11 7.080 8.561 -1.481 1
1 195 . 2 2 2 B 11 11 LEU HA H 11 4.040 4.008 0.032 1
1 205 . 2 2 2 B 12 12 VAL H H 12 7.170 8.698 -1.528 1
1 206 . 2 2 2 B 12 12 VAL HA H 12 3.430 3.631 -0.201 1
1 214 . 2 2 2 B 13 13 GLU H H 13 8.050 8.072 -0.022 1
1 215 . 2 2 2 B 13 13 GLU HA H 13 4.090 4.134 -0.044 1
1 220 . 2 2 2 B 14 14 ALA H H 14 7.760 8.190 -0.430 1
1 221 . 2 2 2 B 14 14 ALA HA H 14 4.100 4.144 -0.044 1
1 225 . 2 2 2 B 15 15 LEU H H 15 8.050 7.899 0.151 1
1 226 . 2 2 2 B 15 15 LEU HA H 15 3.970 3.784 0.186 1
1 236 . 2 2 2 B 16 16 TYR H H 16 7.860 8.017 -0.157 1
1 237 . 2 2 2 B 16 16 TYR HA H 16 4.220 4.179 0.041 1
1 244 . 2 2 2 B 17 17 LEU H H 17 7.790 7.570 0.220 1
1 245 . 2 2 2 B 17 17 LEU HA H 17 4.110 3.454 0.656 1
1 255 . 2 2 2 B 18 18 VAL H H 18 8.250 8.217 0.033 1
1 256 . 2 2 2 B 18 18 VAL HA H 18 3.860 3.477 0.383 1
1 264 . 2 2 2 B 19 19 CYS H H 19 8.720 7.336 1.384 1
1 265 . 2 2 2 B 19 19 CYS HA H 19 4.770 4.366 0.404 1
1 268 . 2 2 2 B 20 20 GLY H H 20 7.930 8.738 -0.808 1
1 269 . 2 2 2 B 20 20 GLY HA2 H 20 3.960 3.701 0.259 1
1 270 . 2 2 2 B 20 20 GLY HA3 H 20 3.740 3.883 -0.143 1
1 271 . 2 2 2 B 21 21 GLU H H 21 8.340 8.656 -0.316 1
1 272 . 2 2 2 B 21 21 GLU HA H 21 4.220 4.723 -0.503 1
1 277 . 2 2 2 B 22 22 ARG H H 22 8.060 8.026 0.034 1
1 278 . 2 2 2 B 22 22 ARG HA H 22 4.300 4.182 0.118 1
1 301 . 2 2 2 B 26 26 TYR H H 26 7.980 7.808 0.172 1
1 302 . 2 2 2 B 26 26 TYR HA H 26 4.610 4.519 0.091 1
1 309 . 2 2 2 B 27 27 THR H H 27 7.840 8.229 -0.389 1
1 310 . 2 2 2 B 27 27 THR HA H 27 4.310 4.315 -0.005 1
1 315 . 2 2 2 B 28 28 LYS H H 28 8.160 7.952 0.208 1
1 316 . 2 2 2 B 28 28 LYS HA H 28 4.480 4.050 0.430 1
1 325 . 2 2 2 B 29 29 PRO HA H 29 4.400 4.446 -0.046 1
1 1 . 3 1 1 A 2 2 ILE HA H 2 3.940 3.751 0.189 1
1 11 . 3 1 1 A 3 3 VAL H H 3 8.180 7.666 0.514 1
1 12 . 3 1 1 A 3 3 VAL HA H 3 3.620 3.550 0.070 1
1 20 . 3 1 1 A 4 4 GLU HA H 4 4.170 3.950 0.220 1
1 25 . 3 1 1 A 5 5 GLN H H 5 8.180 7.929 0.251 1
1 26 . 3 1 1 A 5 5 GLN HA H 5 4.140 4.338 -0.198 1
1 33 . 3 1 1 A 6 6 CYS H H 6 8.250 8.533 -0.283 1
1 34 . 3 1 1 A 6 6 CYS HA H 6 5.070 4.686 0.384 1
1 37 . 3 1 1 A 7 7 CYS H H 7 8.270 8.111 0.159 1
1 38 . 3 1 1 A 7 7 CYS HA H 7 4.860 4.753 0.107 1
1 41 . 3 1 1 A 8 8 THR HA H 8 4.180 4.398 -0.218 1
1 46 . 3 1 1 A 9 9 SER H H 9 8.210 7.748 0.462 1
1 47 . 3 1 1 A 9 9 SER HA H 9 4.650 4.732 -0.082 1
1 50 . 3 1 1 A 10 10 ILE HA H 10 4.280 4.690 -0.410 1
1 59 . 3 1 1 A 11 11 CYS HA H 11 4.920 5.293 -0.373 1
1 62 . 3 1 1 A 12 12 SER H H 12 8.200 8.640 -0.440 1
1 63 . 3 1 1 A 12 12 SER HA H 12 4.660 4.872 -0.212 1
1 66 . 3 1 1 A 13 13 LEU H H 13 8.220 8.400 -0.180 1
1 67 . 3 1 1 A 13 13 LEU HA H 13 3.970 3.973 -0.003 1
1 77 . 3 1 1 A 14 14 TYR H H 14 7.650 7.400 0.250 1
1 78 . 3 1 1 A 14 14 TYR HA H 14 4.400 4.338 0.062 1
1 85 . 3 1 1 A 15 15 GLN H H 15 7.530 7.434 0.096 1
1 86 . 3 1 1 A 15 15 GLN HA H 15 4.030 4.013 0.017 1
1 93 . 3 1 1 A 16 16 LEU H H 16 7.860 7.601 0.259 1
1 94 . 3 1 1 A 16 16 LEU HA H 16 4.190 3.884 0.306 1
1 104 . 3 1 1 A 17 17 GLU H H 17 8.020 7.569 0.451 1
1 105 . 3 1 1 A 17 17 GLU HA H 17 4.120 4.001 0.119 1
1 110 . 3 1 1 A 18 18 ASN H H 18 7.470 7.985 -0.515 1
1 111 . 3 1 1 A 18 18 ASN HA H 18 4.500 4.521 -0.021 1
1 116 . 3 1 1 A 19 19 TYR H H 19 7.940 7.143 0.797 1
1 117 . 3 1 1 A 19 19 TYR HA H 19 4.570 4.485 0.085 1
1 124 . 3 1 1 A 20 20 CYS H H 20 7.520 7.566 -0.046 1
1 125 . 3 1 1 A 20 20 CYS HA H 20 4.730 4.855 -0.125 1
1 142 . 3 2 2 B 2 2 VAL H H 2 8.340 8.705 -0.365 1
1 143 . 3 2 2 B 2 2 VAL HA H 2 4.050 4.276 -0.226 1
1 151 . 3 2 2 B 3 3 ASN H H 3 8.480 8.173 0.307 1
1 152 . 3 2 2 B 3 3 ASN HA H 3 4.600 4.825 -0.225 1
1 157 . 3 2 2 B 4 4 GLN HA H 4 4.500 4.731 -0.231 1
1 164 . 3 2 2 B 5 5 HIS H H 5 8.440 8.751 -0.311 1
1 165 . 3 2 2 B 5 5 HIS HA H 5 4.470 4.704 -0.234 1
1 170 . 3 2 2 B 6 6 LEU H H 6 8.840 8.566 0.274 1
1 171 . 3 2 2 B 6 6 LEU HA H 6 4.560 4.502 0.058 1
1 181 . 3 2 2 B 7 7 CYS H H 7 8.680 7.893 0.787 1
1 182 . 3 2 2 B 7 7 CYS HA H 7 4.910 4.279 0.631 1
1 185 . 3 2 2 B 8 8 GLY HA2 H 8 4.020 3.895 0.125 1
1 186 . 3 2 2 B 8 8 GLY HA3 H 8 3.880 3.908 -0.028 1
1 187 . 3 2 2 B 9 9 SER HA H 9 4.100 4.163 -0.063 1
1 190 . 3 2 2 B 10 10 ASP H H 10 8.080 7.331 0.749 1
1 191 . 3 2 2 B 10 10 ASP HA H 10 4.460 4.547 -0.087 1
1 194 . 3 2 2 B 11 11 LEU H H 11 7.080 8.593 -1.513 1
1 195 . 3 2 2 B 11 11 LEU HA H 11 4.040 4.069 -0.029 1
1 205 . 3 2 2 B 12 12 VAL H H 12 7.170 8.734 -1.564 1
1 206 . 3 2 2 B 12 12 VAL HA H 12 3.430 3.942 -0.512 1
1 214 . 3 2 2 B 13 13 GLU H H 13 8.050 8.587 -0.537 1
1 215 . 3 2 2 B 13 13 GLU HA H 13 4.090 4.236 -0.146 1
1 220 . 3 2 2 B 14 14 ALA H H 14 7.760 8.177 -0.417 1
1 221 . 3 2 2 B 14 14 ALA HA H 14 4.100 4.184 -0.084 1
1 225 . 3 2 2 B 15 15 LEU H H 15 8.050 7.964 0.086 1
1 226 . 3 2 2 B 15 15 LEU HA H 15 3.970 4.054 -0.084 1
1 236 . 3 2 2 B 16 16 TYR H H 16 7.860 8.301 -0.441 1
1 237 . 3 2 2 B 16 16 TYR HA H 16 4.220 4.050 0.170 1
1 244 . 3 2 2 B 17 17 LEU H H 17 7.790 7.442 0.348 1
1 245 . 3 2 2 B 17 17 LEU HA H 17 4.110 3.440 0.670 1
1 255 . 3 2 2 B 18 18 VAL H H 18 8.250 7.160 1.090 1
1 256 . 3 2 2 B 18 18 VAL HA H 18 3.860 3.843 0.017 1
1 264 . 3 2 2 B 19 19 CYS H H 19 8.720 8.012 0.708 1
1 265 . 3 2 2 B 19 19 CYS HA H 19 4.770 4.297 0.473 1
1 268 . 3 2 2 B 20 20 GLY H H 20 7.930 8.547 -0.617 1
1 269 . 3 2 2 B 20 20 GLY HA2 H 20 3.960 3.710 0.250 1
1 270 . 3 2 2 B 20 20 GLY HA3 H 20 3.740 3.980 -0.240 1
1 271 . 3 2 2 B 21 21 GLU H H 21 8.340 7.901 0.439 1
1 272 . 3 2 2 B 21 21 GLU HA H 21 4.220 4.647 -0.427 1
1 277 . 3 2 2 B 22 22 ARG H H 22 8.060 7.759 0.301 1
1 278 . 3 2 2 B 22 22 ARG HA H 22 4.300 4.449 -0.149 1
1 301 . 3 2 2 B 26 26 TYR H H 26 7.980 7.999 -0.019 1
1 302 . 3 2 2 B 26 26 TYR HA H 26 4.610 4.424 0.186 1
1 309 . 3 2 2 B 27 27 THR H H 27 7.840 8.248 -0.408 1
1 310 . 3 2 2 B 27 27 THR HA H 27 4.310 4.921 -0.611 1
1 315 . 3 2 2 B 28 28 LYS H H 28 8.160 8.141 0.019 1
1 316 . 3 2 2 B 28 28 LYS HA H 28 4.480 4.243 0.237 1
1 325 . 3 2 2 B 29 29 PRO HA H 29 4.400 4.797 -0.397 1
1 1 . 4 1 1 A 2 2 ILE HA H 2 3.940 3.938 0.002 1
1 11 . 4 1 1 A 3 3 VAL H H 3 8.180 7.697 0.483 1
1 12 . 4 1 1 A 3 3 VAL HA H 3 3.620 3.584 0.036 1
1 20 . 4 1 1 A 4 4 GLU HA H 4 4.170 3.968 0.202 1
1 25 . 4 1 1 A 5 5 GLN H H 5 8.180 8.038 0.142 1
1 26 . 4 1 1 A 5 5 GLN HA H 5 4.140 4.355 -0.215 1
1 33 . 4 1 1 A 6 6 CYS H H 6 8.250 8.223 0.027 1
1 34 . 4 1 1 A 6 6 CYS HA H 6 5.070 4.728 0.342 1
1 37 . 4 1 1 A 7 7 CYS H H 7 8.270 8.114 0.156 1
1 38 . 4 1 1 A 7 7 CYS HA H 7 4.860 4.767 0.093 1
1 41 . 4 1 1 A 8 8 THR HA H 8 4.180 4.508 -0.328 1
1 46 . 4 1 1 A 9 9 SER H H 9 8.210 7.774 0.436 1
1 47 . 4 1 1 A 9 9 SER HA H 9 4.650 4.727 -0.077 1
1 50 . 4 1 1 A 10 10 ILE HA H 10 4.280 4.687 -0.407 1
1 59 . 4 1 1 A 11 11 CYS HA H 11 4.920 5.314 -0.394 1
1 62 . 4 1 1 A 12 12 SER H H 12 8.200 8.600 -0.400 1
1 63 . 4 1 1 A 12 12 SER HA H 12 4.660 4.988 -0.328 1
1 66 . 4 1 1 A 13 13 LEU H H 13 8.220 8.693 -0.473 1
1 67 . 4 1 1 A 13 13 LEU HA H 13 3.970 4.007 -0.037 1
1 77 . 4 1 1 A 14 14 TYR H H 14 7.650 8.015 -0.365 1
1 78 . 4 1 1 A 14 14 TYR HA H 14 4.400 4.256 0.144 1
1 85 . 4 1 1 A 15 15 GLN H H 15 7.530 7.038 0.492 1
1 86 . 4 1 1 A 15 15 GLN HA H 15 4.030 3.793 0.237 1
1 93 . 4 1 1 A 16 16 LEU H H 16 7.860 7.006 0.854 1
1 94 . 4 1 1 A 16 16 LEU HA H 16 4.190 1.776 2.414 1
1 104 . 4 1 1 A 17 17 GLU H H 17 8.020 8.144 -0.124 1
1 105 . 4 1 1 A 17 17 GLU HA H 17 4.120 3.923 0.197 1
1 110 . 4 1 1 A 18 18 ASN H H 18 7.470 7.438 0.032 1
1 111 . 4 1 1 A 18 18 ASN HA H 18 4.500 4.589 -0.089 1
1 116 . 4 1 1 A 19 19 TYR H H 19 7.940 8.233 -0.293 1
1 117 . 4 1 1 A 19 19 TYR HA H 19 4.570 4.434 0.136 1
1 124 . 4 1 1 A 20 20 CYS H H 20 7.520 7.304 0.216 1
1 125 . 4 1 1 A 20 20 CYS HA H 20 4.730 4.654 0.076 1
1 142 . 4 2 2 B 2 2 VAL H H 2 8.340 8.705 -0.365 1
1 143 . 4 2 2 B 2 2 VAL HA H 2 4.050 4.423 -0.373 1
1 151 . 4 2 2 B 3 3 ASN H H 3 8.480 8.588 -0.108 1
1 152 . 4 2 2 B 3 3 ASN HA H 3 4.600 4.887 -0.287 1
1 157 . 4 2 2 B 4 4 GLN HA H 4 4.500 4.739 -0.239 1
1 164 . 4 2 2 B 5 5 HIS H H 5 8.440 8.878 -0.438 1
1 165 . 4 2 2 B 5 5 HIS HA H 5 4.470 4.872 -0.402 1
1 170 . 4 2 2 B 6 6 LEU H H 6 8.840 8.537 0.303 1
1 171 . 4 2 2 B 6 6 LEU HA H 6 4.560 4.527 0.033 1
1 181 . 4 2 2 B 7 7 CYS H H 7 8.680 7.776 0.904 1
1 182 . 4 2 2 B 7 7 CYS HA H 7 4.910 4.267 0.643 1
1 185 . 4 2 2 B 8 8 GLY HA2 H 8 4.020 3.876 0.144 1
1 186 . 4 2 2 B 8 8 GLY HA3 H 8 3.880 3.877 0.003 1
1 187 . 4 2 2 B 9 9 SER HA H 9 4.100 4.143 -0.043 1
1 190 . 4 2 2 B 10 10 ASP H H 10 8.080 8.273 -0.193 1
1 191 . 4 2 2 B 10 10 ASP HA H 10 4.460 4.601 -0.141 1
1 194 . 4 2 2 B 11 11 LEU H H 11 7.080 8.366 -1.286 1
1 195 . 4 2 2 B 11 11 LEU HA H 11 4.040 4.049 -0.009 1
1 205 . 4 2 2 B 12 12 VAL H H 12 7.170 8.706 -1.536 1
1 206 . 4 2 2 B 12 12 VAL HA H 12 3.430 3.887 -0.457 1
1 214 . 4 2 2 B 13 13 GLU H H 13 8.050 8.376 -0.326 1
1 215 . 4 2 2 B 13 13 GLU HA H 13 4.090 4.282 -0.192 1
1 220 . 4 2 2 B 14 14 ALA H H 14 7.760 7.792 -0.032 1
1 221 . 4 2 2 B 14 14 ALA HA H 14 4.100 4.187 -0.087 1
1 225 . 4 2 2 B 15 15 LEU H H 15 8.050 8.163 -0.113 1
1 226 . 4 2 2 B 15 15 LEU HA H 15 3.970 4.042 -0.072 1
1 236 . 4 2 2 B 16 16 TYR H H 16 7.860 8.302 -0.442 1
1 237 . 4 2 2 B 16 16 TYR HA H 16 4.220 4.178 0.042 1
1 244 . 4 2 2 B 17 17 LEU H H 17 7.790 7.477 0.313 1
1 245 . 4 2 2 B 17 17 LEU HA H 17 4.110 3.448 0.662 1
1 255 . 4 2 2 B 18 18 VAL H H 18 8.250 7.505 0.745 1
1 256 . 4 2 2 B 18 18 VAL HA H 18 3.860 3.692 0.168 1
1 264 . 4 2 2 B 19 19 CYS H H 19 8.720 7.467 1.253 1
1 265 . 4 2 2 B 19 19 CYS HA H 19 4.770 4.426 0.344 1
1 268 . 4 2 2 B 20 20 GLY H H 20 7.930 8.105 -0.175 1
1 269 . 4 2 2 B 20 20 GLY HA2 H 20 3.960 4.060 -0.100 1
1 270 . 4 2 2 B 20 20 GLY HA3 H 20 3.740 4.081 -0.341 1
1 271 . 4 2 2 B 21 21 GLU H H 21 8.340 8.764 -0.424 1
1 272 . 4 2 2 B 21 21 GLU HA H 21 4.220 4.126 0.094 1
1 277 . 4 2 2 B 22 22 ARG H H 22 8.060 8.220 -0.160 1
1 278 . 4 2 2 B 22 22 ARG HA H 22 4.300 4.153 0.147 1
1 301 . 4 2 2 B 26 26 TYR H H 26 7.980 7.144 0.836 1
1 302 . 4 2 2 B 26 26 TYR HA H 26 4.610 4.785 -0.175 1
1 309 . 4 2 2 B 27 27 THR H H 27 7.840 8.249 -0.409 1
1 310 . 4 2 2 B 27 27 THR HA H 27 4.310 4.590 -0.280 1
1 315 . 4 2 2 B 28 28 LYS H H 28 8.160 8.455 -0.295 1
1 316 . 4 2 2 B 28 28 LYS HA H 28 4.480 4.598 -0.118 1
1 325 . 4 2 2 B 29 29 PRO HA H 29 4.400 4.793 -0.393 1
1 1 . 5 1 1 A 2 2 ILE HA H 2 3.940 3.872 0.068 1
1 11 . 5 1 1 A 3 3 VAL H H 3 8.180 8.203 -0.023 1
1 12 . 5 1 1 A 3 3 VAL HA H 3 3.620 3.858 -0.238 1
1 20 . 5 1 1 A 4 4 GLU HA H 4 4.170 3.965 0.205 1
1 25 . 5 1 1 A 5 5 GLN H H 5 8.180 7.903 0.277 1
1 26 . 5 1 1 A 5 5 GLN HA H 5 4.140 4.341 -0.201 1
1 33 . 5 1 1 A 6 6 CYS H H 6 8.250 8.079 0.171 1
1 34 . 5 1 1 A 6 6 CYS HA H 6 5.070 4.730 0.340 1
1 37 . 5 1 1 A 7 7 CYS H H 7 8.270 8.123 0.147 1
1 38 . 5 1 1 A 7 7 CYS HA H 7 4.860 4.771 0.089 1
1 41 . 5 1 1 A 8 8 THR HA H 8 4.180 4.354 -0.174 1
1 46 . 5 1 1 A 9 9 SER H H 9 8.210 8.122 0.088 1
1 47 . 5 1 1 A 9 9 SER HA H 9 4.650 4.784 -0.134 1
1 50 . 5 1 1 A 10 10 ILE HA H 10 4.280 4.865 -0.585 1
1 59 . 5 1 1 A 11 11 CYS HA H 11 4.920 5.329 -0.409 1
1 62 . 5 1 1 A 12 12 SER H H 12 8.200 8.605 -0.405 1
1 63 . 5 1 1 A 12 12 SER HA H 12 4.660 4.964 -0.304 1
1 66 . 5 1 1 A 13 13 LEU H H 13 8.220 8.763 -0.543 1
1 67 . 5 1 1 A 13 13 LEU HA H 13 3.970 4.070 -0.100 1
1 77 . 5 1 1 A 14 14 TYR H H 14 7.650 7.900 -0.250 1
1 78 . 5 1 1 A 14 14 TYR HA H 14 4.400 4.356 0.044 1
1 85 . 5 1 1 A 15 15 GLN H H 15 7.530 7.485 0.045 1
1 86 . 5 1 1 A 15 15 GLN HA H 15 4.030 3.570 0.460 1
1 93 . 5 1 1 A 16 16 LEU H H 16 7.860 7.381 0.479 1
1 94 . 5 1 1 A 16 16 LEU HA H 16 4.190 3.702 0.488 1
1 104 . 5 1 1 A 17 17 GLU H H 17 8.020 8.015 0.005 1
1 105 . 5 1 1 A 17 17 GLU HA H 17 4.120 3.949 0.171 1
1 110 . 5 1 1 A 18 18 ASN H H 18 7.470 7.667 -0.197 1
1 111 . 5 1 1 A 18 18 ASN HA H 18 4.500 4.518 -0.018 1
1 116 . 5 1 1 A 19 19 TYR H H 19 7.940 7.728 0.212 1
1 117 . 5 1 1 A 19 19 TYR HA H 19 4.570 4.482 0.088 1
1 124 . 5 1 1 A 20 20 CYS H H 20 7.520 7.913 -0.393 1
1 125 . 5 1 1 A 20 20 CYS HA H 20 4.730 4.489 0.241 1
1 142 . 5 2 2 B 2 2 VAL H H 2 8.340 8.859 -0.519 1
1 143 . 5 2 2 B 2 2 VAL HA H 2 4.050 4.741 -0.691 1
1 151 . 5 2 2 B 3 3 ASN H H 3 8.480 8.920 -0.440 1
1 152 . 5 2 2 B 3 3 ASN HA H 3 4.600 4.983 -0.383 1
1 157 . 5 2 2 B 4 4 GLN HA H 4 4.500 4.820 -0.320 1
1 164 . 5 2 2 B 5 5 HIS H H 5 8.440 8.966 -0.526 1
1 165 . 5 2 2 B 5 5 HIS HA H 5 4.470 4.687 -0.217 1
1 170 . 5 2 2 B 6 6 LEU H H 6 8.840 8.593 0.247 1
1 171 . 5 2 2 B 6 6 LEU HA H 6 4.560 4.540 0.020 1
1 181 . 5 2 2 B 7 7 CYS H H 7 8.680 7.904 0.776 1
1 182 . 5 2 2 B 7 7 CYS HA H 7 4.910 4.289 0.621 1
1 185 . 5 2 2 B 8 8 GLY HA2 H 8 4.020 3.905 0.115 1
1 186 . 5 2 2 B 8 8 GLY HA3 H 8 3.880 3.924 -0.044 1
1 187 . 5 2 2 B 9 9 SER HA H 9 4.100 4.133 -0.033 1
1 190 . 5 2 2 B 10 10 ASP H H 10 8.080 7.489 0.591 1
1 191 . 5 2 2 B 10 10 ASP HA H 10 4.460 4.536 -0.076 1
1 194 . 5 2 2 B 11 11 LEU H H 11 7.080 8.465 -1.385 1
1 195 . 5 2 2 B 11 11 LEU HA H 11 4.040 4.051 -0.011 1
1 205 . 5 2 2 B 12 12 VAL H H 12 7.170 8.312 -1.142 1
1 206 . 5 2 2 B 12 12 VAL HA H 12 3.430 3.998 -0.568 1
1 214 . 5 2 2 B 13 13 GLU H H 13 8.050 7.889 0.161 1
1 215 . 5 2 2 B 13 13 GLU HA H 13 4.090 4.161 -0.071 1
1 220 . 5 2 2 B 14 14 ALA H H 14 7.760 7.739 0.021 1
1 221 . 5 2 2 B 14 14 ALA HA H 14 4.100 4.197 -0.097 1
1 225 . 5 2 2 B 15 15 LEU H H 15 8.050 7.800 0.250 1
1 226 . 5 2 2 B 15 15 LEU HA H 15 3.970 4.031 -0.061 1
1 236 . 5 2 2 B 16 16 TYR H H 16 7.860 8.090 -0.230 1
1 237 . 5 2 2 B 16 16 TYR HA H 16 4.220 4.207 0.013 1
1 244 . 5 2 2 B 17 17 LEU H H 17 7.790 7.690 0.100 1
1 245 . 5 2 2 B 17 17 LEU HA H 17 4.110 3.473 0.637 1
1 255 . 5 2 2 B 18 18 VAL H H 18 8.250 7.724 0.526 1
1 256 . 5 2 2 B 18 18 VAL HA H 18 3.860 3.740 0.120 1
1 264 . 5 2 2 B 19 19 CYS H H 19 8.720 7.793 0.927 1
1 265 . 5 2 2 B 19 19 CYS HA H 19 4.770 4.274 0.496 1
1 268 . 5 2 2 B 20 20 GLY H H 20 7.930 7.958 -0.028 1
1 269 . 5 2 2 B 20 20 GLY HA2 H 20 3.960 3.761 0.199 1
1 270 . 5 2 2 B 20 20 GLY HA3 H 20 3.740 3.916 -0.176 1
1 271 . 5 2 2 B 21 21 GLU H H 21 8.340 8.794 -0.454 1
1 272 . 5 2 2 B 21 21 GLU HA H 21 4.220 4.242 -0.022 1
1 277 . 5 2 2 B 22 22 ARG H H 22 8.060 8.003 0.057 1
1 278 . 5 2 2 B 22 22 ARG HA H 22 4.300 4.070 0.230 1
1 301 . 5 2 2 B 26 26 TYR H H 26 7.980 8.979 -0.999 1
1 302 . 5 2 2 B 26 26 TYR HA H 26 4.610 4.466 0.144 1
1 309 . 5 2 2 B 27 27 THR H H 27 7.840 8.336 -0.496 1
1 310 . 5 2 2 B 27 27 THR HA H 27 4.310 5.111 -0.801 1
1 315 . 5 2 2 B 28 28 LYS H H 28 8.160 8.571 -0.411 1
1 316 . 5 2 2 B 28 28 LYS HA H 28 4.480 4.828 -0.348 1
1 325 . 5 2 2 B 29 29 PRO HA H 29 4.400 4.476 -0.076 1
1 1 . 6 1 1 A 2 2 ILE HA H 2 3.940 4.083 -0.143 1
1 11 . 6 1 1 A 3 3 VAL H H 3 8.180 7.716 0.464 1
1 12 . 6 1 1 A 3 3 VAL HA H 3 3.620 3.485 0.135 1
1 20 . 6 1 1 A 4 4 GLU HA H 4 4.170 3.991 0.179 1
1 25 . 6 1 1 A 5 5 GLN H H 5 8.180 8.109 0.071 1
1 26 . 6 1 1 A 5 5 GLN HA H 5 4.140 4.438 -0.298 1
1 33 . 6 1 1 A 6 6 CYS H H 6 8.250 9.406 -1.156 1
1 34 . 6 1 1 A 6 6 CYS HA H 6 5.070 4.668 0.402 1
1 37 . 6 1 1 A 7 7 CYS H H 7 8.270 7.825 0.445 1
1 38 . 6 1 1 A 7 7 CYS HA H 7 4.860 4.772 0.088 1
1 41 . 6 1 1 A 8 8 THR HA H 8 4.180 4.491 -0.311 1
1 46 . 6 1 1 A 9 9 SER H H 9 8.210 8.057 0.153 1
1 47 . 6 1 1 A 9 9 SER HA H 9 4.650 4.765 -0.115 1
1 50 . 6 1 1 A 10 10 ILE HA H 10 4.280 4.697 -0.417 1
1 59 . 6 1 1 A 11 11 CYS HA H 11 4.920 4.791 0.129 1
1 62 . 6 1 1 A 12 12 SER H H 12 8.200 8.482 -0.282 1
1 63 . 6 1 1 A 12 12 SER HA H 12 4.660 4.836 -0.176 1
1 66 . 6 1 1 A 13 13 LEU H H 13 8.220 8.827 -0.607 1
1 67 . 6 1 1 A 13 13 LEU HA H 13 3.970 4.011 -0.041 1
1 77 . 6 1 1 A 14 14 TYR H H 14 7.650 7.929 -0.279 1
1 78 . 6 1 1 A 14 14 TYR HA H 14 4.400 4.244 0.156 1
1 85 . 6 1 1 A 15 15 GLN H H 15 7.530 6.688 0.842 1
1 86 . 6 1 1 A 15 15 GLN HA H 15 4.030 3.750 0.280 1
1 93 . 6 1 1 A 16 16 LEU H H 16 7.860 7.350 0.510 1
1 94 . 6 1 1 A 16 16 LEU HA H 16 4.190 3.017 1.173 1
1 104 . 6 1 1 A 17 17 GLU H H 17 8.020 8.171 -0.151 1
1 105 . 6 1 1 A 17 17 GLU HA H 17 4.120 3.948 0.172 1
1 110 . 6 1 1 A 18 18 ASN H H 18 7.470 7.842 -0.372 1
1 111 . 6 1 1 A 18 18 ASN HA H 18 4.500 4.602 -0.102 1
1 116 . 6 1 1 A 19 19 TYR H H 19 7.940 8.475 -0.535 1
1 117 . 6 1 1 A 19 19 TYR HA H 19 4.570 4.386 0.184 1
1 124 . 6 1 1 A 20 20 CYS H H 20 7.520 7.266 0.254 1
1 125 . 6 1 1 A 20 20 CYS HA H 20 4.730 4.619 0.111 1
1 142 . 6 2 2 B 2 2 VAL H H 2 8.340 8.544 -0.204 1
1 143 . 6 2 2 B 2 2 VAL HA H 2 4.050 4.490 -0.440 1
1 151 . 6 2 2 B 3 3 ASN H H 3 8.480 8.863 -0.383 1
1 152 . 6 2 2 B 3 3 ASN HA H 3 4.600 5.074 -0.474 1
1 157 . 6 2 2 B 4 4 GLN HA H 4 4.500 4.730 -0.230 1
1 164 . 6 2 2 B 5 5 HIS H H 5 8.440 8.863 -0.423 1
1 165 . 6 2 2 B 5 5 HIS HA H 5 4.470 4.820 -0.350 1
1 170 . 6 2 2 B 6 6 LEU H H 6 8.840 8.509 0.331 1
1 171 . 6 2 2 B 6 6 LEU HA H 6 4.560 4.526 0.034 1
1 181 . 6 2 2 B 7 7 CYS H H 7 8.680 7.714 0.966 1
1 182 . 6 2 2 B 7 7 CYS HA H 7 4.910 4.215 0.695 1
1 185 . 6 2 2 B 8 8 GLY HA2 H 8 4.020 3.900 0.120 1
1 186 . 6 2 2 B 8 8 GLY HA3 H 8 3.880 3.904 -0.024 1
1 187 . 6 2 2 B 9 9 SER HA H 9 4.100 4.247 -0.147 1
1 190 . 6 2 2 B 10 10 ASP H H 10 8.080 8.213 -0.133 1
1 191 . 6 2 2 B 10 10 ASP HA H 10 4.460 4.545 -0.085 1
1 194 . 6 2 2 B 11 11 LEU H H 11 7.080 8.301 -1.221 1
1 195 . 6 2 2 B 11 11 LEU HA H 11 4.040 4.052 -0.012 1
1 205 . 6 2 2 B 12 12 VAL H H 12 7.170 8.372 -1.202 1
1 206 . 6 2 2 B 12 12 VAL HA H 12 3.430 4.030 -0.600 1
1 214 . 6 2 2 B 13 13 GLU H H 13 8.050 8.102 -0.052 1
1 215 . 6 2 2 B 13 13 GLU HA H 13 4.090 4.168 -0.078 1
1 220 . 6 2 2 B 14 14 ALA H H 14 7.760 7.955 -0.195 1
1 221 . 6 2 2 B 14 14 ALA HA H 14 4.100 4.150 -0.050 1
1 225 . 6 2 2 B 15 15 LEU H H 15 8.050 7.781 0.269 1
1 226 . 6 2 2 B 15 15 LEU HA H 15 3.970 4.074 -0.104 1
1 236 . 6 2 2 B 16 16 TYR H H 16 7.860 8.425 -0.565 1
1 237 . 6 2 2 B 16 16 TYR HA H 16 4.220 4.220 0.000 1
1 244 . 6 2 2 B 17 17 LEU H H 17 7.790 7.476 0.314 1
1 245 . 6 2 2 B 17 17 LEU HA H 17 4.110 3.449 0.661 1
1 255 . 6 2 2 B 18 18 VAL H H 18 8.250 8.170 0.080 1
1 256 . 6 2 2 B 18 18 VAL HA H 18 3.860 3.541 0.319 1
1 264 . 6 2 2 B 19 19 CYS H H 19 8.720 7.783 0.937 1
1 265 . 6 2 2 B 19 19 CYS HA H 19 4.770 4.357 0.413 1
1 268 . 6 2 2 B 20 20 GLY H H 20 7.930 8.315 -0.385 1
1 269 . 6 2 2 B 20 20 GLY HA2 H 20 3.960 3.953 0.007 1
1 270 . 6 2 2 B 20 20 GLY HA3 H 20 3.740 3.981 -0.241 1
1 271 . 6 2 2 B 21 21 GLU H H 21 8.340 8.704 -0.364 1
1 272 . 6 2 2 B 21 21 GLU HA H 21 4.220 4.560 -0.340 1
1 277 . 6 2 2 B 22 22 ARG H H 22 8.060 8.066 -0.006 1
1 278 . 6 2 2 B 22 22 ARG HA H 22 4.300 4.577 -0.277 1
1 301 . 6 2 2 B 26 26 TYR H H 26 7.980 7.507 0.473 1
1 302 . 6 2 2 B 26 26 TYR HA H 26 4.610 3.903 0.707 1
1 309 . 6 2 2 B 27 27 THR H H 27 7.840 7.746 0.094 1
1 310 . 6 2 2 B 27 27 THR HA H 27 4.310 5.163 -0.853 1
1 315 . 6 2 2 B 28 28 LYS H H 28 8.160 8.847 -0.687 1
1 316 . 6 2 2 B 28 28 LYS HA H 28 4.480 5.056 -0.576 1
1 325 . 6 2 2 B 29 29 PRO HA H 29 4.400 4.691 -0.291 1
1 1 . 7 1 1 A 2 2 ILE HA H 2 3.940 3.574 0.366 1
1 11 . 7 1 1 A 3 3 VAL H H 3 8.180 8.075 0.105 1
1 12 . 7 1 1 A 3 3 VAL HA H 3 3.620 3.833 -0.213 1
1 20 . 7 1 1 A 4 4 GLU HA H 4 4.170 3.958 0.212 1
1 25 . 7 1 1 A 5 5 GLN H H 5 8.180 7.929 0.251 1
1 26 . 7 1 1 A 5 5 GLN HA H 5 4.140 4.348 -0.208 1
1 33 . 7 1 1 A 6 6 CYS H H 6 8.250 8.269 -0.019 1
1 34 . 7 1 1 A 6 6 CYS HA H 6 5.070 4.715 0.355 1
1 37 . 7 1 1 A 7 7 CYS H H 7 8.270 8.118 0.152 1
1 38 . 7 1 1 A 7 7 CYS HA H 7 4.860 4.760 0.100 1
1 41 . 7 1 1 A 8 8 THR HA H 8 4.180 4.418 -0.238 1
1 46 . 7 1 1 A 9 9 SER H H 9 8.210 7.781 0.429 1
1 47 . 7 1 1 A 9 9 SER HA H 9 4.650 4.741 -0.091 1
1 50 . 7 1 1 A 10 10 ILE HA H 10 4.280 4.662 -0.382 1
1 59 . 7 1 1 A 11 11 CYS HA H 11 4.920 5.112 -0.192 1
1 62 . 7 1 1 A 12 12 SER H H 12 8.200 8.383 -0.183 1
1 63 . 7 1 1 A 12 12 SER HA H 12 4.660 4.853 -0.193 1
1 66 . 7 1 1 A 13 13 LEU H H 13 8.220 8.496 -0.276 1
1 67 . 7 1 1 A 13 13 LEU HA H 13 3.970 4.002 -0.032 1
1 77 . 7 1 1 A 14 14 TYR H H 14 7.650 7.596 0.054 1
1 78 . 7 1 1 A 14 14 TYR HA H 14 4.400 4.382 0.018 1
1 85 . 7 1 1 A 15 15 GLN H H 15 7.530 7.312 0.218 1
1 86 . 7 1 1 A 15 15 GLN HA H 15 4.030 3.877 0.153 1
1 93 . 7 1 1 A 16 16 LEU H H 16 7.860 7.184 0.676 1
1 94 . 7 1 1 A 16 16 LEU HA H 16 4.190 3.360 0.830 1
1 104 . 7 1 1 A 17 17 GLU H H 17 8.020 7.988 0.032 1
1 105 . 7 1 1 A 17 17 GLU HA H 17 4.120 3.989 0.131 1
1 110 . 7 1 1 A 18 18 ASN H H 18 7.470 7.541 -0.071 1
1 111 . 7 1 1 A 18 18 ASN HA H 18 4.500 4.624 -0.124 1
1 116 . 7 1 1 A 19 19 TYR H H 19 7.940 7.391 0.549 1
1 117 . 7 1 1 A 19 19 TYR HA H 19 4.570 4.424 0.146 1
1 124 . 7 1 1 A 20 20 CYS H H 20 7.520 7.458 0.062 1
1 125 . 7 1 1 A 20 20 CYS HA H 20 4.730 4.701 0.029 1
1 142 . 7 2 2 B 2 2 VAL H H 2 8.340 8.680 -0.340 1
1 143 . 7 2 2 B 2 2 VAL HA H 2 4.050 5.055 -1.005 1
1 151 . 7 2 2 B 3 3 ASN H H 3 8.480 8.752 -0.272 1
1 152 . 7 2 2 B 3 3 ASN HA H 3 4.600 5.019 -0.419 1
1 157 . 7 2 2 B 4 4 GLN HA H 4 4.500 4.683 -0.183 1
1 164 . 7 2 2 B 5 5 HIS H H 5 8.440 8.803 -0.363 1
1 165 . 7 2 2 B 5 5 HIS HA H 5 4.470 4.701 -0.231 1
1 170 . 7 2 2 B 6 6 LEU H H 6 8.840 8.577 0.263 1
1 171 . 7 2 2 B 6 6 LEU HA H 6 4.560 4.540 0.020 1
1 181 . 7 2 2 B 7 7 CYS H H 7 8.680 7.899 0.781 1
1 182 . 7 2 2 B 7 7 CYS HA H 7 4.910 4.270 0.640 1
1 185 . 7 2 2 B 8 8 GLY HA2 H 8 4.020 3.861 0.159 1
1 186 . 7 2 2 B 8 8 GLY HA3 H 8 3.880 3.872 0.008 1
1 187 . 7 2 2 B 9 9 SER HA H 9 4.100 4.075 0.025 1
1 190 . 7 2 2 B 10 10 ASP H H 10 8.080 7.471 0.609 1
1 191 . 7 2 2 B 10 10 ASP HA H 10 4.460 4.556 -0.096 1
1 194 . 7 2 2 B 11 11 LEU H H 11 7.080 8.581 -1.501 1
1 195 . 7 2 2 B 11 11 LEU HA H 11 4.040 4.010 0.030 1
1 205 . 7 2 2 B 12 12 VAL H H 12 7.170 8.578 -1.408 1
1 206 . 7 2 2 B 12 12 VAL HA H 12 3.430 3.897 -0.467 1
1 214 . 7 2 2 B 13 13 GLU H H 13 8.050 8.265 -0.215 1
1 215 . 7 2 2 B 13 13 GLU HA H 13 4.090 4.167 -0.077 1
1 220 . 7 2 2 B 14 14 ALA H H 14 7.760 7.826 -0.066 1
1 221 . 7 2 2 B 14 14 ALA HA H 14 4.100 4.117 -0.017 1
1 225 . 7 2 2 B 15 15 LEU H H 15 8.050 7.958 0.092 1
1 226 . 7 2 2 B 15 15 LEU HA H 15 3.970 4.006 -0.036 1
1 236 . 7 2 2 B 16 16 TYR H H 16 7.860 8.290 -0.430 1
1 237 . 7 2 2 B 16 16 TYR HA H 16 4.220 4.213 0.007 1
1 244 . 7 2 2 B 17 17 LEU H H 17 7.790 7.584 0.206 1
1 245 . 7 2 2 B 17 17 LEU HA H 17 4.110 3.480 0.630 1
1 255 . 7 2 2 B 18 18 VAL H H 18 8.250 7.649 0.601 1
1 256 . 7 2 2 B 18 18 VAL HA H 18 3.860 3.492 0.368 1
1 264 . 7 2 2 B 19 19 CYS H H 19 8.720 7.685 1.035 1
1 265 . 7 2 2 B 19 19 CYS HA H 19 4.770 4.198 0.572 1
1 268 . 7 2 2 B 20 20 GLY H H 20 7.930 7.597 0.333 1
1 269 . 7 2 2 B 20 20 GLY HA2 H 20 3.960 4.069 -0.109 1
1 270 . 7 2 2 B 20 20 GLY HA3 H 20 3.740 4.089 -0.349 1
1 271 . 7 2 2 B 21 21 GLU H H 21 8.340 8.912 -0.572 1
1 272 . 7 2 2 B 21 21 GLU HA H 21 4.220 4.625 -0.405 1
1 277 . 7 2 2 B 22 22 ARG H H 22 8.060 8.259 -0.199 1
1 278 . 7 2 2 B 22 22 ARG HA H 22 4.300 4.252 0.048 1
1 301 . 7 2 2 B 26 26 TYR H H 26 7.980 7.669 0.311 1
1 302 . 7 2 2 B 26 26 TYR HA H 26 4.610 4.219 0.391 1
1 309 . 7 2 2 B 27 27 THR H H 27 7.840 8.277 -0.437 1
1 310 . 7 2 2 B 27 27 THR HA H 27 4.310 4.600 -0.290 1
1 315 . 7 2 2 B 28 28 LYS H H 28 8.160 8.812 -0.652 1
1 316 . 7 2 2 B 28 28 LYS HA H 28 4.480 4.633 -0.153 1
1 325 . 7 2 2 B 29 29 PRO HA H 29 4.400 4.694 -0.294 1
1 1 . 8 1 1 A 2 2 ILE HA H 2 3.940 3.792 0.148 1
1 11 . 8 1 1 A 3 3 VAL H H 3 8.180 7.709 0.471 1
1 12 . 8 1 1 A 3 3 VAL HA H 3 3.620 3.518 0.102 1
1 20 . 8 1 1 A 4 4 GLU HA H 4 4.170 3.969 0.201 1
1 25 . 8 1 1 A 5 5 GLN H H 5 8.180 7.981 0.199 1
1 26 . 8 1 1 A 5 5 GLN HA H 5 4.140 4.346 -0.206 1
1 33 . 8 1 1 A 6 6 CYS H H 6 8.250 9.126 -0.876 1
1 34 . 8 1 1 A 6 6 CYS HA H 6 5.070 4.660 0.410 1
1 37 . 8 1 1 A 7 7 CYS H H 7 8.270 7.926 0.344 1
1 38 . 8 1 1 A 7 7 CYS HA H 7 4.860 4.777 0.083 1
1 41 . 8 1 1 A 8 8 THR HA H 8 4.180 4.404 -0.224 1
1 46 . 8 1 1 A 9 9 SER H H 9 8.210 7.794 0.416 1
1 47 . 8 1 1 A 9 9 SER HA H 9 4.650 4.742 -0.092 1
1 50 . 8 1 1 A 10 10 ILE HA H 10 4.280 4.850 -0.570 1
1 59 . 8 1 1 A 11 11 CYS HA H 11 4.920 5.427 -0.507 1
1 62 . 8 1 1 A 12 12 SER H H 12 8.200 8.549 -0.349 1
1 63 . 8 1 1 A 12 12 SER HA H 12 4.660 5.090 -0.430 1
1 66 . 8 1 1 A 13 13 LEU H H 13 8.220 8.720 -0.500 1
1 67 . 8 1 1 A 13 13 LEU HA H 13 3.970 4.126 -0.156 1
1 77 . 8 1 1 A 14 14 TYR H H 14 7.650 7.982 -0.332 1
1 78 . 8 1 1 A 14 14 TYR HA H 14 4.400 4.340 0.060 1
1 85 . 8 1 1 A 15 15 GLN H H 15 7.530 7.106 0.424 1
1 86 . 8 1 1 A 15 15 GLN HA H 15 4.030 3.570 0.460 1
1 93 . 8 1 1 A 16 16 LEU H H 16 7.860 7.157 0.703 1
1 94 . 8 1 1 A 16 16 LEU HA H 16 4.190 3.650 0.540 1
1 104 . 8 1 1 A 17 17 GLU H H 17 8.020 8.036 -0.016 1
1 105 . 8 1 1 A 17 17 GLU HA H 17 4.120 3.986 0.134 1
1 110 . 8 1 1 A 18 18 ASN H H 18 7.470 7.909 -0.439 1
1 111 . 8 1 1 A 18 18 ASN HA H 18 4.500 4.566 -0.066 1
1 116 . 8 1 1 A 19 19 TYR H H 19 7.940 7.394 0.546 1
1 117 . 8 1 1 A 19 19 TYR HA H 19 4.570 4.451 0.119 1
1 124 . 8 1 1 A 20 20 CYS H H 20 7.520 7.438 0.082 1
1 125 . 8 1 1 A 20 20 CYS HA H 20 4.730 4.449 0.281 1
1 142 . 8 2 2 B 2 2 VAL H H 2 8.340 7.162 1.178 1
1 143 . 8 2 2 B 2 2 VAL HA H 2 4.050 4.423 -0.373 1
1 151 . 8 2 2 B 3 3 ASN H H 3 8.480 9.056 -0.576 1
1 152 . 8 2 2 B 3 3 ASN HA H 3 4.600 5.128 -0.528 1
1 157 . 8 2 2 B 4 4 GLN HA H 4 4.500 4.710 -0.210 1
1 164 . 8 2 2 B 5 5 HIS H H 5 8.440 8.725 -0.285 1
1 165 . 8 2 2 B 5 5 HIS HA H 5 4.470 4.697 -0.227 1
1 170 . 8 2 2 B 6 6 LEU H H 6 8.840 8.495 0.345 1
1 171 . 8 2 2 B 6 6 LEU HA H 6 4.560 4.526 0.034 1
1 181 . 8 2 2 B 7 7 CYS H H 7 8.680 7.773 0.907 1
1 182 . 8 2 2 B 7 7 CYS HA H 7 4.910 4.204 0.706 1
1 185 . 8 2 2 B 8 8 GLY HA2 H 8 4.020 3.898 0.122 1
1 186 . 8 2 2 B 8 8 GLY HA3 H 8 3.880 3.901 -0.021 1
1 187 . 8 2 2 B 9 9 SER HA H 9 4.100 4.287 -0.187 1
1 190 . 8 2 2 B 10 10 ASP H H 10 8.080 8.448 -0.368 1
1 191 . 8 2 2 B 10 10 ASP HA H 10 4.460 4.604 -0.144 1
1 194 . 8 2 2 B 11 11 LEU H H 11 7.080 8.355 -1.275 1
1 195 . 8 2 2 B 11 11 LEU HA H 11 4.040 4.000 0.040 1
1 205 . 8 2 2 B 12 12 VAL H H 12 7.170 8.611 -1.441 1
1 206 . 8 2 2 B 12 12 VAL HA H 12 3.430 3.809 -0.379 1
1 214 . 8 2 2 B 13 13 GLU H H 13 8.050 8.296 -0.246 1
1 215 . 8 2 2 B 13 13 GLU HA H 13 4.090 4.204 -0.114 1
1 220 . 8 2 2 B 14 14 ALA H H 14 7.760 7.796 -0.036 1
1 221 . 8 2 2 B 14 14 ALA HA H 14 4.100 4.174 -0.074 1
1 225 . 8 2 2 B 15 15 LEU H H 15 8.050 7.948 0.102 1
1 226 . 8 2 2 B 15 15 LEU HA H 15 3.970 3.842 0.128 1
1 236 . 8 2 2 B 16 16 TYR H H 16 7.860 8.159 -0.299 1
1 237 . 8 2 2 B 16 16 TYR HA H 16 4.220 4.258 -0.038 1
1 244 . 8 2 2 B 17 17 LEU H H 17 7.790 7.593 0.197 1
1 245 . 8 2 2 B 17 17 LEU HA H 17 4.110 3.470 0.640 1
1 255 . 8 2 2 B 18 18 VAL H H 18 8.250 7.465 0.785 1
1 256 . 8 2 2 B 18 18 VAL HA H 18 3.860 3.944 -0.084 1
1 264 . 8 2 2 B 19 19 CYS H H 19 8.720 7.977 0.743 1
1 265 . 8 2 2 B 19 19 CYS HA H 19 4.770 4.377 0.393 1
1 268 . 8 2 2 B 20 20 GLY H H 20 7.930 8.823 -0.893 1
1 269 . 8 2 2 B 20 20 GLY HA2 H 20 3.960 3.839 0.121 1
1 270 . 8 2 2 B 20 20 GLY HA3 H 20 3.740 4.052 -0.312 1
1 271 . 8 2 2 B 21 21 GLU H H 21 8.340 8.149 0.191 1
1 272 . 8 2 2 B 21 21 GLU HA H 21 4.220 4.551 -0.331 1
1 277 . 8 2 2 B 22 22 ARG H H 22 8.060 7.962 0.098 1
1 278 . 8 2 2 B 22 22 ARG HA H 22 4.300 4.413 -0.113 1
1 301 . 8 2 2 B 26 26 TYR H H 26 7.980 8.092 -0.112 1
1 302 . 8 2 2 B 26 26 TYR HA H 26 4.610 4.123 0.487 1
1 309 . 8 2 2 B 27 27 THR H H 27 7.840 8.026 -0.186 1
1 310 . 8 2 2 B 27 27 THR HA H 27 4.310 4.582 -0.272 1
1 315 . 8 2 2 B 28 28 LYS H H 28 8.160 8.365 -0.205 1
1 316 . 8 2 2 B 28 28 LYS HA H 28 4.480 4.492 -0.012 1
1 325 . 8 2 2 B 29 29 PRO HA H 29 4.400 4.723 -0.323 1
1 1 . 9 1 1 A 2 2 ILE HA H 2 3.940 4.182 -0.242 1
1 11 . 9 1 1 A 3 3 VAL H H 3 8.180 8.123 0.057 1
1 12 . 9 1 1 A 3 3 VAL HA H 3 3.620 3.883 -0.263 1
1 20 . 9 1 1 A 4 4 GLU HA H 4 4.170 4.130 0.040 1
1 25 . 9 1 1 A 5 5 GLN H H 5 8.180 8.295 -0.115 1
1 26 . 9 1 1 A 5 5 GLN HA H 5 4.140 4.445 -0.305 1
1 33 . 9 1 1 A 6 6 CYS H H 6 8.250 8.998 -0.748 1
1 34 . 9 1 1 A 6 6 CYS HA H 6 5.070 5.049 0.021 1
1 37 . 9 1 1 A 7 7 CYS H H 7 8.270 9.071 -0.801 1
1 38 . 9 1 1 A 7 7 CYS HA H 7 4.860 4.767 0.093 1
1 41 . 9 1 1 A 8 8 THR HA H 8 4.180 4.600 -0.420 1
1 46 . 9 1 1 A 9 9 SER H H 9 8.210 8.352 -0.142 1
1 47 . 9 1 1 A 9 9 SER HA H 9 4.650 4.787 -0.137 1
1 50 . 9 1 1 A 10 10 ILE HA H 10 4.280 4.647 -0.367 1
1 59 . 9 1 1 A 11 11 CYS HA H 11 4.920 4.985 -0.065 1
1 62 . 9 1 1 A 12 12 SER H H 12 8.200 8.551 -0.351 1
1 63 . 9 1 1 A 12 12 SER HA H 12 4.660 4.691 -0.031 1
1 66 . 9 1 1 A 13 13 LEU H H 13 8.220 8.569 -0.349 1
1 67 . 9 1 1 A 13 13 LEU HA H 13 3.970 3.931 0.039 1
1 77 . 9 1 1 A 14 14 TYR H H 14 7.650 7.723 -0.073 1
1 78 . 9 1 1 A 14 14 TYR HA H 14 4.400 4.339 0.061 1
1 85 . 9 1 1 A 15 15 GLN H H 15 7.530 7.296 0.234 1
1 86 . 9 1 1 A 15 15 GLN HA H 15 4.030 3.699 0.331 1
1 93 . 9 1 1 A 16 16 LEU H H 16 7.860 7.289 0.571 1
1 94 . 9 1 1 A 16 16 LEU HA H 16 4.190 3.466 0.724 1
1 104 . 9 1 1 A 17 17 GLU H H 17 8.020 8.131 -0.111 1
1 105 . 9 1 1 A 17 17 GLU HA H 17 4.120 4.098 0.022 1
1 110 . 9 1 1 A 18 18 ASN H H 18 7.470 7.873 -0.403 1
1 111 . 9 1 1 A 18 18 ASN HA H 18 4.500 4.565 -0.065 1
1 116 . 9 1 1 A 19 19 TYR H H 19 7.940 7.209 0.731 1
1 117 . 9 1 1 A 19 19 TYR HA H 19 4.570 4.272 0.298 1
1 124 . 9 1 1 A 20 20 CYS H H 20 7.520 7.958 -0.438 1
1 125 . 9 1 1 A 20 20 CYS HA H 20 4.730 4.553 0.177 1
1 142 . 9 2 2 B 2 2 VAL H H 2 8.340 7.389 0.951 1
1 143 . 9 2 2 B 2 2 VAL HA H 2 4.050 4.355 -0.305 1
1 151 . 9 2 2 B 3 3 ASN H H 3 8.480 8.775 -0.295 1
1 152 . 9 2 2 B 3 3 ASN HA H 3 4.600 4.792 -0.192 1
1 157 . 9 2 2 B 4 4 GLN HA H 4 4.500 4.753 -0.253 1
1 164 . 9 2 2 B 5 5 HIS H H 5 8.440 8.975 -0.535 1
1 165 . 9 2 2 B 5 5 HIS HA H 5 4.470 4.865 -0.395 1
1 170 . 9 2 2 B 6 6 LEU H H 6 8.840 8.475 0.365 1
1 171 . 9 2 2 B 6 6 LEU HA H 6 4.560 4.549 0.011 1
1 181 . 9 2 2 B 7 7 CYS H H 7 8.680 7.768 0.912 1
1 182 . 9 2 2 B 7 7 CYS HA H 7 4.910 4.171 0.739 1
1 185 . 9 2 2 B 8 8 GLY HA2 H 8 4.020 3.901 0.119 1
1 186 . 9 2 2 B 8 8 GLY HA3 H 8 3.880 3.904 -0.024 1
1 187 . 9 2 2 B 9 9 SER HA H 9 4.100 4.240 -0.140 1
1 190 . 9 2 2 B 10 10 ASP H H 10 8.080 8.175 -0.095 1
1 191 . 9 2 2 B 10 10 ASP HA H 10 4.460 4.513 -0.053 1
1 194 . 9 2 2 B 11 11 LEU H H 11 7.080 8.318 -1.238 1
1 195 . 9 2 2 B 11 11 LEU HA H 11 4.040 3.983 0.057 1
1 205 . 9 2 2 B 12 12 VAL H H 12 7.170 8.300 -1.130 1
1 206 . 9 2 2 B 12 12 VAL HA H 12 3.430 3.957 -0.527 1
1 214 . 9 2 2 B 13 13 GLU H H 13 8.050 7.572 0.478 1
1 215 . 9 2 2 B 13 13 GLU HA H 13 4.090 3.935 0.155 1
1 220 . 9 2 2 B 14 14 ALA H H 14 7.760 8.010 -0.250 1
1 221 . 9 2 2 B 14 14 ALA HA H 14 4.100 4.082 0.018 1
1 225 . 9 2 2 B 15 15 LEU H H 15 8.050 7.839 0.211 1
1 226 . 9 2 2 B 15 15 LEU HA H 15 3.970 4.003 -0.033 1
1 236 . 9 2 2 B 16 16 TYR H H 16 7.860 8.317 -0.457 1
1 237 . 9 2 2 B 16 16 TYR HA H 16 4.220 4.346 -0.126 1
1 244 . 9 2 2 B 17 17 LEU H H 17 7.790 7.457 0.333 1
1 245 . 9 2 2 B 17 17 LEU HA H 17 4.110 3.515 0.595 1
1 255 . 9 2 2 B 18 18 VAL H H 18 8.250 7.659 0.591 1
1 256 . 9 2 2 B 18 18 VAL HA H 18 3.860 3.960 -0.100 1
1 264 . 9 2 2 B 19 19 CYS H H 19 8.720 8.204 0.516 1
1 265 . 9 2 2 B 19 19 CYS HA H 19 4.770 4.865 -0.095 1
1 268 . 9 2 2 B 20 20 GLY H H 20 7.930 8.898 -0.968 1
1 269 . 9 2 2 B 20 20 GLY HA2 H 20 3.960 4.116 -0.156 1
1 270 . 9 2 2 B 20 20 GLY HA3 H 20 3.740 4.309 -0.569 1
1 271 . 9 2 2 B 21 21 GLU H H 21 8.340 7.816 0.524 1
1 272 . 9 2 2 B 21 21 GLU HA H 21 4.220 4.410 -0.190 1
1 277 . 9 2 2 B 22 22 ARG H H 22 8.060 8.244 -0.184 1
1 278 . 9 2 2 B 22 22 ARG HA H 22 4.300 4.062 0.238 1
1 301 . 9 2 2 B 26 26 TYR H H 26 7.980 7.781 0.199 1
1 302 . 9 2 2 B 26 26 TYR HA H 26 4.610 4.360 0.250 1
1 309 . 9 2 2 B 27 27 THR H H 27 7.840 8.144 -0.304 1
1 310 . 9 2 2 B 27 27 THR HA H 27 4.310 4.438 -0.128 1
1 315 . 9 2 2 B 28 28 LYS H H 28 8.160 7.823 0.337 1
1 316 . 9 2 2 B 28 28 LYS HA H 28 4.480 3.938 0.542 1
1 325 . 9 2 2 B 29 29 PRO HA H 29 4.400 4.399 0.001 1
1 1 . 10 1 1 A 2 2 ILE HA H 2 3.940 3.706 0.234 1
1 11 . 10 1 1 A 3 3 VAL H H 3 8.180 8.096 0.084 1
1 12 . 10 1 1 A 3 3 VAL HA H 3 3.620 3.804 -0.184 1
1 20 . 10 1 1 A 4 4 GLU HA H 4 4.170 3.976 0.194 1
1 25 . 10 1 1 A 5 5 GLN H H 5 8.180 8.509 -0.329 1
1 26 . 10 1 1 A 5 5 GLN HA H 5 4.140 4.114 0.026 1
1 33 . 10 1 1 A 6 6 CYS H H 6 8.250 8.379 -0.129 1
1 34 . 10 1 1 A 6 6 CYS HA H 6 5.070 4.657 0.413 1
1 37 . 10 1 1 A 7 7 CYS H H 7 8.270 8.172 0.098 1
1 38 . 10 1 1 A 7 7 CYS HA H 7 4.860 4.762 0.098 1
1 41 . 10 1 1 A 8 8 THR HA H 8 4.180 4.447 -0.267 1
1 46 . 10 1 1 A 9 9 SER H H 9 8.210 7.736 0.474 1
1 47 . 10 1 1 A 9 9 SER HA H 9 4.650 4.780 -0.130 1
1 50 . 10 1 1 A 10 10 ILE HA H 10 4.280 4.776 -0.496 1
1 59 . 10 1 1 A 11 11 CYS HA H 11 4.920 5.475 -0.555 1
1 62 . 10 1 1 A 12 12 SER H H 12 8.200 8.554 -0.354 1
1 63 . 10 1 1 A 12 12 SER HA H 12 4.660 5.007 -0.347 1
1 66 . 10 1 1 A 13 13 LEU H H 13 8.220 8.667 -0.447 1
1 67 . 10 1 1 A 13 13 LEU HA H 13 3.970 4.070 -0.100 1
1 77 . 10 1 1 A 14 14 TYR H H 14 7.650 7.795 -0.145 1
1 78 . 10 1 1 A 14 14 TYR HA H 14 4.400 4.315 0.085 1
1 85 . 10 1 1 A 15 15 GLN H H 15 7.530 7.543 -0.013 1
1 86 . 10 1 1 A 15 15 GLN HA H 15 4.030 3.667 0.363 1
1 93 . 10 1 1 A 16 16 LEU H H 16 7.860 7.092 0.768 1
1 94 . 10 1 1 A 16 16 LEU HA H 16 4.190 3.839 0.351 1
1 104 . 10 1 1 A 17 17 GLU H H 17 8.020 8.066 -0.046 1
1 105 . 10 1 1 A 17 17 GLU HA H 17 4.120 3.977 0.143 1
1 110 . 10 1 1 A 18 18 ASN H H 18 7.470 7.793 -0.323 1
1 111 . 10 1 1 A 18 18 ASN HA H 18 4.500 4.587 -0.087 1
1 116 . 10 1 1 A 19 19 TYR H H 19 7.940 7.240 0.700 1
1 117 . 10 1 1 A 19 19 TYR HA H 19 4.570 4.259 0.311 1
1 124 . 10 1 1 A 20 20 CYS H H 20 7.520 7.715 -0.195 1
1 125 . 10 1 1 A 20 20 CYS HA H 20 4.730 4.502 0.228 1
1 142 . 10 2 2 B 2 2 VAL H H 2 8.340 8.235 0.105 1
1 143 . 10 2 2 B 2 2 VAL HA H 2 4.050 4.460 -0.410 1
1 151 . 10 2 2 B 3 3 ASN H H 3 8.480 8.036 0.444 1
1 152 . 10 2 2 B 3 3 ASN HA H 3 4.600 4.905 -0.305 1
1 157 . 10 2 2 B 4 4 GLN HA H 4 4.500 4.717 -0.217 1
1 164 . 10 2 2 B 5 5 HIS H H 5 8.440 8.598 -0.158 1
1 165 . 10 2 2 B 5 5 HIS HA H 5 4.470 4.648 -0.178 1
1 170 . 10 2 2 B 6 6 LEU H H 6 8.840 8.578 0.262 1
1 171 . 10 2 2 B 6 6 LEU HA H 6 4.560 4.495 0.065 1
1 181 . 10 2 2 B 7 7 CYS H H 7 8.680 7.952 0.728 1
1 182 . 10 2 2 B 7 7 CYS HA H 7 4.910 4.297 0.613 1
1 185 . 10 2 2 B 8 8 GLY HA2 H 8 4.020 3.930 0.090 1
1 186 . 10 2 2 B 8 8 GLY HA3 H 8 3.880 3.939 -0.059 1
1 187 . 10 2 2 B 9 9 SER HA H 9 4.100 4.201 -0.101 1
1 190 . 10 2 2 B 10 10 ASP H H 10 8.080 7.731 0.349 1
1 191 . 10 2 2 B 10 10 ASP HA H 10 4.460 4.497 -0.037 1
1 194 . 10 2 2 B 11 11 LEU H H 11 7.080 8.187 -1.107 1
1 195 . 10 2 2 B 11 11 LEU HA H 11 4.040 4.010 0.030 1
1 205 . 10 2 2 B 12 12 VAL H H 12 7.170 8.370 -1.200 1
1 206 . 10 2 2 B 12 12 VAL HA H 12 3.430 3.570 -0.140 1
1 214 . 10 2 2 B 13 13 GLU H H 13 8.050 8.080 -0.030 1
1 215 . 10 2 2 B 13 13 GLU HA H 13 4.090 4.013 0.077 1
1 220 . 10 2 2 B 14 14 ALA H H 14 7.760 7.754 0.006 1
1 221 . 10 2 2 B 14 14 ALA HA H 14 4.100 4.110 -0.010 1
1 225 . 10 2 2 B 15 15 LEU H H 15 8.050 8.287 -0.237 1
1 226 . 10 2 2 B 15 15 LEU HA H 15 3.970 3.927 0.043 1
1 236 . 10 2 2 B 16 16 TYR H H 16 7.860 8.084 -0.224 1
1 237 . 10 2 2 B 16 16 TYR HA H 16 4.220 4.104 0.116 1
1 244 . 10 2 2 B 17 17 LEU H H 17 7.790 7.581 0.209 1
1 245 . 10 2 2 B 17 17 LEU HA H 17 4.110 3.481 0.629 1
1 255 . 10 2 2 B 18 18 VAL H H 18 8.250 7.363 0.887 1
1 256 . 10 2 2 B 18 18 VAL HA H 18 3.860 3.770 0.090 1
1 264 . 10 2 2 B 19 19 CYS H H 19 8.720 7.679 1.041 1
1 265 . 10 2 2 B 19 19 CYS HA H 19 4.770 4.228 0.542 1
1 268 . 10 2 2 B 20 20 GLY H H 20 7.930 8.251 -0.321 1
1 269 . 10 2 2 B 20 20 GLY HA2 H 20 3.960 3.832 0.128 1
1 270 . 10 2 2 B 20 20 GLY HA3 H 20 3.740 4.007 -0.267 1
1 271 . 10 2 2 B 21 21 GLU H H 21 8.340 8.368 -0.028 1
1 272 . 10 2 2 B 21 21 GLU HA H 21 4.220 4.690 -0.470 1
1 277 . 10 2 2 B 22 22 ARG H H 22 8.060 7.807 0.253 1
1 278 . 10 2 2 B 22 22 ARG HA H 22 4.300 4.238 0.062 1
1 301 . 10 2 2 B 26 26 TYR H H 26 7.980 8.051 -0.071 1
1 302 . 10 2 2 B 26 26 TYR HA H 26 4.610 4.247 0.363 1
1 309 . 10 2 2 B 27 27 THR H H 27 7.840 8.081 -0.241 1
1 310 . 10 2 2 B 27 27 THR HA H 27 4.310 4.457 -0.147 1
1 315 . 10 2 2 B 28 28 LYS H H 28 8.160 7.475 0.685 1
1 316 . 10 2 2 B 28 28 LYS HA H 28 4.480 4.529 -0.049 1
1 325 . 10 2 2 B 29 29 PRO HA H 29 4.400 4.589 -0.189 1
1 1 . 11 1 1 A 2 2 ILE HA H 2 3.940 3.796 0.144 1
1 11 . 11 1 1 A 3 3 VAL H H 3 8.180 8.120 0.060 1
1 12 . 11 1 1 A 3 3 VAL HA H 3 3.620 3.789 -0.169 1
1 20 . 11 1 1 A 4 4 GLU HA H 4 4.170 4.003 0.167 1
1 25 . 11 1 1 A 5 5 GLN H H 5 8.180 8.222 -0.042 1
1 26 . 11 1 1 A 5 5 GLN HA H 5 4.140 4.434 -0.294 1
1 33 . 11 1 1 A 6 6 CYS H H 6 8.250 8.829 -0.579 1
1 34 . 11 1 1 A 6 6 CYS HA H 6 5.070 4.644 0.426 1
1 37 . 11 1 1 A 7 7 CYS H H 7 8.270 8.238 0.032 1
1 38 . 11 1 1 A 7 7 CYS HA H 7 4.860 4.790 0.070 1
1 41 . 11 1 1 A 8 8 THR HA H 8 4.180 4.469 -0.289 1
1 46 . 11 1 1 A 9 9 SER H H 9 8.210 8.066 0.144 1
1 47 . 11 1 1 A 9 9 SER HA H 9 4.650 4.813 -0.163 1
1 50 . 11 1 1 A 10 10 ILE HA H 10 4.280 4.660 -0.380 1
1 59 . 11 1 1 A 11 11 CYS HA H 11 4.920 4.642 0.278 1
1 62 . 11 1 1 A 12 12 SER H H 12 8.200 8.428 -0.228 1
1 63 . 11 1 1 A 12 12 SER HA H 12 4.660 4.857 -0.197 1
1 66 . 11 1 1 A 13 13 LEU H H 13 8.220 8.591 -0.371 1
1 67 . 11 1 1 A 13 13 LEU HA H 13 3.970 4.023 -0.053 1
1 77 . 11 1 1 A 14 14 TYR H H 14 7.650 7.655 -0.005 1
1 78 . 11 1 1 A 14 14 TYR HA H 14 4.400 4.376 0.024 1
1 85 . 11 1 1 A 15 15 GLN H H 15 7.530 7.090 0.440 1
1 86 . 11 1 1 A 15 15 GLN HA H 15 4.030 3.751 0.279 1
1 93 . 11 1 1 A 16 16 LEU H H 16 7.860 7.221 0.639 1
1 94 . 11 1 1 A 16 16 LEU HA H 16 4.190 3.772 0.418 1
1 104 . 11 1 1 A 17 17 GLU H H 17 8.020 8.059 -0.039 1
1 105 . 11 1 1 A 17 17 GLU HA H 17 4.120 3.962 0.158 1
1 110 . 11 1 1 A 18 18 ASN H H 18 7.470 7.805 -0.335 1
1 111 . 11 1 1 A 18 18 ASN HA H 18 4.500 4.482 0.018 1
1 116 . 11 1 1 A 19 19 TYR H H 19 7.940 7.003 0.937 1
1 117 . 11 1 1 A 19 19 TYR HA H 19 4.570 4.435 0.135 1
1 124 . 11 1 1 A 20 20 CYS H H 20 7.520 7.375 0.145 1
1 125 . 11 1 1 A 20 20 CYS HA H 20 4.730 4.613 0.117 1
1 142 . 11 2 2 B 2 2 VAL H H 2 8.340 8.752 -0.412 1
1 143 . 11 2 2 B 2 2 VAL HA H 2 4.050 4.294 -0.244 1
1 151 . 11 2 2 B 3 3 ASN H H 3 8.480 8.196 0.284 1
1 152 . 11 2 2 B 3 3 ASN HA H 3 4.600 4.857 -0.257 1
1 157 . 11 2 2 B 4 4 GLN HA H 4 4.500 4.689 -0.189 1
1 164 . 11 2 2 B 5 5 HIS H H 5 8.440 8.772 -0.332 1
1 165 . 11 2 2 B 5 5 HIS HA H 5 4.470 4.794 -0.324 1
1 170 . 11 2 2 B 6 6 LEU H H 6 8.840 8.471 0.369 1
1 171 . 11 2 2 B 6 6 LEU HA H 6 4.560 4.551 0.009 1
1 181 . 11 2 2 B 7 7 CYS H H 7 8.680 7.640 1.040 1
1 182 . 11 2 2 B 7 7 CYS HA H 7 4.910 4.227 0.683 1
1 185 . 11 2 2 B 8 8 GLY HA2 H 8 4.020 3.912 0.108 1
1 186 . 11 2 2 B 8 8 GLY HA3 H 8 3.880 3.921 -0.041 1
1 187 . 11 2 2 B 9 9 SER HA H 9 4.100 4.109 -0.009 1
1 190 . 11 2 2 B 10 10 ASP H H 10 8.080 8.230 -0.150 1
1 191 . 11 2 2 B 10 10 ASP HA H 10 4.460 4.604 -0.144 1
1 194 . 11 2 2 B 11 11 LEU H H 11 7.080 8.363 -1.283 1
1 195 . 11 2 2 B 11 11 LEU HA H 11 4.040 4.034 0.006 1
1 205 . 11 2 2 B 12 12 VAL H H 12 7.170 8.490 -1.320 1
1 206 . 11 2 2 B 12 12 VAL HA H 12 3.430 4.032 -0.602 1
1 214 . 11 2 2 B 13 13 GLU H H 13 8.050 8.117 -0.067 1
1 215 . 11 2 2 B 13 13 GLU HA H 13 4.090 4.252 -0.162 1
1 220 . 11 2 2 B 14 14 ALA H H 14 7.760 7.982 -0.222 1
1 221 . 11 2 2 B 14 14 ALA HA H 14 4.100 4.108 -0.008 1
1 225 . 11 2 2 B 15 15 LEU H H 15 8.050 7.963 0.087 1
1 226 . 11 2 2 B 15 15 LEU HA H 15 3.970 3.986 -0.016 1
1 236 . 11 2 2 B 16 16 TYR H H 16 7.860 8.567 -0.707 1
1 237 . 11 2 2 B 16 16 TYR HA H 16 4.220 4.136 0.084 1
1 244 . 11 2 2 B 17 17 LEU H H 17 7.790 7.496 0.294 1
1 245 . 11 2 2 B 17 17 LEU HA H 17 4.110 3.411 0.699 1
1 255 . 11 2 2 B 18 18 VAL H H 18 8.250 7.458 0.792 1
1 256 . 11 2 2 B 18 18 VAL HA H 18 3.860 3.659 0.201 1
1 264 . 11 2 2 B 19 19 CYS H H 19 8.720 7.565 1.155 1
1 265 . 11 2 2 B 19 19 CYS HA H 19 4.770 4.405 0.365 1
1 268 . 11 2 2 B 20 20 GLY H H 20 7.930 8.744 -0.814 1
1 269 . 11 2 2 B 20 20 GLY HA2 H 20 3.960 3.650 0.310 1
1 270 . 11 2 2 B 20 20 GLY HA3 H 20 3.740 3.738 0.002 1
1 271 . 11 2 2 B 21 21 GLU H H 21 8.340 8.618 -0.278 1
1 272 . 11 2 2 B 21 21 GLU HA H 21 4.220 4.614 -0.394 1
1 277 . 11 2 2 B 22 22 ARG H H 22 8.060 7.493 0.567 1
1 278 . 11 2 2 B 22 22 ARG HA H 22 4.300 4.161 0.139 1
1 301 . 11 2 2 B 26 26 TYR H H 26 7.980 7.666 0.314 1
1 302 . 11 2 2 B 26 26 TYR HA H 26 4.610 4.364 0.246 1
1 309 . 11 2 2 B 27 27 THR H H 27 7.840 8.163 -0.323 1
1 310 . 11 2 2 B 27 27 THR HA H 27 4.310 4.572 -0.262 1
1 315 . 11 2 2 B 28 28 LYS H H 28 8.160 8.384 -0.224 1
1 316 . 11 2 2 B 28 28 LYS HA H 28 4.480 4.819 -0.339 1
1 325 . 11 2 2 B 29 29 PRO HA H 29 4.400 4.680 -0.280 1
1 1 . 12 1 1 A 2 2 ILE HA H 2 3.940 3.672 0.268 1
1 11 . 12 1 1 A 3 3 VAL H H 3 8.180 8.158 0.022 1
1 12 . 12 1 1 A 3 3 VAL HA H 3 3.620 3.897 -0.277 1
1 20 . 12 1 1 A 4 4 GLU HA H 4 4.170 3.985 0.185 1
1 25 . 12 1 1 A 5 5 GLN H H 5 8.180 8.183 -0.003 1
1 26 . 12 1 1 A 5 5 GLN HA H 5 4.140 4.389 -0.249 1
1 33 . 12 1 1 A 6 6 CYS H H 6 8.250 8.311 -0.061 1
1 34 . 12 1 1 A 6 6 CYS HA H 6 5.070 4.510 0.560 1
1 37 . 12 1 1 A 7 7 CYS H H 7 8.270 8.909 -0.639 1
1 38 . 12 1 1 A 7 7 CYS HA H 7 4.860 4.797 0.063 1
1 41 . 12 1 1 A 8 8 THR HA H 8 4.180 4.136 0.044 1
1 46 . 12 1 1 A 9 9 SER H H 9 8.210 8.068 0.142 1
1 47 . 12 1 1 A 9 9 SER HA H 9 4.650 4.661 -0.011 1
1 50 . 12 1 1 A 10 10 ILE HA H 10 4.280 4.660 -0.380 1
1 59 . 12 1 1 A 11 11 CYS HA H 11 4.920 5.261 -0.341 1
1 62 . 12 1 1 A 12 12 SER H H 12 8.200 8.360 -0.160 1
1 63 . 12 1 1 A 12 12 SER HA H 12 4.660 5.007 -0.347 1
1 66 . 12 1 1 A 13 13 LEU H H 13 8.220 8.586 -0.366 1
1 67 . 12 1 1 A 13 13 LEU HA H 13 3.970 4.018 -0.048 1
1 77 . 12 1 1 A 14 14 TYR H H 14 7.650 7.890 -0.240 1
1 78 . 12 1 1 A 14 14 TYR HA H 14 4.400 4.732 -0.332 1
1 85 . 12 1 1 A 15 15 GLN H H 15 7.530 7.539 -0.009 1
1 86 . 12 1 1 A 15 15 GLN HA H 15 4.030 3.538 0.492 1
1 93 . 12 1 1 A 16 16 LEU H H 16 7.860 7.181 0.679 1
1 94 . 12 1 1 A 16 16 LEU HA H 16 4.190 3.713 0.477 1
1 104 . 12 1 1 A 17 17 GLU H H 17 8.020 7.716 0.304 1
1 105 . 12 1 1 A 17 17 GLU HA H 17 4.120 3.996 0.124 1
1 110 . 12 1 1 A 18 18 ASN H H 18 7.470 7.542 -0.072 1
1 111 . 12 1 1 A 18 18 ASN HA H 18 4.500 4.600 -0.100 1
1 116 . 12 1 1 A 19 19 TYR H H 19 7.940 7.064 0.876 1
1 117 . 12 1 1 A 19 19 TYR HA H 19 4.570 4.358 0.212 1
1 124 . 12 1 1 A 20 20 CYS H H 20 7.520 7.654 -0.134 1
1 125 . 12 1 1 A 20 20 CYS HA H 20 4.730 4.588 0.142 1
1 142 . 12 2 2 B 2 2 VAL H H 2 8.340 8.579 -0.239 1
1 143 . 12 2 2 B 2 2 VAL HA H 2 4.050 4.648 -0.598 1
1 151 . 12 2 2 B 3 3 ASN H H 3 8.480 8.982 -0.502 1
1 152 . 12 2 2 B 3 3 ASN HA H 3 4.600 4.849 -0.249 1
1 157 . 12 2 2 B 4 4 GLN HA H 4 4.500 4.625 -0.125 1
1 164 . 12 2 2 B 5 5 HIS H H 5 8.440 8.738 -0.298 1
1 165 . 12 2 2 B 5 5 HIS HA H 5 4.470 4.659 -0.189 1
1 170 . 12 2 2 B 6 6 LEU H H 6 8.840 8.483 0.357 1
1 171 . 12 2 2 B 6 6 LEU HA H 6 4.560 4.503 0.057 1
1 181 . 12 2 2 B 7 7 CYS H H 7 8.680 7.836 0.844 1
1 182 . 12 2 2 B 7 7 CYS HA H 7 4.910 4.256 0.654 1
1 185 . 12 2 2 B 8 8 GLY HA2 H 8 4.020 3.829 0.191 1
1 186 . 12 2 2 B 8 8 GLY HA3 H 8 3.880 3.844 0.036 1
1 187 . 12 2 2 B 9 9 SER HA H 9 4.100 4.099 0.001 1
1 190 . 12 2 2 B 10 10 ASP H H 10 8.080 7.494 0.586 1
1 191 . 12 2 2 B 10 10 ASP HA H 10 4.460 4.668 -0.208 1
1 194 . 12 2 2 B 11 11 LEU H H 11 7.080 8.628 -1.548 1
1 195 . 12 2 2 B 11 11 LEU HA H 11 4.040 4.885 -0.845 1
1 205 . 12 2 2 B 12 12 VAL H H 12 7.170 8.299 -1.129 1
1 206 . 12 2 2 B 12 12 VAL HA H 12 3.430 4.087 -0.657 1
1 214 . 12 2 2 B 13 13 GLU H H 13 8.050 8.313 -0.263 1
1 215 . 12 2 2 B 13 13 GLU HA H 13 4.090 4.039 0.051 1
1 220 . 12 2 2 B 14 14 ALA H H 14 7.760 7.423 0.337 1
1 221 . 12 2 2 B 14 14 ALA HA H 14 4.100 3.746 0.354 1
1 225 . 12 2 2 B 15 15 LEU H H 15 8.050 8.043 0.007 1
1 226 . 12 2 2 B 15 15 LEU HA H 15 3.970 3.959 0.011 1
1 236 . 12 2 2 B 16 16 TYR H H 16 7.860 7.671 0.189 1
1 237 . 12 2 2 B 16 16 TYR HA H 16 4.220 4.197 0.023 1
1 244 . 12 2 2 B 17 17 LEU H H 17 7.790 7.758 0.032 1
1 245 . 12 2 2 B 17 17 LEU HA H 17 4.110 3.594 0.516 1
1 255 . 12 2 2 B 18 18 VAL H H 18 8.250 8.023 0.227 1
1 256 . 12 2 2 B 18 18 VAL HA H 18 3.860 3.774 0.086 1
1 264 . 12 2 2 B 19 19 CYS H H 19 8.720 7.479 1.241 1
1 265 . 12 2 2 B 19 19 CYS HA H 19 4.770 4.388 0.382 1
1 268 . 12 2 2 B 20 20 GLY H H 20 7.930 7.770 0.160 1
1 269 . 12 2 2 B 20 20 GLY HA2 H 20 3.960 3.717 0.243 1
1 270 . 12 2 2 B 20 20 GLY HA3 H 20 3.740 3.824 -0.084 1
1 271 . 12 2 2 B 21 21 GLU H H 21 8.340 7.408 0.932 1
1 272 . 12 2 2 B 21 21 GLU HA H 21 4.220 4.231 -0.011 1
1 277 . 12 2 2 B 22 22 ARG H H 22 8.060 8.015 0.045 1
1 278 . 12 2 2 B 22 22 ARG HA H 22 4.300 3.982 0.318 1
1 301 . 12 2 2 B 26 26 TYR H H 26 7.980 8.202 -0.222 1
1 302 . 12 2 2 B 26 26 TYR HA H 26 4.610 4.285 0.325 1
1 309 . 12 2 2 B 27 27 THR H H 27 7.840 8.121 -0.281 1
1 310 . 12 2 2 B 27 27 THR HA H 27 4.310 4.938 -0.628 1
1 315 . 12 2 2 B 28 28 LYS H H 28 8.160 8.663 -0.503 1
1 316 . 12 2 2 B 28 28 LYS HA H 28 4.480 4.613 -0.133 1
1 325 . 12 2 2 B 29 29 PRO HA H 29 4.400 4.591 -0.191 1
1 1 . 13 1 1 A 2 2 ILE HA H 2 3.940 3.866 0.074 1
1 11 . 13 1 1 A 3 3 VAL H H 3 8.180 8.189 -0.009 1
1 12 . 13 1 1 A 3 3 VAL HA H 3 3.620 3.862 -0.242 1
1 20 . 13 1 1 A 4 4 GLU HA H 4 4.170 3.999 0.171 1
1 25 . 13 1 1 A 5 5 GLN H H 5 8.180 8.147 0.033 1
1 26 . 13 1 1 A 5 5 GLN HA H 5 4.140 4.449 -0.309 1
1 33 . 13 1 1 A 6 6 CYS H H 6 8.250 8.333 -0.083 1
1 34 . 13 1 1 A 6 6 CYS HA H 6 5.070 4.643 0.427 1
1 37 . 13 1 1 A 7 7 CYS H H 7 8.270 8.045 0.225 1
1 38 . 13 1 1 A 7 7 CYS HA H 7 4.860 4.776 0.084 1
1 41 . 13 1 1 A 8 8 THR HA H 8 4.180 4.422 -0.242 1
1 46 . 13 1 1 A 9 9 SER H H 9 8.210 8.129 0.081 1
1 47 . 13 1 1 A 9 9 SER HA H 9 4.650 4.818 -0.168 1
1 50 . 13 1 1 A 10 10 ILE HA H 10 4.280 4.831 -0.551 1
1 59 . 13 1 1 A 11 11 CYS HA H 11 4.920 5.261 -0.341 1
1 62 . 13 1 1 A 12 12 SER H H 12 8.200 8.454 -0.254 1
1 63 . 13 1 1 A 12 12 SER HA H 12 4.660 4.979 -0.319 1
1 66 . 13 1 1 A 13 13 LEU H H 13 8.220 8.586 -0.366 1
1 67 . 13 1 1 A 13 13 LEU HA H 13 3.970 4.015 -0.045 1
1 77 . 13 1 1 A 14 14 TYR H H 14 7.650 7.735 -0.085 1
1 78 . 13 1 1 A 14 14 TYR HA H 14 4.400 4.324 0.076 1
1 85 . 13 1 1 A 15 15 GLN H H 15 7.530 7.269 0.261 1
1 86 . 13 1 1 A 15 15 GLN HA H 15 4.030 3.740 0.290 1
1 93 . 13 1 1 A 16 16 LEU H H 16 7.860 7.241 0.619 1
1 94 . 13 1 1 A 16 16 LEU HA H 16 4.190 3.765 0.425 1
1 104 . 13 1 1 A 17 17 GLU H H 17 8.020 7.726 0.294 1
1 105 . 13 1 1 A 17 17 GLU HA H 17 4.120 3.986 0.134 1
1 110 . 13 1 1 A 18 18 ASN H H 18 7.470 7.632 -0.162 1
1 111 . 13 1 1 A 18 18 ASN HA H 18 4.500 4.585 -0.085 1
1 116 . 13 1 1 A 19 19 TYR H H 19 7.940 7.148 0.792 1
1 117 . 13 1 1 A 19 19 TYR HA H 19 4.570 4.317 0.253 1
1 124 . 13 1 1 A 20 20 CYS H H 20 7.520 7.994 -0.474 1
1 125 . 13 1 1 A 20 20 CYS HA H 20 4.730 4.331 0.399 1
1 142 . 13 2 2 B 2 2 VAL H H 2 8.340 8.792 -0.452 1
1 143 . 13 2 2 B 2 2 VAL HA H 2 4.050 4.804 -0.754 1
1 151 . 13 2 2 B 3 3 ASN H H 3 8.480 8.453 0.027 1
1 152 . 13 2 2 B 3 3 ASN HA H 3 4.600 4.812 -0.212 1
1 157 . 13 2 2 B 4 4 GLN HA H 4 4.500 4.825 -0.325 1
1 164 . 13 2 2 B 5 5 HIS H H 5 8.440 9.024 -0.584 1
1 165 . 13 2 2 B 5 5 HIS HA H 5 4.470 4.880 -0.410 1
1 170 . 13 2 2 B 6 6 LEU H H 6 8.840 8.566 0.274 1
1 171 . 13 2 2 B 6 6 LEU HA H 6 4.560 4.520 0.040 1
1 181 . 13 2 2 B 7 7 CYS H H 7 8.680 7.937 0.743 1
1 182 . 13 2 2 B 7 7 CYS HA H 7 4.910 4.311 0.599 1
1 185 . 13 2 2 B 8 8 GLY HA2 H 8 4.020 3.892 0.128 1
1 186 . 13 2 2 B 8 8 GLY HA3 H 8 3.880 3.895 -0.015 1
1 187 . 13 2 2 B 9 9 SER HA H 9 4.100 4.195 -0.095 1
1 190 . 13 2 2 B 10 10 ASP H H 10 8.080 7.487 0.593 1
1 191 . 13 2 2 B 10 10 ASP HA H 10 4.460 4.579 -0.119 1
1 194 . 13 2 2 B 11 11 LEU H H 11 7.080 8.566 -1.486 1
1 195 . 13 2 2 B 11 11 LEU HA H 11 4.040 4.147 -0.107 1
1 205 . 13 2 2 B 12 12 VAL H H 12 7.170 7.953 -0.783 1
1 206 . 13 2 2 B 12 12 VAL HA H 12 3.430 4.022 -0.592 1
1 214 . 13 2 2 B 13 13 GLU H H 13 8.050 7.660 0.390 1
1 215 . 13 2 2 B 13 13 GLU HA H 13 4.090 4.192 -0.102 1
1 220 . 13 2 2 B 14 14 ALA H H 14 7.760 7.811 -0.051 1
1 221 . 13 2 2 B 14 14 ALA HA H 14 4.100 4.147 -0.047 1
1 225 . 13 2 2 B 15 15 LEU H H 15 8.050 7.710 0.340 1
1 226 . 13 2 2 B 15 15 LEU HA H 15 3.970 4.043 -0.073 1
1 236 . 13 2 2 B 16 16 TYR H H 16 7.860 8.257 -0.397 1
1 237 . 13 2 2 B 16 16 TYR HA H 16 4.220 4.213 0.007 1
1 244 . 13 2 2 B 17 17 LEU H H 17 7.790 7.544 0.246 1
1 245 . 13 2 2 B 17 17 LEU HA H 17 4.110 3.425 0.685 1
1 255 . 13 2 2 B 18 18 VAL H H 18 8.250 7.822 0.428 1
1 256 . 13 2 2 B 18 18 VAL HA H 18 3.860 3.645 0.215 1
1 264 . 13 2 2 B 19 19 CYS H H 19 8.720 7.787 0.933 1
1 265 . 13 2 2 B 19 19 CYS HA H 19 4.770 4.730 0.040 1
1 268 . 13 2 2 B 20 20 GLY H H 20 7.930 8.367 -0.437 1
1 269 . 13 2 2 B 20 20 GLY HA2 H 20 3.960 3.794 0.166 1
1 270 . 13 2 2 B 20 20 GLY HA3 H 20 3.740 3.888 -0.148 1
1 271 . 13 2 2 B 21 21 GLU H H 21 8.340 8.023 0.317 1
1 272 . 13 2 2 B 21 21 GLU HA H 21 4.220 4.574 -0.354 1
1 277 . 13 2 2 B 22 22 ARG H H 22 8.060 8.203 -0.143 1
1 278 . 13 2 2 B 22 22 ARG HA H 22 4.300 4.541 -0.241 1
1 301 . 13 2 2 B 26 26 TYR H H 26 7.980 6.893 1.087 1
1 302 . 13 2 2 B 26 26 TYR HA H 26 4.610 4.618 -0.008 1
1 309 . 13 2 2 B 27 27 THR H H 27 7.840 8.270 -0.430 1
1 310 . 13 2 2 B 27 27 THR HA H 27 4.310 4.310 0.000 1
1 315 . 13 2 2 B 28 28 LYS H H 28 8.160 7.905 0.255 1
1 316 . 13 2 2 B 28 28 LYS HA H 28 4.480 3.933 0.547 1
1 325 . 13 2 2 B 29 29 PRO HA H 29 4.400 4.708 -0.308 1
1 1 . 14 1 1 A 2 2 ILE HA H 2 3.940 3.924 0.016 1
1 11 . 14 1 1 A 3 3 VAL H H 3 8.180 7.758 0.422 1
1 12 . 14 1 1 A 3 3 VAL HA H 3 3.620 3.523 0.097 1
1 20 . 14 1 1 A 4 4 GLU HA H 4 4.170 4.010 0.160 1
1 25 . 14 1 1 A 5 5 GLN H H 5 8.180 8.109 0.071 1
1 26 . 14 1 1 A 5 5 GLN HA H 5 4.140 4.444 -0.304 1
1 33 . 14 1 1 A 6 6 CYS H H 6 8.250 9.035 -0.785 1
1 34 . 14 1 1 A 6 6 CYS HA H 6 5.070 4.540 0.530 1
1 37 . 14 1 1 A 7 7 CYS H H 7 8.270 8.755 -0.485 1
1 38 . 14 1 1 A 7 7 CYS HA H 7 4.860 4.750 0.110 1
1 41 . 14 1 1 A 8 8 THR HA H 8 4.180 4.517 -0.337 1
1 46 . 14 1 1 A 9 9 SER H H 9 8.210 8.176 0.034 1
1 47 . 14 1 1 A 9 9 SER HA H 9 4.650 4.772 -0.122 1
1 50 . 14 1 1 A 10 10 ILE HA H 10 4.280 4.724 -0.444 1
1 59 . 14 1 1 A 11 11 CYS HA H 11 4.920 4.849 0.071 1
1 62 . 14 1 1 A 12 12 SER H H 12 8.200 8.448 -0.248 1
1 63 . 14 1 1 A 12 12 SER HA H 12 4.660 4.660 0.000 1
1 66 . 14 1 1 A 13 13 LEU H H 13 8.220 8.384 -0.164 1
1 67 . 14 1 1 A 13 13 LEU HA H 13 3.970 3.983 -0.013 1
1 77 . 14 1 1 A 14 14 TYR H H 14 7.650 7.495 0.155 1
1 78 . 14 1 1 A 14 14 TYR HA H 14 4.400 4.310 0.090 1
1 85 . 14 1 1 A 15 15 GLN H H 15 7.530 7.471 0.059 1
1 86 . 14 1 1 A 15 15 GLN HA H 15 4.030 3.861 0.169 1
1 93 . 14 1 1 A 16 16 LEU H H 16 7.860 7.438 0.422 1
1 94 . 14 1 1 A 16 16 LEU HA H 16 4.190 3.363 0.827 1
1 104 . 14 1 1 A 17 17 GLU H H 17 8.020 7.731 0.289 1
1 105 . 14 1 1 A 17 17 GLU HA H 17 4.120 3.916 0.204 1
1 110 . 14 1 1 A 18 18 ASN H H 18 7.470 7.772 -0.302 1
1 111 . 14 1 1 A 18 18 ASN HA H 18 4.500 4.652 -0.152 1
1 116 . 14 1 1 A 19 19 TYR H H 19 7.940 7.846 0.094 1
1 117 . 14 1 1 A 19 19 TYR HA H 19 4.570 4.373 0.197 1
1 124 . 14 1 1 A 20 20 CYS H H 20 7.520 7.496 0.024 1
1 125 . 14 1 1 A 20 20 CYS HA H 20 4.730 4.613 0.117 1
1 142 . 14 2 2 B 2 2 VAL H H 2 8.340 7.905 0.435 1
1 143 . 14 2 2 B 2 2 VAL HA H 2 4.050 4.400 -0.350 1
1 151 . 14 2 2 B 3 3 ASN H H 3 8.480 8.698 -0.218 1
1 152 . 14 2 2 B 3 3 ASN HA H 3 4.600 4.920 -0.320 1
1 157 . 14 2 2 B 4 4 GLN HA H 4 4.500 4.643 -0.143 1
1 164 . 14 2 2 B 5 5 HIS H H 5 8.440 8.796 -0.356 1
1 165 . 14 2 2 B 5 5 HIS HA H 5 4.470 4.767 -0.297 1
1 170 . 14 2 2 B 6 6 LEU H H 6 8.840 8.445 0.395 1
1 171 . 14 2 2 B 6 6 LEU HA H 6 4.560 4.521 0.039 1
1 181 . 14 2 2 B 7 7 CYS H H 7 8.680 7.763 0.917 1
1 182 . 14 2 2 B 7 7 CYS HA H 7 4.910 4.191 0.719 1
1 185 . 14 2 2 B 8 8 GLY HA2 H 8 4.020 3.887 0.133 1
1 186 . 14 2 2 B 8 8 GLY HA3 H 8 3.880 3.893 -0.013 1
1 187 . 14 2 2 B 9 9 SER HA H 9 4.100 4.190 -0.090 1
1 190 . 14 2 2 B 10 10 ASP H H 10 8.080 8.124 -0.044 1
1 191 . 14 2 2 B 10 10 ASP HA H 10 4.460 4.497 -0.037 1
1 194 . 14 2 2 B 11 11 LEU H H 11 7.080 8.260 -1.180 1
1 195 . 14 2 2 B 11 11 LEU HA H 11 4.040 3.956 0.084 1
1 205 . 14 2 2 B 12 12 VAL H H 12 7.170 8.312 -1.142 1
1 206 . 14 2 2 B 12 12 VAL HA H 12 3.430 3.628 -0.198 1
1 214 . 14 2 2 B 13 13 GLU H H 13 8.050 7.642 0.408 1
1 215 . 14 2 2 B 13 13 GLU HA H 13 4.090 4.063 0.027 1
1 220 . 14 2 2 B 14 14 ALA H H 14 7.760 7.827 -0.067 1
1 221 . 14 2 2 B 14 14 ALA HA H 14 4.100 4.067 0.033 1
1 225 . 14 2 2 B 15 15 LEU H H 15 8.050 7.791 0.259 1
1 226 . 14 2 2 B 15 15 LEU HA H 15 3.970 3.899 0.071 1
1 236 . 14 2 2 B 16 16 TYR H H 16 7.860 8.317 -0.457 1
1 237 . 14 2 2 B 16 16 TYR HA H 16 4.220 4.435 -0.215 1
1 244 . 14 2 2 B 17 17 LEU H H 17 7.790 7.471 0.319 1
1 245 . 14 2 2 B 17 17 LEU HA H 17 4.110 3.481 0.629 1
1 255 . 14 2 2 B 18 18 VAL H H 18 8.250 7.761 0.489 1
1 256 . 14 2 2 B 18 18 VAL HA H 18 3.860 3.682 0.178 1
1 264 . 14 2 2 B 19 19 CYS H H 19 8.720 7.775 0.945 1
1 265 . 14 2 2 B 19 19 CYS HA H 19 4.770 4.505 0.265 1
1 268 . 14 2 2 B 20 20 GLY H H 20 7.930 8.446 -0.516 1
1 269 . 14 2 2 B 20 20 GLY HA2 H 20 3.960 4.201 -0.241 1
1 270 . 14 2 2 B 20 20 GLY HA3 H 20 3.740 4.465 -0.725 1
1 271 . 14 2 2 B 21 21 GLU H H 21 8.340 8.797 -0.457 1
1 272 . 14 2 2 B 21 21 GLU HA H 21 4.220 4.095 0.125 1
1 277 . 14 2 2 B 22 22 ARG H H 22 8.060 8.134 -0.074 1
1 278 . 14 2 2 B 22 22 ARG HA H 22 4.300 3.892 0.408 1
1 301 . 14 2 2 B 26 26 TYR H H 26 7.980 8.191 -0.211 1
1 302 . 14 2 2 B 26 26 TYR HA H 26 4.610 4.333 0.277 1
1 309 . 14 2 2 B 27 27 THR H H 27 7.840 8.800 -0.960 1
1 310 . 14 2 2 B 27 27 THR HA H 27 4.310 4.767 -0.457 1
1 315 . 14 2 2 B 28 28 LYS H H 28 8.160 8.394 -0.234 1
1 316 . 14 2 2 B 28 28 LYS HA H 28 4.480 4.760 -0.280 1
1 325 . 14 2 2 B 29 29 PRO HA H 29 4.400 4.795 -0.395 1
1 1 . 15 1 1 A 2 2 ILE HA H 2 3.940 3.746 0.194 1
1 11 . 15 1 1 A 3 3 VAL H H 3 8.180 8.101 0.079 1
1 12 . 15 1 1 A 3 3 VAL HA H 3 3.620 3.861 -0.241 1
1 20 . 15 1 1 A 4 4 GLU HA H 4 4.170 3.967 0.203 1
1 25 . 15 1 1 A 5 5 GLN H H 5 8.180 8.294 -0.114 1
1 26 . 15 1 1 A 5 5 GLN HA H 5 4.140 4.112 0.028 1
1 33 . 15 1 1 A 6 6 CYS H H 6 8.250 7.786 0.464 1
1 34 . 15 1 1 A 6 6 CYS HA H 6 5.070 4.686 0.384 1
1 37 . 15 1 1 A 7 7 CYS H H 7 8.270 8.135 0.135 1
1 38 . 15 1 1 A 7 7 CYS HA H 7 4.860 4.773 0.087 1
1 41 . 15 1 1 A 8 8 THR HA H 8 4.180 4.330 -0.150 1
1 46 . 15 1 1 A 9 9 SER H H 9 8.210 7.792 0.418 1
1 47 . 15 1 1 A 9 9 SER HA H 9 4.650 4.813 -0.163 1
1 50 . 15 1 1 A 10 10 ILE HA H 10 4.280 4.764 -0.484 1
1 59 . 15 1 1 A 11 11 CYS HA H 11 4.920 5.359 -0.439 1
1 62 . 15 1 1 A 12 12 SER H H 12 8.200 8.401 -0.201 1
1 63 . 15 1 1 A 12 12 SER HA H 12 4.660 4.773 -0.113 1
1 66 . 15 1 1 A 13 13 LEU H H 13 8.220 8.414 -0.194 1
1 67 . 15 1 1 A 13 13 LEU HA H 13 3.970 3.998 -0.028 1
1 77 . 15 1 1 A 14 14 TYR H H 14 7.650 7.594 0.056 1
1 78 . 15 1 1 A 14 14 TYR HA H 14 4.400 4.395 0.005 1
1 85 . 15 1 1 A 15 15 GLN H H 15 7.530 7.626 -0.096 1
1 86 . 15 1 1 A 15 15 GLN HA H 15 4.030 3.956 0.074 1
1 93 . 15 1 1 A 16 16 LEU H H 16 7.860 7.209 0.651 1
1 94 . 15 1 1 A 16 16 LEU HA H 16 4.190 2.785 1.405 1
1 104 . 15 1 1 A 17 17 GLU H H 17 8.020 8.059 -0.039 1
1 105 . 15 1 1 A 17 17 GLU HA H 17 4.120 3.990 0.130 1
1 110 . 15 1 1 A 18 18 ASN H H 18 7.470 7.681 -0.211 1
1 111 . 15 1 1 A 18 18 ASN HA H 18 4.500 4.652 -0.152 1
1 116 . 15 1 1 A 19 19 TYR H H 19 7.940 7.498 0.442 1
1 117 . 15 1 1 A 19 19 TYR HA H 19 4.570 4.351 0.219 1
1 124 . 15 1 1 A 20 20 CYS H H 20 7.520 7.328 0.192 1
1 125 . 15 1 1 A 20 20 CYS HA H 20 4.730 4.835 -0.105 1
1 142 . 15 2 2 B 2 2 VAL H H 2 8.340 8.784 -0.444 1
1 143 . 15 2 2 B 2 2 VAL HA H 2 4.050 4.432 -0.382 1
1 151 . 15 2 2 B 3 3 ASN H H 3 8.480 8.267 0.213 1
1 152 . 15 2 2 B 3 3 ASN HA H 3 4.600 4.695 -0.095 1
1 157 . 15 2 2 B 4 4 GLN HA H 4 4.500 4.721 -0.221 1
1 164 . 15 2 2 B 5 5 HIS H H 5 8.440 8.736 -0.296 1
1 165 . 15 2 2 B 5 5 HIS HA H 5 4.470 4.654 -0.184 1
1 170 . 15 2 2 B 6 6 LEU H H 6 8.840 8.576 0.264 1
1 171 . 15 2 2 B 6 6 LEU HA H 6 4.560 4.507 0.053 1
1 181 . 15 2 2 B 7 7 CYS H H 7 8.680 7.888 0.792 1
1 182 . 15 2 2 B 7 7 CYS HA H 7 4.910 4.296 0.614 1
1 185 . 15 2 2 B 8 8 GLY HA2 H 8 4.020 3.952 0.068 1
1 186 . 15 2 2 B 8 8 GLY HA3 H 8 3.880 3.961 -0.081 1
1 187 . 15 2 2 B 9 9 SER HA H 9 4.100 4.097 0.003 1
1 190 . 15 2 2 B 10 10 ASP H H 10 8.080 7.732 0.348 1
1 191 . 15 2 2 B 10 10 ASP HA H 10 4.460 4.501 -0.041 1
1 194 . 15 2 2 B 11 11 LEU H H 11 7.080 8.317 -1.237 1
1 195 . 15 2 2 B 11 11 LEU HA H 11 4.040 4.031 0.009 1
1 205 . 15 2 2 B 12 12 VAL H H 12 7.170 8.293 -1.123 1
1 206 . 15 2 2 B 12 12 VAL HA H 12 3.430 3.820 -0.390 1
1 214 . 15 2 2 B 13 13 GLU H H 13 8.050 8.092 -0.042 1
1 215 . 15 2 2 B 13 13 GLU HA H 13 4.090 4.075 0.015 1
1 220 . 15 2 2 B 14 14 ALA H H 14 7.760 7.956 -0.196 1
1 221 . 15 2 2 B 14 14 ALA HA H 14 4.100 4.136 -0.036 1
1 225 . 15 2 2 B 15 15 LEU H H 15 8.050 8.303 -0.253 1
1 226 . 15 2 2 B 15 15 LEU HA H 15 3.970 3.923 0.047 1
1 236 . 15 2 2 B 16 16 TYR H H 16 7.860 8.207 -0.347 1
1 237 . 15 2 2 B 16 16 TYR HA H 16 4.220 4.064 0.156 1
1 244 . 15 2 2 B 17 17 LEU H H 17 7.790 7.701 0.089 1
1 245 . 15 2 2 B 17 17 LEU HA H 17 4.110 3.481 0.629 1
1 255 . 15 2 2 B 18 18 VAL H H 18 8.250 7.646 0.604 1
1 256 . 15 2 2 B 18 18 VAL HA H 18 3.860 3.649 0.211 1
1 264 . 15 2 2 B 19 19 CYS H H 19 8.720 7.566 1.154 1
1 265 . 15 2 2 B 19 19 CYS HA H 19 4.770 4.318 0.452 1
1 268 . 15 2 2 B 20 20 GLY H H 20 7.930 8.754 -0.824 1
1 269 . 15 2 2 B 20 20 GLY HA2 H 20 3.960 3.534 0.426 1
1 270 . 15 2 2 B 20 20 GLY HA3 H 20 3.740 3.769 -0.029 1
1 271 . 15 2 2 B 21 21 GLU H H 21 8.340 8.774 -0.434 1
1 272 . 15 2 2 B 21 21 GLU HA H 21 4.220 4.478 -0.258 1
1 277 . 15 2 2 B 22 22 ARG H H 22 8.060 7.595 0.465 1
1 278 . 15 2 2 B 22 22 ARG HA H 22 4.300 4.365 -0.065 1
1 301 . 15 2 2 B 26 26 TYR H H 26 7.980 8.662 -0.682 1
1 302 . 15 2 2 B 26 26 TYR HA H 26 4.610 4.280 0.330 1
1 309 . 15 2 2 B 27 27 THR H H 27 7.840 7.907 -0.067 1
1 310 . 15 2 2 B 27 27 THR HA H 27 4.310 4.634 -0.324 1
1 315 . 15 2 2 B 28 28 LYS H H 28 8.160 8.406 -0.246 1
1 316 . 15 2 2 B 28 28 LYS HA H 28 4.480 4.255 0.225 1
1 325 . 15 2 2 B 29 29 PRO HA H 29 4.400 4.742 -0.342 1
1 1 . 16 1 1 A 2 2 ILE HA H 2 3.940 3.741 0.199 1
1 11 . 16 1 1 A 3 3 VAL H H 3 8.180 8.177 0.003 1
1 12 . 16 1 1 A 3 3 VAL HA H 3 3.620 3.887 -0.267 1
1 20 . 16 1 1 A 4 4 GLU HA H 4 4.170 3.942 0.228 1
1 25 . 16 1 1 A 5 5 GLN H H 5 8.180 7.970 0.210 1
1 26 . 16 1 1 A 5 5 GLN HA H 5 4.140 4.353 -0.213 1
1 33 . 16 1 1 A 6 6 CYS H H 6 8.250 8.372 -0.122 1
1 34 . 16 1 1 A 6 6 CYS HA H 6 5.070 4.670 0.400 1
1 37 . 16 1 1 A 7 7 CYS H H 7 8.270 8.186 0.084 1
1 38 . 16 1 1 A 7 7 CYS HA H 7 4.860 4.771 0.089 1
1 41 . 16 1 1 A 8 8 THR HA H 8 4.180 4.407 -0.227 1
1 46 . 16 1 1 A 9 9 SER H H 9 8.210 7.998 0.212 1
1 47 . 16 1 1 A 9 9 SER HA H 9 4.650 4.773 -0.123 1
1 50 . 16 1 1 A 10 10 ILE HA H 10 4.280 4.623 -0.343 1
1 59 . 16 1 1 A 11 11 CYS HA H 11 4.920 5.267 -0.347 1
1 62 . 16 1 1 A 12 12 SER H H 12 8.200 8.529 -0.329 1
1 63 . 16 1 1 A 12 12 SER HA H 12 4.660 4.952 -0.292 1
1 66 . 16 1 1 A 13 13 LEU H H 13 8.220 8.624 -0.404 1
1 67 . 16 1 1 A 13 13 LEU HA H 13 3.970 4.061 -0.091 1
1 77 . 16 1 1 A 14 14 TYR H H 14 7.650 7.892 -0.242 1
1 78 . 16 1 1 A 14 14 TYR HA H 14 4.400 4.319 0.081 1
1 85 . 16 1 1 A 15 15 GLN H H 15 7.530 7.296 0.234 1
1 86 . 16 1 1 A 15 15 GLN HA H 15 4.030 3.382 0.648 1
1 93 . 16 1 1 A 16 16 LEU H H 16 7.860 7.142 0.718 1
1 94 . 16 1 1 A 16 16 LEU HA H 16 4.190 3.699 0.491 1
1 104 . 16 1 1 A 17 17 GLU H H 17 8.020 7.710 0.310 1
1 105 . 16 1 1 A 17 17 GLU HA H 17 4.120 3.993 0.127 1
1 110 . 16 1 1 A 18 18 ASN H H 18 7.470 7.594 -0.124 1
1 111 . 16 1 1 A 18 18 ASN HA H 18 4.500 4.623 -0.123 1
1 116 . 16 1 1 A 19 19 TYR H H 19 7.940 7.134 0.806 1
1 117 . 16 1 1 A 19 19 TYR HA H 19 4.570 4.333 0.237 1
1 124 . 16 1 1 A 20 20 CYS H H 20 7.520 7.484 0.036 1
1 125 . 16 1 1 A 20 20 CYS HA H 20 4.730 4.776 -0.046 1
1 142 . 16 2 2 B 2 2 VAL H H 2 8.340 7.930 0.410 1
1 143 . 16 2 2 B 2 2 VAL HA H 2 4.050 4.440 -0.390 1
1 151 . 16 2 2 B 3 3 ASN H H 3 8.480 8.838 -0.358 1
1 152 . 16 2 2 B 3 3 ASN HA H 3 4.600 5.105 -0.505 1
1 157 . 16 2 2 B 4 4 GLN HA H 4 4.500 4.738 -0.238 1
1 164 . 16 2 2 B 5 5 HIS H H 5 8.440 8.792 -0.352 1
1 165 . 16 2 2 B 5 5 HIS HA H 5 4.470 4.796 -0.326 1
1 170 . 16 2 2 B 6 6 LEU H H 6 8.840 8.566 0.274 1
1 171 . 16 2 2 B 6 6 LEU HA H 6 4.560 4.532 0.028 1
1 181 . 16 2 2 B 7 7 CYS H H 7 8.680 7.916 0.764 1
1 182 . 16 2 2 B 7 7 CYS HA H 7 4.910 4.276 0.634 1
1 185 . 16 2 2 B 8 8 GLY HA2 H 8 4.020 3.873 0.147 1
1 186 . 16 2 2 B 8 8 GLY HA3 H 8 3.880 3.880 0.000 1
1 187 . 16 2 2 B 9 9 SER HA H 9 4.100 4.099 0.001 1
1 190 . 16 2 2 B 10 10 ASP H H 10 8.080 7.567 0.513 1
1 191 . 16 2 2 B 10 10 ASP HA H 10 4.460 4.566 -0.106 1
1 194 . 16 2 2 B 11 11 LEU H H 11 7.080 8.375 -1.295 1
1 195 . 16 2 2 B 11 11 LEU HA H 11 4.040 4.116 -0.076 1
1 205 . 16 2 2 B 12 12 VAL H H 12 7.170 8.207 -1.037 1
1 206 . 16 2 2 B 12 12 VAL HA H 12 3.430 3.903 -0.473 1
1 214 . 16 2 2 B 13 13 GLU H H 13 8.050 7.932 0.118 1
1 215 . 16 2 2 B 13 13 GLU HA H 13 4.090 4.157 -0.067 1
1 220 . 16 2 2 B 14 14 ALA H H 14 7.760 7.909 -0.149 1
1 221 . 16 2 2 B 14 14 ALA HA H 14 4.100 4.204 -0.104 1
1 225 . 16 2 2 B 15 15 LEU H H 15 8.050 7.763 0.287 1
1 226 . 16 2 2 B 15 15 LEU HA H 15 3.970 4.008 -0.038 1
1 236 . 16 2 2 B 16 16 TYR H H 16 7.860 8.341 -0.481 1
1 237 . 16 2 2 B 16 16 TYR HA H 16 4.220 4.259 -0.039 1
1 244 . 16 2 2 B 17 17 LEU H H 17 7.790 7.909 -0.119 1
1 245 . 16 2 2 B 17 17 LEU HA H 17 4.110 3.678 0.432 1
1 255 . 16 2 2 B 18 18 VAL H H 18 8.250 7.732 0.518 1
1 256 . 16 2 2 B 18 18 VAL HA H 18 3.860 3.620 0.240 1
1 264 . 16 2 2 B 19 19 CYS H H 19 8.720 7.632 1.088 1
1 265 . 16 2 2 B 19 19 CYS HA H 19 4.770 4.421 0.349 1
1 268 . 16 2 2 B 20 20 GLY H H 20 7.930 8.245 -0.315 1
1 269 . 16 2 2 B 20 20 GLY HA2 H 20 3.960 3.696 0.264 1
1 270 . 16 2 2 B 20 20 GLY HA3 H 20 3.740 3.797 -0.057 1
1 271 . 16 2 2 B 21 21 GLU H H 21 8.340 8.538 -0.198 1
1 272 . 16 2 2 B 21 21 GLU HA H 21 4.220 4.575 -0.355 1
1 277 . 16 2 2 B 22 22 ARG H H 22 8.060 7.829 0.231 1
1 278 . 16 2 2 B 22 22 ARG HA H 22 4.300 4.642 -0.342 1
1 301 . 16 2 2 B 26 26 TYR H H 26 7.980 9.014 -1.034 1
1 302 . 16 2 2 B 26 26 TYR HA H 26 4.610 4.352 0.258 1
1 309 . 16 2 2 B 27 27 THR H H 27 7.840 7.277 0.563 1
1 310 . 16 2 2 B 27 27 THR HA H 27 4.310 4.938 -0.628 1
1 315 . 16 2 2 B 28 28 LYS H H 28 8.160 8.625 -0.465 1
1 316 . 16 2 2 B 28 28 LYS HA H 28 4.480 4.933 -0.453 1
1 325 . 16 2 2 B 29 29 PRO HA H 29 4.400 4.723 -0.323 1
1 1 . 17 1 1 A 2 2 ILE HA H 2 3.940 3.659 0.281 1
1 11 . 17 1 1 A 3 3 VAL H H 3 8.180 8.082 0.098 1
1 12 . 17 1 1 A 3 3 VAL HA H 3 3.620 3.858 -0.238 1
1 20 . 17 1 1 A 4 4 GLU HA H 4 4.170 3.988 0.182 1
1 25 . 17 1 1 A 5 5 GLN H H 5 8.180 8.199 -0.019 1
1 26 . 17 1 1 A 5 5 GLN HA H 5 4.140 4.422 -0.282 1
1 33 . 17 1 1 A 6 6 CYS H H 6 8.250 8.275 -0.025 1
1 34 . 17 1 1 A 6 6 CYS HA H 6 5.070 4.480 0.590 1
1 37 . 17 1 1 A 7 7 CYS H H 7 8.270 8.917 -0.647 1
1 38 . 17 1 1 A 7 7 CYS HA H 7 4.860 4.818 0.042 1
1 41 . 17 1 1 A 8 8 THR HA H 8 4.180 4.252 -0.072 1
1 46 . 17 1 1 A 9 9 SER H H 9 8.210 8.190 0.020 1
1 47 . 17 1 1 A 9 9 SER HA H 9 4.650 4.803 -0.153 1
1 50 . 17 1 1 A 10 10 ILE HA H 10 4.280 4.684 -0.404 1
1 59 . 17 1 1 A 11 11 CYS HA H 11 4.920 4.964 -0.044 1
1 62 . 17 1 1 A 12 12 SER H H 12 8.200 8.351 -0.151 1
1 63 . 17 1 1 A 12 12 SER HA H 12 4.660 4.860 -0.200 1
1 66 . 17 1 1 A 13 13 LEU H H 13 8.220 8.570 -0.350 1
1 67 . 17 1 1 A 13 13 LEU HA H 13 3.970 3.961 0.009 1
1 77 . 17 1 1 A 14 14 TYR H H 14 7.650 7.954 -0.304 1
1 78 . 17 1 1 A 14 14 TYR HA H 14 4.400 4.226 0.174 1
1 85 . 17 1 1 A 15 15 GLN H H 15 7.530 6.898 0.632 1
1 86 . 17 1 1 A 15 15 GLN HA H 15 4.030 3.832 0.198 1
1 93 . 17 1 1 A 16 16 LEU H H 16 7.860 7.409 0.451 1
1 94 . 17 1 1 A 16 16 LEU HA H 16 4.190 2.953 1.237 1
1 104 . 17 1 1 A 17 17 GLU H H 17 8.020 8.221 -0.201 1
1 105 . 17 1 1 A 17 17 GLU HA H 17 4.120 3.951 0.169 1
1 110 . 17 1 1 A 18 18 ASN H H 18 7.470 7.483 -0.013 1
1 111 . 17 1 1 A 18 18 ASN HA H 18 4.500 4.616 -0.116 1
1 116 . 17 1 1 A 19 19 TYR H H 19 7.940 8.329 -0.389 1
1 117 . 17 1 1 A 19 19 TYR HA H 19 4.570 4.237 0.333 1
1 124 . 17 1 1 A 20 20 CYS H H 20 7.520 7.490 0.030 1
1 125 . 17 1 1 A 20 20 CYS HA H 20 4.730 4.743 -0.013 1
1 142 . 17 2 2 B 2 2 VAL H H 2 8.340 8.538 -0.198 1
1 143 . 17 2 2 B 2 2 VAL HA H 2 4.050 4.309 -0.259 1
1 151 . 17 2 2 B 3 3 ASN H H 3 8.480 8.525 -0.045 1
1 152 . 17 2 2 B 3 3 ASN HA H 3 4.600 4.986 -0.386 1
1 157 . 17 2 2 B 4 4 GLN HA H 4 4.500 4.737 -0.237 1
1 164 . 17 2 2 B 5 5 HIS H H 5 8.440 8.821 -0.381 1
1 165 . 17 2 2 B 5 5 HIS HA H 5 4.470 4.696 -0.226 1
1 170 . 17 2 2 B 6 6 LEU H H 6 8.840 8.566 0.274 1
1 171 . 17 2 2 B 6 6 LEU HA H 6 4.560 4.512 0.048 1
1 181 . 17 2 2 B 7 7 CYS H H 7 8.680 7.895 0.785 1
1 182 . 17 2 2 B 7 7 CYS HA H 7 4.910 4.262 0.648 1
1 185 . 17 2 2 B 8 8 GLY HA2 H 8 4.020 3.844 0.176 1
1 186 . 17 2 2 B 8 8 GLY HA3 H 8 3.880 3.845 0.035 1
1 187 . 17 2 2 B 9 9 SER HA H 9 4.100 4.120 -0.020 1
1 190 . 17 2 2 B 10 10 ASP H H 10 8.080 7.223 0.857 1
1 191 . 17 2 2 B 10 10 ASP HA H 10 4.460 4.499 -0.039 1
1 194 . 17 2 2 B 11 11 LEU H H 11 7.080 8.580 -1.500 1
1 195 . 17 2 2 B 11 11 LEU HA H 11 4.040 4.061 -0.021 1
1 205 . 17 2 2 B 12 12 VAL H H 12 7.170 8.655 -1.485 1
1 206 . 17 2 2 B 12 12 VAL HA H 12 3.430 3.769 -0.339 1
1 214 . 17 2 2 B 13 13 GLU H H 13 8.050 8.629 -0.579 1
1 215 . 17 2 2 B 13 13 GLU HA H 13 4.090 4.161 -0.071 1
1 220 . 17 2 2 B 14 14 ALA H H 14 7.760 8.184 -0.424 1
1 221 . 17 2 2 B 14 14 ALA HA H 14 4.100 4.217 -0.117 1
1 225 . 17 2 2 B 15 15 LEU H H 15 8.050 8.049 0.001 1
1 226 . 17 2 2 B 15 15 LEU HA H 15 3.970 4.074 -0.104 1
1 236 . 17 2 2 B 16 16 TYR H H 16 7.860 8.240 -0.380 1
1 237 . 17 2 2 B 16 16 TYR HA H 16 4.220 4.384 -0.164 1
1 244 . 17 2 2 B 17 17 LEU H H 17 7.790 7.973 -0.183 1
1 245 . 17 2 2 B 17 17 LEU HA H 17 4.110 3.729 0.381 1
1 255 . 17 2 2 B 18 18 VAL H H 18 8.250 7.844 0.406 1
1 256 . 17 2 2 B 18 18 VAL HA H 18 3.860 3.700 0.160 1
1 264 . 17 2 2 B 19 19 CYS H H 19 8.720 7.644 1.076 1
1 265 . 17 2 2 B 19 19 CYS HA H 19 4.770 4.429 0.341 1
1 268 . 17 2 2 B 20 20 GLY H H 20 7.930 7.690 0.240 1
1 269 . 17 2 2 B 20 20 GLY HA2 H 20 3.960 3.575 0.385 1
1 270 . 17 2 2 B 20 20 GLY HA3 H 20 3.740 3.664 0.076 1
1 271 . 17 2 2 B 21 21 GLU H H 21 8.340 8.504 -0.164 1
1 272 . 17 2 2 B 21 21 GLU HA H 21 4.220 4.521 -0.301 1
1 277 . 17 2 2 B 22 22 ARG H H 22 8.060 7.416 0.644 1
1 278 . 17 2 2 B 22 22 ARG HA H 22 4.300 4.141 0.159 1
1 301 . 17 2 2 B 26 26 TYR H H 26 7.980 7.938 0.042 1
1 302 . 17 2 2 B 26 26 TYR HA H 26 4.610 4.343 0.267 1
1 309 . 17 2 2 B 27 27 THR H H 27 7.840 8.108 -0.268 1
1 310 . 17 2 2 B 27 27 THR HA H 27 4.310 5.197 -0.887 1
1 315 . 17 2 2 B 28 28 LYS H H 28 8.160 8.609 -0.449 1
1 316 . 17 2 2 B 28 28 LYS HA H 28 4.480 4.988 -0.508 1
1 325 . 17 2 2 B 29 29 PRO HA H 29 4.400 4.532 -0.132 1
1 1 . 18 1 1 A 2 2 ILE HA H 2 3.940 3.625 0.315 1
1 11 . 18 1 1 A 3 3 VAL H H 3 8.180 8.164 0.016 1
1 12 . 18 1 1 A 3 3 VAL HA H 3 3.620 3.831 -0.211 1
1 20 . 18 1 1 A 4 4 GLU HA H 4 4.170 3.961 0.209 1
1 25 . 18 1 1 A 5 5 GLN H H 5 8.180 7.937 0.243 1
1 26 . 18 1 1 A 5 5 GLN HA H 5 4.140 4.363 -0.223 1
1 33 . 18 1 1 A 6 6 CYS H H 6 8.250 8.494 -0.244 1
1 34 . 18 1 1 A 6 6 CYS HA H 6 5.070 4.665 0.405 1
1 37 . 18 1 1 A 7 7 CYS H H 7 8.270 8.110 0.160 1
1 38 . 18 1 1 A 7 7 CYS HA H 7 4.860 4.772 0.088 1
1 41 . 18 1 1 A 8 8 THR HA H 8 4.180 4.426 -0.246 1
1 46 . 18 1 1 A 9 9 SER H H 9 8.210 7.968 0.242 1
1 47 . 18 1 1 A 9 9 SER HA H 9 4.650 4.758 -0.108 1
1 50 . 18 1 1 A 10 10 ILE HA H 10 4.280 4.649 -0.369 1
1 59 . 18 1 1 A 11 11 CYS HA H 11 4.920 5.155 -0.235 1
1 62 . 18 1 1 A 12 12 SER H H 12 8.200 8.395 -0.195 1
1 63 . 18 1 1 A 12 12 SER HA H 12 4.660 4.945 -0.285 1
1 66 . 18 1 1 A 13 13 LEU H H 13 8.220 8.559 -0.339 1
1 67 . 18 1 1 A 13 13 LEU HA H 13 3.970 4.040 -0.070 1
1 77 . 18 1 1 A 14 14 TYR H H 14 7.650 7.819 -0.169 1
1 78 . 18 1 1 A 14 14 TYR HA H 14 4.400 4.335 0.065 1
1 85 . 18 1 1 A 15 15 GLN H H 15 7.530 7.370 0.160 1
1 86 . 18 1 1 A 15 15 GLN HA H 15 4.030 3.623 0.407 1
1 93 . 18 1 1 A 16 16 LEU H H 16 7.860 7.165 0.695 1
1 94 . 18 1 1 A 16 16 LEU HA H 16 4.190 3.544 0.646 1
1 104 . 18 1 1 A 17 17 GLU H H 17 8.020 8.073 -0.053 1
1 105 . 18 1 1 A 17 17 GLU HA H 17 4.120 3.993 0.127 1
1 110 . 18 1 1 A 18 18 ASN H H 18 7.470 7.607 -0.137 1
1 111 . 18 1 1 A 18 18 ASN HA H 18 4.500 4.637 -0.137 1
1 116 . 18 1 1 A 19 19 TYR H H 19 7.940 7.549 0.391 1
1 117 . 18 1 1 A 19 19 TYR HA H 19 4.570 4.477 0.093 1
1 124 . 18 1 1 A 20 20 CYS H H 20 7.520 7.432 0.088 1
1 125 . 18 1 1 A 20 20 CYS HA H 20 4.730 4.573 0.157 1
1 142 . 18 2 2 B 2 2 VAL H H 2 8.340 9.056 -0.716 1
1 143 . 18 2 2 B 2 2 VAL HA H 2 4.050 4.564 -0.514 1
1 151 . 18 2 2 B 3 3 ASN H H 3 8.480 8.563 -0.083 1
1 152 . 18 2 2 B 3 3 ASN HA H 3 4.600 4.854 -0.254 1
1 157 . 18 2 2 B 4 4 GLN HA H 4 4.500 4.706 -0.206 1
1 164 . 18 2 2 B 5 5 HIS H H 5 8.440 8.777 -0.337 1
1 165 . 18 2 2 B 5 5 HIS HA H 5 4.470 4.759 -0.289 1
1 170 . 18 2 2 B 6 6 LEU H H 6 8.840 8.595 0.245 1
1 171 . 18 2 2 B 6 6 LEU HA H 6 4.560 4.540 0.020 1
1 181 . 18 2 2 B 7 7 CYS H H 7 8.680 7.905 0.775 1
1 182 . 18 2 2 B 7 7 CYS HA H 7 4.910 4.294 0.616 1
1 185 . 18 2 2 B 8 8 GLY HA2 H 8 4.020 3.900 0.120 1
1 186 . 18 2 2 B 8 8 GLY HA3 H 8 3.880 3.912 -0.032 1
1 187 . 18 2 2 B 9 9 SER HA H 9 4.100 4.132 -0.032 1
1 190 . 18 2 2 B 10 10 ASP H H 10 8.080 7.930 0.150 1
1 191 . 18 2 2 B 10 10 ASP HA H 10 4.460 4.562 -0.102 1
1 194 . 18 2 2 B 11 11 LEU H H 11 7.080 8.457 -1.377 1
1 195 . 18 2 2 B 11 11 LEU HA H 11 4.040 4.048 -0.008 1
1 205 . 18 2 2 B 12 12 VAL H H 12 7.170 8.461 -1.291 1
1 206 . 18 2 2 B 12 12 VAL HA H 12 3.430 4.069 -0.639 1
1 214 . 18 2 2 B 13 13 GLU H H 13 8.050 8.006 0.044 1
1 215 . 18 2 2 B 13 13 GLU HA H 13 4.090 4.179 -0.089 1
1 220 . 18 2 2 B 14 14 ALA H H 14 7.760 7.922 -0.162 1
1 221 . 18 2 2 B 14 14 ALA HA H 14 4.100 4.182 -0.082 1
1 225 . 18 2 2 B 15 15 LEU H H 15 8.050 8.158 -0.108 1
1 226 . 18 2 2 B 15 15 LEU HA H 15 3.970 4.059 -0.089 1
1 236 . 18 2 2 B 16 16 TYR H H 16 7.860 8.462 -0.602 1
1 237 . 18 2 2 B 16 16 TYR HA H 16 4.220 4.231 -0.011 1
1 244 . 18 2 2 B 17 17 LEU H H 17 7.790 7.736 0.054 1
1 245 . 18 2 2 B 17 17 LEU HA H 17 4.110 3.514 0.596 1
1 255 . 18 2 2 B 18 18 VAL H H 18 8.250 7.805 0.445 1
1 256 . 18 2 2 B 18 18 VAL HA H 18 3.860 3.653 0.207 1
1 264 . 18 2 2 B 19 19 CYS H H 19 8.720 7.911 0.809 1
1 265 . 18 2 2 B 19 19 CYS HA H 19 4.770 4.273 0.497 1
1 268 . 18 2 2 B 20 20 GLY H H 20 7.930 8.269 -0.339 1
1 269 . 18 2 2 B 20 20 GLY HA2 H 20 3.960 3.690 0.270 1
1 270 . 18 2 2 B 20 20 GLY HA3 H 20 3.740 3.876 -0.136 1
1 271 . 18 2 2 B 21 21 GLU H H 21 8.340 8.603 -0.263 1
1 272 . 18 2 2 B 21 21 GLU HA H 21 4.220 4.687 -0.467 1
1 277 . 18 2 2 B 22 22 ARG H H 22 8.060 8.088 -0.028 1
1 278 . 18 2 2 B 22 22 ARG HA H 22 4.300 4.138 0.162 1
1 301 . 18 2 2 B 26 26 TYR H H 26 7.980 7.075 0.905 1
1 302 . 18 2 2 B 26 26 TYR HA H 26 4.610 4.586 0.024 1
1 309 . 18 2 2 B 27 27 THR H H 27 7.840 8.496 -0.656 1
1 310 . 18 2 2 B 27 27 THR HA H 27 4.310 4.892 -0.582 1
1 315 . 18 2 2 B 28 28 LYS H H 28 8.160 8.100 0.060 1
1 316 . 18 2 2 B 28 28 LYS HA H 28 4.480 4.266 0.214 1
1 325 . 18 2 2 B 29 29 PRO HA H 29 4.400 4.336 0.064 1
1 1 . 19 1 1 A 2 2 ILE HA H 2 3.940 3.678 0.262 1
1 11 . 19 1 1 A 3 3 VAL H H 3 8.180 8.161 0.019 1
1 12 . 19 1 1 A 3 3 VAL HA H 3 3.620 3.884 -0.264 1
1 20 . 19 1 1 A 4 4 GLU HA H 4 4.170 3.983 0.187 1
1 25 . 19 1 1 A 5 5 GLN H H 5 8.180 8.087 0.093 1
1 26 . 19 1 1 A 5 5 GLN HA H 5 4.140 4.384 -0.244 1
1 33 . 19 1 1 A 6 6 CYS H H 6 8.250 8.135 0.115 1
1 34 . 19 1 1 A 6 6 CYS HA H 6 5.070 4.672 0.398 1
1 37 . 19 1 1 A 7 7 CYS H H 7 8.270 8.148 0.122 1
1 38 . 19 1 1 A 7 7 CYS HA H 7 4.860 4.777 0.083 1
1 41 . 19 1 1 A 8 8 THR HA H 8 4.180 4.278 -0.098 1
1 46 . 19 1 1 A 9 9 SER H H 9 8.210 8.252 -0.042 1
1 47 . 19 1 1 A 9 9 SER HA H 9 4.650 4.821 -0.171 1
1 50 . 19 1 1 A 10 10 ILE HA H 10 4.280 4.743 -0.463 1
1 59 . 19 1 1 A 11 11 CYS HA H 11 4.920 5.402 -0.482 1
1 62 . 19 1 1 A 12 12 SER H H 12 8.200 8.447 -0.247 1
1 63 . 19 1 1 A 12 12 SER HA H 12 4.660 4.893 -0.233 1
1 66 . 19 1 1 A 13 13 LEU H H 13 8.220 8.465 -0.245 1
1 67 . 19 1 1 A 13 13 LEU HA H 13 3.970 3.997 -0.027 1
1 77 . 19 1 1 A 14 14 TYR H H 14 7.650 7.384 0.266 1
1 78 . 19 1 1 A 14 14 TYR HA H 14 4.400 4.412 -0.012 1
1 85 . 19 1 1 A 15 15 GLN H H 15 7.530 7.340 0.190 1
1 86 . 19 1 1 A 15 15 GLN HA H 15 4.030 3.915 0.115 1
1 93 . 19 1 1 A 16 16 LEU H H 16 7.860 7.199 0.661 1
1 94 . 19 1 1 A 16 16 LEU HA H 16 4.190 3.012 1.178 1
1 104 . 19 1 1 A 17 17 GLU H H 17 8.020 7.618 0.402 1
1 105 . 19 1 1 A 17 17 GLU HA H 17 4.120 3.987 0.133 1
1 110 . 19 1 1 A 18 18 ASN H H 18 7.470 7.686 -0.216 1
1 111 . 19 1 1 A 18 18 ASN HA H 18 4.500 4.617 -0.117 1
1 116 . 19 1 1 A 19 19 TYR H H 19 7.940 7.345 0.595 1
1 117 . 19 1 1 A 19 19 TYR HA H 19 4.570 4.364 0.206 1
1 124 . 19 1 1 A 20 20 CYS H H 20 7.520 7.417 0.103 1
1 125 . 19 1 1 A 20 20 CYS HA H 20 4.730 4.834 -0.104 1
1 142 . 19 2 2 B 2 2 VAL H H 2 8.340 8.728 -0.388 1
1 143 . 19 2 2 B 2 2 VAL HA H 2 4.050 4.494 -0.444 1
1 151 . 19 2 2 B 3 3 ASN H H 3 8.480 8.742 -0.262 1
1 152 . 19 2 2 B 3 3 ASN HA H 3 4.600 4.970 -0.370 1
1 157 . 19 2 2 B 4 4 GLN HA H 4 4.500 4.764 -0.264 1
1 164 . 19 2 2 B 5 5 HIS H H 5 8.440 8.820 -0.380 1
1 165 . 19 2 2 B 5 5 HIS HA H 5 4.470 4.745 -0.275 1
1 170 . 19 2 2 B 6 6 LEU H H 6 8.840 8.556 0.284 1
1 171 . 19 2 2 B 6 6 LEU HA H 6 4.560 4.555 0.005 1
1 181 . 19 2 2 B 7 7 CYS H H 7 8.680 7.919 0.761 1
1 182 . 19 2 2 B 7 7 CYS HA H 7 4.910 4.291 0.619 1
1 185 . 19 2 2 B 8 8 GLY HA2 H 8 4.020 3.876 0.144 1
1 186 . 19 2 2 B 8 8 GLY HA3 H 8 3.880 3.894 -0.014 1
1 187 . 19 2 2 B 9 9 SER HA H 9 4.100 4.166 -0.066 1
1 190 . 19 2 2 B 10 10 ASP H H 10 8.080 7.676 0.404 1
1 191 . 19 2 2 B 10 10 ASP HA H 10 4.460 4.618 -0.158 1
1 194 . 19 2 2 B 11 11 LEU H H 11 7.080 8.537 -1.457 1
1 195 . 19 2 2 B 11 11 LEU HA H 11 4.040 4.824 -0.784 1
1 205 . 19 2 2 B 12 12 VAL H H 12 7.170 8.333 -1.163 1
1 206 . 19 2 2 B 12 12 VAL HA H 12 3.430 4.071 -0.641 1
1 214 . 19 2 2 B 13 13 GLU H H 13 8.050 8.281 -0.231 1
1 215 . 19 2 2 B 13 13 GLU HA H 13 4.090 4.068 0.022 1
1 220 . 19 2 2 B 14 14 ALA H H 14 7.760 7.296 0.464 1
1 221 . 19 2 2 B 14 14 ALA HA H 14 4.100 3.746 0.354 1
1 225 . 19 2 2 B 15 15 LEU H H 15 8.050 7.883 0.167 1
1 226 . 19 2 2 B 15 15 LEU HA H 15 3.970 3.944 0.026 1
1 236 . 19 2 2 B 16 16 TYR H H 16 7.860 7.658 0.202 1
1 237 . 19 2 2 B 16 16 TYR HA H 16 4.220 4.178 0.042 1
1 244 . 19 2 2 B 17 17 LEU H H 17 7.790 7.623 0.167 1
1 245 . 19 2 2 B 17 17 LEU HA H 17 4.110 3.576 0.534 1
1 255 . 19 2 2 B 18 18 VAL H H 18 8.250 7.813 0.437 1
1 256 . 19 2 2 B 18 18 VAL HA H 18 3.860 3.768 0.092 1
1 264 . 19 2 2 B 19 19 CYS H H 19 8.720 8.038 0.682 1
1 265 . 19 2 2 B 19 19 CYS HA H 19 4.770 4.253 0.517 1
1 268 . 19 2 2 B 20 20 GLY H H 20 7.930 7.609 0.321 1
1 269 . 19 2 2 B 20 20 GLY HA2 H 20 3.960 3.731 0.229 1
1 270 . 19 2 2 B 20 20 GLY HA3 H 20 3.740 3.843 -0.103 1
1 271 . 19 2 2 B 21 21 GLU H H 21 8.340 8.016 0.324 1
1 272 . 19 2 2 B 21 21 GLU HA H 21 4.220 4.198 0.022 1
1 277 . 19 2 2 B 22 22 ARG H H 22 8.060 8.363 -0.303 1
1 278 . 19 2 2 B 22 22 ARG HA H 22 4.300 4.385 -0.085 1
1 301 . 19 2 2 B 26 26 TYR H H 26 7.980 8.166 -0.186 1
1 302 . 19 2 2 B 26 26 TYR HA H 26 4.610 4.255 0.355 1
1 309 . 19 2 2 B 27 27 THR H H 27 7.840 8.008 -0.168 1
1 310 . 19 2 2 B 27 27 THR HA H 27 4.310 4.308 0.002 1
1 315 . 19 2 2 B 28 28 LYS H H 28 8.160 7.561 0.599 1
1 316 . 19 2 2 B 28 28 LYS HA H 28 4.480 4.613 -0.133 1
1 325 . 19 2 2 B 29 29 PRO HA H 29 4.400 5.037 -0.637 1
1 1 . 20 1 1 A 2 2 ILE HA H 2 3.940 3.633 0.307 1
1 11 . 20 1 1 A 3 3 VAL H H 3 8.180 8.071 0.109 1
1 12 . 20 1 1 A 3 3 VAL HA H 3 3.620 3.822 -0.202 1
1 20 . 20 1 1 A 4 4 GLU HA H 4 4.170 3.969 0.201 1
1 25 . 20 1 1 A 5 5 GLN H H 5 8.180 7.928 0.252 1
1 26 . 20 1 1 A 5 5 GLN HA H 5 4.140 4.372 -0.232 1
1 33 . 20 1 1 A 6 6 CYS H H 6 8.250 8.327 -0.077 1
1 34 . 20 1 1 A 6 6 CYS HA H 6 5.070 4.673 0.397 1
1 37 . 20 1 1 A 7 7 CYS H H 7 8.270 8.188 0.082 1
1 38 . 20 1 1 A 7 7 CYS HA H 7 4.860 4.786 0.074 1
1 41 . 20 1 1 A 8 8 THR HA H 8 4.180 4.365 -0.185 1
1 46 . 20 1 1 A 9 9 SER H H 9 8.210 8.081 0.129 1
1 47 . 20 1 1 A 9 9 SER HA H 9 4.650 4.765 -0.115 1
1 50 . 20 1 1 A 10 10 ILE HA H 10 4.280 4.810 -0.530 1
1 59 . 20 1 1 A 11 11 CYS HA H 11 4.920 5.239 -0.319 1
1 62 . 20 1 1 A 12 12 SER H H 12 8.200 8.628 -0.428 1
1 63 . 20 1 1 A 12 12 SER HA H 12 4.660 4.960 -0.300 1
1 66 . 20 1 1 A 13 13 LEU H H 13 8.220 8.704 -0.484 1
1 67 . 20 1 1 A 13 13 LEU HA H 13 3.970 4.037 -0.067 1
1 77 . 20 1 1 A 14 14 TYR H H 14 7.650 7.930 -0.280 1
1 78 . 20 1 1 A 14 14 TYR HA H 14 4.400 4.353 0.047 1
1 85 . 20 1 1 A 15 15 GLN H H 15 7.530 7.408 0.122 1
1 86 . 20 1 1 A 15 15 GLN HA H 15 4.030 3.431 0.599 1
1 93 . 20 1 1 A 16 16 LEU H H 16 7.860 7.182 0.678 1
1 94 . 20 1 1 A 16 16 LEU HA H 16 4.190 3.504 0.686 1
1 104 . 20 1 1 A 17 17 GLU H H 17 8.020 8.024 -0.004 1
1 105 . 20 1 1 A 17 17 GLU HA H 17 4.120 3.987 0.133 1
1 110 . 20 1 1 A 18 18 ASN H H 18 7.470 7.638 -0.168 1
1 111 . 20 1 1 A 18 18 ASN HA H 18 4.500 4.636 -0.136 1
1 116 . 20 1 1 A 19 19 TYR H H 19 7.940 7.324 0.616 1
1 117 . 20 1 1 A 19 19 TYR HA H 19 4.570 4.242 0.328 1
1 124 . 20 1 1 A 20 20 CYS H H 20 7.520 7.633 -0.113 1
1 125 . 20 1 1 A 20 20 CYS HA H 20 4.730 4.430 0.300 1
1 142 . 20 2 2 B 2 2 VAL H H 2 8.340 7.890 0.450 1
1 143 . 20 2 2 B 2 2 VAL HA H 2 4.050 4.463 -0.413 1
1 151 . 20 2 2 B 3 3 ASN H H 3 8.480 8.928 -0.448 1
1 152 . 20 2 2 B 3 3 ASN HA H 3 4.600 5.005 -0.405 1
1 157 . 20 2 2 B 4 4 GLN HA H 4 4.500 4.807 -0.307 1
1 164 . 20 2 2 B 5 5 HIS H H 5 8.440 8.836 -0.396 1
1 165 . 20 2 2 B 5 5 HIS HA H 5 4.470 4.827 -0.357 1
1 170 . 20 2 2 B 6 6 LEU H H 6 8.840 8.508 0.332 1
1 171 . 20 2 2 B 6 6 LEU HA H 6 4.560 4.549 0.011 1
1 181 . 20 2 2 B 7 7 CYS H H 7 8.680 7.768 0.912 1
1 182 . 20 2 2 B 7 7 CYS HA H 7 4.910 4.200 0.710 1
1 185 . 20 2 2 B 8 8 GLY HA2 H 8 4.020 3.875 0.145 1
1 186 . 20 2 2 B 8 8 GLY HA3 H 8 3.880 3.876 0.004 1
1 187 . 20 2 2 B 9 9 SER HA H 9 4.100 4.204 -0.104 1
1 190 . 20 2 2 B 10 10 ASP H H 10 8.080 8.243 -0.163 1
1 191 . 20 2 2 B 10 10 ASP HA H 10 4.460 4.557 -0.097 1
1 194 . 20 2 2 B 11 11 LEU H H 11 7.080 8.304 -1.224 1
1 195 . 20 2 2 B 11 11 LEU HA H 11 4.040 4.035 0.005 1
1 205 . 20 2 2 B 12 12 VAL H H 12 7.170 8.559 -1.389 1
1 206 . 20 2 2 B 12 12 VAL HA H 12 3.430 3.865 -0.435 1
1 214 . 20 2 2 B 13 13 GLU H H 13 8.050 8.135 -0.085 1
1 215 . 20 2 2 B 13 13 GLU HA H 13 4.090 4.195 -0.105 1
1 220 . 20 2 2 B 14 14 ALA H H 14 7.760 7.830 -0.070 1
1 221 . 20 2 2 B 14 14 ALA HA H 14 4.100 4.187 -0.087 1
1 225 . 20 2 2 B 15 15 LEU H H 15 8.050 7.924 0.126 1
1 226 . 20 2 2 B 15 15 LEU HA H 15 3.970 4.051 -0.081 1
1 236 . 20 2 2 B 16 16 TYR H H 16 7.860 8.222 -0.362 1
1 237 . 20 2 2 B 16 16 TYR HA H 16 4.220 4.299 -0.079 1
1 244 . 20 2 2 B 17 17 LEU H H 17 7.790 7.481 0.309 1
1 245 . 20 2 2 B 17 17 LEU HA H 17 4.110 3.490 0.620 1
1 255 . 20 2 2 B 18 18 VAL H H 18 8.250 7.938 0.312 1
1 256 . 20 2 2 B 18 18 VAL HA H 18 3.860 3.608 0.252 1
1 264 . 20 2 2 B 19 19 CYS H H 19 8.720 7.705 1.015 1
1 265 . 20 2 2 B 19 19 CYS HA H 19 4.770 4.163 0.607 1
1 268 . 20 2 2 B 20 20 GLY H H 20 7.930 7.827 0.103 1
1 269 . 20 2 2 B 20 20 GLY HA2 H 20 3.960 3.996 -0.036 1
1 270 . 20 2 2 B 20 20 GLY HA3 H 20 3.740 4.121 -0.381 1
1 271 . 20 2 2 B 21 21 GLU H H 21 8.340 8.643 -0.303 1
1 272 . 20 2 2 B 21 21 GLU HA H 21 4.220 4.039 0.181 1
1 277 . 20 2 2 B 22 22 ARG H H 22 8.060 8.497 -0.437 1
1 278 . 20 2 2 B 22 22 ARG HA H 22 4.300 3.849 0.451 1
1 301 . 20 2 2 B 26 26 TYR H H 26 7.980 7.664 0.316 1
1 302 . 20 2 2 B 26 26 TYR HA H 26 4.610 4.323 0.287 1
1 309 . 20 2 2 B 27 27 THR H H 27 7.840 7.927 -0.087 1
1 310 . 20 2 2 B 27 27 THR HA H 27 4.310 4.956 -0.646 1
1 315 . 20 2 2 B 28 28 LYS H H 28 8.160 8.829 -0.669 1
1 316 . 20 2 2 B 28 28 LYS HA H 28 4.480 4.936 -0.456 1
1 325 . 20 2 2 B 29 29 PRO HA H 29 4.400 4.862 -0.462 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 14 0.341 1
5 1 1 1 "RMS(OBS, PRED)" HA 19 0.346 1
6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1
7 1 1 2 "RMS(OBS, PRED)" C 0 0.000 1
8 1 1 2 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 1 2 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 1 2 "RMS(OBS, PRED)" H 21 0.756 1
11 1 1 2 "RMS(OBS, PRED)" HA 27 0.321 1
12 1 1 2 "RMS(OBS, PRED)" N 0 0.000 1
13 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 2 1 "RMS(OBS, PRED)" H 14 0.357 1
17 1 2 1 "RMS(OBS, PRED)" HA 19 0.249 1
18 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1
19 1 2 2 "RMS(OBS, PRED)" C 0 0.000 1
20 1 2 2 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 2 2 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 2 2 "RMS(OBS, PRED)" H 21 0.695 1
23 1 2 2 "RMS(OBS, PRED)" HA 27 0.278 1
24 1 2 2 "RMS(OBS, PRED)" N 0 0.000 1
25 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 3 1 "RMS(OBS, PRED)" H 14 0.404 1
29 1 3 1 "RMS(OBS, PRED)" HA 19 0.214 1
30 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1
31 1 3 2 "RMS(OBS, PRED)" C 0 0.000 1
32 1 3 2 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 3 2 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 3 2 "RMS(OBS, PRED)" H 21 0.693 1
35 1 3 2 "RMS(OBS, PRED)" HA 27 0.308 1
36 1 3 2 "RMS(OBS, PRED)" N 0 0.000 1
37 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 4 1 "RMS(OBS, PRED)" H 14 0.402 1
41 1 4 1 "RMS(OBS, PRED)" HA 19 0.612 1
42 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1
43 1 4 2 "RMS(OBS, PRED)" C 0 0.000 1
44 1 4 2 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 4 2 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 4 2 "RMS(OBS, PRED)" H 21 0.672 1
47 1 4 2 "RMS(OBS, PRED)" HA 27 0.289 1
48 1 4 2 "RMS(OBS, PRED)" N 0 0.000 1
49 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 5 1 "RMS(OBS, PRED)" H 14 0.295 1
53 1 5 1 "RMS(OBS, PRED)" HA 19 0.286 1
54 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1
55 1 5 2 "RMS(OBS, PRED)" C 0 0.000 1
56 1 5 2 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 5 2 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 5 2 "RMS(OBS, PRED)" H 21 0.628 1
59 1 5 2 "RMS(OBS, PRED)" HA 27 0.341 1
60 1 5 2 "RMS(OBS, PRED)" N 0 0.000 1
61 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 6 1 "RMS(OBS, PRED)" H 14 0.540 1
65 1 6 1 "RMS(OBS, PRED)" HA 19 0.352 1
66 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1
67 1 6 2 "RMS(OBS, PRED)" C 0 0.000 1
68 1 6 2 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 6 2 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 6 2 "RMS(OBS, PRED)" H 21 0.582 1
71 1 6 2 "RMS(OBS, PRED)" HA 27 0.397 1
72 1 6 2 "RMS(OBS, PRED)" N 0 0.000 1
73 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 7 1 "RMS(OBS, PRED)" H 14 0.305 1
77 1 7 1 "RMS(OBS, PRED)" HA 19 0.284 1
78 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1
79 1 7 2 "RMS(OBS, PRED)" C 0 0.000 1
80 1 7 2 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 7 2 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 7 2 "RMS(OBS, PRED)" H 21 0.653 1
83 1 7 2 "RMS(OBS, PRED)" HA 27 0.364 1
84 1 7 2 "RMS(OBS, PRED)" N 0 0.000 1
85 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 8 1 "RMS(OBS, PRED)" H 14 0.478 1
89 1 8 1 "RMS(OBS, PRED)" HA 19 0.313 1
90 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1
91 1 8 2 "RMS(OBS, PRED)" C 0 0.000 1
92 1 8 2 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 8 2 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 8 2 "RMS(OBS, PRED)" H 21 0.666 1
95 1 8 2 "RMS(OBS, PRED)" HA 27 0.303 1
96 1 8 2 "RMS(OBS, PRED)" N 0 0.000 1
97 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 9 1 "RMS(OBS, PRED)" H 14 0.462 1
101 1 9 1 "RMS(OBS, PRED)" HA 19 0.272 1
102 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1
103 1 9 2 "RMS(OBS, PRED)" C 0 0.000 1
104 1 9 2 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 9 2 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 9 2 "RMS(OBS, PRED)" H 21 0.625 1
107 1 9 2 "RMS(OBS, PRED)" HA 27 0.301 1
108 1 9 2 "RMS(OBS, PRED)" N 0 0.000 1
109 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 10 1 "RMS(OBS, PRED)" H 14 0.386 1
113 1 10 1 "RMS(OBS, PRED)" HA 19 0.290 1
114 1 10 1 "RMS(OBS, PRED)" N 0 0.000 1
115 1 10 2 "RMS(OBS, PRED)" C 0 0.000 1
116 1 10 2 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 10 2 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 10 2 "RMS(OBS, PRED)" H 21 0.563 1
119 1 10 2 "RMS(OBS, PRED)" HA 27 0.271 1
120 1 10 2 "RMS(OBS, PRED)" N 0 0.000 1
121 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
122 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
123 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
124 1 11 1 "RMS(OBS, PRED)" H 14 0.408 1
125 1 11 1 "RMS(OBS, PRED)" HA 19 0.240 1
126 1 11 1 "RMS(OBS, PRED)" N 0 0.000 1
127 1 11 2 "RMS(OBS, PRED)" C 0 0.000 1
128 1 11 2 "RMS(OBS, PRED)" CA 0 0.000 1
129 1 11 2 "RMS(OBS, PRED)" CB 0 0.000 1
130 1 11 2 "RMS(OBS, PRED)" H 21 0.668 1
131 1 11 2 "RMS(OBS, PRED)" HA 27 0.302 1
132 1 11 2 "RMS(OBS, PRED)" N 0 0.000 1
133 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
134 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
135 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
136 1 12 1 "RMS(OBS, PRED)" H 14 0.392 1
137 1 12 1 "RMS(OBS, PRED)" HA 19 0.300 1
138 1 12 1 "RMS(OBS, PRED)" N 0 0.000 1
139 1 12 2 "RMS(OBS, PRED)" C 0 0.000 1
140 1 12 2 "RMS(OBS, PRED)" CA 0 0.000 1
141 1 12 2 "RMS(OBS, PRED)" CB 0 0.000 1
142 1 12 2 "RMS(OBS, PRED)" H 21 0.646 1
143 1 12 2 "RMS(OBS, PRED)" HA 27 0.359 1
144 1 12 2 "RMS(OBS, PRED)" N 0 0.000 1
145 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
146 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
147 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
148 1 13 1 "RMS(OBS, PRED)" H 14 0.360 1
149 1 13 1 "RMS(OBS, PRED)" HA 19 0.289 1
150 1 13 1 "RMS(OBS, PRED)" N 0 0.000 1
151 1 13 2 "RMS(OBS, PRED)" C 0 0.000 1
152 1 13 2 "RMS(OBS, PRED)" CA 0 0.000 1
153 1 13 2 "RMS(OBS, PRED)" CB 0 0.000 1
154 1 13 2 "RMS(OBS, PRED)" H 21 0.618 1
155 1 13 2 "RMS(OBS, PRED)" HA 27 0.326 1
156 1 13 2 "RMS(OBS, PRED)" N 0 0.000 1
157 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
158 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
159 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
160 1 14 1 "RMS(OBS, PRED)" H 14 0.341 1
161 1 14 1 "RMS(OBS, PRED)" HA 19 0.297 1
162 1 14 1 "RMS(OBS, PRED)" N 0 0.000 1
163 1 14 2 "RMS(OBS, PRED)" C 0 0.000 1
164 1 14 2 "RMS(OBS, PRED)" CA 0 0.000 1
165 1 14 2 "RMS(OBS, PRED)" CB 0 0.000 1
166 1 14 2 "RMS(OBS, PRED)" H 21 0.602 1
167 1 14 2 "RMS(OBS, PRED)" HA 27 0.319 1
168 1 14 2 "RMS(OBS, PRED)" N 0 0.000 1
169 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
170 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
171 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
172 1 15 1 "RMS(OBS, PRED)" H 14 0.306 1
173 1 15 1 "RMS(OBS, PRED)" HA 19 0.399 1
174 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1
175 1 15 2 "RMS(OBS, PRED)" C 0 0.000 1
176 1 15 2 "RMS(OBS, PRED)" CA 0 0.000 1
177 1 15 2 "RMS(OBS, PRED)" CB 0 0.000 1
178 1 15 2 "RMS(OBS, PRED)" H 21 0.612 1
179 1 15 2 "RMS(OBS, PRED)" HA 27 0.276 1
180 1 15 2 "RMS(OBS, PRED)" N 0 0.000 1
181 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
182 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
183 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
184 1 16 1 "RMS(OBS, PRED)" H 14 0.369 1
185 1 16 1 "RMS(OBS, PRED)" HA 19 0.292 1
186 1 16 1 "RMS(OBS, PRED)" N 0 0.000 1
187 1 16 2 "RMS(OBS, PRED)" C 0 0.000 1
188 1 16 2 "RMS(OBS, PRED)" CA 0 0.000 1
189 1 16 2 "RMS(OBS, PRED)" CB 0 0.000 1
190 1 16 2 "RMS(OBS, PRED)" H 21 0.621 1
191 1 16 2 "RMS(OBS, PRED)" HA 27 0.320 1
192 1 16 2 "RMS(OBS, PRED)" N 0 0.000 1
193 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
194 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
195 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
196 1 17 1 "RMS(OBS, PRED)" H 14 0.335 1
197 1 17 1 "RMS(OBS, PRED)" HA 19 0.379 1
198 1 17 1 "RMS(OBS, PRED)" N 0 0.000 1
199 1 17 2 "RMS(OBS, PRED)" C 0 0.000 1
200 1 17 2 "RMS(OBS, PRED)" CA 0 0.000 1
201 1 17 2 "RMS(OBS, PRED)" CB 0 0.000 1
202 1 17 2 "RMS(OBS, PRED)" H 21 0.666 1
203 1 17 2 "RMS(OBS, PRED)" HA 27 0.316 1
204 1 17 2 "RMS(OBS, PRED)" N 0 0.000 1
205 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
206 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
207 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
208 1 18 1 "RMS(OBS, PRED)" H 14 0.288 1
209 1 18 1 "RMS(OBS, PRED)" HA 19 0.280 1
210 1 18 1 "RMS(OBS, PRED)" N 0 0.000 1
211 1 18 2 "RMS(OBS, PRED)" C 0 0.000 1
212 1 18 2 "RMS(OBS, PRED)" CA 0 0.000 1
213 1 18 2 "RMS(OBS, PRED)" CB 0 0.000 1
214 1 18 2 "RMS(OBS, PRED)" H 21 0.615 1
215 1 18 2 "RMS(OBS, PRED)" HA 27 0.315 1
216 1 18 2 "RMS(OBS, PRED)" N 0 0.000 1
217 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
218 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
219 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
220 1 19 1 "RMS(OBS, PRED)" H 14 0.314 1
221 1 19 1 "RMS(OBS, PRED)" HA 19 0.367 1
222 1 19 1 "RMS(OBS, PRED)" N 0 0.000 1
223 1 19 2 "RMS(OBS, PRED)" C 0 0.000 1
224 1 19 2 "RMS(OBS, PRED)" CA 0 0.000 1
225 1 19 2 "RMS(OBS, PRED)" CB 0 0.000 1
226 1 19 2 "RMS(OBS, PRED)" H 21 0.566 1
227 1 19 2 "RMS(OBS, PRED)" HA 27 0.351 1
228 1 19 2 "RMS(OBS, PRED)" N 0 0.000 1
229 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
230 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
231 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
232 1 20 1 "RMS(OBS, PRED)" H 14 0.339 1
233 1 20 1 "RMS(OBS, PRED)" HA 19 0.332 1
234 1 20 1 "RMS(OBS, PRED)" N 0 0.000 1
235 1 20 2 "RMS(OBS, PRED)" C 0 0.000 1
236 1 20 2 "RMS(OBS, PRED)" CA 0 0.000 1
237 1 20 2 "RMS(OBS, PRED)" CB 0 0.000 1
238 1 20 2 "RMS(OBS, PRED)" H 21 0.599 1
239 1 20 2 "RMS(OBS, PRED)" HA 27 0.361 1
240 1 20 2 "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 41 . 1 1 A 8 8 THR HA H 8 4.180 4.398 -0.218 2
1 46 . 1 1 A 9 9 SER H H 9 8.210 8.006 0.204 2
1 125 . 1 1 A 20 20 CYS HA H 20 4.730 4.632 0.098 2
1 142 . 2 2 B 2 2 VAL H H 2 8.340 8.386 -0.046 2
1 143 . 2 2 B 2 2 VAL HA H 2 4.050 4.148 -0.098 2
1 151 . 2 2 B 3 3 ASN H H 3 8.480 8.333 0.147 2
1 152 . 2 2 B 3 3 ASN HA H 3 4.600 4.350 0.250 2
1 157 . 2 2 B 4 4 GLN HA H 4 4.500 4.353 0.147 2
1 164 . 2 2 B 5 5 HIS H H 5 8.440 8.448 -0.008 2
1 165 . 2 2 B 5 5 HIS HA H 5 4.470 4.553 -0.083 2
1 170 . 2 2 B 6 6 LEU H H 6 8.840 8.502 0.338 2
1 171 . 2 2 B 6 6 LEU HA H 6 4.560 4.599 -0.039 2
1 181 . 2 2 B 7 7 CYS H H 7 8.680 8.054 0.626 2
1 182 . 2 2 B 7 7 CYS HA H 7 4.910 4.516 0.394 2
1 185 . 2 2 B 8 8 GLY HA2 H 8 4.020 3.891 0.129 2
1 186 . 2 2 B 8 8 GLY HA3 H 8 3.880 3.898 -0.019 2
1 187 . 2 2 B 9 9 SER HA H 9 4.100 4.466 -0.366 2
1 190 . 2 2 B 10 10 ASP H H 10 8.080 7.779 0.301 2
1 191 . 2 2 B 10 10 ASP HA H 10 4.460 4.640 -0.180 2
1 194 . 2 2 B 11 11 LEU H H 11 7.080 8.433 -1.353 2
1 195 . 2 2 B 11 11 LEU HA H 11 4.040 4.644 -0.604 2
1 205 . 2 2 B 12 12 VAL H H 12 7.170 8.473 -1.303 2
1 206 . 2 2 B 12 12 VAL HA H 12 3.430 4.393 -0.963 2
1 214 . 2 2 B 13 13 GLU H H 13 8.050 8.360 -0.310 2
1 215 . 2 2 B 13 13 GLU HA H 13 4.090 4.080 0.010 2
1 220 . 2 2 B 14 14 ALA H H 14 7.760 7.832 -0.072 2
1 221 . 2 2 B 14 14 ALA HA H 14 4.100 4.228 -0.128 2
1 225 . 2 2 B 15 15 LEU H H 15 8.050 7.611 0.439 2
1 226 . 2 2 B 15 15 LEU HA H 15 3.970 3.851 0.119 2
1 236 . 2 2 B 16 16 TYR H H 16 7.860 7.723 0.137 2
1 237 . 2 2 B 16 16 TYR HA H 16 4.220 3.797 0.423 2
1 244 . 2 2 B 17 17 LEU H H 17 7.790 7.784 0.006 2
1 245 . 2 2 B 17 17 LEU HA H 17 4.110 3.740 0.370 2
1 255 . 2 2 B 18 18 VAL H H 18 8.250 7.687 0.563 2
1 256 . 2 2 B 18 18 VAL HA H 18 3.860 4.149 -0.289 2
1 264 . 2 2 B 19 19 CYS H H 19 8.720 7.640 1.080 2
1 265 . 2 2 B 19 19 CYS HA H 19 4.770 4.377 0.393 2
1 268 . 2 2 B 20 20 GLY H H 20 7.930 7.911 0.019 2
1 269 . 2 2 B 20 20 GLY HA2 H 20 3.960 3.830 0.130 2
1 270 . 2 2 B 20 20 GLY HA3 H 20 3.740 3.968 -0.228 2
1 271 . 2 2 B 21 21 GLU H H 21 8.340 8.435 -0.095 2
1 272 . 2 2 B 21 21 GLU HA H 21 4.220 4.439 -0.219 2
1 277 . 2 2 B 22 22 ARG H H 22 8.060 8.013 0.047 2
1 278 . 2 2 B 22 22 ARG HA H 22 4.300 4.229 0.071 2
1 301 . 2 2 B 26 26 TYR H H 26 7.980 7.912 0.068 2
1 302 . 2 2 B 26 26 TYR HA H 26 4.610 4.380 0.230 2
1 309 . 2 2 B 27 27 THR H H 27 7.840 8.154 -0.314 2
1 310 . 2 2 B 27 27 THR HA H 27 4.310 4.694 -0.384 2
1 315 . 2 2 B 28 28 LYS H H 28 8.160 8.283 -0.123 2
1 316 . 2 2 B 28 28 LYS HA H 28 4.480 4.554 -0.074 2
1 325 . 2 2 B 29 29 PRO HA H 29 4.400 4.662 -0.262 2
stop_
save_