data_nef_c25694_2n55 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2N55 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 11 CYS SG 1 36 CYS SG 1 13 CYS SG 1 52 CYS SG 1 57 CYS SG 1 60 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -1 GLY start . false 2 A 0 MET middle . . 3 A 1 LYS middle . . 4 A 2 PRO middle . false 5 A 3 VAL middle . . 6 A 4 SER middle . . 7 A 5 LEU middle . . 8 A 6 SER middle . . 9 A 7 TYR middle . . 10 A 8 ARG middle . . 11 A 9 CYS middle -HG . 12 A 10 PRO middle . false 13 A 11 CYS middle -HG . 14 A 12 ARG middle . . 15 A 13 PHE middle . . 16 A 14 PHE middle . . 17 A 15 GLU middle . . 18 A 16 SER middle . . 19 A 17 HIS middle . . 20 A 18 VAL middle . . 21 A 19 ALA middle . . 22 A 20 ARG middle . . 23 A 21 ALA middle . . 24 A 22 ASN middle . . 25 A 23 VAL middle . . 26 A 24 LYS middle . . 27 A 25 HIS middle . . 28 A 26 LEU middle . . 29 A 27 LYS middle . . 30 A 28 ILE middle . . 31 A 29 LEU middle . . 32 A 30 ASN middle . . 33 A 31 THR middle . . 34 A 32 PRO middle . false 35 A 33 ASN middle . . 36 A 34 CYS middle -HG . 37 A 35 ALA middle . . 38 A 36 LEU middle . . 39 A 37 GLN middle . . 40 A 38 ILE middle . . 41 A 39 VAL middle . . 42 A 40 ALA middle . . 43 A 41 ARG middle . . 44 A 42 LEU middle . . 45 A 43 LYS middle . . 46 A 44 ASN middle . . 47 A 45 ASN middle . . 48 A 46 ASN middle . . 49 A 47 ARG middle . . 50 A 48 GLN middle . . 51 A 49 VAL middle . . 52 A 50 CYS middle -HG . 53 A 51 ILE middle . . 54 A 52 ASP middle . . 55 A 53 PRO middle . false 56 A 54 LYS middle . . 57 A 55 CYS middle -HG . 58 A 56 LYS middle . . 59 A 57 TRP middle . . 60 A 58 CYS middle -HG . 61 A 59 GLN middle . . 62 A 60 GLU middle . . 63 A 61 TYR middle . . 64 A 62 LEU middle . . 65 A 63 GLU middle . . 66 A 64 LYS middle . . 67 A 65 ALA middle . . 68 A 66 LEU middle . . 69 A 67 ASN middle . . 70 A 68 LYS end . . 71 B 199 GLY start . false 72 B 200 SER middle . . 73 B 201 MET middle . . 74 B 202 GLU middle . . 75 B 203 GLY middle . false 76 B 204 ILE middle . . 77 B 205 SER middle . . 78 B 206 ILE middle . . 79 B 207 TYR middle . . 80 B 208 THR middle . . 81 B 209 SER middle . . 82 B 210 ASP middle . . 83 B 211 ASN middle . . 84 B 212 TYR middle . . 85 B 213 THR middle . . 86 B 214 GLU middle . . 87 B 215 GLU middle . . 88 B 216 MET middle . . 89 B 217 GLY middle . false 90 B 218 SER middle . . 91 B 219 GLY middle . false 92 B 220 ASP middle . . 93 B 221 TYR middle . . 94 B 222 ASP middle . . 95 B 223 SER middle . . 96 B 224 MET middle . . 97 B 225 LYS middle . . 98 B 226 GLU middle . . 99 B 227 PRO middle . false 100 B 228 ALA middle . . 101 B 229 PHE middle . . 102 B 230 ARG middle . . 103 B 231 GLU middle . . 104 B 232 GLU middle . . 105 B 233 ASN middle . . 106 B 234 ALA middle . . 107 B 235 ASN middle . . 108 B 236 PHE middle . . 109 B 237 ASN middle . . 110 B 238 LYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A -1 GLY HAy H 1 3.857 0.000 A -1 GLY HAx H 1 3.764 0.000 A -1 GLY CA C 13 44.132 0.000 A 0 MET HA H 1 4.501 0.008 A 0 MET HBx H 1 2.020 0.000 A 0 MET HBy H 1 2.076 0.000 A 0 MET HE% H 1 2.119 0.000 A 0 MET HG2 H 1 2.594 0.000 A 0 MET HG3 H 1 2.594 0.000 A 0 MET C C 13 176.102 0.000 A 0 MET CA C 13 55.781 0.000 A 0 MET CB C 13 33.455 0.000 A 0 MET CE C 13 17.283 0.000 A 0 MET CG C 13 32.161 0.000 A 1 LYS H H 1 8.503 0.000 A 1 LYS HA H 1 4.638 0.000 A 1 LYS HBx H 1 1.758 0.000 A 1 LYS HBy H 1 1.834 0.000 A 1 LYS HD2 H 1 1.697 0.006 A 1 LYS HD3 H 1 1.697 0.006 A 1 LYS HE2 H 1 3.012 0.007 A 1 LYS HE3 H 1 3.012 0.007 A 1 LYS HG2 H 1 1.494 0.002 A 1 LYS HG3 H 1 1.494 0.002 A 1 LYS CA C 13 54.486 0.000 A 1 LYS CB C 13 32.808 0.000 A 1 LYS CD C 13 28.872 0.000 A 1 LYS CE C 13 42.003 0.000 A 1 LYS CG C 13 24.854 0.000 A 1 LYS N N 15 124.708 0.000 A 2 PRO HA H 1 4.484 0.000 A 2 PRO HBy H 1 2.298 0.000 A 2 PRO HBx H 1 1.898 0.000 A 2 PRO HDx H 1 3.657 0.000 A 2 PRO HDy H 1 3.870 0.000 A 2 PRO HG2 H 1 2.041 0.000 A 2 PRO HG3 H 1 2.041 0.000 A 2 PRO C C 13 177.031 0.000 A 2 PRO CA C 13 63.200 0.000 A 2 PRO CB C 13 32.161 0.000 A 2 PRO CD C 13 50.905 0.000 A 2 PRO CG C 13 27.587 0.000 A 3 VAL H H 1 8.290 0.000 A 3 VAL HA H 1 4.119 0.000 A 3 VAL HB H 1 2.084 0.000 A 3 VAL HG1% H 1 0.967 0.000 A 3 VAL HG2% H 1 0.967 0.000 A 3 VAL C C 13 176.393 0.000 A 3 VAL CA C 13 62.495 0.000 A 3 VAL CB C 13 33.100 0.000 A 3 VAL CG1 C 13 21.150 0.000 A 3 VAL N N 15 120.641 0.000 A 4 SER H H 1 8.349 0.000 A 4 SER HA H 1 4.470 0.000 A 4 SER HB2 H 1 3.857 0.000 A 4 SER HB3 H 1 3.857 0.000 A 4 SER C C 13 174.617 0.000 A 4 SER CA C 13 58.369 0.000 A 4 SER CB C 13 64.187 0.000 A 4 SER N N 15 119.097 0.000 A 5 LEU H H 1 8.339 0.000 A 5 LEU HA H 1 4.380 0.000 A 5 LEU HB2 H 1 1.521 0.010 A 5 LEU HB3 H 1 1.521 0.010 A 5 LEU HD1% H 1 0.899 0.000 A 5 LEU HD2% H 1 0.899 0.000 A 5 LEU HG H 1 1.639 0.011 A 5 LEU C C 13 177.355 0.000 A 5 LEU CA C 13 55.388 0.000 A 5 LEU CB C 13 42.515 0.000 A 5 LEU CD1 C 13 25.329 0.000 A 5 LEU CG C 13 27.585 0.056 A 5 LEU N N 15 124.723 0.000 A 6 SER H H 1 8.199 0.000 A 6 SER HA H 1 4.414 0.000 A 6 SER HB2 H 1 3.812 0.000 A 6 SER HB3 H 1 3.812 0.000 A 6 SER C C 13 174.235 0.000 A 6 SER CA C 13 58.369 0.000 A 6 SER CB C 13 64.187 0.000 A 6 SER N N 15 115.926 0.000 A 7 TYR H H 1 8.049 0.000 A 7 TYR HA H 1 4.576 0.000 A 7 TYR HBx H 1 2.937 0.000 A 7 TYR HBy H 1 3.073 0.000 A 7 TYR HD1 H 1 7.109 0.000 A 7 TYR HD2 H 1 7.109 0.000 A 7 TYR HE1 H 1 6.822 0.000 A 7 TYR HE2 H 1 6.822 0.000 A 7 TYR C C 13 175.530 0.000 A 7 TYR CA C 13 58.008 0.000 A 7 TYR CB C 13 38.969 0.055 A 7 TYR CD2 C 13 133.345 0.000 A 7 TYR CE2 C 13 118.588 0.000 A 7 TYR N N 15 122.124 0.000 A 8 ARG H H 1 8.177 0.000 A 8 ARG HA H 1 4.326 0.000 A 8 ARG HBx H 1 1.701 0.000 A 8 ARG HBy H 1 1.822 0.000 A 8 ARG HD2 H 1 3.154 0.000 A 8 ARG HD3 H 1 3.154 0.000 A 8 ARG HG2 H 1 1.534 0.000 A 8 ARG HG3 H 1 1.534 0.000 A 8 ARG C C 13 175.845 0.000 A 8 ARG CA C 13 56.104 0.000 A 8 ARG CB C 13 31.100 0.000 A 8 ARG CD C 13 43.400 0.000 A 8 ARG CG C 13 27.118 0.000 A 8 ARG N N 15 121.947 0.000 A 9 CYS H H 1 8.173 0.000 A 9 CYS HA H 1 4.954 0.000 A 9 CYS HBy H 1 3.309 0.000 A 9 CYS HBx H 1 2.774 0.000 A 9 CYS CA C 13 53.127 0.000 A 9 CYS CB C 13 40.218 0.000 A 9 CYS N N 15 120.943 0.000 A 10 PRO HA H 1 4.352 0.000 A 10 PRO HBy H 1 2.269 0.000 A 10 PRO HBx H 1 1.892 0.000 A 10 PRO HD2 H 1 3.828 0.000 A 10 PRO HD3 H 1 3.828 0.000 A 10 PRO HG2 H 1 2.038 0.000 A 10 PRO HG3 H 1 2.038 0.000 A 10 PRO C C 13 177.347 0.000 A 10 PRO CA C 13 64.859 0.000 A 10 PRO CB C 13 32.508 0.000 A 10 PRO CD C 13 50.920 0.000 A 10 PRO CG C 13 27.626 0.014 A 11 CYS H H 1 8.232 0.000 A 11 CYS HA H 1 4.725 0.008 A 11 CYS HBx H 1 2.794 0.000 A 11 CYS HBy H 1 2.975 0.000 A 11 CYS CA C 13 53.429 0.000 A 11 CYS CB C 13 39.279 0.000 A 11 CYS N N 15 114.096 0.000 A 12 ARG HA H 1 4.069 0.000 A 12 ARG HB2 H 1 1.542 0.000 A 12 ARG HB3 H 1 1.542 0.000 A 12 ARG HD2 H 1 3.018 0.000 A 12 ARG HD3 H 1 3.018 0.000 A 12 ARG HGx H 1 1.250 0.005 A 12 ARG HGy H 1 1.351 0.000 A 12 ARG C C 13 175.106 0.000 A 12 ARG CA C 13 57.000 0.000 A 12 ARG CB C 13 31.500 0.000 A 12 ARG CD C 13 43.350 0.000 A 12 ARG CG C 13 26.900 0.010 A 13 PHE H H 1 7.572 0.000 A 13 PHE HA H 1 4.630 0.000 A 13 PHE HBx H 1 2.825 0.000 A 13 PHE HBy H 1 3.138 0.000 A 13 PHE HD1 H 1 7.213 0.000 A 13 PHE HD2 H 1 7.213 0.000 A 13 PHE HE1 H 1 7.345 0.000 A 13 PHE HE2 H 1 7.345 0.000 A 13 PHE C C 13 174.227 0.000 A 13 PHE CA C 13 55.971 0.000 A 13 PHE CB C 13 41.059 0.000 A 13 PHE CD2 C 13 132.565 0.000 A 13 PHE CE2 C 13 131.789 0.000 A 13 PHE N N 15 116.259 0.000 A 14 PHE H H 1 8.450 0.000 A 14 PHE HA H 1 4.936 0.000 A 14 PHE HB2 H 1 2.837 0.013 A 14 PHE HB3 H 1 2.837 0.013 A 14 PHE HD1 H 1 7.030 0.000 A 14 PHE HD2 H 1 7.030 0.000 A 14 PHE HE1 H 1 7.295 0.000 A 14 PHE HE2 H 1 7.295 0.000 A 14 PHE C C 13 175.496 0.000 A 14 PHE CA C 13 56.147 0.066 A 14 PHE CB C 13 41.544 0.000 A 14 PHE CD2 C 13 132.047 0.000 A 14 PHE CE2 C 13 131.789 0.000 A 14 PHE N N 15 119.623 0.000 A 15 GLU H H 1 8.956 0.000 A 15 GLU HA H 1 4.635 0.000 A 15 GLU HBy H 1 2.115 0.001 A 15 GLU HBx H 1 1.893 0.013 A 15 GLU HGx H 1 2.299 0.002 A 15 GLU HGy H 1 2.416 0.000 A 15 GLU C C 13 176.990 0.000 A 15 GLU CA C 13 55.780 0.000 A 15 GLU CB C 13 31.109 0.028 A 15 GLU CG C 13 36.000 0.000 A 15 GLU N N 15 122.147 0.000 A 16 SER H H 1 8.943 0.000 A 16 SER HA H 1 4.598 0.000 A 16 SER HB2 H 1 3.727 0.013 A 16 SER HB3 H 1 3.727 0.013 A 16 SER C C 13 174.385 0.000 A 16 SER CA C 13 59.799 0.000 A 16 SER CB C 13 64.517 0.000 A 16 SER N N 15 119.943 0.000 A 17 HIS H H 1 8.649 0.000 A 17 HIS HA H 1 4.700 0.000 A 17 HIS HB2 H 1 3.225 0.000 A 17 HIS HB3 H 1 3.225 0.000 A 17 HIS HD2 H 1 7.132 0.003 A 17 HIS HE1 H 1 8.023 0.000 A 17 HIS C C 13 174.567 0.000 A 17 HIS CA C 13 56.751 0.000 A 17 HIS CB C 13 29.896 0.000 A 17 HIS CD2 C 13 120.141 0.000 A 17 HIS CE1 C 13 138.260 0.000 A 17 HIS N N 15 119.124 0.000 A 18 VAL H H 1 7.876 0.000 A 18 VAL HA H 1 4.157 0.000 A 18 VAL HB H 1 2.011 0.000 A 18 VAL HG1% H 1 0.930 0.000 A 18 VAL HG2% H 1 0.930 0.000 A 18 VAL C C 13 175.140 0.000 A 18 VAL CA C 13 61.928 0.000 A 18 VAL CB C 13 33.700 0.000 A 18 VAL CG1 C 13 22.130 0.000 A 18 VAL N N 15 121.960 0.000 A 19 ALA H H 1 8.843 0.000 A 19 ALA HA H 1 4.515 0.000 A 19 ALA HB% H 1 1.441 0.000 A 19 ALA C C 13 178.060 0.000 A 19 ALA CA C 13 51.500 0.000 A 19 ALA CB C 13 18.884 0.000 A 19 ALA N N 15 132.226 0.000 A 20 ARG H H 1 8.196 0.000 A 20 ARG HA H 1 2.837 0.000 A 20 ARG HBy H 1 1.135 0.000 A 20 ARG HBx H 1 0.202 0.000 A 20 ARG HDx H 1 2.218 0.000 A 20 ARG HDy H 1 2.380 0.000 A 20 ARG HGx H 1 0.635 0.000 A 20 ARG HGy H 1 1.026 0.000 A 20 ARG C C 13 178.459 0.000 A 20 ARG CA C 13 58.639 0.000 A 20 ARG CB C 13 28.925 0.000 A 20 ARG CD C 13 42.838 0.000 A 20 ARG CG C 13 26.337 0.000 A 20 ARG N N 15 125.791 0.000 A 21 ALA H H 1 8.309 0.000 A 21 ALA HA H 1 4.082 0.000 A 21 ALA HB% H 1 1.316 0.000 A 21 ALA C C 13 177.745 0.000 A 21 ALA CA C 13 53.809 0.000 A 21 ALA CB C 13 18.884 0.000 A 21 ALA N N 15 117.396 0.000 A 22 ASN H H 1 7.796 0.000 A 22 ASN HA H 1 4.974 0.010 A 22 ASN HBy H 1 3.102 0.000 A 22 ASN HBx H 1 2.741 0.000 A 22 ASN HD2x H 1 7.117 0.000 A 22 ASN HD2y H 1 7.707 0.000 A 22 ASN C C 13 174.999 0.000 A 22 ASN CA C 13 52.590 0.000 A 22 ASN CB C 13 39.900 0.000 A 22 ASN N N 15 113.201 0.000 A 22 ASN ND2 N 15 112.423 0.000 A 23 VAL H H 1 7.477 0.000 A 23 VAL HA H 1 4.488 0.000 A 23 VAL HB H 1 2.040 0.000 A 23 VAL HGx% H 1 0.802 0.000 A 23 VAL HGy% H 1 0.799 0.000 A 23 VAL C C 13 174.393 0.000 A 23 VAL CA C 13 62.250 0.000 A 23 VAL CB C 13 33.700 0.000 A 23 VAL CG1 C 13 21.165 0.000 A 23 VAL CG2 C 13 23.101 0.000 A 23 VAL N N 15 117.829 0.000 A 24 LYS H H 1 9.276 0.000 A 24 LYS HA H 1 4.480 0.000 A 24 LYS HB2 H 1 1.511 0.000 A 24 LYS HB3 H 1 1.511 0.000 A 24 LYS HD2 H 1 1.560 0.000 A 24 LYS HD3 H 1 1.560 0.000 A 24 LYS HE2 H 1 2.866 0.000 A 24 LYS HE3 H 1 2.866 0.000 A 24 LYS HGx H 1 1.073 0.000 A 24 LYS HGy H 1 1.150 0.000 A 24 LYS C C 13 175.090 0.000 A 24 LYS CA C 13 56.104 0.000 A 24 LYS CB C 13 35.396 0.000 A 24 LYS CD C 13 29.834 0.000 A 24 LYS CE C 13 42.457 0.093 A 24 LYS CG C 13 24.674 0.000 A 24 LYS N N 15 123.962 0.000 A 25 HIS H H 1 7.964 0.000 A 25 HIS HA H 1 4.703 0.000 A 25 HIS HBx H 1 3.092 0.000 A 25 HIS HBy H 1 3.129 0.000 A 25 HIS HD2 H 1 6.899 0.000 A 25 HIS HE1 H 1 7.740 0.000 A 25 HIS C C 13 173.364 0.000 A 25 HIS CA C 13 55.781 0.000 A 25 HIS CB C 13 32.161 0.000 A 25 HIS CD2 C 13 120.141 0.000 A 25 HIS CE1 C 13 138.518 0.000 A 25 HIS N N 15 115.921 0.000 A 26 LEU H H 1 8.076 0.000 A 26 LEU HA H 1 4.968 0.011 A 26 LEU HB2 H 1 1.400 0.018 A 26 LEU HB3 H 1 1.400 0.018 A 26 LEU HDx% H 1 0.604 0.020 A 26 LEU HDy% H 1 0.542 0.007 A 26 LEU HG H 1 1.372 0.008 A 26 LEU C C 13 175.720 0.000 A 26 LEU CA C 13 55.457 0.000 A 26 LEU CB C 13 45.594 0.000 A 26 LEU CD1 C 13 25.690 0.000 A 26 LEU CD2 C 13 25.360 0.000 A 26 LEU CG C 13 27.300 0.000 A 26 LEU N N 15 122.215 0.000 A 27 LYS H H 1 9.113 0.000 A 27 LYS HA H 1 4.769 0.000 A 27 LYS HBy H 1 1.797 0.000 A 27 LYS HBx H 1 1.745 0.000 A 27 LYS HD2 H 1 1.658 0.000 A 27 LYS HD3 H 1 1.658 0.000 A 27 LYS HE2 H 1 2.885 0.000 A 27 LYS HE3 H 1 2.885 0.000 A 27 LYS HGx H 1 1.318 0.000 A 27 LYS HGy H 1 1.392 0.000 A 27 LYS C C 13 173.953 0.000 A 27 LYS CA C 13 55.130 0.000 A 27 LYS CB C 13 36.300 0.000 A 27 LYS CD C 13 29.896 0.000 A 27 LYS CE C 13 42.269 0.094 A 27 LYS CG C 13 24.700 0.000 A 27 LYS N N 15 122.738 0.000 A 28 ILE H H 1 8.535 0.000 A 28 ILE HA H 1 4.776 0.000 A 28 ILE HB H 1 1.784 0.000 A 28 ILE HD1% H 1 0.785 0.000 A 28 ILE HG1x H 1 1.055 0.000 A 28 ILE HG1y H 1 1.695 0.000 A 28 ILE HG2% H 1 0.837 0.000 A 28 ILE C C 13 175.895 0.000 A 28 ILE CA C 13 60.200 0.000 A 28 ILE CB C 13 39.200 0.000 A 28 ILE CD1 C 13 13.984 0.000 A 28 ILE CG1 C 13 28.364 0.000 A 28 ILE CG2 C 13 18.166 0.000 A 28 ILE N N 15 122.212 0.000 A 29 LEU H H 1 9.137 0.000 A 29 LEU HA H 1 4.715 0.000 A 29 LEU HBx H 1 1.579 0.000 A 29 LEU HBy H 1 1.631 0.000 A 29 LEU HD1% H 1 0.832 0.000 A 29 LEU HD2% H 1 0.832 0.000 A 29 LEU HG H 1 1.579 0.000 A 29 LEU C C 13 175.438 0.000 A 29 LEU CA C 13 54.100 0.000 A 29 LEU CB C 13 44.132 0.000 A 29 LEU CD1 C 13 24.700 0.000 A 29 LEU CG C 13 27.307 0.000 A 29 LEU N N 15 128.977 0.000 A 30 ASN H H 1 8.824 0.000 A 30 ASN HA H 1 5.145 0.002 A 30 ASN HBy H 1 2.871 0.000 A 30 ASN HBx H 1 2.497 0.000 A 30 ASN HD2x H 1 6.758 0.000 A 30 ASN HD2y H 1 7.565 0.000 A 30 ASN C C 13 174.335 0.000 A 30 ASN CA C 13 52.413 0.000 A 30 ASN CB C 13 39.600 0.000 A 30 ASN N N 15 124.331 0.000 A 30 ASN ND2 N 15 111.248 0.000 A 31 THR H H 1 8.456 0.000 A 31 THR HA H 1 4.796 0.007 A 31 THR HB H 1 4.153 0.000 A 31 THR HG2% H 1 1.255 0.000 A 31 THR CA C 13 59.600 0.000 A 31 THR CB C 13 70.459 0.000 A 31 THR CG2 C 13 22.130 0.000 A 31 THR N N 15 118.685 0.000 A 32 PRO HA H 1 4.290 0.000 A 32 PRO HBy H 1 2.334 0.000 A 32 PRO HBx H 1 1.825 0.000 A 32 PRO HDy H 1 3.873 0.000 A 32 PRO HDx H 1 3.721 0.000 A 32 PRO HGx H 1 1.993 0.000 A 32 PRO HGy H 1 2.087 0.000 A 32 PRO C C 13 177.197 0.000 A 32 PRO CA C 13 64.841 0.000 A 32 PRO CB C 13 32.170 0.000 A 32 PRO CD C 13 51.346 0.000 A 32 PRO CG C 13 27.954 0.000 A 33 ASN H H 1 8.470 0.000 A 33 ASN HA H 1 4.482 0.000 A 33 ASN HB2 H 1 2.782 0.000 A 33 ASN HB3 H 1 2.782 0.000 A 33 ASN HD2x H 1 6.966 0.000 A 33 ASN HD2y H 1 7.382 0.000 A 33 ASN C C 13 174.526 0.000 A 33 ASN CA C 13 54.945 0.000 A 33 ASN CB C 13 38.632 0.000 A 33 ASN N N 15 112.484 0.000 A 33 ASN ND2 N 15 113.785 0.000 A 34 CYS H H 1 7.663 0.000 A 34 CYS HA H 1 4.927 0.000 A 34 CYS HBx H 1 2.915 0.003 A 34 CYS HBy H 1 3.187 0.000 A 34 CYS C C 13 173.762 0.000 A 34 CYS CA C 13 54.810 0.000 A 34 CYS CB C 13 44.100 0.000 A 34 CYS N N 15 116.720 0.000 A 35 ALA H H 1 8.449 0.000 A 35 ALA HA H 1 4.297 0.000 A 35 ALA HB% H 1 1.451 0.000 A 35 ALA C C 13 176.882 0.000 A 35 ALA CA C 13 52.413 0.000 A 35 ALA CB C 13 18.968 0.000 A 35 ALA N N 15 125.254 0.000 A 36 LEU H H 1 8.073 0.000 A 36 LEU HA H 1 4.401 0.000 A 36 LEU HBx H 1 1.522 0.000 A 36 LEU HBy H 1 1.646 0.000 A 36 LEU HDx% H 1 0.914 0.000 A 36 LEU HDy% H 1 0.867 0.000 A 36 LEU HG H 1 1.586 0.000 A 36 LEU C C 13 176.442 0.000 A 36 LEU CA C 13 56.751 0.000 A 36 LEU CB C 13 42.465 0.000 A 36 LEU CD1 C 13 25.310 0.000 A 36 LEU CD2 C 13 25.366 0.000 A 36 LEU CG C 13 27.300 0.000 A 36 LEU N N 15 122.078 0.000 A 37 GLN H H 1 8.397 0.000 A 37 GLN HA H 1 4.748 0.000 A 37 GLN HBy H 1 2.135 0.008 A 37 GLN HBx H 1 2.086 0.009 A 37 GLN HE2x H 1 6.572 0.000 A 37 GLN HE2y H 1 7.497 0.000 A 37 GLN HGx H 1 2.363 0.000 A 37 GLN HGy H 1 2.480 0.000 A 37 GLN C C 13 173.804 0.000 A 37 GLN CA C 13 54.400 0.000 A 37 GLN CB C 13 32.463 0.006 A 37 GLN CG C 13 34.426 0.000 A 37 GLN N N 15 121.790 0.000 A 37 GLN NE2 N 15 109.852 0.001 A 38 ILE H H 1 9.213 0.000 A 38 ILE HA H 1 4.745 0.000 A 38 ILE HB H 1 1.844 0.007 A 38 ILE HD1% H 1 0.728 0.000 A 38 ILE HG1y H 1 1.606 0.000 A 38 ILE HG1x H 1 0.878 0.000 A 38 ILE HG2% H 1 0.746 0.000 A 38 ILE C C 13 174.808 0.000 A 38 ILE CA C 13 60.950 0.000 A 38 ILE CB C 13 39.600 0.000 A 38 ILE CD1 C 13 14.688 0.000 A 38 ILE CG1 C 13 27.612 0.023 A 38 ILE CG2 C 13 18.484 0.000 A 38 ILE N N 15 123.702 0.000 A 39 VAL H H 1 9.056 0.000 A 39 VAL HA H 1 5.016 0.000 A 39 VAL HB H 1 1.927 0.000 A 39 VAL HG1% H 1 0.914 0.000 A 39 VAL HG2% H 1 0.914 0.000 A 39 VAL C C 13 174.741 0.000 A 39 VAL CA C 13 60.950 0.000 A 39 VAL CB C 13 34.426 0.000 A 39 VAL CG1 C 13 21.807 0.000 A 39 VAL N N 15 125.930 0.000 A 40 ALA H H 1 9.335 0.000 A 40 ALA HA H 1 5.332 0.000 A 40 ALA HB% H 1 1.342 0.009 A 40 ALA C C 13 175.948 0.000 A 40 ALA CA C 13 50.280 0.000 A 40 ALA CB C 13 24.063 0.000 A 40 ALA N N 15 127.551 0.000 A 41 ARG H H 1 8.511 0.000 A 41 ARG HA H 1 5.219 0.000 A 41 ARG HBx H 1 1.511 0.000 A 41 ARG HBy H 1 1.622 0.000 A 41 ARG HD2 H 1 3.089 0.000 A 41 ARG HD3 H 1 3.089 0.000 A 41 ARG HGx H 1 1.534 0.000 A 41 ARG HGy H 1 1.625 0.000 A 41 ARG C C 13 176.310 0.000 A 41 ARG CA C 13 54.100 0.000 A 41 ARG CB C 13 32.428 0.000 A 41 ARG CD C 13 43.136 0.000 A 41 ARG CG C 13 27.641 0.000 A 41 ARG N N 15 118.658 0.000 A 42 LEU H H 1 9.038 0.000 A 42 LEU HA H 1 4.926 0.006 A 42 LEU HBx H 1 1.768 0.000 A 42 LEU HBy H 1 2.243 0.000 A 42 LEU HDx% H 1 1.045 0.000 A 42 LEU HDy% H 1 0.827 0.000 A 42 LEU HG H 1 1.840 0.000 A 42 LEU C C 13 178.475 0.000 A 42 LEU CA C 13 54.329 0.000 A 42 LEU CB C 13 41.497 0.000 A 42 LEU CD1 C 13 26.013 0.000 A 42 LEU CD2 C 13 23.029 0.000 A 42 LEU CG C 13 27.307 0.000 A 42 LEU N N 15 125.307 0.000 A 43 LYS H H 1 8.480 0.000 A 43 LYS HA H 1 3.833 0.006 A 43 LYS HBx H 1 1.694 0.000 A 43 LYS HBy H 1 1.868 0.000 A 43 LYS HD2 H 1 1.729 0.000 A 43 LYS HD3 H 1 1.729 0.000 A 43 LYS HEx H 1 2.848 0.002 A 43 LYS HEy H 1 2.951 0.000 A 43 LYS HGx H 1 1.177 0.000 A 43 LYS HGy H 1 1.274 0.000 A 43 LYS C C 13 178.342 0.000 A 43 LYS CA C 13 59.340 0.000 A 43 LYS CB C 13 33.445 0.000 A 43 LYS CD C 13 29.883 0.000 A 43 LYS CE C 13 42.500 0.000 A 43 LYS CG C 13 26.938 0.000 A 43 LYS N N 15 120.597 0.000 A 44 ASN H H 1 8.725 0.000 A 44 ASN HA H 1 4.476 0.000 A 44 ASN HBx H 1 2.845 0.000 A 44 ASN HBy H 1 2.962 0.000 A 44 ASN HD2x H 1 6.849 0.000 A 44 ASN HD2y H 1 7.673 0.000 A 44 ASN C C 13 176.032 0.000 A 44 ASN CA C 13 55.780 0.000 A 44 ASN CB C 13 37.507 0.000 A 44 ASN N N 15 114.812 0.000 A 44 ASN ND2 N 15 112.812 0.000 A 45 ASN H H 1 7.519 0.000 A 45 ASN HA H 1 4.738 0.007 A 45 ASN HBy H 1 3.060 0.000 A 45 ASN HBx H 1 2.735 0.008 A 45 ASN HD2y H 1 7.510 0.000 A 45 ASN HD2x H 1 6.548 0.000 A 45 ASN C C 13 175.513 0.000 A 45 ASN CA C 13 52.769 0.000 A 45 ASN CB C 13 39.211 0.023 A 45 ASN N N 15 115.093 0.000 A 45 ASN ND2 N 15 109.698 0.000 A 46 ASN H H 1 8.033 0.000 A 46 ASN HA H 1 4.669 0.000 A 46 ASN HBx H 1 2.720 0.000 A 46 ASN HBy H 1 3.154 0.000 A 46 ASN HD2x H 1 6.932 0.000 A 46 ASN HD2y H 1 7.623 0.000 A 46 ASN C C 13 174.816 0.000 A 46 ASN CA C 13 54.800 0.000 A 46 ASN CB C 13 39.279 0.000 A 46 ASN N N 15 116.121 0.000 A 46 ASN ND2 N 15 113.024 0.013 A 47 ARG H H 1 7.981 0.000 A 47 ARG HA H 1 4.253 0.004 A 47 ARG HBx H 1 1.698 0.000 A 47 ARG HBy H 1 1.758 0.003 A 47 ARG HDx H 1 3.103 0.000 A 47 ARG HDy H 1 3.196 0.000 A 47 ARG HG2 H 1 1.592 0.000 A 47 ARG HG3 H 1 1.592 0.000 A 47 ARG C C 13 175.845 0.000 A 47 ARG CA C 13 57.084 0.000 A 47 ARG CB C 13 31.785 0.000 A 47 ARG CD C 13 43.818 0.000 A 47 ARG CG C 13 27.954 0.000 A 47 ARG N N 15 119.917 0.000 A 48 GLN H H 1 8.737 0.000 A 48 GLN HA H 1 5.242 0.000 A 48 GLN HBy H 1 2.048 0.000 A 48 GLN HBx H 1 1.912 0.000 A 48 GLN HE2y H 1 7.500 0.000 A 48 GLN HE2x H 1 6.925 0.000 A 48 GLN HGy H 1 2.261 0.000 A 48 GLN HGx H 1 2.144 0.000 A 48 GLN C C 13 175.629 0.000 A 48 GLN CA C 13 55.780 0.000 A 48 GLN CB C 13 31.190 0.000 A 48 GLN CG C 13 35.720 0.000 A 48 GLN N N 15 123.497 0.000 A 48 GLN NE2 N 15 111.644 0.000 A 49 VAL H H 1 9.150 0.000 A 49 VAL HA H 1 4.773 0.009 A 49 VAL HB H 1 2.160 0.000 A 49 VAL HGx% H 1 0.915 0.000 A 49 VAL HGy% H 1 0.819 0.000 A 49 VAL C C 13 174.235 0.000 A 49 VAL CA C 13 59.266 0.000 A 49 VAL CB C 13 36.000 0.000 A 49 VAL CG1 C 13 21.789 0.000 A 49 VAL CG2 C 13 19.184 0.000 A 49 VAL N N 15 119.819 0.000 A 50 CYS H H 1 8.854 0.000 A 50 CYS HA H 1 5.653 0.003 A 50 CYS HBy H 1 3.677 0.007 A 50 CYS HBx H 1 3.052 0.005 A 50 CYS C C 13 174.078 0.000 A 50 CYS CA C 13 56.428 0.000 A 50 CYS CB C 13 45.270 0.000 A 50 CYS N N 15 120.721 0.000 A 51 ILE H H 1 8.934 0.000 A 51 ILE HA H 1 4.510 0.000 A 51 ILE HB H 1 1.603 0.000 A 51 ILE HD1% H 1 0.769 0.000 A 51 ILE HG1y H 1 1.381 0.000 A 51 ILE HG1x H 1 1.108 0.006 A 51 ILE HG2% H 1 0.818 0.006 A 51 ILE C C 13 174.775 0.000 A 51 ILE CA C 13 59.300 0.000 A 51 ILE CB C 13 39.603 0.000 A 51 ILE CD1 C 13 13.146 0.000 A 51 ILE CG1 C 13 27.954 0.000 A 51 ILE CG2 C 13 17.584 0.000 A 51 ILE N N 15 124.038 0.000 A 52 ASP H H 1 8.098 0.000 A 52 ASP HA H 1 3.745 0.000 A 52 ASP HBx H 1 2.324 0.000 A 52 ASP HBy H 1 2.608 0.000 A 52 ASP CA C 13 51.890 0.000 A 52 ASP CB C 13 43.162 0.000 A 52 ASP N N 15 127.393 0.000 A 53 PRO HA H 1 4.085 0.000 A 53 PRO HBx H 1 1.898 0.000 A 53 PRO HBy H 1 2.081 0.000 A 53 PRO HDy H 1 3.512 0.000 A 53 PRO HDx H 1 3.434 0.000 A 53 PRO HGy H 1 1.887 0.001 A 53 PRO HGx H 1 1.799 0.000 A 53 PRO C C 13 176.500 0.000 A 53 PRO CA C 13 64.510 0.000 A 53 PRO CB C 13 32.272 0.000 A 53 PRO CD C 13 50.927 0.000 A 53 PRO CG C 13 27.303 0.001 A 54 LYS H H 1 8.129 0.000 A 54 LYS HA H 1 4.205 0.000 A 54 LYS HBx H 1 1.646 0.000 A 54 LYS HBy H 1 1.870 0.000 A 54 LYS HD2 H 1 1.657 0.000 A 54 LYS HD3 H 1 1.657 0.000 A 54 LYS HE2 H 1 2.982 0.000 A 54 LYS HE3 H 1 2.982 0.000 A 54 LYS HGx H 1 1.299 0.000 A 54 LYS HGy H 1 1.374 0.000 A 54 LYS C C 13 176.791 0.000 A 54 LYS CA C 13 55.700 0.000 A 54 LYS CB C 13 30.800 0.000 A 54 LYS CD C 13 28.950 0.000 A 54 LYS CE C 13 41.800 0.000 A 54 LYS CG C 13 25.035 0.000 A 54 LYS N N 15 116.899 0.000 A 55 CYS H H 1 7.989 0.000 A 55 CYS HA H 1 4.397 0.000 A 55 CYS HBx H 1 3.215 0.000 A 55 CYS HBy H 1 3.348 0.000 A 55 CYS CA C 13 57.075 0.000 A 55 CYS CB C 13 41.544 0.000 A 55 CYS N N 15 119.988 0.000 A 56 LYS HA H 1 4.127 0.000 A 56 LYS HB2 H 1 2.053 0.000 A 56 LYS HB3 H 1 2.053 0.000 A 56 LYS HD2 H 1 1.825 0.000 A 56 LYS HD3 H 1 1.825 0.000 A 56 LYS HE2 H 1 3.108 0.000 A 56 LYS HE3 H 1 3.108 0.000 A 56 LYS HGx H 1 1.609 0.000 A 56 LYS HGy H 1 1.651 0.000 A 56 LYS C C 13 178.326 0.000 A 56 LYS CA C 13 60.600 0.000 A 56 LYS CB C 13 32.800 0.000 A 56 LYS CD C 13 29.092 0.000 A 56 LYS CE C 13 42.327 0.000 A 56 LYS CG C 13 25.065 0.080 A 57 TRP H H 1 7.274 0.000 A 57 TRP HA H 1 4.905 0.008 A 57 TRP HBx H 1 3.275 0.000 A 57 TRP HBy H 1 3.773 0.000 A 57 TRP HD1 H 1 7.555 0.000 A 57 TRP HE1 H 1 10.445 0.000 A 57 TRP HE3 H 1 7.409 0.005 A 57 TRP HH2 H 1 6.669 0.007 A 57 TRP HZ2 H 1 7.002 0.002 A 57 TRP HZ3 H 1 6.466 0.006 A 57 TRP C C 13 177.803 0.000 A 57 TRP CA C 13 56.240 0.000 A 57 TRP CB C 13 28.925 0.000 A 57 TRP CD1 C 13 128.682 0.000 A 57 TRP CE3 C 13 121.435 0.000 A 57 TRP CH2 C 13 124.282 0.000 A 57 TRP CZ2 C 13 114.187 0.000 A 57 TRP CZ3 C 13 121.694 0.000 A 57 TRP N N 15 114.860 0.000 A 57 TRP NE1 N 15 131.107 0.000 A 58 CYS H H 1 7.780 0.000 A 58 CYS HA H 1 3.917 0.010 A 58 CYS HBx H 1 2.210 0.000 A 58 CYS HBy H 1 3.151 0.000 A 58 CYS C C 13 175.480 0.000 A 58 CYS CA C 13 64.835 0.000 A 58 CYS CB C 13 36.367 0.000 A 58 CYS N N 15 121.960 0.000 A 59 GLN H H 1 8.073 0.000 A 59 GLN HA H 1 3.947 0.000 A 59 GLN HB2 H 1 2.172 0.000 A 59 GLN HB3 H 1 2.172 0.000 A 59 GLN HE2x H 1 6.828 0.000 A 59 GLN HE2y H 1 7.677 0.000 A 59 GLN HG2 H 1 2.461 0.000 A 59 GLN HG3 H 1 2.461 0.000 A 59 GLN C C 13 178.152 0.000 A 59 GLN CA C 13 59.663 0.000 A 59 GLN CB C 13 27.972 0.000 A 59 GLN CG C 13 33.700 0.000 A 59 GLN N N 15 119.203 0.000 A 59 GLN NE2 N 15 113.007 0.000 A 60 GLU H H 1 8.085 0.000 A 60 GLU HA H 1 4.121 0.000 A 60 GLU HBx H 1 2.066 0.000 A 60 GLU HBy H 1 2.161 0.000 A 60 GLU HG2 H 1 2.229 0.000 A 60 GLU HG3 H 1 2.229 0.000 A 60 GLU C C 13 178.367 0.000 A 60 GLU CA C 13 59.340 0.000 A 60 GLU CB C 13 29.896 0.000 A 60 GLU CG C 13 36.367 0.000 A 60 GLU N N 15 118.831 0.000 A 61 TYR H H 1 7.666 0.000 A 61 TYR HA H 1 4.330 0.000 A 61 TYR HBx H 1 3.249 0.000 A 61 TYR HBy H 1 3.316 0.000 A 61 TYR HD1 H 1 7.127 0.002 A 61 TYR HD2 H 1 7.127 0.002 A 61 TYR HE1 H 1 6.795 0.000 A 61 TYR HE2 H 1 6.795 0.000 A 61 TYR C C 13 177.629 0.000 A 61 TYR CA C 13 61.281 0.000 A 61 TYR CB C 13 38.956 0.000 A 61 TYR CD2 C 13 133.083 0.000 A 61 TYR CE2 C 13 118.588 0.000 A 61 TYR N N 15 118.802 0.000 A 62 LEU H H 1 8.275 0.000 A 62 LEU HA H 1 3.867 0.000 A 62 LEU HBx H 1 1.519 0.000 A 62 LEU HBy H 1 1.865 0.000 A 62 LEU HDx% H 1 0.875 0.000 A 62 LEU HDy% H 1 0.857 0.000 A 62 LEU HG H 1 1.827 0.000 A 62 LEU C C 13 178.724 0.000 A 62 LEU CA C 13 57.619 0.000 A 62 LEU CB C 13 42.190 0.000 A 62 LEU CD1 C 13 25.690 0.000 A 62 LEU CD2 C 13 23.700 0.000 A 62 LEU CG C 13 27.300 0.000 A 62 LEU N N 15 119.351 0.000 A 63 GLU H H 1 8.066 0.000 A 63 GLU HA H 1 3.997 0.000 A 63 GLU HBx H 1 2.076 0.000 A 63 GLU HBy H 1 2.139 0.000 A 63 GLU HGx H 1 2.277 0.000 A 63 GLU HGy H 1 2.430 0.000 A 63 GLU C C 13 178.649 0.000 A 63 GLU CA C 13 59.143 0.000 A 63 GLU CB C 13 29.896 0.000 A 63 GLU CG C 13 36.691 0.000 A 63 GLU N N 15 118.049 0.000 A 64 LYS H H 1 7.572 0.000 A 64 LYS HA H 1 4.228 0.000 A 64 LYS HB2 H 1 1.892 0.000 A 64 LYS HB3 H 1 1.892 0.000 A 64 LYS HD2 H 1 1.719 0.008 A 64 LYS HD3 H 1 1.719 0.008 A 64 LYS HE2 H 1 3.038 0.008 A 64 LYS HE3 H 1 3.038 0.008 A 64 LYS HGy H 1 1.605 0.000 A 64 LYS HGx H 1 1.504 0.000 A 64 LYS C C 13 178.085 0.000 A 64 LYS CA C 13 57.820 0.000 A 64 LYS CB C 13 32.808 0.000 A 64 LYS CD C 13 29.243 0.000 A 64 LYS CE C 13 42.515 0.000 A 64 LYS CG C 13 25.342 0.000 A 64 LYS N N 15 117.297 0.000 A 65 ALA H H 1 7.964 0.000 A 65 ALA HA H 1 4.174 0.000 A 65 ALA HB% H 1 1.254 0.000 A 65 ALA C C 13 178.707 0.000 A 65 ALA CA C 13 53.800 0.000 A 65 ALA CB C 13 19.534 0.000 A 65 ALA N N 15 121.570 0.000 A 66 LEU H H 1 7.888 0.000 A 66 LEU HA H 1 4.325 0.002 A 66 LEU HBx H 1 1.598 0.000 A 66 LEU HBy H 1 1.727 0.000 A 66 LEU HD1% H 1 0.866 0.000 A 66 LEU HD2% H 1 0.866 0.000 A 66 LEU HG H 1 1.715 0.000 A 66 LEU C C 13 177.264 0.000 A 66 LEU CA C 13 55.457 0.000 A 66 LEU CB C 13 42.500 0.000 A 66 LEU CD1 C 13 23.400 0.000 A 66 LEU CG C 13 26.984 0.000 A 66 LEU N N 15 117.399 0.000 A 67 ASN H H 1 7.959 0.000 A 67 ASN HA H 1 4.770 0.008 A 67 ASN HBx H 1 2.794 0.008 A 67 ASN HBy H 1 2.905 0.008 A 67 ASN HD2x H 1 6.935 0.000 A 67 ASN HD2y H 1 7.693 0.000 A 67 ASN C C 13 174.094 0.000 A 67 ASN CA C 13 53.434 0.000 A 67 ASN CB C 13 39.279 0.000 A 67 ASN N N 15 118.846 0.000 A 67 ASN ND2 N 15 113.201 0.000 A 68 LYS H H 1 7.800 0.000 A 68 LYS HA H 1 4.175 0.000 A 68 LYS HBx H 1 1.739 0.000 A 68 LYS HBy H 1 1.859 0.000 A 68 LYS HD2 H 1 1.681 0.008 A 68 LYS HD3 H 1 1.681 0.008 A 68 LYS HE2 H 1 2.995 0.008 A 68 LYS HE3 H 1 2.995 0.008 A 68 LYS HG2 H 1 1.412 0.000 A 68 LYS HG3 H 1 1.412 0.000 A 68 LYS CA C 13 57.899 0.000 A 68 LYS CB C 13 33.779 0.000 A 68 LYS CD C 13 29.243 0.000 A 68 LYS CE C 13 42.500 0.000 A 68 LYS CG C 13 25.000 0.000 A 68 LYS N N 15 126.242 0.000 B 199 GLY HA2 H 1 3.895 0.000 B 199 GLY HA3 H 1 3.895 0.000 B 199 GLY C C 13 174.850 0.000 B 199 GLY CA C 13 43.809 0.000 B 200 SER H H 1 8.644 0.000 B 200 SER HA H 1 4.528 0.000 B 200 SER HB2 H 1 3.913 0.000 B 200 SER HB3 H 1 3.913 0.000 B 200 SER CA C 13 58.693 0.000 B 200 SER N N 15 122.205 0.000 B 201 MET HA H 1 4.559 0.000 B 201 MET HBx H 1 2.013 0.000 B 201 MET HBy H 1 2.137 0.000 B 201 MET HE% H 1 2.046 0.000 B 201 MET HGx H 1 2.510 0.000 B 201 MET HGy H 1 2.621 0.000 B 201 MET C C 13 176.242 0.000 B 201 MET CA C 13 55.733 0.000 B 201 MET CB C 13 32.791 0.000 B 201 MET CE C 13 17.265 0.000 B 201 MET CG C 13 32.483 0.041 B 202 GLU H H 1 8.419 0.000 B 202 GLU HA H 1 4.297 0.002 B 202 GLU HBy H 1 2.083 0.009 B 202 GLU HBx H 1 1.998 0.000 B 202 GLU HG2 H 1 2.034 0.000 B 202 GLU HG3 H 1 2.034 0.000 B 202 GLU C C 13 176.980 0.000 B 202 GLU CA C 13 56.428 0.029 B 202 GLU CB C 13 33.131 0.000 B 202 GLU CG C 13 32.591 0.000 B 202 GLU N N 15 121.860 0.000 B 203 GLY H H 1 8.439 0.000 B 203 GLY HA2 H 1 3.990 0.000 B 203 GLY HA3 H 1 3.990 0.000 B 203 GLY C C 13 173.875 0.000 B 203 GLY CA C 13 45.664 0.086 B 203 GLY N N 15 109.819 0.000 B 204 ILE H H 1 7.954 0.000 B 204 ILE HA H 1 4.300 0.000 B 204 ILE HB H 1 1.854 0.000 B 204 ILE HD1% H 1 0.834 0.001 B 204 ILE HG1y H 1 1.446 0.000 B 204 ILE HG1x H 1 1.144 0.000 B 204 ILE HG2% H 1 0.876 0.006 B 204 ILE C C 13 176.187 0.000 B 204 ILE CA C 13 61.243 0.000 B 204 ILE CB C 13 39.279 0.000 B 204 ILE CD1 C 13 13.383 0.000 B 204 ILE CG1 C 13 27.207 0.000 B 204 ILE CG2 C 13 17.907 0.000 B 204 ILE N N 15 119.730 0.000 B 205 SER H H 1 8.455 0.000 B 205 SER HA H 1 4.577 0.009 B 205 SER HB2 H 1 3.812 0.000 B 205 SER HB3 H 1 3.812 0.000 B 205 SER C C 13 174.198 0.000 B 205 SER CA C 13 58.475 0.000 B 205 SER CB C 13 64.170 0.000 B 205 SER N N 15 120.412 0.000 B 206 ILE H H 1 8.130 0.000 B 206 ILE HA H 1 4.293 0.000 B 206 ILE HB H 1 1.779 0.000 B 206 ILE HD1% H 1 0.760 0.000 B 206 ILE HG1x H 1 1.024 0.000 B 206 ILE HG1y H 1 1.218 0.003 B 206 ILE HG2% H 1 0.786 0.000 B 206 ILE C C 13 175.652 0.000 B 206 ILE CA C 13 61.264 0.000 B 206 ILE CB C 13 39.262 0.000 B 206 ILE CD1 C 13 13.383 0.000 B 206 ILE CG1 C 13 27.290 0.000 B 206 ILE CG2 C 13 17.930 0.000 B 206 ILE N N 15 121.730 0.000 B 207 TYR H H 1 8.295 0.000 B 207 TYR HA H 1 4.745 0.000 B 207 TYR HBy H 1 3.040 0.000 B 207 TYR HBx H 1 2.868 0.000 B 207 TYR HD1 H 1 7.062 0.002 B 207 TYR HD2 H 1 7.062 0.002 B 207 TYR HE1 H 1 6.789 0.006 B 207 TYR HE2 H 1 6.789 0.006 B 207 TYR C C 13 175.746 0.000 B 207 TYR CA C 13 58.028 0.000 B 207 TYR CB C 13 39.603 0.000 B 207 TYR CD1 C 13 133.323 0.029 B 207 TYR CE1 C 13 118.329 0.000 B 207 TYR N N 15 123.837 0.000 B 208 THR H H 1 8.092 0.000 B 208 THR HA H 1 4.483 0.000 B 208 THR HB H 1 4.261 0.000 B 208 THR HG2% H 1 1.161 0.000 B 208 THR C C 13 174.206 0.000 B 208 THR CA C 13 61.264 0.000 B 208 THR CB C 13 70.324 0.000 B 208 THR CG2 C 13 21.795 0.000 B 208 THR N N 15 115.760 0.000 B 209 SER H H 1 8.254 0.000 B 209 SER HA H 1 4.467 0.000 B 209 SER HBy H 1 3.940 0.001 B 209 SER HBx H 1 3.865 0.000 B 209 SER C C 13 174.362 0.000 B 209 SER CA C 13 58.713 0.000 B 209 SER CB C 13 64.170 0.000 B 209 SER N N 15 117.340 0.000 B 210 ASP H H 1 8.409 0.003 B 210 ASP HA H 1 4.630 0.010 B 210 ASP HBy H 1 2.688 0.000 B 210 ASP HBx H 1 2.626 0.000 B 210 ASP C C 13 175.919 0.000 B 210 ASP CA C 13 54.486 0.000 B 210 ASP CB C 13 41.539 0.007 B 210 ASP N N 15 121.955 0.095 B 211 ASN H H 1 8.278 0.000 B 211 ASN HA H 1 4.693 0.000 B 211 ASN HB2 H 1 2.697 0.000 B 211 ASN HB3 H 1 2.697 0.000 B 211 ASN C C 13 174.866 0.000 B 211 ASN CA C 13 53.561 0.000 B 211 ASN CB C 13 39.351 0.000 B 211 ASN N N 15 117.959 0.000 B 212 TYR H H 1 8.124 0.000 B 212 TYR HA H 1 4.579 0.000 B 212 TYR HB2 H 1 3.000 0.009 B 212 TYR HB3 H 1 3.000 0.009 B 212 TYR HD1 H 1 7.040 0.000 B 212 TYR HD2 H 1 7.040 0.000 B 212 TYR HE1 H 1 6.773 0.003 B 212 TYR HE2 H 1 6.773 0.003 B 212 TYR C C 13 175.888 0.000 B 212 TYR CA C 13 58.685 0.000 B 212 TYR CB C 13 38.955 0.000 B 212 TYR CD1 C 13 133.304 0.032 B 212 TYR CE1 C 13 118.329 0.000 B 212 TYR N N 15 120.918 0.000 B 213 THR H H 1 7.906 0.000 B 213 THR HA H 1 4.277 0.000 B 213 THR HB H 1 4.173 0.000 B 213 THR HG2% H 1 1.147 0.000 B 213 THR C C 13 174.268 0.000 B 213 THR CA C 13 61.911 0.000 B 213 THR CB C 13 70.341 0.000 B 213 THR CG2 C 13 21.795 0.000 B 213 THR N N 15 116.346 0.000 B 214 GLU H H 1 8.329 0.000 B 214 GLU HA H 1 4.253 0.000 B 214 GLU HB2 H 1 1.947 0.001 B 214 GLU HB3 H 1 1.947 0.001 B 214 GLU HG2 H 1 2.274 0.006 B 214 GLU HG3 H 1 2.274 0.006 B 214 GLU C C 13 176.666 0.000 B 214 GLU CA C 13 57.153 0.000 B 214 GLU CB C 13 29.896 0.000 B 214 GLU CG C 13 36.369 0.002 B 214 GLU N N 15 122.821 0.000 B 215 GLU H H 1 8.415 0.000 B 215 GLU HA H 1 4.273 0.002 B 215 GLU HB2 H 1 2.048 0.001 B 215 GLU HB3 H 1 2.048 0.001 B 215 GLU HG2 H 1 2.306 0.000 B 215 GLU HG3 H 1 2.306 0.000 B 215 GLU C C 13 176.816 0.000 B 215 GLU CA C 13 57.125 0.057 B 215 GLU CB C 13 29.896 0.000 B 215 GLU CG C 13 36.367 0.000 B 215 GLU N N 15 121.622 0.000 B 216 MET H H 1 8.377 0.000 B 216 MET HA H 1 4.445 0.000 B 216 MET HBy H 1 2.086 0.000 B 216 MET HBx H 1 1.997 0.001 B 216 MET HG2 H 1 2.573 0.000 B 216 MET HG3 H 1 2.573 0.000 B 216 MET C C 13 176.988 0.000 B 216 MET CA C 13 56.104 0.000 B 216 MET CB C 13 33.131 0.000 B 216 MET CG C 13 32.484 0.000 B 216 MET N N 15 121.167 0.000 B 217 GLY H H 1 8.432 0.000 B 217 GLY HA2 H 1 4.046 0.000 B 217 GLY HA3 H 1 4.046 0.000 B 217 GLY C C 13 174.363 0.000 B 217 GLY CA C 13 45.720 0.000 B 217 GLY N N 15 110.029 0.000 B 218 SER H H 1 8.303 0.000 B 218 SER HA H 1 4.490 0.000 B 218 SER HB2 H 1 3.904 0.000 B 218 SER HB3 H 1 3.904 0.000 B 218 SER C C 13 175.259 0.000 B 218 SER CA C 13 58.685 0.000 B 218 SER CB C 13 64.187 0.000 B 218 SER N N 15 115.489 0.000 B 219 GLY H H 1 8.486 0.000 B 219 GLY HA2 H 1 3.941 0.000 B 219 GLY HA3 H 1 3.941 0.000 B 219 GLY C C 13 173.883 0.000 B 219 GLY CA C 13 45.848 0.097 B 219 GLY N N 15 110.756 0.000 B 220 ASP H H 1 8.166 0.000 B 220 ASP HA H 1 4.603 0.000 B 220 ASP HBy H 1 2.629 0.000 B 220 ASP HBx H 1 2.522 0.000 B 220 ASP C C 13 176.249 0.000 B 220 ASP CA C 13 54.568 0.000 B 220 ASP CB C 13 41.544 0.000 B 220 ASP N N 15 120.332 0.000 B 221 TYR H H 1 8.149 0.000 B 221 TYR HA H 1 4.495 0.000 B 221 TYR HBx H 1 2.951 0.000 B 221 TYR HBy H 1 3.068 0.000 B 221 TYR HD1 H 1 7.088 0.012 B 221 TYR HD2 H 1 7.088 0.012 B 221 TYR HE1 H 1 6.795 0.000 B 221 TYR HE2 H 1 6.795 0.000 B 221 TYR C C 13 175.951 0.000 B 221 TYR CA C 13 58.685 0.000 B 221 TYR CB C 13 39.007 0.000 B 221 TYR CD1 C 13 133.370 0.000 B 221 TYR CE1 C 13 118.349 0.000 B 221 TYR N N 15 120.434 0.000 B 222 ASP H H 1 8.267 0.000 B 222 ASP HA H 1 4.600 0.008 B 222 ASP HBy H 1 2.694 0.000 B 222 ASP HBx H 1 2.616 0.000 B 222 ASP C C 13 176.705 0.000 B 222 ASP CA C 13 54.974 0.100 B 222 ASP CB C 13 41.544 0.000 B 222 ASP N N 15 121.701 0.000 B 223 SER H H 1 8.193 0.000 B 223 SER HA H 1 4.339 0.000 B 223 SER HBy H 1 3.950 0.001 B 223 SER HBx H 1 3.891 0.005 B 223 SER C C 13 174.976 0.000 B 223 SER CA C 13 59.323 0.000 B 223 SER CB C 13 63.870 0.000 B 223 SER N N 15 116.413 0.000 B 224 MET H H 1 8.252 0.000 B 224 MET HA H 1 4.460 0.000 B 224 MET HBy H 1 2.103 0.000 B 224 MET HBx H 1 2.046 0.000 B 224 MET HGy H 1 2.609 0.000 B 224 MET HGx H 1 2.497 0.000 B 224 MET C C 13 176.289 0.000 B 224 MET CA C 13 56.062 0.000 B 224 MET CB C 13 32.808 0.000 B 224 MET CG C 13 32.591 0.000 B 224 MET N N 15 120.969 0.000 B 225 LYS H H 1 8.010 0.000 B 225 LYS HA H 1 4.325 0.000 B 225 LYS HBy H 1 1.830 0.000 B 225 LYS HBx H 1 1.739 0.000 B 225 LYS HD2 H 1 1.658 0.000 B 225 LYS HD3 H 1 1.658 0.000 B 225 LYS HE2 H 1 2.997 0.000 B 225 LYS HE3 H 1 2.997 0.000 B 225 LYS HG2 H 1 1.402 0.008 B 225 LYS HG3 H 1 1.402 0.008 B 225 LYS C C 13 176.297 0.000 B 225 LYS CA C 13 56.367 0.000 B 225 LYS CB C 13 33.455 0.000 B 225 LYS CD C 13 29.231 0.000 B 225 LYS CE C 13 42.559 0.000 B 225 LYS CG C 13 25.145 0.000 B 225 LYS N N 15 121.283 0.000 B 226 GLU H H 1 8.285 0.000 B 226 GLU HA H 1 4.550 0.000 B 226 GLU HBy H 1 2.055 0.000 B 226 GLU HBx H 1 1.925 0.000 B 226 GLU CA C 13 54.486 0.000 B 226 GLU CB C 13 29.896 0.000 B 226 GLU N N 15 122.804 0.000 B 227 PRO HA H 1 4.358 0.005 B 227 PRO HBx H 1 1.840 0.000 B 227 PRO HBy H 1 2.234 0.000 B 227 PRO HDx H 1 3.681 0.000 B 227 PRO HDy H 1 3.792 0.000 B 227 PRO HG2 H 1 1.996 0.000 B 227 PRO HG3 H 1 1.996 0.000 B 227 PRO C C 13 176.713 0.000 B 227 PRO CA C 13 63.625 0.000 B 227 PRO CB C 13 32.140 0.000 B 227 PRO CD C 13 50.910 0.000 B 227 PRO CG C 13 27.614 0.000 B 228 ALA H H 1 8.356 0.000 B 228 ALA HA H 1 4.264 0.000 B 228 ALA HB% H 1 1.320 0.004 B 228 ALA C C 13 177.523 0.000 B 228 ALA CA C 13 52.829 0.000 B 228 ALA CB C 13 19.646 0.000 B 228 ALA N N 15 123.407 0.000 B 229 PHE H H 1 8.096 0.000 B 229 PHE HA H 1 4.605 0.000 B 229 PHE HB2 H 1 3.090 0.000 B 229 PHE HD1 H 1 7.237 0.007 B 229 PHE HD2 H 1 7.237 0.007 B 229 PHE HE1 H 1 7.329 0.000 B 229 PHE HE2 H 1 7.329 0.000 B 229 PHE C C 13 175.503 0.000 B 229 PHE CA C 13 57.722 0.000 B 229 PHE CB C 13 39.809 0.000 B 229 PHE CD1 C 13 132.047 0.000 B 229 PHE CE1 C 13 131.789 0.000 B 229 PHE N N 15 118.876 0.000 B 230 ARG H H 1 8.109 0.000 B 230 ARG HA H 1 4.289 0.000 B 230 ARG HBx H 1 1.700 0.000 B 230 ARG HBy H 1 1.795 0.000 B 230 ARG HD2 H 1 3.160 0.003 B 230 ARG HD3 H 1 3.160 0.003 B 230 ARG HG2 H 1 1.550 0.000 B 230 ARG HG3 H 1 1.550 0.000 B 230 ARG C C 13 175.762 0.000 B 230 ARG CA C 13 56.062 0.000 B 230 ARG CB C 13 31.560 0.000 B 230 ARG CD C 13 43.485 0.000 B 230 ARG CG C 13 27.307 0.000 B 230 ARG N N 15 123.120 0.000 B 231 GLU H H 1 8.460 0.000 B 231 GLU HA H 1 4.220 0.000 B 231 GLU HB2 H 1 2.057 0.001 B 231 GLU HB3 H 1 2.057 0.001 B 231 GLU HG2 H 1 2.291 0.007 B 231 GLU HG3 H 1 2.291 0.007 B 231 GLU C C 13 176.666 0.000 B 231 GLU CA C 13 57.099 0.000 B 231 GLU CB C 13 30.529 0.000 B 231 GLU CG C 13 36.830 0.000 B 231 GLU N N 15 122.701 0.000 B 232 GLU H H 1 8.597 0.000 B 232 GLU HA H 1 4.274 0.000 B 232 GLU HB2 H 1 1.950 0.000 B 232 GLU HB3 H 1 1.950 0.000 B 232 GLU HG2 H 1 2.284 0.000 B 232 GLU HG3 H 1 2.284 0.000 B 232 GLU C C 13 176.462 0.000 B 232 GLU CA C 13 57.282 0.000 B 232 GLU CB C 13 30.415 0.000 B 232 GLU CG C 13 36.372 0.000 B 232 GLU N N 15 122.102 0.000 B 233 ASN H H 1 8.443 0.000 B 233 ASN HA H 1 4.685 0.005 B 233 ASN HB2 H 1 2.770 0.000 B 233 ASN HB3 H 1 2.770 0.000 B 233 ASN C C 13 175.196 0.000 B 233 ASN CA C 13 53.541 0.058 B 233 ASN CB C 13 39.351 0.000 B 233 ASN N N 15 119.428 0.000 B 234 ALA H H 1 8.245 0.000 B 234 ALA HA H 1 4.255 0.005 B 234 ALA HB% H 1 1.345 0.000 B 234 ALA C C 13 177.460 0.000 B 234 ALA CA C 13 53.207 0.000 B 234 ALA CB C 13 19.531 0.000 B 234 ALA N N 15 124.288 0.000 B 235 ASN H H 1 8.294 0.000 B 235 ASN HA H 1 4.656 0.004 B 235 ASN HBy H 1 2.767 0.000 B 235 ASN HBx H 1 2.683 0.000 B 235 ASN HD2y H 1 7.570 0.000 B 235 ASN HD2x H 1 6.915 0.000 B 235 ASN C C 13 175.055 0.000 B 235 ASN CA C 13 53.622 0.000 B 235 ASN CB C 13 39.236 0.000 B 235 ASN N N 15 116.895 0.000 B 236 PHE H H 1 8.048 0.000 B 236 PHE HA H 1 4.626 0.000 B 236 PHE HBy H 1 3.195 0.000 B 236 PHE HBx H 1 3.040 0.000 B 236 PHE HD1 H 1 7.253 0.000 B 236 PHE HD2 H 1 7.253 0.000 B 236 PHE HE1 H 1 7.376 0.000 B 236 PHE HE2 H 1 7.376 0.000 B 236 PHE C C 13 175.487 0.000 B 236 PHE CA C 13 58.075 0.000 B 236 PHE CB C 13 39.580 0.000 B 236 PHE CD1 C 13 131.789 0.000 B 236 PHE CE1 C 13 131.789 0.000 B 236 PHE N N 15 120.124 0.000 B 237 ASN H H 1 8.319 0.000 B 237 ASN HA H 1 4.706 0.000 B 237 ASN HBy H 1 2.840 0.000 B 237 ASN HBx H 1 2.710 0.000 B 237 ASN C C 13 173.978 0.000 B 237 ASN CA C 13 53.622 0.000 B 237 ASN CB C 13 39.279 0.000 B 237 ASN N N 15 120.389 0.000 B 238 LYS H H 1 7.775 0.000 B 238 LYS HA H 1 4.148 0.000 B 238 LYS HBy H 1 1.829 0.000 B 238 LYS HBx H 1 1.713 0.000 B 238 LYS HD2 H 1 1.664 0.000 B 238 LYS HD3 H 1 1.664 0.000 B 238 LYS HE2 H 1 2.983 0.000 B 238 LYS HE3 H 1 2.983 0.000 B 238 LYS HG2 H 1 1.388 0.000 B 238 LYS HG3 H 1 1.388 0.000 B 238 LYS CA C 13 58.028 0.000 B 238 LYS CB C 13 33.779 0.000 B 238 LYS CD C 13 29.231 0.000 B 238 LYS CE C 13 42.497 0.000 B 238 LYS CG C 13 25.025 0.000 B 238 LYS N N 15 126.311 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 5 LEU HA A 5 LEU HG 1.0 0.0 4.14 2 2 A 20 ARG HA A 20 ARG HDx 1.0 0.0 5.23 3 3 A 28 ILE HB A 28 ILE HD1% 1.0 0.0 3.79 4 4 A 28 ILE HD1% A 28 ILE HA 1.0 0.0 4.52 5 5 A 29 LEU HBx A 29 LEU HG 1.0 0.0 2.54 6 6 A 36 LEU HBy A 36 LEU HG 1.0 0.0 2.73 7 7 A 38 ILE HA A 38 ILE HD1% 1.0 0.0 4.77 8 8 A 38 ILE HD1% A 38 ILE HB 1.0 0.0 3.82 9 9 A 41 ARG HBy A 41 ARG HGx 1.0 0.0 2.69 10 10 A 43 LYS HEx A 43 LYS HGx 1.0 0.0 4.09 11 11 A 43 LYS HA A 43 LYS HEy 1.0 0.0 5.50 12 12 A 43 LYS HBy A 43 LYS HEy 1.0 0.0 5.38 13 13 A 43 LYS HBx A 43 LYS HEy 1.0 0.0 4.08 14 14 A 43 LYS HEx A 43 LYS HBy 1.0 0.0 5.07 15 15 A 43 LYS HEx A 43 LYS HGy 1.0 0.0 4.09 16 16 A 51 ILE HA A 51 ILE HD1% 1.0 0.0 4.34 17 17 A 51 ILE HD1% A 51 ILE HB 1.0 0.0 3.75 18 18 A 62 LEU HBy A 62 LEU HG 1.0 0.0 2.84 19 19 A 66 LEU HA A 66 LEU HG 1.0 0.0 4.15 20 20 A 66 LEU HG A 66 LEU HBy 1.0 0.0 2.83 21 21 A 20 ARG HA A 20 ARG HDy 1.0 0.0 5.23 22 22 A 38 ILE HD1% A 53 PRO HBx 1.0 0.0 4.89 23 23 A 66 LEU HBy A 66 LEU H 1.0 0.0 3.26 24 24 A 58 CYS HA A 61 TYR HBx 1.0 0.0 4.80 25 25 A 61 TYR HBx B 206 ILE HD1% 1.0 0.0 5.50 26 26 A 61 TYR HBx A 57 TRP HE3 1.0 0.0 5.47 27 27 A 48 GLN HBy A 49 VAL H 1.0 0.0 5.50 28 28 A 15 GLU HBx A 16 SER H 1.0 0.0 4.87 29 29 A 47 ARG HBy A 48 GLN H 1.0 0.0 4.02 30 30 A 47 ARG HBx A 48 GLN H 1.0 0.0 5.34 31 31 A 22 ASN HA A 43 LYS HGy 1.0 0.0 5.50 32 32 A 22 ASN HA A 43 LYS HGx 1.0 0.0 5.50 33 33 A 43 LYS H A 43 LYS HGx 1.0 0.0 4.38 34 34 A 51 ILE HG1x A 51 ILE H 1.0 0.0 4.82 35 35 A 14 PHE H A 13 PHE HBy 1.0 0.0 4.56 36 36 A 13 PHE HBx A 14 PHE H 1.0 0.0 4.56 37 37 A 15 GLU HBy A 16 SER H 1.0 0.0 4.82 38 38 A 23 VAL HB A 23 VAL H 1.0 0.0 3.78 39 39 A 19 ALA HA A 20 ARG H 1.0 0.0 3.53 40 40 A 20 ARG HA A 57 TRP HZ2 1.0 0.0 4.98 41 41 A 20 ARG HA A 23 VAL H 1.0 0.0 5.50 42 42 A 43 LYS HA A 24 LYS HGx 1.0 0.0 5.50 43 43 A 26 LEU HG A 26 LEU H 1.0 0.0 5.50 44 44 A 26 LEU HG B 206 ILE HD1% 1.0 0.0 4.22 45 45 A 27 LYS HGy A 27 LYS H 1.0 0.0 5.50 46 46 A 27 LYS HGx A 27 LYS H 1.0 0.0 5.46 47 47 A 29 LEU HBx A 37 GLN HBx 1.0 0.0 5.25 48 48 A 29 LEU HG A 29 LEU H 1.0 0.0 4.89 49 49 A 30 ASN HA A 31 THR H 1.0 0.0 3.49 50 50 A 30 ASN HBx A 31 THR H 1.0 0.0 4.89 51 51 A 31 THR HB A 32 PRO HDy 1.0 0.0 4.58 52 52 A 31 THR HA A 32 PRO HDy 1.0 0.0 4.03 53 53 A 31 THR HA A 32 PRO HDx 1.0 0.0 4.03 54 54 A 31 THR HB A 34 CYS HBx 1.0 0.0 5.50 55 55 A 35 ALA HA A 36 LEU H 1.0 0.0 3.38 56 56 A 36 LEU HA A 30 ASN HA 1.0 0.0 5.50 57 57 A 36 LEU HG A 37 GLN H 1.0 0.0 5.13 58 58 A 36 LEU HBy A 37 GLN H 1.0 0.0 5.32 59 59 A 36 LEU HBx A 37 GLN H 1.0 0.0 5.32 60 60 A 38 ILE HG1y A 38 ILE H 1.0 0.0 4.41 61 61 A 38 ILE HD1% A 38 ILE H 1.0 0.0 5.25 62 62 A 38 ILE HD1% A 53 PRO HA 1.0 0.0 4.01 63 63 A 38 ILE HD1% A 58 CYS HBy 1.0 0.0 5.50 64 64 A 38 ILE HD1% A 58 CYS HBx 1.0 0.0 4.74 65 65 A 38 ILE HD1% A 51 ILE HG1y 1.0 0.0 5.50 66 66 A 38 ILE HD1% A 58 CYS HA 1.0 0.0 5.32 67 67 A 26 LEU HA A 40 ALA HA 1.0 0.0 4.61 68 68 A 41 ARG HBx A 41 ARG H 1.0 0.0 4.10 69 69 A 41 ARG HGy A 41 ARG H 1.0 0.0 4.06 70 70 A 41 ARG HGx A 41 ARG H 1.0 0.0 4.00 71 71 A 42 LEU HBx A 43 LYS H 1.0 0.0 5.42 72 72 A 43 LYS HA A 23 VAL HA 1.0 0.0 5.50 73 73 A 43 LYS HBy A 43 LYS H 1.0 0.0 3.92 74 74 A 43 LYS HEy A 22 ASN HA 1.0 0.0 5.50 75 75 A 43 LYS HEy A 23 VAL HA 1.0 0.0 5.38 76 76 A 47 ARG H A 47 ARG HDy 1.0 0.0 5.50 77 77 A 47 ARG H A 47 ARG HDx 1.0 0.0 5.50 78 78 A 48 GLN HGy A 48 GLN H 1.0 0.0 4.42 79 79 A 48 GLN H A 48 GLN HGx 1.0 0.0 4.42 80 80 A 49 VAL HB A 50 CYS H 1.0 0.0 4.23 81 81 A 51 ILE HG1y A 50 CYS HA 1.0 0.0 5.50 82 82 A 50 CYS HBx A 51 ILE H 1.0 0.0 4.75 83 83 A 51 ILE HB A 52 ASP H 1.0 0.0 4.88 84 84 A 38 ILE HB A 51 ILE HB 1.0 0.0 4.40 85 85 A 39 VAL HA A 51 ILE HD1% 1.0 0.0 5.50 86 86 A 51 ILE HD1% A 57 TRP HH2 1.0 0.0 4.39 87 87 A 51 ILE HD1% A 57 TRP HZ2 1.0 0.0 4.39 88 88 A 38 ILE HB A 51 ILE HD1% 1.0 0.0 5.04 89 89 A 51 ILE HD1% A 18 VAL HB 1.0 0.0 4.46 90 90 A 38 ILE HB A 51 ILE HG1x 1.0 0.0 5.50 91 91 A 16 SER HA A 52 ASP HBy 1.0 0.0 5.32 92 92 A 16 SER HA A 52 ASP HBx 1.0 0.0 5.32 93 93 A 54 LYS H A 53 PRO HDy 1.0 0.0 4.58 94 94 A 52 ASP HA A 53 PRO HGx 1.0 0.0 5.50 95 95 A 52 ASP HA A 53 PRO HGy 1.0 0.0 5.50 96 96 A 60 GLU H A 60 GLU HBx 1.0 0.0 3.67 97 97 A 63 GLU HA A 66 LEU H 1.0 0.0 4.80 98 98 A 60 GLU HA A 63 GLU HGy 1.0 0.0 5.09 99 99 A 63 GLU HGy A 64 LYS H 1.0 0.0 5.32 100 100 A 66 LEU HBy A 63 GLU HA 1.0 0.0 5.36 101 101 A 66 LEU HBx A 63 GLU HA 1.0 0.0 5.50 102 102 A 62 LEU HG A 63 GLU H 1.0 0.0 5.32 103 103 A 66 LEU HG A 66 LEU H 1.0 0.0 3.40 104 104 A 53 PRO HA A 58 CYS HBy 1.0 0.0 5.42 105 105 A 38 ILE HG1x A 58 CYS HBy 1.0 0.0 5.39 106 106 A 51 ILE HB A 50 CYS HA 1.0 0.0 5.50 107 107 A 1 LYS HA A 2 PRO HDy 1.0 0.0 3.82 108 108 A 1 LYS HBy A 2 PRO HDx 1.0 0.0 5.50 109 109 A 31 THR HB A 32 PRO HDx 1.0 0.0 4.58 110 110 A 1 LYS HBx A 2 PRO HDx 1.0 0.0 5.50 111 111 A 29 LEU HBx A 29 LEU H 1.0 0.0 3.80 112 112 A 41 ARG HA A 49 VAL H 1.0 0.0 5.07 113 113 A 51 ILE HG1x A 40 ALA H 1.0 0.0 5.50 114 114 A 65 ALA HA A 67 ASN H 1.0 0.0 4.17 115 115 A 28 ILE HD1% A 29 LEU H 1.0 0.0 5.18 116 116 A 1 LYS HA A 2 PRO HDx 1.0 0.0 3.82 117 117 A 38 ILE HD1% A 53 PRO HBy 1.0 0.0 4.92 118 118 A 23 VAL HA A 43 LYS HGx 1.0 0.0 5.50 119 119 A 23 VAL HA A 43 LYS HGy 1.0 0.0 5.50 120 120 A 20 ARG HA A 57 TRP HH2 1.0 0.0 5.50 121 121 A 42 LEU HBx A 22 ASN HBx 1.0 0.0 5.50 122 122 A 25 HIS HBx A 26 LEU H 1.0 0.0 5.50 123 123 A 38 ILE HB A 51 ILE HG1y 1.0 0.0 5.41 124 124 A 28 ILE HD1% A 62 LEU HA 1.0 0.0 4.74 125 125 A 28 ILE HD1% A 66 LEU HA 1.0 0.0 5.50 126 126 A 28 ILE HD1% A 65 ALA HA 1.0 0.0 5.50 127 127 A 29 LEU HG A 29 LEU HBy 1.0 0.0 2.87 128 128 A 29 LEU HBy A 37 GLN HBx 1.0 0.0 5.15 129 129 A 29 LEU HBy A 37 GLN H 1.0 0.0 5.50 130 130 A 29 LEU HG A 37 GLN HBx 1.0 0.0 5.12 131 131 A 31 THR HB A 34 CYS HBy 1.0 0.0 5.50 132 132 A 37 GLN HE2y A 34 CYS HBy 1.0 0.0 5.50 133 133 A 35 ALA H A 34 CYS HBx 1.0 0.0 4.65 134 134 A 37 GLN HE2y A 34 CYS HBx 1.0 0.0 5.50 135 135 A 37 GLN HE2x A 34 CYS HBy 1.0 0.0 5.50 136 136 A 37 GLN HGx A 37 GLN H 1.0 0.0 4.70 137 137 A 37 GLN H A 37 GLN HGy 1.0 0.0 4.70 138 138 A 62 LEU HBy A 62 LEU H 1.0 0.0 3.54 139 139 A 36 LEU HG A 36 LEU H 1.0 0.0 4.80 140 140 A 43 LYS HBx A 43 LYS HEx 1.0 0.0 5.50 141 141 A 39 VAL HA A 51 ILE HG1y 1.0 0.0 5.50 142 142 A 57 TRP HH2 A 51 ILE HG1y 1.0 0.0 4.82 143 143 A 38 ILE HG1x A 39 VAL H 1.0 0.0 5.50 144 144 A 42 LEU HBx A 47 ARG H 1.0 0.0 5.50 145 145 A 42 LEU HG A 43 LYS H 1.0 0.0 5.50 146 146 A 43 LYS HBx A 23 VAL HA 1.0 0.0 5.50 147 147 A 43 LYS HBx A 22 ASN HA 1.0 0.0 5.33 148 148 A 43 LYS HBy A 23 VAL HA 1.0 0.0 5.50 149 149 A 43 LYS HBy A 22 ASN HA 1.0 0.0 5.31 150 150 A 43 LYS HEy A 23 VAL H 1.0 0.0 5.50 151 151 A 43 LYS HEy A 24 LYS H 1.0 0.0 5.50 152 152 A 43 LYS HEx A 22 ASN HA 1.0 0.0 5.50 153 153 A 43 LYS HEx A 24 LYS H 1.0 0.0 5.50 154 154 A 24 LYS H A 43 LYS HGx 1.0 0.0 5.50 155 155 A 24 LYS H A 43 LYS HGy 1.0 0.0 5.50 156 156 A 45 ASN HD2x A 47 ARG HDy 1.0 0.0 5.50 157 157 A 45 ASN HD2x A 47 ARG HDx 1.0 0.0 5.50 158 158 A 48 GLN HBx A 48 GLN HE2x 1.0 0.0 4.82 159 159 A 14 PHE HA A 50 CYS HBy 1.0 0.0 5.23 160 160 A 50 CYS HBx A 14 PHE HA 1.0 0.0 5.11 161 161 A 53 PRO HDx A 52 ASP HBx 1.0 0.0 5.50 162 162 A 52 ASP HBy A 53 PRO HDx 1.0 0.0 5.50 163 163 A 59 GLN HA A 62 LEU HBx 1.0 0.0 4.94 164 164 B 206 ILE HD1% A 61 TYR HBy 1.0 0.0 5.50 165 165 A 58 CYS HA A 61 TYR HBy 1.0 0.0 5.50 166 166 A 57 TRP HE3 A 61 TYR HBy 1.0 0.0 5.50 167 167 A 57 TRP HE3 A 61 TYR HA 1.0 0.0 5.50 168 168 A 61 TYR HA A 63 GLU H 1.0 0.0 5.50 169 169 A 61 TYR HBy A 62 LEU H 1.0 0.0 4.42 170 170 A 62 LEU HA A 65 ALA H 1.0 0.0 4.54 171 171 A 62 LEU HA A 64 LYS H 1.0 0.0 5.50 172 172 A 59 GLN HA A 62 LEU HBy 1.0 0.0 4.39 173 173 A 57 TRP HA A 60 GLU HBy 1.0 0.0 5.50 174 174 A 57 TRP HA A 60 GLU HBx 1.0 0.0 5.50 175 175 A 63 GLU HBy A 64 LYS H 1.0 0.0 4.91 176 176 A 64 LYS H A 64 LYS HGy 1.0 0.0 4.46 177 177 A 18 VAL HB A 18 VAL H 1.0 0.0 4.04 178 178 A 57 TRP HH2 A 18 VAL HB 1.0 0.0 5.50 179 179 A 58 CYS HA A 60 GLU H 1.0 0.0 5.50 180 180 A 58 CYS HA A 62 LEU H 1.0 0.0 5.50 181 181 A 58 CYS HA A 61 TYR H 1.0 0.0 4.84 182 182 A 42 LEU HBy A 47 ARG H 1.0 0.0 4.21 183 183 A 42 LEU HBy A 45 ASN H 1.0 0.0 5.50 184 184 A 41 ARG HBy A 25 HIS H 1.0 0.0 5.15 185 185 A 41 ARG HBx A 25 HIS H 1.0 0.0 5.50 186 186 A 41 ARG HBy A 42 LEU H 1.0 0.0 5.50 187 187 A 38 ILE HD1% A 39 VAL H 1.0 0.0 5.50 188 188 A 33 ASN H A 32 PRO HDy 1.0 0.0 5.50 189 189 A 32 PRO HDx A 33 ASN H 1.0 0.0 5.50 190 190 A 38 ILE HG1y A 53 PRO HA 1.0 0.0 5.29 191 191 A 22 ASN HBx A 19 ALA H 1.0 0.0 5.28 192 192 A 67 ASN HBy A 68 LYS H 1.0 0.0 5.08 193 193 A 7 TYR HBx A 8 ARG H 1.0 0.0 5.50 194 194 A 68 LYS H A 67 ASN HBx 1.0 0.0 5.08 195 195 A 27 LYS HBy A 28 ILE H 1.0 0.0 5.12 196 196 A 28 ILE H A 27 LYS HBx 1.0 0.0 5.12 197 197 A 28 ILE HD1% A 28 ILE H 1.0 0.0 4.97 198 198 A 28 ILE HD1% A 65 ALA H 1.0 0.0 5.21 199 199 A 38 ILE HB A 51 ILE H 1.0 0.0 4.81 200 200 A 51 ILE HB A 51 ILE H 1.0 0.0 4.21 201 201 A 51 ILE HB A 38 ILE H 1.0 0.0 5.50 202 202 A 41 ARG HA A 42 LEU H 1.0 0.0 3.57 203 203 A 51 ILE HD1% A 40 ALA H 1.0 0.0 4.32 204 204 A 51 ILE HD1% A 51 ILE H 1.0 0.0 4.95 205 205 A 51 ILE HD1% A 52 ASP H 1.0 0.0 5.26 206 206 A 51 ILE HD1% A 57 TRP HE1 1.0 0.0 5.50 207 207 A 59 GLN HA A 62 LEU H 1.0 0.0 4.22 208 208 A 62 LEU H A 60 GLU HBy 1.0 0.0 5.50 209 209 A 62 LEU H A 60 GLU HBx 1.0 0.0 5.50 210 210 A 60 GLU HA A 62 LEU H 1.0 0.0 5.34 211 211 A 42 LEU HBy A 42 LEU H 1.0 0.0 4.18 212 212 A 52 ASP HBy A 53 PRO HDy 1.0 0.0 5.50 213 213 A 25 HIS HBy A 26 LEU H 1.0 0.0 4.52 214 214 A 25 HIS HBy A 41 ARG H 1.0 0.0 5.50 215 215 A 59 GLN HA A 61 TYR H 1.0 0.0 5.50 216 216 A 27 LYS HGy A 28 ILE H 1.0 0.0 4.92 217 217 A 27 LYS HGx A 28 ILE H 1.0 0.0 5.50 218 218 A 20 ARG H A 20 ARG HGy 1.0 0.0 5.50 219 219 A 18 VAL HB A 19 ALA H 1.0 0.0 4.95 220 220 A 2 PRO HDy A 1 LYS HBy 1.0 0.0 5.50 221 221 A 2 PRO HDy A 1 LYS HBx 1.0 0.0 5.50 222 222 A 36 LEU HBx A 36 LEU H 1.0 0.0 4.19 223 223 A 55 CYS H A 54 LYS HBx 1.0 0.0 3.97 224 224 A 8 ARG HBy A 9 CYS H 1.0 0.0 5.15 225 225 A 8 ARG HBx A 9 CYS H 1.0 0.0 5.15 226 226 A 10 PRO HA A 9 CYS HBx 1.0 0.0 5.50 227 227 A 10 PRO HA A 9 CYS HBy 1.0 0.0 5.50 228 228 A 37 GLN HE2y A 9 CYS HBx 1.0 0.0 5.50 229 229 A 37 GLN HE2y A 9 CYS HBy 1.0 0.0 5.50 230 230 A 37 GLN HE2x A 9 CYS HBx 1.0 0.0 5.50 231 231 A 37 GLN HE2x A 9 CYS HBy 1.0 0.0 5.50 232 232 A 37 GLN HBy A 38 ILE H 1.0 0.0 4.74 233 233 A 42 LEU HA A 23 VAL HA 1.0 0.0 5.50 234 234 A 43 LYS HA A 24 LYS HGy 1.0 0.0 5.50 235 235 A 43 LYS HBx A 24 LYS HA 1.0 0.0 5.24 236 236 A 29 LEU HBy A 37 GLN HGx 1.0 0.0 5.50 237 237 A 29 LEU HBx A 37 GLN HGx 1.0 0.0 5.50 238 238 A 29 LEU HBx A 37 GLN HGy 1.0 0.0 5.50 239 239 A 29 LEU HBy A 37 GLN HGy 1.0 0.0 5.50 240 240 A 36 LEU HG A 30 ASN HBy 1.0 0.0 5.50 241 241 A 37 GLN HE2x A 34 CYS HBx 1.0 0.0 5.50 242 242 A 45 ASN HD2y A 47 ARG HDy 1.0 0.0 5.50 243 243 A 45 ASN HD2y A 47 ARG HDx 1.0 0.0 5.50 244 244 A 41 ARG HGy A 42 LEU H 1.0 0.0 5.41 245 245 A 41 ARG HGx A 42 LEU H 1.0 0.0 5.39 246 246 A 38 ILE HB A 39 VAL H 1.0 0.0 5.50 247 247 A 27 LYS HGy A 39 VAL HB 1.0 0.0 4.95 248 248 A 39 VAL HA A 50 CYS HA 1.0 0.0 4.50 249 249 A 41 ARG HGy A 25 HIS H 1.0 0.0 5.50 250 250 A 41 ARG HGx A 25 HIS H 1.0 0.0 5.50 251 251 A 42 LEU HG A 47 ARG H 1.0 0.0 5.50 252 252 A 43 LYS HEx A 23 VAL HA 1.0 0.0 4.89 253 253 A 47 ARG HA A 47 ARG HDy 1.0 0.0 5.50 254 254 A 47 ARG HA A 47 ARG HDx 1.0 0.0 5.50 255 255 A 51 ILE HG1y A 40 ALA H 1.0 0.0 5.50 256 256 A 51 ILE HG1x A 50 CYS HA 1.0 0.0 5.50 257 257 A 51 ILE HD1% A 50 CYS HA 1.0 0.0 5.50 258 258 B 226 GLU HA A 52 ASP HBy 1.0 0.0 5.50 259 259 A 53 PRO HA A 58 CYS HBx 1.0 0.0 4.96 260 260 A 38 ILE HG1y A 53 PRO HBx 1.0 0.0 4.69 261 261 A 38 ILE HG1y A 53 PRO HBy 1.0 0.0 4.50 262 262 A 55 CYS H A 54 LYS HGx 1.0 0.0 5.43 263 263 A 56 LYS HA A 59 GLN H 1.0 0.0 5.50 264 264 A 58 CYS HBx A 59 GLN H 1.0 0.0 4.91 265 265 A 60 GLU HA A 63 GLU HGx 1.0 0.0 5.09 266 266 A 64 LYS HA A 66 LEU H 1.0 0.0 5.37 267 267 A 62 LEU HA A 66 LEU HG 1.0 0.0 5.50 268 268 A 66 LEU HG A 63 GLU HA 1.0 0.0 5.50 269 269 A 57 TRP HA A 59 GLN H 1.0 0.0 5.25 270 270 A 60 GLU HA A 64 LYS H 1.0 0.0 5.50 271 271 A 48 GLN HBx A 48 GLN HE2y 1.0 0.0 5.00 272 272 A 41 ARG HGy A 48 GLN HE2y 1.0 0.0 5.50 273 273 A 4 SER HB2 A 5 LEU H 1.0 0.0 5.50 274 274 A 52 ASP HBx A 53 PRO HDy 1.0 0.0 5.50 275 275 A 58 CYS HBy A 55 CYS H 1.0 0.0 5.35 276 276 B 226 GLU HA A 52 ASP HBx 1.0 0.0 5.50 277 277 A 32 PRO HA A 34 CYS H 1.0 0.0 4.67 278 278 A 54 LYS HA A 59 GLN HE2y 1.0 0.0 5.43 279 279 A 26 LEU HG A 40 ALA HA 1.0 0.0 4.20 280 280 A 61 TYR HA B 204 ILE HD1% 1.0 0.0 5.50 281 281 A 51 ILE HA A 52 ASP HBx 1.0 0.0 5.50 282 282 A 51 ILE HA A 52 ASP HBy 1.0 0.0 5.50 283 283 A 18 VAL HB A 57 TRP HE1 1.0 0.0 5.06 284 284 A 41 ARG HBy A 25 HIS HBx 1.0 0.0 5.23 285 285 A 41 ARG HBx A 25 HIS HBx 1.0 0.0 5.26 286 286 A 41 ARG HGy A 25 HIS HBy 1.0 0.0 5.24 287 287 A 41 ARG HBx A 25 HIS HBy 1.0 0.0 5.25 288 288 A 39 VAL HB A 27 LYS HBx 1.0 0.0 4.82 289 289 A 39 VAL HB A 27 LYS HBy 1.0 0.0 4.82 290 290 A 36 LEU HBy A 36 LEU H 1.0 0.0 3.60 291 291 A 58 CYS HBy A 58 CYS H 1.0 0.0 4.07 292 292 A 58 CYS H A 57 TRP H 1.0 0.0 4.28 293 293 A 45 ASN HD2x A 45 ASN HBx 1.0 0.0 4.08 294 294 A 50 CYS HBy A 15 GLU H 1.0 0.0 4.91 295 295 A 15 GLU H A 15 GLU HGy 1.0 0.0 4.35 296 296 A 15 GLU H A 15 GLU HGx 1.0 0.0 4.35 297 297 A 15 GLU HBy A 15 GLU H 1.0 0.0 4.08 298 298 A 15 GLU HBx A 15 GLU H 1.0 0.0 3.82 299 299 A 14 PHE H A 15 GLU H 1.0 0.0 5.03 300 300 A 20 ARG HBx A 21 ALA H 1.0 0.0 4.94 301 301 A 20 ARG HBy A 21 ALA H 1.0 0.0 4.17 302 302 A 22 ASN H A 23 VAL H 1.0 0.0 3.59 303 303 A 21 ALA HA A 23 VAL H 1.0 0.0 4.87 304 304 A 22 ASN HBx A 23 VAL H 1.0 0.0 5.00 305 305 A 43 LYS HEx A 23 VAL H 1.0 0.0 4.74 306 306 A 24 LYS H A 25 HIS H 1.0 0.0 4.27 307 307 A 23 VAL H A 24 LYS H 1.0 0.0 5.20 308 308 A 23 VAL HB A 24 LYS H 1.0 0.0 4.51 309 309 A 41 ARG H A 25 HIS H 1.0 0.0 4.58 310 310 A 27 LYS H A 28 ILE H 1.0 0.0 4.74 311 311 A 28 ILE HB A 28 ILE H 1.0 0.0 3.62 312 312 A 29 LEU H A 37 GLN H 1.0 0.0 4.82 313 313 A 37 GLN HBx A 29 LEU H 1.0 0.0 5.25 314 314 A 28 ILE HB A 29 LEU H 1.0 0.0 4.69 315 315 A 30 ASN HBy A 31 THR H 1.0 0.0 5.01 316 316 A 29 LEU HBx A 31 THR H 1.0 0.0 4.94 317 317 A 36 LEU H A 35 ALA H 1.0 0.0 5.01 318 318 A 36 LEU HA A 37 GLN H 1.0 0.0 3.56 319 319 A 29 LEU HBx A 37 GLN H 1.0 0.0 4.18 320 320 A 37 GLN HBx A 38 ILE H 1.0 0.0 4.99 321 321 A 38 ILE HG1x A 38 ILE H 1.0 0.0 4.61 322 322 A 26 LEU HG A 39 VAL H 1.0 0.0 5.09 323 323 A 42 LEU HG A 42 LEU H 1.0 0.0 3.88 324 324 A 50 CYS HA A 40 ALA H 1.0 0.0 4.59 325 325 A 39 VAL HB A 40 ALA H 1.0 0.0 4.88 326 326 A 40 ALA H A 49 VAL H 1.0 0.0 4.30 327 327 A 24 LYS H A 41 ARG H 1.0 0.0 4.67 328 328 A 26 LEU HA A 41 ARG H 1.0 0.0 4.87 329 329 A 42 LEU HBy A 43 LYS H 1.0 0.0 4.57 330 330 A 43 LYS HBx A 43 LYS H 1.0 0.0 3.70 331 331 A 43 LYS H A 43 LYS HGy 1.0 0.0 4.38 332 332 A 42 LEU H A 47 ARG H 1.0 0.0 4.74 333 333 A 55 CYS H A 54 LYS H 1.0 0.0 3.45 334 334 A 53 PRO HA A 55 CYS H 1.0 0.0 4.43 335 335 A 55 CYS HBy A 55 CYS H 1.0 0.0 3.85 336 336 A 55 CYS H A 55 CYS HBx 1.0 0.0 3.85 337 337 A 55 CYS H A 54 LYS HGy 1.0 0.0 5.43 338 338 A 49 VAL H A 48 GLN H 1.0 0.0 4.79 339 339 A 47 ARG H A 48 GLN H 1.0 0.0 4.62 340 340 A 47 ARG HA A 48 GLN H 1.0 0.0 3.28 341 341 A 48 GLN HBx A 48 GLN H 1.0 0.0 3.92 342 342 A 48 GLN HBx A 49 VAL H 1.0 0.0 4.47 343 343 A 50 CYS H A 49 VAL H 1.0 0.0 5.19 344 344 A 14 PHE HA A 50 CYS H 1.0 0.0 4.54 345 345 A 49 VAL HA A 50 CYS H 1.0 0.0 3.50 346 346 A 50 CYS HBy A 50 CYS H 1.0 0.0 4.07 347 347 A 51 ILE HG1y A 51 ILE H 1.0 0.0 4.57 348 348 A 52 ASP H A 52 ASP HBy 1.0 0.0 3.77 349 349 A 52 ASP H A 52 ASP HBx 1.0 0.0 3.77 350 350 A 15 GLU HBy A 52 ASP H 1.0 0.0 5.50 351 351 A 15 GLU HBx A 52 ASP H 1.0 0.0 5.49 352 352 A 51 ILE HG1y A 52 ASP H 1.0 0.0 5.50 353 353 A 51 ILE HG1x A 52 ASP H 1.0 0.0 5.29 354 354 A 55 CYS HA A 54 LYS H 1.0 0.0 5.40 355 355 A 52 ASP HA A 54 LYS H 1.0 0.0 4.81 356 356 A 53 PRO HDx A 54 LYS H 1.0 0.0 4.58 357 357 A 52 ASP HBy A 54 LYS H 1.0 0.0 5.34 358 358 A 54 LYS H A 52 ASP HBx 1.0 0.0 5.34 359 359 A 54 LYS H A 54 LYS HBy 1.0 0.0 3.76 360 360 A 54 LYS H A 54 LYS HBx 1.0 0.0 3.76 361 361 A 58 CYS H A 59 GLN H 1.0 0.0 4.25 362 362 A 58 CYS HBy A 59 GLN H 1.0 0.0 4.87 363 363 A 60 GLU H A 62 LEU H 1.0 0.0 5.32 364 364 A 60 GLU H A 61 TYR H 1.0 0.0 3.95 365 365 A 66 LEU HBy A 67 ASN H 1.0 0.0 4.50 366 366 A 66 LEU HBx A 67 ASN H 1.0 0.0 4.94 367 367 A 61 TYR HBx A 61 TYR H 1.0 0.0 4.07 368 368 A 61 TYR H A 60 GLU HBy 1.0 0.0 4.78 369 369 A 61 TYR H A 62 LEU H 1.0 0.0 4.00 370 370 A 61 TYR HBx A 62 LEU H 1.0 0.0 4.36 371 371 A 60 GLU HA A 63 GLU H 1.0 0.0 4.12 372 372 A 63 GLU H A 63 GLU HGy 1.0 0.0 4.36 373 373 A 63 GLU H A 63 GLU HGx 1.0 0.0 4.36 374 374 A 63 GLU HBy A 63 GLU H 1.0 0.0 3.47 375 375 A 62 LEU HBy A 63 GLU H 1.0 0.0 3.89 376 376 A 62 LEU HBx A 63 GLU H 1.0 0.0 4.27 377 377 A 63 GLU HBx A 64 LYS H 1.0 0.0 4.01 378 378 A 65 ALA H A 64 LYS H 1.0 0.0 3.56 379 379 A 66 LEU HBx A 66 LEU H 1.0 0.0 3.80 380 380 A 37 GLN HBx A 37 GLN HE2y 1.0 0.0 5.40 381 381 A 28 ILE H A 29 LEU H 1.0 0.0 5.20 382 382 A 25 HIS H A 26 LEU H 1.0 0.0 4.73 383 383 A 57 TRP HE1 A 20 ARG H 1.0 0.0 4.48 384 384 A 39 VAL H A 40 ALA H 1.0 0.0 5.17 385 385 A 48 GLN HA A 42 LEU H 1.0 0.0 3.65 386 386 A 65 ALA H A 63 GLU H 1.0 0.0 4.49 387 387 A 51 ILE HA A 15 GLU H 1.0 0.0 4.47 388 388 A 62 LEU HG A 62 LEU H 1.0 0.0 3.95 389 389 A 66 LEU HA A 68 LYS H 1.0 0.0 5.22 390 390 A 47 ARG H A 45 ASN H 1.0 0.0 4.80 391 391 A 41 ARG HA A 47 ARG H 1.0 0.0 5.41 392 392 A 45 ASN HD2y A 47 ARG H 1.0 0.0 5.36 393 393 A 42 LEU H A 46 ASN H 1.0 0.0 5.50 394 394 A 37 GLN H A 36 LEU H 1.0 0.0 4.44 395 395 A 6 SER HB2 A 7 TYR H 1.0 0.0 4.99 396 396 A 22 ASN HBy A 19 ALA H 1.0 0.0 5.50 397 397 A 18 VAL H A 19 ALA H 1.0 0.0 5.37 398 398 A 22 ASN HD2y A 19 ALA H 1.0 0.0 5.50 399 399 A 19 ALA H A 20 ARG H 1.0 0.0 5.35 400 400 A 56 LYS HA A 58 CYS H 1.0 0.0 5.06 401 401 A 57 TRP HD1 A 58 CYS H 1.0 0.0 5.31 402 402 A 57 TRP HE3 A 58 CYS H 1.0 0.0 5.50 403 403 A 57 TRP HD1 A 57 TRP H 1.0 0.0 4.32 404 404 A 59 GLN H A 57 TRP H 1.0 0.0 5.50 405 405 A 64 LYS H A 63 GLU HGx 1.0 0.0 5.32 406 406 A 26 LEU H A 27 LYS H 1.0 0.0 5.22 407 407 A 23 VAL HA A 43 LYS H 1.0 0.0 4.23 408 408 A 43 LYS H A 24 LYS H 1.0 0.0 4.67 409 409 A 30 ASN HA A 36 LEU H 1.0 0.0 5.50 410 410 A 31 THR H A 34 CYS H 1.0 0.0 5.36 411 411 A 23 VAL HA A 41 ARG H 1.0 0.0 5.36 412 412 A 23 VAL HB A 41 ARG H 1.0 0.0 5.39 413 413 A 41 ARG H A 42 LEU H 1.0 0.0 5.19 414 414 A 41 ARG HBy A 41 ARG H 1.0 0.0 3.99 415 415 A 34 CYS H A 35 ALA H 1.0 0.0 4.42 416 416 A 34 CYS HBy A 35 ALA H 1.0 0.0 4.65 417 417 A 5 LEU HG A 5 LEU H 1.0 0.0 4.40 418 418 A 7 TYR HBy A 8 ARG H 1.0 0.0 5.50 419 419 A 11 CYS H A 11 CYS HBy 1.0 0.0 4.19 420 420 A 29 LEU HG A 11 CYS H 1.0 0.0 5.50 421 421 A 13 PHE H A 14 PHE H 1.0 0.0 5.00 422 422 A 50 CYS HBx A 15 GLU H 1.0 0.0 5.11 423 423 A 18 VAL HA A 19 ALA H 1.0 0.0 3.35 424 424 A 57 TRP HZ2 A 20 ARG H 1.0 0.0 5.50 425 425 A 20 ARG H A 20 ARG HDy 1.0 0.0 5.50 426 426 A 20 ARG H A 20 ARG HDx 1.0 0.0 5.50 427 427 A 22 ASN H A 21 ALA H 1.0 0.0 3.94 428 428 A 20 ARG H A 21 ALA H 1.0 0.0 4.09 429 429 A 19 ALA HA A 21 ALA H 1.0 0.0 5.03 430 430 A 42 LEU HBx A 22 ASN HD2x 1.0 0.0 5.44 431 431 A 18 VAL HA A 22 ASN HD2x 1.0 0.0 5.50 432 432 A 22 ASN HA A 22 ASN HD2x 1.0 0.0 5.30 433 433 A 22 ASN HD2x A 19 ALA H 1.0 0.0 4.86 434 434 A 19 ALA HA A 22 ASN H 1.0 0.0 4.90 435 435 A 22 ASN HBx A 22 ASN H 1.0 0.0 3.66 436 436 A 20 ARG HA A 22 ASN H 1.0 0.0 4.41 437 437 A 22 ASN HBy A 22 ASN H 1.0 0.0 3.86 438 438 A 19 ALA H A 22 ASN H 1.0 0.0 5.50 439 439 A 23 VAL H A 21 ALA H 1.0 0.0 5.40 440 440 A 43 LYS HA A 24 LYS H 1.0 0.0 5.50 441 441 A 40 ALA HA A 27 LYS H 1.0 0.0 4.76 442 442 A 26 LEU HA A 27 LYS H 1.0 0.0 3.57 443 443 A 39 VAL HB A 27 LYS H 1.0 0.0 4.94 444 444 A 26 LEU HG A 27 LYS H 1.0 0.0 3.76 445 445 A 29 LEU HBy A 30 ASN H 1.0 0.0 5.02 446 446 A 30 ASN HA A 30 ASN HD2x 1.0 0.0 5.50 447 447 A 34 CYS H A 33 ASN H 1.0 0.0 3.86 448 448 A 32 PRO HBx A 33 ASN HD2x 1.0 0.0 5.50 449 449 A 33 ASN HD2x A 32 PRO HBy 1.0 0.0 5.50 450 450 A 33 ASN HD2x A 33 ASN HA 1.0 0.0 5.50 451 451 A 32 PRO HBx A 33 ASN HD2y 1.0 0.0 5.50 452 452 A 32 PRO HBy A 33 ASN HD2y 1.0 0.0 5.50 453 453 A 33 ASN HA A 33 ASN HD2y 1.0 0.0 5.50 454 454 A 45 ASN HD2x A 45 ASN HA 1.0 0.0 4.79 455 455 A 41 ARG HBx A 42 LEU H 1.0 0.0 4.36 456 456 A 39 VAL HA A 40 ALA H 1.0 0.0 3.53 457 457 A 46 ASN H A 45 ASN H 1.0 0.0 5.31 458 458 A 42 LEU HBx A 45 ASN H 1.0 0.0 5.50 459 459 A 59 GLN HA A 59 GLN HE2x 1.0 0.0 5.50 460 460 A 54 LYS HA A 59 GLN HE2x 1.0 0.0 5.43 461 461 A 59 GLN HA A 59 GLN HE2y 1.0 0.0 5.50 462 462 A 40 ALA H A 51 ILE H 1.0 0.0 5.21 463 463 A 52 ASP H A 51 ILE H 1.0 0.0 5.50 464 464 A 39 VAL HA A 51 ILE H 1.0 0.0 4.80 465 465 A 50 CYS HBy A 51 ILE H 1.0 0.0 5.16 466 466 A 15 GLU HBx A 50 CYS H 1.0 0.0 5.49 467 467 A 57 TRP HE1 A 57 TRP H 1.0 0.0 5.37 468 468 A 19 ALA HA A 57 TRP HE1 1.0 0.0 4.20 469 469 A 18 VAL HA A 57 TRP HE1 1.0 0.0 5.50 470 470 A 20 ARG HA A 57 TRP HE1 1.0 0.0 5.34 471 471 A 57 TRP HE1 A 20 ARG HBx 1.0 0.0 5.28 472 472 A 57 TRP HA A 60 GLU H 1.0 0.0 5.24 473 473 A 65 ALA H A 66 LEU H 1.0 0.0 3.04 474 474 A 62 LEU HA A 66 LEU H 1.0 0.0 5.14 475 475 A 11 CYS H A 11 CYS HBx 1.0 0.0 4.19 476 476 A 2 PRO HA A 3 VAL H 1.0 0.0 3.24 477 477 A 20 ARG HBy A 20 ARG H 1.0 0.0 3.84 478 478 A 20 ARG H A 20 ARG HGx 1.0 0.0 5.50 479 479 A 20 ARG HBx A 20 ARG H 1.0 0.0 3.92 480 480 A 22 ASN HBy A 23 VAL H 1.0 0.0 4.93 481 481 A 39 VAL HB A 39 VAL H 1.0 0.0 4.17 482 482 A 51 ILE HG1y A 50 CYS H 1.0 0.0 5.50 483 483 A 49 VAL HB A 49 VAL H 1.0 0.0 4.08 484 484 A 41 ARG HGy A 49 VAL H 1.0 0.0 5.16 485 485 A 48 GLN HA A 49 VAL H 1.0 0.0 3.30 486 486 A 57 TRP HE1 A 19 ALA H 1.0 0.0 5.50 487 487 A 48 GLN HBy A 48 GLN HE2x 1.0 0.0 4.72 488 488 A 30 ASN HA A 37 GLN H 1.0 0.0 5.26 489 489 A 9 CYS HA A 11 CYS H 1.0 0.0 5.19 490 490 A 51 ILE HG1y A 15 GLU H 1.0 0.0 5.50 491 491 A 57 TRP HE1 A 18 VAL H 1.0 0.0 5.50 492 492 A 31 THR HB A 34 CYS H 1.0 0.0 5.28 493 493 A 43 LYS HBy A 24 LYS H 1.0 0.0 5.08 494 494 A 42 LEU HA A 24 LYS H 1.0 0.0 4.77 495 495 A 25 HIS HD2 A 25 HIS H 1.0 0.0 5.50 496 496 A 29 LEU H A 30 ASN H 1.0 0.0 5.50 497 497 A 30 ASN H A 31 THR H 1.0 0.0 5.50 498 498 A 35 ALA HA A 31 THR H 1.0 0.0 5.45 499 499 A 45 ASN HD2y A 45 ASN HA 1.0 0.0 5.12 500 500 A 37 GLN HBx A 37 GLN HE2x 1.0 0.0 5.40 501 501 A 38 ILE H A 51 ILE H 1.0 0.0 5.50 502 502 A 29 LEU HBy A 39 VAL H 1.0 0.0 5.13 503 503 A 41 ARG H A 40 ALA H 1.0 0.0 5.45 504 504 A 43 LYS H A 42 LEU H 1.0 0.0 4.91 505 505 A 22 ASN HBx A 43 LYS H 1.0 0.0 5.50 506 506 A 43 LYS HEx A 43 LYS H 1.0 0.0 5.42 507 507 A 43 LYS HEy A 43 LYS H 1.0 0.0 5.50 508 508 A 43 LYS H A 45 ASN H 1.0 0.0 5.50 509 509 A 44 ASN HD2y A 45 ASN H 1.0 0.0 5.50 510 510 A 44 ASN HD2x A 45 ASN H 1.0 0.0 5.50 511 511 A 44 ASN HBx A 45 ASN H 1.0 0.0 5.50 512 512 A 44 ASN HBy A 45 ASN H 1.0 0.0 5.50 513 513 A 48 GLN HBy A 48 GLN H 1.0 0.0 3.87 514 514 A 48 GLN HBy A 48 GLN HE2y 1.0 0.0 5.00 515 515 A 50 CYS H A 15 GLU HGx 1.0 0.0 5.47 516 516 A 50 CYS H A 15 GLU HGy 1.0 0.0 5.47 517 517 A 57 TRP HE1 A 20 ARG HBy 1.0 0.0 5.50 518 518 A 63 GLU H A 64 LYS H 1.0 0.0 3.75 519 519 A 60 GLU H A 60 GLU HBy 1.0 0.0 3.67 520 520 A 58 CYS H A 60 GLU H 1.0 0.0 4.60 521 521 A 59 GLN H A 60 GLU H 1.0 0.0 2.74 522 522 A 59 GLN H A 61 TYR H 1.0 0.0 4.52 523 523 A 52 ASP H A 55 CYS H 1.0 0.0 5.25 524 524 A 15 GLU H A 52 ASP H 1.0 0.0 4.68 525 525 A 61 TYR H A 60 GLU HBx 1.0 0.0 4.78 526 526 A 61 TYR HBy A 61 TYR H 1.0 0.0 4.14 527 527 A 62 LEU H A 64 LYS H 1.0 0.0 5.19 528 528 A 62 LEU H A 63 GLU H 1.0 0.0 3.81 529 529 A 64 LYS H A 64 LYS HGx 1.0 0.0 4.46 530 530 A 61 TYR HA A 64 LYS H 1.0 0.0 4.78 531 531 A 64 LYS H A 66 LEU H 1.0 0.0 4.21 532 532 A 61 TYR HA A 65 ALA H 1.0 0.0 4.93 533 533 A 66 LEU H A 67 ASN H 1.0 0.0 3.05 534 534 A 67 ASN H A 68 LYS H 1.0 0.0 4.35 535 535 B 207 TYR HA A 68 LYS H 1.0 0.0 3.63 536 536 A 65 ALA HA A 68 LYS H 1.0 0.0 3.78 537 537 A 25 HIS HBx A 41 ARG H 1.0 0.0 4.68 538 538 A 38 ILE HA A 29 LEU H 1.0 0.0 3.72 539 539 A 43 LYS H A 47 ARG H 1.0 0.0 5.50 540 540 A 55 CYS H A 54 LYS HBy 1.0 0.0 3.97 541 541 A 36 LEU HA A 29 LEU H 1.0 0.0 5.50 542 542 A 17 HIS HE1 A 16 SER HB2 1.0 0.0 5.21 543 543 A 25 HIS HE1 B 207 TYR HBy 1.0 0.0 4.85 544 544 A 25 HIS HE1 B 206 ILE HB 1.0 0.0 4.73 545 545 A 27 LYS HGy A 25 HIS HE1 1.0 0.0 5.23 546 546 A 58 CYS HA A 57 TRP HE3 1.0 0.0 4.91 547 547 A 17 HIS HD2 A 16 SER HB2 1.0 0.0 4.31 548 548 A 57 TRP HZ2 A 18 VAL HB 1.0 0.0 4.85 549 549 A 58 CYS HA A 57 TRP HZ3 1.0 0.0 5.50 550 550 A 61 TYR HBx A 57 TRP HZ3 1.0 0.0 5.28 551 551 A 19 ALA HA A 57 TRP HD1 1.0 0.0 4.86 552 552 A 57 TRP HA A 57 TRP HD1 1.0 0.0 5.12 553 553 A 57 TRP HD1 A 20 ARG H 1.0 0.0 4.82 554 554 A 17 HIS HD2 A 17 HIS HA 1.0 0.0 5.22 555 555 A 57 TRP HD1 A 20 ARG HBx 1.0 0.0 5.30 556 556 A 57 TRP HE3 A 58 CYS HBx 1.0 0.0 5.50 557 557 A 51 ILE HA A 57 TRP HZ2 1.0 0.0 5.50 558 558 A 51 ILE HG1x A 57 TRP HZ2 1.0 0.0 5.43 559 559 A 57 TRP HH2 A 61 TYR HBy 1.0 0.0 5.50 560 560 A 57 TRP HH2 A 58 CYS HBx 1.0 0.0 5.50 561 561 A 27 LYS HGy A 25 HIS HD2 1.0 0.0 5.50 562 562 A 41 ARG HGx A 25 HIS HD2 1.0 0.0 4.39 563 563 B 206 ILE HD1% B 206 ILE HA 1.0 0.0 5.50 564 564 B 204 ILE HD1% B 204 ILE HA 1.0 0.0 5.43 565 565 B 204 ILE HG1x B 204 ILE H 1.0 0.0 5.08 566 566 B 204 ILE HD1% B 204 ILE H 1.0 0.0 5.50 567 567 B 206 ILE HD1% B 206 ILE H 1.0 0.0 5.50 568 568 B 206 ILE HD1% B 207 TYR H 1.0 0.0 5.50 569 569 B 226 GLU H B 225 LYS HBx 1.0 0.0 5.10 570 570 B 224 MET H B 224 MET HGx 1.0 0.0 5.24 571 571 B 204 ILE HA B 205 SER HB2 1.0 0.0 5.50 572 572 B 206 ILE HG1x B 206 ILE H 1.0 0.0 5.39 573 573 B 206 ILE HG1y B 206 ILE H 1.0 0.0 5.34 574 574 B 213 THR HB B 214 GLU H 1.0 0.0 4.24 575 575 B 213 THR HB B 215 GLU H 1.0 0.0 5.50 576 576 B 206 ILE HB B 207 TYR H 1.0 0.0 5.50 577 577 A 62 LEU HA B 206 ILE HD1% 1.0 0.0 5.50 578 578 B 224 MET HBx B 225 LYS H 1.0 0.0 5.06 579 579 B 225 LYS H B 224 MET HBy 1.0 0.0 5.06 580 580 B 227 PRO HDy B 226 GLU HBy 1.0 0.0 5.50 581 581 B 227 PRO HDy B 226 GLU HBx 1.0 0.0 5.50 582 582 B 227 PRO HDx B 226 GLU HBx 1.0 0.0 5.50 583 583 B 216 MET HBx B 217 GLY H 1.0 0.0 5.36 584 584 B 207 TYR HBx B 208 THR H 1.0 0.0 5.50 585 585 B 227 PRO HDx B 226 GLU H 1.0 0.0 5.39 586 586 B 227 PRO HDy B 226 GLU H 1.0 0.0 5.50 587 587 B 227 PRO HDx B 226 GLU HBy 1.0 0.0 5.50 588 588 B 221 TYR H B 220 ASP HBx 1.0 0.0 5.50 589 589 B 221 TYR H B 220 ASP HBy 1.0 0.0 5.50 590 590 B 222 ASP HBy B 223 SER H 1.0 0.0 5.50 591 591 B 209 SER HBx B 210 ASP H 1.0 0.0 5.50 592 592 B 204 ILE HG1y B 204 ILE H 1.0 0.0 5.28 593 593 B 204 ILE HB B 205 SER H 1.0 0.0 5.50 594 594 B 205 SER HB2 B 206 ILE H 1.0 0.0 5.19 595 595 B 212 TYR H B 213 THR H 1.0 0.0 4.97 596 596 B 212 TYR H B 211 ASN H 1.0 0.0 4.90 597 597 B 224 MET HA B 226 GLU H 1.0 0.0 5.26 598 598 B 213 THR H B 214 GLU H 1.0 0.0 4.95 599 599 B 203 GLY H B 204 ILE H 1.0 0.0 5.50 600 600 B 219 GLY H B 220 ASP H 1.0 0.0 5.49 601 601 B 223 SER HA B 222 ASP H 1.0 0.0 5.50 602 602 B 221 TYR HBx B 222 ASP H 1.0 0.0 4.91 603 603 B 221 TYR HBy B 222 ASP H 1.0 0.0 4.96 604 604 B 222 ASP HBx B 223 SER H 1.0 0.0 5.50 605 605 B 224 MET HGy B 224 MET H 1.0 0.0 5.24 606 606 B 225 LYS H B 224 MET H 1.0 0.0 4.29 607 607 B 225 LYS H B 224 MET HGx 1.0 0.0 5.50 608 608 B 228 ALA H B 229 PHE H 1.0 0.0 4.76 609 609 B 227 PRO HA B 229 PHE H 1.0 0.0 5.50 610 610 B 229 PHE HA B 231 GLU H 1.0 0.0 5.50 611 611 B 230 ARG HBy B 231 GLU H 1.0 0.0 5.36 612 612 B 230 ARG HBx B 231 GLU H 1.0 0.0 5.11 613 613 B 235 ASN HBx B 236 PHE H 1.0 0.0 5.50 614 614 B 237 ASN HBx B 238 LYS H 1.0 0.0 5.50 615 615 B 237 ASN HBy B 238 LYS H 1.0 0.0 5.50 616 616 B 204 ILE H B 205 SER H 1.0 0.0 5.31 617 617 B 206 ILE H B 207 TYR H 1.0 0.0 5.50 618 618 B 208 THR HB B 209 SER H 1.0 0.0 5.50 619 619 B 210 ASP H B 211 ASN H 1.0 0.0 5.02 620 620 B 218 SER HB2 B 219 GLY H 1.0 0.0 5.36 621 621 B 232 GLU H B 233 ASN H 1.0 0.0 4.44 622 622 B 231 GLU H B 232 GLU H 1.0 0.0 5.50 623 623 B 230 ARG H B 231 GLU H 1.0 0.0 5.39 624 624 B 227 PRO HDy B 228 ALA H 1.0 0.0 5.50 625 625 B 225 LYS H B 226 GLU H 1.0 0.0 4.29 626 626 A 16 SER HA B 225 LYS H 1.0 0.0 5.50 627 627 B 222 ASP HA B 224 MET H 1.0 0.0 5.50 628 628 B 220 ASP H B 221 TYR H 1.0 0.0 2.67 629 629 B 209 SER HBy B 210 ASP H 1.0 0.0 5.50 630 630 B 214 GLU HA B 215 GLU H 1.0 0.0 3.47 631 631 B 208 THR H B 209 SER H 1.0 0.0 5.50 632 632 B 207 TYR HBy B 208 THR H 1.0 0.0 5.50 633 633 B 221 TYR H B 222 ASP H 1.0 0.0 4.46 634 634 B 223 SER H B 224 MET H 1.0 0.0 4.41 635 635 B 202 GLU H B 203 GLY H 1.0 0.0 2.64 636 636 B 225 LYS H B 224 MET HGy 1.0 0.0 5.50 637 637 B 217 GLY H B 216 MET HBy 1.0 0.0 5.36 638 638 B 209 SER H B 210 ASP H 1.0 0.0 5.02 639 639 B 214 GLU H B 215 GLU H 1.0 0.0 4.51 640 640 B 216 MET H B 217 GLY H 1.0 0.0 3.20 641 641 B 222 ASP H B 223 SER H 1.0 0.0 3.69 642 642 B 229 PHE H B 230 ARG H 1.0 0.0 2.75 643 643 B 226 GLU H B 225 LYS HBy 1.0 0.0 5.10 644 644 B 235 ASN HBy B 236 PHE H 1.0 0.0 5.50 645 645 A 9 CYS SG A 34 CYS SG 1.0 2.0 2.10 646 646 A 9 CYS SG A 34 CYS CB 1.0 3.0 3.10 647 647 A 34 CYS SG A 9 CYS CB 1.0 3.0 3.10 648 648 A 11 CYS SG A 50 CYS SG 1.0 2.0 2.10 649 649 A 11 CYS SG A 50 CYS CB 1.0 3.0 3.10 650 650 A 50 CYS SG A 11 CYS CB 1.0 3.0 3.10 651 651 A 55 CYS SG A 58 CYS SG 1.0 2.0 2.10 652 652 A 55 CYS SG A 58 CYS CB 1.0 3.0 3.10 653 653 A 58 CYS SG A 55 CYS CB 1.0 3.0 3.10 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 LYS HA A 2 PRO HDy 1.0 . 3.82 2 2 A 1 LYS HA A 2 PRO HDx 1.0 . 3.29 3 2 A 1 LYS HA A 2 PRO HDy 1.0 . 3.29 4 3 A 1 LYS HA A 2 PRO HG2 1.0 . 5.50 5 3 A 1 LYS HA A 2 PRO HG3 1.0 . 5.50 6 4 A 1 LYS HE3 A 1 LYS HBy 1.0 . 5.50 7 4 A 1 LYS HBy A 1 LYS HE2 1.0 . 5.50 8 5 A 2 PRO HDy A 1 LYS HBy 1.0 . 5.50 9 6 A 1 LYS HBy A 1 LYS HD2 1.0 . 2.38 10 6 A 1 LYS HBx A 1 LYS HD2 1.0 . 2.38 11 6 A 1 LYS HD3 A 1 LYS HBy 1.0 . 2.38 12 6 A 1 LYS HBx A 1 LYS HD3 1.0 . 2.38 13 7 A 1 LYS HBy A 2 PRO HDx 1.0 . 4.09 14 7 A 1 LYS HBx A 2 PRO HDx 1.0 . 4.09 15 7 A 2 PRO HDy A 1 LYS HBy 1.0 . 4.09 16 7 A 2 PRO HDy A 1 LYS HBx 1.0 . 4.09 17 8 A 2 PRO HDy A 1 LYS HG2 1.0 . 5.50 18 8 A 2 PRO HDy A 1 LYS HG3 1.0 . 5.50 19 9 A 2 PRO HA A 3 VAL H 1.0 . 3.24 20 10 A 3 VAL H A 3 VAL HG1% 1.0 . 3.90 21 10 A 3 VAL H A 3 VAL HG2% 1.0 . 3.90 22 11 A 3 VAL HA A 3 VAL HG1% 1.0 . 4.04 23 11 A 3 VAL HA A 3 VAL HG2% 1.0 . 4.04 24 12 A 4 SER H A 3 VAL HG1% 1.0 . 5.42 25 12 A 3 VAL HG2% A 4 SER H 1.0 . 5.42 26 13 A 4 SER HA A 3 VAL HG1% 1.0 . 5.43 27 13 A 4 SER HA A 3 VAL HG2% 1.0 . 5.43 28 14 A 3 VAL HG2% A 4 SER HB3 1.0 . 5.50 29 14 A 3 VAL HG1% A 4 SER HB3 1.0 . 5.50 30 14 A 4 SER HB2 A 3 VAL HG1% 1.0 . 5.50 31 14 A 3 VAL HG2% A 4 SER HB2 1.0 . 5.50 32 15 A 5 LEU H A 4 SER HB3 1.0 . 5.50 33 15 A 4 SER HB2 A 5 LEU H 1.0 . 5.50 34 16 A 5 LEU HG A 5 LEU H 1.0 . 4.40 35 17 A 5 LEU H A 5 LEU HD1% 1.0 . 5.50 36 17 A 5 LEU H A 5 LEU HD2% 1.0 . 5.50 37 18 A 5 LEU HA A 5 LEU HG 1.0 . 4.14 38 19 A 5 LEU HA A 5 LEU HD1% 1.0 . 3.79 39 19 A 5 LEU HA A 5 LEU HD2% 1.0 . 3.79 40 20 A 5 LEU HA A 7 TYR HE% 1.0 . 5.44 41 21 A 5 LEU HG A 5 LEU HB2 1.0 . 2.70 42 21 A 5 LEU HG A 5 LEU HB3 1.0 . 2.70 43 22 A 5 LEU HB3 A 5 LEU HD1% 1.0 . 3.42 44 22 A 5 LEU HB2 A 5 LEU HD1% 1.0 . 3.42 45 22 A 5 LEU HD2% A 5 LEU HB2 1.0 . 3.42 46 22 A 5 LEU HD2% A 5 LEU HB3 1.0 . 3.42 47 23 A 6 SER H A 5 LEU HB2 1.0 . 5.50 48 23 A 5 LEU HB3 A 6 SER H 1.0 . 5.50 49 24 A 7 TYR H A 6 SER HB3 1.0 . 4.99 50 24 A 6 SER HB2 A 7 TYR H 1.0 . 4.99 51 25 A 7 TYR H A 7 TYR HD% 1.0 . 4.87 52 26 A 7 TYR HE% A 7 TYR H 1.0 . 5.50 53 27 A 7 TYR HA A 7 TYR HD% 1.0 . 3.88 54 28 A 7 TYR HBy A 8 ARG H 1.0 . 5.50 55 29 A 7 TYR HD% A 8 ARG H 1.0 . 4.87 56 30 A 7 TYR HD% B 211 ASN HB2 1.0 . 5.50 57 30 A 7 TYR HD% B 211 ASN HB3 1.0 . 5.50 58 31 A 7 TYR HD% B 212 TYR H 1.0 . 4.67 59 32 B 212 TYR HA A 7 TYR HD% 1.0 . 5.50 60 33 B 216 MET HA A 7 TYR HD% 1.0 . 4.85 61 34 A 7 TYR HD% B 216 MET HBy 1.0 . 5.08 62 34 A 7 TYR HD% B 216 MET HBx 1.0 . 5.08 63 35 A 7 TYR HE% A 8 ARG H 1.0 . 5.50 64 36 A 9 CYS HA A 7 TYR HE% 1.0 . 5.36 65 37 A 10 PRO HA A 7 TYR HE% 1.0 . 4.94 66 38 A 7 TYR HE% A 10 PRO HD2 1.0 . 5.08 67 38 A 7 TYR HE% A 10 PRO HD3 1.0 . 5.08 68 39 A 7 TYR HE% A 10 PRO HG2 1.0 . 5.50 69 39 A 7 TYR HE% A 10 PRO HG3 1.0 . 5.50 70 40 A 7 TYR HE% B 211 ASN HB2 1.0 . 5.50 71 40 A 7 TYR HE% B 211 ASN HB3 1.0 . 5.50 72 41 A 7 TYR HE% B 212 TYR H 1.0 . 5.50 73 42 B 212 TYR HA A 7 TYR HE% 1.0 . 4.78 74 43 B 216 MET HA A 7 TYR HE% 1.0 . 5.22 75 44 A 7 TYR HE% B 216 MET HBy 1.0 . 5.34 76 44 A 7 TYR HE% B 216 MET HBx 1.0 . 5.34 77 45 A 8 ARG H A 8 ARG HG2 1.0 . 4.73 78 45 A 8 ARG H A 8 ARG HG3 1.0 . 4.73 79 46 A 8 ARG HA A 8 ARG HD2 1.0 . 5.01 80 46 A 8 ARG HA A 8 ARG HD3 1.0 . 5.01 81 47 A 8 ARG HA A 8 ARG HG2 1.0 . 4.09 82 47 A 8 ARG HA A 8 ARG HG3 1.0 . 4.09 83 48 A 8 ARG HBy A 9 CYS H 1.0 . 5.15 84 49 A 9 CYS H A 8 ARG HD2 1.0 . 5.50 85 49 A 8 ARG HD3 A 9 CYS H 1.0 . 5.50 86 50 A 9 CYS H A 8 ARG HG2 1.0 . 5.31 87 50 A 8 ARG HG3 A 9 CYS H 1.0 . 5.31 88 51 A 34 CYS SG A 9 CYS CB 1.0 . 3.10 89 52 A 9 CYS H A 10 PRO HD2 1.0 . 5.04 90 52 A 10 PRO HD3 A 9 CYS H 1.0 . 5.04 91 53 A 9 CYS HA A 10 PRO HD2 1.0 . 3.78 92 53 A 9 CYS HA A 10 PRO HD3 1.0 . 3.78 93 54 A 9 CYS HA A 10 PRO HG2 1.0 . 4.83 94 54 A 9 CYS HA A 10 PRO HG3 1.0 . 4.83 95 55 A 9 CYS HA A 11 CYS H 1.0 . 5.19 96 56 A 9 CYS HA A 31 THR HG2% 1.0 . 5.14 97 57 A 10 PRO HA A 9 CYS HBx 1.0 . 5.50 98 58 A 10 PRO HD3 A 9 CYS HBx 1.0 . 4.69 99 58 A 9 CYS HBx A 10 PRO HD2 1.0 . 4.69 100 59 A 37 GLN HE2x A 9 CYS HBx 1.0 . 5.50 101 60 A 37 GLN HE2y A 9 CYS HBx 1.0 . 5.50 102 61 A 9 CYS HBx A 10 PRO HD2 1.0 . 4.09 103 61 A 9 CYS HBy A 10 PRO HD2 1.0 . 4.09 104 61 A 10 PRO HD3 A 9 CYS HBy 1.0 . 4.09 105 61 A 10 PRO HD3 A 9 CYS HBx 1.0 . 4.09 106 62 A 11 CYS H A 9 CYS HBy 1.0 . 4.75 107 62 A 11 CYS H A 9 CYS HBx 1.0 . 4.75 108 63 A 9 CYS HBy A 34 CYS HBx 1.0 . 4.63 109 63 A 9 CYS HBx A 34 CYS HBx 1.0 . 4.63 110 63 A 34 CYS HBy A 9 CYS HBy 1.0 . 4.63 111 63 A 9 CYS HBx A 34 CYS HBy 1.0 . 4.63 112 64 A 9 CYS SG A 34 CYS CB 1.0 . 3.10 113 65 A 9 CYS SG A 34 CYS SG 1.0 . 2.10 114 66 A 11 CYS H A 10 PRO HBy 1.0 . 4.09 115 66 A 11 CYS H A 10 PRO HBx 1.0 . 4.09 116 67 B 212 TYR HD% A 10 PRO HBy 1.0 . 4.52 117 67 A 10 PRO HBx B 212 TYR HD% 1.0 . 4.52 118 68 A 11 CYS H A 10 PRO HD2 1.0 . 4.43 119 68 A 10 PRO HD3 A 11 CYS H 1.0 . 4.43 120 69 B 212 TYR HD% A 10 PRO HD2 1.0 . 4.67 121 69 A 10 PRO HD3 B 212 TYR HD% 1.0 . 4.67 122 70 B 212 TYR HE% A 10 PRO HD2 1.0 . 4.47 123 70 A 10 PRO HD3 B 212 TYR HE% 1.0 . 4.47 124 71 A 10 PRO HD3 A 29 LEU HD1% 1.0 . 4.68 125 71 A 10 PRO HD2 A 29 LEU HD1% 1.0 . 4.68 126 71 A 29 LEU HD2% A 10 PRO HD2 1.0 . 4.68 127 71 A 10 PRO HD3 A 29 LEU HD2% 1.0 . 4.68 128 72 A 37 GLN HE2x A 10 PRO HD2 1.0 . 5.50 129 72 A 37 GLN HE2x A 10 PRO HD3 1.0 . 5.50 130 73 A 37 GLN HE2y A 10 PRO HD2 1.0 . 5.50 131 73 A 37 GLN HE2y A 10 PRO HD3 1.0 . 5.50 132 74 A 11 CYS H A 10 PRO HG2 1.0 . 4.26 133 74 A 10 PRO HG3 A 11 CYS H 1.0 . 4.26 134 75 B 212 TYR HD% A 10 PRO HG2 1.0 . 4.32 135 75 A 10 PRO HG3 B 212 TYR HD% 1.0 . 4.32 136 76 A 29 LEU HG A 10 PRO HG2 1.0 . 5.11 137 76 A 29 LEU HG A 10 PRO HG3 1.0 . 5.11 138 77 A 10 PRO HG3 A 29 LEU HD1% 1.0 . 4.40 139 77 A 10 PRO HG2 A 29 LEU HD1% 1.0 . 4.40 140 77 A 29 LEU HD2% A 10 PRO HG2 1.0 . 4.40 141 77 A 10 PRO HG3 A 29 LEU HD2% 1.0 . 4.40 142 78 A 31 THR HG2% A 10 PRO HG2 1.0 . 4.91 143 78 A 10 PRO HG3 A 31 THR HG2% 1.0 . 4.91 144 79 A 37 GLN HE2x A 10 PRO HG3 1.0 . 5.34 145 79 A 37 GLN HE2y A 10 PRO HG3 1.0 . 5.34 146 79 A 37 GLN HE2y A 10 PRO HG2 1.0 . 5.34 147 79 A 37 GLN HE2x A 10 PRO HG2 1.0 . 5.34 148 80 A 50 CYS SG A 11 CYS CB 1.0 . 3.10 149 81 A 11 CYS H A 11 CYS HBy 1.0 . 4.19 150 82 A 11 CYS H A 11 CYS HBx 1.0 . 3.68 151 82 A 11 CYS H A 11 CYS HBy 1.0 . 3.68 152 83 A 29 LEU HG A 11 CYS H 1.0 . 5.50 153 84 A 11 CYS H A 29 LEU HD1% 1.0 . 5.17 154 84 A 11 CYS H A 29 LEU HD2% 1.0 . 5.17 155 85 A 37 GLN HE2y A 11 CYS H 1.0 . 5.24 156 85 A 37 GLN HE2x A 11 CYS H 1.0 . 5.24 157 86 A 50 CYS HBx A 11 CYS HBx 1.0 . 5.00 158 86 A 50 CYS HBx A 11 CYS HBy 1.0 . 5.00 159 87 A 11 CYS SG A 50 CYS CB 1.0 . 3.10 160 88 A 11 CYS SG A 50 CYS SG 1.0 . 2.10 161 89 A 12 ARG HA A 12 ARG HD2 1.0 . 4.63 162 89 A 12 ARG HA A 12 ARG HD3 1.0 . 4.63 163 90 A 12 ARG HA A 13 PHE HBy 1.0 . 5.34 164 90 A 12 ARG HA A 13 PHE HBx 1.0 . 5.34 165 91 A 12 ARG HA A 14 PHE HE% 1.0 . 5.50 166 92 A 12 ARG HGy A 13 PHE HD% 1.0 . 5.50 167 93 A 12 ARG HGy A 13 PHE HE% 1.0 . 5.50 168 94 A 12 ARG HB2 A 12 ARG HD2 1.0 . 3.83 169 94 A 12 ARG HB3 A 12 ARG HD2 1.0 . 3.83 170 94 A 12 ARG HD3 A 12 ARG HB2 1.0 . 3.83 171 94 A 12 ARG HD3 A 12 ARG HB3 1.0 . 3.83 172 95 A 13 PHE H A 12 ARG HB2 1.0 . 4.37 173 95 A 12 ARG HB3 A 13 PHE H 1.0 . 4.37 174 96 A 12 ARG HB3 A 13 PHE HBy 1.0 . 5.34 175 96 A 12 ARG HB2 A 13 PHE HBy 1.0 . 5.34 176 96 A 13 PHE HBx A 12 ARG HB2 1.0 . 5.34 177 96 A 13 PHE HBx A 12 ARG HB3 1.0 . 5.34 178 97 A 13 PHE HD% A 12 ARG HB2 1.0 . 4.50 179 97 A 13 PHE HD% A 12 ARG HB3 1.0 . 4.50 180 98 A 13 PHE HE% A 12 ARG HB2 1.0 . 5.25 181 98 A 13 PHE HE% A 12 ARG HB3 1.0 . 5.25 182 99 A 13 PHE H A 12 ARG HD2 1.0 . 5.24 183 99 A 12 ARG HD3 A 13 PHE H 1.0 . 5.24 184 100 A 13 PHE HD% A 12 ARG HD2 1.0 . 5.09 185 100 A 12 ARG HD3 A 13 PHE HD% 1.0 . 5.09 186 101 A 13 PHE HE% A 12 ARG HD2 1.0 . 5.25 187 101 A 12 ARG HD3 A 13 PHE HE% 1.0 . 5.25 188 102 A 13 PHE HD% A 13 PHE H 1.0 . 5.10 189 103 A 13 PHE H A 14 PHE H 1.0 . 5.00 190 104 A 13 PHE HA A 13 PHE HD% 1.0 . 4.27 191 105 A 13 PHE HA A 13 PHE HE% 1.0 . 5.50 192 106 A 13 PHE HA A 14 PHE HD% 1.0 . 4.90 193 107 A 14 PHE H A 13 PHE HBy 1.0 . 4.56 194 108 A 14 PHE H A 13 PHE HBy 1.0 . 3.93 195 108 A 13 PHE HBx A 14 PHE H 1.0 . 3.93 196 109 B 221 TYR HD% A 13 PHE HBy 1.0 . 5.34 197 109 A 13 PHE HBx B 221 TYR HD% 1.0 . 5.34 198 110 A 13 PHE HD% A 14 PHE H 1.0 . 5.15 199 111 A 13 PHE HE% A 14 PHE H 1.0 . 5.50 200 112 A 14 PHE H A 14 PHE HB2 1.0 . 3.95 201 112 A 14 PHE H A 14 PHE HB3 1.0 . 3.95 202 113 A 14 PHE H A 14 PHE HD% 1.0 . 4.51 203 114 A 14 PHE HE% A 14 PHE H 1.0 . 5.50 204 115 A 14 PHE H A 15 GLU H 1.0 . 5.03 205 116 A 14 PHE HA A 14 PHE HD% 1.0 . 4.60 206 117 A 14 PHE HA A 14 PHE HE% 1.0 . 5.50 207 118 A 14 PHE HA A 50 CYS H 1.0 . 4.54 208 119 A 50 CYS HBx A 14 PHE HA 1.0 . 5.11 209 120 A 15 GLU H A 14 PHE HB2 1.0 . 4.15 210 120 A 14 PHE HB3 A 15 GLU H 1.0 . 4.15 211 121 A 50 CYS H A 14 PHE HB2 1.0 . 5.35 212 121 A 14 PHE HB3 A 50 CYS H 1.0 . 5.35 213 122 A 52 ASP H A 14 PHE HB2 1.0 . 4.72 214 122 A 14 PHE HB3 A 52 ASP H 1.0 . 4.72 215 123 A 52 ASP HA A 14 PHE HB2 1.0 . 4.99 216 123 A 52 ASP HA A 14 PHE HB3 1.0 . 4.99 217 124 A 14 PHE HB3 A 52 ASP HBy 1.0 . 5.50 218 124 A 52 ASP HBy A 14 PHE HB2 1.0 . 5.50 219 125 A 14 PHE HB3 A 52 ASP HBx 1.0 . 4.70 220 125 A 14 PHE HB2 A 52 ASP HBx 1.0 . 4.70 221 125 A 52 ASP HBy A 14 PHE HB2 1.0 . 4.70 222 125 A 14 PHE HB3 A 52 ASP HBy 1.0 . 4.70 223 126 A 14 PHE HD% A 15 GLU H 1.0 . 4.76 224 127 A 14 PHE HD% B 224 MET HBy 1.0 . 5.34 225 127 A 14 PHE HD% B 224 MET HBx 1.0 . 5.34 226 128 A 50 CYS HBx A 14 PHE HD% 1.0 . 4.64 227 129 A 51 ILE HA A 14 PHE HD% 1.0 . 5.50 228 130 A 14 PHE HD% A 52 ASP H 1.0 . 5.13 229 131 A 52 ASP HA A 14 PHE HD% 1.0 . 4.61 230 132 A 14 PHE HD% A 52 ASP HBy 1.0 . 5.33 231 133 A 14 PHE HD% A 52 ASP HBx 1.0 . 4.66 232 133 A 14 PHE HD% A 52 ASP HBy 1.0 . 4.66 233 134 A 14 PHE HD% A 53 PRO HDx 1.0 . 5.50 234 135 A 14 PHE HD% A 53 PRO HGy 1.0 . 5.17 235 135 A 14 PHE HD% A 53 PRO HGx 1.0 . 5.17 236 136 A 14 PHE HE% A 35 ALA HB% 1.0 . 5.50 237 137 A 14 PHE HE% A 37 GLN HGy 1.0 . 5.22 238 137 A 14 PHE HE% A 37 GLN HGx 1.0 . 5.22 239 138 A 50 CYS HBx A 14 PHE HE% 1.0 . 4.94 240 139 A 52 ASP HA A 14 PHE HE% 1.0 . 5.36 241 140 A 14 PHE HE% A 53 PRO HDx 1.0 . 5.50 242 141 A 14 PHE HE% A 53 PRO HGy 1.0 . 5.35 243 141 A 14 PHE HE% A 53 PRO HGx 1.0 . 5.35 244 142 A 14 PHE HE% A 54 LYS HE2 1.0 . 5.50 245 142 A 14 PHE HE% A 54 LYS HE3 1.0 . 5.50 246 143 A 15 GLU HBx A 15 GLU H 1.0 . 3.82 247 144 A 15 GLU H A 15 GLU HGy 1.0 . 4.35 248 145 A 15 GLU H A 15 GLU HGx 1.0 . 3.79 249 145 A 15 GLU H A 15 GLU HGy 1.0 . 3.79 250 146 A 15 GLU H A 18 VAL HG1% 1.0 . 4.63 251 146 A 15 GLU H A 18 VAL HG2% 1.0 . 4.63 252 147 A 15 GLU H A 49 VAL HGy% 1.0 . 4.52 253 148 A 50 CYS HBx A 15 GLU H 1.0 . 5.11 254 149 A 51 ILE HA A 15 GLU H 1.0 . 4.47 255 150 A 15 GLU H A 52 ASP H 1.0 . 4.68 256 151 A 15 GLU HA A 18 VAL HG1% 1.0 . 5.04 257 151 A 15 GLU HA A 18 VAL HG2% 1.0 . 5.04 258 152 A 15 GLU HBx A 16 SER H 1.0 . 4.87 259 153 A 15 GLU HBx A 49 VAL HGx% 1.0 . 4.07 260 154 A 15 GLU HBx A 49 VAL HGy% 1.0 . 4.60 261 155 A 15 GLU HBx A 50 CYS H 1.0 . 5.49 262 156 A 15 GLU HBx A 52 ASP H 1.0 . 5.49 263 157 A 15 GLU HGy A 18 VAL HG2% 1.0 . 4.59 264 157 A 15 GLU HGy A 18 VAL HG1% 1.0 . 4.59 265 158 A 15 GLU HGy A 49 VAL HGy% 1.0 . 4.70 266 159 A 50 CYS H A 15 GLU HGy 1.0 . 5.47 267 160 A 15 GLU HGy A 18 VAL HG1% 1.0 . 3.88 268 160 A 15 GLU HGx A 18 VAL HG1% 1.0 . 3.88 269 160 A 18 VAL HG2% A 15 GLU HGx 1.0 . 3.88 270 160 A 15 GLU HGy A 18 VAL HG2% 1.0 . 3.88 271 161 A 49 VAL HB A 15 GLU HGx 1.0 . 4.71 272 161 A 49 VAL HB A 15 GLU HGy 1.0 . 4.71 273 162 A 49 VAL HGx% A 15 GLU HGx 1.0 . 3.98 274 162 A 15 GLU HGy A 49 VAL HGx% 1.0 . 3.98 275 163 A 50 CYS H A 15 GLU HGx 1.0 . 4.73 276 163 A 50 CYS H A 15 GLU HGy 1.0 . 4.73 277 164 A 16 SER HA B 225 LYS H 1.0 . 5.50 278 165 A 16 SER HA A 52 ASP HBy 1.0 . 5.32 279 166 A 17 HIS HD2 A 16 SER HB3 1.0 . 4.31 280 166 A 17 HIS HD2 A 16 SER HB2 1.0 . 4.31 281 167 A 17 HIS HE1 A 16 SER HB3 1.0 . 5.21 282 167 A 17 HIS HE1 A 16 SER HB2 1.0 . 5.21 283 168 A 16 SER HB3 A 17 HIS HB2 1.0 . 5.35 284 168 A 16 SER HB2 A 17 HIS HB2 1.0 . 5.35 285 168 A 17 HIS HB3 A 16 SER HB3 1.0 . 5.35 286 168 A 16 SER HB2 A 17 HIS HB3 1.0 . 5.35 287 169 A 16 SER HB2 B 224 MET HBy 1.0 . 5.34 288 169 A 16 SER HB3 B 224 MET HBy 1.0 . 5.34 289 169 B 224 MET HBx A 16 SER HB3 1.0 . 5.34 290 169 B 224 MET HBx A 16 SER HB2 1.0 . 5.34 291 170 A 16 SER HB2 B 224 MET HGx 1.0 . 5.34 292 170 A 16 SER HB3 B 224 MET HGx 1.0 . 5.34 293 170 B 224 MET HGy A 16 SER HB3 1.0 . 5.34 294 170 A 16 SER HB2 B 224 MET HGy 1.0 . 5.34 295 171 A 16 SER HB2 B 226 GLU HBx 1.0 . 5.34 296 171 A 16 SER HB3 B 226 GLU HBx 1.0 . 5.34 297 171 B 226 GLU HBy A 16 SER HB3 1.0 . 5.34 298 171 A 16 SER HB2 B 226 GLU HBy 1.0 . 5.34 299 172 A 17 HIS HD2 A 17 HIS HA 1.0 . 5.22 300 173 A 17 HIS HD2 A 17 HIS HB2 1.0 . 3.89 301 173 A 17 HIS HD2 A 17 HIS HB3 1.0 . 3.89 302 174 A 17 HIS HE1 A 17 HIS HB2 1.0 . 5.33 303 174 A 17 HIS HE1 A 17 HIS HB3 1.0 . 5.33 304 175 A 18 VAL H A 17 HIS HB2 1.0 . 4.97 305 175 A 17 HIS HB3 A 18 VAL H 1.0 . 4.97 306 176 A 18 VAL HB A 18 VAL H 1.0 . 4.04 307 177 A 18 VAL H A 18 VAL HG1% 1.0 . 3.82 308 177 A 18 VAL HG2% A 18 VAL H 1.0 . 3.82 309 178 A 18 VAL H A 19 ALA H 1.0 . 5.37 310 179 A 18 VAL H A 51 ILE HG2% 1.0 . 5.23 311 180 A 57 TRP HE1 A 18 VAL H 1.0 . 5.50 312 181 A 18 VAL HA A 18 VAL HG1% 1.0 . 3.71 313 181 A 18 VAL HA A 18 VAL HG2% 1.0 . 3.71 314 182 A 18 VAL HA A 19 ALA H 1.0 . 3.35 315 183 A 18 VAL HA A 19 ALA HB% 1.0 . 4.68 316 184 A 18 VAL HA A 22 ASN HD2x 1.0 . 5.50 317 185 A 18 VAL HA A 57 TRP HE1 1.0 . 5.50 318 186 A 18 VAL HB A 19 ALA H 1.0 . 4.95 319 187 A 51 ILE HD1% A 18 VAL HB 1.0 . 4.46 320 188 A 18 VAL HB A 51 ILE HG2% 1.0 . 5.34 321 189 A 18 VAL HB A 57 TRP HE1 1.0 . 5.06 322 190 A 57 TRP HH2 A 18 VAL HB 1.0 . 5.50 323 191 A 57 TRP HZ2 A 18 VAL HB 1.0 . 4.85 324 192 A 19 ALA H A 18 VAL HG1% 1.0 . 3.72 325 192 A 18 VAL HG2% A 19 ALA H 1.0 . 3.72 326 193 A 19 ALA HA A 18 VAL HG1% 1.0 . 4.87 327 193 A 19 ALA HA A 18 VAL HG2% 1.0 . 4.87 328 194 A 22 ASN H A 18 VAL HG1% 1.0 . 4.78 329 194 A 18 VAL HG2% A 22 ASN H 1.0 . 4.78 330 195 A 22 ASN HBx A 18 VAL HG1% 1.0 . 4.78 331 195 A 22 ASN HBx A 18 VAL HG2% 1.0 . 4.78 332 196 A 22 ASN HD2x A 18 VAL HG1% 1.0 . 4.87 333 196 A 22 ASN HD2x A 18 VAL HG2% 1.0 . 4.87 334 197 A 22 ASN HD2y A 18 VAL HG1% 1.0 . 5.21 335 197 A 22 ASN HD2y A 18 VAL HG2% 1.0 . 5.21 336 198 A 23 VAL H A 18 VAL HG1% 1.0 . 4.78 337 198 A 18 VAL HG2% A 23 VAL H 1.0 . 4.78 338 199 A 18 VAL HG2% A 23 VAL HGy% 1.0 . 2.81 339 199 A 18 VAL HG1% A 23 VAL HGy% 1.0 . 2.81 340 199 A 23 VAL HGx% A 18 VAL HG1% 1.0 . 2.81 341 199 A 18 VAL HG2% A 23 VAL HGx% 1.0 . 2.81 342 200 A 51 ILE HA A 18 VAL HG1% 1.0 . 5.50 343 200 A 51 ILE HA A 18 VAL HG2% 1.0 . 5.50 344 201 A 51 ILE HG1x A 18 VAL HG1% 1.0 . 4.48 345 201 A 51 ILE HG1x A 18 VAL HG2% 1.0 . 4.48 346 202 A 51 ILE HD1% A 18 VAL HG1% 1.0 . 3.40 347 202 A 51 ILE HD1% A 18 VAL HG2% 1.0 . 3.40 348 203 A 51 ILE HG2% A 18 VAL HG1% 1.0 . 3.68 349 203 A 18 VAL HG2% A 51 ILE HG2% 1.0 . 3.68 350 204 A 52 ASP H A 18 VAL HG1% 1.0 . 5.50 351 204 A 52 ASP H A 18 VAL HG2% 1.0 . 5.50 352 205 A 57 TRP HD1 A 18 VAL HG1% 1.0 . 5.50 353 205 A 57 TRP HD1 A 18 VAL HG2% 1.0 . 5.50 354 206 A 57 TRP HE1 A 18 VAL HG1% 1.0 . 4.53 355 206 A 57 TRP HE1 A 18 VAL HG2% 1.0 . 4.53 356 207 A 57 TRP HH2 A 18 VAL HG1% 1.0 . 4.76 357 207 A 57 TRP HH2 A 18 VAL HG2% 1.0 . 4.76 358 208 A 57 TRP HZ2 A 18 VAL HG1% 1.0 . 4.02 359 208 A 57 TRP HZ2 A 18 VAL HG2% 1.0 . 4.02 360 209 A 19 ALA H A 19 ALA HB% 1.0 . 3.40 361 210 A 19 ALA H A 20 ARG H 1.0 . 5.35 362 211 A 19 ALA H A 22 ASN H 1.0 . 5.50 363 212 A 22 ASN HBx A 19 ALA H 1.0 . 5.28 364 213 A 22 ASN HD2x A 19 ALA H 1.0 . 4.86 365 214 A 22 ASN HD2y A 19 ALA H 1.0 . 5.50 366 215 A 19 ALA H A 51 ILE HG2% 1.0 . 5.21 367 216 A 57 TRP HE1 A 19 ALA H 1.0 . 5.50 368 217 A 19 ALA HA A 20 ARG H 1.0 . 3.53 369 218 A 19 ALA HA A 21 ALA H 1.0 . 5.03 370 219 A 19 ALA HA A 22 ASN H 1.0 . 4.90 371 220 A 19 ALA HA A 57 TRP HD1 1.0 . 4.86 372 221 A 19 ALA HA A 57 TRP HE1 1.0 . 4.20 373 222 A 19 ALA HB% A 20 ARG H 1.0 . 3.82 374 223 A 19 ALA HB% A 21 ALA H 1.0 . 3.82 375 224 A 19 ALA HB% A 22 ASN H 1.0 . 3.92 376 225 A 22 ASN HBx A 19 ALA HB% 1.0 . 4.85 377 226 A 22 ASN HD2x A 19 ALA HB% 1.0 . 4.54 378 227 A 22 ASN HD2y A 19 ALA HB% 1.0 . 4.69 379 228 A 19 ALA HB% A 23 VAL HGy% 1.0 . 4.71 380 228 A 19 ALA HB% A 23 VAL HGx% 1.0 . 4.71 381 229 A 57 TRP HD1 A 19 ALA HB% 1.0 . 5.40 382 230 A 57 TRP HE1 A 19 ALA HB% 1.0 . 4.99 383 231 A 20 ARG HBx A 20 ARG H 1.0 . 3.92 384 232 A 20 ARG H A 20 ARG HDy 1.0 . 5.50 385 233 A 20 ARG H A 20 ARG HGy 1.0 . 5.50 386 234 A 20 ARG H A 20 ARG HGx 1.0 . 4.68 387 234 A 20 ARG H A 20 ARG HGy 1.0 . 4.68 388 235 A 20 ARG H A 21 ALA H 1.0 . 4.09 389 236 A 20 ARG H A 21 ALA HB% 1.0 . 5.03 390 237 A 23 VAL HGx% A 20 ARG H 1.0 . 5.50 391 238 A 20 ARG H A 23 VAL HGy% 1.0 . 5.50 392 239 A 20 ARG H A 23 VAL HGy% 1.0 . 4.84 393 239 A 23 VAL HGx% A 20 ARG H 1.0 . 4.84 394 240 A 57 TRP HD1 A 20 ARG H 1.0 . 4.82 395 241 A 57 TRP HE1 A 20 ARG H 1.0 . 4.48 396 242 A 57 TRP HZ2 A 20 ARG H 1.0 . 5.50 397 243 A 20 ARG HA A 20 ARG HDy 1.0 . 5.23 398 244 A 20 ARG HA A 20 ARG HDy 1.0 . 4.48 399 244 A 20 ARG HA A 20 ARG HDx 1.0 . 4.48 400 245 A 20 ARG HA A 22 ASN H 1.0 . 4.41 401 246 A 20 ARG HA A 23 VAL H 1.0 . 5.50 402 247 A 20 ARG HA A 23 VAL HGx% 1.0 . 5.50 403 248 A 20 ARG HA A 23 VAL HGy% 1.0 . 5.50 404 249 A 20 ARG HA A 23 VAL HGy% 1.0 . 4.19 405 249 A 20 ARG HA A 23 VAL HGx% 1.0 . 4.19 406 250 A 20 ARG HA A 40 ALA HB% 1.0 . 5.50 407 251 A 20 ARG HA A 57 TRP HE1 1.0 . 5.34 408 252 A 20 ARG HA A 57 TRP HH2 1.0 . 5.50 409 253 A 20 ARG HA A 57 TRP HZ2 1.0 . 4.98 410 254 A 20 ARG HBx A 21 ALA H 1.0 . 4.94 411 255 A 20 ARG HBx A 23 VAL HGy% 1.0 . 5.40 412 255 A 20 ARG HBx A 23 VAL HGx% 1.0 . 5.40 413 256 A 57 TRP HD1 A 20 ARG HBx 1.0 . 5.30 414 257 A 57 TRP HE1 A 20 ARG HBx 1.0 . 5.28 415 258 A 57 TRP HE3 A 20 ARG HDy 1.0 . 5.34 416 258 A 57 TRP HE3 A 20 ARG HDx 1.0 . 5.34 417 259 B 204 ILE HD1% A 20 ARG HGy 1.0 . 4.70 418 259 B 204 ILE HD1% A 20 ARG HGx 1.0 . 4.70 419 260 A 21 ALA H A 20 ARG HGx 1.0 . 5.34 420 260 A 21 ALA H A 20 ARG HGy 1.0 . 5.34 421 261 A 21 ALA H A 21 ALA HB% 1.0 . 3.46 422 262 A 22 ASN H A 21 ALA H 1.0 . 3.94 423 263 A 23 VAL H A 21 ALA H 1.0 . 5.40 424 264 A 21 ALA H A 23 VAL HGy% 1.0 . 5.44 425 264 A 23 VAL HGx% A 21 ALA H 1.0 . 5.44 426 265 A 21 ALA HA A 23 VAL H 1.0 . 4.87 427 266 A 22 ASN H A 21 ALA HB% 1.0 . 3.93 428 267 A 22 ASN HA A 21 ALA HB% 1.0 . 5.50 429 268 A 22 ASN HBx A 21 ALA HB% 1.0 . 5.50 430 269 A 23 VAL H A 21 ALA HB% 1.0 . 5.02 431 270 A 22 ASN HBx A 22 ASN H 1.0 . 3.66 432 271 A 22 ASN H A 23 VAL H 1.0 . 3.59 433 272 A 22 ASN H A 23 VAL HGx% 1.0 . 5.00 434 273 A 22 ASN H A 23 VAL HGy% 1.0 . 5.00 435 274 A 22 ASN H A 23 VAL HGy% 1.0 . 3.92 436 274 A 22 ASN H A 23 VAL HGx% 1.0 . 3.92 437 275 A 22 ASN H A 43 LYS HD2 1.0 . 5.50 438 275 A 22 ASN H A 43 LYS HD3 1.0 . 5.50 439 276 A 22 ASN HA A 22 ASN HD2x 1.0 . 5.30 440 277 A 22 ASN HA A 42 LEU HDy% 1.0 . 5.04 441 277 A 22 ASN HA A 42 LEU HDx% 1.0 . 5.04 442 278 A 43 LYS HBy A 22 ASN HA 1.0 . 5.31 443 279 A 43 LYS HEy A 22 ASN HA 1.0 . 5.50 444 280 A 22 ASN HA A 43 LYS HGy 1.0 . 5.50 445 281 A 22 ASN HA A 43 LYS HD2 1.0 . 4.67 446 281 A 22 ASN HA A 43 LYS HD3 1.0 . 4.67 447 282 A 22 ASN HBx A 23 VAL H 1.0 . 5.00 448 283 A 22 ASN HBx A 42 LEU HDx% 1.0 . 5.50 449 284 A 22 ASN HBx A 42 LEU HDy% 1.0 . 5.50 450 285 A 22 ASN HBx A 42 LEU HDy% 1.0 . 4.48 451 285 A 22 ASN HBx A 42 LEU HDx% 1.0 . 4.48 452 286 A 22 ASN HBx A 43 LYS H 1.0 . 5.50 453 287 A 22 ASN HD2x A 42 LEU HDx% 1.0 . 4.88 454 288 A 22 ASN HD2x A 42 LEU HDy% 1.0 . 4.88 455 289 A 22 ASN HD2x A 42 LEU HDy% 1.0 . 4.22 456 289 A 22 ASN HD2x A 42 LEU HDx% 1.0 . 4.22 457 290 A 22 ASN HD2y A 42 LEU HDx% 1.0 . 4.82 458 291 A 22 ASN HD2y A 42 LEU HDy% 1.0 . 4.82 459 292 A 23 VAL HB A 23 VAL H 1.0 . 3.78 460 293 A 23 VAL H A 23 VAL HGx% 1.0 . 4.87 461 294 A 23 VAL H A 23 VAL HGy% 1.0 . 4.87 462 295 A 23 VAL H A 23 VAL HGy% 1.0 . 3.48 463 295 A 23 VAL H A 23 VAL HGx% 1.0 . 3.48 464 296 A 23 VAL H A 24 LYS H 1.0 . 5.20 465 297 A 23 VAL H A 40 ALA HB% 1.0 . 5.50 466 298 A 43 LYS HEy A 23 VAL H 1.0 . 5.50 467 299 A 23 VAL H A 43 LYS HD2 1.0 . 5.41 468 299 A 23 VAL H A 43 LYS HD3 1.0 . 5.41 469 300 A 23 VAL HA A 40 ALA HB% 1.0 . 5.13 470 301 A 23 VAL HA A 41 ARG H 1.0 . 5.36 471 302 A 42 LEU HA A 23 VAL HA 1.0 . 5.50 472 303 A 23 VAL HA A 43 LYS H 1.0 . 4.23 473 304 A 43 LYS HA A 23 VAL HA 1.0 . 5.50 474 305 A 43 LYS HBy A 23 VAL HA 1.0 . 5.50 475 306 A 43 LYS HEy A 23 VAL HA 1.0 . 5.38 476 307 A 23 VAL HA A 43 LYS HGy 1.0 . 5.50 477 308 A 23 VAL HA A 43 LYS HD2 1.0 . 5.50 478 308 A 23 VAL HA A 43 LYS HD3 1.0 . 5.50 479 309 A 23 VAL HB A 24 LYS H 1.0 . 4.51 480 310 A 23 VAL HB A 40 ALA HB% 1.0 . 4.61 481 311 A 23 VAL HB A 41 ARG H 1.0 . 5.39 482 312 A 23 VAL HGx% A 24 LYS H 1.0 . 4.95 483 313 A 23 VAL HGx% A 25 HIS H 1.0 . 4.84 484 314 A 40 ALA HA A 23 VAL HGx% 1.0 . 5.50 485 315 A 23 VAL HGx% A 40 ALA HB% 1.0 . 3.06 486 316 A 23 VAL HGx% A 41 ARG H 1.0 . 4.70 487 317 A 42 LEU HA A 23 VAL HGx% 1.0 . 5.50 488 318 A 57 TRP HH2 A 23 VAL HGx% 1.0 . 5.25 489 319 A 57 TRP HZ2 A 23 VAL HGx% 1.0 . 5.50 490 320 A 24 LYS H A 23 VAL HGy% 1.0 . 4.95 491 321 A 25 HIS H A 23 VAL HGy% 1.0 . 4.84 492 322 A 40 ALA HA A 23 VAL HGy% 1.0 . 5.50 493 323 A 40 ALA HB% A 23 VAL HGy% 1.0 . 3.06 494 324 A 41 ARG H A 23 VAL HGy% 1.0 . 4.70 495 325 A 42 LEU HA A 23 VAL HGy% 1.0 . 5.50 496 326 A 57 TRP HH2 A 23 VAL HGy% 1.0 . 5.25 497 327 A 57 TRP HZ2 A 23 VAL HGy% 1.0 . 5.50 498 328 A 24 LYS H A 23 VAL HGy% 1.0 . 3.86 499 328 A 23 VAL HGx% A 24 LYS H 1.0 . 3.86 500 329 A 25 HIS H A 23 VAL HGy% 1.0 . 4.17 501 329 A 23 VAL HGx% A 25 HIS H 1.0 . 4.17 502 330 A 26 LEU HG A 23 VAL HGy% 1.0 . 4.19 503 330 A 26 LEU HG A 23 VAL HGx% 1.0 . 4.19 504 331 A 26 LEU HDx% A 23 VAL HGy% 1.0 . 4.07 505 331 A 23 VAL HGx% A 26 LEU HDx% 1.0 . 4.07 506 332 A 40 ALA HA A 23 VAL HGy% 1.0 . 4.59 507 332 A 40 ALA HA A 23 VAL HGx% 1.0 . 4.59 508 333 A 41 ARG H A 23 VAL HGy% 1.0 . 4.02 509 333 A 23 VAL HGx% A 41 ARG H 1.0 . 4.02 510 334 A 42 LEU HA A 23 VAL HGy% 1.0 . 4.31 511 334 A 42 LEU HA A 23 VAL HGx% 1.0 . 4.31 512 335 A 51 ILE HG1x A 23 VAL HGy% 1.0 . 3.71 513 335 A 51 ILE HG1x A 23 VAL HGx% 1.0 . 3.71 514 336 A 57 TRP HH2 A 23 VAL HGy% 1.0 . 4.33 515 336 A 57 TRP HH2 A 23 VAL HGx% 1.0 . 4.33 516 337 A 57 TRP HZ2 A 23 VAL HGy% 1.0 . 4.50 517 337 A 57 TRP HZ2 A 23 VAL HGx% 1.0 . 4.50 518 338 A 57 TRP HZ3 A 23 VAL HGy% 1.0 . 5.39 519 338 A 57 TRP HZ3 A 23 VAL HGx% 1.0 . 5.39 520 339 A 24 LYS H A 24 LYS HB2 1.0 . 4.19 521 339 A 24 LYS H A 24 LYS HB3 1.0 . 4.19 522 340 A 24 LYS H A 24 LYS HD2 1.0 . 5.50 523 340 A 24 LYS H A 24 LYS HD3 1.0 . 5.50 524 341 A 24 LYS H A 24 LYS HE2 1.0 . 5.50 525 341 A 24 LYS H A 24 LYS HE3 1.0 . 5.50 526 342 A 24 LYS H A 24 LYS HGy 1.0 . 4.36 527 342 A 24 LYS H A 24 LYS HGx 1.0 . 4.36 528 343 A 24 LYS H A 25 HIS H 1.0 . 4.27 529 344 A 40 ALA HB% A 24 LYS H 1.0 . 4.86 530 345 A 24 LYS H A 41 ARG H 1.0 . 4.67 531 346 A 42 LEU HA A 24 LYS H 1.0 . 4.77 532 347 A 43 LYS H A 24 LYS H 1.0 . 4.67 533 348 A 43 LYS HA A 24 LYS H 1.0 . 5.50 534 349 A 43 LYS HBy A 24 LYS H 1.0 . 5.08 535 350 A 43 LYS HEy A 24 LYS H 1.0 . 5.50 536 351 A 24 LYS H A 43 LYS HGy 1.0 . 5.50 537 352 A 24 LYS HA A 24 LYS HD2 1.0 . 3.83 538 352 A 24 LYS HA A 24 LYS HD3 1.0 . 3.83 539 353 A 24 LYS HE2 A 24 LYS HGy 1.0 . 4.06 540 353 A 24 LYS HE3 A 24 LYS HGy 1.0 . 4.06 541 354 A 43 LYS HA A 24 LYS HGy 1.0 . 5.50 542 355 A 24 LYS HB3 A 24 LYS HD2 1.0 . 2.94 543 355 A 24 LYS HB2 A 24 LYS HD2 1.0 . 2.94 544 355 A 24 LYS HD3 A 24 LYS HB2 1.0 . 2.94 545 355 A 24 LYS HB3 A 24 LYS HD3 1.0 . 2.94 546 356 A 24 LYS HB2 A 24 LYS HE2 1.0 . 4.07 547 356 A 24 LYS HB3 A 24 LYS HE2 1.0 . 4.07 548 356 A 24 LYS HE3 A 24 LYS HB2 1.0 . 4.07 549 356 A 24 LYS HB3 A 24 LYS HE3 1.0 . 4.07 550 357 A 25 HIS H A 24 LYS HB2 1.0 . 4.26 551 357 A 25 HIS H A 24 LYS HB3 1.0 . 4.26 552 358 A 43 LYS HA A 24 LYS HB2 1.0 . 5.00 553 358 A 43 LYS HA A 24 LYS HB3 1.0 . 5.00 554 359 A 24 LYS HB3 A 43 LYS HD2 1.0 . 5.02 555 359 A 24 LYS HB2 A 43 LYS HD2 1.0 . 5.02 556 359 A 43 LYS HD3 A 24 LYS HB2 1.0 . 5.02 557 359 A 43 LYS HD3 A 24 LYS HB3 1.0 . 5.02 558 360 A 24 LYS HB2 A 43 LYS HGy 1.0 . 4.53 559 360 A 24 LYS HB3 A 43 LYS HGy 1.0 . 4.53 560 360 A 43 LYS HGx A 24 LYS HB2 1.0 . 4.53 561 360 A 24 LYS HB3 A 43 LYS HGx 1.0 . 4.53 562 361 A 25 HIS H A 24 LYS HD2 1.0 . 5.50 563 361 A 25 HIS H A 24 LYS HD3 1.0 . 5.50 564 362 A 25 HIS HD2 A 24 LYS HD2 1.0 . 5.50 565 362 A 25 HIS HD2 A 24 LYS HD3 1.0 . 5.50 566 363 A 43 LYS H A 24 LYS HD2 1.0 . 4.69 567 363 A 43 LYS H A 24 LYS HD3 1.0 . 4.69 568 364 A 43 LYS HA A 24 LYS HD2 1.0 . 4.29 569 364 A 43 LYS HA A 24 LYS HD3 1.0 . 4.29 570 365 A 25 HIS HD2 A 24 LYS HE2 1.0 . 4.99 571 365 A 25 HIS HD2 A 24 LYS HE3 1.0 . 4.99 572 366 A 41 ARG H A 24 LYS HE2 1.0 . 5.50 573 366 A 41 ARG H A 24 LYS HE3 1.0 . 5.50 574 367 A 43 LYS H A 24 LYS HE2 1.0 . 5.50 575 367 A 43 LYS H A 24 LYS HE3 1.0 . 5.50 576 368 A 43 LYS HA A 24 LYS HE2 1.0 . 4.63 577 368 A 43 LYS HA A 24 LYS HE3 1.0 . 4.63 578 369 A 24 LYS HE2 A 24 LYS HGy 1.0 . 3.55 579 369 A 24 LYS HE3 A 24 LYS HGy 1.0 . 3.55 580 369 A 24 LYS HGx A 24 LYS HE2 1.0 . 3.55 581 369 A 24 LYS HE3 A 24 LYS HGx 1.0 . 3.55 582 370 A 25 HIS H A 24 LYS HGy 1.0 . 5.33 583 370 A 25 HIS H A 24 LYS HGx 1.0 . 5.33 584 371 A 25 HIS HD2 A 25 HIS H 1.0 . 5.50 585 372 A 25 HIS H A 26 LEU H 1.0 . 4.73 586 373 A 41 ARG H A 25 HIS H 1.0 . 4.58 587 374 A 41 ARG HBy A 25 HIS H 1.0 . 5.15 588 375 A 41 ARG HGy A 25 HIS H 1.0 . 5.50 589 376 A 25 HIS HBy A 26 LEU H 1.0 . 4.52 590 377 A 25 HIS HBy A 41 ARG H 1.0 . 5.50 591 378 A 41 ARG HGy A 25 HIS HBy 1.0 . 5.24 592 379 A 27 LYS HGy A 25 HIS HD2 1.0 . 5.50 593 380 A 25 HIS HD2 A 41 ARG HD2 1.0 . 5.50 594 380 A 25 HIS HD2 A 41 ARG HD3 1.0 . 5.50 595 381 A 25 HIS HE1 B 206 ILE HB 1.0 . 4.73 596 382 A 27 LYS HGy A 25 HIS HE1 1.0 . 5.23 597 383 A 25 HIS HE1 A 27 LYS HBx 1.0 . 5.34 598 383 A 25 HIS HE1 A 27 LYS HBy 1.0 . 5.34 599 384 A 25 HIS HE1 A 27 LYS HD2 1.0 . 4.45 600 384 A 25 HIS HE1 A 27 LYS HD3 1.0 . 4.45 601 385 A 26 LEU HG A 26 LEU H 1.0 . 5.50 602 386 A 26 LEU H A 26 LEU HB2 1.0 . 4.01 603 386 A 26 LEU H A 26 LEU HB3 1.0 . 4.01 604 387 A 26 LEU HDx% A 26 LEU H 1.0 . 5.29 605 388 A 26 LEU H A 26 LEU HDy% 1.0 . 5.20 606 389 A 26 LEU H A 27 LYS H 1.0 . 5.22 607 390 A 26 LEU HA A 26 LEU HDx% 1.0 . 4.59 608 391 A 26 LEU HA A 26 LEU HDy% 1.0 . 5.04 609 392 A 26 LEU HA A 27 LYS H 1.0 . 3.57 610 393 A 26 LEU HA A 40 ALA HA 1.0 . 4.61 611 394 A 26 LEU HA A 40 ALA HB% 1.0 . 4.51 612 395 A 26 LEU HA A 41 ARG H 1.0 . 4.87 613 396 A 26 LEU HG B 206 ILE HD1% 1.0 . 4.22 614 397 A 26 LEU HG A 27 LYS H 1.0 . 3.76 615 398 A 26 LEU HG A 39 VAL H 1.0 . 5.09 616 399 A 26 LEU HG A 40 ALA HA 1.0 . 4.20 617 400 A 26 LEU HG A 40 ALA HB% 1.0 . 2.98 618 401 A 26 LEU HG A 61 TYR HD% 1.0 . 5.50 619 402 B 206 ILE HD1% A 26 LEU HB2 1.0 . 4.58 620 402 B 206 ILE HD1% A 26 LEU HB3 1.0 . 4.58 621 403 A 26 LEU HG A 26 LEU HB2 1.0 . 2.89 622 403 A 26 LEU HG A 26 LEU HB3 1.0 . 2.89 623 404 A 26 LEU HDx% A 26 LEU HB2 1.0 . 3.65 624 404 A 26 LEU HDx% A 26 LEU HB3 1.0 . 3.65 625 405 A 26 LEU HDy% A 26 LEU HB2 1.0 . 3.67 626 405 A 26 LEU HB3 A 26 LEU HDy% 1.0 . 3.67 627 406 A 27 LYS H A 26 LEU HB2 1.0 . 5.30 628 406 A 26 LEU HB3 A 27 LYS H 1.0 . 5.30 629 407 A 61 TYR HD% A 26 LEU HB2 1.0 . 5.04 630 407 A 26 LEU HB3 A 61 TYR HD% 1.0 . 5.04 631 408 A 61 TYR HE% A 26 LEU HB2 1.0 . 4.59 632 408 A 26 LEU HB3 A 61 TYR HE% 1.0 . 4.59 633 409 B 206 ILE HD1% A 26 LEU HDx% 1.0 . 3.36 634 410 A 26 LEU HDx% B 206 ILE HG2% 1.0 . 3.41 635 411 A 26 LEU HDx% A 27 LYS H 1.0 . 4.67 636 412 A 40 ALA HA A 26 LEU HDx% 1.0 . 5.06 637 413 A 40 ALA HB% A 26 LEU HDx% 1.0 . 3.94 638 414 A 41 ARG H A 26 LEU HDx% 1.0 . 5.50 639 415 A 51 ILE HG1x A 26 LEU HDx% 1.0 . 5.50 640 416 A 51 ILE HD1% A 26 LEU HDx% 1.0 . 3.61 641 417 A 57 TRP HE3 A 26 LEU HDx% 1.0 . 5.47 642 418 A 57 TRP HH2 A 26 LEU HDx% 1.0 . 4.53 643 419 A 57 TRP HZ2 A 26 LEU HDx% 1.0 . 5.14 644 420 A 57 TRP HZ3 A 26 LEU HDx% 1.0 . 4.91 645 421 A 58 CYS HA A 26 LEU HDx% 1.0 . 5.50 646 422 A 26 LEU HDx% A 61 TYR HD% 1.0 . 4.79 647 423 A 26 LEU HDx% A 61 TYR HE% 1.0 . 4.91 648 424 A 26 LEU HDy% B 204 ILE HG2% 1.0 . 4.07 649 425 B 206 ILE HD1% A 26 LEU HDy% 1.0 . 3.54 650 426 A 26 LEU HDy% A 27 LYS H 1.0 . 4.97 651 427 A 26 LEU HDy% A 38 ILE HG2% 1.0 . 3.83 652 428 A 26 LEU HDy% A 40 ALA H 1.0 . 5.50 653 429 A 40 ALA HA A 26 LEU HDy% 1.0 . 5.50 654 430 A 41 ARG H A 26 LEU HDy% 1.0 . 5.50 655 431 A 51 ILE HD1% A 26 LEU HDy% 1.0 . 4.21 656 432 A 57 TRP HE3 A 26 LEU HDy% 1.0 . 5.38 657 433 A 57 TRP HH2 A 26 LEU HDy% 1.0 . 4.67 658 434 A 57 TRP HZ2 A 26 LEU HDy% 1.0 . 5.50 659 435 A 57 TRP HZ3 A 26 LEU HDy% 1.0 . 4.85 660 436 A 58 CYS HA A 26 LEU HDy% 1.0 . 5.50 661 437 A 58 CYS HBy A 26 LEU HDy% 1.0 . 5.50 662 438 A 61 TYR HBy A 26 LEU HDy% 1.0 . 5.50 663 439 A 26 LEU HDy% A 61 TYR HD% 1.0 . 4.69 664 440 A 26 LEU HDy% A 61 TYR HE% 1.0 . 4.74 665 441 A 27 LYS HGy A 27 LYS H 1.0 . 5.50 666 442 A 27 LYS H A 27 LYS HD2 1.0 . 5.50 667 442 A 27 LYS HD3 A 27 LYS H 1.0 . 5.50 668 443 A 27 LYS H A 28 ILE H 1.0 . 4.74 669 444 A 27 LYS H A 38 ILE HG2% 1.0 . 4.46 670 445 A 39 VAL HB A 27 LYS H 1.0 . 4.94 671 446 A 27 LYS H A 39 VAL HG1% 1.0 . 4.67 672 446 A 27 LYS H A 39 VAL HG2% 1.0 . 4.67 673 447 A 40 ALA HA A 27 LYS H 1.0 . 4.76 674 448 A 40 ALA HB% A 27 LYS H 1.0 . 4.68 675 449 A 27 LYS HA B 207 TYR HE% 1.0 . 4.15 676 450 A 27 LYS HA A 27 LYS HD2 1.0 . 5.09 677 450 A 27 LYS HA A 27 LYS HD3 1.0 . 5.09 678 451 A 27 LYS HA A 27 LYS HE2 1.0 . 4.87 679 451 A 27 LYS HA A 27 LYS HE3 1.0 . 4.87 680 452 A 27 LYS HD3 A 27 LYS HBx 1.0 . 3.47 681 452 A 27 LYS HBx A 27 LYS HD2 1.0 . 3.47 682 453 A 27 LYS HE3 A 27 LYS HBx 1.0 . 4.55 683 453 A 27 LYS HBx A 27 LYS HE2 1.0 . 4.55 684 454 A 28 ILE H A 27 LYS HBx 1.0 . 5.12 685 455 A 39 VAL HB A 27 LYS HBx 1.0 . 4.82 686 456 A 39 VAL HG2% A 27 LYS HBx 1.0 . 4.87 687 456 A 27 LYS HBx A 39 VAL HG1% 1.0 . 4.87 688 457 A 27 LYS HGy B 207 TYR HD% 1.0 . 4.83 689 458 A 27 LYS HGy B 207 TYR HE% 1.0 . 4.71 690 459 A 27 LYS HGy B 212 TYR HD% 1.0 . 4.83 691 460 A 27 LYS HGy A 27 LYS HE2 1.0 . 4.14 692 460 A 27 LYS HGy A 27 LYS HE3 1.0 . 4.14 693 461 A 27 LYS HGy A 28 ILE H 1.0 . 4.92 694 462 A 27 LYS HGy A 39 VAL HB 1.0 . 4.95 695 463 A 27 LYS HGy A 39 VAL HG1% 1.0 . 4.13 696 463 A 27 LYS HGy A 39 VAL HG2% 1.0 . 4.13 697 464 B 207 TYR HD% A 27 LYS HBx 1.0 . 4.49 698 464 A 27 LYS HBy B 207 TYR HD% 1.0 . 4.49 699 465 B 207 TYR HE% A 27 LYS HBx 1.0 . 4.49 700 465 A 27 LYS HBy B 207 TYR HE% 1.0 . 4.49 701 466 A 27 LYS HBx A 27 LYS HD2 1.0 . 2.82 702 466 A 27 LYS HBy A 27 LYS HD2 1.0 . 2.82 703 466 A 27 LYS HD3 A 27 LYS HBx 1.0 . 2.82 704 466 A 27 LYS HBy A 27 LYS HD3 1.0 . 2.82 705 467 A 27 LYS HBx A 27 LYS HE2 1.0 . 3.94 706 467 A 27 LYS HE3 A 27 LYS HBx 1.0 . 3.94 707 467 A 27 LYS HBy A 27 LYS HE3 1.0 . 3.94 708 467 A 27 LYS HBy A 27 LYS HE2 1.0 . 3.94 709 468 A 39 VAL H A 27 LYS HBx 1.0 . 4.55 710 468 A 27 LYS HBy A 39 VAL H 1.0 . 4.55 711 469 B 207 TYR HD% A 27 LYS HD2 1.0 . 4.74 712 469 A 27 LYS HD3 B 207 TYR HD% 1.0 . 4.74 713 470 B 207 TYR HE% A 27 LYS HD2 1.0 . 4.37 714 470 A 27 LYS HD3 B 207 TYR HE% 1.0 . 4.37 715 471 A 28 ILE H A 27 LYS HD2 1.0 . 5.50 716 471 A 27 LYS HD3 A 28 ILE H 1.0 . 5.50 717 472 A 27 LYS HD3 A 39 VAL HG1% 1.0 . 4.36 718 472 A 27 LYS HD2 A 39 VAL HG1% 1.0 . 4.36 719 472 A 39 VAL HG2% A 27 LYS HD2 1.0 . 4.36 720 472 A 27 LYS HD3 A 39 VAL HG2% 1.0 . 4.36 721 473 B 207 TYR HE% A 27 LYS HE2 1.0 . 4.21 722 473 B 207 TYR HE% A 27 LYS HE3 1.0 . 4.21 723 474 A 39 VAL HB A 27 LYS HE2 1.0 . 4.97 724 474 A 39 VAL HB A 27 LYS HE3 1.0 . 4.97 725 475 A 27 LYS HE3 A 39 VAL HG1% 1.0 . 4.24 726 475 A 27 LYS HE2 A 39 VAL HG1% 1.0 . 4.24 727 475 A 39 VAL HG2% A 27 LYS HE2 1.0 . 4.24 728 475 A 39 VAL HG2% A 27 LYS HE3 1.0 . 4.24 729 476 A 41 ARG HBy A 27 LYS HE2 1.0 . 5.50 730 476 A 41 ARG HBy A 27 LYS HE3 1.0 . 5.50 731 477 A 41 ARG HGy A 27 LYS HE2 1.0 . 5.50 732 477 A 41 ARG HGy A 27 LYS HE3 1.0 . 5.50 733 478 A 27 LYS HE3 A 41 ARG HD2 1.0 . 4.79 734 478 A 27 LYS HE2 A 41 ARG HD2 1.0 . 4.79 735 478 A 41 ARG HD3 A 27 LYS HE2 1.0 . 4.79 736 478 A 41 ARG HD3 A 27 LYS HE3 1.0 . 4.79 737 479 A 28 ILE HB A 28 ILE H 1.0 . 3.62 738 480 A 28 ILE HD1% A 28 ILE H 1.0 . 4.97 739 481 A 28 ILE H A 28 ILE HG1y 1.0 . 3.85 740 481 A 28 ILE H A 28 ILE HG1x 1.0 . 3.85 741 482 A 28 ILE H A 28 ILE HG2% 1.0 . 4.17 742 483 A 28 ILE H A 29 LEU H 1.0 . 5.20 743 484 A 28 ILE HD1% A 28 ILE HA 1.0 . 4.52 744 485 A 28 ILE HA A 28 ILE HG2% 1.0 . 3.97 745 486 A 28 ILE HB A 28 ILE HD1% 1.0 . 3.79 746 487 A 28 ILE HB A 29 LEU H 1.0 . 4.69 747 488 A 28 ILE HD1% A 29 LEU H 1.0 . 5.18 748 489 A 28 ILE HD1% A 61 TYR HD% 1.0 . 5.37 749 490 A 28 ILE HD1% A 61 TYR HE% 1.0 . 3.92 750 491 A 28 ILE HD1% A 62 LEU HA 1.0 . 4.74 751 492 A 28 ILE HD1% A 65 ALA H 1.0 . 5.21 752 493 A 28 ILE HD1% A 65 ALA HA 1.0 . 5.50 753 494 A 28 ILE HD1% A 65 ALA HB% 1.0 . 4.00 754 495 A 28 ILE HD1% A 66 LEU HA 1.0 . 5.50 755 496 A 61 TYR HD% A 28 ILE HG1y 1.0 . 4.80 756 496 A 61 TYR HD% A 28 ILE HG1x 1.0 . 4.80 757 497 A 61 TYR HE% A 28 ILE HG1y 1.0 . 4.17 758 497 A 61 TYR HE% A 28 ILE HG1x 1.0 . 4.17 759 498 A 28 ILE HG2% B 208 THR H 1.0 . 5.50 760 499 A 28 ILE HG2% B 208 THR HG2% 1.0 . 5.01 761 500 A 28 ILE HD1% A 28 ILE HG2% 1.0 . 2.40 762 501 A 28 ILE HG2% A 28 ILE HG1y 1.0 . 3.28 763 501 A 28 ILE HG1x A 28 ILE HG2% 1.0 . 3.28 764 502 A 28 ILE HG2% A 29 LEU H 1.0 . 4.19 765 503 A 30 ASN HA A 28 ILE HG2% 1.0 . 5.50 766 504 A 30 ASN HBx A 28 ILE HG2% 1.0 . 5.00 767 505 A 30 ASN HD2x A 28 ILE HG2% 1.0 . 5.50 768 506 A 61 TYR HD% A 28 ILE HG2% 1.0 . 5.50 769 507 A 61 TYR HE% A 28 ILE HG2% 1.0 . 5.50 770 508 A 28 ILE HG2% A 65 ALA HB% 1.0 . 3.68 771 509 A 29 LEU HG A 29 LEU H 1.0 . 4.89 772 510 A 29 LEU H A 29 LEU HD1% 1.0 . 3.79 773 510 A 29 LEU HD2% A 29 LEU H 1.0 . 3.79 774 511 A 29 LEU H A 30 ASN H 1.0 . 5.50 775 512 A 36 LEU HA A 29 LEU H 1.0 . 5.50 776 513 A 29 LEU H A 36 LEU HDx% 1.0 . 5.50 777 514 A 29 LEU H A 36 LEU HDy% 1.0 . 5.50 778 515 A 29 LEU H A 36 LEU HDy% 1.0 . 4.66 779 515 A 29 LEU H A 36 LEU HDx% 1.0 . 4.66 780 516 A 29 LEU H A 37 GLN H 1.0 . 4.82 781 517 A 37 GLN HBx A 29 LEU H 1.0 . 5.25 782 518 A 38 ILE HA A 29 LEU H 1.0 . 3.72 783 519 A 29 LEU H A 62 LEU HDy% 1.0 . 5.50 784 520 A 29 LEU HA A 29 LEU HD1% 1.0 . 4.15 785 520 A 29 LEU HA A 29 LEU HD2% 1.0 . 4.15 786 521 A 29 LEU HG A 29 LEU HBy 1.0 . 2.87 787 522 A 29 LEU HBy A 29 LEU HD1% 1.0 . 3.76 788 522 A 29 LEU HBy A 29 LEU HD2% 1.0 . 3.76 789 523 A 29 LEU HBy A 30 ASN H 1.0 . 5.02 790 524 A 29 LEU HBy A 31 THR HG2% 1.0 . 4.81 791 525 A 29 LEU HBy A 37 GLN H 1.0 . 5.50 792 526 A 29 LEU HBy A 37 GLN HBx 1.0 . 5.15 793 527 A 29 LEU HBy A 37 GLN HGy 1.0 . 5.50 794 528 A 29 LEU HBy A 39 VAL H 1.0 . 5.13 795 529 A 29 LEU HBy A 39 VAL HG1% 1.0 . 4.09 796 529 A 29 LEU HBy A 39 VAL HG2% 1.0 . 4.09 797 530 A 29 LEU HG A 37 GLN HBx 1.0 . 5.12 798 531 B 212 TYR HD% A 29 LEU HD1% 1.0 . 4.20 799 531 B 212 TYR HD% A 29 LEU HD2% 1.0 . 4.20 800 532 B 212 TYR HE% A 29 LEU HD1% 1.0 . 4.27 801 532 B 212 TYR HE% A 29 LEU HD2% 1.0 . 4.27 802 533 A 29 LEU HD1% B 215 GLU HB2 1.0 . 4.99 803 533 A 29 LEU HD2% B 215 GLU HB2 1.0 . 4.99 804 533 B 215 GLU HB3 A 29 LEU HD1% 1.0 . 4.99 805 533 A 29 LEU HD2% B 215 GLU HB3 1.0 . 4.99 806 534 A 31 THR HB A 29 LEU HD1% 1.0 . 5.50 807 534 A 31 THR HB A 29 LEU HD2% 1.0 . 5.50 808 535 A 31 THR HG2% A 29 LEU HD1% 1.0 . 5.10 809 535 A 31 THR HG2% A 29 LEU HD2% 1.0 . 5.10 810 536 A 37 GLN H A 29 LEU HD1% 1.0 . 5.50 811 536 A 29 LEU HD2% A 37 GLN H 1.0 . 5.50 812 537 A 37 GLN HE2x A 29 LEU HD1% 1.0 . 5.50 813 537 A 37 GLN HE2x A 29 LEU HD2% 1.0 . 5.50 814 538 A 37 GLN HE2y A 29 LEU HD1% 1.0 . 5.50 815 538 A 37 GLN HE2y A 29 LEU HD2% 1.0 . 5.50 816 539 A 29 LEU HD2% A 37 GLN HGy 1.0 . 5.34 817 539 A 29 LEU HD1% A 37 GLN HGy 1.0 . 5.34 818 539 A 37 GLN HGx A 29 LEU HD1% 1.0 . 5.34 819 539 A 29 LEU HD2% A 37 GLN HGx 1.0 . 5.34 820 540 A 39 VAL HB A 29 LEU HD1% 1.0 . 4.84 821 540 A 39 VAL HB A 29 LEU HD2% 1.0 . 4.84 822 541 A 30 ASN H A 31 THR H 1.0 . 5.50 823 542 A 30 ASN H A 36 LEU HDy% 1.0 . 4.87 824 542 A 30 ASN H A 36 LEU HDx% 1.0 . 4.87 825 543 A 30 ASN HA A 30 ASN HD2x 1.0 . 5.50 826 544 A 30 ASN HA A 31 THR H 1.0 . 3.49 827 545 A 30 ASN HA A 31 THR HG2% 1.0 . 5.50 828 546 A 30 ASN HA A 36 LEU H 1.0 . 5.50 829 547 A 36 LEU HA A 30 ASN HA 1.0 . 5.50 830 548 A 30 ASN HA A 36 LEU HDx% 1.0 . 5.16 831 549 A 30 ASN HA A 36 LEU HDy% 1.0 . 5.16 832 550 A 30 ASN HA A 36 LEU HDy% 1.0 . 4.38 833 550 A 30 ASN HA A 36 LEU HDx% 1.0 . 4.38 834 551 A 30 ASN HA A 37 GLN H 1.0 . 5.26 835 552 A 30 ASN HBx A 31 THR H 1.0 . 4.89 836 553 A 30 ASN HBx A 36 LEU HDx% 1.0 . 4.99 837 554 A 30 ASN HBx A 36 LEU HDy% 1.0 . 4.99 838 555 A 30 ASN HBx A 36 LEU HDy% 1.0 . 4.18 839 555 A 30 ASN HBx A 36 LEU HDx% 1.0 . 4.18 840 556 A 30 ASN HD2x A 36 LEU HDx% 1.0 . 5.50 841 557 A 30 ASN HD2x A 36 LEU HDy% 1.0 . 5.50 842 558 A 30 ASN HD2x A 36 LEU HDy% 1.0 . 4.30 843 558 A 30 ASN HD2x A 36 LEU HDx% 1.0 . 4.30 844 559 A 30 ASN HD2x A 65 ALA HB% 1.0 . 5.50 845 560 A 30 ASN HD2y A 36 LEU HDy% 1.0 . 4.64 846 560 A 30 ASN HD2y A 36 LEU HDx% 1.0 . 4.64 847 561 A 31 THR HG2% A 31 THR H 1.0 . 4.44 848 562 A 31 THR H A 32 PRO HDy 1.0 . 5.35 849 562 A 31 THR H A 32 PRO HDx 1.0 . 5.35 850 563 A 31 THR H A 34 CYS H 1.0 . 5.36 851 564 A 35 ALA HA A 31 THR H 1.0 . 5.45 852 565 A 31 THR H A 36 LEU HDy% 1.0 . 4.89 853 565 A 36 LEU HDx% A 31 THR H 1.0 . 4.89 854 566 A 31 THR HA A 31 THR HG2% 1.0 . 3.88 855 567 A 31 THR HA A 32 PRO HDx 1.0 . 4.03 856 568 A 31 THR HA A 32 PRO HDy 1.0 . 3.51 857 568 A 31 THR HA A 32 PRO HDx 1.0 . 3.51 858 569 A 31 THR HB A 32 PRO HDx 1.0 . 4.58 859 570 A 31 THR HB A 32 PRO HDy 1.0 . 4.00 860 570 A 31 THR HB A 32 PRO HDx 1.0 . 4.00 861 571 A 31 THR HB A 34 CYS H 1.0 . 5.28 862 572 A 31 THR HB A 34 CYS HBy 1.0 . 5.50 863 573 A 31 THR HB A 34 CYS HBx 1.0 . 4.69 864 573 A 31 THR HB A 34 CYS HBy 1.0 . 4.69 865 574 A 31 THR HG2% A 32 PRO HDx 1.0 . 4.38 866 575 A 31 THR HG2% A 34 CYS H 1.0 . 5.21 867 576 A 31 THR HG2% A 34 CYS HBy 1.0 . 5.50 868 577 A 31 THR HG2% A 34 CYS HBx 1.0 . 4.66 869 577 A 31 THR HG2% A 34 CYS HBy 1.0 . 4.66 870 578 A 31 THR HG2% A 37 GLN H 1.0 . 5.50 871 579 A 37 GLN HE2x A 31 THR HG2% 1.0 . 5.34 872 579 A 37 GLN HE2y A 31 THR HG2% 1.0 . 5.34 873 580 A 32 PRO HA A 34 CYS H 1.0 . 4.67 874 581 A 32 PRO HBx A 33 ASN HD2x 1.0 . 5.50 875 582 A 32 PRO HBx A 33 ASN HD2y 1.0 . 5.50 876 583 A 32 PRO HDx A 33 ASN H 1.0 . 5.50 877 584 A 34 CYS H A 33 ASN H 1.0 . 3.86 878 585 A 33 ASN H A 34 CYS HBx 1.0 . 5.21 879 585 A 34 CYS HBy A 33 ASN H 1.0 . 5.21 880 586 A 33 ASN HD2x A 33 ASN HA 1.0 . 5.50 881 587 A 33 ASN HA A 33 ASN HD2y 1.0 . 5.50 882 588 A 33 ASN HD2x A 33 ASN HA 1.0 . 4.81 883 588 A 33 ASN HA A 33 ASN HD2y 1.0 . 4.81 884 589 A 34 CYS H A 33 ASN HB2 1.0 . 4.56 885 589 A 34 CYS H A 33 ASN HB3 1.0 . 4.56 886 590 A 33 ASN HD2x A 34 CYS H 1.0 . 5.34 887 590 A 33 ASN HD2y A 34 CYS H 1.0 . 5.34 888 591 A 34 CYS H A 34 CYS HBx 1.0 . 3.65 889 591 A 34 CYS HBy A 34 CYS H 1.0 . 3.65 890 592 A 34 CYS H A 35 ALA H 1.0 . 4.42 891 593 A 34 CYS HBy A 35 ALA H 1.0 . 4.65 892 594 A 37 GLN HE2x A 34 CYS HBy 1.0 . 5.50 893 595 A 37 GLN HE2y A 34 CYS HBy 1.0 . 5.50 894 596 A 35 ALA HB% A 35 ALA H 1.0 . 3.62 895 597 A 36 LEU H A 35 ALA H 1.0 . 5.01 896 598 A 35 ALA HA A 36 LEU H 1.0 . 3.38 897 599 A 35 ALA HB% A 36 LEU H 1.0 . 3.36 898 600 A 37 GLN HE2x A 35 ALA HB% 1.0 . 5.50 899 601 A 37 GLN HE2y A 35 ALA HB% 1.0 . 5.50 900 602 A 37 GLN HE2x A 35 ALA HB% 1.0 . 4.68 901 602 A 37 GLN HE2y A 35 ALA HB% 1.0 . 4.68 902 603 A 36 LEU HBy A 36 LEU H 1.0 . 3.60 903 604 A 36 LEU HG A 36 LEU H 1.0 . 4.80 904 605 A 36 LEU HDx% A 36 LEU H 1.0 . 4.54 905 606 A 36 LEU H A 36 LEU HDy% 1.0 . 4.54 906 607 A 36 LEU H A 36 LEU HDy% 1.0 . 3.82 907 607 A 36 LEU HDx% A 36 LEU H 1.0 . 3.82 908 608 A 37 GLN H A 36 LEU H 1.0 . 4.44 909 609 A 36 LEU HA A 36 LEU HDx% 1.0 . 4.15 910 610 A 36 LEU HA A 36 LEU HDy% 1.0 . 4.15 911 611 A 36 LEU HA A 36 LEU HDy% 1.0 . 3.58 912 611 A 36 LEU HA A 36 LEU HDx% 1.0 . 3.58 913 612 A 36 LEU HA A 37 GLN H 1.0 . 3.56 914 613 A 36 LEU HBy A 36 LEU HG 1.0 . 2.73 915 614 A 36 LEU HBy A 36 LEU HDx% 1.0 . 3.56 916 615 A 36 LEU HBy A 36 LEU HDy% 1.0 . 3.56 917 616 A 36 LEU HBy A 36 LEU HDy% 1.0 . 3.11 918 616 A 36 LEU HBy A 36 LEU HDx% 1.0 . 3.11 919 617 A 36 LEU HBy A 37 GLN H 1.0 . 5.32 920 618 A 36 LEU HG A 37 GLN H 1.0 . 5.13 921 619 A 36 LEU HDx% A 37 GLN H 1.0 . 4.77 922 620 A 61 TYR HE% A 36 LEU HDx% 1.0 . 5.50 923 621 A 62 LEU HA A 36 LEU HDx% 1.0 . 5.20 924 622 A 37 GLN H A 36 LEU HDy% 1.0 . 4.77 925 623 A 61 TYR HE% A 36 LEU HDy% 1.0 . 5.50 926 624 A 62 LEU HA A 36 LEU HDy% 1.0 . 5.20 927 625 A 37 GLN H A 36 LEU HDy% 1.0 . 3.88 928 625 A 36 LEU HDx% A 37 GLN H 1.0 . 3.88 929 626 A 62 LEU HA A 36 LEU HDy% 1.0 . 4.37 930 626 A 62 LEU HA A 36 LEU HDx% 1.0 . 4.37 931 627 A 37 GLN H A 37 GLN HGy 1.0 . 4.70 932 628 A 37 GLN HBx A 37 GLN HE2x 1.0 . 5.40 933 629 A 37 GLN HBx A 37 GLN HE2y 1.0 . 5.40 934 630 A 37 GLN HBx A 38 ILE H 1.0 . 4.99 935 631 A 38 ILE H A 37 GLN HGy 1.0 . 5.34 936 631 A 37 GLN HGx A 38 ILE H 1.0 . 5.34 937 632 A 38 ILE HG1x A 38 ILE H 1.0 . 4.61 938 633 A 38 ILE HD1% A 38 ILE H 1.0 . 5.25 939 634 A 38 ILE HG2% A 38 ILE H 1.0 . 4.50 940 635 A 38 ILE H A 51 ILE H 1.0 . 5.50 941 636 A 51 ILE HB A 38 ILE H 1.0 . 5.50 942 637 A 38 ILE HA A 38 ILE HD1% 1.0 . 4.77 943 638 A 38 ILE HA A 38 ILE HG2% 1.0 . 4.03 944 639 A 38 ILE HA A 61 TYR HE% 1.0 . 4.88 945 640 A 38 ILE HD1% A 38 ILE HB 1.0 . 3.82 946 641 A 38 ILE HB A 39 VAL H 1.0 . 5.50 947 642 A 38 ILE HB A 51 ILE H 1.0 . 4.81 948 643 A 38 ILE HB A 51 ILE HB 1.0 . 4.40 949 644 A 38 ILE HB A 51 ILE HG1x 1.0 . 5.50 950 645 A 38 ILE HB A 51 ILE HD1% 1.0 . 5.04 951 646 A 38 ILE HB A 51 ILE HG2% 1.0 . 5.01 952 647 A 38 ILE HG1x A 39 VAL H 1.0 . 5.50 953 648 A 38 ILE HG1x A 58 CYS HBy 1.0 . 5.39 954 649 A 38 ILE HG1x A 61 TYR HE% 1.0 . 5.50 955 650 A 38 ILE HD1% A 39 VAL H 1.0 . 5.50 956 651 A 38 ILE HD1% A 53 PRO HA 1.0 . 4.01 957 652 A 38 ILE HD1% A 53 PRO HBy 1.0 . 4.92 958 653 A 38 ILE HD1% A 58 CYS HA 1.0 . 5.32 959 654 A 38 ILE HD1% A 58 CYS HBy 1.0 . 5.50 960 655 A 38 ILE HD1% A 61 TYR HD% 1.0 . 5.09 961 656 A 38 ILE HD1% A 61 TYR HE% 1.0 . 5.50 962 657 A 38 ILE HG1x A 38 ILE HG2% 1.0 . 3.32 963 658 A 38 ILE HD1% A 38 ILE HG2% 1.0 . 2.40 964 659 A 39 VAL H A 38 ILE HG2% 1.0 . 3.89 965 660 A 39 VAL HA A 38 ILE HG2% 1.0 . 5.24 966 661 A 38 ILE HG2% A 51 ILE H 1.0 . 5.17 967 662 A 51 ILE HG1x A 38 ILE HG2% 1.0 . 4.81 968 663 A 57 TRP HH2 A 38 ILE HG2% 1.0 . 5.50 969 664 A 58 CYS HA A 38 ILE HG2% 1.0 . 5.42 970 665 A 58 CYS HBy A 38 ILE HG2% 1.0 . 5.14 971 666 A 61 TYR HD% A 38 ILE HG2% 1.0 . 4.15 972 667 A 61 TYR HE% A 38 ILE HG2% 1.0 . 5.49 973 668 A 39 VAL HB A 39 VAL H 1.0 . 4.17 974 669 A 39 VAL H A 39 VAL HG1% 1.0 . 3.85 975 669 A 39 VAL H A 39 VAL HG2% 1.0 . 3.85 976 670 A 39 VAL H A 40 ALA H 1.0 . 5.17 977 671 A 39 VAL HA A 39 VAL HG1% 1.0 . 3.94 978 671 A 39 VAL HA A 39 VAL HG2% 1.0 . 3.94 979 672 A 39 VAL HA A 40 ALA H 1.0 . 3.53 980 673 A 39 VAL HA A 50 CYS HA 1.0 . 4.50 981 674 A 39 VAL HA A 51 ILE H 1.0 . 4.80 982 675 A 39 VAL HA A 51 ILE HD1% 1.0 . 5.50 983 676 A 39 VAL HB A 40 ALA H 1.0 . 4.88 984 677 A 39 VAL HG2% B 215 GLU HB2 1.0 . 4.42 985 677 A 39 VAL HG1% B 215 GLU HB2 1.0 . 4.42 986 677 B 215 GLU HB3 A 39 VAL HG1% 1.0 . 4.42 987 677 A 39 VAL HG2% B 215 GLU HB3 1.0 . 4.42 988 678 A 40 ALA H A 39 VAL HG1% 1.0 . 3.74 989 678 A 40 ALA H A 39 VAL HG2% 1.0 . 3.74 990 679 A 48 GLN HE2y A 39 VAL HG1% 1.0 . 5.01 991 679 A 48 GLN HE2y A 39 VAL HG2% 1.0 . 5.01 992 680 A 48 GLN HE2x A 39 VAL HG1% 1.0 . 4.60 993 680 A 48 GLN HE2x A 39 VAL HG2% 1.0 . 4.60 994 681 A 39 VAL HG1% A 48 GLN HGx 1.0 . 4.13 995 681 A 39 VAL HG2% A 48 GLN HGx 1.0 . 4.13 996 682 A 50 CYS HA A 39 VAL HG1% 1.0 . 4.57 997 682 A 50 CYS HA A 39 VAL HG2% 1.0 . 4.57 998 683 A 50 CYS HBx A 39 VAL HG1% 1.0 . 5.50 999 683 A 50 CYS HBx A 39 VAL HG2% 1.0 . 5.50 1000 684 A 40 ALA HB% A 40 ALA H 1.0 . 3.81 1001 685 A 41 ARG H A 40 ALA H 1.0 . 5.45 1002 686 A 40 ALA H A 48 GLN HGx 1.0 . 5.25 1003 686 A 40 ALA H A 48 GLN HGy 1.0 . 5.25 1004 687 A 40 ALA H A 49 VAL H 1.0 . 4.30 1005 688 A 49 VAL HGx% A 40 ALA H 1.0 . 5.50 1006 689 A 49 VAL HGy% A 40 ALA H 1.0 . 4.99 1007 690 A 50 CYS HA A 40 ALA H 1.0 . 4.59 1008 691 A 40 ALA H A 51 ILE H 1.0 . 5.21 1009 692 A 51 ILE HG1x A 40 ALA H 1.0 . 5.50 1010 693 A 51 ILE HD1% A 40 ALA H 1.0 . 4.32 1011 694 A 40 ALA HB% A 41 ARG H 1.0 . 3.72 1012 695 A 40 ALA HB% A 49 VAL H 1.0 . 4.68 1013 696 A 49 VAL HB A 40 ALA HB% 1.0 . 5.50 1014 697 A 49 VAL HGx% A 40 ALA HB% 1.0 . 3.84 1015 698 A 50 CYS HA A 40 ALA HB% 1.0 . 5.50 1016 699 A 51 ILE HB A 40 ALA HB% 1.0 . 4.90 1017 700 A 57 TRP HH2 A 40 ALA HB% 1.0 . 5.50 1018 701 A 41 ARG HBy A 41 ARG H 1.0 . 3.99 1019 702 A 41 ARG HGy A 41 ARG H 1.0 . 4.06 1020 703 A 41 ARG H A 41 ARG HD2 1.0 . 5.50 1021 703 A 41 ARG H A 41 ARG HD3 1.0 . 5.50 1022 704 A 41 ARG H A 42 LEU H 1.0 . 5.19 1023 705 A 49 VAL HGx% A 41 ARG H 1.0 . 5.07 1024 706 A 41 ARG HA A 41 ARG HD2 1.0 . 4.47 1025 706 A 41 ARG HA A 41 ARG HD3 1.0 . 4.47 1026 707 A 41 ARG HA A 42 LEU H 1.0 . 3.57 1027 708 A 41 ARG HA A 47 ARG H 1.0 . 5.41 1028 709 A 41 ARG HA A 48 GLN HGx 1.0 . 5.34 1029 709 A 41 ARG HA A 48 GLN HGy 1.0 . 5.34 1030 710 A 41 ARG HA A 49 VAL H 1.0 . 5.07 1031 711 A 41 ARG HBy A 41 ARG HD2 1.0 . 3.80 1032 711 A 41 ARG HBy A 41 ARG HD3 1.0 . 3.80 1033 712 A 41 ARG HBy A 42 LEU H 1.0 . 5.50 1034 713 A 41 ARG HBy A 48 GLN HGx 1.0 . 5.32 1035 713 A 41 ARG HBy A 48 GLN HGy 1.0 . 5.32 1036 714 A 41 ARG HGy A 42 LEU H 1.0 . 5.41 1037 715 A 41 ARG HGy A 48 GLN HE2y 1.0 . 5.50 1038 716 A 41 ARG HGy A 48 GLN HGx 1.0 . 5.26 1039 716 A 41 ARG HGy A 48 GLN HGy 1.0 . 5.26 1040 717 A 41 ARG HGy A 49 VAL H 1.0 . 5.16 1041 718 A 42 LEU H A 41 ARG HD2 1.0 . 4.85 1042 718 A 41 ARG HD3 A 42 LEU H 1.0 . 4.85 1043 719 A 48 GLN H A 41 ARG HD2 1.0 . 5.30 1044 719 A 41 ARG HD3 A 48 GLN H 1.0 . 5.30 1045 720 A 48 GLN HA A 41 ARG HD2 1.0 . 5.50 1046 720 A 48 GLN HA A 41 ARG HD3 1.0 . 5.50 1047 721 A 41 ARG HD2 A 48 GLN HGx 1.0 . 5.50 1048 721 A 41 ARG HD3 A 48 GLN HGx 1.0 . 5.50 1049 722 A 42 LEU HBy A 42 LEU H 1.0 . 4.18 1050 723 A 42 LEU HG A 42 LEU H 1.0 . 3.88 1051 724 A 42 LEU HDx% A 42 LEU H 1.0 . 4.46 1052 725 A 42 LEU H A 42 LEU HDy% 1.0 . 4.46 1053 726 A 42 LEU H A 42 LEU HDy% 1.0 . 3.79 1054 726 A 42 LEU HDx% A 42 LEU H 1.0 . 3.79 1055 727 A 43 LYS H A 42 LEU H 1.0 . 4.91 1056 728 A 42 LEU H A 46 ASN H 1.0 . 5.50 1057 729 A 42 LEU H A 47 ARG H 1.0 . 4.74 1058 730 A 48 GLN HA A 42 LEU H 1.0 . 3.65 1059 731 A 49 VAL HGx% A 42 LEU H 1.0 . 4.66 1060 732 A 42 LEU HA A 42 LEU HDx% 1.0 . 5.23 1061 733 A 42 LEU HA A 42 LEU HDy% 1.0 . 5.23 1062 734 A 42 LEU HA A 42 LEU HDy% 1.0 . 3.80 1063 734 A 42 LEU HA A 42 LEU HDx% 1.0 . 3.80 1064 735 A 42 LEU HBy A 43 LYS H 1.0 . 4.57 1065 736 A 42 LEU HBy A 45 ASN H 1.0 . 5.50 1066 737 A 42 LEU HBy A 47 ARG H 1.0 . 4.21 1067 738 A 42 LEU HG A 43 LYS H 1.0 . 5.50 1068 739 A 42 LEU HG A 47 ARG H 1.0 . 5.50 1069 740 A 42 LEU HDx% A 43 LYS H 1.0 . 4.80 1070 741 A 45 ASN HD2x A 42 LEU HDx% 1.0 . 5.50 1071 742 A 42 LEU HDx% A 47 ARG H 1.0 . 4.47 1072 743 A 47 ARG HBy A 42 LEU HDx% 1.0 . 5.50 1073 744 A 43 LYS H A 42 LEU HDy% 1.0 . 4.80 1074 745 A 45 ASN HD2x A 42 LEU HDy% 1.0 . 5.50 1075 746 A 47 ARG H A 42 LEU HDy% 1.0 . 4.47 1076 747 A 47 ARG HBy A 42 LEU HDy% 1.0 . 5.50 1077 748 A 43 LYS H A 42 LEU HDy% 1.0 . 3.76 1078 748 A 42 LEU HDx% A 43 LYS H 1.0 . 3.76 1079 749 A 45 ASN H A 42 LEU HDy% 1.0 . 5.33 1080 749 A 42 LEU HDx% A 45 ASN H 1.0 . 5.33 1081 750 A 45 ASN HD2y A 42 LEU HDy% 1.0 . 4.63 1082 750 A 45 ASN HD2y A 42 LEU HDx% 1.0 . 4.63 1083 751 A 45 ASN HD2x A 42 LEU HDy% 1.0 . 4.61 1084 751 A 45 ASN HD2x A 42 LEU HDx% 1.0 . 4.61 1085 752 A 47 ARG H A 42 LEU HDy% 1.0 . 3.89 1086 752 A 42 LEU HDx% A 47 ARG H 1.0 . 3.89 1087 753 A 47 ARG HBy A 42 LEU HDy% 1.0 . 4.48 1088 753 A 47 ARG HBy A 42 LEU HDx% 1.0 . 4.48 1089 754 A 42 LEU HDx% A 47 ARG HDy 1.0 . 4.71 1090 754 A 42 LEU HDy% A 47 ARG HDy 1.0 . 4.71 1091 754 A 47 ARG HDx A 42 LEU HDy% 1.0 . 4.71 1092 754 A 42 LEU HDx% A 47 ARG HDx 1.0 . 4.71 1093 755 A 42 LEU HDy% A 47 ARG HG2 1.0 . 4.78 1094 755 A 42 LEU HDx% A 47 ARG HG2 1.0 . 4.78 1095 755 A 47 ARG HG3 A 42 LEU HDy% 1.0 . 4.78 1096 755 A 42 LEU HDx% A 47 ARG HG3 1.0 . 4.78 1097 756 A 43 LYS HBy A 43 LYS H 1.0 . 3.92 1098 757 A 43 LYS HEy A 43 LYS H 1.0 . 5.50 1099 758 A 43 LYS H A 43 LYS HGy 1.0 . 4.38 1100 759 A 43 LYS H A 43 LYS HD2 1.0 . 5.50 1101 759 A 43 LYS HD3 A 43 LYS H 1.0 . 5.50 1102 760 A 43 LYS H A 43 LYS HGy 1.0 . 3.74 1103 760 A 43 LYS H A 43 LYS HGx 1.0 . 3.74 1104 761 A 43 LYS H A 45 ASN H 1.0 . 5.50 1105 762 A 43 LYS H A 47 ARG H 1.0 . 5.50 1106 763 A 43 LYS HA A 43 LYS HEy 1.0 . 5.50 1107 764 A 43 LYS HA A 43 LYS HD2 1.0 . 4.53 1108 764 A 43 LYS HA A 43 LYS HD3 1.0 . 4.53 1109 765 A 43 LYS HBy A 43 LYS HEy 1.0 . 5.38 1110 766 A 43 LYS HBy A 43 LYS HD2 1.0 . 3.15 1111 766 A 43 LYS HBy A 43 LYS HD3 1.0 . 3.15 1112 767 A 44 ASN HBy A 45 ASN H 1.0 . 5.50 1113 768 A 44 ASN HD2x A 45 ASN H 1.0 . 5.50 1114 769 A 44 ASN HD2y A 45 ASN H 1.0 . 5.50 1115 770 A 46 ASN H A 45 ASN H 1.0 . 5.31 1116 771 A 47 ARG H A 45 ASN H 1.0 . 4.80 1117 772 A 45 ASN HD2y A 45 ASN HA 1.0 . 5.12 1118 773 A 45 ASN HD2x A 45 ASN HA 1.0 . 4.79 1119 774 A 45 ASN HD2x A 45 ASN HBx 1.0 . 4.08 1120 775 A 45 ASN HD2y A 47 ARG H 1.0 . 5.36 1121 776 A 45 ASN HD2y A 47 ARG HDy 1.0 . 5.50 1122 777 A 45 ASN HD2x A 47 ARG HDy 1.0 . 5.50 1123 778 A 47 ARG H A 46 ASN HBx 1.0 . 3.53 1124 778 A 47 ARG H A 46 ASN HBy 1.0 . 3.53 1125 779 A 47 ARG H A 47 ARG HDy 1.0 . 5.50 1126 780 A 47 ARG H A 47 ARG HG2 1.0 . 3.58 1127 780 A 47 ARG H A 47 ARG HG3 1.0 . 3.58 1128 781 A 47 ARG H A 48 GLN H 1.0 . 4.62 1129 782 A 47 ARG HA A 47 ARG HDy 1.0 . 5.50 1130 783 A 47 ARG HA A 47 ARG HG2 1.0 . 4.06 1131 783 A 47 ARG HA A 47 ARG HG3 1.0 . 4.06 1132 784 A 47 ARG HA A 48 GLN H 1.0 . 3.28 1133 785 A 47 ARG HBy A 48 GLN H 1.0 . 4.02 1134 786 B 221 TYR HE% A 47 ARG HDy 1.0 . 4.02 1135 786 A 47 ARG HDx B 221 TYR HE% 1.0 . 4.02 1136 787 A 48 GLN H A 47 ARG HDy 1.0 . 5.34 1137 787 A 48 GLN H A 47 ARG HDx 1.0 . 5.34 1138 788 A 48 GLN H A 47 ARG HG2 1.0 . 4.01 1139 788 A 48 GLN H A 47 ARG HG3 1.0 . 4.01 1140 789 A 48 GLN HBx A 48 GLN H 1.0 . 3.92 1141 790 A 48 GLN H A 48 GLN HGx 1.0 . 4.42 1142 791 A 48 GLN H A 48 GLN HGx 1.0 . 3.86 1143 791 A 48 GLN HGy A 48 GLN H 1.0 . 3.86 1144 792 A 49 VAL H A 48 GLN H 1.0 . 4.79 1145 793 A 48 GLN HA A 49 VAL H 1.0 . 3.30 1146 794 A 48 GLN HA A 49 VAL HGx% 1.0 . 4.69 1147 795 A 48 GLN HBx A 48 GLN HE2y 1.0 . 5.00 1148 796 A 48 GLN HBx A 48 GLN HE2x 1.0 . 4.82 1149 797 A 48 GLN HBx A 49 VAL H 1.0 . 4.47 1150 798 A 49 VAL H A 48 GLN HGx 1.0 . 4.09 1151 798 A 48 GLN HGy A 49 VAL H 1.0 . 4.09 1152 799 A 49 VAL HB A 49 VAL H 1.0 . 4.08 1153 800 A 49 VAL HGx% A 49 VAL H 1.0 . 3.87 1154 801 A 49 VAL HGy% A 49 VAL H 1.0 . 4.21 1155 802 A 50 CYS H A 49 VAL H 1.0 . 5.19 1156 803 A 49 VAL HA B 221 TYR HD% 1.0 . 4.46 1157 804 A 49 VAL HA A 49 VAL HGx% 1.0 . 3.97 1158 805 A 49 VAL HA A 50 CYS H 1.0 . 3.50 1159 806 A 49 VAL HB A 50 CYS H 1.0 . 4.23 1160 807 B 221 TYR HD% A 49 VAL HGx% 1.0 . 4.44 1161 808 A 49 VAL HGx% B 221 TYR HE% 1.0 . 4.95 1162 809 A 50 CYS H A 49 VAL HGx% 1.0 . 4.01 1163 810 A 50 CYS H A 49 VAL HGy% 1.0 . 4.19 1164 811 A 50 CYS HA A 49 VAL HGy% 1.0 . 5.50 1165 812 A 51 ILE HA A 49 VAL HGy% 1.0 . 5.50 1166 813 A 51 ILE HB A 50 CYS HA 1.0 . 5.50 1167 814 A 51 ILE HG1x A 50 CYS HA 1.0 . 5.50 1168 815 A 51 ILE HD1% A 50 CYS HA 1.0 . 5.50 1169 816 A 50 CYS HBx A 51 ILE H 1.0 . 4.75 1170 817 A 51 ILE HB A 51 ILE H 1.0 . 4.21 1171 818 A 51 ILE HG1x A 51 ILE H 1.0 . 4.82 1172 819 A 51 ILE HD1% A 51 ILE H 1.0 . 4.95 1173 820 A 51 ILE HG2% A 51 ILE H 1.0 . 4.21 1174 821 A 52 ASP H A 51 ILE H 1.0 . 5.50 1175 822 A 51 ILE HA A 51 ILE HD1% 1.0 . 4.34 1176 823 A 51 ILE HA A 52 ASP HBy 1.0 . 5.50 1177 824 A 51 ILE HA A 57 TRP HZ2 1.0 . 5.50 1178 825 A 51 ILE HD1% A 51 ILE HB 1.0 . 3.75 1179 826 A 51 ILE HB A 52 ASP H 1.0 . 4.88 1180 827 A 51 ILE HG1x A 52 ASP H 1.0 . 5.29 1181 828 A 51 ILE HG1x A 57 TRP HZ2 1.0 . 5.43 1182 829 A 51 ILE HD1% A 52 ASP H 1.0 . 5.26 1183 830 A 51 ILE HD1% A 57 TRP HE1 1.0 . 5.50 1184 831 A 51 ILE HD1% A 57 TRP HH2 1.0 . 4.39 1185 832 A 51 ILE HD1% A 57 TRP HZ2 1.0 . 4.39 1186 833 A 51 ILE HD1% A 51 ILE HG2% 1.0 . 2.56 1187 834 A 52 ASP H A 51 ILE HG2% 1.0 . 3.93 1188 835 A 52 ASP HA A 51 ILE HG2% 1.0 . 5.50 1189 836 A 52 ASP HBy A 51 ILE HG2% 1.0 . 5.50 1190 837 A 53 PRO HA A 51 ILE HG2% 1.0 . 5.50 1191 838 A 51 ILE HG2% A 55 CYS HBy 1.0 . 5.08 1192 839 A 51 ILE HG2% A 55 CYS HBx 1.0 . 4.40 1193 839 A 51 ILE HG2% A 55 CYS HBy 1.0 . 4.40 1194 840 A 57 TRP HE1 A 51 ILE HG2% 1.0 . 4.51 1195 841 A 57 TRP HH2 A 51 ILE HG2% 1.0 . 3.70 1196 842 A 57 TRP HZ2 A 51 ILE HG2% 1.0 . 3.57 1197 843 A 52 ASP H A 52 ASP HBy 1.0 . 3.77 1198 844 A 52 ASP H A 53 PRO HDy 1.0 . 4.88 1199 844 A 52 ASP H A 53 PRO HDx 1.0 . 4.88 1200 845 A 52 ASP H A 55 CYS H 1.0 . 5.25 1201 846 A 52 ASP HA A 53 PRO HGx 1.0 . 5.50 1202 847 A 52 ASP HA A 53 PRO HGy 1.0 . 4.79 1203 847 A 52 ASP HA A 53 PRO HGx 1.0 . 4.79 1204 848 A 52 ASP HA A 54 LYS H 1.0 . 4.81 1205 849 B 226 GLU HA A 52 ASP HBy 1.0 . 5.50 1206 850 A 52 ASP HBy A 53 PRO HDx 1.0 . 5.50 1207 851 A 52 ASP HBy A 54 LYS H 1.0 . 5.34 1208 852 B 226 GLU H A 52 ASP HBx 1.0 . 4.24 1209 852 A 52 ASP HBy B 226 GLU H 1.0 . 4.24 1210 853 A 54 LYS H A 52 ASP HBx 1.0 . 4.66 1211 853 A 52 ASP HBy A 54 LYS H 1.0 . 4.66 1212 854 A 55 CYS H A 52 ASP HBx 1.0 . 4.74 1213 854 A 52 ASP HBy A 55 CYS H 1.0 . 4.74 1214 855 A 53 PRO HA A 55 CYS H 1.0 . 4.43 1215 856 A 53 PRO HA A 58 CYS HBy 1.0 . 5.42 1216 857 A 53 PRO HA A 62 LEU HDx% 1.0 . 4.52 1217 858 A 53 PRO HBy A 62 LEU HDx% 1.0 . 3.81 1218 859 A 53 PRO HDx A 54 LYS H 1.0 . 4.58 1219 860 A 54 LYS H A 53 PRO HDy 1.0 . 3.98 1220 860 A 53 PRO HDx A 54 LYS H 1.0 . 3.98 1221 861 A 54 LYS H A 53 PRO HGy 1.0 . 4.97 1222 861 A 53 PRO HGx A 54 LYS H 1.0 . 4.97 1223 862 A 54 LYS H A 54 LYS HBy 1.0 . 3.76 1224 863 A 54 LYS H A 54 LYS HBy 1.0 . 3.25 1225 863 A 54 LYS H A 54 LYS HBx 1.0 . 3.25 1226 864 A 54 LYS H A 54 LYS HD2 1.0 . 5.45 1227 864 A 54 LYS H A 54 LYS HD3 1.0 . 5.45 1228 865 A 54 LYS H A 54 LYS HE2 1.0 . 5.50 1229 865 A 54 LYS HE3 A 54 LYS H 1.0 . 5.50 1230 866 A 54 LYS H A 54 LYS HGy 1.0 . 3.74 1231 866 A 54 LYS H A 54 LYS HGx 1.0 . 3.74 1232 867 A 55 CYS H A 54 LYS H 1.0 . 3.45 1233 868 A 55 CYS HA A 54 LYS H 1.0 . 5.40 1234 869 A 54 LYS H A 55 CYS HBx 1.0 . 4.85 1235 869 A 55 CYS HBy A 54 LYS H 1.0 . 4.85 1236 870 A 54 LYS HA A 54 LYS HD2 1.0 . 4.73 1237 870 A 54 LYS HA A 54 LYS HD3 1.0 . 4.73 1238 871 A 54 LYS HA A 59 GLN HE2x 1.0 . 5.43 1239 872 A 54 LYS HA A 59 GLN HE2y 1.0 . 5.43 1240 873 A 54 LYS HA A 59 GLN HE2x 1.0 . 4.65 1241 873 A 54 LYS HA A 59 GLN HE2y 1.0 . 4.65 1242 874 A 55 CYS H A 54 LYS HBy 1.0 . 3.97 1243 875 A 55 CYS H A 54 LYS HGy 1.0 . 5.43 1244 876 A 54 LYS HBx A 54 LYS HD2 1.0 . 3.64 1245 876 A 54 LYS HBy A 54 LYS HD2 1.0 . 3.64 1246 876 A 54 LYS HD3 A 54 LYS HBy 1.0 . 3.64 1247 876 A 54 LYS HBx A 54 LYS HD3 1.0 . 3.64 1248 877 A 54 LYS HBy A 54 LYS HE2 1.0 . 3.34 1249 877 A 54 LYS HBx A 54 LYS HE2 1.0 . 3.34 1250 877 A 54 LYS HE3 A 54 LYS HBy 1.0 . 3.34 1251 877 A 54 LYS HE3 A 54 LYS HBx 1.0 . 3.34 1252 878 A 55 CYS H A 54 LYS HBy 1.0 . 3.40 1253 878 A 55 CYS H A 54 LYS HBx 1.0 . 3.40 1254 879 A 55 CYS H A 54 LYS HGy 1.0 . 4.61 1255 879 A 55 CYS H A 54 LYS HGx 1.0 . 4.61 1256 880 A 58 CYS SG A 55 CYS CB 1.0 . 3.10 1257 881 A 55 CYS HBy A 55 CYS H 1.0 . 3.85 1258 882 A 55 CYS H A 55 CYS HBx 1.0 . 3.31 1259 882 A 55 CYS HBy A 55 CYS H 1.0 . 3.31 1260 883 A 58 CYS HBy A 55 CYS H 1.0 . 5.35 1261 884 A 55 CYS SG A 58 CYS CB 1.0 . 3.10 1262 885 A 55 CYS SG A 58 CYS SG 1.0 . 2.10 1263 886 A 56 LYS HA A 56 LYS HD2 1.0 . 4.68 1264 886 A 56 LYS HA A 56 LYS HD3 1.0 . 4.68 1265 887 A 56 LYS HA A 56 LYS HE2 1.0 . 5.50 1266 887 A 56 LYS HA A 56 LYS HE3 1.0 . 5.50 1267 888 A 56 LYS HA A 58 CYS H 1.0 . 5.06 1268 889 A 56 LYS HA A 59 GLN H 1.0 . 5.50 1269 890 A 56 LYS HA A 59 GLN HB2 1.0 . 5.06 1270 890 A 56 LYS HA A 59 GLN HB3 1.0 . 5.06 1271 891 A 56 LYS HA A 59 GLN HG2 1.0 . 4.69 1272 891 A 56 LYS HA A 59 GLN HG3 1.0 . 4.69 1273 892 B 228 ALA H A 56 LYS HB2 1.0 . 5.22 1274 892 A 56 LYS HB3 B 228 ALA H 1.0 . 5.22 1275 893 A 56 LYS HB2 A 56 LYS HD2 1.0 . 3.85 1276 893 A 56 LYS HB3 A 56 LYS HD2 1.0 . 3.85 1277 893 A 56 LYS HD3 A 56 LYS HB2 1.0 . 3.85 1278 893 A 56 LYS HD3 A 56 LYS HB3 1.0 . 3.85 1279 894 A 56 LYS HB3 A 56 LYS HE2 1.0 . 5.02 1280 894 A 56 LYS HB2 A 56 LYS HE2 1.0 . 5.02 1281 894 A 56 LYS HE3 A 56 LYS HB2 1.0 . 5.02 1282 894 A 56 LYS HE3 A 56 LYS HB3 1.0 . 5.02 1283 895 A 57 TRP H A 56 LYS HB2 1.0 . 4.42 1284 895 A 56 LYS HB3 A 57 TRP H 1.0 . 4.42 1285 896 A 57 TRP HD1 A 56 LYS HB2 1.0 . 4.56 1286 896 A 57 TRP HD1 A 56 LYS HB3 1.0 . 4.56 1287 897 A 58 CYS H A 56 LYS HB2 1.0 . 5.24 1288 897 A 58 CYS H A 56 LYS HB3 1.0 . 5.24 1289 898 A 57 TRP H A 56 LYS HGx 1.0 . 5.34 1290 898 A 57 TRP H A 56 LYS HGy 1.0 . 5.34 1291 899 A 57 TRP HD1 A 56 LYS HGx 1.0 . 5.13 1292 899 A 57 TRP HD1 A 56 LYS HGy 1.0 . 5.13 1293 900 A 58 CYS H A 56 LYS HGx 1.0 . 5.34 1294 900 A 58 CYS H A 56 LYS HGy 1.0 . 5.34 1295 901 A 57 TRP HD1 A 57 TRP H 1.0 . 4.32 1296 902 A 57 TRP HE1 A 57 TRP H 1.0 . 5.37 1297 903 A 58 CYS H A 57 TRP H 1.0 . 4.28 1298 904 A 59 GLN H A 57 TRP H 1.0 . 5.50 1299 905 A 57 TRP HA A 57 TRP HD1 1.0 . 5.12 1300 906 A 57 TRP HA A 59 GLN H 1.0 . 5.25 1301 907 A 57 TRP HA A 60 GLU H 1.0 . 5.24 1302 908 A 57 TRP HA A 60 GLU HBy 1.0 . 5.50 1303 909 A 57 TRP HD1 A 58 CYS H 1.0 . 5.31 1304 910 A 57 TRP HE3 A 58 CYS H 1.0 . 5.50 1305 911 A 58 CYS HA A 57 TRP HE3 1.0 . 4.91 1306 912 A 57 TRP HE3 A 61 TYR HA 1.0 . 5.50 1307 913 A 57 TRP HE3 A 61 TYR HBy 1.0 . 5.50 1308 914 A 57 TRP HE3 A 61 TYR HD% 1.0 . 4.55 1309 915 A 57 TRP HH2 A 61 TYR HBy 1.0 . 5.50 1310 916 A 57 TRP HH2 A 61 TYR HD% 1.0 . 4.61 1311 917 A 58 CYS HA A 57 TRP HZ3 1.0 . 5.50 1312 918 A 57 TRP HZ3 A 61 TYR HD% 1.0 . 4.84 1313 919 A 57 TRP HE1 A 57 TRP HBx 1.0 . 4.64 1314 919 A 57 TRP HE1 A 57 TRP HBy 1.0 . 4.64 1315 920 A 58 CYS HBy A 58 CYS H 1.0 . 4.07 1316 921 A 58 CYS H A 59 GLN H 1.0 . 4.25 1317 922 A 58 CYS H A 60 GLU H 1.0 . 4.60 1318 923 A 58 CYS HA A 60 GLU H 1.0 . 5.50 1319 924 A 58 CYS HA A 61 TYR H 1.0 . 4.84 1320 925 A 58 CYS HA A 61 TYR HBy 1.0 . 5.50 1321 926 A 58 CYS HA A 61 TYR HD% 1.0 . 4.19 1322 927 A 58 CYS HA A 62 LEU H 1.0 . 5.50 1323 928 A 58 CYS HBy A 59 GLN H 1.0 . 4.87 1324 929 A 58 CYS HBy A 62 LEU HDx% 1.0 . 5.50 1325 930 A 59 GLN H A 59 GLN HB2 1.0 . 3.48 1326 930 A 59 GLN H A 59 GLN HB3 1.0 . 3.48 1327 931 A 59 GLN H A 59 GLN HG2 1.0 . 4.00 1328 931 A 59 GLN H A 59 GLN HG3 1.0 . 4.00 1329 932 A 59 GLN H A 60 GLU H 1.0 . 2.74 1330 933 A 59 GLN H A 61 TYR H 1.0 . 4.52 1331 934 A 62 LEU HDx% A 59 GLN H 1.0 . 5.24 1332 935 A 59 GLN HA A 59 GLN HE2x 1.0 . 5.50 1333 936 A 59 GLN HA A 59 GLN HE2y 1.0 . 5.50 1334 937 A 59 GLN HA A 59 GLN HE2x 1.0 . 4.76 1335 937 A 59 GLN HA A 59 GLN HE2y 1.0 . 4.76 1336 938 A 59 GLN HA A 59 GLN HG2 1.0 . 4.14 1337 938 A 59 GLN HA A 59 GLN HG3 1.0 . 4.14 1338 939 A 59 GLN HA A 61 TYR H 1.0 . 5.50 1339 940 A 59 GLN HA A 62 LEU H 1.0 . 4.22 1340 941 A 59 GLN HA A 62 LEU HBy 1.0 . 4.39 1341 942 A 59 GLN HA A 62 LEU HDx% 1.0 . 4.22 1342 943 A 59 GLN HA A 62 LEU HDy% 1.0 . 4.90 1343 944 A 59 GLN HE2x A 62 LEU HDx% 1.0 . 4.85 1344 945 A 59 GLN HE2y A 62 LEU HDx% 1.0 . 4.85 1345 946 A 59 GLN HE2x A 59 GLN HB3 1.0 . 4.50 1346 946 A 59 GLN HE2y A 59 GLN HB2 1.0 . 4.50 1347 946 A 59 GLN HE2y A 59 GLN HB3 1.0 . 4.50 1348 946 A 59 GLN HE2x A 59 GLN HB2 1.0 . 4.50 1349 947 A 60 GLU H A 59 GLN HB2 1.0 . 3.96 1350 947 A 59 GLN HB3 A 60 GLU H 1.0 . 3.96 1351 948 A 62 LEU HBy A 59 GLN HB2 1.0 . 4.88 1352 948 A 62 LEU HBy A 59 GLN HB3 1.0 . 4.88 1353 949 A 62 LEU HDx% A 59 GLN HB2 1.0 . 5.36 1354 949 A 62 LEU HDx% A 59 GLN HB3 1.0 . 5.36 1355 950 A 60 GLU H A 59 GLN HG2 1.0 . 4.37 1356 950 A 59 GLN HG3 A 60 GLU H 1.0 . 4.37 1357 951 A 62 LEU HBy A 59 GLN HG2 1.0 . 5.23 1358 951 A 62 LEU HBy A 59 GLN HG3 1.0 . 5.23 1359 952 A 62 LEU HDx% A 59 GLN HG2 1.0 . 4.93 1360 952 A 62 LEU HDx% A 59 GLN HG3 1.0 . 4.93 1361 953 A 60 GLU H A 60 GLU HBy 1.0 . 3.67 1362 954 A 60 GLU H A 60 GLU HBy 1.0 . 3.07 1363 954 A 60 GLU H A 60 GLU HBx 1.0 . 3.07 1364 955 A 60 GLU H A 60 GLU HG2 1.0 . 3.23 1365 955 A 60 GLU H A 60 GLU HG3 1.0 . 3.23 1366 956 A 60 GLU H A 61 TYR H 1.0 . 3.95 1367 957 A 60 GLU H A 62 LEU H 1.0 . 5.32 1368 958 A 60 GLU HA A 60 GLU HG2 1.0 . 3.72 1369 958 A 60 GLU HA A 60 GLU HG3 1.0 . 3.72 1370 959 A 60 GLU HA A 62 LEU H 1.0 . 5.34 1371 960 A 60 GLU HA A 63 GLU H 1.0 . 4.12 1372 961 A 60 GLU HA A 63 GLU HGy 1.0 . 5.09 1373 962 A 60 GLU HA A 63 GLU HGx 1.0 . 4.43 1374 962 A 60 GLU HA A 63 GLU HGy 1.0 . 4.43 1375 963 A 60 GLU HA A 64 LYS H 1.0 . 5.50 1376 964 A 60 GLU HA A 64 LYS HB2 1.0 . 5.50 1377 964 A 60 GLU HA A 64 LYS HB3 1.0 . 5.50 1378 965 A 61 TYR H A 60 GLU HBy 1.0 . 4.78 1379 966 A 62 LEU H A 60 GLU HBy 1.0 . 5.50 1380 967 A 61 TYR H A 60 GLU HBy 1.0 . 4.19 1381 967 A 61 TYR H A 60 GLU HBx 1.0 . 4.19 1382 968 A 61 TYR H A 60 GLU HG2 1.0 . 4.53 1383 968 A 61 TYR H A 60 GLU HG3 1.0 . 4.53 1384 969 A 61 TYR HBy A 61 TYR H 1.0 . 4.14 1385 970 A 61 TYR HD% A 61 TYR H 1.0 . 4.61 1386 971 A 61 TYR HE% A 61 TYR H 1.0 . 5.50 1387 972 A 61 TYR H A 62 LEU H 1.0 . 4.00 1388 973 A 61 TYR HA B 204 ILE HD1% 1.0 . 5.50 1389 974 A 61 TYR HA B 204 ILE HG2% 1.0 . 5.50 1390 975 A 61 TYR HA A 61 TYR HD% 1.0 . 3.82 1391 976 A 61 TYR HA A 63 GLU H 1.0 . 5.50 1392 977 A 61 TYR HA A 64 LYS H 1.0 . 4.78 1393 978 A 61 TYR HA A 64 LYS HB2 1.0 . 4.40 1394 978 A 61 TYR HA A 64 LYS HB3 1.0 . 4.40 1395 979 A 61 TYR HA A 64 LYS HD2 1.0 . 5.50 1396 979 A 61 TYR HA A 64 LYS HD3 1.0 . 5.50 1397 980 A 61 TYR HA A 65 ALA H 1.0 . 4.93 1398 981 B 206 ILE HD1% A 61 TYR HBy 1.0 . 5.50 1399 982 A 61 TYR HBy A 62 LEU H 1.0 . 4.42 1400 983 B 204 ILE HB A 61 TYR HD% 1.0 . 4.31 1401 984 B 204 ILE HD1% A 61 TYR HD% 1.0 . 4.38 1402 985 A 61 TYR HD% B 204 ILE HG2% 1.0 . 4.89 1403 986 B 206 ILE HD1% A 61 TYR HD% 1.0 . 4.25 1404 987 A 61 TYR HD% B 206 ILE HG2% 1.0 . 4.67 1405 988 A 61 TYR HD% A 62 LEU H 1.0 . 4.79 1406 989 A 62 LEU HA A 61 TYR HD% 1.0 . 5.50 1407 990 A 62 LEU HG A 61 TYR HD% 1.0 . 5.48 1408 991 A 61 TYR HD% A 62 LEU HDx% 1.0 . 3.96 1409 992 A 61 TYR HD% A 62 LEU HDy% 1.0 . 4.69 1410 993 A 61 TYR HD% A 65 ALA HB% 1.0 . 4.81 1411 994 B 204 ILE HB A 61 TYR HE% 1.0 . 5.26 1412 995 B 204 ILE HD1% A 61 TYR HE% 1.0 . 4.33 1413 996 A 61 TYR HE% B 204 ILE HG2% 1.0 . 4.83 1414 997 B 206 ILE HB A 61 TYR HE% 1.0 . 5.26 1415 998 B 206 ILE HD1% A 61 TYR HE% 1.0 . 4.77 1416 999 A 61 TYR HE% B 206 ILE HG2% 1.0 . 4.80 1417 1000 A 62 LEU HA A 61 TYR HE% 1.0 . 5.01 1418 1001 A 61 TYR HE% A 62 LEU HDx% 1.0 . 4.10 1419 1002 A 61 TYR HE% A 62 LEU HDy% 1.0 . 5.13 1420 1003 A 61 TYR HE% A 65 ALA HB% 1.0 . 4.67 1421 1004 A 62 LEU HBy A 62 LEU H 1.0 . 3.54 1422 1005 A 62 LEU HG A 62 LEU H 1.0 . 3.95 1423 1006 A 62 LEU HDx% A 62 LEU H 1.0 . 3.91 1424 1007 A 62 LEU HDy% A 62 LEU H 1.0 . 4.32 1425 1008 A 62 LEU H A 63 GLU H 1.0 . 3.81 1426 1009 A 62 LEU H A 64 LYS H 1.0 . 5.19 1427 1010 A 62 LEU HA B 206 ILE HD1% 1.0 . 5.50 1428 1011 A 62 LEU HA A 62 LEU HDx% 1.0 . 4.47 1429 1012 A 62 LEU HA A 62 LEU HDy% 1.0 . 3.55 1430 1013 A 62 LEU HA A 64 LYS H 1.0 . 5.50 1431 1014 A 62 LEU HA A 65 ALA H 1.0 . 4.54 1432 1015 A 62 LEU HA A 65 ALA HB% 1.0 . 4.29 1433 1016 A 62 LEU HA A 66 LEU H 1.0 . 5.14 1434 1017 A 62 LEU HA A 66 LEU HG 1.0 . 5.50 1435 1018 A 62 LEU HBy A 62 LEU HG 1.0 . 2.84 1436 1019 A 62 LEU HBy A 62 LEU HDx% 1.0 . 3.68 1437 1020 A 62 LEU HBy A 62 LEU HDy% 1.0 . 3.60 1438 1021 A 62 LEU HBy A 63 GLU H 1.0 . 3.89 1439 1022 A 62 LEU HG A 63 GLU H 1.0 . 5.32 1440 1023 A 62 LEU HDx% A 63 GLU H 1.0 . 4.33 1441 1024 A 62 LEU HDy% A 63 GLU H 1.0 . 5.09 1442 1025 A 63 GLU HBy A 63 GLU H 1.0 . 3.47 1443 1026 A 63 GLU H A 63 GLU HGy 1.0 . 4.36 1444 1027 A 63 GLU H A 63 GLU HGx 1.0 . 3.80 1445 1027 A 63 GLU H A 63 GLU HGy 1.0 . 3.80 1446 1028 A 63 GLU H A 64 LYS H 1.0 . 3.75 1447 1029 A 65 ALA H A 63 GLU H 1.0 . 4.49 1448 1030 A 65 ALA HB% A 63 GLU H 1.0 . 5.50 1449 1031 A 63 GLU HA A 66 LEU H 1.0 . 4.80 1450 1032 A 66 LEU HBy A 63 GLU HA 1.0 . 5.36 1451 1033 A 66 LEU HG A 63 GLU HA 1.0 . 5.50 1452 1034 A 63 GLU HA A 66 LEU HD1% 1.0 . 5.24 1453 1034 A 63 GLU HA A 66 LEU HD2% 1.0 . 5.24 1454 1035 A 63 GLU HBy A 64 LYS H 1.0 . 4.91 1455 1036 A 63 GLU HGy A 64 LYS H 1.0 . 5.32 1456 1037 A 64 LYS H A 63 GLU HGx 1.0 . 4.60 1457 1037 A 63 GLU HGy A 64 LYS H 1.0 . 4.60 1458 1038 A 64 LYS H A 64 LYS HGx 1.0 . 4.46 1459 1039 A 64 LYS H A 64 LYS HB2 1.0 . 3.30 1460 1039 A 64 LYS H A 64 LYS HB3 1.0 . 3.30 1461 1040 A 64 LYS H A 64 LYS HD2 1.0 . 4.59 1462 1040 A 64 LYS H A 64 LYS HD3 1.0 . 4.59 1463 1041 A 64 LYS H A 64 LYS HE2 1.0 . 5.50 1464 1041 A 64 LYS H A 64 LYS HE3 1.0 . 5.50 1465 1042 A 64 LYS H A 64 LYS HGx 1.0 . 3.80 1466 1042 A 64 LYS H A 64 LYS HGy 1.0 . 3.80 1467 1043 A 65 ALA H A 64 LYS H 1.0 . 3.56 1468 1044 A 65 ALA HB% A 64 LYS H 1.0 . 4.92 1469 1045 A 64 LYS H A 66 LEU H 1.0 . 4.21 1470 1046 A 64 LYS HA A 64 LYS HD2 1.0 . 4.41 1471 1046 A 64 LYS HA A 64 LYS HD3 1.0 . 4.41 1472 1047 A 64 LYS HA A 66 LEU H 1.0 . 5.37 1473 1048 A 64 LYS HA A 67 ASN HBx 1.0 . 5.34 1474 1048 A 64 LYS HA A 67 ASN HBy 1.0 . 5.34 1475 1049 A 64 LYS HD3 A 64 LYS HGx 1.0 . 2.87 1476 1049 A 64 LYS HD2 A 64 LYS HGx 1.0 . 2.87 1477 1050 A 64 LYS HE3 A 64 LYS HGx 1.0 . 4.20 1478 1050 A 64 LYS HE2 A 64 LYS HGx 1.0 . 4.20 1479 1051 A 64 LYS HB3 A 64 LYS HD2 1.0 . 3.88 1480 1051 A 64 LYS HD3 A 64 LYS HB2 1.0 . 3.88 1481 1051 A 64 LYS HB3 A 64 LYS HD3 1.0 . 3.88 1482 1051 A 64 LYS HB2 A 64 LYS HD2 1.0 . 3.88 1483 1052 A 64 LYS HB3 A 64 LYS HE2 1.0 . 4.75 1484 1052 A 64 LYS HB2 A 64 LYS HE2 1.0 . 4.75 1485 1052 A 64 LYS HE3 A 64 LYS HB2 1.0 . 4.75 1486 1052 A 64 LYS HB3 A 64 LYS HE3 1.0 . 4.75 1487 1053 A 65 ALA H A 64 LYS HB2 1.0 . 3.73 1488 1053 A 65 ALA H A 64 LYS HB3 1.0 . 3.73 1489 1054 A 65 ALA H A 64 LYS HD2 1.0 . 4.70 1490 1054 A 65 ALA H A 64 LYS HD3 1.0 . 4.70 1491 1055 A 65 ALA H A 64 LYS HGx 1.0 . 4.58 1492 1055 A 65 ALA H A 64 LYS HGy 1.0 . 4.58 1493 1056 A 65 ALA H A 65 ALA HB% 1.0 . 3.26 1494 1057 A 65 ALA H A 66 LEU H 1.0 . 3.04 1495 1058 A 65 ALA HA A 67 ASN H 1.0 . 4.17 1496 1059 A 65 ALA HA A 68 LYS H 1.0 . 3.78 1497 1060 A 65 ALA HA A 68 LYS HBy 1.0 . 5.31 1498 1060 A 65 ALA HA A 68 LYS HBx 1.0 . 5.31 1499 1061 B 206 ILE HG2% A 65 ALA HB% 1.0 . 3.60 1500 1062 A 65 ALA HB% A 66 LEU H 1.0 . 3.77 1501 1063 A 66 LEU HA A 65 ALA HB% 1.0 . 4.98 1502 1064 A 66 LEU HBy A 65 ALA HB% 1.0 . 5.38 1503 1065 A 66 LEU HG A 65 ALA HB% 1.0 . 4.62 1504 1066 A 66 LEU HBy A 66 LEU H 1.0 . 3.26 1505 1067 A 66 LEU HG A 66 LEU H 1.0 . 3.40 1506 1068 A 66 LEU H A 66 LEU HD1% 1.0 . 3.94 1507 1068 A 66 LEU H A 66 LEU HD2% 1.0 . 3.94 1508 1069 A 66 LEU H A 67 ASN H 1.0 . 3.05 1509 1070 A 66 LEU HA A 66 LEU HG 1.0 . 4.15 1510 1071 A 66 LEU HA A 66 LEU HD1% 1.0 . 3.31 1511 1071 A 66 LEU HA A 66 LEU HD2% 1.0 . 3.31 1512 1072 A 66 LEU HA A 68 LYS H 1.0 . 5.22 1513 1073 A 66 LEU HG A 66 LEU HBy 1.0 . 2.83 1514 1074 A 66 LEU HBy A 66 LEU HD1% 1.0 . 3.44 1515 1074 A 66 LEU HBy A 66 LEU HD2% 1.0 . 3.44 1516 1075 A 66 LEU HBy A 67 ASN H 1.0 . 4.50 1517 1076 A 67 ASN H A 66 LEU HD1% 1.0 . 4.97 1518 1076 A 66 LEU HD2% A 67 ASN H 1.0 . 4.97 1519 1077 A 67 ASN H A 67 ASN HBx 1.0 . 3.70 1520 1077 A 67 ASN HBy A 67 ASN H 1.0 . 3.70 1521 1078 A 67 ASN H A 68 LYS H 1.0 . 4.35 1522 1079 A 67 ASN HBy A 68 LYS H 1.0 . 5.08 1523 1080 A 68 LYS H A 67 ASN HBx 1.0 . 4.44 1524 1080 A 67 ASN HBy A 68 LYS H 1.0 . 4.44 1525 1081 B 207 TYR HA A 68 LYS H 1.0 . 3.63 1526 1082 A 68 LYS H A 68 LYS HBy 1.0 . 3.53 1527 1082 A 68 LYS H A 68 LYS HBx 1.0 . 3.53 1528 1083 A 68 LYS H A 68 LYS HG2 1.0 . 4.56 1529 1083 A 68 LYS H A 68 LYS HG3 1.0 . 4.56 1530 1084 A 68 LYS HA A 68 LYS HD2 1.0 . 5.18 1531 1084 A 68 LYS HA A 68 LYS HD3 1.0 . 5.18 1532 1085 A 68 LYS HD3 A 68 LYS HBy 1.0 . 3.06 1533 1085 A 68 LYS HBy A 68 LYS HD2 1.0 . 3.06 1534 1086 A 68 LYS HBy A 68 LYS HD2 1.0 . 2.32 1535 1086 A 68 LYS HBx A 68 LYS HD2 1.0 . 2.32 1536 1086 A 68 LYS HD3 A 68 LYS HBy 1.0 . 2.32 1537 1086 A 68 LYS HBx A 68 LYS HD3 1.0 . 2.32 1538 1087 A 68 LYS HBx A 68 LYS HE2 1.0 . 4.32 1539 1087 A 68 LYS HBy A 68 LYS HE2 1.0 . 4.32 1540 1087 A 68 LYS HE3 A 68 LYS HBy 1.0 . 4.32 1541 1087 A 68 LYS HBx A 68 LYS HE3 1.0 . 4.32 1542 1088 B 202 GLU H B 202 GLU HG2 1.0 . 4.12 1543 1088 B 202 GLU H B 202 GLU HG3 1.0 . 4.12 1544 1089 B 202 GLU H B 203 GLY H 1.0 . 2.64 1545 1090 B 203 GLY H B 202 GLU HG2 1.0 . 5.18 1546 1090 B 202 GLU HG3 B 203 GLY H 1.0 . 5.18 1547 1091 B 203 GLY H B 204 ILE H 1.0 . 5.50 1548 1092 B 204 ILE HA B 203 GLY HA2 1.0 . 5.50 1549 1092 B 204 ILE HA B 203 GLY HA3 1.0 . 5.50 1550 1093 B 204 ILE HG2% B 203 GLY HA2 1.0 . 5.50 1551 1093 B 204 ILE HG2% B 203 GLY HA3 1.0 . 5.50 1552 1094 B 204 ILE HG1x B 204 ILE H 1.0 . 5.08 1553 1095 B 204 ILE HD1% B 204 ILE H 1.0 . 5.50 1554 1096 B 204 ILE HG2% B 204 ILE H 1.0 . 4.92 1555 1097 B 204 ILE H B 205 SER H 1.0 . 5.31 1556 1098 B 204 ILE HD1% B 204 ILE HA 1.0 . 5.43 1557 1099 B 204 ILE HA B 205 SER HB3 1.0 . 5.50 1558 1099 B 204 ILE HA B 205 SER HB2 1.0 . 5.50 1559 1100 B 204 ILE HB B 205 SER H 1.0 . 5.50 1560 1101 B 204 ILE HD1% B 204 ILE HG2% 1.0 . 2.76 1561 1102 B 204 ILE HG2% B 205 SER H 1.0 . 5.50 1562 1103 B 205 SER HA B 204 ILE HG2% 1.0 . 5.50 1563 1104 B 204 ILE HG2% B 205 SER HB3 1.0 . 5.50 1564 1104 B 204 ILE HG2% B 205 SER HB2 1.0 . 5.50 1565 1105 B 205 SER HA B 206 ILE HG2% 1.0 . 5.50 1566 1106 B 206 ILE H B 205 SER HB3 1.0 . 5.19 1567 1106 B 205 SER HB2 B 206 ILE H 1.0 . 5.19 1568 1107 B 206 ILE HG1y B 206 ILE H 1.0 . 5.34 1569 1108 B 206 ILE HD1% B 206 ILE H 1.0 . 5.50 1570 1109 B 206 ILE HG2% B 206 ILE H 1.0 . 4.97 1571 1110 B 206 ILE H B 207 TYR H 1.0 . 5.50 1572 1111 B 206 ILE HD1% B 206 ILE HA 1.0 . 5.50 1573 1112 B 206 ILE HB B 207 TYR H 1.0 . 5.50 1574 1113 B 206 ILE HD1% B 207 TYR H 1.0 . 5.50 1575 1114 B 206 ILE HD1% B 206 ILE HG2% 1.0 . 2.71 1576 1115 B 206 ILE HG2% B 207 TYR H 1.0 . 5.50 1577 1116 B 206 ILE HG2% B 207 TYR HD% 1.0 . 5.50 1578 1117 B 206 ILE HG2% B 207 TYR HE% 1.0 . 5.50 1579 1118 B 207 TYR HD% B 207 TYR H 1.0 . 5.50 1580 1119 B 207 TYR HE% B 207 TYR H 1.0 . 5.50 1581 1120 B 207 TYR HA B 207 TYR HD% 1.0 . 3.91 1582 1121 B 207 TYR HBx B 208 THR H 1.0 . 5.50 1583 1122 B 207 TYR HD% B 208 THR H 1.0 . 4.41 1584 1123 B 207 TYR HD% B 209 SER H 1.0 . 5.50 1585 1124 B 207 TYR HE% B 208 THR H 1.0 . 5.50 1586 1125 B 207 TYR HE% B 209 SER H 1.0 . 5.50 1587 1126 B 208 THR H B 208 THR HG2% 1.0 . 5.50 1588 1127 B 208 THR H B 209 SER H 1.0 . 5.50 1589 1128 B 208 THR HB B 209 SER H 1.0 . 5.50 1590 1129 B 208 THR HG2% B 209 SER H 1.0 . 5.50 1591 1130 B 209 SER H B 210 ASP H 1.0 . 5.02 1592 1131 B 209 SER HBx B 210 ASP H 1.0 . 5.50 1593 1132 B 209 SER HBx B 212 TYR HE% 1.0 . 5.50 1594 1133 B 210 ASP H B 211 ASN H 1.0 . 5.02 1595 1134 B 211 ASN H B 210 ASP HBy 1.0 . 4.47 1596 1134 B 211 ASN H B 210 ASP HBx 1.0 . 4.47 1597 1135 B 212 TYR H B 211 ASN H 1.0 . 4.90 1598 1136 B 212 TYR H B 211 ASN HB2 1.0 . 5.27 1599 1136 B 211 ASN HB3 B 212 TYR H 1.0 . 5.27 1600 1137 B 212 TYR H B 212 TYR HB2 1.0 . 4.00 1601 1137 B 212 TYR H B 212 TYR HB3 1.0 . 4.00 1602 1138 B 212 TYR H B 212 TYR HD% 1.0 . 5.13 1603 1139 B 212 TYR H B 212 TYR HE% 1.0 . 4.95 1604 1140 B 212 TYR H B 213 THR H 1.0 . 4.97 1605 1141 B 213 THR H B 212 TYR HB2 1.0 . 4.77 1606 1141 B 212 TYR HB3 B 213 THR H 1.0 . 4.77 1607 1142 B 213 THR HG2% B 212 TYR HB2 1.0 . 5.50 1608 1142 B 212 TYR HB3 B 213 THR HG2% 1.0 . 5.50 1609 1143 B 214 GLU H B 212 TYR HB2 1.0 . 5.50 1610 1143 B 212 TYR HB3 B 214 GLU H 1.0 . 5.50 1611 1144 B 212 TYR HD% B 213 THR H 1.0 . 5.50 1612 1145 B 212 TYR HD% B 214 GLU HB2 1.0 . 4.73 1613 1145 B 212 TYR HD% B 214 GLU HB3 1.0 . 4.73 1614 1146 B 212 TYR HD% B 215 GLU H 1.0 . 5.18 1615 1147 B 212 TYR HE% B 213 THR H 1.0 . 5.50 1616 1148 B 212 TYR HE% B 215 GLU HB2 1.0 . 4.15 1617 1148 B 212 TYR HE% B 215 GLU HB3 1.0 . 4.15 1618 1149 B 213 THR H B 213 THR HG2% 1.0 . 4.76 1619 1150 B 213 THR H B 214 GLU H 1.0 . 4.95 1620 1151 B 213 THR HB B 214 GLU H 1.0 . 4.24 1621 1152 B 213 THR HB B 215 GLU H 1.0 . 5.50 1622 1153 B 213 THR HG2% B 214 GLU H 1.0 . 5.02 1623 1154 B 213 THR HG2% B 215 GLU H 1.0 . 5.50 1624 1155 B 214 GLU H B 214 GLU HB2 1.0 . 4.14 1625 1155 B 214 GLU H B 214 GLU HB3 1.0 . 4.14 1626 1156 B 214 GLU H B 214 GLU HG2 1.0 . 4.50 1627 1156 B 214 GLU H B 214 GLU HG3 1.0 . 4.50 1628 1157 B 214 GLU H B 215 GLU H 1.0 . 4.51 1629 1158 B 214 GLU HA B 215 GLU H 1.0 . 3.47 1630 1159 B 215 GLU H B 214 GLU HB2 1.0 . 3.80 1631 1159 B 214 GLU HB3 B 215 GLU H 1.0 . 3.80 1632 1160 B 215 GLU H B 214 GLU HG2 1.0 . 4.13 1633 1160 B 215 GLU H B 214 GLU HG3 1.0 . 4.13 1634 1161 B 215 GLU H B 215 GLU HB2 1.0 . 3.95 1635 1161 B 215 GLU HB3 B 215 GLU H 1.0 . 3.95 1636 1162 B 215 GLU H B 215 GLU HG2 1.0 . 5.50 1637 1162 B 215 GLU H B 215 GLU HG3 1.0 . 5.50 1638 1163 B 216 MET H B 215 GLU HB2 1.0 . 4.20 1639 1163 B 215 GLU HB3 B 216 MET H 1.0 . 4.20 1640 1164 B 216 MET H B 216 MET HG2 1.0 . 5.07 1641 1164 B 216 MET H B 216 MET HG3 1.0 . 5.07 1642 1165 B 216 MET H B 217 GLY H 1.0 . 3.20 1643 1166 B 216 MET HBx B 217 GLY H 1.0 . 5.36 1644 1167 B 217 GLY H B 216 MET HG2 1.0 . 5.50 1645 1167 B 216 MET HG3 B 217 GLY H 1.0 . 5.50 1646 1168 B 219 GLY H B 218 SER HB3 1.0 . 5.36 1647 1168 B 218 SER HB2 B 219 GLY H 1.0 . 5.36 1648 1169 B 219 GLY H B 220 ASP H 1.0 . 5.49 1649 1170 B 221 TYR HD% B 219 GLY HA2 1.0 . 4.66 1650 1170 B 221 TYR HD% B 219 GLY HA3 1.0 . 4.66 1651 1171 B 221 TYR HE% B 219 GLY HA2 1.0 . 4.46 1652 1171 B 221 TYR HE% B 219 GLY HA3 1.0 . 4.46 1653 1172 B 220 ASP H B 221 TYR H 1.0 . 2.67 1654 1173 B 221 TYR HD% B 220 ASP H 1.0 . 5.50 1655 1174 B 221 TYR HE% B 220 ASP H 1.0 . 5.02 1656 1175 B 221 TYR H B 220 ASP HBx 1.0 . 5.50 1657 1176 B 221 TYR HD% B 220 ASP HBx 1.0 . 5.50 1658 1177 B 221 TYR HD% B 220 ASP HBy 1.0 . 4.72 1659 1177 B 221 TYR HD% B 220 ASP HBx 1.0 . 4.72 1660 1178 B 221 TYR HD% B 221 TYR H 1.0 . 4.36 1661 1179 B 221 TYR HE% B 221 TYR H 1.0 . 5.50 1662 1180 B 221 TYR H B 222 ASP H 1.0 . 4.46 1663 1181 B 221 TYR HA B 221 TYR HD% 1.0 . 3.58 1664 1182 B 221 TYR HBy B 222 ASP H 1.0 . 4.96 1665 1183 B 221 TYR HD% B 222 ASP H 1.0 . 5.50 1666 1184 B 221 TYR HD% B 223 SER H 1.0 . 5.50 1667 1185 B 222 ASP H B 223 SER H 1.0 . 3.69 1668 1186 B 223 SER HA B 222 ASP H 1.0 . 5.50 1669 1187 B 222 ASP H B 223 SER HBx 1.0 . 5.34 1670 1187 B 222 ASP H B 223 SER HBy 1.0 . 5.34 1671 1188 B 222 ASP HA B 224 MET H 1.0 . 5.50 1672 1189 B 222 ASP HBx B 223 SER H 1.0 . 5.50 1673 1190 B 223 SER H B 224 MET H 1.0 . 4.41 1674 1191 B 224 MET H B 224 MET HGx 1.0 . 5.24 1675 1192 B 224 MET H B 224 MET HGx 1.0 . 4.57 1676 1192 B 224 MET HGy B 224 MET H 1.0 . 4.57 1677 1193 B 225 LYS H B 224 MET H 1.0 . 4.29 1678 1194 B 224 MET HA B 226 GLU H 1.0 . 5.26 1679 1195 B 224 MET HBx B 225 LYS H 1.0 . 5.06 1680 1196 B 225 LYS H B 224 MET HGx 1.0 . 5.50 1681 1197 B 225 LYS H B 225 LYS HD2 1.0 . 5.50 1682 1197 B 225 LYS H B 225 LYS HD3 1.0 . 5.50 1683 1198 B 225 LYS H B 225 LYS HG2 1.0 . 4.88 1684 1198 B 225 LYS H B 225 LYS HG3 1.0 . 4.88 1685 1199 B 225 LYS H B 226 GLU H 1.0 . 4.29 1686 1200 B 225 LYS HA B 225 LYS HD2 1.0 . 5.50 1687 1200 B 225 LYS HA B 225 LYS HD3 1.0 . 5.50 1688 1201 B 225 LYS HE3 B 225 LYS HBx 1.0 . 5.50 1689 1201 B 225 LYS HBx B 225 LYS HE2 1.0 . 5.50 1690 1202 B 226 GLU H B 225 LYS HBx 1.0 . 5.10 1691 1203 B 225 LYS HBx B 225 LYS HD2 1.0 . 3.25 1692 1203 B 225 LYS HBy B 225 LYS HD2 1.0 . 3.25 1693 1203 B 225 LYS HD3 B 225 LYS HBx 1.0 . 3.25 1694 1203 B 225 LYS HD3 B 225 LYS HBy 1.0 . 3.25 1695 1204 B 226 GLU H B 225 LYS HBx 1.0 . 4.43 1696 1204 B 226 GLU H B 225 LYS HBy 1.0 . 4.43 1697 1205 B 226 GLU H B 225 LYS HD2 1.0 . 5.50 1698 1205 B 226 GLU H B 225 LYS HD3 1.0 . 5.50 1699 1206 B 226 GLU H B 225 LYS HG2 1.0 . 5.50 1700 1206 B 226 GLU H B 225 LYS HG3 1.0 . 5.50 1701 1207 B 226 GLU H B 226 GLU HBx 1.0 . 3.65 1702 1207 B 226 GLU HBy B 226 GLU H 1.0 . 3.65 1703 1208 B 227 PRO HDy B 226 GLU H 1.0 . 5.50 1704 1209 B 226 GLU HA B 227 PRO HG2 1.0 . 5.50 1705 1209 B 226 GLU HA B 227 PRO HG3 1.0 . 5.50 1706 1210 B 227 PRO HDy B 226 GLU HBx 1.0 . 5.50 1707 1211 B 227 PRO HDy B 226 GLU HBx 1.0 . 4.71 1708 1211 B 227 PRO HDy B 226 GLU HBy 1.0 . 4.71 1709 1212 B 227 PRO HA B 228 ALA HB% 1.0 . 5.50 1710 1213 B 227 PRO HA B 229 PHE H 1.0 . 5.50 1711 1214 B 227 PRO HBy B 228 ALA HB% 1.0 . 5.50 1712 1215 B 227 PRO HDy B 228 ALA H 1.0 . 5.50 1713 1216 B 228 ALA H B 227 PRO HG2 1.0 . 5.34 1714 1216 B 228 ALA H B 227 PRO HG3 1.0 . 5.34 1715 1217 B 229 PHE H B 227 PRO HG2 1.0 . 5.50 1716 1217 B 227 PRO HG3 B 229 PHE H 1.0 . 5.50 1717 1218 B 228 ALA H B 228 ALA HB% 1.0 . 3.99 1718 1219 B 228 ALA H B 229 PHE H 1.0 . 4.76 1719 1220 B 228 ALA HB% B 229 PHE H 1.0 . 4.73 1720 1221 B 228 ALA HB% B 229 PHE HD% 1.0 . 5.50 1721 1222 B 229 PHE H B 229 PHE HB2 1.0 . 3.68 1722 1222 B 229 PHE H B 229 PHE HBy 1.0 . 3.68 1723 1223 B 229 PHE H B 229 PHE HD% 1.0 . 5.23 1724 1224 B 229 PHE H B 230 ARG H 1.0 . 2.75 1725 1225 B 229 PHE HA B 229 PHE HD% 1.0 . 4.30 1726 1226 B 229 PHE HA B 229 PHE HE% 1.0 . 5.50 1727 1227 B 229 PHE HA B 231 GLU H 1.0 . 5.50 1728 1228 B 231 GLU H B 229 PHE HB2 1.0 . 5.34 1729 1228 B 229 PHE HBy B 231 GLU H 1.0 . 5.34 1730 1229 B 234 ALA HA B 229 PHE HB2 1.0 . 5.34 1731 1229 B 234 ALA HA B 229 PHE HBy 1.0 . 5.34 1732 1230 B 229 PHE HD% B 230 ARG H 1.0 . 5.50 1733 1231 B 230 ARG HA B 229 PHE HD% 1.0 . 4.98 1734 1232 B 229 PHE HD% B 231 GLU HB2 1.0 . 4.97 1735 1232 B 229 PHE HD% B 231 GLU HB3 1.0 . 4.97 1736 1233 B 229 PHE HD% B 231 GLU HG2 1.0 . 5.10 1737 1233 B 229 PHE HD% B 231 GLU HG3 1.0 . 5.10 1738 1234 B 229 PHE HD% B 232 GLU HB2 1.0 . 5.50 1739 1234 B 229 PHE HD% B 232 GLU HB3 1.0 . 5.50 1740 1235 B 230 ARG H B 229 PHE HE% 1.0 . 5.50 1741 1236 B 230 ARG H B 230 ARG HG2 1.0 . 4.75 1742 1236 B 230 ARG H B 230 ARG HG3 1.0 . 4.75 1743 1237 B 230 ARG H B 231 GLU H 1.0 . 5.39 1744 1238 B 230 ARG HA B 230 ARG HD2 1.0 . 5.50 1745 1238 B 230 ARG HA B 230 ARG HD3 1.0 . 5.50 1746 1239 B 230 ARG HA B 231 GLU HG2 1.0 . 5.50 1747 1239 B 230 ARG HA B 231 GLU HG3 1.0 . 5.50 1748 1240 B 230 ARG HBy B 231 GLU H 1.0 . 5.36 1749 1241 B 231 GLU H B 230 ARG HG2 1.0 . 5.44 1750 1241 B 231 GLU H B 230 ARG HG3 1.0 . 5.44 1751 1242 B 231 GLU H B 231 GLU HG2 1.0 . 5.02 1752 1242 B 231 GLU H B 231 GLU HG3 1.0 . 5.02 1753 1243 B 231 GLU H B 232 GLU H 1.0 . 5.50 1754 1244 B 232 GLU H B 231 GLU HB2 1.0 . 4.50 1755 1244 B 231 GLU HB3 B 232 GLU H 1.0 . 4.50 1756 1245 B 232 GLU H B 231 GLU HG2 1.0 . 5.50 1757 1245 B 231 GLU HG3 B 232 GLU H 1.0 . 5.50 1758 1246 B 232 GLU H B 232 GLU HG2 1.0 . 4.71 1759 1246 B 232 GLU H B 232 GLU HG3 1.0 . 4.71 1760 1247 B 232 GLU H B 233 ASN H 1.0 . 4.44 1761 1248 B 233 ASN H B 232 GLU HB2 1.0 . 5.50 1762 1248 B 232 GLU HB3 B 233 ASN H 1.0 . 5.50 1763 1249 B 233 ASN H B 232 GLU HG2 1.0 . 5.50 1764 1249 B 232 GLU HG3 B 233 ASN H 1.0 . 5.50 1765 1250 B 233 ASN HA B 234 ALA HB% 1.0 . 5.50 1766 1251 B 234 ALA H B 233 ASN HB2 1.0 . 5.50 1767 1251 B 233 ASN HB3 B 234 ALA H 1.0 . 5.50 1768 1252 B 234 ALA HB% B 235 ASN H 1.0 . 5.50 1769 1253 B 235 ASN HBx B 236 PHE H 1.0 . 5.50 1770 1254 B 236 PHE H B 236 PHE HD% 1.0 . 5.26 1771 1255 B 237 ASN HBx B 238 LYS H 1.0 . 5.50 1772 1256 B 238 LYS H B 238 LYS HG2 1.0 . 5.33 1773 1256 B 238 LYS H B 238 LYS HG3 1.0 . 5.33 1774 1257 B 238 LYS HA B 238 LYS HE2 1.0 . 5.50 1775 1257 B 238 LYS HA B 238 LYS HE3 1.0 . 5.50 1776 1258 B 238 LYS HE3 B 238 LYS HBx 1.0 . 5.50 1777 1258 B 238 LYS HBx B 238 LYS HE2 1.0 . 5.50 1778 1259 B 238 LYS HBy B 238 LYS HD2 1.0 . 2.46 1779 1259 B 238 LYS HBx B 238 LYS HD2 1.0 . 2.46 1780 1259 B 238 LYS HD3 B 238 LYS HBx 1.0 . 2.46 1781 1259 B 238 LYS HBy B 238 LYS HD3 1.0 . 2.46 1782 1260 B 238 LYS HBx B 238 LYS HE2 1.0 . 4.66 1783 1260 B 238 LYS HBy B 238 LYS HE2 1.0 . 4.66 1784 1260 B 238 LYS HE3 B 238 LYS HBx 1.0 . 4.66 1785 1260 B 238 LYS HE3 B 238 LYS HBy 1.0 . 4.66 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 8 ARG C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -121.9 -65.7 PHI 2 2 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 PRO N 1.0 113.7 169.0 PSI 3 3 A 10 PRO N A 10 PRO CA A 10 PRO C A 11 CYS N 1.0 -38.3 -17.6 PSI 4 4 A 11 CYS C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -99.0 -71.2 PHI 5 5 A 12 ARG C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -122.8 -87.5 PHI 6 6 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 PHE N 1.0 140.0 161.5 PSI 7 7 A 13 PHE C A 14 PHE N A 14 PHE CA A 14 PHE C 1.0 -136.0 -106.1 PHI 8 8 A 14 PHE N A 14 PHE CA A 14 PHE C A 15 GLU N 1.0 117.6 158.7 PSI 9 9 A 14 PHE C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -129.9 -80.7 PHI 10 10 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 SER N 1.0 111.8 149.9 PSI 11 11 A 17 HIS C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -123.5 -86.2 PHI 12 12 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 ALA N 1.0 118.1 139.4 PSI 13 13 A 18 VAL C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -107.5 -67.0 PHI 14 14 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 ARG N 1.0 89.4 134.3 PSI 15 15 A 19 ALA C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -69.4 -49.4 PHI 16 16 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 ALA N 1.0 -42.2 -19.1 PSI 17 17 A 20 ARG C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -82.8 -59.8 PHI 18 18 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 ASN N 1.0 -39.0 -6.9 PSI 19 19 A 21 ALA C A 22 ASN N A 22 ASN CA A 22 ASN C 1.0 -102.6 -82.6 PHI 20 20 A 22 ASN N A 22 ASN CA A 22 ASN C A 23 VAL N 1.0 -27.2 12.0 PSI 21 21 A 22 ASN C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -149.1 -87.8 PHI 22 22 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 LYS N 1.0 117.2 156.7 PSI 23 23 A 23 VAL C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -129.7 -82.1 PHI 24 24 A 25 HIS N A 25 HIS CA A 25 HIS C A 26 LEU N 1.0 135.2 163.0 PSI 25 25 A 25 HIS C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -137.3 -105.2 PHI 26 26 A 26 LEU C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -148.1 -117.1 PHI 27 27 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 ILE N 1.0 131.6 151.6 PSI 28 28 A 27 LYS C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -124.9 -101.8 PHI 29 29 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 LEU N 1.0 110.8 130.8 PSI 30 30 A 28 ILE C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -116.3 -92.3 PHI 31 31 A 29 LEU C A 30 ASN N A 30 ASN CA A 30 ASN C 1.0 -113.7 -79.2 PHI 32 32 A 30 ASN C A 31 THR N A 31 THR CA A 31 THR C 1.0 -103.2 -53.8 PHI 33 33 A 31 THR N A 31 THR CA A 31 THR C A 32 PRO N 1.0 102.7 145.8 PSI 34 34 A 32 PRO N A 32 PRO CA A 32 PRO C A 33 ASN N 1.0 -42.4 -17.5 PSI 35 35 A 32 PRO C A 33 ASN N A 33 ASN CA A 33 ASN C 1.0 -84.5 -61.9 PHI 36 36 A 33 ASN N A 33 ASN CA A 33 ASN C A 34 CYS N 1.0 -44.4 -4.3 PSI 37 37 A 34 CYS C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -151.2 -23.1 PHI 38 38 A 35 ALA C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -111.3 -59.6 PHI 39 39 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 GLN N 1.0 116.1 147.6 PSI 40 40 A 36 LEU C A 37 GLN N A 37 GLN CA A 37 GLN C 1.0 -140.4 -115.2 PHI 41 41 A 37 GLN N A 37 GLN CA A 37 GLN C A 38 ILE N 1.0 132.2 154.6 PSI 42 42 A 37 GLN C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -129.8 -93.5 PHI 43 43 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 VAL N 1.0 113.1 137.3 PSI 44 44 A 38 ILE C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -129.8 -104.7 PHI 45 45 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 ALA N 1.0 118.1 140.3 PSI 46 46 A 39 VAL C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -136.8 -116.8 PHI 47 47 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 ARG N 1.0 129.6 154.5 PSI 48 48 A 40 ALA C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -137.6 -97.0 PHI 49 49 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 LEU N 1.0 118.8 153.5 PSI 50 50 A 41 ARG C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -93.2 -68.6 PHI 51 51 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 LYS N 1.0 138.4 179.2 PSI 52 52 A 42 LEU C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -69.4 -49.4 PHI 53 53 A 43 LYS C A 44 ASN N A 44 ASN CA A 44 ASN C 1.0 -78.0 -57.3 PHI 54 54 A 44 ASN N A 44 ASN CA A 44 ASN C A 45 ASN N 1.0 -37.4 -11.4 PSI 55 55 A 44 ASN C A 45 ASN N A 45 ASN CA A 45 ASN C 1.0 -94.0 -72.7 PHI 56 56 A 45 ASN N A 45 ASN CA A 45 ASN C A 46 ASN N 1.0 -38.4 1.9 PSI 57 57 A 46 ASN C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -139.9 -18.9 PHI 58 58 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 GLN N 1.0 106.0 154.8 PSI 59 59 A 47 ARG C A 48 GLN N A 48 GLN CA A 48 GLN C 1.0 -127.9 -92.3 PHI 60 60 A 48 GLN N A 48 GLN CA A 48 GLN C A 49 VAL N 1.0 123.5 156.3 PSI 61 61 A 48 GLN C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -145.7 -125.7 PHI 62 62 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 CYS N 1.0 148.9 168.9 PSI 63 63 A 49 VAL C A 50 CYS N A 50 CYS CA A 50 CYS C 1.0 -127.4 -89.9 PHI 64 64 A 50 CYS N A 50 CYS CA A 50 CYS C A 51 ILE N 1.0 119.4 139.4 PSI 65 65 A 50 CYS C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -138.5 -89.3 PHI 66 66 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 ASP N 1.0 118.6 147.9 PSI 67 67 A 51 ILE C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -101.4 -63.0 PHI 68 68 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 PRO N 1.0 103.7 146.4 PSI 69 69 A 53 PRO C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -100.2 -63.1 PHI 70 70 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 CYS N 1.0 -34.7 13.9 PSI 71 71 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 TRP N 1.0 -46.7 -24.4 PSI 72 72 A 56 LYS C A 57 TRP N A 57 TRP CA A 57 TRP C 1.0 -101.8 -65.2 PHI 73 73 A 57 TRP N A 57 TRP CA A 57 TRP C A 58 CYS N 1.0 -41.9 4.2 PSI 74 74 A 57 TRP C A 58 CYS N A 58 CYS CA A 58 CYS C 1.0 -73.5 -53.5 PHI 75 75 A 58 CYS N A 58 CYS CA A 58 CYS C A 59 GLN N 1.0 -52.0 -32.0 PSI 76 76 A 58 CYS C A 59 GLN N A 59 GLN CA A 59 GLN C 1.0 -73.0 -53.0 PHI 77 77 A 59 GLN N A 59 GLN CA A 59 GLN C A 60 GLU N 1.0 -51.6 -31.6 PSI 78 78 A 59 GLN C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -74.4 -54.4 PHI 79 79 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 TYR N 1.0 -52.0 -32.0 PSI 80 80 A 60 GLU C A 61 TYR N A 61 TYR CA A 61 TYR C 1.0 -75.7 -55.7 PHI 81 81 A 61 TYR N A 61 TYR CA A 61 TYR C A 62 LEU N 1.0 -49.2 -29.2 PSI 82 82 A 61 TYR C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -74.1 -54.1 PHI 83 83 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 GLU N 1.0 -49.7 -29.7 PSI 84 84 A 62 LEU C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -75.5 -55.5 PHI 85 85 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 LYS N 1.0 -48.6 -28.6 PSI 86 86 A 63 GLU C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 -75.5 -55.5 PHI 87 87 A 64 LYS N A 64 LYS CA A 64 LYS C A 65 ALA N 1.0 -50.3 -20.9 PSI 88 88 A 64 LYS C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -77.9 -57.9 PHI 89 89 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 LEU N 1.0 -46.7 -25.0 PSI 90 90 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 ASN N 1.0 -40.8 6.7 PSI 91 91 A 66 LEU C A 67 ASN N A 67 ASN CA A 67 ASN C 1.0 -139.1 -54.8 PHI 92 92 B 206 ILE C B 207 TYR N B 207 TYR CA B 207 TYR C 1.0 -168.8 -38.4 PHI 93 93 B 207 TYR N B 207 TYR CA B 207 TYR C B 208 THR N 1.0 116.1 157.9 PSI 94 94 B 207 TYR C B 208 THR N B 208 THR CA B 208 THR C 1.0 -147.5 -84.9 PHI 95 95 B 208 THR N B 208 THR CA B 208 THR C B 209 SER N 1.0 118.7 157.4 PSI 96 96 B 209 SER C B 210 ASP N B 210 ASP CA B 210 ASP C 1.0 -79.6 -59.6 PHI 97 97 B 210 ASP N B 210 ASP CA B 210 ASP C B 211 ASN N 1.0 -54.7 -7.7 PSI 98 98 B 213 THR C B 214 GLU N B 214 GLU CA B 214 GLU C 1.0 -78.8 -58.8 PHI 99 99 B 214 GLU N B 214 GLU CA B 214 GLU C B 215 GLU N 1.0 -47.1 -25.3 PSI 100 100 B 215 GLU C B 216 MET N B 216 MET CA B 216 MET C 1.0 -108.7 -61.1 PHI 101 101 B 216 MET N B 216 MET CA B 216 MET C B 217 GLY N 1.0 -45.5 -7.5 PSI 102 102 B 219 GLY C B 220 ASP N B 220 ASP CA B 220 ASP C 1.0 -89.9 -59.1 PHI 103 103 B 220 ASP N B 220 ASP CA B 220 ASP C B 221 TYR N 1.0 -42.8 5.6 PSI 104 104 B 220 ASP C B 221 TYR N B 221 TYR CA B 221 TYR C 1.0 -79.0 -59.0 PHI 105 105 B 221 TYR C B 222 ASP N B 222 ASP CA B 222 ASP C 1.0 -79.0 -58.2 PHI 106 106 B 222 ASP N B 222 ASP CA B 222 ASP C B 223 SER N 1.0 -44.0 -23.9 PSI 107 107 B 225 LYS C B 226 GLU N B 226 GLU CA B 226 GLU C 1.0 -99.9 -63.7 PHI 108 108 B 226 GLU N B 226 GLU CA B 226 GLU C B 227 PRO N 1.0 119.4 152.4 PSI 109 109 B 231 GLU C B 232 GLU N B 232 GLU CA B 232 GLU C 1.0 -90.1 -56.4 PHI stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 8 ARG C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -121.9 -65.7 PHI 2 2 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 PRO N 1.0 113.7 169.0 PSI 3 3 A 10 PRO N A 10 PRO CA A 10 PRO C A 11 CYS N 1.0 -38.3 -17.6 PSI 4 4 A 11 CYS C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -99.0 -71.2 PHI 5 5 A 12 ARG C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -122.8 -87.5 PHI 6 6 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 PHE N 1.0 140.0 161.5 PSI 7 7 A 13 PHE C A 14 PHE N A 14 PHE CA A 14 PHE C 1.0 -136.0 -106.1 PHI 8 8 A 14 PHE N A 14 PHE CA A 14 PHE C A 15 GLU N 1.0 117.6 158.7 PSI 9 9 A 14 PHE C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -129.9 -80.7 PHI 10 10 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 SER N 1.0 111.8 149.9 PSI 11 11 A 17 HIS C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -123.5 -86.2 PHI 12 12 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 ALA N 1.0 118.1 139.4 PSI 13 13 A 18 VAL C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -107.5 -67.0 PHI 14 14 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 ARG N 1.0 89.4 134.3 PSI 15 15 A 19 ALA C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -69.4 -49.4 PHI 16 16 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 ALA N 1.0 -42.2 -19.1 PSI 17 17 A 20 ARG C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -82.8 -59.8 PHI 18 18 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 ASN N 1.0 -39.0 -6.9 PSI 19 19 A 21 ALA C A 22 ASN N A 22 ASN CA A 22 ASN C 1.0 -102.6 -82.6 PHI 20 20 A 22 ASN N A 22 ASN CA A 22 ASN C A 23 VAL N 1.0 -27.2 12.0 PSI 21 21 A 22 ASN C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -149.1 -87.8 PHI 22 22 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 LYS N 1.0 117.2 156.7 PSI 23 23 A 23 VAL C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -129.7 -82.1 PHI 24 24 A 25 HIS N A 25 HIS CA A 25 HIS C A 26 LEU N 1.0 135.2 163.0 PSI 25 25 A 25 HIS C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -137.3 -105.2 PHI 26 26 A 26 LEU C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -148.1 -117.1 PHI 27 27 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 ILE N 1.0 131.6 151.6 PSI 28 28 A 27 LYS C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -124.9 -101.8 PHI 29 29 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 LEU N 1.0 110.8 130.8 PSI 30 30 A 28 ILE C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -116.3 -92.3 PHI 31 31 A 29 LEU C A 30 ASN N A 30 ASN CA A 30 ASN C 1.0 -113.7 -79.2 PHI 32 32 A 30 ASN C A 31 THR N A 31 THR CA A 31 THR C 1.0 -103.2 -53.8 PHI 33 33 A 31 THR N A 31 THR CA A 31 THR C A 32 PRO N 1.0 102.7 145.8 PSI 34 34 A 32 PRO N A 32 PRO CA A 32 PRO C A 33 ASN N 1.0 -42.4 -17.5 PSI 35 35 A 32 PRO C A 33 ASN N A 33 ASN CA A 33 ASN C 1.0 -84.5 -61.9 PHI 36 36 A 33 ASN N A 33 ASN CA A 33 ASN C A 34 CYS N 1.0 -44.4 -4.3 PSI 37 37 A 34 CYS C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -151.2 -23.1 PHI 38 38 A 35 ALA C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -111.3 -59.6 PHI 39 39 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 GLN N 1.0 116.1 147.6 PSI 40 40 A 36 LEU C A 37 GLN N A 37 GLN CA A 37 GLN C 1.0 -140.4 -115.2 PHI 41 41 A 37 GLN N A 37 GLN CA A 37 GLN C A 38 ILE N 1.0 132.2 154.6 PSI 42 42 A 37 GLN C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -129.8 -93.5 PHI 43 43 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 VAL N 1.0 113.1 137.3 PSI 44 44 A 38 ILE C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -129.8 -104.7 PHI 45 45 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 ALA N 1.0 118.1 140.3 PSI 46 46 A 39 VAL C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -136.8 -116.8 PHI 47 47 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 ARG N 1.0 129.6 154.5 PSI 48 48 A 40 ALA C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -137.6 -97.0 PHI 49 49 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 LEU N 1.0 118.8 153.5 PSI 50 50 A 41 ARG C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -93.2 -68.6 PHI 51 51 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 LYS N 1.0 138.4 179.2 PSI 52 52 A 42 LEU C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -69.4 -49.4 PHI 53 53 A 43 LYS C A 44 ASN N A 44 ASN CA A 44 ASN C 1.0 -78.0 -57.3 PHI 54 54 A 44 ASN N A 44 ASN CA A 44 ASN C A 45 ASN N 1.0 -37.4 -11.4 PSI 55 55 A 44 ASN C A 45 ASN N A 45 ASN CA A 45 ASN C 1.0 -94.0 -72.7 PHI 56 56 A 45 ASN N A 45 ASN CA A 45 ASN C A 46 ASN N 1.0 -38.4 1.9 PSI 57 57 A 46 ASN C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -139.9 -18.9 PHI 58 58 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 GLN N 1.0 106.0 154.8 PSI 59 59 A 47 ARG C A 48 GLN N A 48 GLN CA A 48 GLN C 1.0 -127.9 -92.3 PHI 60 60 A 48 GLN N A 48 GLN CA A 48 GLN C A 49 VAL N 1.0 123.5 156.3 PSI 61 61 A 48 GLN C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -145.7 -125.7 PHI 62 62 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 CYS N 1.0 148.9 168.9 PSI 63 63 A 49 VAL C A 50 CYS N A 50 CYS CA A 50 CYS C 1.0 -127.4 -89.9 PHI 64 64 A 50 CYS N A 50 CYS CA A 50 CYS C A 51 ILE N 1.0 119.4 139.4 PSI 65 65 A 50 CYS C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -138.5 -89.3 PHI 66 66 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 ASP N 1.0 118.6 147.9 PSI 67 67 A 51 ILE C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -101.4 -63.0 PHI 68 68 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 PRO N 1.0 103.7 146.4 PSI 69 69 A 53 PRO C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -100.2 -63.1 PHI 70 70 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 CYS N 1.0 -34.7 13.9 PSI 71 71 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 TRP N 1.0 -46.7 -24.4 PSI 72 72 A 56 LYS C A 57 TRP N A 57 TRP CA A 57 TRP C 1.0 -101.8 -65.2 PHI 73 73 A 57 TRP N A 57 TRP CA A 57 TRP C A 58 CYS N 1.0 -41.9 4.2 PSI 74 74 A 57 TRP C A 58 CYS N A 58 CYS CA A 58 CYS C 1.0 -73.5 -53.5 PHI 75 75 A 58 CYS N A 58 CYS CA A 58 CYS C A 59 GLN N 1.0 -52.0 -32.0 PSI 76 76 A 58 CYS C A 59 GLN N A 59 GLN CA A 59 GLN C 1.0 -73.0 -53.0 PHI 77 77 A 59 GLN N A 59 GLN CA A 59 GLN C A 60 GLU N 1.0 -51.6 -31.6 PSI 78 78 A 59 GLN C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -74.4 -54.4 PHI 79 79 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 TYR N 1.0 -52.0 -32.0 PSI 80 80 A 60 GLU C A 61 TYR N A 61 TYR CA A 61 TYR C 1.0 -75.7 -55.7 PHI 81 81 A 61 TYR N A 61 TYR CA A 61 TYR C A 62 LEU N 1.0 -49.2 -29.2 PSI 82 82 A 61 TYR C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -74.1 -54.1 PHI 83 83 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 GLU N 1.0 -49.7 -29.7 PSI 84 84 A 62 LEU C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -75.5 -55.5 PHI 85 85 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 LYS N 1.0 -48.6 -28.6 PSI 86 86 A 63 GLU C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 -75.5 -55.5 PHI 87 87 A 64 LYS N A 64 LYS CA A 64 LYS C A 65 ALA N 1.0 -50.3 -20.9 PSI 88 88 A 64 LYS C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -77.9 -57.9 PHI 89 89 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 LEU N 1.0 -46.7 -25.0 PSI 90 90 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 ASN N 1.0 -40.8 6.7 PSI 91 91 A 66 LEU C A 67 ASN N A 67 ASN CA A 67 ASN C 1.0 -139.1 -54.8 PHI stop_ save_