data_nef_c25663_2n40 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 2N40 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 23 CYS SG 1 92 CYS SG 1 47 CYS SG 1 68 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 2 VAL middle . . 3 A 3 TYR middle . . 4 A 4 HIS middle . . 5 A 5 ARG middle . . 6 A 6 GLU middle . . 7 A 7 ALA middle . . 8 A 8 ARG middle . . 9 A 9 SER middle . . 10 A 10 GLY middle . false 11 A 11 LYS middle . . 12 A 12 TYR middle . . 13 A 13 LYS middle . . 14 A 14 LEU middle . . 15 A 15 THR middle . . 16 A 16 TYR middle . . 17 A 17 ALA middle . . 18 A 18 GLU middle . . 19 A 19 ALA middle . . 20 A 20 LYS middle . . 21 A 21 ALA middle . . 22 A 22 VAL middle . . 23 A 23 CYS middle -HG . 24 A 24 GLU middle . . 25 A 25 PHE middle . . 26 A 26 GLU middle . . 27 A 27 GLY middle . false 28 A 28 GLY middle . false 29 A 29 HIS middle . . 30 A 30 LEU middle . . 31 A 31 ALA middle . . 32 A 32 THR middle . . 33 A 33 TYR middle . . 34 A 34 LYS middle . . 35 A 35 GLN middle . . 36 A 36 LEU middle . . 37 A 37 GLU middle . . 38 A 38 ALA middle . . 39 A 39 ALA middle . . 40 A 40 ARG middle . . 41 A 41 LYS middle . . 42 A 42 ILE middle . . 43 A 43 GLY middle . false 44 A 44 PHE middle . . 45 A 45 HIS middle . . 46 A 46 VAL middle . . 47 A 47 CYS middle -HG . 48 A 48 ALA middle . . 49 A 49 ALA middle . . 50 A 50 GLY middle . false 51 A 51 TRP middle . . 52 A 52 MET middle . . 53 A 53 ALA middle . . 54 A 54 LYS middle . . 55 A 55 GLY middle . false 56 A 56 ARG middle . . 57 A 57 VAL middle . . 58 A 58 GLY middle . false 59 A 59 TYR middle . . 60 A 60 PRO middle . false 61 A 61 ILE middle . . 62 A 62 VAL middle . . 63 A 63 LYS middle . . 64 A 64 PRO middle . false 65 A 65 GLY middle . false 66 A 66 PRO middle . false 67 A 67 ASN middle . . 68 A 68 CYS middle -HG . 69 A 69 GLY middle . false 70 A 70 PHE middle . . 71 A 71 GLY middle . false 72 A 72 LYS middle . . 73 A 73 THR middle . . 74 A 74 GLY middle . false 75 A 75 ILE middle . . 76 A 76 ILE middle . . 77 A 77 ASP middle . . 78 A 78 TYR middle . . 79 A 79 GLY middle . false 80 A 80 ILE middle . . 81 A 81 ARG middle . . 82 A 82 LEU middle . . 83 A 83 ASN middle . . 84 A 84 ARG middle . . 85 A 85 SER middle . . 86 A 86 GLU middle . . 87 A 87 ARG middle . . 88 A 88 TRP middle . . 89 A 89 ASP middle . . 90 A 90 ALA middle . . 91 A 91 TYR middle . . 92 A 92 CYS middle -HG . 93 A 93 TYR middle . . 94 A 94 ASN middle . . 95 A 95 PRO middle . false 96 A 96 HIS middle . . 97 A 97 ALA middle . . 98 A 98 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 HAx H 1 3.531 0.003 A 1 GLY HAy H 1 3.823 0.007 A 1 GLY C C 13 169.541 0.000 A 1 GLY CA C 13 43.388 0.044 A 2 VAL H H 1 8.486 0.012 A 2 VAL HA H 1 5.257 0.017 A 2 VAL HB H 1 1.323 0.025 A 2 VAL HGx% H 1 0.853 0.013 A 2 VAL HGy% H 1 0.800 0.013 A 2 VAL C C 13 174.533 0.000 A 2 VAL CA C 13 60.536 0.041 A 2 VAL CB C 13 33.278 0.060 A 2 VAL CGy C 13 23.814 0.104 A 2 VAL CGx C 13 23.109 0.088 A 2 VAL N N 15 122.742 0.057 A 3 TYR H H 1 8.715 0.012 A 3 TYR HA H 1 4.964 0.010 A 3 TYR HBy H 1 3.029 0.030 A 3 TYR HBx H 1 2.938 0.010 A 3 TYR HDx H 1 6.743 0.022 A 3 TYR HDy H 1 6.743 0.022 A 3 TYR HEx H 1 6.589 0.000 A 3 TYR HEy H 1 6.589 0.000 A 3 TYR C C 13 173.399 0.000 A 3 TYR CA C 13 56.073 0.084 A 3 TYR CB C 13 40.278 0.106 A 3 TYR N N 15 120.172 0.027 A 4 HIS H H 1 9.414 0.010 A 4 HIS HA H 1 4.929 0.008 A 4 HIS HBy H 1 3.396 0.014 A 4 HIS HBx H 1 3.350 0.008 A 4 HIS HD2 H 1 6.373 0.000 A 4 HIS HE1 H 1 8.173 0.000 A 4 HIS C C 13 172.844 0.000 A 4 HIS CA C 13 54.154 0.113 A 4 HIS CB C 13 30.961 0.075 A 4 HIS N N 15 121.237 0.139 A 5 ARG H H 1 8.805 0.023 A 5 ARG HA H 1 4.619 0.007 A 5 ARG HBx H 1 1.466 0.013 A 5 ARG HBy H 1 1.466 0.013 A 5 ARG HDy H 1 3.464 0.013 A 5 ARG HDx H 1 3.237 0.022 A 5 ARG HE H 1 8.755 0.006 A 5 ARG HGx H 1 1.426 0.010 A 5 ARG HGy H 1 1.426 0.010 A 5 ARG C C 13 172.967 0.000 A 5 ARG CA C 13 53.177 0.066 A 5 ARG CB C 13 33.832 0.169 A 5 ARG CD C 13 41.705 0.045 A 5 ARG CG C 13 27.896 0.138 A 5 ARG N N 15 128.770 0.046 A 6 GLU H H 1 8.232 0.019 A 6 GLU HA H 1 4.490 0.006 A 6 GLU HBy H 1 1.899 0.012 A 6 GLU HBx H 1 1.752 0.012 A 6 GLU HGy H 1 2.237 0.006 A 6 GLU HGx H 1 1.963 0.010 A 6 GLU C C 13 176.264 0.000 A 6 GLU CA C 13 53.336 0.071 A 6 GLU CB C 13 33.133 0.073 A 6 GLU CG C 13 34.976 0.082 A 6 GLU N N 15 121.037 0.024 A 7 ALA H H 1 8.756 0.015 A 7 ALA HA H 1 4.215 0.004 A 7 ALA HB% H 1 1.500 0.009 A 7 ALA C C 13 178.419 0.000 A 7 ALA CA C 13 52.182 0.048 A 7 ALA CB C 13 20.128 0.083 A 7 ALA N N 15 123.438 0.050 A 8 ARG H H 1 8.945 0.017 A 8 ARG HA H 1 3.998 0.006 A 8 ARG HBx H 1 1.791 0.011 A 8 ARG HBy H 1 1.803 0.000 A 8 ARG HDx H 1 3.165 0.003 A 8 ARG HDy H 1 3.168 0.000 A 8 ARG HE H 1 7.153 0.000 A 8 ARG HGy H 1 1.695 0.004 A 8 ARG HGx H 1 1.650 0.002 A 8 ARG C C 13 177.448 0.000 A 8 ARG CA C 13 58.660 0.046 A 8 ARG CB C 13 29.406 0.050 A 8 ARG CD C 13 43.016 0.063 A 8 ARG CG C 13 27.239 0.087 A 8 ARG N N 15 122.559 0.015 A 9 SER H H 1 7.445 0.008 A 9 SER HA H 1 4.261 0.007 A 9 SER HBy H 1 3.914 0.015 A 9 SER HBx H 1 3.741 0.021 A 9 SER C C 13 174.411 0.000 A 9 SER CA C 13 58.081 0.044 A 9 SER CB C 13 62.972 0.040 A 9 SER N N 15 107.309 0.014 A 10 GLY H H 1 7.379 0.005 A 10 GLY HAx H 1 3.615 0.003 A 10 GLY HAy H 1 4.513 0.003 A 10 GLY C C 13 171.580 0.000 A 10 GLY CA C 13 44.036 0.070 A 10 GLY N N 15 109.574 0.011 A 11 LYS H H 1 8.040 0.005 A 11 LYS HA H 1 3.993 0.006 A 11 LYS HBy H 1 1.548 0.008 A 11 LYS HBx H 1 1.381 0.020 A 11 LYS HDy H 1 1.298 0.039 A 11 LYS HDx H 1 1.200 0.004 A 11 LYS HEx H 1 2.136 0.005 A 11 LYS HEy H 1 2.136 0.005 A 11 LYS HGy H 1 1.047 0.008 A 11 LYS HGx H 1 0.155 0.008 A 11 LYS C C 13 175.995 0.000 A 11 LYS CA C 13 57.374 0.031 A 11 LYS CB C 13 34.009 0.103 A 11 LYS CD C 13 30.399 0.067 A 11 LYS CE C 13 41.779 0.024 A 11 LYS CG C 13 24.904 0.071 A 11 LYS N N 15 121.683 0.020 A 12 TYR H H 1 9.830 0.009 A 12 TYR HA H 1 3.990 0.004 A 12 TYR HBy H 1 3.273 0.012 A 12 TYR HBx H 1 3.100 0.011 A 12 TYR HDx H 1 7.233 0.018 A 12 TYR HDy H 1 7.233 0.018 A 12 TYR HEx H 1 7.352 0.000 A 12 TYR HEy H 1 7.352 0.000 A 12 TYR C C 13 173.905 0.000 A 12 TYR CA C 13 54.397 0.029 A 12 TYR CB C 13 32.105 0.047 A 12 TYR N N 15 122.956 0.037 A 13 LYS H H 1 8.445 0.007 A 13 LYS HA H 1 4.577 0.018 A 13 LYS HBy H 1 1.875 0.013 A 13 LYS HBx H 1 1.449 0.016 A 13 LYS HDy H 1 1.494 0.009 A 13 LYS HDx H 1 1.247 0.013 A 13 LYS HEy H 1 2.873 0.050 A 13 LYS HEx H 1 2.811 0.010 A 13 LYS HGy H 1 1.013 0.011 A 13 LYS HGx H 1 0.968 0.013 A 13 LYS C C 13 176.999 0.000 A 13 LYS CA C 13 55.014 0.083 A 13 LYS CB C 13 35.021 0.061 A 13 LYS CD C 13 28.187 0.079 A 13 LYS CE C 13 42.486 0.041 A 13 LYS CG C 13 24.014 0.073 A 13 LYS N N 15 114.683 0.018 A 14 LEU H H 1 9.479 0.008 A 14 LEU HA H 1 5.122 0.007 A 14 LEU HBy H 1 2.612 0.009 A 14 LEU HBx H 1 1.403 0.010 A 14 LEU HDx% H 1 0.777 0.011 A 14 LEU HDy% H 1 0.755 0.003 A 14 LEU HG H 1 1.977 0.008 A 14 LEU C C 13 178.304 0.000 A 14 LEU CA C 13 54.800 0.036 A 14 LEU CB C 13 43.528 0.055 A 14 LEU CDx C 13 24.621 0.102 A 14 LEU CDy C 13 26.963 0.077 A 14 LEU CG C 13 25.898 0.070 A 14 LEU N N 15 123.176 0.031 A 15 THR H H 1 8.792 0.015 A 15 THR HA H 1 5.485 0.007 A 15 THR HB H 1 4.779 0.012 A 15 THR HG2% H 1 1.320 0.006 A 15 THR C C 13 174.697 0.000 A 15 THR CA C 13 61.722 0.106 A 15 THR CB C 13 70.914 0.021 A 15 THR CG2 C 13 21.636 0.031 A 15 THR N N 15 116.144 0.033 A 16 TYR H H 1 7.402 0.015 A 16 TYR HA H 1 2.375 0.010 A 16 TYR HBy H 1 2.195 0.006 A 16 TYR HBx H 1 0.834 0.009 A 16 TYR HDx H 1 6.753 0.009 A 16 TYR HDy H 1 6.753 0.009 A 16 TYR C C 13 176.133 0.000 A 16 TYR CA C 13 61.408 0.050 A 16 TYR CB C 13 36.889 0.051 A 16 TYR N N 15 120.594 0.027 A 17 ALA H H 1 8.545 0.010 A 17 ALA HA H 1 3.509 0.013 A 17 ALA HB% H 1 1.267 0.013 A 17 ALA C C 13 181.575 0.000 A 17 ALA CA C 13 54.732 0.041 A 17 ALA CB C 13 18.124 0.095 A 17 ALA N N 15 118.108 0.015 A 18 GLU H H 1 7.327 0.013 A 18 GLU HA H 1 3.879 0.007 A 18 GLU HBy H 1 2.148 0.014 A 18 GLU HBx H 1 1.971 0.008 A 18 GLU HGy H 1 2.258 0.004 A 18 GLU HGx H 1 2.170 0.010 A 18 GLU C C 13 178.624 0.000 A 18 GLU CA C 13 58.432 0.065 A 18 GLU CB C 13 30.814 0.047 A 18 GLU CG C 13 37.274 0.064 A 18 GLU N N 15 117.696 0.013 A 19 ALA H H 1 8.744 0.009 A 19 ALA HA H 1 3.871 0.004 A 19 ALA HB% H 1 1.522 0.011 A 19 ALA C C 13 177.371 0.000 A 19 ALA CA C 13 54.955 0.049 A 19 ALA CB C 13 19.893 0.075 A 19 ALA N N 15 124.629 0.020 A 20 LYS H H 1 8.188 0.011 A 20 LYS HA H 1 3.435 0.013 A 20 LYS HBy H 1 1.458 0.018 A 20 LYS HBx H 1 1.106 0.012 A 20 LYS HDx H 1 1.467 0.013 A 20 LYS HDy H 1 1.467 0.013 A 20 LYS HEy H 1 2.935 0.009 A 20 LYS HEx H 1 2.911 0.013 A 20 LYS HGy H 1 1.259 0.003 A 20 LYS HGx H 1 1.155 0.014 A 20 LYS C C 13 178.017 0.000 A 20 LYS CA C 13 60.086 0.035 A 20 LYS CB C 13 33.186 0.056 A 20 LYS CD C 13 30.073 0.000 A 20 LYS CE C 13 42.036 0.016 A 20 LYS CG C 13 24.713 0.063 A 20 LYS N N 15 117.842 0.026 A 21 ALA H H 1 7.382 0.007 A 21 ALA HA H 1 4.040 0.004 A 21 ALA HB% H 1 1.388 0.013 A 21 ALA C C 13 180.598 0.000 A 21 ALA CA C 13 54.991 0.042 A 21 ALA CB C 13 18.071 0.031 A 21 ALA N N 15 117.564 0.031 A 22 VAL H H 1 8.203 0.005 A 22 VAL HA H 1 3.883 0.009 A 22 VAL HB H 1 2.108 0.016 A 22 VAL HGx% H 1 0.980 0.012 A 22 VAL HGy% H 1 0.861 0.025 A 22 VAL C C 13 177.921 0.000 A 22 VAL CA C 13 66.242 0.042 A 22 VAL CB C 13 31.136 0.051 A 22 VAL CGy C 13 23.386 0.080 A 22 VAL CGx C 13 20.840 0.078 A 22 VAL N N 15 120.351 0.043 A 23 CYS H H 1 7.788 0.009 A 23 CYS HA H 1 4.352 0.014 A 23 CYS HBy H 1 2.551 0.016 A 23 CYS HBx H 1 2.389 0.010 A 23 CYS C C 13 178.687 0.000 A 23 CYS CA C 13 55.224 0.042 A 23 CYS CB C 13 33.542 0.062 A 23 CYS N N 15 116.368 0.029 A 24 GLU H H 1 8.196 0.005 A 24 GLU HA H 1 4.259 0.006 A 24 GLU HBy H 1 1.995 0.006 A 24 GLU HBx H 1 1.954 0.013 A 24 GLU HGy H 1 2.584 0.007 A 24 GLU HGx H 1 2.398 0.010 A 24 GLU C C 13 180.516 0.000 A 24 GLU CA C 13 58.412 0.044 A 24 GLU CB C 13 28.855 0.070 A 24 GLU CG C 13 36.871 0.068 A 24 GLU N N 15 120.341 0.031 A 25 PHE H H 1 8.946 0.014 A 25 PHE HA H 1 4.267 0.003 A 25 PHE HBy H 1 3.406 0.007 A 25 PHE HBx H 1 3.177 0.006 A 25 PHE HDx H 1 7.255 0.008 A 25 PHE HDy H 1 7.255 0.008 A 25 PHE HEx H 1 7.313 0.001 A 25 PHE HEy H 1 7.313 0.001 A 25 PHE C C 13 177.593 0.000 A 25 PHE CA C 13 60.845 0.057 A 25 PHE CB C 13 39.035 0.065 A 25 PHE N N 15 124.937 0.031 A 26 GLU H H 1 7.359 0.008 A 26 GLU HA H 1 4.090 0.012 A 26 GLU HBy H 1 2.320 0.013 A 26 GLU HBx H 1 1.851 0.010 A 26 GLU HGy H 1 2.812 0.010 A 26 GLU HGx H 1 2.297 0.008 A 26 GLU C C 13 175.712 0.000 A 26 GLU CA C 13 56.249 0.052 A 26 GLU CB C 13 29.418 0.040 A 26 GLU CG C 13 37.137 0.066 A 26 GLU N N 15 114.486 0.038 A 27 GLY H H 1 7.695 0.004 A 27 GLY HAx H 1 3.697 0.004 A 27 GLY HAy H 1 4.219 0.004 A 27 GLY C C 13 174.107 0.000 A 27 GLY CA C 13 45.426 0.067 A 27 GLY N N 15 106.503 0.039 A 28 GLY H H 1 7.745 0.005 A 28 GLY HAx H 1 3.933 0.010 A 28 GLY HAy H 1 4.489 0.004 A 28 GLY C C 13 172.079 0.000 A 28 GLY CA C 13 43.788 0.051 A 28 GLY N N 15 109.515 0.051 A 29 HIS H H 1 8.412 0.010 A 29 HIS HA H 1 4.865 0.012 A 29 HIS HBy H 1 3.607 0.007 A 29 HIS HBx H 1 2.996 0.009 A 29 HIS HD2 H 1 7.344 0.011 A 29 HIS HE1 H 1 8.388 0.000 A 29 HIS C C 13 174.118 0.000 A 29 HIS CA C 13 54.169 0.062 A 29 HIS CB C 13 33.436 0.077 A 29 HIS N N 15 116.220 0.027 A 30 LEU H H 1 9.399 0.009 A 30 LEU HA H 1 4.912 0.006 A 30 LEU HBy H 1 1.731 0.007 A 30 LEU HBx H 1 1.416 0.006 A 30 LEU HDx% H 1 0.791 0.024 A 30 LEU HDy% H 1 0.869 0.017 A 30 LEU HG H 1 1.503 0.017 A 30 LEU C C 13 178.158 0.000 A 30 LEU CA C 13 56.817 0.035 A 30 LEU CB C 13 42.534 0.047 A 30 LEU CDy C 13 27.142 0.141 A 30 LEU CDx C 13 23.979 0.025 A 30 LEU CG C 13 27.956 0.087 A 30 LEU N N 15 124.046 0.018 A 31 ALA H H 1 9.331 0.012 A 31 ALA HA H 1 4.403 0.012 A 31 ALA HB% H 1 1.243 0.014 A 31 ALA C C 13 176.879 0.000 A 31 ALA CA C 13 52.006 0.086 A 31 ALA CB C 13 19.593 0.066 A 31 ALA N N 15 126.730 0.032 A 32 THR H H 1 8.511 0.006 A 32 THR HA H 1 4.528 0.005 A 32 THR HB H 1 4.744 0.032 A 32 THR HG1 H 1 5.475 0.000 A 32 THR HG2% H 1 1.137 0.008 A 32 THR C C 13 174.899 0.000 A 32 THR CA C 13 59.818 0.054 A 32 THR CB C 13 70.949 0.041 A 32 THR CG2 C 13 21.697 0.008 A 32 THR N N 15 111.206 0.023 A 33 TYR H H 1 8.623 0.013 A 33 TYR HA H 1 3.745 0.006 A 33 TYR HBy H 1 3.037 0.009 A 33 TYR HBx H 1 2.721 0.004 A 33 TYR HDx H 1 6.650 0.019 A 33 TYR HDy H 1 6.650 0.019 A 33 TYR HEx H 1 6.568 0.005 A 33 TYR HEy H 1 6.568 0.005 A 33 TYR C C 13 176.176 0.000 A 33 TYR CA C 13 62.320 0.064 A 33 TYR CB C 13 38.737 0.061 A 33 TYR N N 15 121.971 0.017 A 34 LYS H H 1 8.284 0.011 A 34 LYS HA H 1 3.905 0.007 A 34 LYS HBy H 1 1.736 0.033 A 34 LYS HBx H 1 1.677 0.017 A 34 LYS HDy H 1 1.652 0.002 A 34 LYS HDx H 1 1.651 0.001 A 34 LYS HEx H 1 2.956 0.006 A 34 LYS HEy H 1 2.956 0.006 A 34 LYS HGy H 1 1.574 0.003 A 34 LYS HGx H 1 1.389 0.009 A 34 LYS C C 13 180.207 0.000 A 34 LYS CA C 13 59.854 0.085 A 34 LYS CB C 13 32.743 0.072 A 34 LYS CD C 13 29.256 0.037 A 34 LYS CG C 13 25.838 0.065 A 34 LYS N N 15 116.509 0.030 A 35 GLN H H 1 7.747 0.009 A 35 GLN HA H 1 3.822 0.009 A 35 GLN HBy H 1 2.173 0.008 A 35 GLN HBx H 1 1.419 0.006 A 35 GLN HE2y H 1 6.697 0.026 A 35 GLN HE2x H 1 5.303 0.013 A 35 GLN HGy H 1 1.954 0.026 A 35 GLN HGx H 1 1.875 0.014 A 35 GLN C C 13 179.050 0.000 A 35 GLN CA C 13 58.402 0.049 A 35 GLN CB C 13 26.715 0.074 A 35 GLN CG C 13 33.446 0.068 A 35 GLN N N 15 119.270 0.014 A 35 GLN NE2 N 15 107.221 0.049 A 36 LEU H H 1 8.473 0.009 A 36 LEU HA H 1 3.891 0.008 A 36 LEU HBy H 1 1.666 0.009 A 36 LEU HBx H 1 1.131 0.014 A 36 LEU HDx% H 1 0.221 0.009 A 36 LEU HDy% H 1 0.597 0.016 A 36 LEU HG H 1 1.177 0.013 A 36 LEU C C 13 177.812 0.000 A 36 LEU CA C 13 58.166 0.064 A 36 LEU CB C 13 41.981 0.055 A 36 LEU CDy C 13 25.959 0.046 A 36 LEU CDx C 13 24.982 0.067 A 36 LEU CG C 13 27.125 0.024 A 36 LEU N N 15 122.992 0.014 A 37 GLU H H 1 8.526 0.014 A 37 GLU HA H 1 4.244 0.011 A 37 GLU HBy H 1 1.787 0.006 A 37 GLU HBx H 1 1.660 0.016 A 37 GLU HGy H 1 2.279 0.018 A 37 GLU HGx H 1 1.984 0.014 A 37 GLU C C 13 177.984 0.000 A 37 GLU CA C 13 58.018 0.118 A 37 GLU CB C 13 28.236 0.083 A 37 GLU CG C 13 34.913 0.102 A 37 GLU N N 15 120.512 0.043 A 38 ALA H H 1 7.806 0.008 A 38 ALA HA H 1 3.995 0.009 A 38 ALA HB% H 1 1.418 0.005 A 38 ALA C C 13 180.513 0.000 A 38 ALA CA C 13 54.968 0.033 A 38 ALA CB C 13 17.792 0.058 A 38 ALA N N 15 121.256 0.016 A 39 ALA H H 1 7.495 0.011 A 39 ALA HA H 1 4.164 0.016 A 39 ALA HB% H 1 1.336 0.018 A 39 ALA C C 13 180.063 0.000 A 39 ALA CA C 13 54.064 0.057 A 39 ALA CB C 13 17.883 0.055 A 39 ALA N N 15 120.185 0.014 A 40 ARG H H 1 8.789 0.007 A 40 ARG HA H 1 4.658 0.008 A 40 ARG HBy H 1 2.036 0.024 A 40 ARG HBx H 1 1.669 0.011 A 40 ARG HDy H 1 3.418 0.006 A 40 ARG HDx H 1 2.334 0.010 A 40 ARG HE H 1 9.454 0.009 A 40 ARG HGy H 1 1.647 0.008 A 40 ARG HGx H 1 1.424 0.000 A 40 ARG C C 13 180.610 0.000 A 40 ARG CA C 13 58.559 0.083 A 40 ARG CB C 13 30.707 0.112 A 40 ARG CD C 13 42.270 0.065 A 40 ARG N N 15 124.604 0.026 A 41 LYS H H 1 8.267 0.006 A 41 LYS HA H 1 3.925 0.017 A 41 LYS HBy H 1 1.937 0.020 A 41 LYS HBx H 1 1.872 0.009 A 41 LYS HDy H 1 1.665 0.005 A 41 LYS HDx H 1 1.662 0.000 A 41 LYS HEx H 1 2.948 0.018 A 41 LYS HEy H 1 2.948 0.018 A 41 LYS HGy H 1 1.729 0.009 A 41 LYS HGx H 1 1.388 0.011 A 41 LYS C C 13 178.134 0.000 A 41 LYS CA C 13 59.409 0.074 A 41 LYS CB C 13 32.786 0.079 A 41 LYS CD C 13 29.856 0.000 A 41 LYS CE C 13 41.996 0.000 A 41 LYS CG C 13 26.082 0.060 A 41 LYS N N 15 117.810 0.024 A 42 ILE H H 1 7.263 0.005 A 42 ILE HA H 1 4.581 0.008 A 42 ILE HB H 1 2.280 0.015 A 42 ILE HD1% H 1 0.896 0.011 A 42 ILE HG1y H 1 1.584 0.012 A 42 ILE HG1x H 1 1.406 0.015 A 42 ILE HG2% H 1 0.927 0.007 A 42 ILE C C 13 176.527 0.000 A 42 ILE CA C 13 60.751 0.070 A 42 ILE CB C 13 37.739 0.043 A 42 ILE CD1 C 13 14.393 0.035 A 42 ILE CG1 C 13 27.270 0.063 A 42 ILE CG2 C 13 18.548 0.067 A 42 ILE N N 15 110.889 0.016 A 43 GLY H H 1 7.816 0.006 A 43 GLY HAx H 1 3.544 0.007 A 43 GLY HAy H 1 4.565 0.009 A 43 GLY C C 13 173.880 0.000 A 43 GLY CA C 13 45.585 0.035 A 43 GLY N N 15 108.366 0.011 A 44 PHE H H 1 8.003 0.015 A 44 PHE HA H 1 4.510 0.008 A 44 PHE HBy H 1 2.974 0.010 A 44 PHE HBx H 1 2.384 0.006 A 44 PHE HDx H 1 7.090 0.015 A 44 PHE HDy H 1 7.090 0.015 A 44 PHE HEx H 1 7.311 0.006 A 44 PHE HEy H 1 7.311 0.006 A 44 PHE HZ H 1 7.354 0.000 A 44 PHE C C 13 171.183 0.000 A 44 PHE CA C 13 59.012 0.046 A 44 PHE CB C 13 39.986 0.116 A 44 PHE N N 15 125.650 0.033 A 45 HIS H H 1 7.326 0.012 A 45 HIS HA H 1 4.728 0.002 A 45 HIS HBy H 1 2.956 0.009 A 45 HIS HBx H 1 2.707 0.020 A 45 HIS HD2 H 1 6.844 0.002 A 45 HIS HE1 H 1 8.104 0.019 A 45 HIS C C 13 175.134 0.000 A 45 HIS CA C 13 55.539 0.262 A 45 HIS CB C 13 34.586 0.081 A 45 HIS N N 15 126.999 0.062 A 46 VAL H H 1 8.147 0.012 A 46 VAL HA H 1 3.665 0.005 A 46 VAL HB H 1 2.312 0.008 A 46 VAL HGx% H 1 0.309 0.015 A 46 VAL HGy% H 1 0.165 0.013 A 46 VAL CA C 13 61.647 0.019 A 46 VAL CB C 13 35.141 0.057 A 46 VAL CGy C 13 22.170 0.087 A 46 VAL CGx C 13 21.577 0.049 A 46 VAL N N 15 126.425 0.072 A 47 CYS H H 1 8.675 0.024 A 47 CYS HA H 1 4.470 0.008 A 47 CYS HBy H 1 3.557 0.018 A 47 CYS HBx H 1 2.217 0.003 A 47 CYS C C 13 172.533 0.000 A 47 CYS CA C 13 55.259 0.075 A 47 CYS CB C 13 44.867 0.132 A 47 CYS N N 15 127.308 0.065 A 48 ALA H H 1 6.500 0.015 A 48 ALA HA H 1 4.278 0.004 A 48 ALA HB% H 1 1.000 0.009 A 48 ALA C C 13 173.936 0.000 A 48 ALA CA C 13 51.286 0.037 A 48 ALA CB C 13 19.831 0.063 A 48 ALA N N 15 120.376 0.040 A 49 ALA H H 1 8.424 0.019 A 49 ALA HA H 1 3.834 0.011 A 49 ALA HB% H 1 0.576 0.018 A 49 ALA C C 13 176.061 0.000 A 49 ALA CA C 13 53.466 0.023 A 49 ALA CB C 13 18.332 0.082 A 49 ALA N N 15 130.715 0.033 A 50 GLY H H 1 8.746 0.011 A 50 GLY HAx H 1 3.456 0.017 A 50 GLY HAy H 1 4.517 0.006 A 50 GLY C C 13 170.793 0.000 A 50 GLY CA C 13 43.792 0.037 A 50 GLY N N 15 107.085 0.020 A 51 TRP H H 1 8.596 0.005 A 51 TRP HA H 1 4.960 0.005 A 51 TRP HBy H 1 3.519 0.006 A 51 TRP HBx H 1 3.047 0.011 A 51 TRP HD1 H 1 7.365 0.006 A 51 TRP HE1 H 1 10.287 0.009 A 51 TRP HE3 H 1 7.662 0.009 A 51 TRP HH2 H 1 7.394 0.000 A 51 TRP HZ2 H 1 8.139 0.011 A 51 TRP C C 13 174.095 0.000 A 51 TRP CA C 13 58.852 0.058 A 51 TRP CB C 13 32.034 0.039 A 51 TRP N N 15 121.565 0.026 A 51 TRP NE1 N 15 131.345 0.023 A 52 MET H H 1 9.116 0.007 A 52 MET HA H 1 4.945 0.004 A 52 MET HBy H 1 2.584 0.024 A 52 MET HBx H 1 1.985 0.009 A 52 MET HE% H 1 1.604 0.001 A 52 MET HGy H 1 2.647 0.001 A 52 MET HGx H 1 2.363 0.008 A 52 MET C C 13 174.575 0.000 A 52 MET CA C 13 54.277 0.071 A 52 MET CB C 13 39.146 0.062 A 52 MET CE C 13 16.935 0.012 A 52 MET CG C 13 32.343 0.078 A 52 MET N N 15 118.713 0.016 A 53 ALA H H 1 8.517 0.014 A 53 ALA HA H 1 4.186 0.010 A 53 ALA HB% H 1 1.349 0.011 A 53 ALA C C 13 178.250 0.000 A 53 ALA CA C 13 53.791 0.063 A 53 ALA CB C 13 19.462 0.068 A 53 ALA N N 15 120.116 0.035 A 54 LYS H H 1 8.866 0.013 A 54 LYS HA H 1 3.857 0.009 A 54 LYS HBy H 1 2.275 0.009 A 54 LYS HBx H 1 1.992 0.012 A 54 LYS HDx H 1 1.696 0.008 A 54 LYS HDy H 1 1.701 0.000 A 54 LYS HEx H 1 2.987 0.012 A 54 LYS HEy H 1 2.987 0.012 A 54 LYS HGy H 1 1.449 0.009 A 54 LYS HGx H 1 1.409 0.013 A 54 LYS C C 13 175.913 0.000 A 54 LYS CA C 13 57.608 0.036 A 54 LYS CB C 13 29.796 0.081 A 54 LYS CD C 13 29.096 0.057 A 54 LYS CE C 13 42.088 0.000 A 54 LYS CG C 13 25.527 0.033 A 54 LYS N N 15 112.641 0.032 A 55 GLY H H 1 8.239 0.010 A 55 GLY HAx H 1 3.684 0.004 A 55 GLY HAy H 1 3.939 0.012 A 55 GLY C C 13 173.820 0.000 A 55 GLY CA C 13 45.933 0.061 A 55 GLY N N 15 104.227 0.024 A 56 ARG H H 1 6.825 0.019 A 56 ARG HA H 1 4.771 0.009 A 56 ARG HBy H 1 1.697 0.006 A 56 ARG HBx H 1 1.635 0.011 A 56 ARG HDy H 1 3.245 0.008 A 56 ARG HDx H 1 3.032 0.009 A 56 ARG HE H 1 7.835 0.014 A 56 ARG C C 13 173.828 0.000 A 56 ARG CA C 13 55.010 0.088 A 56 ARG CB C 13 31.939 0.093 A 56 ARG CD C 13 43.469 0.066 A 56 ARG N N 15 122.045 0.017 A 57 VAL H H 1 7.084 0.012 A 57 VAL HA H 1 4.632 0.007 A 57 VAL HB H 1 0.822 0.010 A 57 VAL HGx% H 1 -0.334 0.013 A 57 VAL HGy% H 1 -0.938 0.012 A 57 VAL C C 13 173.775 0.000 A 57 VAL CA C 13 59.946 0.024 A 57 VAL CB C 13 35.191 0.064 A 57 VAL CGy C 13 24.297 0.067 A 57 VAL CGx C 13 21.299 0.055 A 57 VAL N N 15 122.581 0.019 A 58 GLY H H 1 8.112 0.009 A 58 GLY HAx H 1 3.633 0.004 A 58 GLY HAy H 1 3.855 0.006 A 58 GLY C C 13 171.431 0.000 A 58 GLY CA C 13 46.285 0.088 A 58 GLY N N 15 112.994 0.026 A 59 TYR H H 1 7.796 0.007 A 59 TYR HA H 1 4.337 0.017 A 59 TYR HBy H 1 3.647 0.007 A 59 TYR HBx H 1 3.148 0.008 A 59 TYR HDx H 1 6.466 0.000 A 59 TYR HDy H 1 6.466 0.000 A 59 TYR HEx H 1 6.626 0.000 A 59 TYR HEy H 1 6.626 0.000 A 59 TYR CA C 13 55.972 0.000 A 59 TYR CB C 13 34.363 0.051 A 59 TYR N N 15 111.540 0.046 A 60 PRO HA H 1 4.497 0.009 A 60 PRO HBy H 1 1.834 0.007 A 60 PRO HBx H 1 1.600 0.007 A 60 PRO HDy H 1 3.704 0.000 A 60 PRO HDx H 1 3.655 0.009 A 60 PRO HGx H 1 1.795 0.011 A 60 PRO HGy H 1 1.795 0.011 A 60 PRO CA C 13 62.231 0.016 A 60 PRO CB C 13 33.314 0.061 A 60 PRO CD C 13 50.569 0.065 A 60 PRO CG C 13 26.678 0.080 A 61 ILE HA H 1 4.444 0.014 A 61 ILE HB H 1 2.023 0.013 A 61 ILE HD1% H 1 0.533 0.005 A 61 ILE HG1x H 1 1.331 0.010 A 61 ILE HG1y H 1 1.331 0.010 A 61 ILE HG2% H 1 0.969 0.006 A 61 ILE CA C 13 56.601 0.128 A 61 ILE CB C 13 38.417 0.083 A 61 ILE CD1 C 13 9.658 0.084 A 61 ILE CG2 C 13 18.341 0.053 A 62 VAL H H 1 11.229 0.019 A 62 VAL HA H 1 3.935 0.006 A 62 VAL HB H 1 2.055 0.012 A 62 VAL HGx% H 1 0.924 0.003 A 62 VAL HGy% H 1 0.919 0.006 A 62 VAL CA C 13 64.377 0.053 A 62 VAL CB C 13 34.087 0.025 A 62 VAL CGy C 13 22.984 0.058 A 62 VAL CGx C 13 21.299 0.125 A 63 LYS H H 1 7.501 0.016 A 63 LYS HA H 1 4.753 0.006 A 63 LYS HBy H 1 1.572 0.014 A 63 LYS HBx H 1 1.405 0.003 A 63 LYS HDx H 1 1.429 0.015 A 63 LYS HDy H 1 1.429 0.015 A 63 LYS HEy H 1 2.962 0.011 A 63 LYS HEx H 1 2.721 0.018 A 63 LYS HGx H 1 1.206 0.009 A 63 LYS HGy H 1 1.206 0.009 A 63 LYS CA C 13 52.473 0.014 A 63 LYS CB C 13 32.983 0.087 A 63 LYS CD C 13 29.814 0.000 A 63 LYS CE C 13 41.992 0.105 A 63 LYS CG C 13 24.409 0.082 A 63 LYS N N 15 122.578 0.035 A 64 PRO HA H 1 4.362 0.004 A 64 PRO HBy H 1 2.190 0.031 A 64 PRO HBx H 1 1.870 0.016 A 64 PRO HDy H 1 3.699 0.002 A 64 PRO HDx H 1 3.635 0.003 A 64 PRO HGy H 1 1.954 0.000 A 64 PRO HGx H 1 1.857 0.030 A 64 PRO CA C 13 63.124 0.039 A 64 PRO CB C 13 32.121 0.000 A 64 PRO CD C 13 50.565 0.076 A 64 PRO CG C 13 27.291 0.021 A 65 GLY H H 1 8.377 0.000 A 65 GLY HAx H 1 3.756 0.009 A 65 GLY HAy H 1 4.361 0.012 A 65 GLY CA C 13 45.512 0.025 A 66 PRO HA H 1 4.010 0.011 A 66 PRO HBy H 1 2.242 0.013 A 66 PRO HBx H 1 1.871 0.013 A 66 PRO HDy H 1 3.624 0.008 A 66 PRO HDx H 1 3.532 0.023 A 66 PRO HGy H 1 1.958 0.000 A 66 PRO HGx H 1 1.916 0.020 A 66 PRO C C 13 177.072 0.000 A 66 PRO CA C 13 64.765 0.082 A 66 PRO CB C 13 32.121 0.081 A 66 PRO CD C 13 50.153 0.109 A 66 PRO CG C 13 27.108 0.088 A 67 ASN H H 1 8.330 0.014 A 67 ASN HA H 1 4.995 0.014 A 67 ASN HBy H 1 2.850 0.022 A 67 ASN HBx H 1 2.627 0.013 A 67 ASN HD2y H 1 7.361 0.007 A 67 ASN HD2x H 1 6.913 0.037 A 67 ASN C C 13 173.872 0.000 A 67 ASN CA C 13 52.349 0.071 A 67 ASN CB C 13 38.955 0.092 A 67 ASN N N 15 114.419 0.024 A 67 ASN ND2 N 15 113.511 0.078 A 68 CYS H H 1 7.327 0.005 A 68 CYS HA H 1 5.034 0.013 A 68 CYS HBy H 1 3.226 0.011 A 68 CYS HBx H 1 2.942 0.009 A 68 CYS CA C 13 54.247 0.022 A 68 CYS CB C 13 44.260 0.087 A 68 CYS N N 15 118.995 0.071 A 70 PHE HA H 1 4.305 0.006 A 70 PHE HBy H 1 3.314 0.004 A 70 PHE HBx H 1 3.027 0.008 A 70 PHE HDx H 1 7.207 0.001 A 70 PHE HDy H 1 7.207 0.001 A 70 PHE CA C 13 58.889 0.034 A 70 PHE CB C 13 36.557 0.094 A 71 GLY H H 1 7.339 0.010 A 71 GLY HAx H 1 3.473 0.004 A 71 GLY HAy H 1 3.939 0.007 A 71 GLY CA C 13 46.043 0.050 A 71 GLY N N 15 105.368 0.054 A 72 LYS H H 1 6.946 0.017 A 72 LYS HA H 1 4.264 0.004 A 72 LYS HBx H 1 1.684 0.007 A 72 LYS HBy H 1 1.684 0.007 A 72 LYS HDx H 1 1.592 0.009 A 72 LYS HDy H 1 1.592 0.009 A 72 LYS HEx H 1 2.920 0.008 A 72 LYS HEy H 1 2.920 0.008 A 72 LYS HGx H 1 1.339 0.007 A 72 LYS HGy H 1 1.339 0.007 A 72 LYS C C 13 175.440 0.000 A 72 LYS CA C 13 56.413 0.073 A 72 LYS CB C 13 33.686 0.132 A 72 LYS CD C 13 29.069 0.064 A 72 LYS CE C 13 42.073 0.003 A 72 LYS CG C 13 25.324 0.000 A 72 LYS N N 15 120.404 0.067 A 73 THR H H 1 7.911 0.008 A 73 THR HA H 1 4.233 0.010 A 73 THR HB H 1 3.996 0.006 A 73 THR HG2% H 1 1.025 0.012 A 73 THR C C 13 173.774 0.000 A 73 THR CA C 13 60.879 0.061 A 73 THR CB C 13 70.841 0.046 A 73 THR CG2 C 13 21.963 0.012 A 73 THR N N 15 110.334 0.032 A 74 GLY H H 1 7.904 0.010 A 74 GLY HAx H 1 3.347 0.005 A 74 GLY HAy H 1 4.431 0.023 A 74 GLY C C 13 172.715 0.000 A 74 GLY CA C 13 43.404 0.036 A 74 GLY N N 15 109.589 0.058 A 75 ILE H H 1 8.265 0.006 A 75 ILE HA H 1 4.221 0.011 A 75 ILE HB H 1 1.603 0.011 A 75 ILE HD1% H 1 0.058 0.005 A 75 ILE HG1y H 1 0.905 0.011 A 75 ILE HG1x H 1 0.752 0.022 A 75 ILE HG2% H 1 0.197 0.009 A 75 ILE C C 13 176.249 0.000 A 75 ILE CA C 13 59.422 0.063 A 75 ILE CB C 13 36.008 0.098 A 75 ILE CD1 C 13 11.740 0.021 A 75 ILE CG1 C 13 27.408 0.099 A 75 ILE CG2 C 13 16.577 0.023 A 75 ILE N N 15 120.787 0.028 A 76 ILE H H 1 8.660 0.012 A 76 ILE HA H 1 3.587 0.010 A 76 ILE HB H 1 0.190 0.003 A 76 ILE HD1% H 1 0.265 0.020 A 76 ILE HG1y H 1 0.912 0.011 A 76 ILE HG1x H 1 0.689 0.025 A 76 ILE HG2% H 1 0.598 0.010 A 76 ILE C C 13 173.769 0.000 A 76 ILE CA C 13 59.599 0.051 A 76 ILE CB C 13 33.139 0.101 A 76 ILE CD1 C 13 9.828 0.043 A 76 ILE CG1 C 13 27.596 0.047 A 76 ILE CG2 C 13 17.725 0.054 A 76 ILE N N 15 134.542 0.036 A 77 ASP H H 1 7.925 0.006 A 77 ASP HA H 1 4.790 0.004 A 77 ASP HBy H 1 2.864 0.004 A 77 ASP HBx H 1 2.375 0.004 A 77 ASP C C 13 176.390 0.000 A 77 ASP CA C 13 52.927 0.040 A 77 ASP CB C 13 44.224 0.085 A 77 ASP N N 15 126.213 0.037 A 78 TYR H H 1 9.313 0.016 A 78 TYR HA H 1 4.780 0.010 A 78 TYR HBy H 1 3.093 0.005 A 78 TYR HBx H 1 2.742 0.015 A 78 TYR HDx H 1 6.656 0.041 A 78 TYR HDy H 1 6.656 0.041 A 78 TYR HEx H 1 6.507 0.000 A 78 TYR HEy H 1 6.507 0.000 A 78 TYR C C 13 177.025 0.000 A 78 TYR CA C 13 54.257 0.000 A 78 TYR CB C 13 36.513 0.093 A 78 TYR N N 15 126.424 0.043 A 79 GLY H H 1 8.880 0.009 A 79 GLY HAx H 1 3.680 0.002 A 79 GLY HAy H 1 4.081 0.004 A 79 GLY C C 13 172.389 0.000 A 79 GLY CA C 13 44.317 0.070 A 79 GLY N N 15 110.776 0.029 A 80 ILE H H 1 8.189 0.006 A 80 ILE HA H 1 3.897 0.007 A 80 ILE HB H 1 1.754 0.011 A 80 ILE HD1% H 1 0.769 0.015 A 80 ILE HG1y H 1 1.480 0.009 A 80 ILE HG1x H 1 1.132 0.006 A 80 ILE HG2% H 1 0.813 0.006 A 80 ILE C C 13 177.495 0.000 A 80 ILE CA C 13 61.293 0.043 A 80 ILE CB C 13 36.412 0.051 A 80 ILE CD1 C 13 11.722 0.050 A 80 ILE CG1 C 13 27.553 0.068 A 80 ILE CG2 C 13 17.476 0.047 A 80 ILE N N 15 117.437 0.039 A 81 ARG H H 1 8.367 0.009 A 81 ARG HA H 1 4.367 0.009 A 81 ARG HBx H 1 2.111 0.015 A 81 ARG HBy H 1 2.111 0.015 A 81 ARG HDx H 1 2.771 0.010 A 81 ARG HDy H 1 2.773 0.010 A 81 ARG HE H 1 9.812 0.026 A 81 ARG HGy H 1 1.892 0.007 A 81 ARG HGx H 1 1.563 0.011 A 81 ARG CA C 13 52.745 0.033 A 81 ARG CB C 13 27.133 0.116 A 81 ARG CD C 13 40.524 0.114 A 81 ARG CG C 13 25.428 0.051 A 81 ARG N N 15 128.585 0.029 A 82 LEU H H 1 8.226 0.007 A 82 LEU HA H 1 4.145 0.005 A 82 LEU HBy H 1 1.647 0.011 A 82 LEU HBx H 1 1.558 0.028 A 82 LEU HDx% H 1 0.885 0.013 A 82 LEU HDy% H 1 0.829 0.019 A 82 LEU HG H 1 1.685 0.005 A 82 LEU C C 13 177.546 0.000 A 82 LEU CA C 13 56.857 0.041 A 82 LEU CB C 13 42.266 0.066 A 82 LEU CDy C 13 24.620 0.056 A 82 LEU CDx C 13 23.482 0.082 A 82 LEU CG C 13 27.198 0.061 A 83 ASN H H 1 8.628 0.006 A 83 ASN HA H 1 4.913 0.009 A 83 ASN HBy H 1 3.302 0.006 A 83 ASN HBx H 1 2.792 0.006 A 83 ASN HD2y H 1 7.942 0.006 A 83 ASN HD2x H 1 7.048 0.013 A 83 ASN C C 13 175.764 0.000 A 83 ASN CA C 13 51.627 0.050 A 83 ASN CB C 13 37.505 0.049 A 83 ASN N N 15 115.779 0.015 A 83 ASN ND2 N 15 111.949 0.021 A 84 ARG H H 1 8.593 0.007 A 84 ARG HA H 1 4.637 0.007 A 84 ARG HBy H 1 2.005 0.009 A 84 ARG HBx H 1 1.849 0.009 A 84 ARG HDy H 1 2.845 0.007 A 84 ARG HDx H 1 2.681 0.019 A 84 ARG HE H 1 7.413 0.003 A 84 ARG HGx H 1 1.815 0.014 A 84 ARG HGy H 1 1.815 0.014 A 84 ARG C C 13 177.197 0.000 A 84 ARG CA C 13 56.695 0.071 A 84 ARG CB C 13 29.361 0.060 A 84 ARG CD C 13 42.919 0.054 A 84 ARG CG C 13 27.948 0.065 A 84 ARG N N 15 121.554 0.055 A 85 SER H H 1 8.567 0.006 A 85 SER HA H 1 4.628 0.009 A 85 SER HBx H 1 4.065 0.004 A 85 SER HBy H 1 4.065 0.004 A 85 SER C C 13 174.403 0.000 A 85 SER CA C 13 58.827 0.029 A 85 SER CB C 13 62.996 0.048 A 85 SER N N 15 116.623 0.026 A 86 GLU H H 1 7.219 0.016 A 86 GLU HA H 1 3.864 0.027 A 86 GLU HBy H 1 2.307 0.010 A 86 GLU HBx H 1 1.744 0.010 A 86 GLU HGx H 1 2.816 0.007 A 86 GLU HGy H 1 2.816 0.007 A 86 GLU C C 13 174.422 0.000 A 86 GLU CA C 13 57.520 0.023 A 86 GLU CB C 13 31.292 0.057 A 86 GLU CG C 13 37.042 0.000 A 86 GLU N N 15 121.171 0.043 A 87 ARG H H 1 7.263 0.006 A 87 ARG HA H 1 4.687 0.012 A 87 ARG HBy H 1 1.272 0.014 A 87 ARG HBx H 1 1.097 0.010 A 87 ARG HDy H 1 3.042 0.006 A 87 ARG HDx H 1 2.991 0.016 A 87 ARG HE H 1 7.163 0.009 A 87 ARG HGx H 1 1.542 0.007 A 87 ARG HGy H 1 1.542 0.007 A 87 ARG C C 13 173.408 0.000 A 87 ARG CA C 13 54.387 0.022 A 87 ARG CB C 13 31.544 0.086 A 87 ARG CD C 13 43.632 0.051 A 87 ARG CG C 13 28.408 0.111 A 87 ARG N N 15 118.124 0.018 A 88 TRP H H 1 8.811 0.004 A 88 TRP HA H 1 4.899 0.007 A 88 TRP HBy H 1 2.977 0.012 A 88 TRP HBx H 1 2.283 0.009 A 88 TRP HD1 H 1 5.568 0.021 A 88 TRP HE1 H 1 10.326 0.069 A 88 TRP HE3 H 1 6.151 0.015 A 88 TRP HZ2 H 1 7.353 0.000 A 88 TRP CA C 13 54.508 0.054 A 88 TRP CB C 13 33.610 0.046 A 88 TRP N N 15 121.383 0.039 A 88 TRP NE1 N 15 128.681 0.055 A 89 ASP H H 1 8.552 0.009 A 89 ASP HA H 1 5.602 0.008 A 89 ASP HBy H 1 3.169 0.007 A 89 ASP HBx H 1 2.928 0.007 A 89 ASP C C 13 173.648 0.000 A 89 ASP CA C 13 54.558 0.043 A 89 ASP CB C 13 40.438 0.046 A 89 ASP N N 15 119.285 0.069 A 90 ALA H H 1 8.449 0.012 A 90 ALA HA H 1 5.095 0.013 A 90 ALA HB% H 1 1.198 0.010 A 90 ALA C C 13 175.076 0.000 A 90 ALA CA C 13 52.089 0.030 A 90 ALA CB C 13 23.118 0.051 A 90 ALA N N 15 121.014 0.035 A 91 TYR H H 1 8.421 0.007 A 91 TYR HA H 1 5.072 0.011 A 91 TYR HBy H 1 2.802 0.009 A 91 TYR HBx H 1 2.565 0.008 A 91 TYR HDx H 1 6.936 0.022 A 91 TYR HDy H 1 6.936 0.022 A 91 TYR HEx H 1 7.083 0.003 A 91 TYR HEy H 1 7.083 0.003 A 91 TYR C C 13 174.671 0.000 A 91 TYR CA C 13 58.787 0.067 A 91 TYR CB C 13 40.686 0.092 A 91 TYR N N 15 118.243 0.023 A 92 CYS H H 1 8.459 0.009 A 92 CYS HA H 1 5.263 0.006 A 92 CYS HBy H 1 2.891 0.013 A 92 CYS HBx H 1 0.945 0.019 A 92 CYS C C 13 172.698 0.000 A 92 CYS CA C 13 50.601 0.058 A 92 CYS CB C 13 37.818 0.079 A 92 CYS N N 15 119.931 0.046 A 93 TYR H H 1 9.410 0.010 A 93 TYR HA H 1 4.903 0.013 A 93 TYR HBy H 1 2.765 0.017 A 93 TYR HBx H 1 2.575 0.007 A 93 TYR HDx H 1 6.818 0.019 A 93 TYR HDy H 1 6.818 0.019 A 93 TYR HEx H 1 6.747 0.024 A 93 TYR HEy H 1 6.747 0.024 A 93 TYR C C 13 173.902 0.000 A 93 TYR CA C 13 57.096 0.130 A 93 TYR CB C 13 41.665 0.092 A 93 TYR N N 15 120.805 0.073 A 94 ASN H H 1 7.832 0.003 A 94 ASN HA H 1 4.774 0.013 A 94 ASN HBx H 1 2.802 0.009 A 94 ASN HBy H 1 2.802 0.009 A 94 ASN HD2y H 1 7.549 0.002 A 94 ASN HD2x H 1 6.886 0.007 A 94 ASN CA C 13 49.599 0.009 A 94 ASN CB C 13 41.642 0.013 A 94 ASN N N 15 124.511 0.040 A 94 ASN ND2 N 15 112.953 0.042 A 95 PRO HA H 1 4.141 0.004 A 95 PRO HBy H 1 2.253 0.017 A 95 PRO HBx H 1 1.732 0.005 A 95 PRO HDy H 1 3.772 0.002 A 95 PRO HDx H 1 3.446 0.007 A 95 PRO HGy H 1 2.044 0.002 A 95 PRO HGx H 1 1.528 0.004 A 95 PRO C C 13 176.345 0.000 A 95 PRO CA C 13 63.800 0.056 A 95 PRO CB C 13 32.046 0.032 A 95 PRO CD C 13 51.064 0.047 A 95 PRO CG C 13 26.490 0.036 A 96 HIS H H 1 8.354 0.014 A 96 HIS HA H 1 4.623 0.009 A 96 HIS HBy H 1 3.259 0.010 A 96 HIS HBx H 1 3.030 0.004 A 96 HIS HD2 H 1 7.326 0.006 A 96 HIS C C 13 173.999 0.000 A 96 HIS CA C 13 55.046 0.061 A 96 HIS CB C 13 28.821 0.066 A 96 HIS N N 15 116.009 0.025 A 97 ALA H H 1 7.387 0.009 A 97 ALA HA H 1 4.269 0.005 A 97 ALA HB% H 1 1.225 0.010 A 97 ALA C C 13 176.350 0.000 A 97 ALA CA C 13 51.796 0.044 A 97 ALA CB C 13 19.648 0.025 A 97 ALA N N 15 123.775 0.018 A 98 LYS H H 1 8.040 0.010 A 98 LYS HA H 1 3.976 0.004 A 98 LYS HBy H 1 1.695 0.012 A 98 LYS HBx H 1 1.626 0.020 A 98 LYS HDx H 1 1.655 0.000 A 98 LYS HDy H 1 1.655 0.000 A 98 LYS HEx H 1 2.947 0.019 A 98 LYS HEy H 1 2.947 0.019 A 98 LYS HGx H 1 1.345 0.015 A 98 LYS HGy H 1 1.345 0.015 A 98 LYS CA C 13 58.042 0.117 A 98 LYS CB C 13 33.273 0.062 A 98 LYS CD C 13 29.203 0.000 A 98 LYS CE C 13 42.092 0.003 A 98 LYS CG C 13 24.800 0.000 A 98 LYS N N 15 127.551 0.010 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _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 2 VAL H A 1 GLY HAy 1.0 1.8 5.36 2 2 A 2 VAL H A 1 GLY HAx 1.0 1.8 5.36 3 3 A 2 VAL HB A 1 GLY HAy 1.0 1.8 6.50 4 3 A 1 GLY HAx A 2 VAL HB 1.0 1.8 6.50 5 4 A 1 GLY HAy A 2 VAL HGy% 1.0 1.8 6.68 6 4 A 1 GLY HAx A 2 VAL HGy% 1.0 1.8 6.68 7 4 A 2 VAL HGx% A 1 GLY HAy 1.0 1.8 6.68 8 4 A 1 GLY HAx A 2 VAL HGx% 1.0 1.8 6.68 9 5 A 2 VAL H A 1 GLY HAy 1.0 1.8 3.87 10 5 A 2 VAL H A 1 GLY HAx 1.0 1.8 3.87 11 6 A 93 TYR HE% A 1 GLY HAy 1.0 1.8 6.28 12 6 A 1 GLY HAx A 93 TYR HE% 1.0 1.8 6.28 13 7 A 94 ASN H A 1 GLY HAy 1.0 1.8 6.23 14 7 A 1 GLY HAx A 94 ASN H 1.0 1.8 6.23 15 8 A 2 VAL HGx% A 2 VAL HA 1.0 1.8 5.50 16 9 A 2 VAL HA A 2 VAL HGy% 1.0 1.8 5.50 17 10 A 2 VAL HA A 31 ALA HB% 1.0 1.8 7.22 18 11 A 2 VAL HA A 3 TYR H 1.0 1.8 5.19 19 12 A 2 VAL HA A 93 TYR HA 1.0 1.8 5.46 20 13 A 2 VAL HA A 93 TYR HBx 1.0 1.8 6.49 21 14 A 2 VAL HA A 93 TYR HBy 1.0 1.8 7.46 22 15 A 93 TYR HE% A 2 VAL HA 1.0 1.8 6.50 23 16 A 94 ASN H A 2 VAL HA 1.0 1.8 5.81 24 17 A 2 VAL HB A 3 TYR H 1.0 1.8 6.09 25 18 A 2 VAL HGx% A 36 LEU HA 1.0 1.8 5.82 26 19 A 2 VAL HGx% A 3 TYR H 1.0 1.8 6.02 27 20 A 2 VAL HGx% A 93 TYR HBx 1.0 1.8 6.19 28 21 A 2 VAL HGx% A 93 TYR HD% 1.0 1.8 5.78 29 22 A 36 LEU HA A 2 VAL HGy% 1.0 1.8 5.82 30 23 A 3 TYR H A 2 VAL HGy% 1.0 1.8 6.02 31 24 A 93 TYR HBx A 2 VAL HGy% 1.0 1.8 6.19 32 25 A 93 TYR HD% A 2 VAL HGy% 1.0 1.8 5.78 33 26 A 31 ALA H A 2 VAL HGy% 1.0 1.8 5.45 34 26 A 2 VAL HGx% A 31 ALA H 1.0 1.8 5.45 35 27 A 32 THR H A 2 VAL HGy% 1.0 1.8 6.36 36 27 A 2 VAL HGx% A 32 THR H 1.0 1.8 6.36 37 28 A 36 LEU HA A 2 VAL HGy% 1.0 1.8 5.16 38 28 A 2 VAL HGx% A 36 LEU HA 1.0 1.8 5.16 39 29 A 36 LEU HBx A 2 VAL HGy% 1.0 1.8 6.57 40 29 A 2 VAL HGx% A 36 LEU HBx 1.0 1.8 6.57 41 30 A 36 LEU HDy% A 2 VAL HGy% 1.0 1.8 3.97 42 30 A 2 VAL HGx% A 36 LEU HDy% 1.0 1.8 3.97 43 31 A 39 ALA HB% A 2 VAL HGy% 1.0 1.8 5.48 44 31 A 2 VAL HGx% A 39 ALA HB% 1.0 1.8 5.48 45 32 A 39 ALA H A 2 VAL HGy% 1.0 1.8 6.07 46 32 A 2 VAL HGx% A 39 ALA H 1.0 1.8 6.07 47 33 A 3 TYR HA A 2 VAL HGy% 1.0 1.8 6.41 48 33 A 2 VAL HGx% A 3 TYR HA 1.0 1.8 6.41 49 34 A 3 TYR HBy A 2 VAL HGy% 1.0 1.8 5.78 50 34 A 2 VAL HGx% A 3 TYR HBy 1.0 1.8 5.78 51 35 A 3 TYR H A 2 VAL HGy% 1.0 1.8 5.18 52 35 A 2 VAL HGx% A 3 TYR H 1.0 1.8 5.18 53 36 A 40 ARG H A 2 VAL HGy% 1.0 1.8 5.86 54 36 A 2 VAL HGx% A 40 ARG H 1.0 1.8 5.86 55 37 A 93 TYR HA A 2 VAL HGy% 1.0 1.8 3.87 56 37 A 2 VAL HGx% A 93 TYR HA 1.0 1.8 3.87 57 38 A 93 TYR HBy A 2 VAL HGy% 1.0 1.8 6.40 58 38 A 2 VAL HGx% A 93 TYR HBy 1.0 1.8 6.40 59 39 A 93 TYR HD% A 2 VAL HGy% 1.0 1.8 5.16 60 39 A 2 VAL HGx% A 93 TYR HD% 1.0 1.8 5.16 61 40 A 94 ASN H A 2 VAL HGy% 1.0 1.8 6.22 62 40 A 2 VAL HGx% A 94 ASN H 1.0 1.8 6.22 63 41 A 2 VAL H A 2 VAL HB 1.0 1.8 5.21 64 42 A 2 VAL H A 2 VAL HGx% 1.0 1.8 6.59 65 43 A 2 VAL H A 2 VAL HGy% 1.0 1.8 6.59 66 44 A 2 VAL H A 2 VAL HGy% 1.0 1.8 5.29 67 44 A 2 VAL H A 2 VAL HGx% 1.0 1.8 5.29 68 45 A 2 VAL H A 39 ALA H 1.0 1.8 7.38 69 46 A 2 VAL H A 3 TYR H 1.0 1.8 5.82 70 47 A 2 VAL H A 93 TYR HE% 1.0 1.8 6.58 71 48 A 2 VAL H A 94 ASN H 1.0 1.8 6.83 72 49 A 3 TYR HA A 3 TYR HD% 1.0 1.8 6.53 73 50 A 3 TYR HA A 44 PHE HE% 1.0 1.8 6.12 74 51 A 3 TYR HA A 44 PHE HZ 1.0 1.8 6.49 75 52 A 3 TYR HBx A 4 HIS H 1.0 1.8 5.97 76 53 A 3 TYR HBy A 4 HIS H 1.0 1.8 6.71 77 54 A 3 TYR HD% A 5 ARG HDx 1.0 1.8 6.28 78 54 A 3 TYR HD% A 5 ARG HDy 1.0 1.8 6.28 79 55 A 3 TYR HD% A 5 ARG HGx 1.0 1.8 5.95 80 55 A 3 TYR HD% A 5 ARG HGy 1.0 1.8 5.95 81 56 A 3 TYR HD% A 93 TYR H 1.0 1.8 6.25 82 57 A 3 TYR HE% A 5 ARG HBx 1.0 1.8 7.07 83 57 A 3 TYR HE% A 5 ARG HBy 1.0 1.8 7.07 84 58 A 3 TYR HE% A 5 ARG HDx 1.0 1.8 6.43 85 59 A 5 ARG HDy A 3 TYR HE% 1.0 1.8 6.43 86 60 A 3 TYR HE% A 5 ARG HDx 1.0 1.8 5.82 87 60 A 5 ARG HDy A 3 TYR HE% 1.0 1.8 5.82 88 61 A 3 TYR HE% A 92 CYS HBx 1.0 1.8 7.06 89 62 A 3 TYR HE% A 92 CYS HBy 1.0 1.8 7.06 90 63 A 3 TYR H A 3 TYR HBx 1.0 1.8 6.05 91 64 A 3 TYR H A 3 TYR HD% 1.0 1.8 5.92 92 65 A 3 TYR H A 44 PHE HZ 1.0 1.8 7.08 93 66 A 3 TYR H A 4 HIS H 1.0 1.8 6.62 94 67 A 3 TYR H A 91 TYR HBy 1.0 1.8 6.97 95 68 A 3 TYR H A 92 CYS H 1.0 1.8 6.06 96 69 A 94 ASN H A 3 TYR H 1.0 1.8 7.22 97 70 A 44 PHE HE% A 4 HIS HA 1.0 1.8 6.01 98 71 A 4 HIS HA A 5 ARG HGx 1.0 1.8 6.53 99 71 A 5 ARG HGy A 4 HIS HA 1.0 1.8 6.53 100 72 A 4 HIS HA A 5 ARG H 1.0 1.8 5.30 101 73 A 4 HIS HA A 91 TYR HD% 1.0 1.8 6.23 102 74 A 44 PHE HE% A 4 HIS HBx 1.0 1.8 6.43 103 75 A 91 TYR HE% A 4 HIS HBx 1.0 1.8 6.40 104 76 A 44 PHE HE% A 4 HIS HBy 1.0 1.8 6.43 105 77 A 91 TYR HE% A 4 HIS HBy 1.0 1.8 6.40 106 78 A 4 HIS HBx A 46 VAL HGy% 1.0 1.8 5.18 107 78 A 4 HIS HBy A 46 VAL HGy% 1.0 1.8 5.18 108 78 A 46 VAL HGx% A 4 HIS HBx 1.0 1.8 5.18 109 78 A 4 HIS HBy A 46 VAL HGx% 1.0 1.8 5.18 110 79 A 5 ARG H A 4 HIS HBx 1.0 1.8 5.87 111 79 A 5 ARG H A 4 HIS HBy 1.0 1.8 5.87 112 80 A 5 ARG H A 4 HIS HD2 1.0 1.8 6.51 113 81 A 4 HIS HE1 A 46 VAL HGy% 1.0 1.8 6.98 114 81 A 46 VAL HGx% A 4 HIS HE1 1.0 1.8 6.98 115 82 A 44 PHE HZ A 4 HIS H 1.0 1.8 6.24 116 83 A 4 HIS H A 46 VAL HGy% 1.0 1.8 7.34 117 83 A 4 HIS H A 46 VAL HGx% 1.0 1.8 7.34 118 84 A 4 HIS H A 4 HIS HBx 1.0 1.8 5.99 119 85 A 4 HIS H A 4 HIS HBy 1.0 1.8 5.99 120 86 A 4 HIS H A 5 ARG H 1.0 1.8 6.78 121 87 A 5 ARG HA A 22 VAL HGy% 1.0 1.8 6.99 122 87 A 5 ARG HA A 22 VAL HGx% 1.0 1.8 6.99 123 88 A 5 ARG HA A 5 ARG HDx 1.0 1.8 5.90 124 89 A 5 ARG HDy A 5 ARG HA 1.0 1.8 5.90 125 90 A 5 ARG HA A 5 ARG HDx 1.0 1.8 5.34 126 90 A 5 ARG HDy A 5 ARG HA 1.0 1.8 5.34 127 91 A 5 ARG HA A 5 ARG HGx 1.0 1.8 5.78 128 91 A 5 ARG HGy A 5 ARG HA 1.0 1.8 5.78 129 92 A 5 ARG HA A 6 GLU H 1.0 1.8 5.30 130 93 A 22 VAL HB A 5 ARG HBx 1.0 1.8 7.20 131 93 A 5 ARG HBy A 22 VAL HB 1.0 1.8 7.20 132 94 A 5 ARG HBx A 22 VAL HGy% 1.0 1.8 5.45 133 94 A 22 VAL HGx% A 5 ARG HBx 1.0 1.8 5.45 134 94 A 5 ARG HBy A 22 VAL HGx% 1.0 1.8 5.45 135 94 A 5 ARG HBy A 22 VAL HGy% 1.0 1.8 5.45 136 95 A 5 ARG HBy A 5 ARG HDx 1.0 1.8 5.59 137 95 A 5 ARG HBx A 5 ARG HDx 1.0 1.8 5.59 138 96 A 5 ARG HDy A 5 ARG HBx 1.0 1.8 5.59 139 96 A 5 ARG HDy A 5 ARG HBy 1.0 1.8 5.59 140 97 A 6 GLU H A 5 ARG HBx 1.0 1.8 5.57 141 97 A 5 ARG HBy A 6 GLU H 1.0 1.8 5.57 142 98 A 90 ALA H A 5 ARG HBx 1.0 1.8 5.89 143 98 A 5 ARG HBy A 90 ALA H 1.0 1.8 5.89 144 99 A 6 GLU H A 5 ARG HDx 1.0 1.8 6.12 145 100 A 5 ARG HDy A 6 GLU H 1.0 1.8 6.12 146 101 A 5 ARG HDx A 22 VAL HGy% 1.0 1.8 6.02 147 101 A 5 ARG HDy A 22 VAL HGy% 1.0 1.8 6.02 148 101 A 22 VAL HGx% A 5 ARG HDx 1.0 1.8 6.02 149 101 A 5 ARG HDy A 22 VAL HGx% 1.0 1.8 6.02 150 102 A 6 GLU HA A 5 ARG HDx 1.0 1.8 6.47 151 102 A 5 ARG HDy A 6 GLU HA 1.0 1.8 6.47 152 103 A 6 GLU H A 5 ARG HDx 1.0 1.8 5.54 153 103 A 5 ARG HDy A 6 GLU H 1.0 1.8 5.54 154 104 A 93 TYR H A 5 ARG HE 1.0 1.8 6.56 155 105 A 22 VAL HB A 5 ARG HGx 1.0 1.8 7.41 156 105 A 5 ARG HGy A 22 VAL HB 1.0 1.8 7.41 157 106 A 5 ARG H A 48 ALA HB% 1.0 1.8 6.43 158 107 A 5 ARG H A 5 ARG HBx 1.0 1.8 5.34 159 107 A 5 ARG HBy A 5 ARG H 1.0 1.8 5.34 160 108 A 5 ARG H A 5 ARG HDx 1.0 1.8 6.39 161 109 A 5 ARG HDy A 5 ARG H 1.0 1.8 6.39 162 110 A 5 ARG H A 5 ARG HDx 1.0 1.8 5.80 163 110 A 5 ARG HDy A 5 ARG H 1.0 1.8 5.80 164 111 A 5 ARG H A 6 GLU H 1.0 1.8 6.65 165 112 A 5 ARG H A 90 ALA HB% 1.0 1.8 6.21 166 113 A 5 ARG H A 90 ALA H 1.0 1.8 6.68 167 114 A 91 TYR HBy A 5 ARG H 1.0 1.8 7.21 168 115 A 92 CYS H A 5 ARG H 1.0 1.8 6.14 169 116 A 6 GLU HA A 14 LEU HDx% 1.0 1.8 6.63 170 117 A 6 GLU HA A 14 LEU HDy% 1.0 1.8 6.63 171 118 A 6 GLU HA A 14 LEU HDx% 1.0 1.8 5.47 172 118 A 6 GLU HA A 14 LEU HDy% 1.0 1.8 5.47 173 119 A 6 GLU HA A 6 GLU HGy 1.0 1.8 5.57 174 119 A 6 GLU HA A 6 GLU HGx 1.0 1.8 5.57 175 120 A 6 GLU HA A 7 ALA HB% 1.0 1.8 5.72 176 121 A 6 GLU HA A 7 ALA H 1.0 1.8 5.46 177 122 A 6 GLU HA A 89 ASP HA 1.0 1.8 6.03 178 123 A 90 ALA H A 6 GLU HA 1.0 1.8 6.04 179 124 A 7 ALA H A 6 GLU HBy 1.0 1.8 5.62 180 124 A 7 ALA H A 6 GLU HBx 1.0 1.8 5.62 181 125 A 6 GLU HGx A 11 LYS HA 1.0 1.8 6.94 182 126 A 11 LYS HA A 6 GLU HGy 1.0 1.8 6.94 183 127 A 10 GLY H A 6 GLU HGy 1.0 1.8 7.34 184 127 A 6 GLU HGx A 10 GLY H 1.0 1.8 7.34 185 128 A 11 LYS HA A 6 GLU HGy 1.0 1.8 6.09 186 128 A 6 GLU HGx A 11 LYS HA 1.0 1.8 6.09 187 129 A 7 ALA HB% A 6 GLU HGy 1.0 1.8 3.82 188 129 A 6 GLU HGx A 7 ALA HB% 1.0 1.8 3.82 189 130 A 7 ALA H A 6 GLU HGy 1.0 1.8 6.49 190 130 A 6 GLU HGx A 7 ALA H 1.0 1.8 6.49 191 131 A 6 GLU H A 6 GLU HBy 1.0 1.8 5.70 192 131 A 6 GLU H A 6 GLU HBx 1.0 1.8 5.70 193 132 A 6 GLU H A 6 GLU HGx 1.0 1.8 6.66 194 133 A 6 GLU H A 6 GLU HGy 1.0 1.8 6.66 195 134 A 6 GLU H A 7 ALA H 1.0 1.8 6.46 196 135 A 10 GLY H A 7 ALA HA 1.0 1.8 6.76 197 136 A 7 ALA HA A 14 LEU HDx% 1.0 1.8 5.08 198 136 A 14 LEU HDy% A 7 ALA HA 1.0 1.8 5.08 199 137 A 7 ALA HA A 8 ARG HBx 1.0 1.8 5.70 200 137 A 7 ALA HA A 8 ARG HBy 1.0 1.8 5.70 201 138 A 7 ALA HA A 8 ARG H 1.0 1.8 3.72 202 139 A 7 ALA HA A 9 SER H 1.0 1.8 6.73 203 140 A 7 ALA HB% A 10 GLY HAy 1.0 1.8 6.26 204 141 A 7 ALA HB% A 10 GLY HAx 1.0 1.8 6.20 205 142 A 7 ALA HB% A 10 GLY H 1.0 1.8 5.02 206 143 A 7 ALA HB% A 14 LEU HBx 1.0 1.8 6.06 207 144 A 7 ALA HB% A 14 LEU HDx% 1.0 1.8 3.61 208 144 A 14 LEU HDy% A 7 ALA HB% 1.0 1.8 3.61 209 145 A 7 ALA HB% A 14 LEU HG 1.0 1.8 5.33 210 146 A 7 ALA HB% A 89 ASP HA 1.0 1.8 6.59 211 147 A 7 ALA HB% A 8 ARG H 1.0 1.8 3.96 212 148 A 7 ALA HB% A 9 SER HBx 1.0 1.8 6.29 213 149 A 7 ALA HB% A 9 SER HBy 1.0 1.8 5.57 214 150 A 7 ALA HB% A 9 SER H 1.0 1.8 3.89 215 151 A 7 ALA H A 10 GLY H 1.0 1.8 6.64 216 152 A 7 ALA H A 13 LYS H 1.0 1.8 7.26 217 153 A 7 ALA H A 14 LEU HDx% 1.0 1.8 6.00 218 153 A 14 LEU HDy% A 7 ALA H 1.0 1.8 6.00 219 154 A 7 ALA HB% A 7 ALA H 1.0 1.8 5.16 220 155 A 7 ALA H A 89 ASP HA 1.0 1.8 7.31 221 156 A 7 ALA H A 89 ASP HBy 1.0 1.8 7.34 222 156 A 7 ALA H A 89 ASP HBx 1.0 1.8 7.34 223 157 A 7 ALA H A 8 ARG H 1.0 1.8 6.88 224 158 A 8 ARG HA A 8 ARG HBx 1.0 1.8 3.55 225 158 A 8 ARG HBy A 8 ARG HA 1.0 1.8 3.55 226 159 A 8 ARG HA A 8 ARG HDy 1.0 1.8 5.42 227 159 A 8 ARG HA A 8 ARG HDx 1.0 1.8 5.42 228 160 A 8 ARG HA A 8 ARG HGx 1.0 1.8 5.65 229 161 A 8 ARG HA A 8 ARG HGy 1.0 1.8 5.65 230 162 A 8 ARG HBy A 8 ARG HDy 1.0 1.8 5.11 231 162 A 8 ARG HBx A 8 ARG HDy 1.0 1.8 5.11 232 162 A 8 ARG HDx A 8 ARG HBx 1.0 1.8 5.11 233 162 A 8 ARG HBy A 8 ARG HDx 1.0 1.8 5.11 234 163 A 9 SER HA A 8 ARG HBx 1.0 1.8 7.05 235 163 A 8 ARG HBy A 9 SER HA 1.0 1.8 7.05 236 164 A 9 SER H A 8 ARG HBx 1.0 1.8 5.00 237 164 A 8 ARG HBy A 9 SER H 1.0 1.8 5.00 238 165 A 9 SER H A 8 ARG HDy 1.0 1.8 7.50 239 166 A 9 SER H A 8 ARG HDx 1.0 1.8 7.50 240 167 A 9 SER H A 8 ARG HDy 1.0 1.8 6.84 241 167 A 9 SER H A 8 ARG HDx 1.0 1.8 6.84 242 168 A 8 ARG HDx A 8 ARG HGy 1.0 1.8 3.27 243 168 A 8 ARG HDy A 8 ARG HGy 1.0 1.8 3.27 244 168 A 8 ARG HGx A 8 ARG HDy 1.0 1.8 3.27 245 168 A 8 ARG HDx A 8 ARG HGx 1.0 1.8 3.27 246 169 A 10 GLY H A 8 ARG H 1.0 1.8 6.14 247 170 A 8 ARG H A 8 ARG HBx 1.0 1.8 3.62 248 170 A 8 ARG HBy A 8 ARG H 1.0 1.8 3.62 249 171 A 8 ARG H A 8 ARG HDy 1.0 1.8 5.98 250 171 A 8 ARG H A 8 ARG HDx 1.0 1.8 5.98 251 172 A 8 ARG H A 8 ARG HGx 1.0 1.8 6.35 252 173 A 8 ARG H A 8 ARG HGy 1.0 1.8 6.35 253 174 A 8 ARG H A 9 SER HBx 1.0 1.8 6.77 254 175 A 8 ARG H A 9 SER H 1.0 1.8 5.28 255 176 A 10 GLY H A 9 SER HA 1.0 1.8 5.38 256 177 A 9 SER HBx A 9 SER HA 1.0 1.8 3.82 257 178 A 9 SER HBy A 9 SER HA 1.0 1.8 3.83 258 179 A 10 GLY H A 9 SER HBy 1.0 1.8 5.66 259 180 A 9 SER HBy A 13 LYS HBy 1.0 1.8 7.34 260 180 A 9 SER HBy A 13 LYS HBx 1.0 1.8 7.34 261 181 A 9 SER HBy A 13 LYS HDx 1.0 1.8 7.34 262 181 A 9 SER HBy A 13 LYS HDy 1.0 1.8 7.34 263 182 A 9 SER H A 10 GLY HAx 1.0 1.8 6.20 264 183 A 10 GLY H A 9 SER H 1.0 1.8 3.54 265 184 A 9 SER H A 14 LEU HDx% 1.0 1.8 7.21 266 184 A 14 LEU HDy% A 9 SER H 1.0 1.8 7.21 267 185 A 9 SER H A 9 SER HBx 1.0 1.8 5.20 268 186 A 9 SER H A 9 SER HBy 1.0 1.8 5.16 269 187 A 10 GLY HAy A 11 LYS HGy 1.0 1.8 6.67 270 187 A 10 GLY HAy A 11 LYS HGx 1.0 1.8 6.67 271 188 A 10 GLY HAy A 11 LYS H 1.0 1.8 5.09 272 189 A 10 GLY HAx A 11 LYS H 1.0 1.8 5.05 273 190 A 10 GLY HAx A 12 TYR H 1.0 1.8 7.07 274 191 A 10 GLY HAx A 13 LYS HGy 1.0 1.8 6.37 275 191 A 10 GLY HAx A 13 LYS HGx 1.0 1.8 6.37 276 192 A 10 GLY H A 10 GLY HAy 1.0 1.8 3.87 277 193 A 10 GLY H A 11 LYS HDx 1.0 1.8 7.19 278 193 A 10 GLY H A 11 LYS HDy 1.0 1.8 7.19 279 194 A 10 GLY H A 11 LYS H 1.0 1.8 5.65 280 195 A 10 GLY H A 13 LYS H 1.0 1.8 6.62 281 196 A 10 GLY H A 14 LEU HDx% 1.0 1.8 6.54 282 196 A 14 LEU HDy% A 10 GLY H 1.0 1.8 6.54 283 197 A 11 LYS HA A 11 LYS HDx 1.0 1.8 6.92 284 198 A 11 LYS HA A 11 LYS HDy 1.0 1.8 6.92 285 199 A 11 LYS HA A 11 LYS HGy 1.0 1.8 5.49 286 199 A 11 LYS HA A 11 LYS HGx 1.0 1.8 5.49 287 200 A 11 LYS HA A 12 TYR HD% 1.0 1.8 7.17 288 201 A 12 TYR HE% A 11 LYS HEx 1.0 1.8 6.61 289 201 A 11 LYS HEy A 12 TYR HE% 1.0 1.8 6.61 290 202 A 12 TYR H A 11 LYS HEx 1.0 1.8 7.06 291 202 A 12 TYR H A 11 LYS HEy 1.0 1.8 7.06 292 203 A 11 LYS HGx A 11 LYS HEx 1.0 1.8 6.01 293 203 A 11 LYS HGx A 11 LYS HEy 1.0 1.8 6.01 294 204 A 11 LYS HGx A 12 TYR HD% 1.0 1.8 7.28 295 205 A 11 LYS HGx A 12 TYR H 1.0 1.8 6.45 296 206 A 11 LYS HEx A 11 LYS HGy 1.0 1.8 6.01 297 206 A 11 LYS HEy A 11 LYS HGy 1.0 1.8 6.01 298 207 A 12 TYR HD% A 11 LYS HGy 1.0 1.8 7.28 299 208 A 12 TYR H A 11 LYS HGy 1.0 1.8 6.45 300 209 A 11 LYS HEx A 11 LYS HGy 1.0 1.8 5.30 301 209 A 11 LYS HGx A 11 LYS HEx 1.0 1.8 5.30 302 209 A 11 LYS HGx A 11 LYS HEy 1.0 1.8 5.30 303 209 A 11 LYS HEy A 11 LYS HGy 1.0 1.8 5.30 304 210 A 12 TYR HD% A 11 LYS HGy 1.0 1.8 6.55 305 210 A 11 LYS HGx A 12 TYR HD% 1.0 1.8 6.55 306 211 A 12 TYR H A 11 LYS HGy 1.0 1.8 5.72 307 211 A 11 LYS HGx A 12 TYR H 1.0 1.8 5.72 308 212 A 11 LYS H A 11 LYS HBx 1.0 1.8 6.04 309 213 A 11 LYS H A 11 LYS HBy 1.0 1.8 6.04 310 214 A 11 LYS H A 11 LYS HEx 1.0 1.8 6.71 311 214 A 11 LYS H A 11 LYS HEy 1.0 1.8 6.71 312 215 A 11 LYS HGx A 11 LYS H 1.0 1.8 6.13 313 216 A 11 LYS H A 11 LYS HGy 1.0 1.8 6.13 314 217 A 11 LYS H A 11 LYS HGy 1.0 1.8 5.49 315 217 A 11 LYS HGx A 11 LYS H 1.0 1.8 5.49 316 218 A 11 LYS H A 12 TYR H 1.0 1.8 6.31 317 219 A 11 LYS H A 13 LYS HBy 1.0 1.8 3.97 318 219 A 13 LYS HBx A 11 LYS H 1.0 1.8 3.97 319 220 A 12 TYR HD% A 12 TYR HA 1.0 1.8 5.47 320 221 A 12 TYR HA A 14 LEU H 1.0 1.8 6.85 321 222 A 12 TYR HA A 88 TRP HA 1.0 1.8 5.81 322 223 A 88 TRP HA A 12 TYR HBy 1.0 1.8 6.67 323 223 A 88 TRP HA A 12 TYR HBx 1.0 1.8 6.67 324 224 A 12 TYR HBx A 88 TRP HBx 1.0 1.8 7.18 325 224 A 12 TYR HBy A 88 TRP HBx 1.0 1.8 7.18 326 224 A 88 TRP HBy A 12 TYR HBy 1.0 1.8 7.18 327 224 A 12 TYR HBx A 88 TRP HBy 1.0 1.8 7.18 328 225 A 13 LYS H A 12 TYR HD% 1.0 1.8 6.34 329 226 A 12 TYR HD% A 88 TRP HA 1.0 1.8 6.77 330 227 A 12 TYR HD% A 89 ASP H 1.0 1.8 7.08 331 228 A 48 ALA HB% A 12 TYR HE% 1.0 1.8 5.88 332 229 A 12 TYR HE% A 49 ALA H 1.0 1.8 6.63 333 230 A 12 TYR H A 12 TYR HD% 1.0 1.8 5.76 334 231 A 12 TYR H A 13 LYS HBy 1.0 1.8 5.97 335 231 A 13 LYS HBx A 12 TYR H 1.0 1.8 5.97 336 232 A 13 LYS H A 12 TYR H 1.0 1.8 6.12 337 233 A 13 LYS HA A 13 LYS HDx 1.0 1.8 5.22 338 234 A 13 LYS HDy A 13 LYS HA 1.0 1.8 5.22 339 235 A 13 LYS HA A 13 LYS HDx 1.0 1.8 3.79 340 235 A 13 LYS HDy A 13 LYS HA 1.0 1.8 3.79 341 236 A 13 LYS HA A 13 LYS HGy 1.0 1.8 5.14 342 236 A 13 LYS HGx A 13 LYS HA 1.0 1.8 5.14 343 237 A 13 LYS HA A 87 ARG HBx 1.0 1.8 5.98 344 238 A 13 LYS HA A 87 ARG HBy 1.0 1.8 5.98 345 239 A 13 LYS HA A 87 ARG HBy 1.0 1.8 5.43 346 239 A 13 LYS HA A 87 ARG HBx 1.0 1.8 5.43 347 240 A 13 LYS HA A 87 ARG HDx 1.0 1.8 5.64 348 241 A 13 LYS HA A 87 ARG HDy 1.0 1.8 5.64 349 242 A 13 LYS HA A 87 ARG HDx 1.0 1.8 5.06 350 242 A 13 LYS HA A 87 ARG HDy 1.0 1.8 5.06 351 243 A 13 LYS HBy A 13 LYS HDx 1.0 1.8 5.26 352 243 A 13 LYS HBx A 13 LYS HDx 1.0 1.8 5.26 353 243 A 13 LYS HDy A 13 LYS HBy 1.0 1.8 5.26 354 243 A 13 LYS HBx A 13 LYS HDy 1.0 1.8 5.26 355 244 A 13 LYS HBx A 13 LYS HEy 1.0 1.8 6.60 356 244 A 13 LYS HBy A 13 LYS HEy 1.0 1.8 6.60 357 244 A 13 LYS HEx A 13 LYS HBy 1.0 1.8 6.60 358 244 A 13 LYS HBx A 13 LYS HEx 1.0 1.8 6.60 359 245 A 14 LEU H A 13 LYS HBy 1.0 1.8 5.61 360 245 A 13 LYS HBx A 14 LEU H 1.0 1.8 5.61 361 246 A 13 LYS HEy A 13 LYS HGy 1.0 1.8 3.73 362 246 A 13 LYS HEx A 13 LYS HGy 1.0 1.8 3.73 363 246 A 13 LYS HGx A 13 LYS HEy 1.0 1.8 3.73 364 246 A 13 LYS HGx A 13 LYS HEx 1.0 1.8 3.73 365 247 A 13 LYS H A 13 LYS HBx 1.0 1.8 5.68 366 248 A 13 LYS H A 13 LYS HBy 1.0 1.8 5.68 367 249 A 13 LYS H A 13 LYS HBy 1.0 1.8 5.13 368 249 A 13 LYS H A 13 LYS HBx 1.0 1.8 5.13 369 250 A 13 LYS H A 13 LYS HGy 1.0 1.8 5.64 370 250 A 13 LYS H A 13 LYS HGx 1.0 1.8 5.64 371 251 A 13 LYS H A 14 LEU HDx% 1.0 1.8 6.75 372 252 A 14 LEU HDy% A 13 LYS H 1.0 1.8 6.75 373 253 A 13 LYS H A 14 LEU HDx% 1.0 1.8 5.95 374 253 A 14 LEU HDy% A 13 LYS H 1.0 1.8 5.95 375 254 A 13 LYS H A 14 LEU H 1.0 1.8 5.58 376 255 A 13 LYS H A 87 ARG HDx 1.0 1.8 6.33 377 255 A 13 LYS H A 87 ARG HDy 1.0 1.8 6.33 378 256 A 14 LEU HA A 14 LEU HDx% 1.0 1.8 5.09 379 256 A 14 LEU HDy% A 14 LEU HA 1.0 1.8 5.09 380 257 A 14 LEU HG A 14 LEU HA 1.0 1.8 5.68 381 258 A 14 LEU HA A 15 THR HG2% 1.0 1.8 6.45 382 259 A 14 LEU HA A 15 THR H 1.0 1.8 5.27 383 260 A 14 LEU HA A 18 GLU HBx 1.0 1.8 6.36 384 261 A 14 LEU HA A 18 GLU HBy 1.0 1.8 6.41 385 262 A 14 LEU HA A 18 GLU HGy 1.0 1.8 5.65 386 262 A 14 LEU HA A 18 GLU HGx 1.0 1.8 5.65 387 263 A 14 LEU HA A 18 GLU H 1.0 1.8 7.50 388 264 A 14 LEU HBx A 15 THR H 1.0 1.8 6.32 389 265 A 14 LEU HBx A 18 GLU H 1.0 1.8 6.66 390 266 A 14 LEU HBx A 19 ALA H 1.0 1.8 5.96 391 267 A 14 LEU HBx A 51 TRP HE1 1.0 1.8 6.65 392 268 A 14 LEU HBx A 88 TRP H 1.0 1.8 6.97 393 269 A 89 ASP HA A 14 LEU HBx 1.0 1.8 6.63 394 270 A 90 ALA HB% A 14 LEU HBx 1.0 1.8 6.38 395 271 A 15 THR H A 14 LEU HBy 1.0 1.8 6.36 396 272 A 18 GLU H A 14 LEU HBy 1.0 1.8 6.88 397 273 A 89 ASP HA A 14 LEU HDx% 1.0 1.8 5.60 398 274 A 14 LEU HDy% A 89 ASP HA 1.0 1.8 5.60 399 275 A 15 THR H A 14 LEU HDx% 1.0 1.8 5.55 400 275 A 14 LEU HDy% A 15 THR H 1.0 1.8 5.55 401 276 A 18 GLU HA A 14 LEU HDx% 1.0 1.8 5.86 402 276 A 14 LEU HDy% A 18 GLU HA 1.0 1.8 5.86 403 277 A 18 GLU HBy A 14 LEU HDx% 1.0 1.8 5.44 404 277 A 14 LEU HDy% A 18 GLU HBy 1.0 1.8 5.44 405 278 A 14 LEU HDy% A 18 GLU HGy 1.0 1.8 5.25 406 278 A 14 LEU HDx% A 18 GLU HGy 1.0 1.8 5.25 407 278 A 18 GLU HGx A 14 LEU HDx% 1.0 1.8 5.25 408 278 A 14 LEU HDy% A 18 GLU HGx 1.0 1.8 5.25 409 279 A 18 GLU H A 14 LEU HDx% 1.0 1.8 5.65 410 279 A 14 LEU HDy% A 18 GLU H 1.0 1.8 5.65 411 280 A 19 ALA H A 14 LEU HDx% 1.0 1.8 5.38 412 280 A 14 LEU HDy% A 19 ALA H 1.0 1.8 5.38 413 281 A 51 TRP HD1 A 14 LEU HDx% 1.0 1.8 7.44 414 281 A 14 LEU HDy% A 51 TRP HD1 1.0 1.8 7.44 415 282 A 88 TRP H A 14 LEU HDx% 1.0 1.8 6.99 416 282 A 14 LEU HDy% A 88 TRP H 1.0 1.8 6.99 417 283 A 89 ASP HA A 14 LEU HDx% 1.0 1.8 5.01 418 283 A 14 LEU HDy% A 89 ASP HA 1.0 1.8 5.01 419 284 A 90 ALA HA A 14 LEU HDx% 1.0 1.8 6.62 420 284 A 14 LEU HDy% A 90 ALA HA 1.0 1.8 6.62 421 285 A 90 ALA HB% A 14 LEU HDx% 1.0 1.8 3.63 422 285 A 90 ALA HB% A 14 LEU HDy% 1.0 1.8 3.63 423 286 A 90 ALA H A 14 LEU HDx% 1.0 1.8 5.63 424 286 A 90 ALA H A 14 LEU HDy% 1.0 1.8 5.63 425 287 A 14 LEU HG A 15 THR H 1.0 1.8 5.60 426 288 A 14 LEU HG A 51 TRP HE1 1.0 1.8 7.50 427 289 A 89 ASP HA A 14 LEU HG 1.0 1.8 6.38 428 290 A 14 LEU HBx A 14 LEU H 1.0 1.8 5.86 429 291 A 14 LEU H A 14 LEU HDx% 1.0 1.8 6.90 430 292 A 14 LEU HDy% A 14 LEU H 1.0 1.8 6.90 431 293 A 14 LEU H A 14 LEU HDx% 1.0 1.8 5.61 432 293 A 14 LEU HDy% A 14 LEU H 1.0 1.8 5.61 433 294 A 14 LEU HG A 14 LEU H 1.0 1.8 5.82 434 295 A 14 LEU H A 15 THR H 1.0 1.8 6.01 435 296 A 14 LEU H A 88 TRP H 1.0 1.8 6.19 436 297 A 89 ASP HA A 14 LEU H 1.0 1.8 6.96 437 298 A 15 THR HG2% A 15 THR HA 1.0 1.8 5.22 438 299 A 51 TRP HE1 A 15 THR HA 1.0 1.8 5.41 439 300 A 15 THR HA A 87 ARG H 1.0 1.8 7.18 440 301 A 15 THR HB A 16 TYR HA 1.0 1.8 7.00 441 302 A 15 THR HB A 17 ALA HB% 1.0 1.8 6.48 442 303 A 15 THR HB A 17 ALA H 1.0 1.8 6.15 443 304 A 18 GLU H A 15 THR HB 1.0 1.8 6.33 444 305 A 15 THR HG2% A 18 GLU HGy 1.0 1.8 5.82 445 305 A 15 THR HG2% A 18 GLU HGx 1.0 1.8 5.82 446 306 A 15 THR HG2% A 18 GLU H 1.0 1.8 7.14 447 307 A 15 THR HG2% A 51 TRP HD1 1.0 1.8 7.50 448 308 A 15 THR HG2% A 51 TRP HE1 1.0 1.8 5.80 449 309 A 15 THR HG2% A 85 SER HA 1.0 1.8 5.25 450 310 A 15 THR HG2% A 85 SER HBx 1.0 1.8 5.83 451 310 A 15 THR HG2% A 85 SER HBy 1.0 1.8 5.83 452 311 A 15 THR HG2% A 85 SER H 1.0 1.8 6.90 453 312 A 15 THR HG2% A 15 THR H 1.0 1.8 5.25 454 313 A 15 THR H A 17 ALA H 1.0 1.8 6.87 455 314 A 15 THR H A 18 GLU HBx 1.0 1.8 5.89 456 315 A 15 THR H A 18 GLU HBy 1.0 1.8 5.93 457 316 A 15 THR H A 18 GLU HGy 1.0 1.8 5.23 458 316 A 15 THR H A 18 GLU HGx 1.0 1.8 5.23 459 317 A 15 THR H A 18 GLU H 1.0 1.8 6.22 460 318 A 15 THR H A 51 TRP HE1 1.0 1.8 7.14 461 319 A 16 TYR HA A 16 TYR HD% 1.0 1.8 5.47 462 320 A 16 TYR HA A 19 ALA HB% 1.0 1.8 5.63 463 321 A 16 TYR HA A 20 LYS H 1.0 1.8 6.42 464 322 A 16 TYR HA A 51 TRP HBx 1.0 1.8 6.87 465 323 A 16 TYR HA A 51 TRP HBy 1.0 1.8 6.87 466 324 A 16 TYR HA A 51 TRP HBx 1.0 1.8 6.23 467 324 A 16 TYR HA A 51 TRP HBy 1.0 1.8 6.23 468 325 A 51 TRP HE1 A 16 TYR HA 1.0 1.8 7.25 469 326 A 17 ALA H A 16 TYR HBx 1.0 1.8 5.74 470 327 A 16 TYR HBx A 51 TRP HA 1.0 1.8 6.29 471 328 A 16 TYR HBx A 51 TRP HBx 1.0 1.8 5.89 472 329 A 51 TRP HBy A 16 TYR HBx 1.0 1.8 5.89 473 330 A 16 TYR HBx A 84 ARG HA 1.0 1.8 6.70 474 331 A 16 TYR HBx A 84 ARG HBx 1.0 1.8 6.14 475 332 A 17 ALA H A 16 TYR HBy 1.0 1.8 5.47 476 333 A 16 TYR HD% A 17 ALA HA 1.0 1.8 6.26 477 334 A 17 ALA HB% A 16 TYR HD% 1.0 1.8 6.42 478 335 A 17 ALA H A 16 TYR HD% 1.0 1.8 5.86 479 336 A 16 TYR HD% A 20 LYS HDx 1.0 1.8 6.37 480 336 A 16 TYR HD% A 20 LYS HDy 1.0 1.8 6.37 481 337 A 16 TYR HD% A 30 LEU HDx% 1.0 1.8 6.27 482 337 A 16 TYR HD% A 30 LEU HDy% 1.0 1.8 6.27 483 338 A 16 TYR HD% A 51 TRP HA 1.0 1.8 6.56 484 339 A 16 TYR HD% A 51 TRP HBx 1.0 1.8 6.63 485 340 A 16 TYR HD% A 51 TRP HBy 1.0 1.8 6.63 486 341 A 16 TYR HD% A 51 TRP HBx 1.0 1.8 5.81 487 341 A 16 TYR HD% A 51 TRP HBy 1.0 1.8 5.81 488 342 A 51 TRP HE1 A 16 TYR HD% 1.0 1.8 7.03 489 343 A 16 TYR HD% A 84 ARG HDx 1.0 1.8 6.89 490 344 A 16 TYR HD% A 84 ARG HDy 1.0 1.8 6.89 491 345 A 16 TYR HD% A 84 ARG HDx 1.0 1.8 6.17 492 345 A 16 TYR HD% A 84 ARG HDy 1.0 1.8 6.17 493 346 A 84 ARG HA A 16 TYR H 1.0 1.8 5.51 494 347 A 19 ALA H A 17 ALA HA 1.0 1.8 6.29 495 348 A 17 ALA HA A 20 LYS HDx 1.0 1.8 5.36 496 348 A 17 ALA HA A 20 LYS HDy 1.0 1.8 5.36 497 349 A 20 LYS H A 17 ALA HA 1.0 1.8 5.42 498 350 A 17 ALA HB% A 18 GLU HGy 1.0 1.8 5.77 499 350 A 18 GLU HGx A 17 ALA HB% 1.0 1.8 5.77 500 351 A 18 GLU H A 17 ALA HB% 1.0 1.8 5.00 501 352 A 17 ALA HB% A 17 ALA H 1.0 1.8 3.79 502 353 A 18 GLU H A 17 ALA H 1.0 1.8 5.43 503 354 A 17 ALA H A 19 ALA HB% 1.0 1.8 7.00 504 355 A 17 ALA H A 84 ARG HBx 1.0 1.8 6.25 505 356 A 18 GLU HGx A 18 GLU HA 1.0 1.8 5.51 506 357 A 18 GLU HA A 18 GLU HGy 1.0 1.8 5.51 507 358 A 18 GLU HA A 18 GLU HGy 1.0 1.8 3.71 508 358 A 18 GLU HGx A 18 GLU HA 1.0 1.8 3.71 509 359 A 18 GLU HA A 21 ALA HB% 1.0 1.8 3.97 510 360 A 18 GLU HBx A 19 ALA HA 1.0 1.8 6.10 511 361 A 18 GLU HBx A 20 LYS H 1.0 1.8 6.44 512 362 A 18 GLU HBy A 18 GLU HGy 1.0 1.8 3.59 513 362 A 18 GLU HBy A 18 GLU HGx 1.0 1.8 3.59 514 363 A 18 GLU HBy A 19 ALA H 1.0 1.8 5.64 515 364 A 19 ALA H A 18 GLU HGy 1.0 1.8 5.16 516 364 A 18 GLU HGx A 19 ALA H 1.0 1.8 5.16 517 365 A 18 GLU HBx A 18 GLU H 1.0 1.8 6.12 518 366 A 18 GLU HBy A 18 GLU H 1.0 1.8 5.34 519 367 A 18 GLU H A 18 GLU HGy 1.0 1.8 3.72 520 367 A 18 GLU HGx A 18 GLU H 1.0 1.8 3.72 521 368 A 18 GLU H A 19 ALA H 1.0 1.8 5.16 522 369 A 18 GLU H A 20 LYS H 1.0 1.8 5.97 523 370 A 19 ALA HA A 20 LYS HA 1.0 1.8 5.90 524 371 A 19 ALA HA A 30 LEU HDx% 1.0 1.8 3.85 525 371 A 30 LEU HDy% A 19 ALA HA 1.0 1.8 3.85 526 372 A 90 ALA HB% A 19 ALA HA 1.0 1.8 5.39 527 373 A 19 ALA HB% A 20 LYS H 1.0 1.8 5.49 528 374 A 19 ALA HB% A 30 LEU HDx% 1.0 1.8 3.93 529 375 A 19 ALA HB% A 30 LEU HDy% 1.0 1.8 3.93 530 376 A 19 ALA HB% A 30 LEU HDx% 1.0 1.8 3.50 531 376 A 19 ALA HB% A 30 LEU HDy% 1.0 1.8 3.50 532 377 A 19 ALA HB% A 51 TRP HBx 1.0 1.8 5.53 533 378 A 19 ALA HB% A 51 TRP HBy 1.0 1.8 5.53 534 379 A 19 ALA HB% A 51 TRP HBx 1.0 1.8 5.09 535 379 A 19 ALA HB% A 51 TRP HBy 1.0 1.8 5.09 536 380 A 19 ALA HB% A 51 TRP H 1.0 1.8 5.96 537 381 A 90 ALA HA A 19 ALA HB% 1.0 1.8 5.94 538 382 A 90 ALA HB% A 19 ALA HB% 1.0 1.8 3.54 539 383 A 19 ALA HB% A 91 TYR H 1.0 1.8 6.37 540 384 A 19 ALA H A 19 ALA HB% 1.0 1.8 3.87 541 385 A 19 ALA H A 20 LYS H 1.0 1.8 5.45 542 386 A 19 ALA H A 30 LEU HDx% 1.0 1.8 6.21 543 386 A 19 ALA H A 30 LEU HDy% 1.0 1.8 6.21 544 387 A 90 ALA HB% A 19 ALA H 1.0 1.8 5.88 545 388 A 20 LYS HA A 20 LYS HDx 1.0 1.8 6.80 546 388 A 20 LYS HDy A 20 LYS HA 1.0 1.8 6.80 547 389 A 20 LYS HA A 20 LYS HGy 1.0 1.8 3.99 548 389 A 20 LYS HA A 20 LYS HGx 1.0 1.8 3.99 549 390 A 20 LYS HA A 23 CYS HBx 1.0 1.8 7.21 550 391 A 20 LYS HA A 23 CYS HBy 1.0 1.8 7.21 551 392 A 20 LYS HA A 23 CYS HBy 1.0 1.8 6.44 552 392 A 20 LYS HA A 23 CYS HBx 1.0 1.8 6.44 553 393 A 20 LYS HA A 23 CYS H 1.0 1.8 6.04 554 394 A 20 LYS HA A 24 GLU HGx 1.0 1.8 6.31 555 395 A 20 LYS HA A 24 GLU HGy 1.0 1.8 6.39 556 396 A 20 LYS HA A 30 LEU HBx 1.0 1.8 6.88 557 396 A 20 LYS HA A 30 LEU HBy 1.0 1.8 6.88 558 397 A 20 LYS HA A 30 LEU HDx% 1.0 1.8 5.35 559 398 A 30 LEU HDy% A 20 LYS HA 1.0 1.8 5.35 560 399 A 20 LYS HA A 30 LEU HDx% 1.0 1.8 3.91 561 399 A 30 LEU HDy% A 20 LYS HA 1.0 1.8 3.91 562 400 A 20 LYS HA A 30 LEU HG 1.0 1.8 5.38 563 401 A 20 LYS HA A 30 LEU H 1.0 1.8 6.91 564 402 A 21 ALA H A 20 LYS HBx 1.0 1.8 6.61 565 403 A 21 ALA H A 20 LYS HBy 1.0 1.8 6.61 566 404 A 20 LYS HBy A 20 LYS HEy 1.0 1.8 6.12 567 404 A 20 LYS HBx A 20 LYS HEy 1.0 1.8 6.12 568 404 A 20 LYS HEx A 20 LYS HBy 1.0 1.8 6.12 569 404 A 20 LYS HBx A 20 LYS HEx 1.0 1.8 6.12 570 405 A 20 LYS HBx A 20 LYS HGy 1.0 1.8 3.31 571 405 A 20 LYS HBy A 20 LYS HGy 1.0 1.8 3.31 572 405 A 20 LYS HGx A 20 LYS HBy 1.0 1.8 3.31 573 405 A 20 LYS HGx A 20 LYS HBx 1.0 1.8 3.31 574 406 A 21 ALA HA A 20 LYS HBy 1.0 1.8 5.87 575 406 A 20 LYS HBx A 21 ALA HA 1.0 1.8 5.87 576 407 A 21 ALA H A 20 LYS HBy 1.0 1.8 5.83 577 407 A 21 ALA H A 20 LYS HBx 1.0 1.8 5.83 578 408 A 20 LYS HBy A 23 CYS HBy 1.0 1.8 6.76 579 408 A 23 CYS HBx A 20 LYS HBy 1.0 1.8 6.76 580 408 A 23 CYS HBx A 20 LYS HBx 1.0 1.8 6.76 581 408 A 20 LYS HBx A 23 CYS HBy 1.0 1.8 6.76 582 409 A 23 CYS H A 20 LYS HBy 1.0 1.8 5.68 583 409 A 23 CYS H A 20 LYS HBx 1.0 1.8 5.68 584 410 A 24 GLU HGy A 20 LYS HBy 1.0 1.8 6.54 585 410 A 24 GLU HGy A 20 LYS HBx 1.0 1.8 6.54 586 411 A 20 LYS HBx A 30 LEU HDx% 1.0 1.8 5.08 587 411 A 20 LYS HBy A 30 LEU HDx% 1.0 1.8 5.08 588 411 A 30 LEU HDy% A 20 LYS HBy 1.0 1.8 5.08 589 411 A 30 LEU HDy% A 20 LYS HBx 1.0 1.8 5.08 590 412 A 20 LYS HDy A 30 LEU HDx% 1.0 1.8 3.79 591 412 A 20 LYS HDx A 30 LEU HDx% 1.0 1.8 3.79 592 412 A 30 LEU HDy% A 20 LYS HDx 1.0 1.8 3.79 593 412 A 20 LYS HDy A 30 LEU HDy% 1.0 1.8 3.79 594 413 A 20 LYS HEy A 20 LYS HGy 1.0 1.8 5.30 595 413 A 20 LYS HEx A 20 LYS HGy 1.0 1.8 5.30 596 413 A 20 LYS HGx A 20 LYS HEy 1.0 1.8 5.30 597 413 A 20 LYS HGx A 20 LYS HEx 1.0 1.8 5.30 598 414 A 21 ALA H A 20 LYS HGy 1.0 1.8 5.38 599 414 A 20 LYS HGx A 21 ALA H 1.0 1.8 5.38 600 415 A 24 GLU HGy A 20 LYS HGy 1.0 1.8 6.39 601 415 A 20 LYS HGx A 24 GLU HGy 1.0 1.8 6.39 602 416 A 20 LYS H A 20 LYS HBx 1.0 1.8 6.05 603 417 A 20 LYS H A 20 LYS HBy 1.0 1.8 6.05 604 418 A 20 LYS H A 20 LYS HBy 1.0 1.8 5.55 605 418 A 20 LYS H A 20 LYS HBx 1.0 1.8 5.55 606 419 A 20 LYS H A 20 LYS HDx 1.0 1.8 3.88 607 419 A 20 LYS H A 20 LYS HDy 1.0 1.8 3.88 608 420 A 20 LYS H A 20 LYS HGy 1.0 1.8 5.09 609 420 A 20 LYS H A 20 LYS HGx 1.0 1.8 5.09 610 421 A 20 LYS H A 21 ALA H 1.0 1.8 5.41 611 422 A 20 LYS H A 30 LEU HDx% 1.0 1.8 6.21 612 423 A 20 LYS H A 30 LEU HDy% 1.0 1.8 6.21 613 424 A 20 LYS H A 30 LEU HDx% 1.0 1.8 5.44 614 424 A 20 LYS H A 30 LEU HDy% 1.0 1.8 5.44 615 425 A 20 LYS H A 51 TRP HBx 1.0 1.8 7.34 616 425 A 20 LYS H A 51 TRP HBy 1.0 1.8 7.34 617 426 A 21 ALA HA A 24 GLU HBx 1.0 1.8 5.83 618 427 A 24 GLU HGy A 21 ALA HA 1.0 1.8 7.50 619 428 A 21 ALA HB% A 22 VAL HA 1.0 1.8 6.58 620 429 A 21 ALA HB% A 22 VAL H 1.0 1.8 3.98 621 430 A 21 ALA HB% A 21 ALA H 1.0 1.8 3.69 622 431 A 21 ALA H A 22 VAL H 1.0 1.8 5.09 623 432 A 22 VAL HGx% A 22 VAL HA 1.0 1.8 5.13 624 433 A 22 VAL HA A 22 VAL HGy% 1.0 1.8 5.13 625 434 A 22 VAL HA A 22 VAL HGy% 1.0 1.8 3.57 626 434 A 22 VAL HGx% A 22 VAL HA 1.0 1.8 3.57 627 435 A 22 VAL HA A 25 PHE HBx 1.0 1.8 5.63 628 436 A 22 VAL HA A 25 PHE HBy 1.0 1.8 6.12 629 437 A 22 VAL HA A 25 PHE H 1.0 1.8 6.41 630 438 A 22 VAL HB A 23 CYS H 1.0 1.8 5.25 631 439 A 23 CYS HA A 22 VAL HGy% 1.0 1.8 5.81 632 439 A 22 VAL HGx% A 23 CYS HA 1.0 1.8 5.81 633 440 A 22 VAL HGx% A 23 CYS HBy 1.0 1.8 5.98 634 440 A 23 CYS HBx A 22 VAL HGy% 1.0 1.8 5.98 635 440 A 22 VAL HGx% A 23 CYS HBx 1.0 1.8 5.98 636 440 A 22 VAL HGy% A 23 CYS HBy 1.0 1.8 5.98 637 441 A 23 CYS H A 22 VAL HGy% 1.0 1.8 5.16 638 441 A 22 VAL HGx% A 23 CYS H 1.0 1.8 5.16 639 442 A 25 PHE HBx A 22 VAL HGy% 1.0 1.8 6.94 640 442 A 22 VAL HGx% A 25 PHE HBx 1.0 1.8 6.94 641 443 A 25 PHE HBy A 22 VAL HGy% 1.0 1.8 6.89 642 443 A 22 VAL HGx% A 25 PHE HBy 1.0 1.8 6.89 643 444 A 22 VAL HB A 22 VAL H 1.0 1.8 3.84 644 445 A 22 VAL HGx% A 22 VAL H 1.0 1.8 5.10 645 446 A 22 VAL H A 22 VAL HGy% 1.0 1.8 5.10 646 447 A 22 VAL H A 23 CYS HBy 1.0 1.8 6.37 647 447 A 23 CYS HBx A 22 VAL H 1.0 1.8 6.37 648 448 A 23 CYS H A 22 VAL H 1.0 1.8 3.98 649 449 A 23 CYS HA A 92 CYS HA 1.0 1.8 6.83 650 450 A 23 CYS HA A 92 CYS HBy 1.0 1.8 6.71 651 450 A 23 CYS HA A 92 CYS HBx 1.0 1.8 6.71 652 451 A 23 CYS HBx A 24 GLU H 1.0 1.8 5.15 653 452 A 23 CYS HBx A 30 LEU HG 1.0 1.8 7.50 654 453 A 24 GLU H A 23 CYS HBy 1.0 1.8 5.15 655 454 A 30 LEU HG A 23 CYS HBy 1.0 1.8 7.50 656 455 A 29 HIS HA A 23 CYS HBy 1.0 1.8 5.51 657 455 A 23 CYS HBx A 29 HIS HA 1.0 1.8 5.51 658 456 A 23 CYS HBy A 29 HIS HBx 1.0 1.8 5.94 659 456 A 23 CYS HBx A 29 HIS HBx 1.0 1.8 5.94 660 456 A 29 HIS HBy A 23 CYS HBy 1.0 1.8 5.94 661 456 A 23 CYS HBx A 29 HIS HBy 1.0 1.8 5.94 662 457 A 29 HIS H A 23 CYS HBy 1.0 1.8 6.31 663 457 A 23 CYS HBx A 29 HIS H 1.0 1.8 6.31 664 458 A 30 LEU H A 23 CYS HBy 1.0 1.8 5.94 665 458 A 23 CYS HBx A 30 LEU H 1.0 1.8 5.94 666 459 A 92 CYS HA A 23 CYS HBy 1.0 1.8 6.13 667 459 A 23 CYS HBx A 92 CYS HA 1.0 1.8 6.13 668 460 A 23 CYS HBx A 92 CYS HBy 1.0 1.8 6.07 669 460 A 23 CYS HBy A 92 CYS HBy 1.0 1.8 6.07 670 460 A 92 CYS HBx A 23 CYS HBy 1.0 1.8 6.07 671 460 A 23 CYS HBx A 92 CYS HBx 1.0 1.8 6.07 672 461 A 23 CYS HBx A 23 CYS H 1.0 1.8 5.34 673 462 A 23 CYS H A 23 CYS HBy 1.0 1.8 5.34 674 463 A 23 CYS H A 23 CYS HBy 1.0 1.8 3.91 675 463 A 23 CYS HBx A 23 CYS H 1.0 1.8 3.91 676 464 A 23 CYS H A 25 PHE H 1.0 1.8 6.76 677 465 A 23 CYS H A 30 LEU H 1.0 1.8 6.69 678 466 A 24 GLU HGx A 24 GLU HA 1.0 1.8 5.30 679 467 A 24 GLU HGy A 24 GLU HA 1.0 1.8 5.80 680 468 A 24 GLU HA A 26 GLU H 1.0 1.8 6.97 681 469 A 24 GLU HA A 27 GLY H 1.0 1.8 5.83 682 470 A 24 GLU HA A 28 GLY H 1.0 1.8 5.48 683 471 A 24 GLU HBx A 25 PHE HBx 1.0 1.8 6.99 684 472 A 25 PHE H A 24 GLU HBy 1.0 1.8 6.27 685 473 A 28 GLY H A 24 GLU HBy 1.0 1.8 6.73 686 474 A 24 GLU HGx A 25 PHE H 1.0 1.8 6.86 687 475 A 24 GLU HGx A 29 HIS HA 1.0 1.8 5.69 688 476 A 24 GLU HGx A 30 LEU H 1.0 1.8 6.05 689 477 A 24 GLU HGy A 29 HIS HA 1.0 1.8 6.35 690 478 A 24 GLU HBx A 24 GLU H 1.0 1.8 5.98 691 479 A 24 GLU H A 24 GLU HBy 1.0 1.8 5.99 692 480 A 24 GLU HGx A 24 GLU H 1.0 1.8 6.29 693 481 A 24 GLU HGy A 24 GLU H 1.0 1.8 6.06 694 482 A 25 PHE HBx A 24 GLU H 1.0 1.8 5.94 695 483 A 25 PHE HBy A 24 GLU H 1.0 1.8 5.68 696 484 A 25 PHE H A 24 GLU H 1.0 1.8 5.54 697 485 A 24 GLU H A 26 GLU H 1.0 1.8 5.28 698 486 A 25 PHE HA A 25 PHE HD% 1.0 1.8 5.47 699 487 A 25 PHE HBx A 26 GLU HGx 1.0 1.8 7.13 700 488 A 25 PHE HBx A 26 GLU H 1.0 1.8 6.48 701 489 A 25 PHE HBy A 26 GLU HBy 1.0 1.8 7.11 702 490 A 25 PHE HBy A 26 GLU H 1.0 1.8 6.63 703 491 A 25 PHE HD% A 26 GLU HGx 1.0 1.8 5.58 704 492 A 25 PHE HD% A 26 GLU HGy 1.0 1.8 6.12 705 493 A 25 PHE HE% A 26 GLU HA 1.0 1.8 6.27 706 494 A 26 GLU HBy A 25 PHE HE% 1.0 1.8 6.32 707 495 A 25 PHE HBx A 25 PHE H 1.0 1.8 5.87 708 496 A 25 PHE HBy A 25 PHE H 1.0 1.8 5.72 709 497 A 25 PHE H A 26 GLU H 1.0 1.8 6.35 710 498 A 25 PHE H A 27 GLY H 1.0 1.8 6.74 711 499 A 26 GLU HGx A 26 GLU HA 1.0 1.8 5.17 712 500 A 26 GLU HGx A 26 GLU HBx 1.0 1.8 3.81 713 501 A 27 GLY H A 26 GLU HBx 1.0 1.8 6.11 714 502 A 28 GLY H A 26 GLU HBy 1.0 1.8 6.58 715 503 A 27 GLY H A 26 GLU HGx 1.0 1.8 6.02 716 504 A 27 GLY H A 26 GLU HGy 1.0 1.8 6.59 717 505 A 26 GLU HGy A 28 GLY HAx 1.0 1.8 6.41 718 505 A 26 GLU HGy A 28 GLY HAy 1.0 1.8 6.41 719 506 A 28 GLY H A 26 GLU HGy 1.0 1.8 6.58 720 507 A 29 HIS H A 26 GLU HGy 1.0 1.8 6.32 721 508 A 26 GLU H A 26 GLU HBx 1.0 1.8 5.86 722 509 A 26 GLU H A 26 GLU HGx 1.0 1.8 6.04 723 510 A 26 GLU H A 27 GLY HAy 1.0 1.8 7.21 724 511 A 26 GLU H A 27 GLY HAx 1.0 1.8 7.21 725 512 A 26 GLU H A 27 GLY HAx 1.0 1.8 6.44 726 512 A 26 GLU H A 27 GLY HAy 1.0 1.8 6.44 727 513 A 26 GLU H A 27 GLY H 1.0 1.8 5.67 728 514 A 26 GLU H A 28 GLY H 1.0 1.8 6.14 729 515 A 29 HIS H A 28 GLY HAy 1.0 1.8 5.52 730 516 A 28 GLY HAy A 94 ASN HA 1.0 1.8 6.29 731 517 A 29 HIS H A 28 GLY HAx 1.0 1.8 5.52 732 518 A 94 ASN HA A 28 GLY HAx 1.0 1.8 6.29 733 519 A 94 ASN HA A 28 GLY HAx 1.0 1.8 5.56 734 519 A 28 GLY HAy A 94 ASN HA 1.0 1.8 5.56 735 520 A 29 HIS HA A 28 GLY H 1.0 1.8 7.23 736 521 A 29 HIS H A 28 GLY H 1.0 1.8 6.44 737 522 A 28 GLY H A 94 ASN HBx 1.0 1.8 7.50 738 522 A 28 GLY H A 94 ASN HBy 1.0 1.8 7.50 739 523 A 28 GLY H A 94 ASN HD2x 1.0 1.8 6.96 740 523 A 28 GLY H A 94 ASN HD2y 1.0 1.8 6.96 741 524 A 30 LEU H A 29 HIS HA 1.0 1.8 5.31 742 525 A 30 LEU H A 29 HIS HBx 1.0 1.8 5.59 743 526 A 30 LEU H A 29 HIS HBy 1.0 1.8 5.59 744 527 A 29 HIS HE1 A 29 HIS HBx 1.0 1.8 6.62 745 527 A 29 HIS HBy A 29 HIS HE1 1.0 1.8 6.62 746 528 A 29 HIS HBy A 30 LEU HBx 1.0 1.8 7.18 747 528 A 29 HIS HBx A 30 LEU HBx 1.0 1.8 7.18 748 528 A 30 LEU HBy A 29 HIS HBx 1.0 1.8 7.18 749 528 A 30 LEU HBy A 29 HIS HBy 1.0 1.8 7.18 750 529 A 30 LEU H A 29 HIS HBx 1.0 1.8 5.13 751 529 A 30 LEU H A 29 HIS HBy 1.0 1.8 5.13 752 530 A 29 HIS H A 29 HIS HBx 1.0 1.8 5.65 753 530 A 29 HIS HBy A 29 HIS H 1.0 1.8 5.65 754 531 A 30 LEU H A 29 HIS H 1.0 1.8 5.93 755 532 A 92 CYS HA A 29 HIS H 1.0 1.8 6.80 756 533 A 93 TYR HE% A 29 HIS H 1.0 1.8 7.41 757 534 A 30 LEU HA A 31 ALA HA 1.0 1.8 6.37 758 535 A 31 ALA HB% A 30 LEU HA 1.0 1.8 5.90 759 536 A 31 ALA H A 30 LEU HA 1.0 1.8 5.15 760 537 A 93 TYR HBy A 30 LEU HA 1.0 1.8 6.88 761 538 A 53 ALA HA A 30 LEU HBx 1.0 1.8 6.24 762 539 A 30 LEU HBy A 53 ALA HA 1.0 1.8 6.24 763 540 A 31 ALA H A 30 LEU HBx 1.0 1.8 6.00 764 540 A 31 ALA H A 30 LEU HBy 1.0 1.8 6.00 765 541 A 52 MET HA A 30 LEU HBx 1.0 1.8 7.08 766 541 A 30 LEU HBy A 52 MET HA 1.0 1.8 7.08 767 542 A 90 ALA HA A 30 LEU HDx% 1.0 1.8 7.30 768 543 A 90 ALA HA A 30 LEU HDy% 1.0 1.8 7.30 769 544 A 31 ALA HA A 30 LEU HDx% 1.0 1.8 6.32 770 544 A 30 LEU HDy% A 31 ALA HA 1.0 1.8 6.32 771 545 A 31 ALA HB% A 30 LEU HDx% 1.0 1.8 5.02 772 545 A 31 ALA HB% A 30 LEU HDy% 1.0 1.8 5.02 773 546 A 31 ALA H A 30 LEU HDx% 1.0 1.8 5.74 774 546 A 31 ALA H A 30 LEU HDy% 1.0 1.8 5.74 775 547 A 52 MET HA A 30 LEU HDx% 1.0 1.8 6.05 776 547 A 30 LEU HDy% A 52 MET HA 1.0 1.8 6.05 777 548 A 52 MET HBy A 30 LEU HDx% 1.0 1.8 5.39 778 548 A 30 LEU HDy% A 52 MET HBy 1.0 1.8 5.39 779 549 A 53 ALA H A 30 LEU HDx% 1.0 1.8 5.85 780 549 A 30 LEU HDy% A 53 ALA H 1.0 1.8 5.85 781 550 A 54 LYS H A 30 LEU HDx% 1.0 1.8 6.27 782 550 A 30 LEU HDy% A 54 LYS H 1.0 1.8 6.27 783 551 A 90 ALA HA A 30 LEU HDx% 1.0 1.8 6.24 784 551 A 90 ALA HA A 30 LEU HDy% 1.0 1.8 6.24 785 552 A 91 TYR HA A 30 LEU HDx% 1.0 1.8 6.56 786 552 A 30 LEU HDy% A 91 TYR HA 1.0 1.8 6.56 787 553 A 91 TYR HBx A 30 LEU HDx% 1.0 1.8 6.90 788 553 A 30 LEU HDy% A 91 TYR HBx 1.0 1.8 6.90 789 554 A 91 TYR H A 30 LEU HDx% 1.0 1.8 6.00 790 554 A 30 LEU HDy% A 91 TYR H 1.0 1.8 6.00 791 555 A 92 CYS HA A 30 LEU HDx% 1.0 1.8 5.91 792 555 A 30 LEU HDy% A 92 CYS HA 1.0 1.8 5.91 793 556 A 30 LEU H A 30 LEU HBx 1.0 1.8 5.28 794 556 A 30 LEU HBy A 30 LEU H 1.0 1.8 5.28 795 557 A 30 LEU H A 30 LEU HDx% 1.0 1.8 5.37 796 557 A 30 LEU HDy% A 30 LEU H 1.0 1.8 5.37 797 558 A 30 LEU HG A 30 LEU H 1.0 1.8 6.25 798 559 A 30 LEU H A 31 ALA HA 1.0 1.8 7.01 799 560 A 30 LEU H A 53 ALA HA 1.0 1.8 7.50 800 561 A 31 ALA HA A 32 THR HB 1.0 1.8 6.70 801 562 A 32 THR H A 31 ALA HA 1.0 1.8 5.17 802 563 A 31 ALA HA A 35 GLN HBx 1.0 1.8 6.24 803 563 A 31 ALA HA A 35 GLN HBy 1.0 1.8 6.24 804 564 A 36 LEU HDy% A 31 ALA HA 1.0 1.8 6.13 805 565 A 93 TYR HBx A 31 ALA HA 1.0 1.8 5.56 806 566 A 93 TYR HBy A 31 ALA HA 1.0 1.8 5.75 807 567 A 93 TYR HE% A 31 ALA HA 1.0 1.8 6.48 808 568 A 93 TYR H A 31 ALA HA 1.0 1.8 6.29 809 569 A 31 ALA HB% A 35 GLN HE2y 1.0 1.8 6.24 810 570 A 31 ALA HB% A 91 TYR HBx 1.0 1.8 5.35 811 571 A 31 ALA HB% A 91 TYR HBy 1.0 1.8 5.96 812 572 A 31 ALA HB% A 92 CYS HA 1.0 1.8 5.99 813 573 A 31 ALA HB% A 92 CYS H 1.0 1.8 5.58 814 574 A 31 ALA HB% A 93 TYR HBx 1.0 1.8 5.22 815 575 A 31 ALA HB% A 93 TYR HBy 1.0 1.8 5.46 816 576 A 31 ALA HB% A 93 TYR HD% 1.0 1.8 6.22 817 577 A 31 ALA HB% A 93 TYR H 1.0 1.8 6.06 818 578 A 31 ALA HB% A 31 ALA H 1.0 1.8 5.13 819 579 A 31 ALA H A 32 THR H 1.0 1.8 6.02 820 580 A 31 ALA H A 53 ALA H 1.0 1.8 6.55 821 581 A 31 ALA H A 91 TYR HBx 1.0 1.8 6.06 822 582 A 31 ALA H A 91 TYR HBy 1.0 1.8 6.03 823 583 A 31 ALA H A 92 CYS HA 1.0 1.8 5.61 824 584 A 93 TYR HD% A 31 ALA H 1.0 1.8 7.22 825 585 A 32 THR HA A 32 THR HG2% 1.0 1.8 5.41 826 586 A 32 THR HA A 33 TYR H 1.0 1.8 5.28 827 587 A 32 THR HA A 52 MET HE% 1.0 1.8 6.47 828 588 A 32 THR HA A 53 ALA HB% 1.0 1.8 5.10 829 589 A 53 ALA H A 32 THR HA 1.0 1.8 5.97 830 590 A 32 THR HB A 33 TYR H 1.0 1.8 5.39 831 591 A 32 THR HB A 34 LYS HBy 1.0 1.8 6.93 832 591 A 32 THR HB A 34 LYS HBx 1.0 1.8 6.93 833 592 A 32 THR HB A 34 LYS H 1.0 1.8 5.61 834 593 A 32 THR HB A 35 GLN HGx 1.0 1.8 6.90 835 594 A 32 THR HB A 35 GLN H 1.0 1.8 6.42 836 595 A 32 THR HB A 36 LEU H 1.0 1.8 7.49 837 596 A 32 THR HB A 52 MET HE% 1.0 1.8 6.68 838 597 A 32 THR HG2% A 33 TYR HA 1.0 1.8 6.16 839 598 A 32 THR HG2% A 34 LYS H 1.0 1.8 6.18 840 599 A 32 THR HG2% A 35 GLN HA 1.0 1.8 6.22 841 600 A 35 GLN HE2y A 32 THR HG2% 1.0 1.8 7.00 842 601 A 32 THR H A 32 THR HG2% 1.0 1.8 5.27 843 602 A 32 THR H A 34 LYS HBy 1.0 1.8 7.15 844 602 A 32 THR H A 34 LYS HBx 1.0 1.8 7.15 845 603 A 32 THR H A 35 GLN HA 1.0 1.8 6.59 846 604 A 32 THR H A 35 GLN HBx 1.0 1.8 5.50 847 604 A 32 THR H A 35 GLN HBy 1.0 1.8 5.50 848 605 A 32 THR H A 35 GLN HE2y 1.0 1.8 6.61 849 606 A 32 THR H A 35 GLN HE2x 1.0 1.8 6.86 850 607 A 32 THR H A 35 GLN HGy 1.0 1.8 6.03 851 608 A 32 THR H A 35 GLN H 1.0 1.8 6.55 852 609 A 32 THR H A 36 LEU HDx% 1.0 1.8 6.81 853 610 A 32 THR H A 36 LEU HDy% 1.0 1.8 7.23 854 611 A 32 THR H A 36 LEU HG 1.0 1.8 5.17 855 612 A 32 THR H A 52 MET HBy 1.0 1.8 6.13 856 613 A 32 THR H A 52 MET HE% 1.0 1.8 6.84 857 614 A 93 TYR HBy A 32 THR H 1.0 1.8 6.37 858 615 A 33 TYR HA A 33 TYR HD% 1.0 1.8 6.29 859 616 A 33 TYR HA A 36 LEU HDx% 1.0 1.8 6.74 860 617 A 33 TYR HA A 37 GLU H 1.0 1.8 6.21 861 618 A 52 MET HE% A 33 TYR HA 1.0 1.8 5.07 862 619 A 33 TYR HA A 75 ILE HG2% 1.0 1.8 7.06 863 620 A 34 LYS H A 33 TYR HBx 1.0 1.8 5.70 864 621 A 56 ARG HBy A 33 TYR HBx 1.0 1.8 6.50 865 622 A 34 LYS H A 33 TYR HBy 1.0 1.8 5.70 866 623 A 56 ARG HBy A 33 TYR HBy 1.0 1.8 6.50 867 624 A 34 LYS H A 33 TYR HBy 1.0 1.8 5.10 868 624 A 34 LYS H A 33 TYR HBx 1.0 1.8 5.10 869 625 A 52 MET HE% A 33 TYR HBy 1.0 1.8 5.46 870 625 A 52 MET HE% A 33 TYR HBx 1.0 1.8 5.46 871 626 A 33 TYR HD% A 34 LYS HA 1.0 1.8 6.20 872 627 A 34 LYS H A 33 TYR HD% 1.0 1.8 6.14 873 628 A 52 MET HE% A 33 TYR HD% 1.0 1.8 5.65 874 629 A 33 TYR HD% A 56 ARG HDy 1.0 1.8 5.89 875 630 A 33 TYR HD% A 75 ILE HD1% 1.0 1.8 6.81 876 631 A 33 TYR HE% A 75 ILE HB 1.0 1.8 6.45 877 632 A 75 ILE HG2% A 33 TYR HE% 1.0 1.8 5.74 878 633 A 33 TYR HE% A 77 ASP HBx 1.0 1.8 7.50 879 634 A 33 TYR HE% A 77 ASP HBy 1.0 1.8 7.50 880 635 A 33 TYR HE% A 77 ASP HBy 1.0 1.8 6.76 881 635 A 33 TYR HE% A 77 ASP HBx 1.0 1.8 6.76 882 636 A 33 TYR H A 33 TYR HBx 1.0 1.8 5.41 883 637 A 33 TYR H A 33 TYR HBy 1.0 1.8 5.41 884 638 A 33 TYR H A 33 TYR HD% 1.0 1.8 6.28 885 639 A 33 TYR H A 34 LYS H 1.0 1.8 5.44 886 640 A 36 LEU HBx A 33 TYR H 1.0 1.8 5.67 887 641 A 33 TYR H A 53 ALA HB% 1.0 1.8 6.83 888 642 A 33 TYR H A 56 ARG HBy 1.0 1.8 5.78 889 643 A 34 LYS HA A 34 LYS HBy 1.0 1.8 3.61 890 643 A 34 LYS HBx A 34 LYS HA 1.0 1.8 3.61 891 644 A 34 LYS HA A 34 LYS HGy 1.0 1.8 5.05 892 644 A 34 LYS HA A 34 LYS HGx 1.0 1.8 5.05 893 645 A 34 LYS HA A 37 GLU HBx 1.0 1.8 7.26 894 646 A 34 LYS HA A 37 GLU HBy 1.0 1.8 6.41 895 647 A 34 LYS HBx A 34 LYS HEy 1.0 1.8 6.68 896 647 A 34 LYS HBx A 34 LYS HEx 1.0 1.8 6.68 897 648 A 34 LYS HEy A 34 LYS HBy 1.0 1.8 6.68 898 648 A 34 LYS HBy A 34 LYS HEx 1.0 1.8 6.68 899 649 A 34 LYS HBx A 34 LYS HEx 1.0 1.8 6.04 900 649 A 34 LYS HBy A 34 LYS HEx 1.0 1.8 6.04 901 649 A 34 LYS HEy A 34 LYS HBy 1.0 1.8 6.04 902 649 A 34 LYS HBx A 34 LYS HEy 1.0 1.8 6.04 903 650 A 35 GLN H A 34 LYS HBy 1.0 1.8 5.45 904 650 A 34 LYS HBx A 35 GLN H 1.0 1.8 5.45 905 651 A 34 LYS HEy A 34 LYS HDx 1.0 1.8 3.69 906 651 A 34 LYS HDx A 34 LYS HEx 1.0 1.8 3.69 907 652 A 34 LYS HEy A 34 LYS HDy 1.0 1.8 3.69 908 652 A 34 LYS HDy A 34 LYS HEx 1.0 1.8 3.69 909 653 A 34 LYS HGx A 34 LYS HEy 1.0 1.8 5.85 910 653 A 34 LYS HGx A 34 LYS HEx 1.0 1.8 5.85 911 654 A 34 LYS HEx A 34 LYS HGy 1.0 1.8 5.85 912 654 A 34 LYS HEy A 34 LYS HGy 1.0 1.8 5.85 913 655 A 34 LYS HDy A 34 LYS HGy 1.0 1.8 3.06 914 655 A 34 LYS HDx A 34 LYS HGy 1.0 1.8 3.06 915 655 A 34 LYS HGx A 34 LYS HDx 1.0 1.8 3.06 916 655 A 34 LYS HGx A 34 LYS HDy 1.0 1.8 3.06 917 656 A 34 LYS HEx A 34 LYS HGy 1.0 1.8 5.14 918 656 A 34 LYS HEy A 34 LYS HGy 1.0 1.8 5.14 919 656 A 34 LYS HGx A 34 LYS HEx 1.0 1.8 5.14 920 656 A 34 LYS HGx A 34 LYS HEy 1.0 1.8 5.14 921 657 A 35 GLN H A 34 LYS HGy 1.0 1.8 5.37 922 657 A 35 GLN H A 34 LYS HGx 1.0 1.8 5.37 923 658 A 34 LYS HBx A 34 LYS H 1.0 1.8 5.61 924 659 A 34 LYS H A 34 LYS HBy 1.0 1.8 5.61 925 660 A 34 LYS H A 34 LYS HBy 1.0 1.8 3.81 926 660 A 34 LYS HBx A 34 LYS H 1.0 1.8 3.81 927 661 A 34 LYS H A 34 LYS HGx 1.0 1.8 6.70 928 662 A 34 LYS H A 34 LYS HGy 1.0 1.8 6.70 929 663 A 34 LYS H A 34 LYS HGy 1.0 1.8 6.10 930 663 A 34 LYS H A 34 LYS HGx 1.0 1.8 6.10 931 664 A 34 LYS H A 35 GLN H 1.0 1.8 5.81 932 665 A 35 GLN HE2y A 35 GLN HA 1.0 1.8 6.81 933 666 A 35 GLN HGx A 35 GLN HA 1.0 1.8 5.23 934 667 A 35 GLN HA A 35 GLN HGy 1.0 1.8 6.04 935 668 A 36 LEU H A 35 GLN HBx 1.0 1.8 6.07 936 669 A 35 GLN HBy A 36 LEU H 1.0 1.8 6.07 937 670 A 35 GLN HE2y A 35 GLN HBx 1.0 1.8 7.03 938 670 A 35 GLN HBy A 35 GLN HE2y 1.0 1.8 7.03 939 671 A 36 LEU H A 35 GLN HBx 1.0 1.8 5.40 940 671 A 35 GLN HBy A 36 LEU H 1.0 1.8 5.40 941 672 A 36 LEU H A 35 GLN HGy 1.0 1.8 5.88 942 673 A 35 GLN H A 35 GLN HBx 1.0 1.8 5.31 943 673 A 35 GLN HBy A 35 GLN H 1.0 1.8 5.31 944 674 A 35 GLN HE2y A 35 GLN H 1.0 1.8 6.52 945 675 A 35 GLN HGx A 35 GLN H 1.0 1.8 6.65 946 676 A 35 GLN H A 35 GLN HGy 1.0 1.8 5.39 947 677 A 35 GLN H A 36 LEU HG 1.0 1.8 5.93 948 678 A 35 GLN H A 36 LEU H 1.0 1.8 5.44 949 679 A 36 LEU HA A 36 LEU HDx% 1.0 1.8 6.10 950 680 A 36 LEU HA A 36 LEU HDy% 1.0 1.8 5.17 951 681 A 36 LEU HA A 40 ARG H 1.0 1.8 5.79 952 682 A 36 LEU HBx A 36 LEU HDx% 1.0 1.8 5.80 953 683 A 36 LEU HBx A 36 LEU HDy% 1.0 1.8 6.02 954 684 A 36 LEU HBx A 37 GLU H 1.0 1.8 5.84 955 685 A 36 LEU HBx A 75 ILE HD1% 1.0 1.8 5.25 956 686 A 36 LEU HDx% A 36 LEU HBy 1.0 1.8 5.04 957 687 A 36 LEU HDy% A 36 LEU HBy 1.0 1.8 5.28 958 688 A 52 MET HE% A 36 LEU HDx% 1.0 1.8 3.78 959 689 A 36 LEU HDx% A 52 MET HGx 1.0 1.8 6.98 960 690 A 36 LEU HDx% A 52 MET HGy 1.0 1.8 6.98 961 691 A 36 LEU HDy% A 37 GLU H 1.0 1.8 6.98 962 692 A 36 LEU HDy% A 44 PHE HBx 1.0 1.8 7.50 963 693 A 36 LEU HDy% A 44 PHE HD% 1.0 1.8 5.50 964 694 A 36 LEU HDy% A 44 PHE HE% 1.0 1.8 5.40 965 695 A 36 LEU HDy% A 52 MET HE% 1.0 1.8 6.35 966 696 A 36 LEU HDy% A 52 MET HGy 1.0 1.8 7.34 967 696 A 36 LEU HDy% A 52 MET HGx 1.0 1.8 7.34 968 697 A 36 LEU HDy% A 91 TYR HBx 1.0 1.8 6.53 969 698 A 36 LEU HDy% A 91 TYR HBy 1.0 1.8 6.20 970 699 A 52 MET HE% A 36 LEU HG 1.0 1.8 6.08 971 700 A 36 LEU HG A 75 ILE HG2% 1.0 1.8 6.84 972 701 A 36 LEU HBx A 36 LEU H 1.0 1.8 5.98 973 702 A 36 LEU H A 36 LEU HBy 1.0 1.8 5.71 974 703 A 36 LEU H A 36 LEU HDx% 1.0 1.8 5.94 975 704 A 36 LEU HDy% A 36 LEU H 1.0 1.8 5.96 976 705 A 36 LEU H A 36 LEU HG 1.0 1.8 5.12 977 706 A 37 GLU HA A 37 GLU HGy 1.0 1.8 5.06 978 707 A 37 GLU HA A 40 ARG HBx 1.0 1.8 6.06 979 708 A 37 GLU HA A 40 ARG HBy 1.0 1.8 5.51 980 709 A 75 ILE HD1% A 37 GLU HA 1.0 1.8 5.60 981 710 A 75 ILE HD1% A 37 GLU HBx 1.0 1.8 6.05 982 711 A 37 GLU HBy A 38 ALA H 1.0 1.8 5.27 983 712 A 75 ILE HD1% A 37 GLU HBy 1.0 1.8 3.91 984 713 A 37 GLU HGx A 38 ALA HA 1.0 1.8 6.80 985 714 A 38 ALA H A 37 GLU HGx 1.0 1.8 6.04 986 715 A 37 GLU HGy A 38 ALA HA 1.0 1.8 5.43 987 716 A 37 GLU HGy A 38 ALA H 1.0 1.8 5.89 988 717 A 37 GLU H A 37 GLU HBx 1.0 1.8 5.87 989 718 A 37 GLU H A 37 GLU HBy 1.0 1.8 5.04 990 719 A 37 GLU H A 37 GLU HGx 1.0 1.8 5.94 991 720 A 37 GLU H A 37 GLU HGy 1.0 1.8 6.82 992 721 A 37 GLU H A 38 ALA H 1.0 1.8 5.48 993 722 A 39 ALA H A 37 GLU H 1.0 1.8 7.50 994 723 A 37 GLU H A 75 ILE HD1% 1.0 1.8 5.69 995 724 A 39 ALA H A 38 ALA HB% 1.0 1.8 5.55 996 725 A 38 ALA H A 38 ALA HB% 1.0 1.8 3.75 997 726 A 39 ALA H A 38 ALA H 1.0 1.8 5.35 998 727 A 40 ARG H A 38 ALA H 1.0 1.8 6.14 999 728 A 75 ILE HD1% A 38 ALA H 1.0 1.8 6.74 1000 729 A 39 ALA HA A 41 LYS H 1.0 1.8 6.28 1001 730 A 39 ALA HA A 42 ILE HD1% 1.0 1.8 5.42 1002 731 A 39 ALA HA A 42 ILE HG1y 1.0 1.8 5.42 1003 731 A 39 ALA HA A 42 ILE HG1x 1.0 1.8 5.42 1004 732 A 39 ALA HA A 42 ILE HG1y 1.0 1.8 5.57 1005 732 A 39 ALA HA A 42 ILE HG1x 1.0 1.8 5.57 1006 733 A 39 ALA HA A 42 ILE H 1.0 1.8 5.81 1007 734 A 39 ALA HB% A 40 ARG H 1.0 1.8 6.12 1008 735 A 39 ALA HB% A 41 LYS H 1.0 1.8 6.96 1009 736 A 39 ALA HB% A 42 ILE HD1% 1.0 1.8 5.76 1010 737 A 39 ALA HB% A 44 PHE HBx 1.0 1.8 5.68 1011 738 A 39 ALA HB% A 44 PHE HBy 1.0 1.8 5.77 1012 739 A 39 ALA HB% A 44 PHE HD% 1.0 1.8 5.74 1013 740 A 39 ALA HB% A 44 PHE H 1.0 1.8 6.13 1014 741 A 39 ALA HB% A 39 ALA H 1.0 1.8 3.80 1015 742 A 39 ALA H A 40 ARG HBx 1.0 1.8 6.52 1016 743 A 39 ALA H A 40 ARG HGx 1.0 1.8 6.93 1017 744 A 39 ALA H A 40 ARG H 1.0 1.8 5.52 1018 745 A 39 ALA H A 41 LYS H 1.0 1.8 6.78 1019 746 A 40 ARG HGx A 40 ARG HA 1.0 1.8 5.50 1020 747 A 44 PHE HBx A 40 ARG HA 1.0 1.8 5.74 1021 748 A 44 PHE HBy A 40 ARG HA 1.0 1.8 6.11 1022 749 A 44 PHE H A 40 ARG HA 1.0 1.8 6.20 1023 750 A 40 ARG HBx A 41 LYS H 1.0 1.8 6.50 1024 751 A 75 ILE HD1% A 40 ARG HBx 1.0 1.8 5.82 1025 752 A 40 ARG HBy A 41 LYS H 1.0 1.8 6.34 1026 753 A 40 ARG HDy A 41 LYS HGy 1.0 1.8 6.31 1027 753 A 41 LYS HGx A 40 ARG HDy 1.0 1.8 6.31 1028 753 A 40 ARG HDx A 41 LYS HGx 1.0 1.8 6.31 1029 753 A 40 ARG HDx A 41 LYS HGy 1.0 1.8 6.31 1030 754 A 44 PHE HA A 40 ARG HDy 1.0 1.8 6.50 1031 754 A 40 ARG HDx A 44 PHE HA 1.0 1.8 6.50 1032 755 A 44 PHE HBy A 40 ARG HDy 1.0 1.8 3.86 1033 755 A 44 PHE HBy A 40 ARG HDx 1.0 1.8 3.86 1034 756 A 75 ILE HD1% A 40 ARG HDy 1.0 1.8 5.89 1035 756 A 75 ILE HD1% A 40 ARG HDx 1.0 1.8 5.89 1036 757 A 40 ARG HDx A 75 ILE HG1y 1.0 1.8 6.27 1037 757 A 40 ARG HDy A 75 ILE HG1y 1.0 1.8 6.27 1038 757 A 75 ILE HG1x A 40 ARG HDy 1.0 1.8 6.27 1039 757 A 40 ARG HDx A 75 ILE HG1x 1.0 1.8 6.27 1040 758 A 40 ARG HE A 74 GLY H 1.0 1.8 7.25 1041 759 A 40 ARG HE A 75 ILE HG1y 1.0 1.8 7.34 1042 759 A 75 ILE HG1x A 40 ARG HE 1.0 1.8 7.34 1043 760 A 40 ARG HE A 75 ILE H 1.0 1.8 6.63 1044 761 A 40 ARG HGy A 75 ILE HG1y 1.0 1.8 5.21 1045 761 A 75 ILE HG1x A 40 ARG HGy 1.0 1.8 5.21 1046 762 A 40 ARG H A 40 ARG HBx 1.0 1.8 5.29 1047 763 A 40 ARG H A 40 ARG HBy 1.0 1.8 6.20 1048 764 A 40 ARG H A 40 ARG HDy 1.0 1.8 5.55 1049 764 A 40 ARG H A 40 ARG HDx 1.0 1.8 5.55 1050 765 A 40 ARG H A 40 ARG HE 1.0 1.8 6.68 1051 766 A 40 ARG H A 40 ARG HGx 1.0 1.8 5.14 1052 767 A 40 ARG H A 41 LYS HGy 1.0 1.8 5.09 1053 767 A 40 ARG H A 41 LYS HGx 1.0 1.8 5.09 1054 768 A 40 ARG H A 41 LYS H 1.0 1.8 5.65 1055 769 A 40 ARG H A 42 ILE H 1.0 1.8 6.23 1056 770 A 40 ARG H A 44 PHE HBy 1.0 1.8 6.62 1057 771 A 40 ARG H A 44 PHE H 1.0 1.8 7.19 1058 772 A 40 ARG H A 75 ILE HD1% 1.0 1.8 6.51 1059 773 A 41 LYS HGx A 41 LYS HA 1.0 1.8 5.84 1060 774 A 41 LYS HA A 41 LYS HGy 1.0 1.8 5.84 1061 775 A 41 LYS HA A 41 LYS HGy 1.0 1.8 5.04 1062 775 A 41 LYS HGx A 41 LYS HA 1.0 1.8 5.04 1063 776 A 41 LYS HA A 43 GLY H 1.0 1.8 6.15 1064 777 A 41 LYS HBx A 41 LYS HEx 1.0 1.8 6.82 1065 777 A 41 LYS HBx A 41 LYS HEy 1.0 1.8 6.82 1066 778 A 42 ILE H A 41 LYS HBx 1.0 1.8 5.52 1067 779 A 43 GLY H A 41 LYS HBx 1.0 1.8 6.21 1068 780 A 41 LYS HBy A 41 LYS HEx 1.0 1.8 6.87 1069 780 A 41 LYS HEy A 41 LYS HBy 1.0 1.8 6.87 1070 781 A 42 ILE H A 41 LYS HBy 1.0 1.8 6.72 1071 782 A 41 LYS H A 41 LYS HBx 1.0 1.8 3.99 1072 783 A 41 LYS H A 41 LYS HBy 1.0 1.8 5.84 1073 784 A 41 LYS H A 41 LYS HGx 1.0 1.8 5.37 1074 785 A 41 LYS H A 41 LYS HGy 1.0 1.8 5.37 1075 786 A 41 LYS H A 41 LYS HGy 1.0 1.8 3.91 1076 786 A 41 LYS H A 41 LYS HGx 1.0 1.8 3.91 1077 787 A 41 LYS H A 42 ILE HB 1.0 1.8 6.58 1078 788 A 41 LYS H A 42 ILE HD1% 1.0 1.8 6.03 1079 789 A 41 LYS H A 42 ILE H 1.0 1.8 5.52 1080 790 A 41 LYS H A 43 GLY H 1.0 1.8 5.97 1081 791 A 41 LYS H A 44 PHE H 1.0 1.8 6.37 1082 792 A 42 ILE HB A 42 ILE HA 1.0 1.8 3.97 1083 793 A 42 ILE HD1% A 42 ILE HA 1.0 1.8 6.70 1084 794 A 42 ILE HA A 42 ILE HG1y 1.0 1.8 6.10 1085 794 A 42 ILE HG1x A 42 ILE HA 1.0 1.8 6.10 1086 795 A 42 ILE HA A 42 ILE HG1y 1.0 1.8 6.22 1087 795 A 42 ILE HG1x A 42 ILE HA 1.0 1.8 6.22 1088 796 A 42 ILE HA A 42 ILE HG2% 1.0 1.8 3.80 1089 797 A 42 ILE HA A 43 GLY HAx 1.0 1.8 6.50 1090 798 A 42 ILE HD1% A 42 ILE HB 1.0 1.8 3.72 1091 799 A 43 GLY H A 42 ILE HB 1.0 1.8 5.79 1092 800 A 43 GLY H A 42 ILE HG1y 1.0 1.8 5.85 1093 800 A 42 ILE HG1x A 43 GLY H 1.0 1.8 5.85 1094 801 A 42 ILE HG2% A 42 ILE HG1y 1.0 1.8 3.67 1095 801 A 42 ILE HG1x A 42 ILE HG2% 1.0 1.8 3.67 1096 802 A 42 ILE HG2% A 42 ILE HG1y 1.0 1.8 3.95 1097 802 A 42 ILE HG1x A 42 ILE HG2% 1.0 1.8 3.95 1098 803 A 42 ILE HG2% A 43 GLY HAy 1.0 1.8 5.69 1099 804 A 42 ILE HG2% A 43 GLY HAx 1.0 1.8 5.45 1100 805 A 43 GLY H A 42 ILE HG2% 1.0 1.8 5.26 1101 806 A 44 PHE H A 42 ILE HG2% 1.0 1.8 5.76 1102 807 A 42 ILE HG2% A 45 HIS H 1.0 1.8 6.78 1103 808 A 42 ILE H A 42 ILE HB 1.0 1.8 5.62 1104 809 A 42 ILE H A 42 ILE HG1y 1.0 1.8 5.06 1105 809 A 42 ILE HG1x A 42 ILE H 1.0 1.8 5.06 1106 810 A 42 ILE H A 42 ILE HG1y 1.0 1.8 5.24 1107 810 A 42 ILE HG1x A 42 ILE H 1.0 1.8 5.24 1108 811 A 42 ILE H A 42 ILE HG2% 1.0 1.8 5.11 1109 812 A 42 ILE H A 43 GLY HAx 1.0 1.8 6.15 1110 813 A 42 ILE H A 43 GLY H 1.0 1.8 5.10 1111 814 A 44 PHE HBx A 43 GLY HAy 1.0 1.8 6.12 1112 815 A 44 PHE H A 43 GLY HAy 1.0 1.8 5.24 1113 816 A 43 GLY HAy A 45 HIS HBx 1.0 1.8 6.24 1114 817 A 43 GLY HAy A 45 HIS HBy 1.0 1.8 6.24 1115 818 A 43 GLY HAy A 62 VAL HGx% 1.0 1.8 6.27 1116 819 A 43 GLY HAy A 62 VAL HGy% 1.0 1.8 6.27 1117 820 A 43 GLY HAx A 62 VAL HGy% 1.0 1.8 6.29 1118 820 A 43 GLY HAx A 62 VAL HGx% 1.0 1.8 6.29 1119 821 A 43 GLY H A 43 GLY HAy 1.0 1.8 3.90 1120 822 A 44 PHE HBy A 43 GLY H 1.0 1.8 6.07 1121 823 A 44 PHE H A 43 GLY H 1.0 1.8 5.32 1122 824 A 44 PHE HD% A 44 PHE HA 1.0 1.8 5.61 1123 825 A 44 PHE HA A 45 HIS H 1.0 1.8 5.44 1124 826 A 44 PHE HBy A 45 HIS H 1.0 1.8 5.92 1125 827 A 44 PHE HD% A 45 HIS H 1.0 1.8 6.50 1126 828 A 44 PHE HD% A 46 VAL HB 1.0 1.8 6.54 1127 829 A 46 VAL HGx% A 44 PHE HD% 1.0 1.8 6.44 1128 830 A 44 PHE HD% A 46 VAL HGy% 1.0 1.8 6.44 1129 831 A 44 PHE HD% A 46 VAL HGy% 1.0 1.8 5.45 1130 831 A 46 VAL HGx% A 44 PHE HD% 1.0 1.8 5.45 1131 832 A 44 PHE HE% A 46 VAL HGy% 1.0 1.8 6.90 1132 832 A 44 PHE HE% A 46 VAL HGx% 1.0 1.8 6.90 1133 833 A 44 PHE HBx A 44 PHE H 1.0 1.8 5.28 1134 834 A 44 PHE HBy A 44 PHE H 1.0 1.8 5.25 1135 835 A 44 PHE HD% A 44 PHE H 1.0 1.8 6.13 1136 836 A 44 PHE H A 45 HIS H 1.0 1.8 5.80 1137 837 A 62 VAL HB A 45 HIS HBx 1.0 1.8 6.20 1138 838 A 62 VAL HB A 45 HIS HBy 1.0 1.8 6.20 1139 839 A 62 VAL HB A 45 HIS HBx 1.0 1.8 5.69 1140 839 A 62 VAL HB A 45 HIS HBy 1.0 1.8 5.69 1141 840 A 45 HIS HBy A 62 VAL HGy% 1.0 1.8 5.44 1142 840 A 45 HIS HBx A 62 VAL HGy% 1.0 1.8 5.44 1143 840 A 62 VAL HGx% A 45 HIS HBx 1.0 1.8 5.44 1144 840 A 62 VAL HGx% A 45 HIS HBy 1.0 1.8 5.44 1145 841 A 45 HIS HD2 A 46 VAL HA 1.0 1.8 6.50 1146 842 A 45 HIS HE1 A 61 ILE HB 1.0 1.8 6.58 1147 843 A 45 HIS HE1 A 64 PRO HA 1.0 1.8 5.92 1148 844 A 45 HIS H A 46 VAL HGy% 1.0 1.8 5.39 1149 844 A 46 VAL HGx% A 45 HIS H 1.0 1.8 5.39 1150 845 A 45 HIS H A 46 VAL H 1.0 1.8 7.50 1151 846 A 45 HIS H A 62 VAL HGy% 1.0 1.8 7.09 1152 846 A 45 HIS H A 62 VAL HGx% 1.0 1.8 7.09 1153 847 A 46 VAL HGx% A 46 VAL HA 1.0 1.8 5.39 1154 848 A 46 VAL HA A 46 VAL HGy% 1.0 1.8 5.39 1155 849 A 46 VAL HA A 46 VAL HGy% 1.0 1.8 3.96 1156 849 A 46 VAL HGx% A 46 VAL HA 1.0 1.8 3.96 1157 850 A 46 VAL HA A 47 CYS HA 1.0 1.8 7.17 1158 851 A 46 VAL HA A 47 CYS H 1.0 1.8 5.56 1159 852 A 46 VAL HA A 61 ILE HG2% 1.0 1.8 7.14 1160 853 A 46 VAL HB A 47 CYS H 1.0 1.8 7.11 1161 854 A 47 CYS H A 46 VAL HGy% 1.0 1.8 6.30 1162 854 A 46 VAL HGx% A 47 CYS H 1.0 1.8 6.30 1163 855 A 48 ALA HA A 46 VAL HGy% 1.0 1.8 6.61 1164 855 A 46 VAL HGx% A 48 ALA HA 1.0 1.8 6.61 1165 856 A 48 ALA HB% A 46 VAL HGy% 1.0 1.8 5.03 1166 856 A 46 VAL HGx% A 48 ALA HB% 1.0 1.8 5.03 1167 857 A 48 ALA H A 46 VAL HGy% 1.0 1.8 6.01 1168 857 A 46 VAL HGx% A 48 ALA H 1.0 1.8 6.01 1169 858 A 46 VAL H A 48 ALA H 1.0 1.8 7.09 1170 859 A 46 VAL H A 61 ILE HD1% 1.0 1.8 6.85 1171 860 A 47 CYS HA A 61 ILE HD1% 1.0 1.8 6.14 1172 861 A 48 ALA H A 47 CYS HBy 1.0 1.8 6.42 1173 861 A 48 ALA H A 47 CYS HBx 1.0 1.8 6.42 1174 862 A 61 ILE HD1% A 47 CYS HBy 1.0 1.8 6.16 1175 862 A 61 ILE HD1% A 47 CYS HBx 1.0 1.8 6.16 1176 863 A 47 CYS H A 61 ILE HD1% 1.0 1.8 6.49 1177 864 A 47 CYS H A 61 ILE HG2% 1.0 1.8 6.18 1178 865 A 47 CYS H A 68 CYS HBy 1.0 1.8 7.28 1179 865 A 47 CYS H A 68 CYS HBx 1.0 1.8 7.28 1180 866 A 48 ALA HA A 49 ALA HB% 1.0 1.8 6.24 1181 867 A 48 ALA HA A 67 ASN HD2x 1.0 1.8 6.34 1182 867 A 48 ALA HA A 67 ASN HD2y 1.0 1.8 6.34 1183 868 A 48 ALA HB% A 49 ALA HB% 1.0 1.8 6.82 1184 869 A 48 ALA HB% A 49 ALA H 1.0 1.8 5.97 1185 870 A 90 ALA H A 48 ALA HB% 1.0 1.8 6.24 1186 871 A 48 ALA HB% A 48 ALA H 1.0 1.8 5.96 1187 872 A 48 ALA H A 49 ALA HB% 1.0 1.8 6.56 1188 873 A 49 ALA H A 48 ALA H 1.0 1.8 7.06 1189 874 A 48 ALA H A 59 TYR HBx 1.0 1.8 6.45 1190 875 A 48 ALA H A 59 TYR HBy 1.0 1.8 6.45 1191 876 A 49 ALA HA A 50 GLY HAx 1.0 1.8 5.88 1192 877 A 49 ALA HA A 57 VAL HGy% 1.0 1.8 6.73 1193 877 A 49 ALA HA A 57 VAL HGx% 1.0 1.8 6.73 1194 878 A 49 ALA HA A 59 TYR HBy 1.0 1.8 6.74 1195 878 A 49 ALA HA A 59 TYR HBx 1.0 1.8 6.74 1196 879 A 91 TYR HE% A 49 ALA HA 1.0 1.8 7.03 1197 880 A 49 ALA HB% A 50 GLY H 1.0 1.8 6.04 1198 881 A 49 ALA HB% A 57 VAL HGy% 1.0 1.8 5.11 1199 881 A 49 ALA HB% A 57 VAL HGx% 1.0 1.8 5.11 1200 882 A 49 ALA HB% A 58 GLY H 1.0 1.8 6.37 1201 883 A 49 ALA HB% A 59 TYR HBy 1.0 1.8 7.03 1202 883 A 49 ALA HB% A 59 TYR HBx 1.0 1.8 7.03 1203 884 A 49 ALA HB% A 59 TYR HE% 1.0 1.8 6.23 1204 885 A 68 CYS HBx A 49 ALA HB% 1.0 1.8 6.21 1205 886 A 49 ALA HB% A 68 CYS HBy 1.0 1.8 6.21 1206 887 A 49 ALA HB% A 68 CYS HBy 1.0 1.8 5.64 1207 887 A 68 CYS HBx A 49 ALA HB% 1.0 1.8 5.64 1208 888 A 49 ALA HB% A 88 TRP HE3 1.0 1.8 5.41 1209 889 A 49 ALA HB% A 88 TRP HZ2 1.0 1.8 6.38 1210 890 A 49 ALA HB% A 89 ASP HBy 1.0 1.8 7.34 1211 890 A 89 ASP HBx A 49 ALA HB% 1.0 1.8 7.34 1212 891 A 49 ALA H A 49 ALA HB% 1.0 1.8 5.72 1213 892 A 49 ALA H A 50 GLY H 1.0 1.8 6.71 1214 893 A 51 TRP H A 50 GLY HAy 1.0 1.8 5.56 1215 894 A 50 GLY HAy A 88 TRP HBx 1.0 1.8 6.43 1216 895 A 88 TRP HBy A 50 GLY HAy 1.0 1.8 6.43 1217 896 A 50 GLY HAy A 88 TRP HBx 1.0 1.8 5.58 1218 896 A 88 TRP HBy A 50 GLY HAy 1.0 1.8 5.58 1219 897 A 50 GLY HAy A 89 ASP HBy 1.0 1.8 6.18 1220 897 A 89 ASP HBx A 50 GLY HAy 1.0 1.8 6.18 1221 898 A 89 ASP H A 50 GLY HAy 1.0 1.8 5.65 1222 899 A 90 ALA HA A 50 GLY HAy 1.0 1.8 6.42 1223 900 A 90 ALA HB% A 50 GLY HAy 1.0 1.8 6.88 1224 901 A 51 TRP H A 50 GLY HAx 1.0 1.8 5.39 1225 902 A 50 GLY HAx A 88 TRP HBx 1.0 1.8 6.68 1226 902 A 88 TRP HBy A 50 GLY HAx 1.0 1.8 6.68 1227 903 A 90 ALA HA A 50 GLY HAx 1.0 1.8 6.34 1228 904 A 90 ALA H A 50 GLY HAx 1.0 1.8 6.23 1229 905 A 91 TYR HD% A 50 GLY HAx 1.0 1.8 6.07 1230 906 A 91 TYR H A 50 GLY HAx 1.0 1.8 7.29 1231 907 A 57 VAL HGx% A 50 GLY H 1.0 1.8 7.13 1232 908 A 50 GLY H A 57 VAL HGy% 1.0 1.8 7.13 1233 909 A 50 GLY H A 57 VAL HGy% 1.0 1.8 6.10 1234 909 A 57 VAL HGx% A 50 GLY H 1.0 1.8 6.10 1235 910 A 50 GLY H A 58 GLY H 1.0 1.8 6.02 1236 911 A 50 GLY H A 59 TYR HBy 1.0 1.8 6.36 1237 911 A 59 TYR HBx A 50 GLY H 1.0 1.8 6.36 1238 912 A 50 GLY H A 59 TYR HD% 1.0 1.8 7.23 1239 913 A 50 GLY H A 89 ASP HBy 1.0 1.8 6.63 1240 913 A 89 ASP HBx A 50 GLY H 1.0 1.8 6.63 1241 914 A 90 ALA H A 50 GLY H 1.0 1.8 7.31 1242 915 A 91 TYR HE% A 50 GLY H 1.0 1.8 5.96 1243 916 A 51 TRP HA A 51 TRP HE3 1.0 1.8 5.88 1244 917 A 51 TRP HA A 52 MET HGy 1.0 1.8 6.53 1245 917 A 51 TRP HA A 52 MET HGx 1.0 1.8 6.53 1246 918 A 51 TRP HA A 52 MET H 1.0 1.8 5.33 1247 919 A 51 TRP HA A 57 VAL HA 1.0 1.8 5.55 1248 920 A 51 TRP HA A 57 VAL HGy% 1.0 1.8 5.46 1249 920 A 51 TRP HA A 57 VAL HGx% 1.0 1.8 5.46 1250 921 A 52 MET H A 51 TRP HBx 1.0 1.8 6.28 1251 922 A 90 ALA HB% A 51 TRP HBx 1.0 1.8 6.24 1252 923 A 51 TRP HBy A 52 MET H 1.0 1.8 6.28 1253 924 A 90 ALA HB% A 51 TRP HBy 1.0 1.8 6.24 1254 925 A 51 TRP HE1 A 51 TRP HBx 1.0 1.8 6.45 1255 925 A 51 TRP HE1 A 51 TRP HBy 1.0 1.8 6.45 1256 926 A 52 MET H A 51 TRP HBx 1.0 1.8 5.71 1257 926 A 51 TRP HBy A 52 MET H 1.0 1.8 5.71 1258 927 A 57 VAL HB A 51 TRP HBx 1.0 1.8 6.43 1259 927 A 51 TRP HBy A 57 VAL HB 1.0 1.8 6.43 1260 928 A 51 TRP HBx A 57 VAL HGy% 1.0 1.8 6.48 1261 928 A 51 TRP HBy A 57 VAL HGy% 1.0 1.8 6.48 1262 928 A 57 VAL HGx% A 51 TRP HBx 1.0 1.8 6.48 1263 928 A 51 TRP HBy A 57 VAL HGx% 1.0 1.8 6.48 1264 929 A 90 ALA HA A 51 TRP HBx 1.0 1.8 5.95 1265 929 A 90 ALA HA A 51 TRP HBy 1.0 1.8 5.95 1266 930 A 90 ALA HB% A 51 TRP HBx 1.0 1.8 5.73 1267 930 A 90 ALA HB% A 51 TRP HBy 1.0 1.8 5.73 1268 931 A 51 TRP HD1 A 88 TRP HBx 1.0 1.8 6.79 1269 932 A 88 TRP HBy A 51 TRP HD1 1.0 1.8 6.79 1270 933 A 51 TRP HD1 A 88 TRP HBx 1.0 1.8 6.19 1271 933 A 88 TRP HBy A 51 TRP HD1 1.0 1.8 6.19 1272 934 A 90 ALA HB% A 51 TRP HD1 1.0 1.8 6.93 1273 935 A 51 TRP HE1 A 57 VAL HB 1.0 1.8 6.20 1274 936 A 51 TRP HE1 A 57 VAL HGy% 1.0 1.8 6.95 1275 936 A 51 TRP HE1 A 57 VAL HGx% 1.0 1.8 6.95 1276 937 A 51 TRP HE1 A 86 GLU HA 1.0 1.8 6.93 1277 938 A 51 TRP HE1 A 86 GLU HBx 1.0 1.8 5.68 1278 939 A 51 TRP HE1 A 87 ARG HA 1.0 1.8 5.69 1279 940 A 51 TRP HE1 A 88 TRP HBx 1.0 1.8 6.08 1280 940 A 88 TRP HBy A 51 TRP HE1 1.0 1.8 6.08 1281 941 A 51 TRP HE1 A 88 TRP HE1 1.0 1.8 6.84 1282 942 A 51 TRP HE1 A 88 TRP H 1.0 1.8 5.48 1283 943 A 51 TRP HE3 A 52 MET H 1.0 1.8 6.27 1284 944 A 51 TRP HE3 A 57 VAL HGy% 1.0 1.8 6.19 1285 944 A 57 VAL HGx% A 51 TRP HE3 1.0 1.8 6.19 1286 945 A 51 TRP HH2 A 84 ARG H 1.0 1.8 6.28 1287 946 A 51 TRP H A 51 TRP HBx 1.0 1.8 5.32 1288 946 A 51 TRP HBy A 51 TRP H 1.0 1.8 5.32 1289 947 A 51 TRP HE1 A 51 TRP H 1.0 1.8 7.10 1290 948 A 51 TRP H A 52 MET H 1.0 1.8 6.58 1291 949 A 51 TRP H A 57 VAL HB 1.0 1.8 6.17 1292 950 A 51 TRP H A 57 VAL HGx% 1.0 1.8 6.87 1293 951 A 51 TRP H A 57 VAL HGy% 1.0 1.8 6.87 1294 952 A 51 TRP H A 57 VAL HGy% 1.0 1.8 6.28 1295 952 A 51 TRP H A 57 VAL HGx% 1.0 1.8 6.28 1296 953 A 51 TRP H A 88 TRP HBx 1.0 1.8 6.10 1297 953 A 88 TRP HBy A 51 TRP H 1.0 1.8 6.10 1298 954 A 51 TRP H A 88 TRP HD1 1.0 1.8 6.90 1299 955 A 90 ALA HA A 51 TRP H 1.0 1.8 5.48 1300 956 A 90 ALA HB% A 51 TRP H 1.0 1.8 6.04 1301 957 A 51 TRP HZ2 A 57 VAL HGy% 1.0 1.8 6.84 1302 957 A 57 VAL HGx% A 51 TRP HZ2 1.0 1.8 6.84 1303 958 A 86 GLU HBx A 51 TRP HZ2 1.0 1.8 6.66 1304 959 A 51 TRP HZ2 A 86 GLU HBy 1.0 1.8 6.55 1305 960 A 87 ARG H A 51 TRP HZ2 1.0 1.8 7.14 1306 961 A 52 MET HA A 52 MET HE% 1.0 1.8 6.61 1307 962 A 52 MET HA A 52 MET HGx 1.0 1.8 6.17 1308 963 A 52 MET HA A 52 MET HGy 1.0 1.8 6.17 1309 964 A 52 MET HA A 52 MET HGy 1.0 1.8 5.59 1310 964 A 52 MET HA A 52 MET HGx 1.0 1.8 5.59 1311 965 A 52 MET HA A 53 ALA H 1.0 1.8 5.34 1312 966 A 52 MET HA A 55 GLY H 1.0 1.8 7.50 1313 967 A 53 ALA H A 52 MET HBx 1.0 1.8 5.68 1314 968 A 56 ARG HBy A 52 MET HBx 1.0 1.8 5.99 1315 969 A 52 MET HBx A 56 ARG H 1.0 1.8 5.77 1316 970 A 52 MET HBy A 52 MET HE% 1.0 1.8 5.12 1317 971 A 52 MET HBy A 53 ALA HB% 1.0 1.8 6.42 1318 972 A 52 MET HBy A 53 ALA H 1.0 1.8 5.27 1319 973 A 52 MET HBy A 56 ARG H 1.0 1.8 6.23 1320 974 A 53 ALA H A 52 MET HE% 1.0 1.8 7.12 1321 975 A 52 MET HE% A 57 VAL HGx% 1.0 1.8 7.49 1322 976 A 52 MET HE% A 57 VAL HGy% 1.0 1.8 7.49 1323 977 A 52 MET HE% A 58 GLY HAx 1.0 1.8 6.44 1324 977 A 52 MET HE% A 58 GLY HAy 1.0 1.8 6.44 1325 978 A 52 MET HE% A 58 GLY H 1.0 1.8 6.16 1326 979 A 52 MET HE% A 59 TYR H 1.0 1.8 6.74 1327 980 A 91 TYR HD% A 52 MET HGx 1.0 1.8 7.06 1328 981 A 91 TYR HD% A 52 MET HGy 1.0 1.8 7.06 1329 982 A 53 ALA H A 52 MET HGy 1.0 1.8 6.72 1330 982 A 53 ALA H A 52 MET HGx 1.0 1.8 6.72 1331 983 A 56 ARG HBy A 52 MET HGy 1.0 1.8 6.30 1332 983 A 56 ARG HBy A 52 MET HGx 1.0 1.8 6.30 1333 984 A 58 GLY H A 52 MET HGy 1.0 1.8 6.39 1334 984 A 52 MET HGx A 58 GLY H 1.0 1.8 6.39 1335 985 A 90 ALA HB% A 52 MET HGy 1.0 1.8 7.09 1336 985 A 90 ALA HB% A 52 MET HGx 1.0 1.8 7.09 1337 986 A 52 MET H A 52 MET HBx 1.0 1.8 6.08 1338 987 A 52 MET HBy A 52 MET H 1.0 1.8 5.99 1339 988 A 52 MET H A 52 MET HGy 1.0 1.8 6.31 1340 988 A 52 MET HGx A 52 MET H 1.0 1.8 6.31 1341 989 A 53 ALA H A 52 MET H 1.0 1.8 6.63 1342 990 A 52 MET H A 55 GLY H 1.0 1.8 6.78 1343 991 A 56 ARG HBy A 52 MET H 1.0 1.8 6.35 1344 992 A 52 MET H A 56 ARG H 1.0 1.8 6.38 1345 993 A 52 MET H A 57 VAL HA 1.0 1.8 6.29 1346 994 A 52 MET H A 57 VAL HB 1.0 1.8 6.54 1347 995 A 52 MET H A 57 VAL HGy% 1.0 1.8 6.07 1348 995 A 57 VAL HGx% A 52 MET H 1.0 1.8 6.07 1349 996 A 58 GLY H A 52 MET H 1.0 1.8 6.84 1350 997 A 90 ALA HB% A 52 MET H 1.0 1.8 7.50 1351 998 A 53 ALA HA A 54 LYS HA 1.0 1.8 6.43 1352 999 A 53 ALA HA A 54 LYS H 1.0 1.8 5.23 1353 1000 A 53 ALA HA A 55 GLY H 1.0 1.8 5.96 1354 1001 A 53 ALA HA A 56 ARG H 1.0 1.8 6.69 1355 1002 A 54 LYS H A 53 ALA HB% 1.0 1.8 5.40 1356 1003 A 53 ALA H A 53 ALA HB% 1.0 1.8 3.97 1357 1004 A 53 ALA H A 54 LYS H 1.0 1.8 6.27 1358 1005 A 53 ALA H A 55 GLY H 1.0 1.8 6.60 1359 1006 A 53 ALA H A 56 ARG H 1.0 1.8 6.81 1360 1007 A 54 LYS HA A 54 LYS HDx 1.0 1.8 5.86 1361 1007 A 54 LYS HA A 54 LYS HDy 1.0 1.8 5.86 1362 1008 A 54 LYS HA A 54 LYS HGy 1.0 1.8 5.59 1363 1008 A 54 LYS HA A 54 LYS HGx 1.0 1.8 5.59 1364 1009 A 55 GLY H A 54 LYS HBx 1.0 1.8 6.47 1365 1010 A 80 ILE HD1% A 54 LYS HBx 1.0 1.8 6.30 1366 1011 A 55 GLY H A 54 LYS HBy 1.0 1.8 6.47 1367 1012 A 80 ILE HD1% A 54 LYS HBy 1.0 1.8 6.30 1368 1013 A 56 ARG HDy A 54 LYS HBy 1.0 1.8 6.59 1369 1013 A 56 ARG HDy A 54 LYS HBx 1.0 1.8 6.59 1370 1014 A 56 ARG H A 54 LYS HBy 1.0 1.8 6.02 1371 1014 A 56 ARG H A 54 LYS HBx 1.0 1.8 6.02 1372 1015 A 80 ILE HD1% A 54 LYS HBy 1.0 1.8 5.59 1373 1015 A 80 ILE HD1% A 54 LYS HBx 1.0 1.8 5.59 1374 1016 A 54 LYS HDy A 54 LYS HEx 1.0 1.8 3.41 1375 1016 A 54 LYS HDx A 54 LYS HEx 1.0 1.8 3.41 1376 1016 A 54 LYS HEy A 54 LYS HDx 1.0 1.8 3.41 1377 1016 A 54 LYS HDy A 54 LYS HEy 1.0 1.8 3.41 1378 1017 A 54 LYS HEy A 54 LYS HGy 1.0 1.8 5.65 1379 1017 A 54 LYS HGx A 54 LYS HEx 1.0 1.8 5.65 1380 1017 A 54 LYS HGx A 54 LYS HEy 1.0 1.8 5.65 1381 1017 A 54 LYS HEx A 54 LYS HGy 1.0 1.8 5.65 1382 1018 A 55 GLY H A 54 LYS HGy 1.0 1.8 5.77 1383 1018 A 55 GLY H A 54 LYS HGx 1.0 1.8 5.77 1384 1019 A 54 LYS H A 55 GLY H 1.0 1.8 5.71 1385 1020 A 54 LYS H A 56 ARG HBx 1.0 1.8 6.08 1386 1021 A 54 LYS H A 56 ARG H 1.0 1.8 6.54 1387 1022 A 55 GLY HAy A 80 ILE HG2% 1.0 1.8 6.24 1388 1023 A 80 ILE HG2% A 55 GLY HAx 1.0 1.8 6.24 1389 1024 A 55 GLY H A 56 ARG HBx 1.0 1.8 6.90 1390 1025 A 55 GLY H A 56 ARG H 1.0 1.8 5.12 1391 1026 A 55 GLY H A 80 ILE HD1% 1.0 1.8 6.63 1392 1027 A 55 GLY H A 80 ILE HG2% 1.0 1.8 5.87 1393 1028 A 56 ARG HA A 56 ARG HDx 1.0 1.8 5.30 1394 1029 A 56 ARG HA A 80 ILE HA 1.0 1.8 5.40 1395 1030 A 80 ILE HD1% A 56 ARG HA 1.0 1.8 6.16 1396 1031 A 80 ILE HG2% A 56 ARG HA 1.0 1.8 6.67 1397 1032 A 56 ARG HA A 80 ILE H 1.0 1.8 6.64 1398 1033 A 56 ARG HA A 81 ARG H 1.0 1.8 6.37 1399 1034 A 56 ARG HBx A 79 GLY H 1.0 1.8 6.60 1400 1035 A 80 ILE HD1% A 56 ARG HBx 1.0 1.8 6.49 1401 1036 A 56 ARG HBy A 56 ARG HE 1.0 1.8 6.92 1402 1037 A 56 ARG HBy A 80 ILE HD1% 1.0 1.8 6.43 1403 1038 A 56 ARG HDx A 80 ILE HG1y 1.0 1.8 5.44 1404 1038 A 56 ARG HDx A 80 ILE HG1x 1.0 1.8 5.44 1405 1039 A 56 ARG HDy A 79 GLY H 1.0 1.8 6.62 1406 1040 A 56 ARG HDy A 80 ILE HG1y 1.0 1.8 3.98 1407 1040 A 56 ARG HDy A 80 ILE HG1x 1.0 1.8 3.98 1408 1041 A 56 ARG HDy A 80 ILE H 1.0 1.8 7.50 1409 1042 A 79 GLY H A 56 ARG HE 1.0 1.8 7.46 1410 1043 A 56 ARG HBy A 56 ARG H 1.0 1.8 5.01 1411 1044 A 56 ARG H A 56 ARG HDx 1.0 1.8 6.59 1412 1045 A 56 ARG HDy A 56 ARG H 1.0 1.8 6.26 1413 1046 A 56 ARG H A 57 VAL HGy% 1.0 1.8 6.98 1414 1046 A 57 VAL HGx% A 56 ARG H 1.0 1.8 6.98 1415 1047 A 56 ARG H A 57 VAL H 1.0 1.8 5.72 1416 1048 A 56 ARG H A 80 ILE HD1% 1.0 1.8 5.70 1417 1049 A 57 VAL HGx% A 57 VAL HA 1.0 1.8 5.66 1418 1050 A 57 VAL HA A 57 VAL HGy% 1.0 1.8 5.66 1419 1051 A 58 GLY H A 57 VAL HA 1.0 1.8 5.40 1420 1052 A 58 GLY H A 57 VAL HB 1.0 1.8 6.38 1421 1053 A 57 VAL HB A 78 TYR HBy 1.0 1.8 7.05 1422 1053 A 57 VAL HB A 78 TYR HBx 1.0 1.8 7.05 1423 1054 A 57 VAL HB A 81 ARG HDy 1.0 1.8 5.69 1424 1055 A 57 VAL HB A 81 ARG HDx 1.0 1.8 5.69 1425 1056 A 57 VAL HB A 81 ARG HGx 1.0 1.8 6.76 1426 1057 A 57 VAL HB A 81 ARG HGy 1.0 1.8 6.76 1427 1058 A 57 VAL HB A 81 ARG HGy 1.0 1.8 6.16 1428 1058 A 57 VAL HB A 81 ARG HGx 1.0 1.8 6.16 1429 1059 A 88 TRP HE3 A 57 VAL HB 1.0 1.8 6.72 1430 1060 A 57 VAL HGx% A 58 GLY H 1.0 1.8 6.01 1431 1061 A 57 VAL HGx% A 81 ARG HDy 1.0 1.8 6.40 1432 1062 A 57 VAL HGx% A 81 ARG HDx 1.0 1.8 6.40 1433 1063 A 57 VAL HGx% A 88 TRP HBx 1.0 1.8 7.36 1434 1064 A 88 TRP HBy A 57 VAL HGx% 1.0 1.8 7.36 1435 1065 A 58 GLY H A 57 VAL HGy% 1.0 1.8 6.01 1436 1066 A 57 VAL HGy% A 81 ARG HDy 1.0 1.8 6.40 1437 1067 A 81 ARG HDx A 57 VAL HGy% 1.0 1.8 6.40 1438 1068 A 57 VAL HGy% A 88 TRP HBx 1.0 1.8 7.36 1439 1069 A 88 TRP HBy A 57 VAL HGy% 1.0 1.8 7.36 1440 1070 A 57 VAL HGx% A 58 GLY HAx 1.0 1.8 6.80 1441 1070 A 57 VAL HGy% A 58 GLY HAx 1.0 1.8 6.80 1442 1070 A 58 GLY HAy A 57 VAL HGy% 1.0 1.8 6.80 1443 1070 A 57 VAL HGx% A 58 GLY HAy 1.0 1.8 6.80 1444 1071 A 58 GLY H A 57 VAL HGy% 1.0 1.8 5.32 1445 1071 A 57 VAL HGx% A 58 GLY H 1.0 1.8 5.32 1446 1072 A 57 VAL HGx% A 78 TYR HBy 1.0 1.8 6.10 1447 1072 A 57 VAL HGy% A 78 TYR HBy 1.0 1.8 6.10 1448 1072 A 78 TYR HBx A 57 VAL HGy% 1.0 1.8 6.10 1449 1072 A 57 VAL HGx% A 78 TYR HBx 1.0 1.8 6.10 1450 1073 A 78 TYR H A 57 VAL HGy% 1.0 1.8 7.08 1451 1073 A 57 VAL HGx% A 78 TYR H 1.0 1.8 7.08 1452 1074 A 57 VAL HGx% A 81 ARG HBx 1.0 1.8 6.35 1453 1074 A 57 VAL HGy% A 81 ARG HBx 1.0 1.8 6.35 1454 1074 A 81 ARG HBy A 57 VAL HGy% 1.0 1.8 6.35 1455 1074 A 57 VAL HGx% A 81 ARG HBy 1.0 1.8 6.35 1456 1075 A 57 VAL HGx% A 81 ARG HDy 1.0 1.8 5.30 1457 1075 A 57 VAL HGy% A 81 ARG HDy 1.0 1.8 5.30 1458 1075 A 81 ARG HDx A 57 VAL HGy% 1.0 1.8 5.30 1459 1075 A 57 VAL HGx% A 81 ARG HDx 1.0 1.8 5.30 1460 1076 A 57 VAL HGy% A 81 ARG HGy 1.0 1.8 5.49 1461 1076 A 57 VAL HGx% A 81 ARG HGy 1.0 1.8 5.49 1462 1076 A 81 ARG HGx A 57 VAL HGy% 1.0 1.8 5.49 1463 1076 A 57 VAL HGx% A 81 ARG HGx 1.0 1.8 5.49 1464 1077 A 81 ARG H A 57 VAL HGy% 1.0 1.8 6.68 1465 1077 A 57 VAL HGx% A 81 ARG H 1.0 1.8 6.68 1466 1078 A 57 VAL HGx% A 88 TRP HBx 1.0 1.8 6.05 1467 1078 A 57 VAL HGy% A 88 TRP HBx 1.0 1.8 6.05 1468 1078 A 88 TRP HBy A 57 VAL HGy% 1.0 1.8 6.05 1469 1078 A 88 TRP HBy A 57 VAL HGx% 1.0 1.8 6.05 1470 1079 A 88 TRP HD1 A 57 VAL HGy% 1.0 1.8 6.09 1471 1079 A 57 VAL HGx% A 88 TRP HD1 1.0 1.8 6.09 1472 1080 A 88 TRP HE1 A 57 VAL HGy% 1.0 1.8 6.86 1473 1080 A 57 VAL HGx% A 88 TRP HE1 1.0 1.8 6.86 1474 1081 A 88 TRP HE3 A 57 VAL HGy% 1.0 1.8 5.68 1475 1081 A 57 VAL HGx% A 88 TRP HE3 1.0 1.8 5.68 1476 1082 A 57 VAL HB A 57 VAL H 1.0 1.8 6.10 1477 1083 A 57 VAL HGx% A 57 VAL H 1.0 1.8 6.50 1478 1084 A 57 VAL H A 57 VAL HGy% 1.0 1.8 6.50 1479 1085 A 57 VAL H A 57 VAL HGy% 1.0 1.8 5.93 1480 1085 A 57 VAL HGx% A 57 VAL H 1.0 1.8 5.93 1481 1086 A 58 GLY H A 57 VAL H 1.0 1.8 6.45 1482 1087 A 57 VAL H A 78 TYR HBy 1.0 1.8 6.63 1483 1087 A 57 VAL H A 78 TYR HBx 1.0 1.8 6.63 1484 1088 A 79 GLY H A 57 VAL H 1.0 1.8 6.54 1485 1089 A 80 ILE HA A 57 VAL H 1.0 1.8 6.40 1486 1090 A 57 VAL H A 81 ARG HDy 1.0 1.8 6.36 1487 1091 A 57 VAL H A 81 ARG HDx 1.0 1.8 6.36 1488 1092 A 81 ARG H A 57 VAL H 1.0 1.8 6.78 1489 1093 A 75 ILE HG2% A 58 GLY HAy 1.0 1.8 6.63 1490 1094 A 58 GLY HAy A 78 TYR H 1.0 1.8 6.55 1491 1095 A 75 ILE HG2% A 58 GLY HAx 1.0 1.8 6.63 1492 1096 A 78 TYR H A 58 GLY HAx 1.0 1.8 6.55 1493 1097 A 75 ILE HG2% A 58 GLY HAx 1.0 1.8 6.06 1494 1097 A 75 ILE HG2% A 58 GLY HAy 1.0 1.8 6.06 1495 1098 A 77 ASP HA A 58 GLY HAx 1.0 1.8 6.27 1496 1098 A 58 GLY HAy A 77 ASP HA 1.0 1.8 6.27 1497 1099 A 58 GLY HAy A 77 ASP HBy 1.0 1.8 7.18 1498 1099 A 58 GLY HAx A 77 ASP HBy 1.0 1.8 7.18 1499 1099 A 77 ASP HBx A 58 GLY HAx 1.0 1.8 7.18 1500 1099 A 77 ASP HBx A 58 GLY HAy 1.0 1.8 7.18 1501 1100 A 58 GLY H A 59 TYR HBy 1.0 1.8 5.89 1502 1100 A 59 TYR HBx A 58 GLY H 1.0 1.8 5.89 1503 1101 A 58 GLY H A 59 TYR H 1.0 1.8 6.31 1504 1102 A 75 ILE HG2% A 58 GLY H 1.0 1.8 6.79 1505 1103 A 58 GLY H A 78 TYR H 1.0 1.8 6.97 1506 1104 A 59 TYR HA A 60 PRO HDy 1.0 1.8 5.48 1507 1104 A 59 TYR HA A 60 PRO HDx 1.0 1.8 5.48 1508 1105 A 91 TYR HE% A 59 TYR HBx 1.0 1.8 7.50 1509 1106 A 91 TYR HE% A 59 TYR HBy 1.0 1.8 7.50 1510 1107 A 91 TYR HE% A 59 TYR HBy 1.0 1.8 6.72 1511 1107 A 91 TYR HE% A 59 TYR HBx 1.0 1.8 6.72 1512 1108 A 59 TYR H A 59 TYR HBy 1.0 1.8 5.41 1513 1108 A 59 TYR HBx A 59 TYR H 1.0 1.8 5.41 1514 1109 A 75 ILE HG2% A 59 TYR H 1.0 1.8 5.40 1515 1110 A 59 TYR H A 76 ILE HB 1.0 1.8 7.50 1516 1111 A 59 TYR H A 76 ILE HG1y 1.0 1.8 6.67 1517 1111 A 59 TYR H A 76 ILE HG1x 1.0 1.8 6.67 1518 1112 A 59 TYR H A 76 ILE HG2% 1.0 1.8 6.04 1519 1113 A 59 TYR H A 76 ILE H 1.0 1.8 5.94 1520 1114 A 59 TYR H A 77 ASP HA 1.0 1.8 6.44 1521 1115 A 59 TYR H A 77 ASP HBy 1.0 1.8 7.18 1522 1115 A 77 ASP HBx A 59 TYR H 1.0 1.8 7.18 1523 1116 A 91 TYR HE% A 59 TYR H 1.0 1.8 7.33 1524 1117 A 75 ILE HB A 60 PRO HA 1.0 1.8 7.15 1525 1118 A 60 PRO HA A 75 ILE HG1y 1.0 1.8 7.05 1526 1118 A 75 ILE HG1x A 60 PRO HA 1.0 1.8 7.05 1527 1119 A 61 ILE HD1% A 61 ILE HA 1.0 1.8 5.51 1528 1120 A 61 ILE HG2% A 61 ILE HA 1.0 1.8 5.41 1529 1121 A 61 ILE HB A 73 THR HA 1.0 1.8 6.02 1530 1122 A 61 ILE HB A 76 ILE HD1% 1.0 1.8 6.27 1531 1123 A 61 ILE HD1% A 62 VAL H 1.0 1.8 7.18 1532 1124 A 61 ILE HD1% A 68 CYS HBx 1.0 1.8 6.46 1533 1125 A 61 ILE HD1% A 68 CYS HBy 1.0 1.8 6.46 1534 1126 A 61 ILE HD1% A 68 CYS HBy 1.0 1.8 5.81 1535 1126 A 61 ILE HD1% A 68 CYS HBx 1.0 1.8 5.81 1536 1127 A 61 ILE HD1% A 76 ILE HA 1.0 1.8 6.90 1537 1128 A 74 GLY H A 61 ILE HG1x 1.0 1.8 6.45 1538 1128 A 74 GLY H A 61 ILE HG1y 1.0 1.8 6.45 1539 1129 A 61 ILE HG2% A 61 ILE HD1% 1.0 1.8 5.32 1540 1130 A 61 ILE HG2% A 62 VAL HA 1.0 1.8 7.50 1541 1131 A 61 ILE HG2% A 62 VAL H 1.0 1.8 6.71 1542 1132 A 61 ILE HG2% A 63 LYS HA 1.0 1.8 6.15 1543 1133 A 61 ILE HG2% A 63 LYS H 1.0 1.8 6.71 1544 1134 A 61 ILE HG2% A 73 THR HA 1.0 1.8 5.68 1545 1135 A 61 ILE HG2% A 73 THR HB 1.0 1.8 6.88 1546 1136 A 74 GLY H A 61 ILE HG2% 1.0 1.8 7.08 1547 1137 A 62 VAL HGx% A 62 VAL HA 1.0 1.8 5.30 1548 1138 A 62 VAL HA A 62 VAL HGy% 1.0 1.8 5.30 1549 1139 A 62 VAL HA A 62 VAL HGy% 1.0 1.8 3.71 1550 1139 A 62 VAL HGx% A 62 VAL HA 1.0 1.8 3.71 1551 1140 A 62 VAL HB A 63 LYS HEx 1.0 1.8 6.34 1552 1141 A 62 VAL HB A 63 LYS HEy 1.0 1.8 6.34 1553 1142 A 62 VAL HB A 63 LYS HEx 1.0 1.8 5.66 1554 1142 A 62 VAL HB A 63 LYS HEy 1.0 1.8 5.66 1555 1143 A 62 VAL HB A 63 LYS H 1.0 1.8 6.34 1556 1144 A 74 GLY H A 62 VAL HB 1.0 1.8 6.12 1557 1145 A 62 VAL HGx% A 63 LYS H 1.0 1.8 6.54 1558 1146 A 63 LYS H A 62 VAL HGy% 1.0 1.8 6.54 1559 1147 A 62 VAL HGx% A 63 LYS HBy 1.0 1.8 5.09 1560 1147 A 62 VAL HGy% A 63 LYS HBy 1.0 1.8 5.09 1561 1147 A 63 LYS HBx A 62 VAL HGy% 1.0 1.8 5.09 1562 1147 A 62 VAL HGx% A 63 LYS HBx 1.0 1.8 5.09 1563 1148 A 62 VAL HGx% A 63 LYS HEx 1.0 1.8 5.06 1564 1148 A 62 VAL HGy% A 63 LYS HEx 1.0 1.8 5.06 1565 1148 A 63 LYS HEy A 62 VAL HGy% 1.0 1.8 5.06 1566 1148 A 62 VAL HGx% A 63 LYS HEy 1.0 1.8 5.06 1567 1149 A 74 GLY H A 62 VAL HGy% 1.0 1.8 6.54 1568 1149 A 74 GLY H A 62 VAL HGx% 1.0 1.8 6.54 1569 1150 A 62 VAL HGx% A 62 VAL H 1.0 1.8 7.30 1570 1151 A 62 VAL H A 62 VAL HGy% 1.0 1.8 7.30 1571 1152 A 62 VAL H A 62 VAL HGy% 1.0 1.8 6.31 1572 1152 A 62 VAL HGx% A 62 VAL H 1.0 1.8 6.31 1573 1153 A 62 VAL H A 63 LYS H 1.0 1.8 7.00 1574 1154 A 63 LYS HA A 63 LYS HDx 1.0 1.8 6.52 1575 1154 A 63 LYS HA A 63 LYS HDy 1.0 1.8 6.52 1576 1155 A 63 LYS HA A 63 LYS HEx 1.0 1.8 5.64 1577 1155 A 63 LYS HA A 63 LYS HEy 1.0 1.8 5.64 1578 1156 A 63 LYS HA A 63 LYS HGx 1.0 1.8 6.03 1579 1156 A 63 LYS HA A 63 LYS HGy 1.0 1.8 6.03 1580 1157 A 63 LYS HA A 64 PRO HDx 1.0 1.8 5.17 1581 1158 A 63 LYS HA A 64 PRO HDy 1.0 1.8 5.12 1582 1159 A 63 LYS HA A 73 THR HB 1.0 1.8 6.55 1583 1160 A 63 LYS HA A 73 THR HG2% 1.0 1.8 5.72 1584 1161 A 63 LYS HBx A 63 LYS HEx 1.0 1.8 3.66 1585 1161 A 63 LYS HBy A 63 LYS HEx 1.0 1.8 3.66 1586 1161 A 63 LYS HEy A 63 LYS HBy 1.0 1.8 3.66 1587 1161 A 63 LYS HEy A 63 LYS HBx 1.0 1.8 3.66 1588 1162 A 64 PRO HDx A 63 LYS HBy 1.0 1.8 5.63 1589 1162 A 63 LYS HBx A 64 PRO HDx 1.0 1.8 5.63 1590 1163 A 64 PRO HDy A 63 LYS HBy 1.0 1.8 5.64 1591 1163 A 63 LYS HBx A 64 PRO HDy 1.0 1.8 5.64 1592 1164 A 64 PRO HDx A 63 LYS HGx 1.0 1.8 6.52 1593 1164 A 63 LYS HGy A 64 PRO HDx 1.0 1.8 6.52 1594 1165 A 63 LYS H A 63 LYS HGx 1.0 1.8 7.11 1595 1165 A 63 LYS H A 63 LYS HGy 1.0 1.8 7.11 1596 1166 A 73 THR HG2% A 64 PRO HBy 1.0 1.8 6.11 1597 1166 A 73 THR HG2% A 64 PRO HBx 1.0 1.8 6.11 1598 1167 A 73 THR HB A 64 PRO HDx 1.0 1.8 7.08 1599 1168 A 64 PRO HDx A 73 THR HG2% 1.0 1.8 5.86 1600 1169 A 64 PRO HDy A 73 THR HG2% 1.0 1.8 5.20 1601 1170 A 73 THR HG2% A 64 PRO HGy 1.0 1.8 6.44 1602 1170 A 73 THR HG2% A 64 PRO HGx 1.0 1.8 6.44 1603 1171 A 65 GLY HAx A 66 PRO HDy 1.0 1.8 5.09 1604 1171 A 66 PRO HDx A 65 GLY HAx 1.0 1.8 5.09 1605 1171 A 65 GLY HAy A 66 PRO HDx 1.0 1.8 5.09 1606 1171 A 65 GLY HAy A 66 PRO HDy 1.0 1.8 5.09 1607 1172 A 65 GLY HAy A 66 PRO HGy 1.0 1.8 6.39 1608 1172 A 65 GLY HAx A 66 PRO HGy 1.0 1.8 6.39 1609 1172 A 66 PRO HGx A 65 GLY HAx 1.0 1.8 6.39 1610 1172 A 65 GLY HAy A 66 PRO HGx 1.0 1.8 6.39 1611 1173 A 68 CYS H A 65 GLY HAx 1.0 1.8 6.80 1612 1173 A 65 GLY HAy A 68 CYS H 1.0 1.8 6.80 1613 1174 A 65 GLY H A 66 PRO HA 1.0 1.8 6.94 1614 1175 A 68 CYS H A 66 PRO HA 1.0 1.8 6.71 1615 1176 A 67 ASN H A 66 PRO HDy 1.0 1.8 6.71 1616 1176 A 66 PRO HDx A 67 ASN H 1.0 1.8 6.71 1617 1177 A 67 ASN H A 66 PRO HGy 1.0 1.8 6.21 1618 1177 A 66 PRO HGx A 67 ASN H 1.0 1.8 6.21 1619 1178 A 67 ASN HBy A 67 ASN HD2x 1.0 1.8 5.16 1620 1178 A 67 ASN HBx A 67 ASN HD2x 1.0 1.8 5.16 1621 1178 A 67 ASN HD2y A 67 ASN HBy 1.0 1.8 5.16 1622 1178 A 67 ASN HD2y A 67 ASN HBx 1.0 1.8 5.16 1623 1179 A 67 ASN HD2y A 68 CYS HBy 1.0 1.8 6.77 1624 1179 A 67 ASN HD2x A 68 CYS HBy 1.0 1.8 6.77 1625 1179 A 68 CYS HBx A 67 ASN HD2x 1.0 1.8 6.77 1626 1179 A 68 CYS HBx A 67 ASN HD2y 1.0 1.8 6.77 1627 1180 A 68 CYS H A 67 ASN H 1.0 1.8 5.93 1628 1181 A 68 CYS H A 68 CYS HBy 1.0 1.8 5.69 1629 1181 A 68 CYS HBx A 68 CYS H 1.0 1.8 5.69 1630 1182 A 70 PHE HA A 70 PHE HD% 1.0 1.8 6.11 1631 1183 A 72 LYS HBy A 71 GLY HAy 1.0 1.8 6.89 1632 1183 A 71 GLY HAy A 72 LYS HBx 1.0 1.8 6.89 1633 1184 A 72 LYS HBy A 71 GLY HAx 1.0 1.8 6.89 1634 1184 A 71 GLY HAx A 72 LYS HBx 1.0 1.8 6.89 1635 1185 A 71 GLY HAx A 72 LYS HBx 1.0 1.8 6.22 1636 1185 A 71 GLY HAy A 72 LYS HBx 1.0 1.8 6.22 1637 1185 A 72 LYS HBy A 71 GLY HAx 1.0 1.8 6.22 1638 1185 A 72 LYS HBy A 71 GLY HAy 1.0 1.8 6.22 1639 1186 A 72 LYS HA A 72 LYS HGx 1.0 1.8 5.91 1640 1186 A 72 LYS HA A 72 LYS HGy 1.0 1.8 5.91 1641 1187 A 73 THR H A 72 LYS HBx 1.0 1.8 5.02 1642 1187 A 72 LYS HBy A 73 THR H 1.0 1.8 5.02 1643 1188 A 76 ILE HD1% A 72 LYS HBx 1.0 1.8 5.01 1644 1188 A 76 ILE HD1% A 72 LYS HBy 1.0 1.8 5.01 1645 1189 A 76 ILE HG2% A 72 LYS HBx 1.0 1.8 6.37 1646 1189 A 76 ILE HG2% A 72 LYS HBy 1.0 1.8 6.37 1647 1190 A 72 LYS HDy A 72 LYS HEx 1.0 1.8 5.01 1648 1190 A 72 LYS HDx A 72 LYS HEx 1.0 1.8 5.01 1649 1190 A 72 LYS HEy A 72 LYS HDx 1.0 1.8 5.01 1650 1190 A 72 LYS HDy A 72 LYS HEy 1.0 1.8 5.01 1651 1191 A 73 THR H A 72 LYS HGx 1.0 1.8 5.95 1652 1191 A 72 LYS HGy A 73 THR H 1.0 1.8 5.95 1653 1192 A 76 ILE HD1% A 72 LYS HGx 1.0 1.8 5.73 1654 1192 A 76 ILE HD1% A 72 LYS HGy 1.0 1.8 5.73 1655 1193 A 72 LYS H A 72 LYS HBx 1.0 1.8 6.16 1656 1193 A 72 LYS HBy A 72 LYS H 1.0 1.8 6.16 1657 1194 A 73 THR HB A 72 LYS H 1.0 1.8 7.33 1658 1195 A 73 THR H A 72 LYS H 1.0 1.8 6.58 1659 1196 A 73 THR HA A 73 THR HG2% 1.0 1.8 5.19 1660 1197 A 74 GLY H A 73 THR HA 1.0 1.8 5.28 1661 1198 A 73 THR HA A 76 ILE HD1% 1.0 1.8 6.49 1662 1199 A 73 THR HB A 74 GLY HAx 1.0 1.8 7.33 1663 1199 A 73 THR HB A 74 GLY HAy 1.0 1.8 7.33 1664 1200 A 74 GLY H A 73 THR HB 1.0 1.8 5.75 1665 1201 A 74 GLY H A 73 THR HG2% 1.0 1.8 5.75 1666 1202 A 73 THR HA A 73 THR H 1.0 1.8 3.79 1667 1203 A 73 THR HB A 73 THR H 1.0 1.8 5.39 1668 1204 A 73 THR HG2% A 73 THR H 1.0 1.8 5.67 1669 1205 A 76 ILE HD1% A 73 THR H 1.0 1.8 6.57 1670 1206 A 75 ILE H A 74 GLY HAy 1.0 1.8 5.27 1671 1207 A 75 ILE H A 74 GLY HAx 1.0 1.8 5.27 1672 1208 A 75 ILE H A 74 GLY HAx 1.0 1.8 3.84 1673 1208 A 75 ILE H A 74 GLY HAy 1.0 1.8 3.84 1674 1209 A 76 ILE H A 74 GLY HAx 1.0 1.8 6.41 1675 1209 A 76 ILE H A 74 GLY HAy 1.0 1.8 6.41 1676 1210 A 74 GLY H A 75 ILE H 1.0 1.8 6.53 1677 1211 A 74 GLY H A 76 ILE HD1% 1.0 1.8 6.45 1678 1212 A 75 ILE HD1% A 75 ILE HA 1.0 1.8 5.14 1679 1213 A 75 ILE HA A 75 ILE HG1y 1.0 1.8 5.63 1680 1213 A 75 ILE HG1x A 75 ILE HA 1.0 1.8 5.63 1681 1214 A 75 ILE HG2% A 75 ILE HA 1.0 1.8 5.41 1682 1215 A 76 ILE HD1% A 75 ILE HA 1.0 1.8 6.19 1683 1216 A 75 ILE HB A 76 ILE H 1.0 1.8 6.55 1684 1217 A 76 ILE H A 75 ILE HG1y 1.0 1.8 6.30 1685 1217 A 75 ILE HG1x A 76 ILE H 1.0 1.8 6.30 1686 1218 A 76 ILE H A 75 ILE HG1y 1.0 1.8 7.01 1687 1218 A 75 ILE HG1x A 76 ILE H 1.0 1.8 7.01 1688 1219 A 76 ILE H A 75 ILE HG1y 1.0 1.8 7.01 1689 1219 A 75 ILE HG1x A 76 ILE H 1.0 1.8 7.01 1690 1220 A 75 ILE HG2% A 76 ILE H 1.0 1.8 5.47 1691 1221 A 75 ILE HG2% A 77 ASP HA 1.0 1.8 6.66 1692 1222 A 75 ILE HG2% A 77 ASP HBx 1.0 1.8 6.54 1693 1223 A 75 ILE HG2% A 77 ASP HBy 1.0 1.8 6.54 1694 1224 A 75 ILE HG2% A 77 ASP HBy 1.0 1.8 5.83 1695 1224 A 75 ILE HG2% A 77 ASP HBx 1.0 1.8 5.83 1696 1225 A 75 ILE HB A 75 ILE H 1.0 1.8 5.17 1697 1226 A 75 ILE H A 75 ILE HG1y 1.0 1.8 7.34 1698 1226 A 75 ILE HG1x A 75 ILE H 1.0 1.8 7.34 1699 1227 A 75 ILE HG2% A 75 ILE H 1.0 1.8 5.61 1700 1228 A 75 ILE H A 76 ILE HG1y 1.0 1.8 5.59 1701 1228 A 75 ILE H A 76 ILE HG1x 1.0 1.8 5.59 1702 1229 A 75 ILE H A 76 ILE H 1.0 1.8 6.36 1703 1230 A 76 ILE HD1% A 76 ILE HA 1.0 1.8 5.21 1704 1231 A 76 ILE HG2% A 76 ILE HA 1.0 1.8 5.23 1705 1232 A 76 ILE HA A 77 ASP HBy 1.0 1.8 6.55 1706 1232 A 77 ASP HBx A 76 ILE HA 1.0 1.8 6.55 1707 1233 A 76 ILE HA A 77 ASP H 1.0 1.8 5.36 1708 1234 A 76 ILE HB A 77 ASP HBy 1.0 1.8 6.33 1709 1234 A 77 ASP HBx A 76 ILE HB 1.0 1.8 6.33 1710 1235 A 76 ILE HD1% A 77 ASP H 1.0 1.8 5.83 1711 1236 A 76 ILE HG2% A 76 ILE HD1% 1.0 1.8 3.89 1712 1237 A 77 ASP HA A 76 ILE HG2% 1.0 1.8 6.39 1713 1238 A 76 ILE HG2% A 77 ASP H 1.0 1.8 5.83 1714 1239 A 76 ILE H A 76 ILE HD1% 1.0 1.8 7.08 1715 1240 A 76 ILE H A 76 ILE HG1y 1.0 1.8 5.83 1716 1240 A 76 ILE HG1x A 76 ILE H 1.0 1.8 5.83 1717 1241 A 76 ILE H A 76 ILE HG1y 1.0 1.8 6.09 1718 1241 A 76 ILE HG1x A 76 ILE H 1.0 1.8 6.09 1719 1242 A 77 ASP HBx A 78 TYR H 1.0 1.8 7.50 1720 1243 A 78 TYR H A 77 ASP HBy 1.0 1.8 7.50 1721 1244 A 77 ASP HBx A 77 ASP H 1.0 1.8 5.87 1722 1245 A 77 ASP H A 77 ASP HBy 1.0 1.8 5.87 1723 1246 A 77 ASP H A 77 ASP HBy 1.0 1.8 5.35 1724 1246 A 77 ASP HBx A 77 ASP H 1.0 1.8 5.35 1725 1247 A 77 ASP H A 78 TYR HE% 1.0 1.8 7.22 1726 1248 A 78 TYR H A 77 ASP H 1.0 1.8 7.34 1727 1249 A 79 GLY H A 78 TYR HBy 1.0 1.8 6.17 1728 1249 A 79 GLY H A 78 TYR HBx 1.0 1.8 6.17 1729 1250 A 79 GLY H A 78 TYR HD% 1.0 1.8 6.81 1730 1251 A 79 GLY H A 78 TYR H 1.0 1.8 5.70 1731 1252 A 80 ILE HD1% A 79 GLY HAy 1.0 1.8 7.34 1732 1253 A 80 ILE HG1x A 79 GLY HAy 1.0 1.8 6.68 1733 1253 A 79 GLY HAy A 80 ILE HG1y 1.0 1.8 6.68 1734 1254 A 80 ILE H A 79 GLY HAy 1.0 1.8 5.28 1735 1255 A 80 ILE HD1% A 79 GLY HAx 1.0 1.8 7.34 1736 1256 A 80 ILE HG1x A 79 GLY HAx 1.0 1.8 6.68 1737 1256 A 79 GLY HAx A 80 ILE HG1y 1.0 1.8 6.68 1738 1257 A 80 ILE H A 79 GLY HAx 1.0 1.8 5.28 1739 1258 A 80 ILE HD1% A 79 GLY HAx 1.0 1.8 6.54 1740 1258 A 80 ILE HD1% A 79 GLY HAy 1.0 1.8 6.54 1741 1259 A 79 GLY HAy A 80 ILE HG1y 1.0 1.8 5.99 1742 1259 A 79 GLY HAx A 80 ILE HG1y 1.0 1.8 5.99 1743 1259 A 80 ILE HG1x A 79 GLY HAx 1.0 1.8 5.99 1744 1259 A 80 ILE HG1x A 79 GLY HAy 1.0 1.8 5.99 1745 1260 A 79 GLY HAy A 80 ILE HG1y 1.0 1.8 6.95 1746 1260 A 79 GLY HAx A 80 ILE HG1y 1.0 1.8 6.95 1747 1260 A 80 ILE HG1x A 79 GLY HAx 1.0 1.8 6.95 1748 1260 A 80 ILE HG1x A 79 GLY HAy 1.0 1.8 6.95 1749 1261 A 79 GLY H A 80 ILE HG1y 1.0 1.8 6.27 1750 1261 A 79 GLY H A 80 ILE HG1x 1.0 1.8 6.27 1751 1262 A 80 ILE HG2% A 79 GLY H 1.0 1.8 7.04 1752 1263 A 80 ILE H A 79 GLY H 1.0 1.8 6.09 1753 1264 A 80 ILE HD1% A 80 ILE HA 1.0 1.8 5.43 1754 1265 A 80 ILE HA A 80 ILE HG1y 1.0 1.8 5.93 1755 1265 A 80 ILE HA A 80 ILE HG1x 1.0 1.8 5.93 1756 1266 A 80 ILE HA A 80 ILE HG1y 1.0 1.8 6.22 1757 1266 A 80 ILE HA A 80 ILE HG1x 1.0 1.8 6.22 1758 1267 A 80 ILE HG2% A 80 ILE HA 1.0 1.8 5.33 1759 1268 A 80 ILE HA A 81 ARG H 1.0 1.8 5.57 1760 1269 A 80 ILE HD1% A 80 ILE HB 1.0 1.8 5.09 1761 1270 A 80 ILE HG2% A 80 ILE HG1y 1.0 1.8 3.99 1762 1270 A 80 ILE HG2% A 80 ILE HG1x 1.0 1.8 3.99 1763 1271 A 80 ILE HG2% A 80 ILE HG1y 1.0 1.8 5.15 1764 1271 A 80 ILE HG2% A 80 ILE HG1x 1.0 1.8 5.15 1765 1272 A 80 ILE HG2% A 81 ARG H 1.0 1.8 5.79 1766 1273 A 80 ILE H A 80 ILE HB 1.0 1.8 5.07 1767 1274 A 80 ILE H A 80 ILE HG1y 1.0 1.8 5.17 1768 1274 A 80 ILE H A 80 ILE HG1x 1.0 1.8 5.17 1769 1275 A 80 ILE H A 80 ILE HG1y 1.0 1.8 5.39 1770 1275 A 80 ILE H A 80 ILE HG1x 1.0 1.8 5.39 1771 1276 A 80 ILE HG2% A 80 ILE H 1.0 1.8 5.35 1772 1277 A 81 ARG HA A 81 ARG HDy 1.0 1.8 5.84 1773 1278 A 81 ARG HDx A 81 ARG HA 1.0 1.8 5.84 1774 1279 A 81 ARG HA A 82 LEU HBx 1.0 1.8 6.27 1775 1279 A 81 ARG HA A 82 LEU HBy 1.0 1.8 6.27 1776 1280 A 81 ARG HA A 83 ASN HBx 1.0 1.8 5.62 1777 1280 A 81 ARG HA A 83 ASN HBy 1.0 1.8 5.62 1778 1281 A 81 ARG HA A 83 ASN H 1.0 1.8 6.26 1779 1282 A 81 ARG HE A 81 ARG HBx 1.0 1.8 7.10 1780 1282 A 81 ARG HBy A 81 ARG HE 1.0 1.8 7.10 1781 1283 A 81 ARG HBy A 83 ASN HBx 1.0 1.8 6.40 1782 1283 A 81 ARG HBx A 83 ASN HBx 1.0 1.8 6.40 1783 1283 A 83 ASN HBy A 81 ARG HBx 1.0 1.8 6.40 1784 1283 A 81 ARG HBy A 83 ASN HBy 1.0 1.8 6.40 1785 1284 A 83 ASN H A 81 ARG HBx 1.0 1.8 5.96 1786 1284 A 81 ARG HBy A 83 ASN H 1.0 1.8 5.96 1787 1285 A 81 ARG H A 81 ARG HBx 1.0 1.8 5.96 1788 1285 A 81 ARG H A 81 ARG HBy 1.0 1.8 5.96 1789 1286 A 81 ARG H A 81 ARG HDy 1.0 1.8 6.32 1790 1287 A 81 ARG H A 81 ARG HDx 1.0 1.8 6.32 1791 1288 A 81 ARG H A 81 ARG HE 1.0 1.8 7.33 1792 1289 A 81 ARG H A 81 ARG HGx 1.0 1.8 6.13 1793 1290 A 81 ARG H A 81 ARG HGy 1.0 1.8 6.13 1794 1291 A 81 ARG H A 81 ARG HGy 1.0 1.8 5.63 1795 1291 A 81 ARG H A 81 ARG HGx 1.0 1.8 5.63 1796 1292 A 81 ARG H A 83 ASN HD2y 1.0 1.8 7.36 1797 1293 A 82 LEU HA A 82 LEU HBx 1.0 1.8 3.62 1798 1293 A 82 LEU HBy A 82 LEU HA 1.0 1.8 3.62 1799 1294 A 82 LEU HA A 82 LEU HDx% 1.0 1.8 3.94 1800 1294 A 82 LEU HA A 82 LEU HDy% 1.0 1.8 3.94 1801 1295 A 84 ARG H A 82 LEU HA 1.0 1.8 6.09 1802 1296 A 82 LEU HBy A 82 LEU HDx% 1.0 1.8 3.63 1803 1296 A 82 LEU HBx A 82 LEU HDx% 1.0 1.8 3.63 1804 1296 A 82 LEU HDy% A 82 LEU HBx 1.0 1.8 3.63 1805 1296 A 82 LEU HBy A 82 LEU HDy% 1.0 1.8 3.63 1806 1297 A 83 ASN H A 82 LEU HBx 1.0 1.8 5.98 1807 1297 A 82 LEU HBy A 83 ASN H 1.0 1.8 5.98 1808 1298 A 83 ASN H A 82 LEU HDx% 1.0 1.8 6.16 1809 1298 A 83 ASN H A 82 LEU HDy% 1.0 1.8 6.16 1810 1299 A 82 LEU H A 82 LEU HBx 1.0 1.8 6.09 1811 1300 A 82 LEU HBy A 82 LEU H 1.0 1.8 6.09 1812 1301 A 82 LEU H A 82 LEU HBx 1.0 1.8 5.57 1813 1301 A 82 LEU HBy A 82 LEU H 1.0 1.8 5.57 1814 1302 A 82 LEU H A 82 LEU HG 1.0 1.8 6.70 1815 1303 A 83 ASN HD2y A 82 LEU H 1.0 1.8 6.87 1816 1304 A 83 ASN H A 82 LEU H 1.0 1.8 5.88 1817 1305 A 83 ASN HA A 84 ARG HGx 1.0 1.8 6.23 1818 1305 A 83 ASN HA A 84 ARG HGy 1.0 1.8 6.23 1819 1306 A 84 ARG H A 83 ASN HA 1.0 1.8 5.25 1820 1307 A 85 SER H A 83 ASN HA 1.0 1.8 5.76 1821 1308 A 86 GLU HBx A 83 ASN HBx 1.0 1.8 6.18 1822 1308 A 86 GLU HBx A 83 ASN HBy 1.0 1.8 6.18 1823 1309 A 84 ARG H A 83 ASN HD2y 1.0 1.8 6.74 1824 1310 A 86 GLU HA A 83 ASN HD2x 1.0 1.8 7.50 1825 1311 A 86 GLU HBx A 83 ASN HD2x 1.0 1.8 6.96 1826 1312 A 83 ASN HD2x A 86 GLU HGx 1.0 1.8 5.95 1827 1312 A 83 ASN HD2x A 86 GLU HGy 1.0 1.8 5.95 1828 1313 A 83 ASN H A 83 ASN HBx 1.0 1.8 5.45 1829 1314 A 83 ASN HBy A 83 ASN H 1.0 1.8 5.45 1830 1315 A 83 ASN H A 83 ASN HBx 1.0 1.8 5.01 1831 1315 A 83 ASN HBy A 83 ASN H 1.0 1.8 5.01 1832 1316 A 83 ASN H A 83 ASN HD2y 1.0 1.8 6.61 1833 1317 A 83 ASN H A 83 ASN HD2x 1.0 1.8 6.54 1834 1318 A 84 ARG H A 83 ASN H 1.0 1.8 3.64 1835 1319 A 84 ARG HA A 84 ARG HDx 1.0 1.8 5.93 1836 1319 A 84 ARG HA A 84 ARG HDy 1.0 1.8 5.93 1837 1320 A 84 ARG HA A 84 ARG HGx 1.0 1.8 5.67 1838 1320 A 84 ARG HA A 84 ARG HGy 1.0 1.8 5.67 1839 1321 A 85 SER H A 84 ARG HA 1.0 1.8 5.37 1840 1322 A 85 SER HA A 84 ARG HDx 1.0 1.8 7.34 1841 1322 A 85 SER HA A 84 ARG HDy 1.0 1.8 7.34 1842 1323 A 84 ARG HDx A 85 SER HBx 1.0 1.8 6.85 1843 1323 A 84 ARG HDy A 85 SER HBx 1.0 1.8 6.85 1844 1323 A 85 SER HBy A 84 ARG HDx 1.0 1.8 6.85 1845 1323 A 85 SER HBy A 84 ARG HDy 1.0 1.8 6.85 1846 1324 A 85 SER H A 84 ARG HGx 1.0 1.8 5.78 1847 1324 A 85 SER H A 84 ARG HGy 1.0 1.8 5.78 1848 1325 A 86 GLU H A 84 ARG HGx 1.0 1.8 6.71 1849 1325 A 84 ARG HGy A 86 GLU H 1.0 1.8 6.71 1850 1326 A 84 ARG H A 84 ARG HGx 1.0 1.8 6.09 1851 1326 A 84 ARG H A 84 ARG HGy 1.0 1.8 6.09 1852 1327 A 86 GLU H A 85 SER HBx 1.0 1.8 6.58 1853 1327 A 85 SER HBy A 86 GLU H 1.0 1.8 6.58 1854 1328 A 85 SER H A 85 SER HBx 1.0 1.8 5.07 1855 1328 A 85 SER HBy A 85 SER H 1.0 1.8 5.07 1856 1329 A 85 SER H A 86 GLU HBx 1.0 1.8 6.21 1857 1330 A 85 SER H A 86 GLU HGx 1.0 1.8 5.97 1858 1330 A 85 SER H A 86 GLU HGy 1.0 1.8 5.97 1859 1331 A 85 SER H A 86 GLU H 1.0 1.8 5.38 1860 1332 A 86 GLU HA A 86 GLU HGx 1.0 1.8 5.99 1861 1332 A 86 GLU HA A 86 GLU HGy 1.0 1.8 5.99 1862 1333 A 87 ARG H A 86 GLU HA 1.0 1.8 5.07 1863 1334 A 87 ARG H A 86 GLU HBx 1.0 1.8 5.56 1864 1335 A 86 GLU HBx A 88 TRP HE1 1.0 1.8 6.45 1865 1336 A 87 ARG H A 86 GLU HBy 1.0 1.8 5.69 1866 1337 A 88 TRP HE1 A 86 GLU HBy 1.0 1.8 6.29 1867 1338 A 87 ARG H A 86 GLU HGx 1.0 1.8 6.19 1868 1338 A 87 ARG H A 86 GLU HGy 1.0 1.8 6.19 1869 1339 A 88 TRP HE1 A 86 GLU HGx 1.0 1.8 7.11 1870 1339 A 88 TRP HE1 A 86 GLU HGy 1.0 1.8 7.11 1871 1340 A 86 GLU HBx A 86 GLU H 1.0 1.8 5.83 1872 1341 A 86 GLU HBy A 86 GLU H 1.0 1.8 6.16 1873 1342 A 86 GLU H A 86 GLU HGx 1.0 1.8 6.21 1874 1342 A 86 GLU HGy A 86 GLU H 1.0 1.8 6.21 1875 1343 A 88 TRP HE1 A 86 GLU H 1.0 1.8 7.07 1876 1344 A 87 ARG HA A 87 ARG HGx 1.0 1.8 5.91 1877 1344 A 87 ARG HA A 87 ARG HGy 1.0 1.8 5.91 1878 1345 A 87 ARG HBx A 87 ARG HDx 1.0 1.8 3.65 1879 1345 A 87 ARG HBy A 87 ARG HDx 1.0 1.8 3.65 1880 1345 A 87 ARG HDy A 87 ARG HBy 1.0 1.8 3.65 1881 1345 A 87 ARG HBx A 87 ARG HDy 1.0 1.8 3.65 1882 1346 A 88 TRP H A 87 ARG HBy 1.0 1.8 5.97 1883 1346 A 87 ARG HBx A 88 TRP H 1.0 1.8 5.97 1884 1347 A 88 TRP H A 87 ARG HDx 1.0 1.8 6.54 1885 1347 A 87 ARG HDy A 88 TRP H 1.0 1.8 6.54 1886 1348 A 88 TRP H A 87 ARG HGx 1.0 1.8 6.48 1887 1348 A 88 TRP H A 87 ARG HGy 1.0 1.8 6.48 1888 1349 A 87 ARG H A 87 ARG HBy 1.0 1.8 5.14 1889 1349 A 87 ARG HBx A 87 ARG H 1.0 1.8 5.14 1890 1350 A 87 ARG H A 87 ARG HDx 1.0 1.8 5.89 1891 1350 A 87 ARG HDy A 87 ARG H 1.0 1.8 5.89 1892 1351 A 87 ARG H A 87 ARG HGx 1.0 1.8 5.64 1893 1351 A 87 ARG H A 87 ARG HGy 1.0 1.8 5.64 1894 1352 A 87 ARG H A 88 TRP HE1 1.0 1.8 6.37 1895 1353 A 88 TRP H A 87 ARG H 1.0 1.8 6.43 1896 1354 A 88 TRP HA A 88 TRP HE3 1.0 1.8 6.00 1897 1355 A 89 ASP H A 88 TRP HBx 1.0 1.8 6.76 1898 1356 A 88 TRP HBy A 89 ASP H 1.0 1.8 6.76 1899 1357 A 89 ASP HA A 88 TRP HBx 1.0 1.8 7.34 1900 1357 A 89 ASP HA A 88 TRP HBy 1.0 1.8 7.34 1901 1358 A 89 ASP H A 88 TRP HBx 1.0 1.8 5.95 1902 1358 A 88 TRP HBy A 89 ASP H 1.0 1.8 5.95 1903 1359 A 88 TRP H A 88 TRP HD1 1.0 1.8 6.63 1904 1360 A 89 ASP H A 88 TRP H 1.0 1.8 6.78 1905 1361 A 90 ALA HB% A 89 ASP HA 1.0 1.8 6.46 1906 1362 A 90 ALA H A 89 ASP HBx 1.0 1.8 5.21 1907 1363 A 90 ALA H A 89 ASP HBy 1.0 1.8 5.21 1908 1364 A 90 ALA HB% A 89 ASP HBy 1.0 1.8 6.03 1909 1364 A 90 ALA HB% A 89 ASP HBx 1.0 1.8 6.03 1910 1365 A 90 ALA HB% A 91 TYR HA 1.0 1.8 6.64 1911 1366 A 90 ALA HB% A 91 TYR H 1.0 1.8 5.66 1912 1367 A 90 ALA H A 90 ALA HB% 1.0 1.8 5.24 1913 1368 A 91 TYR HD% A 91 TYR HA 1.0 1.8 6.29 1914 1369 A 92 CYS H A 91 TYR HA 1.0 1.8 5.21 1915 1370 A 92 CYS H A 91 TYR HBx 1.0 1.8 6.10 1916 1371 A 91 TYR HBy A 92 CYS H 1.0 1.8 6.14 1917 1372 A 91 TYR H A 91 TYR HBx 1.0 1.8 5.94 1918 1373 A 91 TYR HBy A 91 TYR H 1.0 1.8 5.97 1919 1374 A 91 TYR HD% A 91 TYR H 1.0 1.8 6.45 1920 1375 A 93 TYR HA A 92 CYS HA 1.0 1.8 5.56 1921 1376 A 93 TYR HBy A 92 CYS HA 1.0 1.8 7.50 1922 1377 A 93 TYR H A 92 CYS HA 1.0 1.8 5.37 1923 1378 A 93 TYR H A 92 CYS HBy 1.0 1.8 5.68 1924 1378 A 93 TYR H A 92 CYS HBx 1.0 1.8 5.68 1925 1379 A 92 CYS H A 92 CYS HBx 1.0 1.8 6.04 1926 1380 A 92 CYS H A 92 CYS HBy 1.0 1.8 6.04 1927 1381 A 92 CYS H A 92 CYS HBy 1.0 1.8 5.48 1928 1381 A 92 CYS H A 92 CYS HBx 1.0 1.8 5.48 1929 1382 A 93 TYR H A 92 CYS H 1.0 1.8 5.90 1930 1383 A 94 ASN H A 93 TYR HA 1.0 1.8 5.19 1931 1384 A 94 ASN H A 93 TYR HBx 1.0 1.8 6.39 1932 1385 A 93 TYR HE% A 94 ASN H 1.0 1.8 6.04 1933 1386 A 93 TYR HE% A 95 PRO HA 1.0 1.8 6.54 1934 1387 A 93 TYR HE% A 95 PRO HBy 1.0 1.8 6.59 1935 1387 A 93 TYR HE% A 95 PRO HBx 1.0 1.8 6.59 1936 1388 A 93 TYR HE% A 95 PRO HDx 1.0 1.8 6.70 1937 1389 A 93 TYR HE% A 95 PRO HDy 1.0 1.8 6.70 1938 1390 A 93 TYR HE% A 95 PRO HDx 1.0 1.8 6.04 1939 1390 A 93 TYR HE% A 95 PRO HDy 1.0 1.8 6.04 1940 1391 A 93 TYR HBx A 93 TYR H 1.0 1.8 5.85 1941 1392 A 94 ASN H A 93 TYR H 1.0 1.8 6.90 1942 1393 A 94 ASN HA A 95 PRO HA 1.0 1.8 6.62 1943 1394 A 94 ASN HA A 95 PRO HDx 1.0 1.8 5.50 1944 1395 A 94 ASN HA A 95 PRO HDy 1.0 1.8 5.50 1945 1396 A 94 ASN HA A 95 PRO HDx 1.0 1.8 5.05 1946 1396 A 94 ASN HA A 95 PRO HDy 1.0 1.8 5.05 1947 1397 A 94 ASN HA A 95 PRO HGx 1.0 1.8 6.95 1948 1398 A 94 ASN HA A 95 PRO HGy 1.0 1.8 6.95 1949 1399 A 94 ASN HA A 95 PRO HGx 1.0 1.8 6.33 1950 1399 A 94 ASN HA A 95 PRO HGy 1.0 1.8 6.33 1951 1400 A 94 ASN HBy A 95 PRO HDx 1.0 1.8 6.60 1952 1400 A 94 ASN HBx A 95 PRO HDx 1.0 1.8 6.60 1953 1400 A 95 PRO HDy A 94 ASN HBx 1.0 1.8 6.60 1954 1400 A 94 ASN HBy A 95 PRO HDy 1.0 1.8 6.60 1955 1401 A 96 HIS H A 94 ASN HBx 1.0 1.8 6.26 1956 1401 A 94 ASN HBy A 96 HIS H 1.0 1.8 6.26 1957 1402 A 97 ALA HB% A 94 ASN HBx 1.0 1.8 5.27 1958 1402 A 94 ASN HBy A 97 ALA HB% 1.0 1.8 5.27 1959 1403 A 97 ALA H A 94 ASN HBx 1.0 1.8 5.76 1960 1403 A 94 ASN HBy A 97 ALA H 1.0 1.8 5.76 1961 1404 A 94 ASN H A 94 ASN HBx 1.0 1.8 5.48 1962 1404 A 94 ASN H A 94 ASN HBy 1.0 1.8 5.48 1963 1405 A 94 ASN H A 95 PRO HDx 1.0 1.8 7.35 1964 1405 A 94 ASN H A 95 PRO HDy 1.0 1.8 7.35 1965 1406 A 94 ASN H A 97 ALA HB% 1.0 1.8 6.68 1966 1407 A 96 HIS H A 95 PRO HBy 1.0 1.8 5.91 1967 1407 A 95 PRO HBx A 96 HIS H 1.0 1.8 5.91 1968 1408 A 96 HIS H A 95 PRO HDx 1.0 1.8 5.73 1969 1408 A 95 PRO HDy A 96 HIS H 1.0 1.8 5.73 1970 1409 A 97 ALA H A 95 PRO HDx 1.0 1.8 6.84 1971 1409 A 95 PRO HDy A 97 ALA H 1.0 1.8 6.84 1972 1410 A 96 HIS H A 95 PRO HGx 1.0 1.8 6.28 1973 1411 A 95 PRO HGy A 96 HIS H 1.0 1.8 6.28 1974 1412 A 96 HIS H A 95 PRO HGx 1.0 1.8 5.59 1975 1412 A 95 PRO HGy A 96 HIS H 1.0 1.8 5.59 1976 1413 A 97 ALA H A 95 PRO HGx 1.0 1.8 7.04 1977 1413 A 95 PRO HGy A 97 ALA H 1.0 1.8 7.04 1978 1414 A 97 ALA H A 96 HIS HA 1.0 1.8 5.49 1979 1415 A 97 ALA H A 96 HIS HBx 1.0 1.8 5.94 1980 1416 A 97 ALA H A 96 HIS HBy 1.0 1.8 5.94 1981 1417 A 97 ALA HB% A 96 HIS HBx 1.0 1.8 6.56 1982 1417 A 97 ALA HB% A 96 HIS HBy 1.0 1.8 6.56 1983 1418 A 97 ALA H A 96 HIS HBx 1.0 1.8 5.45 1984 1418 A 97 ALA H A 96 HIS HBy 1.0 1.8 5.45 1985 1419 A 96 HIS H A 96 HIS HBx 1.0 1.8 5.49 1986 1420 A 96 HIS H A 96 HIS HBy 1.0 1.8 5.49 1987 1421 A 96 HIS H A 96 HIS HBx 1.0 1.8 3.97 1988 1421 A 96 HIS H A 96 HIS HBy 1.0 1.8 3.97 1989 1422 A 96 HIS H A 97 ALA HB% 1.0 1.8 6.40 1990 1423 A 96 HIS H A 97 ALA H 1.0 1.8 5.07 1991 1424 A 97 ALA HA A 98 LYS H 1.0 1.8 3.64 1992 1425 A 97 ALA HB% A 98 LYS H 1.0 1.8 5.16 1993 1426 A 97 ALA HB% A 97 ALA H 1.0 1.8 3.84 1994 1427 A 97 ALA H A 98 LYS H 1.0 1.8 5.95 1995 1428 A 98 LYS HA A 98 LYS HDx 1.0 1.8 5.51 1996 1428 A 98 LYS HA A 98 LYS HDy 1.0 1.8 5.51 1997 1429 A 98 LYS HBx A 98 LYS HEx 1.0 1.8 3.42 1998 1429 A 98 LYS HBy A 98 LYS HEx 1.0 1.8 3.42 1999 1429 A 98 LYS HEy A 98 LYS HBy 1.0 1.8 3.42 2000 1429 A 98 LYS HBx A 98 LYS HEy 1.0 1.8 3.42 2001 1430 A 98 LYS H A 98 LYS HBy 1.0 1.8 3.93 2002 1430 A 98 LYS H A 98 LYS HBx 1.0 1.8 3.93 2003 1431 A 98 LYS H A 98 LYS HGx 1.0 1.8 7.15 2004 1431 A 98 LYS H A 98 LYS HGy 1.0 1.8 7.15 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 undefined _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 23 CYS SG A 92 CYS SG 1.0 2.0 2.2 2 2 A 23 CYS SG A 92 CYS SG 1.0 2.0 2.2 3 3 A 47 CYS SG A 68 CYS SG 1.0 2.0 2.2 4 4 A 47 CYS SG A 68 CYS SG 1.0 2.0 2.2 5 5 A 23 CYS SG A 92 CYS CB 1.0 3.0 3.2 6 6 A 23 CYS SG A 92 CYS CB 1.0 3.0 3.2 7 7 A 47 CYS SG A 68 CYS CB 1.0 3.0 3.2 8 8 A 47 CYS SG A 68 CYS CB 1.0 3.0 3.2 9 9 A 92 CYS SG A 23 CYS CB 1.0 3.0 3.2 10 10 A 92 CYS SG A 23 CYS CB 1.0 3.0 3.2 11 11 A 68 CYS SG A 47 CYS CB 1.0 3.0 3.2 12 12 A 68 CYS SG A 47 CYS CB 1.0 3.0 3.2 stop_ save_