data_nef_c18508_2lu4 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 BMRB 18507 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 ALA middle . . 3 A 3 MET middle . . 4 A 4 GLY middle . false 5 A 5 ILE middle . . 6 A 6 ARG middle . . 7 A 7 ASN middle . . 8 A 8 SER middle . . 9 A 9 ASP middle . . 10 A 10 SER middle . . 11 A 11 VAL middle . . 12 A 12 LYS middle . . 13 A 13 PRO middle . false 14 A 14 THR middle . . 15 A 15 GLN middle . . 16 A 16 GLN middle . . 17 A 17 ALA middle . . 18 A 18 ARG middle . . 19 A 19 PRO middle . false 20 A 20 THR middle . . 21 A 21 VAL middle . . 22 A 22 ILE middle . . 23 A 23 ARG middle . . 24 A 24 TRP middle . . 25 A 25 SER middle . . 26 A 26 GLU middle . . 27 A 27 GLY middle . false 28 A 28 GLY middle . false 29 A 29 LYS middle . . 30 A 30 GLU middle . . 31 A 31 VAL middle . . 32 A 32 PHE middle . . 33 A 33 ILE middle . . 34 A 34 SER middle . . 35 A 35 GLY middle . false 36 A 36 SER middle . . 37 A 37 PHE middle . . 38 A 38 ASN middle . . 39 A 39 ASN middle . . 40 A 40 TRP middle . . 41 A 41 SER middle . . 42 A 42 THR middle . . 43 A 43 LYS middle . . 44 A 44 ILE middle . . 45 A 45 PRO middle . false 46 A 46 LEU middle . . 47 A 47 ILE middle . . 48 A 48 LYS middle . . 49 A 49 SER middle . . 50 A 50 HIS middle . . 51 A 51 ASN middle . . 52 A 52 ASP middle . . 53 A 53 PHE middle . . 54 A 54 VAL middle . . 55 A 55 ALA middle . . 56 A 56 ILE middle . . 57 A 57 LEU middle . . 58 A 58 ASP middle . . 59 A 59 LEU middle . . 60 A 60 PRO middle . false 61 A 61 GLU middle . . 62 A 62 GLY middle . false 63 A 63 GLU middle . . 64 A 64 HIS middle . . 65 A 65 GLN middle . . 66 A 66 TYR middle . . 67 A 67 LYS middle . . 68 A 68 PHE middle . . 69 A 69 PHE middle . . 70 A 70 VAL middle . . 71 A 71 ASP middle . . 72 A 72 GLY middle . false 73 A 73 GLN middle . . 74 A 74 TRP middle . . 75 A 75 VAL middle . . 76 A 76 HIS middle . . 77 A 77 ASP middle . . 78 A 78 PRO middle . false 79 A 79 SER middle . . 80 A 80 GLU middle . . 81 A 81 PRO middle . false 82 A 82 VAL middle . . 83 A 83 VAL middle . . 84 A 84 THR middle . . 85 A 85 SER middle . . 86 A 86 GLN middle . . 87 A 87 LEU middle . . 88 A 88 GLY middle . false 89 A 89 THR middle . . 90 A 90 ILE middle . . 91 A 91 ASN middle . . 92 A 92 ASN middle . . 93 A 93 LEU middle . . 94 A 94 ILE middle . . 95 A 95 HIS middle . . 96 A 96 VAL middle . . 97 A 97 LYS middle . . 98 A 98 LYS middle . . 99 A 99 SER middle . . 100 A 100 ASP middle . . 101 A 101 PHE middle . . 102 A 102 GLU middle . . 103 A 103 VAL middle . . 104 A 104 PHE middle . . 105 A 105 ASP 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 C C 13 181.637 0.000 A 2 ALA H H 1 7.160 0.000 A 2 ALA HA H 1 4.355 0.011 A 2 ALA HB% H 1 1.386 0.008 A 2 ALA C C 13 177.706 0.041 A 2 ALA CA C 13 52.606 0.069 A 2 ALA CB C 13 19.392 0.051 A 2 ALA N N 15 116.886 0.018 A 3 MET H H 1 8.525 0.003 A 3 MET HA H 1 4.477 0.010 A 3 MET HBx H 1 2.052 0.010 A 3 MET HBy H 1 2.102 0.000 A 3 MET HGx H 1 2.589 0.016 A 3 MET HGy H 1 2.622 0.015 A 3 MET C C 13 176.670 0.008 A 3 MET CA C 13 55.587 0.033 A 3 MET CB C 13 32.898 0.025 A 3 MET CG C 13 31.897 0.138 A 3 MET N N 15 119.671 0.022 A 4 GLY H H 1 8.395 0.003 A 4 GLY HAx H 1 3.931 0.000 A 4 GLY C C 13 173.834 0.023 A 4 GLY CA C 13 45.322 0.025 A 4 GLY N N 15 110.196 0.042 A 5 ILE H H 1 7.986 0.005 A 5 ILE HA H 1 4.185 0.020 A 5 ILE HB H 1 1.850 0.004 A 5 ILE HD1% H 1 0.853 0.007 A 5 ILE HG1x H 1 1.178 0.006 A 5 ILE HG1y H 1 1.443 0.010 A 5 ILE HG2% H 1 0.906 0.002 A 5 ILE C C 13 176.241 0.025 A 5 ILE CA C 13 61.105 0.083 A 5 ILE CB C 13 38.877 0.104 A 5 ILE CD1 C 13 12.863 0.058 A 5 ILE CG1 C 13 27.246 0.031 A 5 ILE CG2 C 13 17.554 0.055 A 5 ILE N N 15 120.204 0.042 A 6 ARG H H 1 8.464 0.005 A 6 ARG HA H 1 4.371 0.005 A 6 ARG HBx H 1 1.751 0.010 A 6 ARG HBy H 1 1.835 0.007 A 6 ARG HDx H 1 3.183 0.005 A 6 ARG HGx H 1 1.617 0.005 A 6 ARG C C 13 175.963 0.000 A 6 ARG CA C 13 55.901 0.018 A 6 ARG CB C 13 30.913 0.075 A 6 ARG CD C 13 43.351 0.000 A 6 ARG CG C 13 27.124 0.000 A 6 ARG N N 15 125.289 0.039 A 7 ASN H H 1 8.552 0.008 A 7 ASN HA H 1 4.702 0.008 A 7 ASN HBx H 1 2.815 0.013 A 7 ASN HBy H 1 2.815 0.013 A 7 ASN CA C 13 53.489 0.029 A 7 ASN CB C 13 38.921 0.073 A 7 ASN N N 15 120.955 0.076 A 8 SER H H 1 8.369 0.007 A 8 SER HA H 1 4.418 0.014 A 8 SER HBx H 1 3.831 0.016 A 8 SER HBy H 1 3.920 0.005 A 8 SER C C 13 174.411 0.000 A 8 SER CA C 13 58.729 0.088 A 8 SER CB C 13 63.748 0.065 A 8 SER N N 15 116.049 0.102 A 9 ASP H H 1 8.336 0.005 A 9 ASP HA H 1 4.631 0.013 A 9 ASP HBx H 1 2.680 0.010 A 9 ASP HBy H 1 2.680 0.010 A 9 ASP C C 13 176.309 0.002 A 9 ASP CA C 13 54.633 0.103 A 9 ASP CB C 13 41.099 0.008 A 9 ASP N N 15 122.115 0.025 A 10 SER H H 1 8.140 0.011 A 10 SER HA H 1 4.427 0.004 A 10 SER HBx H 1 3.848 0.006 A 10 SER HBy H 1 3.848 0.006 A 10 SER C C 13 174.344 0.000 A 10 SER CA C 13 58.568 0.089 A 10 SER CB C 13 63.894 0.026 A 10 SER N N 15 115.473 0.065 A 11 VAL H H 1 8.044 0.014 A 11 VAL HA H 1 4.111 0.008 A 11 VAL HB H 1 2.062 0.010 A 11 VAL HGx% H 1 0.909 0.005 A 11 VAL C C 13 175.840 0.008 A 11 VAL CA C 13 62.225 0.070 A 11 VAL CB C 13 32.578 0.066 A 11 VAL CGx C 13 20.868 0.014 A 11 VAL N N 15 121.765 0.126 A 12 LYS H H 1 8.357 0.009 A 12 LYS HBx H 1 1.806 0.000 A 12 LYS HDy H 1 1.703 0.000 A 12 LYS HGy H 1 1.458 0.000 A 12 LYS CA C 13 54.152 0.000 A 12 LYS CB C 13 32.576 0.000 A 12 LYS N N 15 126.665 0.118 A 13 PRO HA H 1 4.487 0.005 A 13 PRO HBx H 1 1.915 0.006 A 13 PRO HBy H 1 2.300 0.006 A 13 PRO HDx H 1 3.652 0.005 A 13 PRO HDy H 1 3.843 0.007 A 13 PRO HGx H 1 2.011 0.002 A 13 PRO HGy H 1 2.011 0.002 A 13 PRO C C 13 177.048 0.011 A 13 PRO CA C 13 63.143 0.012 A 13 PRO CB C 13 32.185 0.045 A 13 PRO CD C 13 50.750 0.040 A 13 PRO CG C 13 27.421 0.024 A 14 THR H H 1 8.235 0.003 A 14 THR HA H 1 4.280 0.010 A 14 THR HB H 1 4.184 0.006 A 14 THR HG2% H 1 1.210 0.006 A 14 THR C C 13 174.490 0.015 A 14 THR CA C 13 62.033 0.085 A 14 THR CB C 13 69.818 0.071 A 14 THR CG2 C 13 21.702 0.200 A 14 THR N N 15 114.592 0.040 A 15 GLN H H 1 8.382 0.005 A 15 GLN HA H 1 4.370 0.005 A 15 GLN HBx H 1 1.959 0.006 A 15 GLN HBy H 1 2.063 0.008 A 15 GLN HE2x H 1 6.879 0.004 A 15 GLN HE2y H 1 7.555 0.001 A 15 GLN HGx H 1 2.315 0.007 A 15 GLN HGy H 1 2.315 0.007 A 15 GLN C C 13 175.455 0.010 A 15 GLN CA C 13 55.624 0.079 A 15 GLN CB C 13 29.713 0.027 A 15 GLN CG C 13 33.785 0.035 A 15 GLN N N 15 122.606 0.036 A 15 GLN NE2 N 15 112.194 0.260 A 16 GLN H H 1 8.454 0.004 A 16 GLN HA H 1 4.287 0.006 A 16 GLN HBx H 1 1.893 0.009 A 16 GLN HBy H 1 2.005 0.008 A 16 GLN HGx H 1 2.302 0.007 A 16 GLN HGy H 1 2.302 0.007 A 16 GLN C C 13 175.106 0.018 A 16 GLN CA C 13 55.628 0.077 A 16 GLN CB C 13 29.783 0.050 A 16 GLN CG C 13 33.708 0.007 A 16 GLN N N 15 122.140 0.024 A 17 ALA H H 1 8.330 0.004 A 17 ALA HA H 1 4.323 0.008 A 17 ALA HB% H 1 1.170 0.008 A 17 ALA C C 13 176.727 0.008 A 17 ALA CA C 13 51.835 0.078 A 17 ALA CB C 13 19.883 0.048 A 17 ALA N N 15 125.456 0.029 A 18 ARG H H 1 8.547 0.007 A 18 ARG HA H 1 4.648 0.004 A 18 ARG HBx H 1 1.637 0.013 A 18 ARG HBy H 1 1.775 0.008 A 18 ARG HDx H 1 3.116 0.008 A 18 ARG HDy H 1 3.177 0.008 A 18 ARG HGy H 1 1.837 0.000 A 18 ARG HGx H 1 1.608 0.010 A 18 ARG C C 13 174.137 0.000 A 18 ARG CA C 13 53.331 0.029 A 18 ARG CB C 13 30.829 0.038 A 18 ARG CD C 13 43.264 0.058 A 18 ARG CG C 13 26.870 0.120 A 18 ARG N N 15 122.051 0.027 A 19 PRO HA H 1 4.612 0.016 A 19 PRO HBy H 1 2.076 0.009 A 19 PRO HBx H 1 1.644 0.009 A 19 PRO HDx H 1 3.579 0.007 A 19 PRO HDy H 1 3.760 0.008 A 19 PRO HGx H 1 1.914 0.007 A 19 PRO C C 13 176.168 0.015 A 19 PRO CA C 13 63.182 0.017 A 19 PRO CB C 13 32.172 0.081 A 19 PRO CD C 13 50.857 0.027 A 19 PRO CG C 13 27.123 0.027 A 20 THR H H 1 9.060 0.003 A 20 THR HA H 1 4.236 0.011 A 20 THR HB H 1 3.728 0.008 A 20 THR HG2% H 1 0.963 0.012 A 20 THR C C 13 172.353 0.018 A 20 THR CA C 13 63.190 0.065 A 20 THR CB C 13 71.081 0.077 A 20 THR CG2 C 13 20.879 0.064 A 20 THR N N 15 121.618 0.015 A 21 VAL H H 1 8.549 0.004 A 21 VAL HA H 1 4.594 0.013 A 21 VAL HB H 1 1.918 0.008 A 21 VAL HGx% H 1 0.770 0.006 A 21 VAL HGy% H 1 0.822 0.002 A 21 VAL C C 13 175.430 0.008 A 21 VAL CA C 13 61.641 0.098 A 21 VAL CB C 13 32.330 0.045 A 21 VAL CGx C 13 21.181 0.044 A 21 VAL CGy C 13 21.242 0.001 A 21 VAL N N 15 127.181 0.026 A 22 ILE H H 1 8.901 0.005 A 22 ILE HA H 1 4.301 0.008 A 22 ILE HB H 1 1.456 0.008 A 22 ILE HD1% H 1 0.007 0.004 A 22 ILE HG1y H 1 1.002 0.013 A 22 ILE HG1x H 1 0.863 0.007 A 22 ILE HG2% H 1 0.934 0.006 A 22 ILE C C 13 173.845 0.009 A 22 ILE CA C 13 59.654 0.333 A 22 ILE CB C 13 39.797 0.046 A 22 ILE CD1 C 13 11.004 0.011 A 22 ILE CG1 C 13 27.202 0.052 A 22 ILE CG2 C 13 18.254 0.081 A 22 ILE N N 15 130.361 0.018 A 23 ARG H H 1 8.679 0.004 A 23 ARG HA H 1 5.490 0.006 A 23 ARG HBy H 1 1.699 0.007 A 23 ARG HBx H 1 1.599 0.013 A 23 ARG HDx H 1 3.038 0.007 A 23 ARG HDy H 1 3.038 0.007 A 23 ARG HGx H 1 1.407 0.009 A 23 ARG HGy H 1 1.489 0.010 A 23 ARG C C 13 174.214 0.013 A 23 ARG CA C 13 54.176 0.077 A 23 ARG CB C 13 34.569 0.043 A 23 ARG CD C 13 43.364 0.067 A 23 ARG CG C 13 27.523 0.029 A 23 ARG N N 15 125.867 0.059 A 24 TRP H H 1 9.130 0.002 A 24 TRP HA H 1 4.817 0.009 A 24 TRP HBy H 1 2.858 0.017 A 24 TRP HBx H 1 2.597 0.008 A 24 TRP HD1 H 1 6.779 0.000 A 24 TRP HE1 H 1 10.147 0.001 A 24 TRP HE3 H 1 6.017 0.001 A 24 TRP HH2 H 1 6.983 0.003 A 24 TRP HZ2 H 1 7.267 0.007 A 24 TRP HZ3 H 1 6.413 0.002 A 24 TRP C C 13 177.268 0.008 A 24 TRP CA C 13 55.975 0.072 A 24 TRP CB C 13 32.275 0.113 A 24 TRP N N 15 123.202 0.024 A 24 TRP NE1 N 15 129.242 0.014 A 25 SER H H 1 8.828 0.004 A 25 SER HA H 1 4.844 0.007 A 25 SER HBx H 1 3.628 0.004 A 25 SER HBy H 1 3.739 0.002 A 25 SER CA C 13 58.551 0.069 A 25 SER CB C 13 64.237 0.054 A 25 SER N N 15 123.632 0.017 A 26 GLU HA H 1 4.157 0.005 A 26 GLU HBy H 1 2.073 0.004 A 26 GLU HBx H 1 0.971 0.009 A 26 GLU HGx H 1 1.400 0.005 A 26 GLU HGy H 1 1.645 0.006 A 26 GLU C C 13 175.937 0.000 A 26 GLU CA C 13 55.392 0.089 A 26 GLU CB C 13 29.303 0.059 A 26 GLU CG C 13 35.060 0.053 A 27 GLY H H 1 8.425 0.002 A 27 GLY HAy H 1 4.290 0.008 A 27 GLY HAx H 1 3.966 0.008 A 27 GLY C C 13 173.366 0.026 A 27 GLY CA C 13 44.659 0.116 A 27 GLY N N 15 109.252 0.023 A 28 GLY H H 1 7.939 0.003 A 28 GLY HAy H 1 4.083 0.013 A 28 GLY HAx H 1 3.761 0.011 A 28 GLY C C 13 172.508 0.008 A 28 GLY CA C 13 43.733 0.108 A 28 GLY N N 15 106.555 0.079 A 29 LYS H H 1 10.041 0.004 A 29 LYS HA H 1 4.640 0.010 A 29 LYS HBx H 1 1.943 0.006 A 29 LYS HBy H 1 1.943 0.006 A 29 LYS HDx H 1 1.686 0.009 A 29 LYS HEx H 1 2.980 0.004 A 29 LYS HEy H 1 2.980 0.004 A 29 LYS HGx H 1 1.432 0.014 A 29 LYS HGy H 1 1.517 0.005 A 29 LYS C C 13 177.163 0.007 A 29 LYS CA C 13 58.066 0.058 A 29 LYS CB C 13 33.892 0.026 A 29 LYS CD C 13 29.112 0.030 A 29 LYS CE C 13 41.927 0.116 A 29 LYS CG C 13 25.293 0.102 A 29 LYS N N 15 120.690 0.009 A 30 GLU H H 1 8.921 0.002 A 30 GLU HA H 1 4.217 0.007 A 30 GLU HBx H 1 1.971 0.010 A 30 GLU HBy H 1 2.004 0.008 A 30 GLU HGx H 1 2.141 0.016 A 30 GLU HGy H 1 2.141 0.016 A 30 GLU C C 13 173.549 0.014 A 30 GLU CA C 13 56.010 0.044 A 30 GLU CB C 13 32.345 0.069 A 30 GLU CG C 13 36.914 0.000 A 30 GLU N N 15 121.716 0.008 A 31 VAL H H 1 7.643 0.003 A 31 VAL HA H 1 4.465 0.011 A 31 VAL HB H 1 0.865 0.008 A 31 VAL HGx% H 1 0.367 0.006 A 31 VAL HGy% H 1 -0.385 0.010 A 31 VAL C C 13 173.517 0.003 A 31 VAL CA C 13 61.509 0.121 A 31 VAL CB C 13 35.184 0.028 A 31 VAL CGy C 13 22.178 0.017 A 31 VAL CGx C 13 19.591 0.023 A 31 VAL N N 15 124.290 0.027 A 32 PHE H H 1 8.907 0.004 A 32 PHE HA H 1 5.579 0.012 A 32 PHE HBx H 1 2.827 0.012 A 32 PHE HBy H 1 2.827 0.012 A 32 PHE HDx H 1 7.042 0.010 A 32 PHE HDy H 1 7.042 0.010 A 32 PHE HEx H 1 7.376 0.005 A 32 PHE HEy H 1 7.376 0.005 A 32 PHE C C 13 174.810 0.062 A 32 PHE CA C 13 55.239 0.030 A 32 PHE CB C 13 44.416 0.039 A 32 PHE N N 15 124.288 0.046 A 33 ILE H H 1 9.335 0.005 A 33 ILE HA H 1 5.442 0.006 A 33 ILE HB H 1 1.691 0.010 A 33 ILE HD1% H 1 0.448 0.004 A 33 ILE HG1y H 1 1.406 0.010 A 33 ILE HG1x H 1 1.023 0.007 A 33 ILE HG2% H 1 0.817 0.010 A 33 ILE C C 13 173.651 0.004 A 33 ILE CA C 13 59.494 0.250 A 33 ILE CB C 13 43.358 0.037 A 33 ILE CD1 C 13 15.121 0.057 A 33 ILE CG1 C 13 28.526 0.045 A 33 ILE CG2 C 13 17.121 0.003 A 33 ILE N N 15 116.983 0.035 A 34 SER H H 1 8.524 0.003 A 34 SER HA H 1 4.461 0.005 A 34 SER HBy H 1 3.962 0.004 A 34 SER HBx H 1 3.892 0.016 A 34 SER C C 13 170.874 0.001 A 34 SER CA C 13 57.403 0.094 A 34 SER CB C 13 66.630 0.083 A 34 SER N N 15 117.312 0.061 A 35 GLY H H 1 7.079 0.007 A 35 GLY HAy H 1 3.446 0.016 A 35 GLY HAx H 1 1.525 0.010 A 35 GLY C C 13 171.975 0.010 A 35 GLY CA C 13 45.359 0.081 A 35 GLY N N 15 107.585 0.050 A 36 SER H H 1 8.875 0.004 A 36 SER HA H 1 3.499 0.011 A 36 SER HBy H 1 4.332 0.009 A 36 SER HBx H 1 3.908 0.007 A 36 SER C C 13 177.350 0.000 A 36 SER CA C 13 60.910 0.069 A 36 SER CB C 13 62.439 0.046 A 36 SER N N 15 114.672 0.022 A 37 PHE H H 1 6.555 0.005 A 37 PHE HA H 1 4.476 0.008 A 37 PHE HBy H 1 2.975 0.010 A 37 PHE HBx H 1 2.522 0.012 A 37 PHE HDx H 1 6.776 0.009 A 37 PHE HDy H 1 6.776 0.009 A 37 PHE HEx H 1 6.894 0.004 A 37 PHE HEy H 1 6.894 0.004 A 37 PHE HZ H 1 6.631 0.001 A 37 PHE C C 13 175.122 0.011 A 37 PHE CA C 13 56.991 0.039 A 37 PHE CB C 13 38.121 0.048 A 37 PHE N N 15 118.700 0.035 A 38 ASN H H 1 6.515 0.005 A 38 ASN HA H 1 4.989 0.010 A 38 ASN HBx H 1 2.567 0.011 A 38 ASN HBy H 1 3.171 0.008 A 38 ASN HD2x H 1 6.089 0.002 A 38 ASN HD2y H 1 7.457 0.003 A 38 ASN C C 13 176.279 0.025 A 38 ASN CA C 13 51.275 0.119 A 38 ASN CB C 13 37.258 0.017 A 38 ASN N N 15 120.200 0.018 A 38 ASN ND2 N 15 104.601 0.039 A 39 ASN H H 1 7.890 0.004 A 39 ASN HA H 1 4.354 0.006 A 39 ASN HBx H 1 2.782 0.005 A 39 ASN HBy H 1 3.141 0.009 A 39 ASN HD2x H 1 6.879 0.004 A 39 ASN HD2y H 1 7.564 0.007 A 39 ASN C C 13 173.003 0.011 A 39 ASN CA C 13 54.843 0.119 A 39 ASN CB C 13 37.196 0.066 A 39 ASN N N 15 117.638 0.029 A 39 ASN ND2 N 15 112.493 0.022 A 40 TRP H H 1 8.359 0.002 A 40 TRP HA H 1 4.188 0.007 A 40 TRP HBx H 1 3.187 0.005 A 40 TRP HBy H 1 3.463 0.004 A 40 TRP HD1 H 1 6.928 0.011 A 40 TRP HE1 H 1 10.051 0.002 A 40 TRP HE3 H 1 7.149 0.004 A 40 TRP HH2 H 1 6.638 0.003 A 40 TRP HZ2 H 1 7.104 0.009 A 40 TRP HZ3 H 1 6.556 0.002 A 40 TRP C C 13 177.846 0.000 A 40 TRP CA C 13 57.367 0.096 A 40 TRP CB C 13 24.803 0.052 A 40 TRP N N 15 114.019 0.025 A 40 TRP NE1 N 15 128.709 0.019 A 41 SER H H 1 7.723 0.003 A 41 SER HA H 1 4.101 0.007 A 41 SER HBx H 1 3.962 0.005 A 41 SER HBy H 1 3.962 0.005 A 41 SER C C 13 174.912 0.000 A 41 SER CA C 13 61.121 0.046 A 41 SER CB C 13 64.278 0.116 A 41 SER N N 15 114.771 0.189 A 42 THR H H 1 7.033 0.004 A 42 THR HA H 1 4.619 0.003 A 42 THR HB H 1 4.079 0.002 A 42 THR HG2% H 1 1.070 0.003 A 42 THR C C 13 173.710 0.000 A 42 THR CA C 13 59.875 0.192 A 42 THR CB C 13 71.080 0.034 A 42 THR CG2 C 13 20.453 0.037 A 42 THR N N 15 110.598 0.022 A 43 LYS HA H 1 4.798 0.009 A 43 LYS HBy H 1 1.454 0.014 A 43 LYS HBx H 1 1.242 0.012 A 43 LYS HDx H 1 0.596 0.008 A 43 LYS HDy H 1 0.678 0.006 A 43 LYS HEy H 1 2.041 0.006 A 43 LYS HEx H 1 1.367 0.006 A 43 LYS HGx H 1 0.943 0.007 A 43 LYS HGy H 1 1.354 0.009 A 43 LYS CA C 13 55.182 0.073 A 43 LYS CB C 13 33.180 0.064 A 43 LYS CD C 13 29.098 0.028 A 43 LYS CE C 13 40.450 0.046 A 43 LYS CG C 13 24.748 0.079 A 44 ILE H H 1 9.723 0.007 A 44 ILE HA H 1 4.665 0.002 A 44 ILE HB H 1 1.938 0.006 A 44 ILE HD1% H 1 0.944 0.003 A 44 ILE HG1x H 1 1.600 0.001 A 44 ILE HG2% H 1 1.156 0.004 A 44 ILE CA C 13 58.649 0.070 A 44 ILE CB C 13 40.546 0.034 A 44 ILE CD1 C 13 14.426 0.012 A 44 ILE CG2 C 13 16.089 0.007 A 44 ILE N N 15 128.159 0.067 A 45 PRO HA H 1 4.326 0.010 A 45 PRO HBy H 1 2.076 0.012 A 45 PRO HBx H 1 1.802 0.006 A 45 PRO HDy H 1 4.124 0.021 A 45 PRO HDx H 1 4.004 0.007 A 45 PRO HGx H 1 2.174 0.006 A 45 PRO HGy H 1 2.261 0.004 A 45 PRO C C 13 176.008 0.000 A 45 PRO CA C 13 63.150 0.058 A 45 PRO CB C 13 32.071 0.021 A 45 PRO CD C 13 51.230 0.073 A 45 PRO CG C 13 27.227 0.072 A 46 LEU H H 1 8.210 0.004 A 46 LEU HA H 1 4.524 0.005 A 46 LEU HBy H 1 1.821 0.011 A 46 LEU HBx H 1 1.249 0.013 A 46 LEU HD1% H 1 0.896 0.008 A 46 LEU HD2% H 1 0.844 0.009 A 46 LEU HG H 1 1.684 0.004 A 46 LEU CA C 13 55.779 0.081 A 46 LEU CB C 13 42.887 0.054 A 46 LEU CDx C 13 25.301 0.078 A 46 LEU CDy C 13 25.814 0.099 A 46 LEU CG C 13 31.482 0.070 A 46 LEU N N 15 122.618 0.034 A 47 ILE H H 1 8.719 0.005 A 47 ILE HA H 1 4.386 0.013 A 47 ILE HB H 1 1.858 0.008 A 47 ILE HD1% H 1 0.818 0.005 A 47 ILE HG1x H 1 1.327 0.014 A 47 ILE HG1y H 1 1.450 0.008 A 47 ILE HG2% H 1 0.906 0.005 A 47 ILE C C 13 175.817 0.013 A 47 ILE CA C 13 59.462 0.239 A 47 ILE CB C 13 39.566 0.065 A 47 ILE CD1 C 13 12.620 0.020 A 47 ILE CG1 C 13 27.486 0.087 A 47 ILE CG2 C 13 18.067 0.021 A 47 ILE N N 15 119.997 0.032 A 48 LYS H H 1 8.656 0.003 A 48 LYS HA H 1 3.938 0.016 A 48 LYS HBy H 1 1.586 0.009 A 48 LYS HBx H 1 1.264 0.006 A 48 LYS HDx H 1 0.958 0.004 A 48 LYS HDy H 1 1.275 0.003 A 48 LYS HEy H 1 2.829 0.010 A 48 LYS HEx H 1 2.747 0.011 A 48 LYS HGx H 1 0.612 0.007 A 48 LYS HGy H 1 0.966 0.003 A 48 LYS C C 13 176.291 0.012 A 48 LYS CA C 13 56.688 0.092 A 48 LYS CB C 13 32.749 0.076 A 48 LYS CD C 13 28.685 0.060 A 48 LYS CE C 13 41.888 0.085 A 48 LYS CG C 13 24.578 0.260 A 48 LYS N N 15 127.735 0.024 A 49 SER H H 1 8.629 0.004 A 49 SER HA H 1 4.395 0.002 A 49 SER HBx H 1 3.510 0.001 A 49 SER HBy H 1 3.510 0.001 A 49 SER C C 13 173.923 0.000 A 49 SER CA C 13 56.646 0.379 A 49 SER CB C 13 63.123 0.059 A 49 SER N N 15 122.161 0.024 A 50 HIS HA H 1 4.065 0.001 A 50 HIS HBy H 1 3.397 0.003 A 50 HIS HBx H 1 3.233 0.002 A 50 HIS HD2 H 1 7.059 0.001 A 50 HIS HE1 H 1 8.120 0.001 A 50 HIS CA C 13 58.070 0.001 A 50 HIS CB C 13 27.571 0.019 A 51 ASN HA H 1 4.731 0.006 A 51 ASN HBy H 1 2.898 0.009 A 51 ASN HBx H 1 2.674 0.008 A 51 ASN HD2x H 1 6.854 0.004 A 51 ASN HD2y H 1 7.583 0.002 A 51 ASN CA C 13 53.837 0.138 A 51 ASN CB C 13 39.159 0.071 A 51 ASN ND2 N 15 113.841 0.191 A 52 ASP H H 1 8.011 0.004 A 52 ASP HA H 1 4.982 0.015 A 52 ASP HBx H 1 2.536 0.010 A 52 ASP HBy H 1 2.618 0.008 A 52 ASP C C 13 174.161 0.006 A 52 ASP CA C 13 53.613 0.063 A 52 ASP CB C 13 43.595 0.059 A 52 ASP N N 15 119.232 0.050 A 53 PHE H H 1 8.516 0.004 A 53 PHE HA H 1 5.186 0.009 A 53 PHE HBy H 1 2.976 0.012 A 53 PHE HBx H 1 2.878 0.013 A 53 PHE HDx H 1 7.115 0.008 A 53 PHE HDy H 1 7.115 0.008 A 53 PHE HEx H 1 7.242 0.013 A 53 PHE HEy H 1 7.242 0.013 A 53 PHE HZ H 1 6.782 0.003 A 53 PHE C C 13 175.296 0.404 A 53 PHE CA C 13 57.446 0.048 A 53 PHE CB C 13 41.963 0.088 A 53 PHE N N 15 118.122 0.062 A 54 VAL H H 1 9.350 0.004 A 54 VAL HA H 1 5.337 0.002 A 54 VAL HB H 1 1.888 0.000 A 54 VAL HGx% H 1 0.821 0.001 A 54 VAL CA C 13 60.386 0.070 A 54 VAL CB C 13 36.684 0.013 A 54 VAL N N 15 118.602 0.032 A 55 ALA HA H 1 4.728 0.016 A 55 ALA HB% H 1 1.198 0.006 A 55 ALA C C 13 174.798 0.055 A 55 ALA CA C 13 50.792 0.104 A 55 ALA CB C 13 21.382 0.056 A 56 ILE H H 1 8.218 0.004 A 56 ILE HA H 1 4.543 0.007 A 56 ILE HB H 1 1.653 0.009 A 56 ILE HD1% H 1 0.783 0.006 A 56 ILE HG1x H 1 0.897 0.007 A 56 ILE HG1y H 1 1.437 0.010 A 56 ILE HG2% H 1 0.659 0.009 A 56 ILE C C 13 175.528 0.011 A 56 ILE CA C 13 60.901 0.087 A 56 ILE CB C 13 38.343 0.079 A 56 ILE CD1 C 13 13.441 0.182 A 56 ILE CG1 C 13 27.693 0.106 A 56 ILE CG2 C 13 18.011 0.007 A 56 ILE N N 15 121.147 0.121 A 57 LEU H H 1 8.808 0.003 A 57 LEU HA H 1 4.529 0.008 A 57 LEU HBx H 1 0.737 0.007 A 57 LEU HBy H 1 1.079 0.011 A 57 LEU HD1% H 1 0.049 0.006 A 57 LEU HD2% H 1 0.483 0.006 A 57 LEU HG H 1 1.114 0.006 A 57 LEU C C 13 175.136 0.020 A 57 LEU CA C 13 52.714 0.062 A 57 LEU CB C 13 45.291 0.072 A 57 LEU CDy C 13 25.949 0.055 A 57 LEU CDx C 13 23.142 0.021 A 57 LEU CG C 13 26.433 0.079 A 57 LEU N N 15 127.262 0.055 A 58 ASP H H 1 8.593 0.005 A 58 ASP HA H 1 4.650 0.014 A 58 ASP HBx H 1 2.397 0.007 A 58 ASP HBy H 1 2.397 0.007 A 58 ASP C C 13 174.919 0.182 A 58 ASP CA C 13 52.987 0.103 A 58 ASP CB C 13 39.673 0.031 A 58 ASP N N 15 124.321 0.039 A 59 LEU H H 1 7.685 0.003 A 59 LEU HA H 1 4.572 0.005 A 59 LEU HBx H 1 0.724 0.006 A 59 LEU HBy H 1 1.574 0.008 A 59 LEU HD1% H 1 0.230 0.004 A 59 LEU HD2% H 1 -0.248 0.004 A 59 LEU HG H 1 1.016 0.011 A 59 LEU C C 13 175.046 0.000 A 59 LEU CA C 13 50.964 0.036 A 59 LEU CB C 13 42.953 0.038 A 59 LEU CDy C 13 24.780 0.000 A 59 LEU CDx C 13 22.488 0.027 A 59 LEU CG C 13 25.941 0.112 A 59 LEU N N 15 123.969 0.019 A 60 PRO HA H 1 4.628 0.011 A 60 PRO HBx H 1 2.111 0.015 A 60 PRO HBy H 1 2.346 0.014 A 60 PRO HDy H 1 3.840 0.005 A 60 PRO HDx H 1 3.282 0.007 A 60 PRO HGx H 1 2.049 0.009 A 60 PRO HGy H 1 2.144 0.003 A 60 PRO C C 13 175.565 0.006 A 60 PRO CA C 13 61.577 0.035 A 60 PRO CB C 13 32.705 0.150 A 60 PRO CD C 13 50.495 0.089 A 60 PRO CG C 13 27.034 0.075 A 61 GLU H H 1 8.507 0.009 A 61 GLU HA H 1 3.887 0.006 A 61 GLU HBx H 1 1.962 0.006 A 61 GLU HBy H 1 1.962 0.006 A 61 GLU HGx H 1 2.180 0.007 A 61 GLU HGy H 1 2.397 0.006 A 61 GLU C C 13 176.144 0.010 A 61 GLU CA C 13 57.488 0.064 A 61 GLU CB C 13 30.276 0.028 A 61 GLU CG C 13 36.583 0.064 A 61 GLU N N 15 119.228 0.117 A 62 GLY H H 1 8.831 0.003 A 62 GLY HAy H 1 4.323 0.008 A 62 GLY HAx H 1 3.691 0.008 A 62 GLY C C 13 171.300 0.002 A 62 GLY CA C 13 43.532 0.103 A 62 GLY N N 15 111.560 0.009 A 63 GLU H H 1 8.015 0.004 A 63 GLU HA H 1 4.857 0.012 A 63 GLU HBx H 1 1.771 0.010 A 63 GLU HBy H 1 1.771 0.010 A 63 GLU HGy H 1 1.876 0.006 A 63 GLU HGx H 1 1.808 0.012 A 63 GLU C C 13 175.572 0.004 A 63 GLU CA C 13 54.917 0.058 A 63 GLU CB C 13 31.372 0.040 A 63 GLU CG C 13 36.922 0.016 A 63 GLU N N 15 119.060 0.021 A 64 HIS H H 1 8.832 0.007 A 64 HIS HA H 1 4.852 0.009 A 64 HIS HBy H 1 3.174 0.000 A 64 HIS HBx H 1 2.909 0.016 A 64 HIS HD2 H 1 6.700 0.007 A 64 HIS HE1 H 1 7.619 0.007 A 64 HIS HE2 H 1 11.533 0.004 A 64 HIS C C 13 174.629 0.005 A 64 HIS CA C 13 55.046 0.074 A 64 HIS CB C 13 34.139 0.035 A 64 HIS N N 15 121.537 0.017 A 64 HIS NE2 N 15 131.604 0.046 A 65 GLN H H 1 8.684 0.007 A 65 GLN HA H 1 5.705 0.012 A 65 GLN HBx H 1 1.961 0.008 A 65 GLN HBy H 1 2.282 0.004 A 65 GLN HE2x H 1 7.010 0.002 A 65 GLN HE2y H 1 7.758 0.002 A 65 GLN HGy H 1 2.743 0.005 A 65 GLN HGx H 1 2.268 0.007 A 65 GLN C C 13 176.317 0.004 A 65 GLN CA C 13 53.957 0.062 A 65 GLN CB C 13 32.362 0.051 A 65 GLN CG C 13 34.672 0.065 A 65 GLN N N 15 121.618 0.025 A 65 GLN NE2 N 15 112.774 0.089 A 66 TYR H H 1 8.943 0.004 A 66 TYR HA H 1 5.317 0.013 A 66 TYR HBx H 1 2.918 0.014 A 66 TYR HBy H 1 2.918 0.014 A 66 TYR HDx H 1 6.442 0.009 A 66 TYR HDy H 1 6.442 0.009 A 66 TYR HEx H 1 6.746 0.004 A 66 TYR HEy H 1 6.746 0.004 A 66 TYR C C 13 171.716 0.017 A 66 TYR CA C 13 56.868 0.070 A 66 TYR CB C 13 41.007 0.100 A 66 TYR N N 15 116.465 0.028 A 67 LYS H H 1 9.087 0.004 A 67 LYS HA H 1 4.524 0.008 A 67 LYS HBx H 1 2.168 0.002 A 67 LYS HBy H 1 2.478 0.013 A 67 LYS C C 13 173.050 0.007 A 67 LYS CA C 13 57.695 0.194 A 67 LYS CB C 13 36.637 0.132 A 67 LYS N N 15 119.934 0.010 A 68 PHE H H 1 7.962 0.010 A 68 PHE HA H 1 5.512 0.014 A 68 PHE HBy H 1 2.865 0.013 A 68 PHE HBx H 1 2.329 0.012 A 68 PHE HDx H 1 7.249 0.010 A 68 PHE HDy H 1 7.249 0.010 A 68 PHE HEx H 1 7.583 0.004 A 68 PHE HEy H 1 7.583 0.004 A 68 PHE HZ H 1 7.760 0.003 A 68 PHE C C 13 173.807 0.042 A 68 PHE CA C 13 57.137 0.044 A 68 PHE CB C 13 40.781 0.112 A 68 PHE N N 15 120.459 0.129 A 69 PHE H H 1 8.836 0.005 A 69 PHE HA H 1 4.716 0.013 A 69 PHE HBx H 1 1.027 0.005 A 69 PHE HBy H 1 2.360 0.011 A 69 PHE HDx H 1 5.666 0.009 A 69 PHE HDy H 1 5.666 0.009 A 69 PHE HEx H 1 6.835 0.003 A 69 PHE HEy H 1 6.835 0.003 A 69 PHE HZ H 1 6.952 0.005 A 69 PHE C C 13 174.473 0.034 A 69 PHE CA C 13 56.297 0.109 A 69 PHE CB C 13 40.746 0.104 A 69 PHE N N 15 125.179 0.043 A 70 VAL H H 1 8.750 0.005 A 70 VAL HA H 1 4.389 0.009 A 70 VAL HB H 1 1.543 0.014 A 70 VAL HGx% H 1 0.663 0.009 A 70 VAL HGy% H 1 -0.198 0.010 A 70 VAL C C 13 175.646 0.012 A 70 VAL CA C 13 60.703 0.051 A 70 VAL CB C 13 33.685 0.065 A 70 VAL CGy C 13 20.341 0.005 A 70 VAL CGx C 13 20.083 0.068 A 70 VAL N N 15 127.072 0.023 A 71 ASP H H 1 8.968 0.003 A 71 ASP HA H 1 4.281 0.009 A 71 ASP HBy H 1 2.723 0.009 A 71 ASP HBx H 1 2.523 0.008 A 71 ASP C C 13 176.141 0.009 A 71 ASP CA C 13 55.751 0.066 A 71 ASP CB C 13 39.670 0.015 A 71 ASP N N 15 129.004 0.023 A 72 GLY H H 1 7.532 0.003 A 72 GLY HAx H 1 3.026 0.009 A 72 GLY HAy H 1 3.899 0.006 A 72 GLY C C 13 173.156 0.024 A 72 GLY CA C 13 45.467 0.085 A 72 GLY N N 15 100.892 0.024 A 73 GLN H H 1 6.972 0.003 A 73 GLN HA H 1 4.521 0.007 A 73 GLN HBy H 1 1.990 0.009 A 73 GLN HBx H 1 1.760 0.008 A 73 GLN HE2x H 1 6.822 0.003 A 73 GLN HE2y H 1 7.528 0.002 A 73 GLN HGy H 1 2.247 0.012 A 73 GLN HGx H 1 2.171 0.007 A 73 GLN C C 13 174.015 0.005 A 73 GLN CA C 13 53.315 0.084 A 73 GLN CB C 13 31.897 0.087 A 73 GLN CG C 13 32.964 0.059 A 73 GLN N N 15 117.670 0.008 A 73 GLN NE2 N 15 112.006 0.185 A 74 TRP H H 1 8.989 0.003 A 74 TRP HA H 1 5.693 0.013 A 74 TRP HBx H 1 3.071 0.011 A 74 TRP HBy H 1 3.255 0.010 A 74 TRP HD1 H 1 7.519 0.009 A 74 TRP HE1 H 1 10.364 0.006 A 74 TRP HE3 H 1 7.601 0.005 A 74 TRP HH2 H 1 6.839 0.015 A 74 TRP HZ2 H 1 7.382 0.003 A 74 TRP HZ3 H 1 6.991 0.003 A 74 TRP C C 13 177.147 0.007 A 74 TRP CA C 13 57.020 0.112 A 74 TRP CB C 13 30.432 0.076 A 74 TRP N N 15 124.138 0.012 A 74 TRP NE1 N 15 130.934 0.017 A 75 VAL H H 1 9.824 0.004 A 75 VAL HA H 1 4.940 0.009 A 75 VAL HB H 1 2.237 0.007 A 75 VAL HGx% H 1 0.938 0.007 A 75 VAL HGy% H 1 0.800 0.005 A 75 VAL C C 13 172.513 0.015 A 75 VAL CA C 13 61.024 0.047 A 75 VAL CB C 13 36.364 0.021 A 75 VAL CGy C 13 22.496 0.036 A 75 VAL CGx C 13 20.994 0.024 A 75 VAL N N 15 123.056 0.018 A 76 HIS H H 1 7.732 0.003 A 76 HIS HA H 1 5.581 0.009 A 76 HIS HBy H 1 3.243 0.014 A 76 HIS HBx H 1 2.801 0.009 A 76 HIS HD2 H 1 6.558 0.002 A 76 HIS HE1 H 1 7.791 0.002 A 76 HIS C C 13 173.141 0.015 A 76 HIS CA C 13 54.214 0.070 A 76 HIS CB C 13 32.942 0.024 A 76 HIS N N 15 120.174 0.021 A 77 ASP H H 1 10.724 0.005 A 77 ASP HA H 1 5.148 0.008 A 77 ASP HBx H 1 3.029 0.009 A 77 ASP HBy H 1 3.334 0.001 A 77 ASP C C 13 177.178 0.000 A 77 ASP CA C 13 50.586 0.077 A 77 ASP CB C 13 42.265 0.061 A 77 ASP N N 15 121.468 0.018 A 78 PRO HA H 1 4.561 0.009 A 78 PRO HBy H 1 2.318 0.012 A 78 PRO HBx H 1 2.118 0.009 A 78 PRO HDx H 1 3.866 0.012 A 78 PRO HDy H 1 4.069 0.003 A 78 PRO HGx H 1 1.857 0.011 A 78 PRO HGy H 1 1.948 0.004 A 78 PRO C C 13 177.474 0.000 A 78 PRO CA C 13 64.070 0.200 A 78 PRO CB C 13 32.341 0.068 A 78 PRO CD C 13 51.000 0.037 A 78 PRO CG C 13 26.834 0.052 A 79 SER H H 1 8.891 0.003 A 79 SER HA H 1 4.516 0.006 A 79 SER HBx H 1 3.900 0.005 A 79 SER HBy H 1 4.031 0.010 A 79 SER C C 13 173.815 0.023 A 79 SER CA C 13 59.325 0.085 A 79 SER CB C 13 63.859 0.125 A 79 SER N N 15 116.156 0.026 A 80 GLU H H 1 7.367 0.005 A 80 GLU HA H 1 5.007 0.005 A 80 GLU HBx H 1 1.872 0.008 A 80 GLU HBy H 1 2.638 0.006 A 80 GLU HGx H 1 2.254 0.004 A 80 GLU HGy H 1 2.712 0.006 A 80 GLU CA C 13 53.408 0.082 A 80 GLU CB C 13 30.595 0.090 A 80 GLU N N 15 122.460 0.036 A 81 PRO HA H 1 4.481 0.009 A 81 PRO HBy H 1 2.500 0.007 A 81 PRO HBx H 1 2.165 0.012 A 81 PRO HDx H 1 4.055 0.006 A 81 PRO HDy H 1 4.055 0.006 A 81 PRO HGy H 1 2.395 0.009 A 81 PRO HGx H 1 2.087 0.007 A 81 PRO C C 13 177.067 0.019 A 81 PRO CA C 13 63.751 0.081 A 81 PRO CB C 13 32.526 0.028 A 81 PRO CD C 13 51.118 0.028 A 81 PRO CG C 13 28.217 0.022 A 82 VAL H H 1 8.192 0.005 A 82 VAL HA H 1 5.595 0.010 A 82 VAL HB H 1 2.008 0.009 A 82 VAL HGx% H 1 0.867 0.005 A 82 VAL HGy% H 1 0.803 0.007 A 82 VAL C C 13 175.730 0.005 A 82 VAL CA C 13 58.539 0.067 A 82 VAL CB C 13 36.666 0.019 A 82 VAL CGy C 13 22.469 0.022 A 82 VAL CGx C 13 17.649 0.016 A 82 VAL N N 15 114.124 0.093 A 83 VAL H H 1 8.911 0.003 A 83 VAL HA H 1 4.441 0.006 A 83 VAL HB H 1 2.035 0.008 A 83 VAL HGx% H 1 0.763 0.002 A 83 VAL HGy% H 1 0.860 0.001 A 83 VAL C C 13 172.570 0.005 A 83 VAL CA C 13 59.813 0.049 A 83 VAL CB C 13 35.576 0.054 A 83 VAL CGy C 13 21.213 0.017 A 83 VAL CGx C 13 20.003 0.035 A 83 VAL N N 15 117.870 0.020 A 84 THR H H 1 8.228 0.003 A 84 THR HA H 1 4.783 0.008 A 84 THR HB H 1 3.895 0.005 A 84 THR HG2% H 1 1.161 0.008 A 84 THR C C 13 175.257 0.013 A 84 THR CA C 13 61.934 0.114 A 84 THR CB C 13 68.748 0.062 A 84 THR CG2 C 13 21.388 0.046 A 84 THR N N 15 120.137 0.018 A 85 SER H H 1 9.641 0.003 A 85 SER HA H 1 4.552 0.008 A 85 SER HBx H 1 3.813 0.005 A 85 SER HBy H 1 4.238 0.004 A 85 SER C C 13 176.875 0.005 A 85 SER CA C 13 57.286 0.044 A 85 SER CB C 13 66.744 0.071 A 85 SER N N 15 125.178 0.018 A 86 GLN H H 1 9.379 0.009 A 86 GLN HA H 1 4.113 0.007 A 86 GLN HBy H 1 2.265 0.012 A 86 GLN HBx H 1 2.021 0.007 A 86 GLN HE2x H 1 6.869 0.003 A 86 GLN HE2y H 1 7.579 0.002 A 86 GLN HGx H 1 2.505 0.007 A 86 GLN HGy H 1 2.505 0.007 A 86 GLN C C 13 176.393 0.050 A 86 GLN CA C 13 58.290 0.088 A 86 GLN CB C 13 28.443 0.028 A 86 GLN CG C 13 34.844 0.041 A 86 GLN N N 15 121.080 0.035 A 86 GLN NE2 N 15 112.944 0.044 A 87 LEU H H 1 7.352 0.004 A 87 LEU HA H 1 4.290 0.008 A 87 LEU HBx H 1 1.187 0.006 A 87 LEU HBy H 1 1.636 0.007 A 87 LEU HD1% H 1 0.874 0.009 A 87 LEU HD2% H 1 0.668 0.008 A 87 LEU HG H 1 1.776 0.005 A 87 LEU C C 13 175.023 0.018 A 87 LEU CA C 13 54.320 0.056 A 87 LEU CB C 13 44.277 0.061 A 87 LEU CDx C 13 24.595 0.244 A 87 LEU CDy C 13 25.745 0.044 A 87 LEU CG C 13 27.500 0.046 A 87 LEU N N 15 117.582 0.026 A 88 GLY H H 1 7.942 0.004 A 88 GLY HAx H 1 3.485 0.009 A 88 GLY HAy H 1 4.133 0.006 A 88 GLY C C 13 174.437 0.023 A 88 GLY CA C 13 44.892 0.040 A 88 GLY N N 15 106.852 0.069 A 89 THR H H 1 7.086 0.003 A 89 THR HA H 1 4.520 0.004 A 89 THR HB H 1 4.033 0.002 A 89 THR HG2% H 1 1.020 0.001 A 89 THR C C 13 172.232 0.000 A 89 THR CA C 13 58.639 0.082 A 89 THR CB C 13 70.922 0.070 A 89 THR CG2 C 13 23.553 0.040 A 89 THR N N 15 109.212 0.006 A 90 ILE H H 1 8.529 0.003 A 90 ILE HA H 1 4.346 0.006 A 90 ILE HB H 1 1.468 0.004 A 90 ILE HD1% H 1 0.623 0.006 A 90 ILE HG1y H 1 1.363 0.004 A 90 ILE HG1x H 1 1.033 0.002 A 90 ILE HG2% H 1 0.158 0.004 A 90 ILE CA C 13 60.578 0.114 A 90 ILE CB C 13 38.022 0.039 A 90 ILE CD1 C 13 11.697 0.031 A 90 ILE CG1 C 13 27.314 0.021 A 90 ILE CG2 C 13 16.369 0.079 A 90 ILE N N 15 121.192 0.032 A 91 ASN H H 1 8.813 0.008 A 91 ASN HA H 1 5.331 0.008 A 91 ASN HBx H 1 2.280 0.008 A 91 ASN HBy H 1 3.301 0.008 A 91 ASN HD2y H 1 8.113 0.002 A 91 ASN C C 13 175.606 0.005 A 91 ASN CA C 13 50.679 0.101 A 91 ASN CB C 13 42.029 0.043 A 91 ASN N N 15 123.832 0.032 A 91 ASN ND2 N 15 114.493 0.037 A 92 ASN H H 1 8.693 0.004 A 92 ASN HA H 1 5.730 0.014 A 92 ASN HBy H 1 2.459 0.008 A 92 ASN HBx H 1 1.078 0.008 A 92 ASN HD2x H 1 7.026 0.003 A 92 ASN HD2y H 1 8.147 0.003 A 92 ASN C C 13 173.714 0.011 A 92 ASN CA C 13 54.557 0.095 A 92 ASN CB C 13 42.275 0.048 A 92 ASN N N 15 114.977 0.016 A 92 ASN ND2 N 15 108.483 0.054 A 93 LEU H H 1 7.589 0.003 A 93 LEU HA H 1 5.339 0.008 A 93 LEU HBx H 1 1.201 0.006 A 93 LEU HBy H 1 1.460 0.010 A 93 LEU HD1% H 1 0.802 0.000 A 93 LEU HD2% H 1 0.794 0.003 A 93 LEU HG H 1 1.306 0.005 A 93 LEU C C 13 175.937 0.001 A 93 LEU CA C 13 53.394 0.061 A 93 LEU CB C 13 47.237 0.020 A 93 LEU CDx C 13 24.440 0.000 A 93 LEU CDy C 13 25.699 0.026 A 93 LEU CG C 13 27.170 0.053 A 93 LEU N N 15 120.049 0.014 A 94 ILE H H 1 9.266 0.003 A 94 ILE HA H 1 4.893 0.007 A 94 ILE HB H 1 2.117 0.010 A 94 ILE HD1% H 1 0.792 0.004 A 94 ILE HG1y H 1 1.718 0.004 A 94 ILE HG1x H 1 1.027 0.003 A 94 ILE HG2% H 1 0.972 0.005 A 94 ILE C C 13 172.070 0.017 A 94 ILE CA C 13 59.250 0.027 A 94 ILE CB C 13 42.095 0.042 A 94 ILE CD1 C 13 14.460 0.025 A 94 ILE CG1 C 13 29.482 0.110 A 94 ILE CG2 C 13 16.263 0.019 A 94 ILE N N 15 124.644 0.024 A 95 HIS H H 1 8.704 0.004 A 95 HIS HA H 1 5.137 0.013 A 95 HIS HBx H 1 2.976 0.014 A 95 HIS HBy H 1 3.133 0.013 A 95 HIS HD2 H 1 6.880 0.002 A 95 HIS HE1 H 1 7.977 0.002 A 95 HIS C C 13 174.569 0.003 A 95 HIS CA C 13 54.357 0.088 A 95 HIS CB C 13 31.183 0.121 A 95 HIS N N 15 126.857 0.056 A 96 VAL H H 1 9.101 0.003 A 96 VAL HA H 1 4.149 0.009 A 96 VAL HB H 1 2.410 0.006 A 96 VAL HGx% H 1 0.811 0.007 A 96 VAL HGy% H 1 0.986 0.008 A 96 VAL C C 13 175.533 0.058 A 96 VAL CA C 13 62.493 0.046 A 96 VAL CB C 13 32.371 0.032 A 96 VAL CGx C 13 20.906 0.021 A 96 VAL CGy C 13 22.148 0.015 A 96 VAL N N 15 128.553 0.015 A 97 LYS H H 1 8.715 0.003 A 97 LYS HA H 1 4.581 0.010 A 97 LYS HBx H 1 1.643 0.008 A 97 LYS HBy H 1 1.808 0.006 A 97 LYS HDy H 1 1.681 0.002 A 97 LYS HDx H 1 1.575 0.015 A 97 LYS HEx H 1 2.862 0.006 A 97 LYS HGy H 1 1.441 0.006 A 97 LYS HGx H 1 1.282 0.008 A 97 LYS C C 13 176.045 0.009 A 97 LYS CA C 13 55.149 0.083 A 97 LYS CB C 13 34.664 0.049 A 97 LYS CD C 13 29.073 0.054 A 97 LYS CE C 13 41.752 0.084 A 97 LYS CG C 13 24.418 0.250 A 97 LYS N N 15 128.639 0.023 A 98 LYS H H 1 8.736 0.004 A 98 LYS HA H 1 4.150 0.006 A 98 LYS HBy H 1 1.779 0.008 A 98 LYS HBx H 1 1.413 0.005 A 98 LYS HDx H 1 1.678 0.006 A 98 LYS HDy H 1 1.678 0.006 A 98 LYS HEx H 1 2.979 0.005 A 98 LYS HEy H 1 2.979 0.005 A 98 LYS HGx H 1 1.422 0.009 A 98 LYS HGy H 1 1.422 0.009 A 98 LYS C C 13 176.953 0.005 A 98 LYS CA C 13 57.297 0.066 A 98 LYS CB C 13 32.857 0.059 A 98 LYS CD C 13 29.193 0.076 A 98 LYS CE C 13 41.805 0.089 A 98 LYS CG C 13 24.780 0.000 A 98 LYS N N 15 122.779 0.015 A 99 SER H H 1 8.394 0.005 A 99 SER HA H 1 4.378 0.007 A 99 SER HBx H 1 3.759 0.007 A 99 SER HBy H 1 3.854 0.007 A 99 SER C C 13 174.365 0.023 A 99 SER CA C 13 58.599 0.136 A 99 SER CB C 13 63.763 0.091 A 99 SER N N 15 116.779 0.029 A 100 ASP H H 1 8.289 0.005 A 100 ASP HA H 1 4.542 0.009 A 100 ASP HBx H 1 2.529 0.010 A 100 ASP HBy H 1 2.529 0.010 A 100 ASP C C 13 175.829 0.012 A 100 ASP CA C 13 54.888 0.051 A 100 ASP CB C 13 40.971 0.020 A 100 ASP N N 15 122.456 0.019 A 101 PHE H H 1 7.920 0.003 A 101 PHE HA H 1 4.605 0.011 A 101 PHE HBy H 1 3.159 0.007 A 101 PHE HBx H 1 2.978 0.007 A 101 PHE C C 13 175.336 0.027 A 101 PHE CA C 13 57.475 0.039 A 101 PHE CB C 13 39.632 0.047 A 101 PHE N N 15 118.610 0.009 A 102 GLU H H 1 8.133 0.003 A 102 GLU HA H 1 4.210 0.008 A 102 GLU HBx H 1 1.842 0.007 A 102 GLU HBy H 1 1.845 0.007 A 102 GLU HGx H 1 2.056 0.000 A 102 GLU HGy H 1 2.114 0.018 A 102 GLU CA C 13 56.356 0.075 A 102 GLU CB C 13 30.629 0.010 A 102 GLU CG C 13 36.425 0.111 A 102 GLU N N 15 122.036 0.008 A 103 VAL H H 1 7.929 0.004 A 103 VAL HA H 1 4.050 0.008 A 103 VAL HB H 1 1.948 0.007 A 103 VAL HGx% H 1 0.843 0.005 A 103 VAL CA C 13 61.837 0.078 A 103 VAL CB C 13 33.191 0.044 A 103 VAL CGx C 13 20.870 0.248 A 103 VAL N N 15 120.634 0.011 A 104 PHE H H 1 8.343 0.002 A 104 PHE HA H 1 4.727 0.006 A 104 PHE HBy H 1 3.232 0.007 A 104 PHE HBx H 1 2.898 0.006 A 104 PHE C C 13 174.547 0.010 A 104 PHE CA C 13 57.194 0.067 A 104 PHE CB C 13 39.987 0.068 A 104 PHE N N 15 124.373 0.035 A 105 ASP H H 1 7.949 0.003 A 105 ASP HA H 1 4.388 0.005 A 105 ASP HBy H 1 2.648 0.000 A 105 ASP HBx H 1 2.571 0.001 A 105 ASP CA C 13 55.764 0.035 A 105 ASP CB C 13 42.308 0.013 A 105 ASP N N 15 127.110 0.014 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 40 TRP HZ3 A 34 SER HBy 1.0 . 5.11 2 2 A 77 ASP HA A 78 PRO HGy 1.0 . 4.45 3 3 A 77 ASP HA A 78 PRO HGx 1.0 . 4.45 4 4 A 95 HIS HA A 63 GLU HBx 1.0 . 3.80 5 4 A 63 GLU HBy A 95 HIS HA 1.0 . 3.80 6 5 A 48 LYS HBy A 53 PHE HA 1.0 . 4.51 7 6 A 94 ILE HA A 94 ILE HG1x 1.0 . 3.75 8 7 A 95 HIS HA A 94 ILE HG2% 1.0 . 4.51 9 8 A 95 HIS HA A 96 VAL HGy% 1.0 . 4.66 10 9 A 65 GLN HA A 93 LEU HG 1.0 . 5.45 11 10 A 82 VAL HA A 92 ASN HBy 1.0 . 5.24 12 11 A 24 TRP HBx A 25 SER HA 1.0 . 4.99 13 12 A 32 PHE HA A 46 LEU HA 1.0 . 5.03 14 13 A 82 VAL HA A 92 ASN HA 1.0 . 2.76 15 14 A 77 ASP HA A 68 PHE HE% 1.0 . 4.77 16 15 A 52 ASP HA A 53 PHE HD% 1.0 . 4.54 17 16 A 37 PHE HE% A 38 ASN HA 1.0 . 5.10 18 17 A 38 ASN HA A 37 PHE HD% 1.0 . 3.84 19 18 A 95 HIS HA A 64 HIS HD2 1.0 . 4.42 20 19 A 33 ILE HA A 69 PHE H 1.0 . 4.47 21 20 A 53 PHE HE% A 48 LYS HEx 1.0 . 4.51 22 21 A 24 TRP HZ2 A 26 GLU HBx 1.0 . 3.62 23 22 A 24 TRP HZ2 A 75 VAL HGx% 1.0 . 4.01 24 23 A 46 LEU HD1% A 68 PHE HD% 1.0 . 3.31 25 24 A 24 TRP HZ2 A 75 VAL HGy% 1.0 . 2.95 26 25 A 32 PHE HD% A 70 VAL HA 1.0 . 4.43 27 26 A 68 PHE HD% A 24 TRP HBy 1.0 . 4.23 28 27 A 65 GLN HE2x A 66 TYR HD% 1.0 . 5.26 29 28 A 66 TYR HD% A 68 PHE HZ 1.0 . 5.50 30 29 A 66 TYR HD% A 94 ILE HB 1.0 . 3.80 31 30 A 66 TYR HD% A 92 ASN HBx 1.0 . 4.39 32 31 A 94 ILE HG2% A 66 TYR HD% 1.0 . 3.02 33 32 A 75 VAL HGy% A 24 TRP HZ3 1.0 . 3.63 34 33 A 66 TYR HD% A 33 ILE HD1% 1.0 . 3.18 35 34 A 66 TYR HD% A 22 ILE HD1% 1.0 . 3.74 36 35 A 22 ILE HD1% A 66 TYR HE% 1.0 . 3.53 37 36 A 33 ILE HD1% A 66 TYR HE% 1.0 . 3.68 38 37 A 66 TYR HE% A 94 ILE HD1% 1.0 . 3.84 39 38 A 96 VAL HGy% A 64 HIS HD2 1.0 . 2.65 40 39 A 92 ASN HBy A 66 TYR HE% 1.0 . 3.67 41 40 A 94 ILE HB A 66 TYR HE% 1.0 . 2.97 42 41 A 94 ILE HA A 66 TYR HE% 1.0 . 4.27 43 42 A 68 PHE HE% A 24 TRP HBy 1.0 . 3.85 44 43 A 24 TRP HBx A 68 PHE HE% 1.0 . 4.66 45 44 A 68 PHE HE% A 77 ASP HBy 1.0 . 3.98 46 45 A 68 PHE HZ A 66 TYR HE% 1.0 . 3.19 47 46 A 68 PHE HD% A 66 TYR HE% 1.0 . 4.19 48 47 A 37 PHE HE% A 66 TYR HD% 1.0 . 4.05 49 48 A 66 TYR HD% A 37 PHE HZ 1.0 . 5.17 50 49 A 53 PHE HE% A 27 GLY HAy 1.0 . 4.17 51 50 A 53 PHE HE% A 48 LYS HA 1.0 . 4.55 52 51 A 53 PHE HE% A 30 GLU HA 1.0 . 4.31 53 52 A 53 PHE HE% A 28 GLY HAx 1.0 . 4.40 54 53 A 76 HIS HBy A 76 HIS HD2 1.0 . 3.78 55 54 A 24 TRP HZ2 A 70 VAL HGy% 1.0 . 3.38 56 55 A 70 VAL HGy% A 24 TRP HH2 1.0 . 4.34 57 56 A 37 PHE HE% A 59 LEU HD2% 1.0 . 4.56 58 57 A 37 PHE HD% A 59 LEU HD2% 1.0 . 3.33 59 58 A 64 HIS HD2 A 59 LEU HD2% 1.0 . 4.99 60 59 A 53 PHE HE% A 31 VAL HGy% 1.0 . 3.41 61 60 A 53 PHE HD% A 31 VAL HGy% 1.0 . 3.45 62 61 A 31 VAL HGy% A 24 TRP HD1 1.0 . 3.33 63 62 A 70 VAL HGy% A 24 TRP HD1 1.0 . 4.07 64 63 A 37 PHE HD% A 57 LEU HD1% 1.0 . 3.95 65 64 A 37 PHE HD% A 59 LEU HD1% 1.0 . 3.84 66 65 A 24 TRP HD1 A 31 VAL HGx% 1.0 . 3.71 67 66 A 37 PHE HD% A 57 LEU HD2% 1.0 . 3.92 68 67 A 37 PHE HE% A 57 LEU HD2% 1.0 . 3.52 69 68 A 37 PHE HE% A 59 LEU HD1% 1.0 . 5.02 70 69 A 37 PHE HE% A 57 LEU HD1% 1.0 . 3.65 71 70 A 53 PHE HD% A 31 VAL HGx% 1.0 . 4.02 72 71 A 68 PHE HD% A 33 ILE HD1% 1.0 . 4.27 73 72 A 68 PHE HD% A 31 VAL HGx% 1.0 . 3.31 74 73 A 24 TRP HZ2 A 70 VAL HGx% 1.0 . 3.92 75 74 A 53 PHE HE% A 48 LYS HGy 1.0 . 3.93 76 75 A 68 PHE HE% A 22 ILE HG2% 1.0 . 3.02 77 76 A 68 PHE HE% A 46 LEU HD2% 1.0 . 3.12 78 77 A 68 PHE HE% A 33 ILE HD1% 1.0 . 3.68 79 78 A 68 PHE HE% A 31 VAL HGx% 1.0 . 4.27 80 79 A 68 PHE HE% A 22 ILE HD1% 1.0 . 4.28 81 80 A 32 PHE HD% A 43 LYS HDy 1.0 . 4.81 82 81 A 53 PHE HD% A 48 LYS HGy 1.0 . 4.28 83 82 A 32 PHE HD% A 43 LYS HDx 1.0 . 4.81 84 83 A 75 VAL HGy% A 24 TRP HH2 1.0 . 3.17 85 84 A 75 VAL HGx% A 24 TRP HH2 1.0 . 3.70 86 85 A 53 PHE HD% A 31 VAL HB 1.0 . 3.81 87 86 A 53 PHE HD% A 46 LEU HD2% 1.0 . 4.19 88 87 A 53 PHE HD% A 48 LYS HGx 1.0 . 4.64 89 88 A 53 PHE HD% A 46 LEU HBx 1.0 . 3.35 90 89 A 24 TRP HD1 A 70 VAL HGx% 1.0 . 4.72 91 90 A 76 HIS HD2 A 90 ILE HG2% 1.0 . 4.08 92 91 A 37 PHE HZ A 57 LEU HD1% 1.0 . 3.73 93 92 A 64 HIS HD2 A 59 LEU HD1% 1.0 . 3.40 94 93 A 33 ILE HD1% A 37 PHE HZ 1.0 . 3.93 95 94 A 37 PHE HZ A 57 LEU HD2% 1.0 . 4.12 96 95 A 68 PHE HZ A 22 ILE HG2% 1.0 . 3.01 97 96 A 65 GLN HE2x A 83 VAL HGy% 1.0 . 4.04 98 97 A 68 PHE HZ A 33 ILE HD1% 1.0 . 4.23 99 98 A 68 PHE HZ A 22 ILE HD1% 1.0 . 4.35 100 99 A 66 TYR HD% A 33 ILE HB 1.0 . 4.60 101 100 A 66 TYR HD% A 22 ILE HB 1.0 . 5.50 102 101 A 66 TYR HD% A 93 LEU HBy 1.0 . 5.50 103 102 A 66 TYR HD% A 33 ILE HG1x 1.0 . 3.97 104 103 A 37 PHE HZ A 44 ILE HB 1.0 . 4.68 105 104 A 40 TRP HH2 A 65 GLN HBx 1.0 . 5.07 106 105 A 63 GLU HGy A 95 HIS HD2 1.0 . 4.49 107 106 A 95 HIS HD2 A 63 GLU HBx 1.0 . 4.06 108 106 A 63 GLU HBy A 95 HIS HD2 1.0 . 4.06 109 107 A 95 HIS HD2 A 63 GLU HGx 1.0 . 4.46 110 108 A 37 PHE HZ A 33 ILE HB 1.0 . 4.80 111 109 A 64 HIS HD2 A 59 LEU HBx 1.0 . 4.31 112 110 A 40 TRP HH2 A 35 GLY HAy 1.0 . 4.19 113 111 A 66 TYR HE% A 22 ILE HB 1.0 . 5.36 114 112 A 66 TYR HE% A 93 LEU HBy 1.0 . 5.50 115 113 A 37 PHE HE% A 33 ILE HG1x 1.0 . 4.36 116 114 A 37 PHE HZ A 33 ILE HG1x 1.0 . 4.26 117 115 A 93 LEU HG A 95 HIS HD2 1.0 . 4.00 118 116 A 40 TRP HZ3 A 67 LYS HBy 1.0 . 4.44 119 117 A 76 HIS HD2 A 78 PRO HBx 1.0 . 4.97 120 118 A 40 TRP HZ3 A 67 LYS HBx 1.0 . 4.44 121 119 A 76 HIS HD2 A 82 VAL HB 1.0 . 4.64 122 120 A 40 TRP HH2 A 65 GLN HBy 1.0 . 4.16 123 121 A 24 TRP HH2 A 75 VAL HB 1.0 . 3.62 124 122 A 24 TRP HH2 A 26 GLU HBy 1.0 . 4.35 125 123 A 32 PHE HD% A 45 PRO HGy 1.0 . 4.91 126 124 A 32 PHE HD% A 45 PRO HBy 1.0 . 4.54 127 125 A 65 GLN HBx A 40 TRP HZ2 1.0 . 3.57 128 126 A 53 PHE HD% A 46 LEU HBy 1.0 . 4.25 129 127 A 53 PHE HD% A 46 LEU HG 1.0 . 5.00 130 128 A 48 LYS HBy A 53 PHE HD% 1.0 . 4.08 131 129 A 32 PHE HD% A 45 PRO HBx 1.0 . 4.43 132 130 A 65 GLN HBy A 40 TRP HZ2 1.0 . 3.45 133 131 A 53 PHE HD% A 24 TRP HBy 1.0 . 5.50 134 132 A 53 PHE HD% A 52 ASP HBx 1.0 . 5.50 135 133 A 24 TRP HZ2 A 26 GLU HBy 1.0 . 3.50 136 134 A 68 PHE HD% A 46 LEU HBy 1.0 . 5.20 137 135 A 24 TRP HZ2 A 26 GLU HGy 1.0 . 4.41 138 136 A 48 LYS HBy A 53 PHE HE% 1.0 . 3.69 139 137 A 24 TRP HZ2 A 26 GLU HGx 1.0 . 4.41 140 138 A 68 PHE HD% A 33 ILE HG1x 1.0 . 4.84 141 139 A 64 HIS HE1 A 60 PRO HGy 1.0 . 3.51 142 140 A 45 PRO HBy A 32 PHE HE% 1.0 . 4.28 143 141 A 64 HIS HE1 A 60 PRO HGx 1.0 . 3.51 144 142 A 32 PHE HE% A 30 GLU HBy 1.0 . 3.93 145 143 A 32 PHE HE% A 30 GLU HBx 1.0 . 3.93 146 144 A 45 PRO HBx A 32 PHE HE% 1.0 . 4.08 147 145 A 68 PHE HE% A 33 ILE HB 1.0 . 4.35 148 146 A 68 PHE HE% A 46 LEU HG 1.0 . 4.89 149 147 A 68 PHE HZ A 22 ILE HB 1.0 . 4.09 150 148 A 37 PHE HE% A 44 ILE HD1% 1.0 . 3.00 151 149 A 95 HIS HD2 A 93 LEU HD1% 1.0 . 3.78 152 150 A 93 LEU HD2% A 95 HIS HE1 1.0 . 3.99 153 151 A 37 PHE HZ A 33 ILE HG1y 1.0 . 3.88 154 152 A 37 PHE HZ A 44 ILE HD1% 1.0 . 3.83 155 153 A 37 PHE HZ A 33 ILE HG2% 1.0 . 3.52 156 154 A 76 HIS HD2 A 82 VAL HGy% 1.0 . 3.69 157 155 A 36 SER HA A 40 TRP HD1 1.0 . 3.65 158 156 A 37 PHE HD% A 35 GLY HAx 1.0 . 4.42 159 157 A 37 PHE HD% A 38 ASN HBy 1.0 . 4.71 160 158 A 69 PHE HZ A 72 GLY HAx 1.0 . 4.34 161 159 A 69 PHE HE% A 72 GLY HAx 1.0 . 4.15 162 160 A 76 HIS HBy A 92 ASN HD2y 1.0 . 4.45 163 161 A 64 HIS HD2 A 96 VAL HB 1.0 . 3.68 164 162 A 64 HIS HE1 A 60 PRO HDy 1.0 . 4.50 165 163 A 53 PHE HD% A 48 LYS HA 1.0 . 3.55 166 164 A 40 TRP HE3 A 34 SER HBx 1.0 . 4.32 167 165 A 69 PHE HZ A 72 GLY HAy 1.0 . 4.34 168 166 A 69 PHE HE% A 72 GLY HAy 1.0 . 4.15 169 167 A 64 HIS HD2 A 61 GLU HA 1.0 . 5.29 170 168 A 40 TRP HZ3 A 34 SER HBx 1.0 . 5.11 171 169 A 37 PHE HZ A 35 GLY HAx 1.0 . 4.83 172 170 A 40 TRP HH2 A 35 GLY HAx 1.0 . 5.29 173 171 A 32 PHE HE% A 45 PRO HA 1.0 . 4.01 174 172 A 68 PHE HD% A 67 LYS HA 1.0 . 4.61 175 173 A 53 PHE HD% A 47 ILE HA 1.0 . 4.73 176 174 A 40 TRP HE3 A 40 TRP HA 1.0 . 3.99 177 175 A 32 PHE HD% A 45 PRO HA 1.0 . 3.52 178 176 A 69 PHE HE% A 73 GLN HA 1.0 . 4.19 179 177 A 37 PHE HE% A 34 SER HA 1.0 . 4.34 180 178 A 40 TRP HD1 A 39 ASN HA 1.0 . 3.32 181 179 A 37 PHE HZ A 34 SER HA 1.0 . 4.29 182 180 A 76 HIS HD2 A 78 PRO HA 1.0 . 3.31 183 181 A 64 HIS HD2 A 96 VAL HA 1.0 . 5.16 184 182 A 40 TRP HZ2 A 66 TYR HA 1.0 . 4.52 185 183 A 53 PHE HA A 53 PHE HE% 1.0 . 4.58 186 184 A 40 TRP HH2 A 66 TYR HA 1.0 . 3.73 187 185 A 40 TRP HZ3 A 66 TYR HA 1.0 . 4.22 188 186 A 76 HIS HD2 A 76 HIS HA 1.0 . 4.47 189 187 A 33 ILE HA A 68 PHE HD% 1.0 . 4.16 190 188 A 68 PHE HE% A 66 TYR HD% 1.0 . 4.68 191 189 A 37 PHE HZ A 66 TYR HBx 1.0 . 4.22 192 189 A 37 PHE HZ A 66 TYR HBy 1.0 . 4.22 193 190 A 24 TRP HBx A 24 TRP HD1 1.0 . 3.20 194 191 A 64 HIS HD2 A 64 HIS HBy 1.0 . 3.63 195 192 A 37 PHE HE% A 66 TYR HBx 1.0 . 3.55 196 192 A 37 PHE HE% A 66 TYR HBy 1.0 . 3.55 197 193 A 23 ARG HA A 54 VAL HA 1.0 . 2.96 198 194 A 65 GLN HA A 93 LEU HA 1.0 . 3.09 199 195 A 32 PHE HD% A 69 PHE HD% 1.0 . 3.27 200 196 A 74 TRP HA A 74 TRP HE3 1.0 . 3.88 201 197 A 69 PHE HD% A 72 GLY H 1.0 . 4.16 202 198 A 32 PHE HE% A 69 PHE HD% 1.0 . 4.70 203 199 A 68 PHE HD% A 76 HIS HA 1.0 . 3.31 204 200 A 68 PHE HD% A 68 PHE HA 1.0 . 3.49 205 201 A 92 ASN HD2y A 76 HIS HA 1.0 . 3.71 206 202 A 32 PHE HA A 32 PHE HE% 1.0 . 4.91 207 203 A 53 PHE HA A 53 PHE HD% 1.0 . 3.44 208 204 A 66 TYR HA A 35 GLY H 1.0 . 4.60 209 205 A 77 ASP HA A 24 TRP HH2 1.0 . 4.83 210 206 A 37 PHE HE% A 66 TYR HA 1.0 . 3.75 211 207 A 95 HIS HA A 95 HIS HD2 1.0 . 3.60 212 208 A 66 TYR HE% A 93 LEU HA 1.0 . 3.80 213 209 A 66 TYR HD% A 93 LEU HA 1.0 . 3.33 214 210 A 77 ASP HA A 24 TRP HZ3 1.0 . 3.74 215 211 A 65 GLN HA A 66 TYR HD% 1.0 . 3.75 216 212 A 32 PHE HA A 45 PRO HA 1.0 . 3.33 217 213 A 73 GLN HA A 74 TRP HA 1.0 . 4.62 218 214 A 69 PHE HD% A 32 PHE HBx 1.0 . 4.03 219 214 A 69 PHE HD% A 32 PHE HBy 1.0 . 4.03 220 215 A 35 GLY HAx A 66 TYR HA 1.0 . 3.71 221 216 A 24 TRP HBx A 54 VAL HA 1.0 . 4.84 222 217 A 82 VAL HA A 92 ASN HBx 1.0 . 4.31 223 218 A 82 VAL HA A 82 VAL HB 1.0 . 2.96 224 219 A 92 ASN HA A 82 VAL HB 1.0 . 4.02 225 220 A 23 ARG HA A 54 VAL HB 1.0 . 4.20 226 221 A 32 PHE HA A 46 LEU HBy 1.0 . 4.43 227 222 A 69 PHE HD% A 43 LYS HDy 1.0 . 4.23 228 223 A 69 PHE HD% A 43 LYS HDx 1.0 . 4.23 229 224 A 33 ILE HD1% A 68 PHE HA 1.0 . 4.57 230 225 A 33 ILE HA A 33 ILE HD1% 1.0 . 3.90 231 226 A 33 ILE HD1% A 66 TYR HA 1.0 . 4.66 232 227 A 32 PHE HA A 31 VAL HGx% 1.0 . 4.19 233 228 A 31 VAL HGx% A 68 PHE HA 1.0 . 4.41 234 229 A 90 ILE HG2% A 91 ASN HA 1.0 . 4.01 235 230 A 70 VAL HGy% A 68 PHE HA 1.0 . 4.79 236 231 A 92 ASN HA A 90 ILE HG2% 1.0 . 4.78 237 232 A 53 PHE HA A 48 LYS HGy 1.0 . 4.36 238 233 A 53 PHE HA A 46 LEU HBx 1.0 . 4.24 239 234 A 94 ILE HG2% A 93 LEU HA 1.0 . 3.79 240 235 A 33 ILE HA A 33 ILE HG1y 1.0 . 3.80 241 236 A 33 ILE HA A 46 LEU HD1% 1.0 . 3.94 242 237 A 23 ARG HA A 23 ARG HGy 1.0 . 3.74 243 238 A 33 ILE HA A 33 ILE HG1x 1.0 . 3.54 244 239 A 32 PHE HA A 33 ILE HB 1.0 . 4.47 245 240 A 82 VAL HA A 93 LEU HBy 1.0 . 4.67 246 241 A 32 PHE HA A 55 ALA HB% 1.0 . 5.50 247 242 A 82 VAL HA A 93 LEU HBx 1.0 . 5.50 248 243 A 92 ASN HA A 93 LEU HBy 1.0 . 4.62 249 244 A 65 GLN HA A 93 LEU HBx 1.0 . 4.35 250 245 A 65 GLN HA A 93 LEU HD1% 1.0 . 3.11 251 246 A 77 ASP HA A 78 PRO HDy 1.0 . 3.39 252 247 A 53 PHE HA A 48 LYS HA 1.0 . 3.05 253 248 A 77 ASP HA A 78 PRO HDx 1.0 . 3.39 254 249 A 80 GLU HA A 81 PRO HDx 1.0 . 3.51 255 249 A 80 GLU HA A 81 PRO HDy 1.0 . 3.51 256 250 A 31 VAL HGx% A 71 ASP H 1.0 . 5.34 257 251 A 32 PHE HD% A 71 ASP H 1.0 . 5.03 258 252 A 74 TRP HE3 A 74 TRP HBy 1.0 . 3.62 259 253 A 33 ILE HA A 66 TYR HD% 1.0 . 5.10 260 254 A 24 TRP HZ3 A 76 HIS HA 1.0 . 4.57 261 255 A 92 ASN HA A 66 TYR HE% 1.0 . 4.47 262 256 A 24 TRP HZ3 A 78 PRO HDx 1.0 . 4.73 263 257 A 32 PHE HE% A 45 PRO HDx 1.0 . 4.44 264 258 A 93 LEU HG A 95 HIS HE1 1.0 . 4.64 265 259 A 95 HIS HE1 A 63 GLU HBx 1.0 . 5.14 266 259 A 63 GLU HBy A 95 HIS HE1 1.0 . 5.14 267 260 A 65 GLN HA A 40 TRP HZ2 1.0 . 4.88 268 261 A 53 PHE HD% A 24 TRP HD1 1.0 . 2.98 269 262 A 24 TRP HE3 A 68 PHE HBy 1.0 . 4.99 270 263 A 68 PHE HD% A 24 TRP HE3 1.0 . 3.88 271 264 A 68 PHE HD% A 24 TRP HZ3 1.0 . 3.46 272 265 A 37 PHE HD% A 37 PHE HA 1.0 . 3.93 273 266 A 24 TRP HD1 A 53 PHE HBy 1.0 . 3.27 274 267 A 40 TRP HE3 A 40 TRP HBx 1.0 . 4.13 275 268 A 40 TRP HE3 A 40 TRP HBy 1.0 . 4.13 276 269 A 40 TRP HE3 A 74 TRP HZ3 1.0 . 4.47 277 270 A 64 HIS HE1 A 59 LEU HBy 1.0 . 4.60 278 271 A 59 LEU HD2% A 64 HIS HE1 1.0 . 4.93 279 272 A 68 PHE HE% A 66 TYR HE% 1.0 . 3.16 280 273 A 66 TYR HE% A 93 LEU H 1.0 . 3.54 281 274 A 68 PHE HE% A 68 PHE HA 1.0 . 4.47 282 275 A 68 PHE HZ A 24 TRP HE3 1.0 . 4.30 283 276 A 68 PHE HD% A 68 PHE HZ 1.0 . 3.90 284 277 A 68 PHE HE% A 24 TRP HE3 1.0 . 3.85 285 278 A 68 PHE HE% A 24 TRP HZ3 1.0 . 3.85 286 279 A 69 PHE HZ A 69 PHE HD% 1.0 . 3.88 287 280 A 40 TRP HZ3 A 74 TRP HE3 1.0 . 5.50 288 281 A 40 TRP HZ3 A 74 TRP HZ3 1.0 . 4.06 289 282 A 95 HIS HD2 A 95 HIS HBy 1.0 . 3.66 290 283 A 40 TRP HE3 A 34 SER HBy 1.0 . 4.32 291 284 A 68 PHE HE% A 77 ASP HBx 1.0 . 3.98 292 285 A 40 TRP HH2 A 65 GLN HE2y 1.0 . 4.84 293 286 A 24 TRP HZ2 A 75 VAL HB 1.0 . 3.99 294 287 A 22 ILE HD1% A 22 ILE HB 1.0 . 3.64 295 288 A 22 ILE HD1% A 33 ILE HB 1.0 . 5.04 296 289 A 22 ILE HD1% A 94 ILE HG1y 1.0 . 5.26 297 290 A 22 ILE HD1% A 94 ILE HD1% 1.0 . 3.20 298 291 A 22 ILE HD1% A 59 LEU HD1% 1.0 . 4.20 299 292 A 22 ILE HD1% A 55 ALA HB% 1.0 . 4.59 300 293 A 90 ILE HG2% A 90 ILE HD1% 1.0 . 2.89 301 294 A 90 ILE HD1% A 84 THR HG2% 1.0 . 3.55 302 295 A 90 ILE HD1% A 90 ILE HB 1.0 . 3.37 303 296 A 82 VAL HB A 90 ILE HD1% 1.0 . 4.07 304 297 A 90 ILE HD1% A 84 THR HA 1.0 . 3.75 305 298 A 90 ILE HD1% A 90 ILE HA 1.0 . 3.40 306 299 A 47 ILE HA A 47 ILE HD1% 1.0 . 3.51 307 300 A 55 ALA HB% A 47 ILE HD1% 1.0 . 4.72 308 301 A 56 ILE HB A 56 ILE HD1% 1.0 . 3.26 309 302 A 37 PHE HD% A 44 ILE HD1% 1.0 . 3.95 310 303 A 44 ILE HD1% A 44 ILE HG2% 1.0 . 3.39 311 304 A 44 ILE HD1% A 44 ILE HA 1.0 . 4.00 312 305 A 94 ILE HD1% A 20 THR HG2% 1.0 . 2.58 313 306 A 57 LEU HD1% A 44 ILE HD1% 1.0 . 4.51 314 307 A 94 ILE HB A 94 ILE HD1% 1.0 . 3.39 315 308 A 33 ILE HD1% A 67 LYS HA 1.0 . 5.45 316 309 A 33 ILE HD1% A 33 ILE HB 1.0 . 3.65 317 310 A 37 PHE HE% A 33 ILE HD1% 1.0 . 4.36 318 311 A 33 ILE HD1% A 44 ILE HB 1.0 . 5.01 319 312 A 33 ILE HD1% A 22 ILE HG2% 1.0 . 3.33 320 313 A 33 ILE HD1% A 22 ILE HD1% 1.0 . 3.32 321 314 A 33 ILE HD1% A 55 ALA HB% 1.0 . 3.77 322 315 A 33 ILE HD1% A 33 ILE HG2% 1.0 . 3.15 323 316 A 33 ILE HD1% A 66 TYR HBx 1.0 . 4.26 324 316 A 33 ILE HD1% A 66 TYR HBy 1.0 . 4.26 325 317 A 94 ILE HG2% A 94 ILE HD1% 1.0 . 2.85 326 318 A 94 ILE HG2% A 22 ILE HD1% 1.0 . 3.64 327 319 A 94 ILE HG2% A 59 LEU HD1% 1.0 . 3.56 328 320 A 94 ILE HG2% A 64 HIS HBy 1.0 . 3.62 329 321 A 94 ILE HG2% A 66 TYR HBx 1.0 . 4.16 330 321 A 94 ILE HG2% A 66 TYR HBy 1.0 . 4.16 331 322 A 94 ILE HG2% A 64 HIS HD2 1.0 . 3.79 332 323 A 94 ILE HG2% A 66 TYR HE% 1.0 . 4.00 333 324 A 94 ILE HA A 94 ILE HG2% 1.0 . 3.66 334 325 A 90 ILE HG2% A 76 HIS HE1 1.0 . 4.92 335 326 A 82 VAL HA A 90 ILE HG2% 1.0 . 3.91 336 327 A 90 ILE HG2% A 90 ILE HG1y 1.0 . 3.42 337 328 A 90 ILE HG2% A 90 ILE HG1x 1.0 . 3.42 338 329 A 90 ILE HG2% A 82 VAL HB 1.0 . 3.26 339 330 A 90 ILE HG2% A 82 VAL HGy% 1.0 . 3.16 340 331 A 90 ILE HG2% A 90 ILE HA 1.0 . 3.37 341 332 A 90 ILE HG2% A 82 VAL HGx% 1.0 . 3.02 342 333 A 68 PHE HD% A 33 ILE HG2% 1.0 . 5.07 343 334 A 33 ILE HA A 33 ILE HG2% 1.0 . 3.82 344 335 A 37 PHE HE% A 33 ILE HG2% 1.0 . 4.66 345 336 A 37 PHE HD% A 33 ILE HG2% 1.0 . 5.50 346 337 A 82 VAL HGy% A 81 PRO HA 1.0 . 4.06 347 338 A 82 VAL HGy% A 83 VAL HA 1.0 . 4.41 348 339 A 82 VAL HGy% A 90 ILE HD1% 1.0 . 3.35 349 340 A 92 ASN HA A 82 VAL HGy% 1.0 . 5.11 350 341 A 82 VAL HA A 82 VAL HGy% 1.0 . 3.54 351 342 A 56 ILE HG2% A 56 ILE HG1x 1.0 . 3.23 352 343 A 56 ILE HG2% A 21 VAL HB 1.0 . 3.55 353 344 A 56 ILE HG2% A 19 PRO HBx 1.0 . 3.80 354 345 A 56 ILE HG2% A 56 ILE HG1y 1.0 . 3.45 355 346 A 56 ILE HG2% A 56 ILE HA 1.0 . 3.23 356 347 A 47 ILE HA A 47 ILE HG2% 1.0 . 3.17 357 348 A 47 ILE HG2% A 47 ILE HG1y 1.0 . 3.46 358 349 A 22 ILE HG2% A 22 ILE HA 1.0 . 3.30 359 350 A 66 TYR HE% A 22 ILE HG2% 1.0 . 3.80 360 351 A 22 ILE HD1% A 22 ILE HG2% 1.0 . 3.02 361 352 A 66 TYR HD% A 22 ILE HG2% 1.0 . 4.39 362 353 A 28 GLY HAx A 31 VAL HGy% 1.0 . 4.31 363 354 A 70 VAL HA A 31 VAL HGy% 1.0 . 3.81 364 355 A 31 VAL HGy% A 31 VAL HA 1.0 . 3.59 365 356 A 31 VAL HGy% A 28 GLY HAy 1.0 . 4.75 366 357 A 31 VAL HGy% A 53 PHE HBy 1.0 . 4.55 367 358 A 24 TRP HBx A 31 VAL HGy% 1.0 . 4.72 368 359 A 31 VAL HGy% A 53 PHE HBx 1.0 . 4.95 369 360 A 31 VAL HGy% A 46 LEU HBx 1.0 . 4.52 370 361 A 30 GLU HA A 31 VAL HGy% 1.0 . 4.44 371 362 A 70 VAL HGy% A 31 VAL HGy% 1.0 . 3.34 372 363 A 31 VAL HGy% A 70 VAL HB 1.0 . 4.76 373 364 A 17 ALA HB% A 96 VAL HGx% 1.0 . 5.10 374 365 A 17 ALA HB% A 58 ASP HBx 1.0 . 3.90 375 365 A 17 ALA HB% A 58 ASP HBy 1.0 . 3.90 376 366 A 17 ALA HB% A 60 PRO HA 1.0 . 3.71 377 367 A 83 VAL HGy% A 83 VAL HA 1.0 . 3.33 378 368 A 70 VAL HA A 70 VAL HGy% 1.0 . 3.71 379 369 A 70 VAL HGy% A 68 PHE HBx 1.0 . 3.97 380 370 A 70 VAL HGy% A 68 PHE HBy 1.0 . 4.28 381 371 A 70 VAL HA A 70 VAL HGx% 1.0 . 3.42 382 372 A 28 GLY HAx A 70 VAL HGx% 1.0 . 3.69 383 373 A 31 VAL HGy% A 70 VAL HGx% 1.0 . 3.12 384 374 A 70 VAL HGx% A 28 GLY HAy 1.0 . 3.83 385 375 A 31 VAL HGx% A 70 VAL HGx% 1.0 . 3.78 386 376 A 70 VAL HGx% A 71 ASP HBy 1.0 . 4.48 387 377 A 70 VAL HGx% A 71 ASP HBx 1.0 . 4.48 388 378 A 42 THR HA A 42 THR HG2% 1.0 . 3.30 389 379 A 75 VAL HGx% A 70 VAL HGx% 1.0 . 4.24 390 380 A 61 GLU HA A 96 VAL HGx% 1.0 . 3.19 391 381 A 96 VAL HA A 96 VAL HGx% 1.0 . 3.18 392 382 A 20 THR HG2% A 20 THR HA 1.0 . 3.17 393 383 A 22 ILE HD1% A 20 THR HG2% 1.0 . 3.37 394 384 A 59 LEU HD1% A 20 THR HG2% 1.0 . 3.51 395 385 A 75 VAL HGy% A 68 PHE HBy 1.0 . 3.69 396 386 A 75 VAL HGy% A 75 VAL HA 1.0 . 3.70 397 387 A 75 VAL HGy% A 70 VAL HGy% 1.0 . 3.14 398 388 A 59 LEU HBx A 96 VAL HGx% 1.0 . 3.21 399 389 A 21 VAL HA A 21 VAL HGy% 1.0 . 3.29 400 390 A 93 LEU HG A 83 VAL HGx% 1.0 . 4.40 401 391 A 93 LEU HA A 83 VAL HGx% 1.0 . 3.80 402 392 A 92 ASN HA A 83 VAL HGx% 1.0 . 4.11 403 393 A 83 VAL HA A 83 VAL HGx% 1.0 . 3.42 404 394 A 56 ILE HG1y A 21 VAL HGx% 1.0 . 4.04 405 395 A 93 LEU HBx A 83 VAL HGx% 1.0 . 3.44 406 396 A 21 VAL HA A 21 VAL HGx% 1.0 . 3.20 407 397 A 46 LEU HA A 55 ALA HB% 1.0 . 3.65 408 398 A 55 ALA HB% A 47 ILE HG1x 1.0 . 4.45 409 399 A 84 THR HG2% A 84 THR HA 1.0 . 3.09 410 400 A 46 LEU HG A 55 ALA HB% 1.0 . 3.55 411 401 A 33 ILE HG2% A 55 ALA HB% 1.0 . 3.29 412 402 A 84 THR HG2% A 88 GLY HAx 1.0 . 4.12 413 403 A 84 THR HG2% A 90 ILE HA 1.0 . 3.93 414 404 A 84 THR HG2% A 88 GLY HAy 1.0 . 4.12 415 405 A 96 VAL HGy% A 59 LEU HD2% 1.0 . 4.19 416 406 A 96 VAL HGy% A 59 LEU HBy 1.0 . 3.57 417 407 A 96 VAL HGy% A 59 LEU HBx 1.0 . 3.76 418 408 A 96 VAL HGy% A 96 VAL HA 1.0 . 3.23 419 409 A 31 VAL HGx% A 46 LEU HBx 1.0 . 4.04 420 410 A 31 VAL HGx% A 46 LEU HG 1.0 . 4.29 421 411 A 31 VAL HGx% A 31 VAL HA 1.0 . 3.61 422 412 A 24 TRP HBy A 31 VAL HGx% 1.0 . 4.30 423 413 A 31 VAL HGx% A 70 VAL HB 1.0 . 4.87 424 414 A 24 TRP HBx A 31 VAL HGx% 1.0 . 3.89 425 415 A 31 VAL HGx% A 53 PHE HBx 1.0 . 4.49 426 416 A 31 VAL HGx% A 68 PHE HBx 1.0 . 4.64 427 417 A 96 VAL HGy% A 61 GLU HA 1.0 . 3.92 428 418 A 70 VAL HGy% A 31 VAL HGx% 1.0 . 3.34 429 419 A 90 ILE HD1% A 82 VAL HGx% 1.0 . 4.67 430 420 A 75 VAL HGx% A 70 VAL HB 1.0 . 3.83 431 421 A 59 LEU HD2% A 59 LEU HBx 1.0 . 4.04 432 422 A 59 LEU HD2% A 37 PHE HBy 1.0 . 3.99 433 423 A 59 LEU HD2% A 37 PHE HBx 1.0 . 4.13 434 424 A 82 VAL HA A 82 VAL HGx% 1.0 . 3.22 435 425 A 59 LEU HD2% A 60 PRO HDx 1.0 . 4.11 436 426 A 59 LEU HD2% A 59 LEU HBy 1.0 . 3.68 437 427 A 92 ASN HA A 82 VAL HGx% 1.0 . 3.63 438 428 A 76 HIS HD2 A 82 VAL HGx% 1.0 . 3.32 439 429 A 59 LEU HD2% A 37 PHE HA 1.0 . 3.96 440 430 A 59 LEU HD2% A 59 LEU HA 1.0 . 3.50 441 431 A 75 VAL HGx% A 73 GLN HBy 1.0 . 3.83 442 432 A 75 VAL HGx% A 73 GLN HBx 1.0 . 3.83 443 433 A 59 LEU HD2% A 60 PRO HDy 1.0 . 4.11 444 434 A 59 LEU HD2% A 57 LEU HD1% 1.0 . 3.76 445 435 A 75 VAL HGx% A 70 VAL HGy% 1.0 . 3.73 446 436 A 75 VAL HGx% A 75 VAL HA 1.0 . 3.25 447 437 A 59 LEU HD2% A 57 LEU HD2% 1.0 . 3.96 448 438 A 59 LEU HD1% A 57 LEU HD2% 1.0 . 5.15 449 439 A 57 LEU HD2% A 33 ILE HG2% 1.0 . 3.41 450 440 A 57 LEU HD2% A 44 ILE HD1% 1.0 . 2.98 451 441 A 57 LEU HD2% A 57 LEU HA 1.0 . 2.98 452 442 A 57 LEU HD2% A 55 ALA HB% 1.0 . 3.73 453 443 A 57 LEU HD2% A 57 LEU HBx 1.0 . 3.44 454 444 A 89 THR HG2% A 87 LEU HD1% 1.0 . 4.64 455 445 A 89 THR HG2% A 89 THR HA 1.0 . 3.28 456 446 A 89 THR HG2% A 87 LEU HG 1.0 . 4.09 457 447 A 89 THR HG2% A 87 LEU HD2% 1.0 . 4.64 458 448 A 101 PHE HBx A 98 LYS HGx 1.0 . 3.91 459 448 A 98 LYS HGy A 101 PHE HBx 1.0 . 3.91 460 449 A 101 PHE HA A 98 LYS HGx 1.0 . 4.80 461 449 A 98 LYS HGy A 101 PHE HA 1.0 . 4.80 462 450 A 93 LEU HD1% A 65 GLN HGy 1.0 . 4.26 463 451 A 93 LEU HD1% A 63 GLU HA 1.0 . 4.13 464 452 A 93 LEU HD1% A 64 HIS HA 1.0 . 4.55 465 453 A 93 LEU HD1% A 63 GLU HBx 1.0 . 3.55 466 453 A 63 GLU HBy A 93 LEU HD1% 1.0 . 3.55 467 454 A 59 LEU HD1% A 20 THR HB 1.0 . 3.81 468 455 A 59 LEU HD1% A 37 PHE HBy 1.0 . 4.68 469 456 A 96 VAL HGy% A 59 LEU HD1% 1.0 . 2.98 470 457 A 94 ILE HD1% A 59 LEU HD1% 1.0 . 3.52 471 458 A 33 ILE HD1% A 59 LEU HD1% 1.0 . 5.50 472 459 A 66 TYR HE% A 93 LEU HD1% 1.0 . 5.00 473 460 A 98 LYS HA A 98 LYS HGx 1.0 . 3.63 474 460 A 98 LYS HGy A 98 LYS HA 1.0 . 3.63 475 461 A 48 LYS HA A 48 LYS HGy 1.0 . 4.24 476 462 A 59 LEU HD1% A 59 LEU HA 1.0 . 4.48 477 463 A 59 LEU HD1% A 59 LEU HBx 1.0 . 3.89 478 464 A 59 LEU HD1% A 59 LEU HBy 1.0 . 3.76 479 465 A 87 LEU HA A 87 LEU HD1% 1.0 . 4.09 480 466 A 87 LEU HBy A 87 LEU HD1% 1.0 . 4.12 481 467 A 46 LEU HD1% A 22 ILE HB 1.0 . 4.13 482 468 A 46 LEU HD1% A 33 ILE HG2% 1.0 . 2.66 483 469 A 46 LEU HD1% A 55 ALA HA 1.0 . 4.43 484 470 A 46 LEU HD1% A 55 ALA HB% 1.0 . 3.13 485 471 A 53 PHE HD% A 46 LEU HD1% 1.0 . 5.47 486 472 A 32 PHE HA A 46 LEU HD1% 1.0 . 3.73 487 473 A 46 LEU HD1% A 33 ILE HB 1.0 . 3.38 488 474 A 46 LEU HD1% A 33 ILE HD1% 1.0 . 3.64 489 475 A 46 LEU HD1% A 22 ILE HD1% 1.0 . 4.86 490 476 A 46 LEU HD1% A 57 LEU HD1% 1.0 . 5.23 491 477 A 24 TRP HBx A 46 LEU HD1% 1.0 . 5.04 492 478 A 46 LEU HD1% A 53 PHE HBx 1.0 . 5.35 493 479 A 46 LEU HD1% A 31 VAL HGx% 1.0 . 3.40 494 480 A 46 LEU HA A 46 LEU HD1% 1.0 . 3.66 495 481 A 46 LEU HD1% A 31 VAL HGy% 1.0 . 5.04 496 482 A 68 PHE HE% A 46 LEU HD1% 1.0 . 4.42 497 483 A 93 LEU HD2% A 93 LEU HA 1.0 . 3.98 498 484 A 93 LEU HD2% A 81 PRO HBx 1.0 . 5.05 499 485 A 93 LEU HBy A 93 LEU HD2% 1.0 . 3.31 500 486 A 93 LEU HD2% A 93 LEU HBx 1.0 . 3.27 501 487 A 93 LEU HD2% A 81 PRO HGy 1.0 . 4.54 502 488 A 87 LEU HA A 87 LEU HD2% 1.0 . 4.09 503 489 A 93 LEU HD2% A 63 GLU HA 1.0 . 5.50 504 490 A 94 ILE HA A 93 LEU HD2% 1.0 . 5.50 505 491 A 93 LEU HD2% A 83 VAL HA 1.0 . 5.35 506 492 A 87 LEU HBy A 87 LEU HD2% 1.0 . 4.12 507 493 A 87 LEU HBx A 87 LEU HD2% 1.0 . 4.12 508 494 A 57 LEU HD1% A 59 LEU HD1% 1.0 . 3.91 509 495 A 57 LEU HD1% A 33 ILE HG2% 1.0 . 3.76 510 496 A 57 LEU HD1% A 57 LEU HA 1.0 . 4.20 511 497 A 57 LEU HD1% A 20 THR HG2% 1.0 . 4.88 512 498 A 94 ILE HG2% A 57 LEU HD1% 1.0 . 5.38 513 499 A 57 LEU HD1% A 55 ALA HB% 1.0 . 4.00 514 500 A 57 LEU HD1% A 57 LEU HBx 1.0 . 3.90 515 501 A 31 VAL HGy% A 46 LEU HD2% 1.0 . 4.33 516 502 A 46 LEU HD2% A 53 PHE HBy 1.0 . 3.99 517 503 A 68 PHE HD% A 46 LEU HD2% 1.0 . 4.13 518 504 A 46 LEU HA A 46 LEU HD2% 1.0 . 3.86 519 505 A 33 ILE HD1% A 46 LEU HD2% 1.0 . 4.51 520 506 A 24 TRP HBx A 46 LEU HD2% 1.0 . 4.01 521 507 A 46 LEU HD2% A 53 PHE HBx 1.0 . 4.24 522 508 A 31 VAL HGx% A 46 LEU HD2% 1.0 . 3.33 523 509 A 24 TRP HBy A 46 LEU HD2% 1.0 . 4.26 524 510 A 46 LEU HD2% A 23 ARG HA 1.0 . 4.10 525 511 A 24 TRP HD1 A 46 LEU HD2% 1.0 . 4.66 526 512 A 53 PHE HA A 46 LEU HD2% 1.0 . 4.53 527 513 A 45 PRO HGy A 32 PHE HE% 1.0 . 4.66 528 514 A 33 ILE HG1y A 33 ILE HG2% 1.0 . 3.81 529 515 A 33 ILE HG1x A 33 ILE HG2% 1.0 . 3.77 530 516 A 46 LEU HD1% A 33 ILE HG1x 1.0 . 4.33 531 517 A 98 LYS HDx A 98 LYS HGx 1.0 . 2.47 532 517 A 98 LYS HDy A 98 LYS HGx 1.0 . 2.47 533 517 A 98 LYS HGy A 98 LYS HDx 1.0 . 2.47 534 517 A 98 LYS HGy A 98 LYS HDy 1.0 . 2.47 535 518 A 96 VAL HGx% A 61 GLU HBx 1.0 . 3.96 536 518 A 96 VAL HGx% A 61 GLU HBy 1.0 . 3.96 537 519 A 81 PRO HDy A 80 GLU HBx 1.0 . 4.62 538 519 A 80 GLU HBx A 81 PRO HDx 1.0 . 4.62 539 520 A 19 PRO HDy A 18 ARG HBx 1.0 . 5.50 540 521 A 63 GLU HGy A 63 GLU HBx 1.0 . 2.79 541 521 A 63 GLU HBy A 63 GLU HGy 1.0 . 2.79 542 522 A 22 ILE HB A 46 LEU HG 1.0 . 5.29 543 523 A 46 LEU HA A 46 LEU HG 1.0 . 4.02 544 524 A 93 LEU HG A 63 GLU HBx 1.0 . 5.12 545 524 A 63 GLU HBy A 93 LEU HG 1.0 . 5.12 546 525 A 40 TRP HZ3 A 65 GLN HBy 1.0 . 5.50 547 526 A 45 PRO HBy A 47 ILE HD1% 1.0 . 4.03 548 527 A 56 ILE HG2% A 19 PRO HBy 1.0 . 3.80 549 528 A 56 ILE HG1x A 21 VAL HB 1.0 . 4.32 550 529 A 93 LEU HD2% A 81 PRO HBy 1.0 . 4.21 551 530 A 73 GLN HA A 73 GLN HGy 1.0 . 3.89 552 531 A 75 VAL HGx% A 73 GLN HGy 1.0 . 5.50 553 532 A 75 VAL HGx% A 73 GLN HGx 1.0 . 5.50 554 533 A 76 HIS HBy A 90 ILE HG2% 1.0 . 5.07 555 534 A 16 GLN HA A 16 GLN HGx 1.0 . 3.37 556 534 A 16 GLN HA A 16 GLN HGy 1.0 . 3.37 557 535 A 75 VAL HGy% A 70 VAL HB 1.0 . 4.02 558 536 A 37 PHE HD% A 64 HIS HBy 1.0 . 4.81 559 537 A 93 LEU HD1% A 65 GLN HGx 1.0 . 4.26 560 538 A 86 GLN HGy A 86 GLN HBx 1.0 . 3.01 561 538 A 86 GLN HBx A 86 GLN HGx 1.0 . 3.01 562 539 A 86 GLN HGy A 86 GLN HBy 1.0 . 3.01 563 539 A 86 GLN HBy A 86 GLN HGx 1.0 . 3.01 564 540 A 86 GLN HA A 86 GLN HGx 1.0 . 3.13 565 540 A 86 GLN HGy A 86 GLN HA 1.0 . 3.13 566 541 A 26 GLU HA A 26 GLU HGy 1.0 . 3.89 567 542 A 31 VAL HB A 46 LEU HBx 1.0 . 4.86 568 543 A 61 GLU HA A 61 GLU HGy 1.0 . 4.14 569 544 A 61 GLU HA A 61 GLU HGx 1.0 . 4.14 570 545 A 95 HIS HA A 63 GLU HGx 1.0 . 4.55 571 546 A 63 GLU HGx A 63 GLU HA 1.0 . 3.98 572 547 A 63 GLU HGx A 93 LEU HD1% 1.0 . 3.71 573 548 A 95 HIS HA A 63 GLU HGy 1.0 . 5.50 574 549 A 84 THR HG2% A 90 ILE HB 1.0 . 5.50 575 550 A 47 ILE HD1% A 47 ILE HB 1.0 . 3.35 576 551 A 33 ILE HD1% A 22 ILE HB 1.0 . 4.55 577 552 A 22 ILE HB A 55 ALA HB% 1.0 . 4.03 578 553 A 32 PHE HE% A 43 LYS HEy 1.0 . 5.50 579 554 A 32 PHE HE% A 43 LYS HEx 1.0 . 5.50 580 555 A 44 ILE HB A 33 ILE HG2% 1.0 . 3.86 581 556 A 44 ILE HB A 44 ILE HD1% 1.0 . 3.37 582 557 A 75 VAL HGy% A 68 PHE HBx 1.0 . 4.52 583 558 A 46 LEU HBy A 53 PHE HBx 1.0 . 4.57 584 559 A 98 LYS HEy A 98 LYS HGx 1.0 . 3.11 585 559 A 98 LYS HEx A 98 LYS HGx 1.0 . 3.11 586 559 A 98 LYS HGy A 98 LYS HEx 1.0 . 3.11 587 559 A 98 LYS HGy A 98 LYS HEy 1.0 . 3.11 588 560 A 29 LYS HA A 29 LYS HEx 1.0 . 4.79 589 560 A 29 LYS HA A 29 LYS HEy 1.0 . 4.79 590 561 A 29 LYS HBy A 29 LYS HEx 1.0 . 4.26 591 561 A 29 LYS HBx A 29 LYS HEx 1.0 . 4.26 592 561 A 29 LYS HEy A 29 LYS HBx 1.0 . 4.26 593 561 A 29 LYS HEy A 29 LYS HBy 1.0 . 4.26 594 562 A 61 GLU HBy A 98 LYS HEx 1.0 . 4.80 595 562 A 61 GLU HBx A 98 LYS HEx 1.0 . 4.80 596 562 A 98 LYS HEy A 61 GLU HBx 1.0 . 4.80 597 562 A 61 GLU HBy A 98 LYS HEy 1.0 . 4.80 598 563 A 48 LYS HGy A 48 LYS HEy 1.0 . 4.14 599 564 A 48 LYS HGy A 48 LYS HEx 1.0 . 4.14 600 565 A 83 VAL HGx% A 91 ASN HBx 1.0 . 4.72 601 566 A 46 LEU HBx A 53 PHE HBx 1.0 . 5.27 602 567 A 23 ARG HDy A 23 ARG HBx 1.0 . 3.95 603 567 A 23 ARG HBx A 23 ARG HDx 1.0 . 3.95 604 568 A 23 ARG HDy A 23 ARG HBy 1.0 . 3.95 605 568 A 23 ARG HBy A 23 ARG HDx 1.0 . 3.95 606 569 A 23 ARG HA A 23 ARG HDx 1.0 . 4.91 607 569 A 23 ARG HA A 23 ARG HDy 1.0 . 4.91 608 570 A 96 VAL HB A 62 GLY HAx 1.0 . 5.42 609 571 A 62 GLY HAx A 63 GLU HBx 1.0 . 5.36 610 571 A 63 GLU HBy A 62 GLY HAx 1.0 . 5.36 611 572 A 87 LEU HD1% A 87 LEU HBx 1.0 . 4.12 612 573 A 59 LEU HD2% A 57 LEU HBy 1.0 . 4.89 613 574 A 59 LEU HD2% A 57 LEU HBx 1.0 . 4.51 614 575 A 93 LEU HBx A 81 PRO HBy 1.0 . 5.18 615 576 A 93 LEU HBy A 81 PRO HBx 1.0 . 5.24 616 577 A 93 LEU HBy A 83 VAL HB 1.0 . 5.50 617 578 A 93 LEU HD1% A 93 LEU HBx 1.0 . 3.62 618 579 A 93 LEU HBy A 81 PRO HBy 1.0 . 4.52 619 580 A 59 LEU HA A 60 PRO HDx 1.0 . 4.04 620 581 A 64 HIS HE1 A 60 PRO HDx 1.0 . 4.50 621 582 A 56 ILE HD1% A 55 ALA HA 1.0 . 3.84 622 583 A 56 ILE HB A 55 ALA HA 1.0 . 5.50 623 584 A 19 PRO HDx A 18 ARG HBy 1.0 . 4.50 624 585 A 19 PRO HDx A 18 ARG HBx 1.0 . 4.50 625 586 A 19 PRO HDx A 18 ARG HA 1.0 . 3.56 626 587 A 59 LEU HA A 60 PRO HDy 1.0 . 4.04 627 588 A 19 PRO HDy A 18 ARG HBy 1.0 . 5.50 628 589 A 81 PRO HDy A 80 GLU HBy 1.0 . 4.62 629 589 A 80 GLU HBy A 81 PRO HDx 1.0 . 4.62 630 590 A 60 PRO HA A 17 ALA HA 1.0 . 3.59 631 591 A 17 ALA HA A 60 PRO HBx 1.0 . 5.17 632 592 A 58 ASP HA A 19 PRO HBx 1.0 . 4.38 633 593 A 73 GLN HA A 73 GLN HGx 1.0 . 3.89 634 594 A 58 ASP HA A 19 PRO HBy 1.0 . 4.38 635 595 A 65 GLN HBy A 93 LEU HA 1.0 . 4.76 636 596 A 19 PRO HDy A 18 ARG HA 1.0 . 3.60 637 597 A 93 LEU HG A 93 LEU HA 1.0 . 4.17 638 598 A 93 LEU HD1% A 93 LEU HA 1.0 . 3.36 639 599 A 80 GLU HA A 81 PRO HGy 1.0 . 4.72 640 600 A 52 ASP HA A 51 ASN HA 1.0 . 4.65 641 601 A 95 HIS HA A 93 LEU HD1% 1.0 . 4.45 642 602 A 95 HIS HA A 63 GLU HA 1.0 . 3.33 643 603 A 75 VAL HGy% A 76 HIS HA 1.0 . 4.36 644 604 A 36 SER HA A 39 ASN HA 1.0 . 4.18 645 605 A 95 HIS HD2 A 63 GLU HA 1.0 . 4.50 646 606 A 63 GLU HGy A 63 GLU HA 1.0 . 4.18 647 607 A 63 GLU HGy A 64 HIS HA 1.0 . 4.49 648 608 A 94 ILE HG2% A 63 GLU HA 1.0 . 5.09 649 609 A 94 ILE HG2% A 64 HIS HA 1.0 . 5.50 650 610 A 96 VAL HGy% A 63 GLU HA 1.0 . 5.50 651 611 A 64 HIS HD2 A 63 GLU HA 1.0 . 4.47 652 612 A 97 LYS HA A 61 GLU HGy 1.0 . 4.25 653 613 A 37 PHE HD% A 64 HIS HA 1.0 . 5.50 654 614 A 97 LYS HA A 61 GLU HBx 1.0 . 4.67 655 614 A 61 GLU HBy A 97 LYS HA 1.0 . 4.67 656 615 A 97 LYS HA A 61 GLU HGx 1.0 . 4.25 657 616 A 32 PHE HA A 32 PHE HD% 1.0 . 4.62 658 617 A 44 ILE HD1% A 43 LYS HA 1.0 . 5.11 659 618 A 26 GLU HA A 26 GLU HGx 1.0 . 3.89 660 619 A 15 GLN HA A 15 GLN HGx 1.0 . 3.39 661 619 A 15 GLN HA A 15 GLN HGy 1.0 . 3.39 662 620 A 15 GLN HA A 14 THR HB 1.0 . 4.32 663 621 A 24 TRP HE3 A 24 TRP HA 1.0 . 4.27 664 622 A 30 GLU HA A 30 GLU HGx 1.0 . 3.40 665 622 A 30 GLU HA A 30 GLU HGy 1.0 . 3.40 666 623 A 30 GLU HA A 31 VAL HB 1.0 . 5.25 667 624 A 69 PHE HD% A 69 PHE HA 1.0 . 3.94 668 625 A 74 TRP HA A 69 PHE HA 1.0 . 4.40 669 626 A 66 TYR HD% A 66 TYR HA 1.0 . 4.63 670 627 A 35 GLY HAy A 66 TYR HA 1.0 . 4.32 671 628 A 46 LEU HD2% A 68 PHE HA 1.0 . 4.94 672 629 A 75 VAL HGy% A 68 PHE HA 1.0 . 5.22 673 630 A 98 LYS HA A 61 GLU HBx 1.0 . 4.42 674 630 A 98 LYS HA A 61 GLU HBy 1.0 . 4.42 675 631 A 98 LYS HA A 98 LYS HDx 1.0 . 3.91 676 631 A 98 LYS HA A 98 LYS HDy 1.0 . 3.91 677 632 A 96 VAL HB A 61 GLU HA 1.0 . 3.54 678 633 A 25 SER HA A 52 ASP HBx 1.0 . 4.49 679 634 A 45 PRO HDx A 44 ILE HA 1.0 . 3.93 680 635 A 94 ILE HA A 94 ILE HD1% 1.0 . 3.59 681 636 A 94 ILE HA A 94 ILE HG1y 1.0 . 3.75 682 637 A 22 ILE HA A 22 ILE HG1y 1.0 . 3.76 683 638 A 22 ILE HD1% A 22 ILE HA 1.0 . 3.91 684 639 A 46 LEU HG A 54 VAL HA 1.0 . 4.82 685 640 A 90 ILE HA A 90 ILE HG1x 1.0 . 4.14 686 641 A 90 ILE HA A 90 ILE HG1y 1.0 . 4.14 687 642 A 56 ILE HG1y A 56 ILE HA 1.0 . 4.14 688 643 A 56 ILE HD1% A 56 ILE HA 1.0 . 3.57 689 644 A 56 ILE HG1x A 56 ILE HA 1.0 . 4.04 690 645 A 70 VAL HGy% A 31 VAL HA 1.0 . 4.23 691 646 A 84 THR HA A 90 ILE HA 1.0 . 3.49 692 647 A 14 THR HA A 14 THR HG2% 1.0 . 3.32 693 648 A 20 THR HA A 21 VAL HGx% 1.0 . 4.07 694 649 A 19 PRO HA A 58 ASP HBx 1.0 . 4.52 695 649 A 58 ASP HBy A 19 PRO HA 1.0 . 4.52 696 650 A 56 ILE HG2% A 19 PRO HA 1.0 . 4.72 697 651 A 78 PRO HA A 82 VAL HGx% 1.0 . 4.22 698 652 A 39 ASN HBx A 41 SER HBx 1.0 . 4.32 699 652 A 39 ASN HBx A 41 SER HBy 1.0 . 4.32 700 653 A 42 THR HG2% A 41 SER HBx 1.0 . 4.06 701 653 A 42 THR HG2% A 41 SER HBy 1.0 . 4.06 702 654 A 39 ASN HBy A 41 SER HBx 1.0 . 4.42 703 654 A 41 SER HBy A 39 ASN HBy 1.0 . 4.42 704 655 A 14 THR HB A 15 GLN HGx 1.0 . 5.50 705 655 A 15 GLN HGy A 14 THR HB 1.0 . 5.50 706 656 A 32 PHE HBy A 43 LYS HBy 1.0 . 5.07 707 656 A 32 PHE HBx A 43 LYS HBy 1.0 . 5.07 708 657 A 43 LYS HBx A 32 PHE HBx 1.0 . 5.07 709 657 A 32 PHE HBy A 43 LYS HBx 1.0 . 5.07 710 658 A 53 PHE HE% A 27 GLY HAx 1.0 . 5.36 711 659 A 43 LYS HA A 43 LYS HDy 1.0 . 5.43 712 660 A 43 LYS HA A 43 LYS HDx 1.0 . 5.43 713 661 A 93 LEU HD1% A 95 HIS HBy 1.0 . 5.50 714 662 A 93 LEU HD1% A 95 HIS HBx 1.0 . 5.50 715 663 A 95 HIS HBx A 63 GLU HBx 1.0 . 5.41 716 663 A 63 GLU HBy A 95 HIS HBx 1.0 . 5.41 717 664 A 95 HIS HBy A 63 GLU HBx 1.0 . 4.84 718 664 A 63 GLU HBy A 95 HIS HBy 1.0 . 4.84 719 665 A 94 ILE HA A 95 HIS HBx 1.0 . 5.50 720 666 A 95 HIS HBy A 63 GLU HA 1.0 . 4.89 721 667 A 98 LYS HA A 61 GLU HGx 1.0 . 4.64 722 668 A 98 LYS HA A 61 GLU HGy 1.0 . 4.64 723 669 A 98 LYS HA A 97 LYS HA 1.0 . 5.20 724 670 A 90 ILE HG2% A 84 THR HA 1.0 . 4.44 725 671 A 92 ASN HA A 83 VAL HGy% 1.0 . 4.51 726 672 A 85 SER HA A 86 GLN HGx 1.0 . 4.43 727 672 A 86 GLN HGy A 85 SER HA 1.0 . 4.43 728 673 A 86 GLN HA A 85 SER HA 1.0 . 4.36 729 674 A 82 VAL HA A 76 HIS HD2 1.0 . 5.50 730 675 A 98 LYS HA A 98 LYS HEx 1.0 . 5.40 731 675 A 98 LYS HA A 98 LYS HEy 1.0 . 5.40 732 676 A 101 PHE HBx A 98 LYS HA 1.0 . 5.50 733 677 A 82 VAL HA A 83 VAL HA 1.0 . 5.17 734 678 A 37 PHE HD% A 38 ASN HBx 1.0 . 4.71 735 679 A 50 HIS HA A 50 HIS HD2 1.0 . 4.76 736 680 A 67 LYS HA A 66 TYR HA 1.0 . 4.91 737 681 A 66 TYR HD% A 67 LYS HA 1.0 . 4.94 738 682 A 68 PHE HE% A 67 LYS HA 1.0 . 5.50 739 683 A 32 PHE HE% A 30 GLU HGx 1.0 . 4.80 740 683 A 32 PHE HE% A 30 GLU HGy 1.0 . 4.80 741 684 A 22 ILE HD1% A 94 ILE HG1x 1.0 . 5.26 742 685 A 17 ALA HA A 60 PRO HBy 1.0 . 5.17 743 686 A 17 ALA HB% A 18 ARG HA 1.0 . 5.01 744 687 A 17 ALA HB% A 58 ASP HA 1.0 . 5.31 745 688 A 59 LEU HD2% A 20 THR HB 1.0 . 4.89 746 689 A 22 ILE HD1% A 20 THR HB 1.0 . 4.83 747 690 A 94 ILE HD1% A 20 THR HB 1.0 . 4.50 748 691 A 20 THR HB A 57 LEU HBy 1.0 . 5.45 749 692 A 20 THR HB A 57 LEU HG 1.0 . 5.50 750 693 A 56 ILE HG1x A 21 VAL HA 1.0 . 4.65 751 694 A 94 ILE HB A 22 ILE HD1% 1.0 . 4.66 752 695 A 22 ILE HG2% A 23 ARG HA 1.0 . 4.65 753 696 A 68 PHE HD% A 22 ILE HG2% 1.0 . 4.61 754 697 A 25 SER HA A 52 ASP HBy 1.0 . 4.58 755 698 A 53 PHE HE% A 48 LYS HEy 1.0 . 4.51 756 699 A 84 THR HG2% A 89 THR HA 1.0 . 4.60 757 700 A 70 VAL HA A 31 VAL HGx% 1.0 . 4.08 758 701 A 31 VAL HGx% A 53 PHE HBy 1.0 . 4.16 759 702 A 31 VAL HGx% A 46 LEU HBy 1.0 . 4.43 760 703 A 33 ILE HB A 55 ALA HB% 1.0 . 4.75 761 704 A 66 TYR HD% A 33 ILE HG1y 1.0 . 5.22 762 705 A 48 LYS HGx A 49 SER HA 1.0 . 4.91 763 706 A 45 PRO HGy A 44 ILE HA 1.0 . 4.63 764 707 A 29 LYS HA A 30 GLU HGx 1.0 . 4.87 765 707 A 29 LYS HA A 30 GLU HGy 1.0 . 4.87 766 708 A 57 LEU HD2% A 44 ILE HB 1.0 . 4.85 767 709 A 44 ILE HD1% A 34 SER HA 1.0 . 4.42 768 710 A 59 LEU HD2% A 44 ILE HD1% 1.0 . 5.50 769 711 A 94 ILE HD1% A 59 LEU HD2% 1.0 . 5.38 770 712 A 94 ILE HD1% A 22 ILE HA 1.0 . 4.52 771 713 A 94 ILE HG2% A 59 LEU HD2% 1.0 . 4.49 772 714 A 45 PRO HA A 32 PHE HBx 1.0 . 4.80 773 714 A 45 PRO HA A 32 PHE HBy 1.0 . 4.80 774 715 A 44 ILE HA A 45 PRO HGx 1.0 . 4.77 775 716 A 46 LEU HG A 55 ALA HA 1.0 . 4.69 776 717 A 53 PHE HE% A 48 LYS HBx 1.0 . 4.94 777 718 A 80 GLU HA A 81 PRO HGx 1.0 . 4.62 778 719 A 54 VAL HA A 23 ARG HGy 1.0 . 4.98 779 720 A 54 VAL HA A 23 ARG HGx 1.0 . 5.26 780 721 A 46 LEU HA A 55 ALA HA 1.0 . 4.75 781 722 A 56 ILE HD1% A 21 VAL HB 1.0 . 3.91 782 723 A 56 ILE HD1% A 56 ILE HG2% 1.0 . 3.24 783 724 A 59 LEU HD1% A 57 LEU HBx 1.0 . 4.91 784 725 A 59 LEU HD1% A 57 LEU HBy 1.0 . 4.92 785 726 A 57 LEU HD1% A 22 ILE HB 1.0 . 4.67 786 727 A 59 LEU HD1% A 20 THR HA 1.0 . 5.36 787 728 A 59 LEU HD1% A 96 VAL HA 1.0 . 5.07 788 729 A 59 LEU HD1% A 60 PRO HDx 1.0 . 5.25 789 730 A 59 LEU HD1% A 60 PRO HDy 1.0 . 5.25 790 731 A 94 ILE HB A 59 LEU HD1% 1.0 . 5.22 791 732 A 59 LEU HD1% A 96 VAL HB 1.0 . 5.04 792 733 A 57 LEU HD2% A 59 LEU HG 1.0 . 5.50 793 734 A 57 LEU HBx A 59 LEU HG 1.0 . 4.88 794 735 A 57 LEU HD1% A 59 LEU HG 1.0 . 4.99 795 736 A 20 THR HB A 59 LEU HG 1.0 . 5.06 796 737 A 96 VAL HGx% A 19 PRO HDx 1.0 . 5.50 797 738 A 61 GLU HA A 96 VAL HA 1.0 . 4.84 798 739 A 63 GLU HA A 95 HIS HBx 1.0 . 5.12 799 740 A 33 ILE HG1x A 68 PHE HA 1.0 . 4.98 800 741 A 33 ILE HB A 68 PHE HA 1.0 . 4.98 801 742 A 70 VAL HGy% A 74 TRP HA 1.0 . 5.50 802 743 A 70 VAL HGy% A 69 PHE HA 1.0 . 5.23 803 744 A 59 LEU HD2% A 57 LEU HA 1.0 . 4.92 804 745 A 59 LEU HD2% A 58 ASP HA 1.0 . 5.23 805 746 A 67 LYS HA A 76 HIS HA 1.0 . 5.12 806 747 A 75 VAL HGx% A 76 HIS HA 1.0 . 5.50 807 748 A 93 LEU HBx A 83 VAL HB 1.0 . 4.61 808 749 A 83 VAL HGx% A 91 ASN HBy 1.0 . 4.72 809 750 A 23 ARG HGx A 25 SER HBy 1.0 . 5.35 810 751 A 23 ARG HGx A 25 SER HBx 1.0 . 5.35 811 752 A 27 GLY H A 28 GLY H 1.0 . 3.41 812 753 A 27 GLY HAy A 28 GLY H 1.0 . 2.92 813 754 A 31 VAL HGy% A 28 GLY H 1.0 . 4.33 814 755 A 28 GLY H A 29 LYS H 1.0 . 4.57 815 756 A 28 GLY HAy A 28 GLY H 1.0 . 2.95 816 757 A 70 VAL HGx% A 28 GLY H 1.0 . 3.76 817 758 A 28 GLY HAx A 28 GLY H 1.0 . 2.77 818 759 A 89 THR HG2% A 88 GLY H 1.0 . 3.95 819 760 A 84 THR HG2% A 88 GLY H 1.0 . 3.91 820 761 A 40 TRP HA A 35 GLY H 1.0 . 4.28 821 762 A 76 HIS HD2 A 92 ASN HD2x 1.0 . 4.97 822 763 A 67 LYS HA A 92 ASN HD2x 1.0 . 5.34 823 764 A 82 VAL HB A 92 ASN HD2y 1.0 . 5.28 824 765 A 68 PHE HE% A 92 ASN HD2y 1.0 . 5.38 825 766 A 92 ASN HA A 92 ASN HD2y 1.0 . 3.86 826 767 A 82 VAL HGx% A 92 ASN HD2x 1.0 . 3.79 827 768 A 82 VAL HB A 92 ASN HD2x 1.0 . 5.32 828 769 A 76 HIS HD2 A 92 ASN HD2y 1.0 . 4.76 829 770 A 82 VAL HA A 92 ASN HD2x 1.0 . 4.52 830 771 A 92 ASN HA A 92 ASN HD2x 1.0 . 4.07 831 772 A 92 ASN HD2y A 83 VAL H 1.0 . 5.50 832 773 A 92 ASN HD2y A 82 VAL HGx% 1.0 . 3.77 833 774 A 87 LEU H A 89 THR H 1.0 . 3.66 834 775 A 84 THR HA A 89 THR H 1.0 . 4.79 835 776 A 89 THR HG2% A 89 THR H 1.0 . 3.17 836 777 A 89 THR H A 85 SER HBy 1.0 . 3.98 837 778 A 84 THR HG2% A 89 THR H 1.0 . 4.03 838 779 A 89 THR H A 90 ILE H 1.0 . 4.55 839 780 A 89 THR H A 88 GLY HAx 1.0 . 3.51 840 781 A 88 GLY H A 89 THR H 1.0 . 2.94 841 782 A 89 THR H A 88 GLY HAy 1.0 . 3.51 842 783 A 89 THR H A 85 SER HBx 1.0 . 3.98 843 784 A 26 GLU HBy A 27 GLY H 1.0 . 3.70 844 785 A 53 PHE HE% A 27 GLY H 1.0 . 4.04 845 786 A 53 PHE HD% A 27 GLY H 1.0 . 4.25 846 787 A 27 GLY HAy A 27 GLY H 1.0 . 2.82 847 788 A 25 SER HA A 27 GLY H 1.0 . 4.21 848 789 A 26 GLU HBx A 27 GLY H 1.0 . 3.80 849 790 A 24 TRP HD1 A 27 GLY H 1.0 . 4.37 850 791 A 42 THR H A 38 ASN HBx 1.0 . 5.50 851 792 A 42 THR H A 40 TRP H 1.0 . 5.24 852 793 A 42 THR H A 38 ASN HBy 1.0 . 5.50 853 794 A 39 ASN HBy A 42 THR H 1.0 . 5.50 854 795 A 42 THR H A 38 ASN HD2x 1.0 . 3.82 855 796 A 44 ILE HD1% A 42 THR H 1.0 . 5.40 856 797 A 42 THR H A 41 SER HBx 1.0 . 3.58 857 797 A 41 SER HBy A 42 THR H 1.0 . 3.58 858 798 A 42 THR H A 41 SER H 1.0 . 3.39 859 799 A 42 THR HG2% A 42 THR H 1.0 . 3.36 860 800 A 42 THR H A 38 ASN HD2y 1.0 . 3.82 861 801 A 95 HIS HA A 62 GLY H 1.0 . 5.11 862 802 A 96 VAL HA A 62 GLY H 1.0 . 4.43 863 803 A 62 GLY H A 63 GLU H 1.0 . 4.23 864 804 A 62 GLY H A 61 GLU HBx 1.0 . 3.90 865 804 A 61 GLU HBy A 62 GLY H 1.0 . 3.90 866 805 A 61 GLU HA A 62 GLY H 1.0 . 2.78 867 806 A 96 VAL HGy% A 62 GLY H 1.0 . 3.85 868 807 A 96 VAL HB A 62 GLY H 1.0 . 3.05 869 808 A 96 VAL HGx% A 62 GLY H 1.0 . 3.50 870 809 A 97 LYS HA A 62 GLY H 1.0 . 4.36 871 810 A 73 GLN HBy A 73 GLN HE2x 1.0 . 4.91 872 811 A 73 GLN HBy A 73 GLN HE2y 1.0 . 4.91 873 812 A 39 ASN HBx A 39 ASN HD2x 1.0 . 3.99 874 813 A 39 ASN HA A 39 ASN HD2x 1.0 . 4.54 875 814 A 39 ASN HBy A 39 ASN HD2y 1.0 . 3.91 876 815 A 39 ASN HBy A 39 ASN HD2x 1.0 . 3.91 877 816 A 39 ASN HA A 39 ASN HD2y 1.0 . 4.54 878 817 A 39 ASN HBx A 39 ASN HD2y 1.0 . 3.99 879 818 A 65 GLN HE2x A 92 ASN H 1.0 . 5.18 880 819 A 65 GLN HE2x A 65 GLN HBx 1.0 . 4.82 881 820 A 65 GLN HA A 65 GLN HE2x 1.0 . 5.10 882 821 A 65 GLN HE2x A 65 GLN HBy 1.0 . 3.69 883 822 A 65 GLN HE2x A 83 VAL HGx% 1.0 . 4.32 884 823 A 65 GLN HE2x A 93 LEU HD1% 1.0 . 4.79 885 824 A 65 GLN HBx A 65 GLN HE2y 1.0 . 5.06 886 825 A 83 VAL HGy% A 65 GLN HE2y 1.0 . 3.87 887 826 A 65 GLN HE2y A 83 VAL HGx% 1.0 . 3.94 888 827 A 65 GLN HBy A 65 GLN HE2y 1.0 . 4.46 889 828 A 86 GLN HA A 86 GLN HE2x 1.0 . 4.89 890 829 A 86 GLN HA A 86 GLN HE2y 1.0 . 4.89 891 830 A 65 GLN HA A 65 GLN HE2y 1.0 . 5.22 892 831 A 86 GLN HE2x A 86 GLN HBx 1.0 . 5.50 893 832 A 86 GLN HE2x A 86 GLN HBy 1.0 . 5.50 894 833 A 86 GLN HE2x A 86 GLN HGx 1.0 . 4.02 895 833 A 86 GLN HGy A 86 GLN HE2x 1.0 . 4.02 896 834 A 86 GLN HE2y A 86 GLN HBx 1.0 . 5.50 897 835 A 86 GLN HE2y A 86 GLN HGx 1.0 . 4.02 898 835 A 86 GLN HGy A 86 GLN HE2y 1.0 . 4.02 899 836 A 86 GLN HE2y A 86 GLN HBy 1.0 . 5.50 900 837 A 51 ASN HA A 51 ASN HD2x 1.0 . 5.00 901 838 A 51 ASN HA A 51 ASN HD2y 1.0 . 5.00 902 839 A 34 SER HA A 40 TRP H 1.0 . 5.18 903 840 A 35 GLY HAy A 40 TRP H 1.0 . 5.24 904 841 A 39 ASN HA A 40 TRP H 1.0 . 3.25 905 842 A 40 TRP H A 41 SER HBx 1.0 . 4.69 906 842 A 41 SER HBy A 40 TRP H 1.0 . 4.69 907 843 A 40 TRP H A 39 ASN H 1.0 . 3.31 908 844 A 39 ASN HBx A 40 TRP H 1.0 . 4.52 909 845 A 35 GLY H A 40 TRP H 1.0 . 3.69 910 846 A 36 SER HA A 40 TRP H 1.0 . 3.80 911 847 A 38 ASN HA A 40 TRP H 1.0 . 4.53 912 848 A 40 TRP H A 41 SER H 1.0 . 3.48 913 849 A 40 TRP HD1 A 40 TRP H 1.0 . 3.90 914 850 A 83 VAL H A 82 VAL H 1.0 . 4.71 915 851 A 82 VAL H A 81 PRO HDx 1.0 . 5.10 916 851 A 81 PRO HDy A 82 VAL H 1.0 . 5.10 917 852 A 81 PRO HBy A 82 VAL H 1.0 . 3.48 918 853 A 82 VAL HGy% A 82 VAL H 1.0 . 2.54 919 854 A 81 PRO HGy A 82 VAL H 1.0 . 4.95 920 855 A 81 PRO HBx A 82 VAL H 1.0 . 4.05 921 856 A 82 VAL HB A 82 VAL H 1.0 . 3.83 922 857 A 93 LEU HBy A 82 VAL H 1.0 . 5.50 923 858 A 92 ASN HA A 82 VAL H 1.0 . 5.14 924 859 A 81 PRO HA A 82 VAL H 1.0 . 2.50 925 860 A 90 ILE HG2% A 82 VAL H 1.0 . 5.18 926 861 A 65 GLN HBx A 91 ASN HD2x 1.0 . 5.50 927 862 A 91 ASN HA A 91 ASN HD2x 1.0 . 5.26 928 863 A 40 TRP HZ2 A 91 ASN HD2x 1.0 . 5.01 929 864 A 13 PRO HA A 14 THR H 1.0 . 2.78 930 865 A 14 THR H A 13 PRO HBy 1.0 . 3.96 931 866 A 14 THR H A 13 PRO HBx 1.0 . 3.96 932 867 A 14 THR HB A 14 THR H 1.0 . 3.76 933 868 A 14 THR HG2% A 14 THR H 1.0 . 3.63 934 869 A 37 PHE HBx A 36 SER H 1.0 . 5.04 935 870 A 37 PHE HE% A 36 SER H 1.0 . 4.72 936 871 A 65 GLN HBy A 36 SER H 1.0 . 4.25 937 872 A 65 GLN HBx A 36 SER H 1.0 . 4.18 938 873 A 36 SER H A 36 SER HBx 1.0 . 3.67 939 874 A 64 HIS HA A 36 SER H 1.0 . 5.38 940 875 A 35 GLY HAx A 36 SER H 1.0 . 3.23 941 876 A 35 GLY HAy A 36 SER H 1.0 . 3.40 942 877 A 36 SER H A 36 SER HBy 1.0 . 3.67 943 878 A 40 TRP HZ2 A 36 SER H 1.0 . 3.88 944 879 A 37 PHE HA A 36 SER H 1.0 . 5.34 945 880 A 36 SER H A 66 TYR HBx 1.0 . 4.74 946 880 A 66 TYR HBy A 36 SER H 1.0 . 4.74 947 881 A 37 PHE HD% A 36 SER H 1.0 . 3.93 948 882 A 66 TYR HA A 36 SER H 1.0 . 4.13 949 883 A 83 VAL HGx% A 91 ASN HD2x 1.0 . 5.50 950 884 A 41 SER H A 41 SER HBx 1.0 . 3.53 951 884 A 41 SER HBy A 41 SER H 1.0 . 3.53 952 885 A 39 ASN HBy A 41 SER H 1.0 . 4.56 953 886 A 93 LEU H A 92 ASN H 1.0 . 4.46 954 887 A 92 ASN H A 91 ASN HBx 1.0 . 3.57 955 888 A 91 ASN HA A 92 ASN H 1.0 . 3.12 956 889 A 92 ASN H A 91 ASN HBy 1.0 . 3.57 957 890 A 92 ASN HBy A 92 ASN H 1.0 . 3.41 958 891 A 92 ASN HBx A 92 ASN H 1.0 . 3.97 959 892 A 92 ASN H A 91 ASN H 1.0 . 4.54 960 893 A 83 VAL HGy% A 92 ASN H 1.0 . 4.26 961 894 A 10 SER H A 10 SER HBx 1.0 . 4.06 962 894 A 10 SER H A 10 SER HBy 1.0 . 4.06 963 895 A 10 SER H A 9 ASP HBx 1.0 . 4.92 964 895 A 10 SER H A 9 ASP HBy 1.0 . 4.92 965 896 A 76 HIS HD2 A 79 SER H 1.0 . 5.50 966 897 A 80 GLU HA A 79 SER H 1.0 . 5.36 967 898 A 78 PRO HDx A 79 SER H 1.0 . 3.16 968 899 A 79 SER H A 79 SER HBx 1.0 . 3.49 969 900 A 79 SER H A 79 SER HBy 1.0 . 3.49 970 901 A 79 SER H A 78 PRO HGx 1.0 . 4.15 971 902 A 77 ASP HA A 79 SER H 1.0 . 3.90 972 903 A 79 SER H A 78 PRO HGy 1.0 . 4.15 973 904 A 79 SER H A 78 PRO HBy 1.0 . 3.84 974 905 A 79 SER H A 77 ASP HBx 1.0 . 4.95 975 906 A 78 PRO HBx A 79 SER H 1.0 . 4.42 976 907 A 79 SER H A 77 ASP HBy 1.0 . 4.95 977 908 A 66 TYR H A 67 LYS H 1.0 . 4.37 978 909 A 40 TRP HZ3 A 66 TYR H 1.0 . 5.50 979 910 A 94 ILE HG2% A 66 TYR H 1.0 . 4.40 980 911 A 40 TRP HZ2 A 66 TYR H 1.0 . 4.59 981 912 A 91 ASN HD2x A 66 TYR H 1.0 . 5.35 982 913 A 66 TYR H A 94 ILE H 1.0 . 4.49 983 914 A 66 TYR H A 66 TYR HBx 1.0 . 3.97 984 914 A 66 TYR HBy A 66 TYR H 1.0 . 3.97 985 915 A 92 ASN HBy A 66 TYR H 1.0 . 4.42 986 916 A 93 LEU HA A 66 TYR H 1.0 . 4.02 987 917 A 65 GLN HBy A 66 TYR H 1.0 . 3.23 988 918 A 66 TYR HD% A 66 TYR H 1.0 . 3.46 989 919 A 92 ASN H A 66 TYR H 1.0 . 3.51 990 920 A 65 GLN HA A 66 TYR H 1.0 . 2.98 991 921 A 66 TYR HE% A 66 TYR H 1.0 . 4.76 992 922 A 65 GLN HBx A 66 TYR H 1.0 . 4.16 993 923 A 93 LEU HD1% A 66 TYR H 1.0 . 4.57 994 924 A 99 SER H A 99 SER HBx 1.0 . 3.67 995 925 A 99 SER H A 99 SER HBy 1.0 . 3.67 996 926 A 99 SER H A 98 LYS H 1.0 . 4.55 997 927 A 98 LYS HA A 99 SER H 1.0 . 2.82 998 928 A 99 SER H A 98 LYS HGx 1.0 . 5.27 999 928 A 98 LYS HGy A 99 SER H 1.0 . 5.27 1000 929 A 32 PHE HD% A 33 ILE H 1.0 . 4.51 1001 930 A 33 ILE HD1% A 33 ILE H 1.0 . 5.09 1002 931 A 33 ILE H A 34 SER H 1.0 . 4.88 1003 932 A 33 ILE H A 44 ILE H 1.0 . 4.13 1004 933 A 46 LEU HD1% A 33 ILE H 1.0 . 3.62 1005 934 A 44 ILE HB A 33 ILE H 1.0 . 4.26 1006 935 A 32 PHE HA A 33 ILE H 1.0 . 3.46 1007 936 A 33 ILE HB A 33 ILE H 1.0 . 4.19 1008 937 A 33 ILE H A 32 PHE HBx 1.0 . 3.64 1009 937 A 32 PHE HBy A 33 ILE H 1.0 . 3.64 1010 938 A 33 ILE HG1x A 33 ILE H 1.0 . 4.95 1011 939 A 33 ILE HG2% A 33 ILE H 1.0 . 3.31 1012 940 A 33 ILE H A 46 LEU H 1.0 . 4.76 1013 941 A 45 PRO HA A 33 ILE H 1.0 . 4.44 1014 942 A 33 ILE HD1% A 34 SER H 1.0 . 4.21 1015 943 A 33 ILE HA A 34 SER H 1.0 . 3.11 1016 944 A 33 ILE HG1y A 34 SER H 1.0 . 3.51 1017 945 A 33 ILE HB A 34 SER H 1.0 . 4.20 1018 946 A 33 ILE HG1x A 34 SER H 1.0 . 3.54 1019 947 A 66 TYR HA A 34 SER H 1.0 . 4.52 1020 948 A 89 THR HG2% A 87 LEU H 1.0 . 4.29 1021 949 A 87 LEU H A 87 LEU HD1% 1.0 . 4.34 1022 950 A 87 LEU HG A 87 LEU H 1.0 . 4.56 1023 951 A 87 LEU H A 86 GLN HBy 1.0 . 4.21 1024 952 A 87 LEU H A 86 GLN HBx 1.0 . 4.21 1025 953 A 87 LEU H A 87 LEU HBy 1.0 . 3.75 1026 954 A 87 LEU H A 85 SER HBx 1.0 . 3.81 1027 955 A 87 LEU H A 87 LEU HBx 1.0 . 3.75 1028 956 A 87 LEU H A 86 GLN HGx 1.0 . 4.50 1029 956 A 86 GLN HGy A 87 LEU H 1.0 . 4.50 1030 957 A 87 LEU H A 85 SER HBy 1.0 . 3.81 1031 958 A 87 LEU H A 86 GLN H 1.0 . 4.59 1032 959 A 86 GLN HA A 87 LEU H 1.0 . 3.46 1033 960 A 87 LEU H A 87 LEU HD2% 1.0 . 4.34 1034 961 A 85 SER HA A 87 LEU H 1.0 . 4.18 1035 962 A 88 GLY H A 87 LEU H 1.0 . 2.95 1036 963 A 36 SER HA A 39 ASN H 1.0 . 3.71 1037 964 A 37 PHE HD% A 39 ASN H 1.0 . 5.12 1038 965 A 39 ASN HBx A 39 ASN H 1.0 . 3.56 1039 966 A 40 TRP HA A 39 ASN H 1.0 . 5.07 1040 967 A 37 PHE HA A 39 ASN H 1.0 . 4.16 1041 968 A 39 ASN HA A 39 ASN H 1.0 . 2.74 1042 969 A 40 TRP HD1 A 39 ASN H 1.0 . 4.18 1043 970 A 70 VAL HGy% A 73 GLN H 1.0 . 5.22 1044 971 A 71 ASP H A 73 GLN H 1.0 . 4.23 1045 972 A 69 PHE HD% A 73 GLN H 1.0 . 4.38 1046 973 A 73 GLN HBy A 73 GLN H 1.0 . 3.20 1047 974 A 75 VAL HGx% A 73 GLN H 1.0 . 5.21 1048 975 A 72 GLY H A 73 GLN H 1.0 . 3.16 1049 976 A 70 VAL HGx% A 73 GLN H 1.0 . 4.78 1050 977 A 73 GLN H A 71 ASP HA 1.0 . 4.58 1051 978 A 75 VAL HGy% A 73 GLN H 1.0 . 5.34 1052 979 A 70 VAL HA A 73 GLN H 1.0 . 4.49 1053 980 A 70 VAL HB A 73 GLN H 1.0 . 4.63 1054 981 A 39 ASN HBy A 39 ASN H 1.0 . 4.14 1055 982 A 83 VAL HGx% A 83 VAL H 1.0 . 3.00 1056 983 A 82 VAL HA A 83 VAL H 1.0 . 2.93 1057 984 A 90 ILE HG2% A 83 VAL H 1.0 . 3.67 1058 985 A 83 VAL HGy% A 83 VAL H 1.0 . 2.95 1059 986 A 82 VAL HB A 83 VAL H 1.0 . 2.93 1060 987 A 92 ASN HA A 83 VAL H 1.0 . 3.69 1061 988 A 53 PHE H A 54 VAL H 1.0 . 4.68 1062 989 A 31 VAL HGx% A 53 PHE H 1.0 . 5.50 1063 990 A 24 TRP HD1 A 53 PHE H 1.0 . 4.36 1064 991 A 53 PHE H A 24 TRP H 1.0 . 3.74 1065 992 A 53 PHE HD% A 53 PHE H 1.0 . 3.46 1066 993 A 53 PHE HBx A 53 PHE H 1.0 . 3.73 1067 994 A 53 PHE HBy A 53 PHE H 1.0 . 3.53 1068 995 A 52 ASP HBx A 53 PHE H 1.0 . 3.21 1069 996 A 52 ASP HBy A 53 PHE H 1.0 . 3.21 1070 997 A 52 ASP HA A 53 PHE H 1.0 . 2.97 1071 998 A 25 SER HA A 53 PHE H 1.0 . 4.24 1072 999 A 53 PHE HBx A 54 VAL H 1.0 . 3.86 1073 1000 A 53 PHE HBy A 54 VAL H 1.0 . 4.19 1074 1001 A 98 LYS HA A 101 PHE H 1.0 . 4.22 1075 1002 A 101 PHE H A 101 PHE HBy 1.0 . 3.14 1076 1003 A 46 LEU HBx A 54 VAL H 1.0 . 4.00 1077 1004 A 53 PHE HD% A 54 VAL H 1.0 . 4.18 1078 1005 A 47 ILE HB A 54 VAL H 1.0 . 4.29 1079 1006 A 48 LYS HA A 54 VAL H 1.0 . 3.91 1080 1007 A 53 PHE HA A 54 VAL H 1.0 . 2.96 1081 1008 A 101 PHE H A 100 ASP H 1.0 . 3.00 1082 1009 A 101 PHE H A 100 ASP HBx 1.0 . 3.29 1083 1009 A 101 PHE H A 100 ASP HBy 1.0 . 3.29 1084 1010 A 54 VAL H A 24 TRP H 1.0 . 4.94 1085 1011 A 54 VAL H A 48 LYS H 1.0 . 4.73 1086 1012 A 101 PHE HBx A 101 PHE H 1.0 . 3.00 1087 1013 A 46 LEU HA A 54 VAL H 1.0 . 4.78 1088 1014 A 66 TYR HA A 37 PHE H 1.0 . 5.36 1089 1015 A 64 HIS HA A 37 PHE H 1.0 . 5.50 1090 1016 A 37 PHE H A 36 SER HBy 1.0 . 4.30 1091 1017 A 94 ILE HG2% A 37 PHE H 1.0 . 5.50 1092 1018 A 39 ASN H A 37 PHE H 1.0 . 4.26 1093 1019 A 35 GLY HAy A 37 PHE H 1.0 . 4.43 1094 1020 A 35 GLY HAx A 37 PHE H 1.0 . 3.71 1095 1021 A 59 LEU HD2% A 37 PHE H 1.0 . 4.57 1096 1022 A 40 TRP H A 37 PHE H 1.0 . 4.80 1097 1023 A 37 PHE H A 36 SER HBx 1.0 . 4.30 1098 1024 A 37 PHE HD% A 37 PHE H 1.0 . 3.00 1099 1025 A 36 SER H A 37 PHE H 1.0 . 3.20 1100 1026 A 37 PHE HBy A 37 PHE H 1.0 . 3.74 1101 1027 A 37 PHE HBx A 37 PHE H 1.0 . 3.38 1102 1028 A 59 LEU HD1% A 37 PHE H 1.0 . 5.32 1103 1029 A 35 GLY H A 37 PHE H 1.0 . 4.36 1104 1030 A 37 PHE H A 65 GLN H 1.0 . 4.45 1105 1031 A 63 GLU H A 63 GLU HBx 1.0 . 2.76 1106 1031 A 63 GLU HBy A 63 GLU H 1.0 . 2.76 1107 1032 A 63 GLU H A 62 GLY HAy 1.0 . 3.39 1108 1033 A 62 GLY HAx A 63 GLU H 1.0 . 2.68 1109 1034 A 63 GLU H A 96 VAL H 1.0 . 4.58 1110 1035 A 95 HIS HA A 63 GLU H 1.0 . 4.99 1111 1036 A 62 GLY H A 61 GLU H 1.0 . 4.13 1112 1037 A 52 ASP HBy A 52 ASP H 1.0 . 4.14 1113 1038 A 61 GLU H A 60 PRO HBx 1.0 . 3.38 1114 1039 A 96 VAL HGx% A 61 GLU H 1.0 . 4.21 1115 1040 A 61 GLU H A 61 GLU HBx 1.0 . 2.98 1116 1040 A 61 GLU HBy A 61 GLU H 1.0 . 2.98 1117 1041 A 61 GLU H A 60 PRO HBy 1.0 . 3.38 1118 1042 A 62 GLY HAx A 61 GLU H 1.0 . 4.52 1119 1043 A 52 ASP H A 49 SER H 1.0 . 3.87 1120 1044 A 52 ASP HBx A 52 ASP H 1.0 . 3.28 1121 1045 A 53 PHE H A 52 ASP H 1.0 . 4.36 1122 1046 A 37 PHE HE% A 67 LYS H 1.0 . 4.29 1123 1047 A 33 ILE HG2% A 67 LYS H 1.0 . 5.49 1124 1048 A 67 LYS H A 34 SER H 1.0 . 3.61 1125 1049 A 35 GLY HAx A 67 LYS H 1.0 . 4.40 1126 1050 A 66 TYR HA A 67 LYS H 1.0 . 3.23 1127 1051 A 67 LYS H A 66 TYR HBx 1.0 . 3.24 1128 1051 A 66 TYR HBy A 67 LYS H 1.0 . 3.24 1129 1052 A 33 ILE HA A 67 LYS H 1.0 . 4.18 1130 1053 A 33 ILE HG1x A 67 LYS H 1.0 . 4.21 1131 1054 A 66 TYR HD% A 67 LYS H 1.0 . 3.63 1132 1055 A 35 GLY HAy A 67 LYS H 1.0 . 4.57 1133 1056 A 33 ILE HD1% A 67 LYS H 1.0 . 4.09 1134 1057 A 35 GLY H A 67 LYS H 1.0 . 5.23 1135 1058 A 66 TYR HE% A 67 LYS H 1.0 . 5.18 1136 1059 A 33 ILE HG1y A 67 LYS H 1.0 . 4.17 1137 1060 A 47 ILE HD1% A 47 ILE H 1.0 . 4.64 1138 1061 A 93 LEU H A 92 ASN HD2x 1.0 . 4.40 1139 1062 A 93 LEU H A 83 VAL H 1.0 . 4.23 1140 1063 A 92 ASN HBy A 93 LEU H 1.0 . 3.96 1141 1064 A 93 LEU HBy A 93 LEU H 1.0 . 3.29 1142 1065 A 93 LEU HBx A 93 LEU H 1.0 . 3.41 1143 1066 A 92 ASN HA A 93 LEU H 1.0 . 2.98 1144 1067 A 82 VAL HA A 93 LEU H 1.0 . 3.43 1145 1068 A 93 LEU H A 81 PRO HA 1.0 . 5.35 1146 1069 A 92 ASN HBx A 93 LEU H 1.0 . 3.27 1147 1070 A 93 LEU H A 81 PRO HBy 1.0 . 4.18 1148 1071 A 93 LEU HG A 93 LEU H 1.0 . 4.33 1149 1072 A 93 LEU H A 94 ILE H 1.0 . 4.49 1150 1073 A 93 LEU H A 81 PRO HDx 1.0 . 4.60 1151 1073 A 81 PRO HDy A 93 LEU H 1.0 . 4.60 1152 1074 A 83 VAL HB A 84 THR H 1.0 . 2.93 1153 1075 A 84 THR H A 84 THR HB 1.0 . 3.02 1154 1076 A 83 VAL HA A 84 THR H 1.0 . 2.67 1155 1077 A 84 THR H A 85 SER H 1.0 . 4.26 1156 1078 A 5 ILE H A 5 ILE HG1y 1.0 . 4.83 1157 1079 A 5 ILE H A 5 ILE HG1x 1.0 . 4.83 1158 1080 A 24 TRP HH2 A 76 HIS H 1.0 . 4.79 1159 1081 A 68 PHE HD% A 76 HIS H 1.0 . 5.50 1160 1082 A 83 VAL H A 84 THR H 1.0 . 4.64 1161 1083 A 59 LEU HD2% A 38 ASN H 1.0 . 5.41 1162 1084 A 76 HIS H A 77 ASP H 1.0 . 4.67 1163 1085 A 35 GLY HAy A 38 ASN H 1.0 . 5.03 1164 1086 A 75 VAL HGy% A 76 HIS H 1.0 . 4.05 1165 1087 A 75 VAL HGx% A 76 HIS H 1.0 . 3.82 1166 1088 A 76 HIS HBy A 76 HIS H 1.0 . 3.95 1167 1089 A 75 VAL HB A 76 HIS H 1.0 . 3.09 1168 1090 A 75 VAL HA A 76 HIS H 1.0 . 2.83 1169 1091 A 76 HIS H A 75 VAL H 1.0 . 4.52 1170 1092 A 76 HIS H A 76 HIS HBx 1.0 . 3.68 1171 1093 A 39 ASN HBx A 38 ASN H 1.0 . 5.03 1172 1094 A 37 PHE HE% A 38 ASN H 1.0 . 4.64 1173 1095 A 36 SER H A 38 ASN H 1.0 . 4.31 1174 1096 A 44 ILE HD1% A 38 ASN H 1.0 . 5.50 1175 1097 A 38 ASN H A 38 ASN HBx 1.0 . 3.88 1176 1098 A 37 PHE HD% A 38 ASN H 1.0 . 3.62 1177 1099 A 35 GLY H A 38 ASN H 1.0 . 4.06 1178 1100 A 40 TRP HA A 38 ASN H 1.0 . 4.95 1179 1101 A 40 TRP H A 38 ASN H 1.0 . 3.29 1180 1102 A 36 SER HA A 38 ASN H 1.0 . 3.86 1181 1103 A 38 ASN H A 38 ASN HBy 1.0 . 3.88 1182 1104 A 39 ASN H A 38 ASN H 1.0 . 2.79 1183 1105 A 41 SER H A 38 ASN H 1.0 . 5.20 1184 1106 A 84 THR HG2% A 84 THR H 1.0 . 4.06 1185 1107 A 68 PHE HBy A 68 PHE H 1.0 . 4.08 1186 1108 A 68 PHE HD% A 68 PHE H 1.0 . 3.84 1187 1109 A 68 PHE HE% A 68 PHE H 1.0 . 5.34 1188 1110 A 101 PHE HBx A 103 VAL H 1.0 . 5.07 1189 1111 A 103 VAL H A 102 GLU H 1.0 . 3.14 1190 1112 A 103 VAL H A 103 VAL HB 1.0 . 2.91 1191 1113 A 29 LYS H A 29 LYS HGx 1.0 . 4.06 1192 1114 A 29 LYS H A 29 LYS HGy 1.0 . 4.06 1193 1115 A 70 VAL HGx% A 29 LYS H 1.0 . 3.95 1194 1116 A 29 LYS H A 29 LYS HBx 1.0 . 2.96 1195 1116 A 29 LYS HBy A 29 LYS H 1.0 . 2.96 1196 1117 A 28 GLY HAx A 29 LYS H 1.0 . 3.27 1197 1118 A 28 GLY HAy A 29 LYS H 1.0 . 3.18 1198 1119 A 31 VAL HGy% A 29 LYS H 1.0 . 4.28 1199 1120 A 56 ILE HD1% A 56 ILE H 1.0 . 3.24 1200 1121 A 55 ALA HB% A 56 ILE H 1.0 . 3.34 1201 1122 A 86 GLN H A 86 GLN HGx 1.0 . 5.50 1202 1122 A 86 GLN HGy A 86 GLN H 1.0 . 5.50 1203 1123 A 56 ILE HG2% A 56 ILE H 1.0 . 4.07 1204 1124 A 90 ILE HB A 90 ILE H 1.0 . 2.96 1205 1125 A 90 ILE H A 89 THR HB 1.0 . 3.20 1206 1126 A 90 ILE HG2% A 90 ILE H 1.0 . 3.91 1207 1127 A 90 ILE HD1% A 90 ILE H 1.0 . 3.71 1208 1128 A 89 THR HA A 90 ILE H 1.0 . 2.77 1209 1129 A 84 THR HG2% A 90 ILE H 1.0 . 4.85 1210 1130 A 56 ILE HG1y A 56 ILE H 1.0 . 3.70 1211 1131 A 56 ILE HB A 56 ILE H 1.0 . 3.34 1212 1132 A 56 ILE HG1x A 56 ILE H 1.0 . 4.39 1213 1133 A 78 PRO HDx A 77 ASP H 1.0 . 4.98 1214 1134 A 77 ASP H A 76 HIS HBx 1.0 . 4.05 1215 1135 A 92 ASN HBx A 77 ASP H 1.0 . 4.76 1216 1136 A 24 TRP HZ3 A 77 ASP H 1.0 . 4.34 1217 1137 A 78 PRO HDy A 77 ASP H 1.0 . 4.86 1218 1138 A 92 ASN HD2y A 77 ASP H 1.0 . 4.10 1219 1139 A 68 PHE HE% A 77 ASP H 1.0 . 4.22 1220 1140 A 76 HIS HD2 A 77 ASP H 1.0 . 4.20 1221 1141 A 76 HIS HA A 77 ASP H 1.0 . 3.24 1222 1142 A 76 HIS HBy A 77 ASP H 1.0 . 3.37 1223 1143 A 68 PHE HD% A 77 ASP H 1.0 . 4.12 1224 1144 A 92 ASN HD2x A 77 ASP H 1.0 . 3.72 1225 1145 A 63 GLU H A 64 HIS H 1.0 . 4.54 1226 1146 A 93 LEU HD1% A 64 HIS H 1.0 . 3.38 1227 1147 A 94 ILE H A 64 HIS H 1.0 . 3.47 1228 1148 A 94 ILE HG2% A 64 HIS H 1.0 . 3.21 1229 1149 A 64 HIS H A 63 GLU HBx 1.0 . 3.74 1230 1149 A 63 GLU HBy A 64 HIS H 1.0 . 3.74 1231 1150 A 95 HIS HA A 64 HIS H 1.0 . 3.49 1232 1151 A 93 LEU HG A 64 HIS H 1.0 . 4.90 1233 1152 A 93 LEU HA A 64 HIS H 1.0 . 5.18 1234 1153 A 64 HIS HBy A 64 HIS H 1.0 . 3.30 1235 1154 A 63 GLU HA A 64 HIS H 1.0 . 3.02 1236 1155 A 64 HIS HD2 A 64 HIS H 1.0 . 3.61 1237 1156 A 63 GLU HGy A 64 HIS H 1.0 . 3.90 1238 1157 A 96 VAL H A 64 HIS H 1.0 . 4.70 1239 1158 A 65 GLN H A 64 HIS H 1.0 . 4.54 1240 1159 A 65 GLN HBx A 65 GLN H 1.0 . 3.59 1241 1160 A 65 GLN HBy A 65 GLN H 1.0 . 3.87 1242 1161 A 65 GLN H A 65 GLN HGx 1.0 . 4.25 1243 1162 A 65 GLN H A 65 GLN HGy 1.0 . 4.25 1244 1163 A 64 HIS HBy A 65 GLN H 1.0 . 3.69 1245 1164 A 66 TYR HA A 65 GLN H 1.0 . 5.50 1246 1165 A 93 LEU HA A 65 GLN H 1.0 . 5.50 1247 1166 A 64 HIS HA A 65 GLN H 1.0 . 3.27 1248 1167 A 36 SER H A 65 GLN H 1.0 . 3.70 1249 1168 A 40 TRP HZ2 A 65 GLN H 1.0 . 4.79 1250 1169 A 20 THR H A 19 PRO HBy 1.0 . 3.99 1251 1170 A 19 PRO HA A 20 THR H 1.0 . 2.85 1252 1171 A 56 ILE HG2% A 20 THR H 1.0 . 3.59 1253 1172 A 20 THR HG2% A 20 THR H 1.0 . 4.08 1254 1173 A 20 THR HB A 20 THR H 1.0 . 3.08 1255 1174 A 20 THR H A 59 LEU H 1.0 . 3.96 1256 1175 A 20 THR H A 19 PRO HBx 1.0 . 3.99 1257 1176 A 59 LEU HD1% A 20 THR H 1.0 . 4.71 1258 1177 A 20 THR H A 21 VAL H 1.0 . 4.39 1259 1178 A 65 GLN HE2x A 65 GLN H 1.0 . 5.30 1260 1179 A 11 VAL H A 10 SER HBx 1.0 . 4.13 1261 1179 A 10 SER HBy A 11 VAL H 1.0 . 4.13 1262 1180 A 94 ILE HG2% A 65 GLN H 1.0 . 4.30 1263 1181 A 10 SER H A 11 VAL H 1.0 . 4.28 1264 1182 A 65 GLN H A 36 SER HBy 1.0 . 4.24 1265 1183 A 93 LEU HD1% A 65 GLN H 1.0 . 4.36 1266 1184 A 11 VAL H A 10 SER HA 1.0 . 3.19 1267 1185 A 28 GLY HAx A 30 GLU H 1.0 . 4.17 1268 1186 A 31 VAL HGy% A 30 GLU H 1.0 . 3.99 1269 1187 A 28 GLY HAy A 30 GLU H 1.0 . 4.73 1270 1188 A 65 GLN H A 36 SER HBx 1.0 . 4.24 1271 1189 A 11 VAL H A 11 VAL HB 1.0 . 3.75 1272 1190 A 29 LYS H A 30 GLU H 1.0 . 2.82 1273 1191 A 30 GLU H A 29 LYS HBx 1.0 . 3.47 1274 1191 A 29 LYS HBy A 30 GLU H 1.0 . 3.47 1275 1192 A 30 GLU H A 30 GLU HGx 1.0 . 3.58 1276 1192 A 30 GLU HGy A 30 GLU H 1.0 . 3.58 1277 1193 A 70 VAL HGx% A 30 GLU H 1.0 . 4.20 1278 1194 A 30 GLU H A 31 VAL H 1.0 . 4.47 1279 1195 A 96 VAL HGx% A 18 ARG H 1.0 . 4.29 1280 1196 A 18 ARG H A 17 ALA H 1.0 . 4.70 1281 1197 A 17 ALA HA A 18 ARG H 1.0 . 2.82 1282 1198 A 101 PHE H A 102 GLU H 1.0 . 3.00 1283 1199 A 102 GLU H A 102 GLU HA 1.0 . 2.94 1284 1200 A 101 PHE HBx A 102 GLU H 1.0 . 3.51 1285 1201 A 101 PHE HBy A 102 GLU H 1.0 . 3.86 1286 1202 A 102 GLU H A 99 SER HA 1.0 . 3.99 1287 1203 A 17 ALA HB% A 18 ARG H 1.0 . 3.61 1288 1204 A 18 ARG H A 18 ARG HBy 1.0 . 3.50 1289 1205 A 102 GLU H A 100 ASP HBx 1.0 . 5.13 1290 1205 A 100 ASP HBy A 102 GLU H 1.0 . 5.13 1291 1206 A 18 ARG H A 18 ARG HBx 1.0 . 3.50 1292 1207 A 15 GLN HA A 16 GLN H 1.0 . 2.78 1293 1208 A 48 LYS HBy A 49 SER H 1.0 . 4.59 1294 1209 A 16 GLN H A 15 GLN HGx 1.0 . 4.42 1295 1209 A 15 GLN HGy A 16 GLN H 1.0 . 4.42 1296 1210 A 16 GLN H A 16 GLN HGx 1.0 . 4.72 1297 1210 A 16 GLN HGy A 16 GLN H 1.0 . 4.72 1298 1211 A 48 LYS HGx A 49 SER H 1.0 . 3.61 1299 1212 A 16 GLN H A 16 GLN HBx 1.0 . 3.25 1300 1213 A 16 GLN H A 16 GLN HBy 1.0 . 3.94 1301 1214 A 49 SER H A 49 SER HBx 1.0 . 3.23 1302 1214 A 49 SER H A 49 SER HBy 1.0 . 3.23 1303 1215 A 48 LYS HGy A 49 SER H 1.0 . 3.57 1304 1216 A 48 LYS HA A 49 SER H 1.0 . 2.88 1305 1217 A 48 LYS HBx A 49 SER H 1.0 . 4.16 1306 1218 A 53 PHE HA A 49 SER H 1.0 . 3.47 1307 1219 A 54 VAL H A 49 SER H 1.0 . 4.19 1308 1220 A 46 LEU HG A 46 LEU H 1.0 . 4.66 1309 1221 A 99 SER H A 100 ASP H 1.0 . 3.37 1310 1222 A 82 VAL HGx% A 80 GLU H 1.0 . 4.87 1311 1223 A 80 GLU H A 77 ASP HBx 1.0 . 4.42 1312 1224 A 80 GLU H A 80 GLU HBy 1.0 . 3.74 1313 1225 A 80 GLU H A 79 SER HA 1.0 . 3.53 1314 1226 A 79 SER H A 80 GLU H 1.0 . 2.74 1315 1227 A 98 LYS HA A 100 ASP H 1.0 . 4.23 1316 1228 A 80 GLU H A 80 GLU HBx 1.0 . 3.74 1317 1229 A 100 ASP H A 99 SER HBx 1.0 . 4.25 1318 1230 A 100 ASP H A 99 SER HBy 1.0 . 4.25 1319 1231 A 100 ASP H A 99 SER HA 1.0 . 3.51 1320 1232 A 100 ASP H A 98 LYS HEx 1.0 . 5.50 1321 1232 A 98 LYS HEy A 100 ASP H 1.0 . 5.50 1322 1233 A 101 PHE HBx A 100 ASP H 1.0 . 5.50 1323 1234 A 100 ASP H A 100 ASP HBx 1.0 . 2.99 1324 1234 A 100 ASP H A 100 ASP HBy 1.0 . 2.99 1325 1235 A 80 GLU H A 77 ASP HBy 1.0 . 4.42 1326 1236 A 78 PRO HDx A 80 GLU H 1.0 . 4.65 1327 1237 A 100 ASP H A 98 LYS HGx 1.0 . 5.38 1328 1237 A 98 LYS HGy A 100 ASP H 1.0 . 5.38 1329 1238 A 32 PHE HE% A 46 LEU H 1.0 . 5.14 1330 1239 A 46 LEU HBx A 46 LEU H 1.0 . 3.55 1331 1240 A 14 THR H A 15 GLN H 1.0 . 4.76 1332 1241 A 15 GLN H A 15 GLN HGx 1.0 . 4.42 1333 1241 A 15 GLN HGy A 15 GLN H 1.0 . 4.42 1334 1242 A 14 THR HG2% A 15 GLN H 1.0 . 4.17 1335 1243 A 14 THR HA A 15 GLN H 1.0 . 2.86 1336 1244 A 46 LEU HD1% A 46 LEU H 1.0 . 3.43 1337 1245 A 31 VAL HGy% A 46 LEU H 1.0 . 5.27 1338 1246 A 46 LEU H A 32 PHE HBx 1.0 . 4.48 1339 1246 A 32 PHE HBy A 46 LEU H 1.0 . 4.48 1340 1247 A 15 GLN H A 15 GLN HBx 1.0 . 4.05 1341 1248 A 32 PHE HD% A 46 LEU H 1.0 . 4.20 1342 1249 A 31 VAL HGx% A 46 LEU H 1.0 . 4.26 1343 1250 A 14 THR HB A 15 GLN H 1.0 . 3.79 1344 1251 A 45 PRO HBy A 46 LEU H 1.0 . 3.86 1345 1252 A 15 GLN H A 15 GLN HBy 1.0 . 4.05 1346 1253 A 45 PRO HA A 46 LEU H 1.0 . 3.01 1347 1254 A 46 LEU HBy A 46 LEU H 1.0 . 3.48 1348 1255 A 32 PHE HA A 46 LEU H 1.0 . 3.49 1349 1256 A 61 GLU HA A 98 LYS H 1.0 . 5.34 1350 1257 A 98 LYS H A 98 LYS HEx 1.0 . 4.72 1351 1257 A 98 LYS HEy A 98 LYS H 1.0 . 4.72 1352 1258 A 96 VAL HGx% A 98 LYS H 1.0 . 4.51 1353 1259 A 98 LYS H A 98 LYS HGx 1.0 . 4.36 1354 1259 A 98 LYS HGy A 98 LYS H 1.0 . 4.36 1355 1260 A 98 LYS H A 61 GLU HBx 1.0 . 4.37 1356 1260 A 61 GLU HBy A 98 LYS H 1.0 . 4.37 1357 1261 A 98 LYS H A 97 LYS HBy 1.0 . 3.27 1358 1262 A 97 LYS HA A 98 LYS H 1.0 . 2.64 1359 1263 A 98 LYS H A 61 GLU HGx 1.0 . 3.95 1360 1264 A 98 LYS H A 61 GLU HGy 1.0 . 3.95 1361 1265 A 70 VAL HGy% A 75 VAL H 1.0 . 4.72 1362 1266 A 69 PHE HA A 75 VAL H 1.0 . 4.39 1363 1267 A 75 VAL HB A 75 VAL H 1.0 . 4.05 1364 1268 A 74 TRP HE3 A 75 VAL H 1.0 . 4.43 1365 1269 A 74 TRP HBy A 75 VAL H 1.0 . 3.98 1366 1270 A 68 PHE HBy A 75 VAL H 1.0 . 4.44 1367 1271 A 75 VAL H A 68 PHE H 1.0 . 4.34 1368 1272 A 73 GLN HBx A 75 VAL H 1.0 . 5.50 1369 1273 A 75 VAL HGy% A 75 VAL H 1.0 . 3.29 1370 1274 A 74 TRP HA A 75 VAL H 1.0 . 3.07 1371 1275 A 75 VAL HGx% A 75 VAL H 1.0 . 3.65 1372 1276 A 75 VAL H A 74 TRP HBx 1.0 . 4.35 1373 1277 A 75 VAL H A 74 TRP H 1.0 . 4.61 1374 1278 A 31 VAL HGx% A 24 TRP H 1.0 . 5.44 1375 1279 A 24 TRP H A 23 ARG H 1.0 . 4.55 1376 1280 A 53 PHE HD% A 24 TRP H 1.0 . 5.16 1377 1281 A 54 VAL HA A 24 TRP H 1.0 . 3.79 1378 1282 A 23 ARG HA A 24 TRP H 1.0 . 2.94 1379 1283 A 24 TRP HBx A 24 TRP H 1.0 . 3.50 1380 1284 A 24 TRP H A 23 ARG HBy 1.0 . 4.22 1381 1285 A 23 ARG HGy A 24 TRP H 1.0 . 3.94 1382 1286 A 24 TRP H A 23 ARG HBx 1.0 . 4.22 1383 1287 A 24 TRP HBy A 24 TRP H 1.0 . 3.60 1384 1288 A 23 ARG HGx A 24 TRP H 1.0 . 4.03 1385 1289 A 53 PHE HBy A 24 TRP H 1.0 . 3.97 1386 1290 A 24 TRP H A 25 SER H 1.0 . 4.50 1387 1291 A 25 SER H A 25 SER HBy 1.0 . 3.45 1388 1292 A 25 SER H A 25 SER HBx 1.0 . 3.45 1389 1293 A 24 TRP HA A 25 SER H 1.0 . 2.78 1390 1294 A 24 TRP HBy A 25 SER H 1.0 . 4.18 1391 1295 A 24 TRP HBx A 25 SER H 1.0 . 4.37 1392 1296 A 82 VAL HB A 91 ASN H 1.0 . 4.12 1393 1297 A 82 VAL HGy% A 91 ASN H 1.0 . 4.68 1394 1298 A 90 ILE H A 91 ASN H 1.0 . 4.60 1395 1299 A 90 ILE HD1% A 91 ASN H 1.0 . 3.97 1396 1300 A 91 ASN H A 91 ASN HBy 1.0 . 3.98 1397 1301 A 90 ILE HG2% A 91 ASN H 1.0 . 3.31 1398 1302 A 91 ASN H A 91 ASN HBx 1.0 . 3.98 1399 1303 A 91 ASN H A 85 SER H 1.0 . 4.33 1400 1304 A 90 ILE HA A 91 ASN H 1.0 . 2.86 1401 1305 A 83 VAL HGx% A 91 ASN H 1.0 . 4.75 1402 1306 A 90 ILE HB A 91 ASN H 1.0 . 4.58 1403 1307 A 59 LEU H A 60 PRO HDy 1.0 . 5.11 1404 1308 A 59 LEU H A 58 ASP HBx 1.0 . 3.80 1405 1308 A 58 ASP HBy A 59 LEU H 1.0 . 3.80 1406 1309 A 17 ALA HB% A 59 LEU H 1.0 . 4.12 1407 1310 A 59 LEU HBx A 59 LEU H 1.0 . 3.42 1408 1311 A 59 LEU HBy A 59 LEU H 1.0 . 3.92 1409 1312 A 20 THR HB A 59 LEU H 1.0 . 4.91 1410 1313 A 59 LEU HG A 59 LEU H 1.0 . 3.25 1411 1314 A 58 ASP HA A 59 LEU H 1.0 . 2.95 1412 1315 A 59 LEU HD1% A 59 LEU H 1.0 . 4.11 1413 1316 A 59 LEU HD2% A 59 LEU H 1.0 . 3.63 1414 1317 A 73 GLN H A 74 TRP H 1.0 . 4.68 1415 1318 A 75 VAL HGx% A 74 TRP H 1.0 . 4.34 1416 1319 A 69 PHE HE% A 74 TRP H 1.0 . 4.50 1417 1320 A 73 GLN HBy A 74 TRP H 1.0 . 4.10 1418 1321 A 73 GLN HA A 74 TRP H 1.0 . 2.72 1419 1322 A 74 TRP HBx A 74 TRP H 1.0 . 3.45 1420 1323 A 73 GLN HBx A 74 TRP H 1.0 . 3.66 1421 1324 A 74 TRP H A 74 TRP HD1 1.0 . 3.37 1422 1325 A 74 TRP HBy A 74 TRP H 1.0 . 3.69 1423 1326 A 31 VAL HGx% A 31 VAL H 1.0 . 4.20 1424 1327 A 31 VAL HGy% A 32 PHE H 1.0 . 4.18 1425 1328 A 31 VAL HB A 31 VAL H 1.0 . 3.59 1426 1329 A 31 VAL H A 30 GLU HGx 1.0 . 4.93 1427 1329 A 30 GLU HGy A 31 VAL H 1.0 . 4.93 1428 1330 A 31 VAL HB A 32 PHE H 1.0 . 4.33 1429 1331 A 46 LEU HD2% A 32 PHE H 1.0 . 4.84 1430 1332 A 31 VAL HGy% A 31 VAL H 1.0 . 3.66 1431 1333 A 30 GLU HA A 31 VAL H 1.0 . 2.93 1432 1334 A 32 PHE H A 32 PHE HBx 1.0 . 3.92 1433 1334 A 32 PHE HBy A 32 PHE H 1.0 . 3.92 1434 1335 A 31 VAL HA A 32 PHE H 1.0 . 3.31 1435 1336 A 33 ILE H A 32 PHE H 1.0 . 4.78 1436 1337 A 59 LEU HD2% A 58 ASP H 1.0 . 4.50 1437 1338 A 31 VAL HGx% A 32 PHE H 1.0 . 3.70 1438 1339 A 31 VAL H A 32 PHE H 1.0 . 5.07 1439 1340 A 32 PHE HD% A 32 PHE H 1.0 . 3.92 1440 1341 A 57 LEU HBy A 58 ASP H 1.0 . 3.73 1441 1342 A 57 LEU HD2% A 58 ASP H 1.0 . 3.50 1442 1343 A 57 LEU HBx A 58 ASP H 1.0 . 3.60 1443 1344 A 57 LEU HA A 58 ASP H 1.0 . 2.79 1444 1345 A 58 ASP H A 58 ASP HBx 1.0 . 3.06 1445 1345 A 58 ASP HBy A 58 ASP H 1.0 . 3.06 1446 1346 A 59 LEU H A 58 ASP H 1.0 . 4.22 1447 1347 A 70 VAL HGy% A 32 PHE H 1.0 . 4.47 1448 1348 A 57 LEU HD1% A 58 ASP H 1.0 . 4.66 1449 1349 A 104 PHE H A 104 PHE HBx 1.0 . 3.00 1450 1350 A 104 PHE H A 103 VAL HA 1.0 . 2.45 1451 1351 A 103 VAL HB A 104 PHE H 1.0 . 4.21 1452 1352 A 66 TYR HD% A 94 ILE H 1.0 . 4.10 1453 1353 A 93 LEU HBx A 94 ILE H 1.0 . 4.25 1454 1354 A 94 ILE HG2% A 94 ILE H 1.0 . 2.97 1455 1355 A 93 LEU HG A 94 ILE H 1.0 . 3.52 1456 1356 A 93 LEU HA A 94 ILE H 1.0 . 2.84 1457 1357 A 65 GLN HA A 94 ILE H 1.0 . 3.83 1458 1358 A 93 LEU HD1% A 94 ILE H 1.0 . 3.04 1459 1359 A 64 HIS HBy A 94 ILE H 1.0 . 4.92 1460 1360 A 94 ILE H A 66 TYR HBx 1.0 . 5.40 1461 1360 A 66 TYR HBy A 94 ILE H 1.0 . 5.40 1462 1361 A 94 ILE H A 95 HIS H 1.0 . 4.46 1463 1362 A 94 ILE HB A 94 ILE H 1.0 . 3.79 1464 1363 A 93 LEU HBy A 94 ILE H 1.0 . 4.47 1465 1364 A 69 PHE H A 75 VAL HGy% 1.0 . 4.50 1466 1365 A 69 PHE H A 32 PHE HBx 1.0 . 4.19 1467 1365 A 69 PHE H A 32 PHE HBy 1.0 . 4.19 1468 1366 A 69 PHE H A 68 PHE HBy 1.0 . 4.59 1469 1367 A 69 PHE H A 31 VAL HGx% 1.0 . 4.54 1470 1368 A 88 GLY H A 85 SER H 1.0 . 4.74 1471 1369 A 69 PHE H A 70 VAL HGy% 1.0 . 4.29 1472 1370 A 84 THR HA A 85 SER H 1.0 . 3.28 1473 1371 A 69 PHE H A 68 PHE HBx 1.0 . 3.94 1474 1372 A 85 SER H A 85 SER HBx 1.0 . 3.85 1475 1373 A 90 ILE HA A 85 SER H 1.0 . 3.91 1476 1374 A 69 PHE H A 68 PHE HA 1.0 . 3.32 1477 1375 A 89 THR H A 85 SER H 1.0 . 3.66 1478 1376 A 84 THR HG2% A 85 SER H 1.0 . 3.42 1479 1377 A 85 SER H A 85 SER HBy 1.0 . 3.85 1480 1378 A 69 PHE H A 68 PHE HD% 1.0 . 4.34 1481 1379 A 69 PHE H A 68 PHE H 1.0 . 5.05 1482 1380 A 84 THR HB A 85 SER H 1.0 . 4.38 1483 1381 A 5 ILE HB A 6 ARG H 1.0 . 5.48 1484 1382 A 17 ALA H A 16 GLN HBx 1.0 . 3.61 1485 1383 A 17 ALA H A 16 GLN HBy 1.0 . 4.21 1486 1384 A 17 ALA HB% A 17 ALA H 1.0 . 2.62 1487 1385 A 17 ALA H A 16 GLN HGx 1.0 . 3.63 1488 1385 A 16 GLN HGy A 17 ALA H 1.0 . 3.63 1489 1386 A 60 PRO HA A 17 ALA H 1.0 . 5.05 1490 1387 A 22 ILE HD1% A 23 ARG H 1.0 . 5.05 1491 1388 A 22 ILE HA A 23 ARG H 1.0 . 3.08 1492 1389 A 23 ARG H A 22 ILE H 1.0 . 4.55 1493 1390 A 22 ILE HB A 23 ARG H 1.0 . 4.06 1494 1391 A 22 ILE HG2% A 23 ARG H 1.0 . 3.44 1495 1392 A 11 VAL HB A 12 LYS H 1.0 . 4.33 1496 1393 A 12 LYS H A 13 PRO HDy 1.0 . 5.28 1497 1394 A 12 LYS H A 13 PRO HDx 1.0 . 5.28 1498 1395 A 12 LYS H A 11 VAL HA 1.0 . 2.75 1499 1396 A 11 VAL H A 12 LYS H 1.0 . 4.62 1500 1397 A 96 VAL H A 95 HIS H 1.0 . 4.60 1501 1398 A 64 HIS HD2 A 95 HIS H 1.0 . 5.50 1502 1399 A 95 HIS HBy A 95 HIS H 1.0 . 3.83 1503 1400 A 94 ILE HG2% A 95 HIS H 1.0 . 3.98 1504 1401 A 94 ILE HA A 95 HIS H 1.0 . 2.96 1505 1402 A 94 ILE HB A 95 HIS H 1.0 . 4.09 1506 1403 A 95 HIS HBx A 95 HIS H 1.0 . 3.23 1507 1404 A 94 ILE HD1% A 95 HIS H 1.0 . 4.12 1508 1405 A 73 GLN HBy A 70 VAL H 1.0 . 4.48 1509 1406 A 69 PHE HE% A 70 VAL H 1.0 . 5.47 1510 1407 A 72 GLY H A 70 VAL H 1.0 . 4.74 1511 1408 A 75 VAL HGy% A 70 VAL H 1.0 . 3.43 1512 1409 A 71 ASP H A 70 VAL H 1.0 . 4.42 1513 1410 A 73 GLN H A 70 VAL H 1.0 . 3.29 1514 1411 A 70 VAL HGy% A 70 VAL H 1.0 . 3.41 1515 1412 A 75 VAL H A 70 VAL H 1.0 . 4.23 1516 1413 A 69 PHE HD% A 70 VAL H 1.0 . 3.90 1517 1414 A 69 PHE HA A 70 VAL H 1.0 . 3.37 1518 1415 A 70 VAL HB A 70 VAL H 1.0 . 3.30 1519 1416 A 70 VAL HGx% A 70 VAL H 1.0 . 4.04 1520 1417 A 103 VAL HA A 105 ASP H 1.0 . 4.60 1521 1418 A 104 PHE H A 105 ASP H 1.0 . 3.22 1522 1419 A 105 ASP H A 104 PHE HBy 1.0 . 4.11 1523 1420 A 103 VAL HB A 105 ASP H 1.0 . 4.68 1524 1421 A 104 PHE HBx A 105 ASP H 1.0 . 4.38 1525 1422 A 20 THR HG2% A 21 VAL H 1.0 . 3.13 1526 1423 A 21 VAL HGx% A 21 VAL H 1.0 . 3.05 1527 1424 A 21 VAL HB A 21 VAL H 1.0 . 3.14 1528 1425 A 20 THR HA A 21 VAL H 1.0 . 2.81 1529 1426 A 20 THR HB A 21 VAL H 1.0 . 4.36 1530 1427 A 21 VAL H A 22 ILE H 1.0 . 4.57 1531 1428 A 58 ASP H A 57 LEU H 1.0 . 4.57 1532 1429 A 20 THR HG2% A 57 LEU H 1.0 . 4.67 1533 1430 A 56 ILE H A 57 LEU H 1.0 . 4.38 1534 1431 A 20 THR H A 57 LEU H 1.0 . 3.67 1535 1432 A 56 ILE HB A 57 LEU H 1.0 . 4.42 1536 1433 A 57 LEU HD1% A 57 LEU H 1.0 . 4.00 1537 1434 A 56 ILE HG2% A 57 LEU H 1.0 . 3.29 1538 1435 A 57 LEU HBy A 57 LEU H 1.0 . 3.71 1539 1436 A 57 LEU HD2% A 57 LEU H 1.0 . 3.99 1540 1437 A 20 THR HB A 57 LEU H 1.0 . 4.15 1541 1438 A 56 ILE HA A 57 LEU H 1.0 . 2.90 1542 1439 A 56 ILE HG1y A 57 LEU H 1.0 . 4.74 1543 1440 A 53 PHE HA A 48 LYS H 1.0 . 4.74 1544 1441 A 48 LYS HGy A 48 LYS H 1.0 . 4.49 1545 1442 A 53 PHE HE% A 48 LYS H 1.0 . 4.29 1546 1443 A 47 ILE HG2% A 48 LYS H 1.0 . 3.05 1547 1444 A 47 ILE HB A 48 LYS H 1.0 . 4.29 1548 1445 A 47 ILE HD1% A 48 LYS H 1.0 . 3.83 1549 1446 A 47 ILE HA A 48 LYS H 1.0 . 2.71 1550 1447 A 48 LYS HBx A 48 LYS H 1.0 . 2.97 1551 1448 A 48 LYS HBy A 48 LYS H 1.0 . 3.04 1552 1449 A 53 PHE HD% A 48 LYS H 1.0 . 4.16 1553 1450 A 32 PHE HD% A 44 ILE H 1.0 . 5.19 1554 1451 A 34 SER HA A 44 ILE H 1.0 . 5.03 1555 1452 A 44 ILE HG2% A 44 ILE H 1.0 . 4.43 1556 1453 A 44 ILE H A 32 PHE HBx 1.0 . 4.86 1557 1453 A 32 PHE HBy A 44 ILE H 1.0 . 4.86 1558 1454 A 44 ILE HB A 44 ILE H 1.0 . 3.92 1559 1455 A 44 ILE HD1% A 44 ILE H 1.0 . 3.83 1560 1456 A 33 ILE HG2% A 44 ILE H 1.0 . 4.28 1561 1457 A 63 GLU HA A 96 VAL H 1.0 . 3.86 1562 1458 A 62 GLY HAy A 96 VAL H 1.0 . 4.59 1563 1459 A 96 VAL H A 63 GLU HBx 1.0 . 4.69 1564 1459 A 63 GLU HBy A 96 VAL H 1.0 . 4.69 1565 1460 A 95 HIS HA A 96 VAL H 1.0 . 2.78 1566 1461 A 95 HIS HBx A 96 VAL H 1.0 . 4.08 1567 1462 A 95 HIS HBy A 96 VAL H 1.0 . 3.84 1568 1463 A 62 GLY H A 96 VAL H 1.0 . 3.28 1569 1464 A 96 VAL HB A 96 VAL H 1.0 . 3.13 1570 1465 A 96 VAL HGx% A 96 VAL H 1.0 . 4.02 1571 1466 A 61 GLU HA A 96 VAL H 1.0 . 4.53 1572 1467 A 96 VAL HGy% A 96 VAL H 1.0 . 3.01 1573 1468 A 64 HIS HD2 A 96 VAL H 1.0 . 3.96 1574 1469 A 97 LYS HA A 96 VAL H 1.0 . 5.09 1575 1470 A 61 GLU HA A 97 LYS H 1.0 . 4.78 1576 1471 A 62 GLY HAx A 96 VAL H 1.0 . 4.76 1577 1472 A 96 VAL HB A 97 LYS H 1.0 . 4.18 1578 1473 A 96 VAL HGy% A 97 LYS H 1.0 . 4.15 1579 1474 A 96 VAL HGx% A 97 LYS H 1.0 . 3.01 1580 1475 A 97 LYS H A 97 LYS HBx 1.0 . 3.32 1581 1476 A 96 VAL H A 97 LYS H 1.0 . 4.70 1582 1477 A 96 VAL HA A 97 LYS H 1.0 . 2.51 1583 1478 A 65 GLN HBy A 40 TRP HE1 1.0 . 5.06 1584 1479 A 36 SER H A 40 TRP HE1 1.0 . 4.27 1585 1480 A 65 GLN HBx A 40 TRP HE1 1.0 . 4.64 1586 1481 A 40 TRP HE1 A 36 SER HBx 1.0 . 3.88 1587 1482 A 37 PHE H A 40 TRP HE1 1.0 . 5.06 1588 1483 A 36 SER HA A 40 TRP HE1 1.0 . 3.36 1589 1484 A 40 TRP HE1 A 36 SER HBy 1.0 . 3.88 1590 1485 A 40 TRP H A 40 TRP HE1 1.0 . 4.89 1591 1486 A 39 ASN H A 40 TRP HE1 1.0 . 5.19 1592 1487 A 65 GLN H A 40 TRP HE1 1.0 . 5.47 1593 1488 A 71 ASP H A 72 GLY HAy 1.0 . 5.50 1594 1489 A 71 ASP H A 29 LYS H 1.0 . 5.21 1595 1490 A 70 VAL HGy% A 71 ASP H 1.0 . 4.34 1596 1491 A 71 ASP H A 71 ASP HA 1.0 . 2.89 1597 1492 A 70 VAL HGx% A 71 ASP H 1.0 . 3.39 1598 1493 A 72 GLY H A 71 ASP H 1.0 . 3.67 1599 1494 A 70 VAL HA A 71 ASP H 1.0 . 2.92 1600 1495 A 71 ASP H A 72 GLY HAx 1.0 . 5.50 1601 1496 A 71 ASP H A 30 GLU HGx 1.0 . 5.30 1602 1496 A 71 ASP H A 30 GLU HGy 1.0 . 5.30 1603 1497 A 31 VAL HGy% A 71 ASP H 1.0 . 4.57 1604 1498 A 71 ASP H A 70 VAL HB 1.0 . 4.32 1605 1499 A 24 TRP HBy A 24 TRP HE1 1.0 . 5.23 1606 1500 A 53 PHE HBy A 24 TRP HE1 1.0 . 5.48 1607 1501 A 70 VAL HA A 24 TRP HE1 1.0 . 5.50 1608 1502 A 70 VAL HB A 24 TRP HE1 1.0 . 4.91 1609 1503 A 25 SER H A 24 TRP HE1 1.0 . 5.15 1610 1504 A 28 GLY HAy A 24 TRP HE1 1.0 . 5.50 1611 1505 A 28 GLY HAx A 24 TRP HE1 1.0 . 4.33 1612 1506 A 53 PHE HD% A 24 TRP HE1 1.0 . 4.44 1613 1507 A 24 TRP HE1 A 26 GLU HGx 1.0 . 4.63 1614 1508 A 31 VAL HGx% A 24 TRP HE1 1.0 . 4.41 1615 1509 A 27 GLY H A 24 TRP HE1 1.0 . 3.63 1616 1510 A 26 GLU HBx A 24 TRP HE1 1.0 . 3.70 1617 1511 A 31 VAL HGy% A 24 TRP HE1 1.0 . 3.77 1618 1512 A 26 GLU HBy A 24 TRP HE1 1.0 . 4.02 1619 1513 A 70 VAL HGy% A 24 TRP HE1 1.0 . 3.86 1620 1514 A 75 VAL HGy% A 24 TRP HE1 1.0 . 4.53 1621 1515 A 25 SER HA A 24 TRP HE1 1.0 . 5.21 1622 1516 A 70 VAL HGx% A 24 TRP HE1 1.0 . 3.32 1623 1517 A 28 GLY H A 24 TRP HE1 1.0 . 4.69 1624 1518 A 24 TRP HBx A 24 TRP HE1 1.0 . 4.90 1625 1519 A 24 TRP HE1 A 26 GLU HGy 1.0 . 4.63 1626 1520 A 22 ILE HG2% A 22 ILE H 1.0 . 4.03 1627 1521 A 22 ILE HB A 22 ILE H 1.0 . 3.23 1628 1522 A 21 VAL HA A 22 ILE H 1.0 . 2.96 1629 1523 A 21 VAL HGy% A 22 ILE H 1.0 . 3.04 1630 1524 A 55 ALA HB% A 22 ILE H 1.0 . 3.83 1631 1525 A 22 ILE HD1% A 22 ILE H 1.0 . 4.24 1632 1526 A 21 VAL HB A 22 ILE H 1.0 . 4.30 1633 1527 A 69 PHE HD% A 74 TRP HE1 1.0 . 5.50 1634 1528 A 69 PHE HE% A 74 TRP HE1 1.0 . 4.91 1635 1529 A 96 VAL HGy% A 64 HIS HE2 1.0 . 4.95 1636 1530 A 72 GLY H A 71 ASP HBy 1.0 . 4.91 1637 1531 A 72 GLY H A 71 ASP HA 1.0 . 3.44 1638 1532 A 69 PHE HE% A 72 GLY H 1.0 . 4.42 1639 1533 A 72 GLY H A 73 GLN HBy 1.0 . 5.50 1640 1534 A 96 VAL HB A 64 HIS HE2 1.0 . 5.50 1641 1535 A 62 GLY H A 64 HIS HE2 1.0 . 5.50 1642 1536 A 36 SER HA A 65 GLN H 1.0 . 5.47 1643 1537 A 16 GLN H A 15 GLN H 1.0 . 4.45 1644 1538 A 17 ALA H A 16 GLN H 1.0 . 3.41 1645 1539 A 57 LEU HBy A 20 THR H 1.0 . 5.05 1646 1540 A 30 GLU HA A 29 LYS H 1.0 . 4.99 1647 1541 A 96 VAL HGy% A 63 GLU H 1.0 . 5.37 1648 1542 A 83 VAL H A 91 ASN H 1.0 . 3.38 1649 1543 A 83 VAL HGy% A 84 THR H 1.0 . 2.93 1650 1544 A 83 VAL HGx% A 84 THR H 1.0 . 3.93 1651 1545 A 92 ASN HD2x A 92 ASN H 1.0 . 4.54 1652 1546 A 87 LEU H A 85 SER H 1.0 . 4.91 1653 1547 A 35 GLY H A 36 SER H 1.0 . 5.13 1654 1548 A 39 ASN HBx A 41 SER H 1.0 . 5.14 1655 1549 A 42 THR HG2% A 41 SER H 1.0 . 5.33 1656 1550 A 40 TRP H A 36 SER H 1.0 . 5.19 1657 1551 A 54 VAL H A 47 ILE H 1.0 . 5.31 1658 1552 A 47 ILE HG1x A 47 ILE H 1.0 . 5.23 1659 1553 A 47 ILE HG1y A 47 ILE H 1.0 . 5.21 1660 1554 A 46 LEU HBx A 47 ILE H 1.0 . 5.31 1661 1555 A 59 LEU HD1% A 94 ILE H 1.0 . 5.50 1662 1556 A 22 ILE HD1% A 94 ILE H 1.0 . 5.50 1663 1557 A 89 THR HG2% A 85 SER H 1.0 . 5.08 1664 1558 A 83 VAL HGy% A 85 SER H 1.0 . 4.56 1665 1559 A 90 ILE HD1% A 85 SER H 1.0 . 4.91 1666 1560 A 90 ILE HG2% A 85 SER H 1.0 . 5.50 1667 1561 A 86 GLN H A 85 SER H 1.0 . 5.14 1668 1562 A 90 ILE H A 85 SER H 1.0 . 5.23 1669 1563 A 83 VAL HB A 85 SER H 1.0 . 5.50 1670 1564 A 91 ASN HD2x A 85 SER H 1.0 . 5.25 1671 1565 A 17 ALA HB% A 16 GLN H 1.0 . 4.65 1672 1566 A 19 PRO HDx A 18 ARG H 1.0 . 4.82 1673 1567 A 19 PRO HDy A 18 ARG H 1.0 . 4.76 1674 1568 A 22 ILE HG2% A 24 TRP H 1.0 . 4.75 1675 1569 A 84 THR HG2% A 91 ASN H 1.0 . 4.97 1676 1570 A 31 VAL HGy% A 27 GLY H 1.0 . 4.84 1677 1571 A 53 PHE HE% A 31 VAL H 1.0 . 4.49 1678 1572 A 53 PHE HD% A 31 VAL H 1.0 . 4.65 1679 1573 A 34 SER HA A 33 ILE H 1.0 . 5.01 1680 1574 A 44 ILE HA A 33 ILE H 1.0 . 5.18 1681 1575 A 46 LEU HG A 47 ILE H 1.0 . 5.50 1682 1576 A 52 ASP HBx A 49 SER H 1.0 . 5.48 1683 1577 A 53 PHE HD% A 49 SER H 1.0 . 4.48 1684 1578 A 53 PHE HE% A 49 SER H 1.0 . 5.50 1685 1579 A 51 ASN HD2y A 52 ASP H 1.0 . 4.89 1686 1580 A 64 HIS HD2 A 63 GLU H 1.0 . 4.81 1687 1581 A 51 ASN HD2x A 52 ASP H 1.0 . 4.89 1688 1582 A 47 ILE HG2% A 54 VAL H 1.0 . 4.72 1689 1583 A 47 ILE HG1x A 54 VAL H 1.0 . 5.50 1690 1584 A 46 LEU HG A 54 VAL H 1.0 . 4.42 1691 1585 A 54 VAL H A 49 SER HBx 1.0 . 4.78 1692 1585 A 54 VAL H A 49 SER HBy 1.0 . 4.78 1693 1586 A 47 ILE HA A 54 VAL H 1.0 . 4.91 1694 1587 A 23 ARG HA A 54 VAL H 1.0 . 5.00 1695 1588 A 57 LEU HD2% A 56 ILE H 1.0 . 5.21 1696 1589 A 21 VAL HB A 57 LEU H 1.0 . 5.20 1697 1590 A 59 LEU HD1% A 57 LEU H 1.0 . 5.50 1698 1591 A 31 VAL HGx% A 70 VAL H 1.0 . 4.87 1699 1592 A 20 THR H A 58 ASP H 1.0 . 4.85 1700 1593 A 59 LEU H A 60 PRO HDx 1.0 . 5.11 1701 1594 A 17 ALA HB% A 61 GLU H 1.0 . 5.24 1702 1595 A 96 VAL HGy% A 61 GLU H 1.0 . 4.85 1703 1596 A 35 GLY HAy A 66 TYR H 1.0 . 4.84 1704 1597 A 35 GLY HAx A 66 TYR H 1.0 . 4.61 1705 1598 A 22 ILE HD1% A 67 LYS H 1.0 . 5.41 1706 1599 A 67 LYS H A 68 PHE H 1.0 . 4.82 1707 1600 A 69 PHE H A 33 ILE HG1x 1.0 . 5.50 1708 1601 A 69 PHE H A 33 ILE HB 1.0 . 4.94 1709 1602 A 69 PHE H A 31 VAL HA 1.0 . 4.73 1710 1603 A 68 PHE HE% A 69 PHE H 1.0 . 5.50 1711 1604 A 69 PHE H A 34 SER H 1.0 . 5.50 1712 1605 A 72 GLY H A 71 ASP HBx 1.0 . 4.91 1713 1606 A 73 GLN HA A 72 GLY H 1.0 . 5.36 1714 1607 A 73 GLN H A 71 ASP HBy 1.0 . 4.86 1715 1608 A 73 GLN H A 71 ASP HBx 1.0 . 4.86 1716 1609 A 74 TRP H A 74 TRP HE1 1.0 . 5.17 1717 1610 A 75 VAL HGy% A 74 TRP H 1.0 . 5.32 1718 1611 A 68 PHE HD% A 75 VAL H 1.0 . 5.49 1719 1612 A 24 TRP HH2 A 75 VAL H 1.0 . 5.50 1720 1613 A 76 HIS HD2 A 76 HIS H 1.0 . 4.89 1721 1614 A 66 TYR HD% A 93 LEU H 1.0 . 4.88 1722 1615 A 90 ILE HG2% A 76 HIS H 1.0 . 5.16 1723 1616 A 78 PRO HA A 77 ASP H 1.0 . 5.42 1724 1617 A 77 ASP H A 80 GLU H 1.0 . 4.98 1725 1618 A 76 HIS HD2 A 80 GLU H 1.0 . 5.50 1726 1619 A 93 LEU H A 82 VAL H 1.0 . 5.03 1727 1620 A 91 ASN HA A 83 VAL H 1.0 . 4.62 1728 1621 A 65 GLN HE2y A 83 VAL H 1.0 . 4.63 1729 1622 A 92 ASN HBx A 83 VAL H 1.0 . 5.50 1730 1623 A 93 LEU HBy A 83 VAL H 1.0 . 5.08 1731 1624 A 93 LEU HBx A 83 VAL H 1.0 . 4.73 1732 1625 A 90 ILE HG2% A 84 THR H 1.0 . 5.50 1733 1626 A 5 ILE H A 5 ILE HG1y 1.0 . 4.05 1734 1626 A 5 ILE H A 5 ILE HG1x 1.0 . 4.05 1735 1627 A 6 ARG HA A 6 ARG HDx 1.0 . 4.54 1736 1627 A 6 ARG HA A 6 ARG HDy 1.0 . 4.54 1737 1628 A 11 VAL H A 11 VAL HGx% 1.0 . 3.44 1738 1628 A 11 VAL H A 11 VAL HG21 1.0 . 3.44 1739 1629 A 12 LYS H A 11 VAL HGx% 1.0 . 4.27 1740 1629 A 12 LYS H A 11 VAL HG21 1.0 . 4.27 1741 1630 A 12 LYS H A 12 LYS HBx 1.0 . 3.54 1742 1630 A 12 LYS H A 12 LYS HBy 1.0 . 3.54 1743 1631 A 12 LYS H A 12 LYS HGx 1.0 . 3.88 1744 1631 A 12 LYS H A 12 LYS HGy 1.0 . 3.88 1745 1632 A 12 LYS H A 12 LYS HDx 1.0 . 3.83 1746 1632 A 12 LYS H A 12 LYS HDy 1.0 . 3.83 1747 1633 A 12 LYS H A 13 PRO HDy 1.0 . 4.54 1748 1633 A 12 LYS H A 13 PRO HDx 1.0 . 4.54 1749 1634 A 12 LYS HDy A 13 PRO HDy 1.0 . 4.62 1750 1634 A 12 LYS HDx A 13 PRO HDy 1.0 . 4.62 1751 1634 A 13 PRO HDx A 12 LYS HDx 1.0 . 4.62 1752 1634 A 12 LYS HDy A 13 PRO HDx 1.0 . 4.62 1753 1635 A 14 THR HB A 13 PRO HBx 1.0 . 5.34 1754 1635 A 14 THR HB A 13 PRO HBy 1.0 . 5.34 1755 1636 A 14 THR HA A 15 GLN HBx 1.0 . 4.72 1756 1636 A 14 THR HA A 15 GLN HBy 1.0 . 4.72 1757 1637 A 15 GLN H A 15 GLN HBx 1.0 . 3.20 1758 1637 A 15 GLN H A 15 GLN HBy 1.0 . 3.20 1759 1638 A 17 ALA HA A 15 GLN HBx 1.0 . 5.24 1760 1638 A 17 ALA HA A 15 GLN HBy 1.0 . 5.24 1761 1639 A 15 GLN HE2y A 15 GLN HGx 1.0 . 3.36 1762 1639 A 15 GLN HE2x A 15 GLN HGx 1.0 . 3.36 1763 1639 A 15 GLN HGy A 15 GLN HE2y 1.0 . 3.36 1764 1639 A 15 GLN HGy A 15 GLN HE2x 1.0 . 3.36 1765 1640 A 17 ALA HA A 18 ARG HBx 1.0 . 5.01 1766 1640 A 17 ALA HA A 18 ARG HBy 1.0 . 5.01 1767 1641 A 17 ALA HA A 60 PRO HBx 1.0 . 4.44 1768 1641 A 17 ALA HA A 60 PRO HBy 1.0 . 4.44 1769 1642 A 17 ALA HB% A 60 PRO HDx 1.0 . 5.13 1770 1642 A 17 ALA HB% A 60 PRO HDy 1.0 . 5.13 1771 1643 A 18 ARG H A 18 ARG HBx 1.0 . 2.96 1772 1643 A 18 ARG H A 18 ARG HBy 1.0 . 2.96 1773 1644 A 18 ARG H A 18 ARG HDx 1.0 . 4.94 1774 1644 A 18 ARG H A 18 ARG HDy 1.0 . 4.94 1775 1645 A 18 ARG HA A 18 ARG HGy 1.0 . 3.56 1776 1645 A 18 ARG HA A 18 ARG HGx 1.0 . 3.56 1777 1646 A 18 ARG HA A 18 ARG HDx 1.0 . 3.88 1778 1646 A 18 ARG HA A 18 ARG HDy 1.0 . 3.88 1779 1647 A 18 ARG HA A 19 PRO HGx 1.0 . 4.14 1780 1647 A 18 ARG HA A 19 PRO HGy 1.0 . 4.14 1781 1648 A 18 ARG HBx A 18 ARG HDx 1.0 . 2.92 1782 1648 A 18 ARG HDy A 18 ARG HBx 1.0 . 2.92 1783 1648 A 18 ARG HBy A 18 ARG HDy 1.0 . 2.92 1784 1648 A 18 ARG HBy A 18 ARG HDx 1.0 . 2.92 1785 1649 A 19 PRO HDy A 18 ARG HBx 1.0 . 4.82 1786 1649 A 19 PRO HDy A 18 ARG HBy 1.0 . 4.82 1787 1650 A 96 VAL HGx% A 18 ARG HBx 1.0 . 3.84 1788 1650 A 96 VAL HGx% A 18 ARG HBy 1.0 . 3.84 1789 1651 A 99 SER H A 18 ARG HBx 1.0 . 3.71 1790 1651 A 99 SER H A 18 ARG HBy 1.0 . 3.71 1791 1652 A 18 ARG HBx A 99 SER HBx 1.0 . 4.76 1792 1652 A 18 ARG HBy A 99 SER HBx 1.0 . 4.76 1793 1652 A 99 SER HBy A 18 ARG HBx 1.0 . 4.76 1794 1652 A 18 ARG HBy A 99 SER HBy 1.0 . 4.76 1795 1653 A 19 PRO HDx A 18 ARG HGy 1.0 . 4.52 1796 1653 A 19 PRO HDx A 18 ARG HGx 1.0 . 4.52 1797 1654 A 96 VAL HGx% A 18 ARG HGy 1.0 . 4.31 1798 1654 A 96 VAL HGx% A 18 ARG HGx 1.0 . 4.31 1799 1655 A 99 SER H A 18 ARG HGy 1.0 . 3.83 1800 1655 A 99 SER H A 18 ARG HGx 1.0 . 3.83 1801 1656 A 18 ARG HGx A 99 SER HBx 1.0 . 4.46 1802 1656 A 18 ARG HGy A 99 SER HBx 1.0 . 4.46 1803 1656 A 99 SER HBy A 18 ARG HGy 1.0 . 4.46 1804 1656 A 18 ARG HGx A 99 SER HBy 1.0 . 4.46 1805 1657 A 100 ASP H A 18 ARG HGy 1.0 . 4.06 1806 1657 A 100 ASP H A 18 ARG HGx 1.0 . 4.06 1807 1658 A 19 PRO HDx A 18 ARG HDx 1.0 . 4.40 1808 1658 A 19 PRO HDx A 18 ARG HDy 1.0 . 4.40 1809 1659 A 19 PRO HDy A 18 ARG HDx 1.0 . 5.34 1810 1659 A 19 PRO HDy A 18 ARG HDy 1.0 . 5.34 1811 1660 A 96 VAL HA A 18 ARG HDx 1.0 . 4.86 1812 1660 A 96 VAL HA A 18 ARG HDy 1.0 . 4.86 1813 1661 A 96 VAL HGx% A 18 ARG HDx 1.0 . 3.70 1814 1661 A 96 VAL HGx% A 18 ARG HDy 1.0 . 3.70 1815 1662 A 96 VAL HGy% A 18 ARG HDx 1.0 . 4.47 1816 1662 A 96 VAL HGy% A 18 ARG HDy 1.0 . 4.47 1817 1663 A 97 LYS H A 18 ARG HDx 1.0 . 4.35 1818 1663 A 97 LYS H A 18 ARG HDy 1.0 . 4.35 1819 1664 A 18 ARG HDy A 99 SER HBx 1.0 . 5.18 1820 1664 A 18 ARG HDx A 99 SER HBx 1.0 . 5.18 1821 1664 A 99 SER HBy A 18 ARG HDx 1.0 . 5.18 1822 1664 A 18 ARG HDy A 99 SER HBy 1.0 . 5.18 1823 1665 A 20 THR H A 19 PRO HBy 1.0 . 3.33 1824 1665 A 20 THR H A 19 PRO HBx 1.0 . 3.33 1825 1666 A 56 ILE HG2% A 19 PRO HBy 1.0 . 3.30 1826 1666 A 56 ILE HG2% A 19 PRO HBx 1.0 . 3.30 1827 1667 A 57 LEU H A 19 PRO HBy 1.0 . 5.34 1828 1667 A 57 LEU H A 19 PRO HBx 1.0 . 5.34 1829 1668 A 20 THR H A 19 PRO HGx 1.0 . 4.61 1830 1668 A 20 THR H A 19 PRO HGy 1.0 . 4.61 1831 1669 A 56 ILE HG2% A 19 PRO HGx 1.0 . 4.14 1832 1669 A 56 ILE HG2% A 19 PRO HGy 1.0 . 4.14 1833 1670 A 22 ILE HG1y A 94 ILE HG1x 1.0 . 5.12 1834 1670 A 22 ILE HG1y A 94 ILE HG1y 1.0 . 5.12 1835 1671 A 22 ILE HD1% A 94 ILE HG1x 1.0 . 4.55 1836 1671 A 22 ILE HD1% A 94 ILE HG1y 1.0 . 4.55 1837 1672 A 23 ARG H A 23 ARG HBy 1.0 . 3.59 1838 1672 A 23 ARG H A 23 ARG HBx 1.0 . 3.59 1839 1673 A 23 ARG H A 54 VAL HGx% 1.0 . 4.83 1840 1673 A 23 ARG H A 54 VAL HG21 1.0 . 4.83 1841 1674 A 23 ARG HA A 54 VAL HGx% 1.0 . 3.68 1842 1674 A 23 ARG HA A 54 VAL HG21 1.0 . 3.68 1843 1675 A 24 TRP H A 23 ARG HBy 1.0 . 3.68 1844 1675 A 24 TRP H A 23 ARG HBx 1.0 . 3.68 1845 1676 A 54 VAL HA A 23 ARG HBy 1.0 . 4.70 1846 1676 A 54 VAL HA A 23 ARG HBx 1.0 . 4.70 1847 1677 A 23 ARG HBy A 54 VAL HGx% 1.0 . 3.64 1848 1677 A 54 VAL HG21 A 23 ARG HBy 1.0 . 3.64 1849 1677 A 23 ARG HBx A 54 VAL HG21 1.0 . 3.64 1850 1677 A 23 ARG HBx A 54 VAL HGx% 1.0 . 3.64 1851 1678 A 23 ARG HGx A 25 SER HBx 1.0 . 4.49 1852 1678 A 23 ARG HGx A 25 SER HBy 1.0 . 4.49 1853 1679 A 23 ARG HDy A 54 VAL HGx% 1.0 . 3.93 1854 1679 A 54 VAL HG21 A 23 ARG HDx 1.0 . 3.93 1855 1679 A 23 ARG HDy A 54 VAL HG21 1.0 . 3.93 1856 1679 A 23 ARG HDx A 54 VAL HGx% 1.0 . 3.93 1857 1680 A 24 TRP H A 54 VAL HGx% 1.0 . 3.47 1858 1680 A 24 TRP H A 54 VAL HG21 1.0 . 3.47 1859 1681 A 24 TRP HZ3 A 77 ASP HBy 1.0 . 3.81 1860 1681 A 24 TRP HZ3 A 77 ASP HBx 1.0 . 3.81 1861 1682 A 24 TRP HZ2 A 26 GLU HGy 1.0 . 3.53 1862 1682 A 24 TRP HZ2 A 26 GLU HGx 1.0 . 3.53 1863 1683 A 24 TRP HH2 A 26 GLU HGy 1.0 . 4.24 1864 1683 A 24 TRP HH2 A 26 GLU HGx 1.0 . 4.24 1865 1684 A 25 SER H A 25 SER HBx 1.0 . 3.02 1866 1684 A 25 SER H A 25 SER HBy 1.0 . 3.02 1867 1685 A 26 GLU HA A 26 GLU HGy 1.0 . 3.40 1868 1685 A 26 GLU HA A 26 GLU HGx 1.0 . 3.40 1869 1686 A 27 GLY H A 26 GLU HGy 1.0 . 4.02 1870 1686 A 27 GLY H A 26 GLU HGx 1.0 . 4.02 1871 1687 A 75 VAL HGy% A 26 GLU HGy 1.0 . 4.39 1872 1687 A 75 VAL HGy% A 26 GLU HGx 1.0 . 4.39 1873 1688 A 29 LYS H A 29 LYS HGx 1.0 . 3.45 1874 1688 A 29 LYS H A 29 LYS HGy 1.0 . 3.45 1875 1689 A 29 LYS H A 29 LYS HDx 1.0 . 4.04 1876 1689 A 29 LYS H A 29 LYS HDy 1.0 . 4.04 1877 1690 A 29 LYS HA A 29 LYS HGx 1.0 . 3.55 1878 1690 A 29 LYS HA A 29 LYS HGy 1.0 . 3.55 1879 1691 A 29 LYS HA A 29 LYS HDx 1.0 . 4.01 1880 1691 A 29 LYS HA A 29 LYS HDy 1.0 . 4.01 1881 1692 A 29 LYS HBx A 29 LYS HDx 1.0 . 3.14 1882 1692 A 29 LYS HBy A 29 LYS HDx 1.0 . 3.14 1883 1692 A 29 LYS HDy A 29 LYS HBx 1.0 . 3.14 1884 1692 A 29 LYS HBy A 29 LYS HDy 1.0 . 3.14 1885 1693 A 29 LYS HEy A 29 LYS HGx 1.0 . 3.37 1886 1693 A 29 LYS HEx A 29 LYS HGx 1.0 . 3.37 1887 1693 A 29 LYS HGy A 29 LYS HEx 1.0 . 3.37 1888 1693 A 29 LYS HEy A 29 LYS HGy 1.0 . 3.37 1889 1694 A 30 GLU H A 29 LYS HGx 1.0 . 4.19 1890 1694 A 30 GLU H A 29 LYS HGy 1.0 . 4.19 1891 1695 A 30 GLU H A 29 LYS HDx 1.0 . 4.22 1892 1695 A 30 GLU H A 29 LYS HDy 1.0 . 4.22 1893 1696 A 29 LYS HDx A 30 GLU HGx 1.0 . 4.65 1894 1696 A 29 LYS HDy A 30 GLU HGx 1.0 . 4.65 1895 1696 A 30 GLU HGy A 29 LYS HDx 1.0 . 4.65 1896 1696 A 30 GLU HGy A 29 LYS HDy 1.0 . 4.65 1897 1697 A 31 VAL H A 30 GLU HBx 1.0 . 3.89 1898 1697 A 31 VAL H A 30 GLU HBy 1.0 . 3.89 1899 1698 A 32 PHE HD% A 30 GLU HBx 1.0 . 4.92 1900 1698 A 32 PHE HD% A 30 GLU HBy 1.0 . 4.92 1901 1699 A 32 PHE HE% A 30 GLU HBx 1.0 . 3.16 1902 1699 A 32 PHE HE% A 30 GLU HBy 1.0 . 3.16 1903 1700 A 71 ASP H A 30 GLU HBx 1.0 . 4.42 1904 1700 A 71 ASP H A 30 GLU HBy 1.0 . 4.42 1905 1701 A 72 GLY H A 30 GLU HBx 1.0 . 5.34 1906 1701 A 72 GLY H A 30 GLU HBy 1.0 . 5.34 1907 1702 A 32 PHE H A 69 PHE HBx 1.0 . 4.46 1908 1702 A 32 PHE H A 69 PHE HBy 1.0 . 4.46 1909 1703 A 32 PHE HBy A 43 LYS HBy 1.0 . 4.47 1910 1703 A 32 PHE HBx A 43 LYS HBy 1.0 . 4.47 1911 1703 A 43 LYS HBx A 32 PHE HBx 1.0 . 4.47 1912 1703 A 32 PHE HBy A 43 LYS HBx 1.0 . 4.47 1913 1704 A 32 PHE HBy A 43 LYS HDy 1.0 . 4.70 1914 1704 A 32 PHE HBx A 43 LYS HDy 1.0 . 4.70 1915 1704 A 43 LYS HDx A 32 PHE HBx 1.0 . 4.70 1916 1704 A 32 PHE HBy A 43 LYS HDx 1.0 . 4.70 1917 1705 A 32 PHE HBy A 69 PHE HBx 1.0 . 4.84 1918 1705 A 32 PHE HBx A 69 PHE HBx 1.0 . 4.84 1919 1705 A 69 PHE HBy A 32 PHE HBx 1.0 . 4.84 1920 1705 A 32 PHE HBy A 69 PHE HBy 1.0 . 4.84 1921 1706 A 32 PHE HD% A 43 LYS HBy 1.0 . 3.95 1922 1706 A 32 PHE HD% A 43 LYS HBx 1.0 . 3.95 1923 1707 A 32 PHE HD% A 43 LYS HGx 1.0 . 4.34 1924 1707 A 32 PHE HD% A 43 LYS HGy 1.0 . 4.34 1925 1708 A 32 PHE HD% A 43 LYS HDy 1.0 . 4.13 1926 1708 A 32 PHE HD% A 43 LYS HDx 1.0 . 4.13 1927 1709 A 32 PHE HD% A 43 LYS HEy 1.0 . 5.34 1928 1709 A 32 PHE HD% A 43 LYS HEx 1.0 . 5.34 1929 1710 A 32 PHE HD% A 69 PHE HBx 1.0 . 4.18 1930 1710 A 32 PHE HD% A 69 PHE HBy 1.0 . 4.18 1931 1711 A 32 PHE HE% A 43 LYS HGx 1.0 . 4.87 1932 1711 A 32 PHE HE% A 43 LYS HGy 1.0 . 4.87 1933 1712 A 33 ILE H A 34 SER HBy 1.0 . 5.34 1934 1712 A 33 ILE H A 34 SER HBx 1.0 . 5.34 1935 1713 A 33 ILE H A 43 LYS HBy 1.0 . 4.27 1936 1713 A 33 ILE H A 43 LYS HBx 1.0 . 4.27 1937 1714 A 33 ILE H A 69 PHE HBx 1.0 . 5.01 1938 1714 A 33 ILE H A 69 PHE HBy 1.0 . 5.01 1939 1715 A 34 SER H A 34 SER HBy 1.0 . 3.60 1940 1715 A 34 SER H A 34 SER HBx 1.0 . 3.60 1941 1716 A 35 GLY H A 34 SER HBy 1.0 . 4.26 1942 1716 A 35 GLY H A 34 SER HBx 1.0 . 4.26 1943 1717 A 40 TRP HE3 A 34 SER HBy 1.0 . 3.51 1944 1717 A 40 TRP HE3 A 34 SER HBx 1.0 . 3.51 1945 1718 A 40 TRP HZ3 A 34 SER HBy 1.0 . 4.49 1946 1718 A 40 TRP HZ3 A 34 SER HBx 1.0 . 4.49 1947 1719 A 44 ILE H A 34 SER HBy 1.0 . 5.34 1948 1719 A 44 ILE H A 34 SER HBx 1.0 . 5.34 1949 1720 A 67 LYS H A 34 SER HBy 1.0 . 5.34 1950 1720 A 67 LYS H A 34 SER HBx 1.0 . 5.34 1951 1721 A 74 TRP HZ3 A 34 SER HBy 1.0 . 4.61 1952 1721 A 74 TRP HZ3 A 34 SER HBx 1.0 . 4.61 1953 1722 A 74 TRP HH2 A 34 SER HBy 1.0 . 4.95 1954 1722 A 34 SER HBx A 74 TRP HH2 1.0 . 4.95 1955 1723 A 36 SER H A 65 GLN HGx 1.0 . 5.34 1956 1723 A 36 SER H A 65 GLN HGy 1.0 . 5.34 1957 1724 A 38 ASN H A 36 SER HBy 1.0 . 5.15 1958 1724 A 38 ASN H A 36 SER HBx 1.0 . 5.15 1959 1725 A 39 ASN H A 36 SER HBy 1.0 . 4.88 1960 1725 A 39 ASN H A 36 SER HBx 1.0 . 4.88 1961 1726 A 40 TRP HE1 A 36 SER HBy 1.0 . 3.36 1962 1726 A 40 TRP HE1 A 36 SER HBx 1.0 . 3.36 1963 1727 A 65 GLN H A 36 SER HBy 1.0 . 3.73 1964 1727 A 65 GLN H A 36 SER HBx 1.0 . 3.73 1965 1728 A 37 PHE HD% A 38 ASN HBy 1.0 . 4.01 1966 1728 A 37 PHE HD% A 38 ASN HBx 1.0 . 4.01 1967 1729 A 37 PHE HE% A 38 ASN HBy 1.0 . 4.28 1968 1729 A 37 PHE HE% A 38 ASN HBx 1.0 . 4.28 1969 1730 A 38 ASN H A 38 ASN HBy 1.0 . 3.33 1970 1730 A 38 ASN H A 38 ASN HBx 1.0 . 3.33 1971 1731 A 38 ASN HD2x A 38 ASN H 1.0 . 4.99 1972 1731 A 38 ASN HD2y A 38 ASN H 1.0 . 4.99 1973 1732 A 39 ASN H A 38 ASN HBy 1.0 . 4.42 1974 1732 A 39 ASN H A 38 ASN HBx 1.0 . 4.42 1975 1733 A 40 TRP H A 38 ASN HBy 1.0 . 5.01 1976 1733 A 40 TRP H A 38 ASN HBx 1.0 . 5.01 1977 1734 A 42 THR H A 38 ASN HBy 1.0 . 4.72 1978 1734 A 42 THR H A 38 ASN HBx 1.0 . 4.72 1979 1735 A 38 ASN HD2x A 41 SER H 1.0 . 5.29 1980 1735 A 41 SER H A 38 ASN HD2y 1.0 . 5.29 1981 1736 A 42 THR HG2% A 38 ASN HD2x 1.0 . 4.34 1982 1736 A 42 THR HG2% A 38 ASN HD2y 1.0 . 4.34 1983 1737 A 44 ILE HD1% A 38 ASN HD2x 1.0 . 4.27 1984 1737 A 44 ILE HD1% A 38 ASN HD2y 1.0 . 4.27 1985 1738 A 39 ASN HA A 39 ASN HD2x 1.0 . 3.97 1986 1738 A 39 ASN HA A 39 ASN HD2y 1.0 . 3.97 1987 1739 A 39 ASN HBx A 39 ASN HD2y 1.0 . 3.24 1988 1739 A 39 ASN HBx A 39 ASN HD2x 1.0 . 3.24 1989 1740 A 39 ASN HBy A 39 ASN HD2x 1.0 . 3.31 1990 1740 A 39 ASN HBy A 39 ASN HD2y 1.0 . 3.31 1991 1741 A 40 TRP H A 40 TRP HBx 1.0 . 3.55 1992 1741 A 40 TRP H A 40 TRP HBy 1.0 . 3.55 1993 1742 A 40 TRP HE1 A 40 TRP HBx 1.0 . 4.57 1994 1742 A 40 TRP HE1 A 40 TRP HBy 1.0 . 4.57 1995 1743 A 40 TRP HZ3 A 67 LYS HBx 1.0 . 3.84 1996 1743 A 40 TRP HZ3 A 67 LYS HBy 1.0 . 3.84 1997 1744 A 40 TRP HZ2 A 65 GLN HGx 1.0 . 5.02 1998 1744 A 40 TRP HZ2 A 65 GLN HGy 1.0 . 5.02 1999 1745 A 40 TRP HH2 A 67 LYS HBx 1.0 . 4.20 2000 1745 A 40 TRP HH2 A 67 LYS HBy 1.0 . 4.20 2001 1746 A 43 LYS HA A 43 LYS HDy 1.0 . 4.66 2002 1746 A 43 LYS HA A 43 LYS HDx 1.0 . 4.66 2003 1747 A 69 PHE HE% A 43 LYS HDy 1.0 . 4.55 2004 1747 A 69 PHE HE% A 43 LYS HDx 1.0 . 4.55 2005 1748 A 69 PHE HD% A 43 LYS HEy 1.0 . 4.06 2006 1748 A 69 PHE HD% A 43 LYS HEx 1.0 . 4.06 2007 1749 A 69 PHE HE% A 43 LYS HEy 1.0 . 3.85 2008 1749 A 69 PHE HE% A 43 LYS HEx 1.0 . 3.85 2009 1750 A 69 PHE HZ A 43 LYS HEy 1.0 . 5.34 2010 1750 A 69 PHE HZ A 43 LYS HEx 1.0 . 5.34 2011 1751 A 44 ILE H A 44 ILE HG1x 1.0 . 4.16 2012 1751 A 44 ILE H A 44 ILE HG1y 1.0 . 4.16 2013 1752 A 44 ILE HA A 44 ILE HG1x 1.0 . 3.35 2014 1752 A 44 ILE HA A 44 ILE HG1y 1.0 . 3.35 2015 1753 A 44 ILE HG2% A 44 ILE HG1x 1.0 . 3.19 2016 1753 A 44 ILE HG2% A 44 ILE HG1y 1.0 . 3.19 2017 1754 A 45 PRO HGx A 44 ILE HG1x 1.0 . 5.24 2018 1754 A 45 PRO HGx A 44 ILE HG1y 1.0 . 5.24 2019 1755 A 45 PRO HGy A 44 ILE HG1x 1.0 . 5.34 2020 1755 A 45 PRO HGy A 44 ILE HG1y 1.0 . 5.34 2021 1756 A 45 PRO HDy A 44 ILE HG1x 1.0 . 3.77 2022 1756 A 44 ILE HG1y A 45 PRO HDy 1.0 . 3.77 2023 1757 A 45 PRO HDx A 44 ILE HG1x 1.0 . 4.20 2024 1757 A 45 PRO HDx A 44 ILE HG1y 1.0 . 4.20 2025 1758 A 57 LEU HD2% A 44 ILE HG1x 1.0 . 4.00 2026 1758 A 57 LEU HD2% A 44 ILE HG1y 1.0 . 4.00 2027 1759 A 48 LYS HA A 48 LYS HDx 1.0 . 4.17 2028 1759 A 48 LYS HA A 48 LYS HDy 1.0 . 4.17 2029 1760 A 48 LYS HBy A 48 LYS HDx 1.0 . 3.36 2030 1760 A 48 LYS HBy A 48 LYS HDy 1.0 . 3.36 2031 1761 A 48 LYS HBy A 48 LYS HEy 1.0 . 4.79 2032 1761 A 48 LYS HBy A 48 LYS HEx 1.0 . 4.79 2033 1762 A 53 PHE HE% A 48 LYS HDx 1.0 . 3.15 2034 1762 A 53 PHE HE% A 48 LYS HDy 1.0 . 3.15 2035 1763 A 53 PHE HD% A 48 LYS HEy 1.0 . 5.34 2036 1763 A 53 PHE HD% A 48 LYS HEx 1.0 . 5.34 2037 1764 A 53 PHE HE% A 48 LYS HEy 1.0 . 3.84 2038 1764 A 53 PHE HE% A 48 LYS HEx 1.0 . 3.84 2039 1765 A 49 SER H A 54 VAL HGx% 1.0 . 3.82 2040 1765 A 49 SER H A 54 VAL HG21 1.0 . 3.82 2041 1766 A 49 SER HA A 54 VAL HGx% 1.0 . 5.00 2042 1766 A 49 SER HA A 54 VAL HG21 1.0 . 5.00 2043 1767 A 49 SER HBx A 54 VAL HGx% 1.0 . 3.41 2044 1767 A 49 SER HBy A 54 VAL HGx% 1.0 . 3.41 2045 1767 A 54 VAL HG21 A 49 SER HBx 1.0 . 3.41 2046 1767 A 49 SER HBy A 54 VAL HG21 1.0 . 3.41 2047 1768 A 51 ASN HA A 51 ASN HD2x 1.0 . 4.37 2048 1768 A 51 ASN HA A 51 ASN HD2y 1.0 . 4.37 2049 1769 A 51 ASN HD2x A 51 ASN HBy 1.0 . 2.79 2050 1769 A 51 ASN HD2x A 51 ASN HBx 1.0 . 2.79 2051 1769 A 51 ASN HD2y A 51 ASN HBy 1.0 . 2.79 2052 1769 A 51 ASN HD2y A 51 ASN HBx 1.0 . 2.79 2053 1770 A 52 ASP H A 51 ASN HBy 1.0 . 3.84 2054 1770 A 52 ASP H A 51 ASN HBx 1.0 . 3.84 2055 1771 A 51 ASN HD2x A 52 ASP H 1.0 . 4.28 2056 1771 A 51 ASN HD2y A 52 ASP H 1.0 . 4.28 2057 1772 A 52 ASP H A 54 VAL HGx% 1.0 . 3.92 2058 1772 A 52 ASP H A 54 VAL HG21 1.0 . 3.92 2059 1773 A 52 ASP HA A 54 VAL HGx% 1.0 . 4.99 2060 1773 A 52 ASP HA A 54 VAL HG21 1.0 . 4.99 2061 1774 A 52 ASP HBx A 54 VAL HGx% 1.0 . 4.55 2062 1774 A 52 ASP HBx A 54 VAL HG21 1.0 . 4.55 2063 1775 A 52 ASP HBy A 54 VAL HGx% 1.0 . 4.71 2064 1775 A 52 ASP HBy A 54 VAL HG21 1.0 . 4.71 2065 1776 A 53 PHE H A 54 VAL HGx% 1.0 . 4.27 2066 1776 A 53 PHE H A 54 VAL HG21 1.0 . 4.27 2067 1777 A 53 PHE HA A 54 VAL HGx% 1.0 . 4.77 2068 1777 A 53 PHE HA A 54 VAL HG21 1.0 . 4.77 2069 1778 A 54 VAL H A 54 VAL HGx% 1.0 . 3.04 2070 1778 A 54 VAL H A 54 VAL HG21 1.0 . 3.04 2071 1779 A 54 VAL HA A 54 VAL HGx% 1.0 . 3.11 2072 1779 A 54 VAL HA A 54 VAL HG21 1.0 . 3.11 2073 1780 A 59 LEU H A 60 PRO HDx 1.0 . 4.42 2074 1780 A 59 LEU H A 60 PRO HDy 1.0 . 4.42 2075 1781 A 59 LEU HBx A 60 PRO HDx 1.0 . 4.77 2076 1781 A 59 LEU HBx A 60 PRO HDy 1.0 . 4.77 2077 1782 A 59 LEU HBy A 60 PRO HDx 1.0 . 4.84 2078 1782 A 59 LEU HBy A 60 PRO HDy 1.0 . 4.84 2079 1783 A 59 LEU HG A 60 PRO HDx 1.0 . 5.35 2080 1783 A 59 LEU HG A 60 PRO HDy 1.0 . 5.35 2081 1784 A 59 LEU HD1% A 60 PRO HDx 1.0 . 4.54 2082 1784 A 59 LEU HD1% A 60 PRO HDy 1.0 . 4.54 2083 1785 A 61 GLU H A 60 PRO HBx 1.0 . 2.86 2084 1785 A 61 GLU H A 60 PRO HBy 1.0 . 2.86 2085 1786 A 64 HIS HE1 A 60 PRO HBx 1.0 . 5.01 2086 1786 A 64 HIS HE1 A 60 PRO HBy 1.0 . 5.01 2087 1787 A 64 HIS HE1 A 60 PRO HGx 1.0 . 3.08 2088 1787 A 64 HIS HE1 A 60 PRO HGy 1.0 . 3.08 2089 1788 A 64 HIS HE2 A 60 PRO HGx 1.0 . 5.25 2090 1788 A 64 HIS HE2 A 60 PRO HGy 1.0 . 5.25 2091 1789 A 64 HIS HE1 A 60 PRO HDx 1.0 . 3.75 2092 1789 A 64 HIS HE1 A 60 PRO HDy 1.0 . 3.75 2093 1790 A 64 HIS HE2 A 60 PRO HDx 1.0 . 5.35 2094 1790 A 64 HIS HE2 A 60 PRO HDy 1.0 . 5.35 2095 1791 A 96 VAL HGy% A 60 PRO HDx 1.0 . 5.35 2096 1791 A 96 VAL HGy% A 60 PRO HDy 1.0 . 5.35 2097 1792 A 61 GLU HA A 61 GLU HGy 1.0 . 3.63 2098 1792 A 61 GLU HA A 61 GLU HGx 1.0 . 3.63 2099 1793 A 62 GLY H A 61 GLU HGy 1.0 . 3.90 2100 1793 A 62 GLY H A 61 GLU HGx 1.0 . 3.90 2101 1794 A 97 LYS H A 61 GLU HGy 1.0 . 4.54 2102 1794 A 97 LYS H A 61 GLU HGx 1.0 . 4.54 2103 1795 A 97 LYS HA A 61 GLU HGy 1.0 . 3.71 2104 1795 A 97 LYS HA A 61 GLU HGx 1.0 . 3.71 2105 1796 A 61 GLU HGx A 98 LYS HBy 1.0 . 3.88 2106 1796 A 61 GLU HGy A 98 LYS HBy 1.0 . 3.88 2107 1796 A 98 LYS HBx A 61 GLU HGy 1.0 . 3.88 2108 1796 A 61 GLU HGx A 98 LYS HBx 1.0 . 3.88 2109 1797 A 61 GLU HGx A 98 LYS HGx 1.0 . 5.34 2110 1797 A 61 GLU HGy A 98 LYS HGx 1.0 . 5.34 2111 1797 A 98 LYS HGy A 61 GLU HGy 1.0 . 5.34 2112 1797 A 98 LYS HGy A 61 GLU HGx 1.0 . 5.34 2113 1798 A 65 GLN H A 65 GLN HGx 1.0 . 3.50 2114 1798 A 65 GLN H A 65 GLN HGy 1.0 . 3.50 2115 1799 A 65 GLN HA A 65 GLN HGx 1.0 . 3.39 2116 1799 A 65 GLN HA A 65 GLN HGy 1.0 . 3.39 2117 1800 A 66 TYR H A 65 GLN HGx 1.0 . 4.71 2118 1800 A 66 TYR H A 65 GLN HGy 1.0 . 4.71 2119 1801 A 83 VAL HGx% A 65 GLN HGx 1.0 . 4.58 2120 1801 A 83 VAL HGx% A 65 GLN HGy 1.0 . 4.58 2121 1802 A 93 LEU HA A 65 GLN HGx 1.0 . 4.39 2122 1802 A 93 LEU HA A 65 GLN HGy 1.0 . 4.39 2123 1803 A 93 LEU HD1% A 65 GLN HGx 1.0 . 3.61 2124 1803 A 93 LEU HD1% A 65 GLN HGy 1.0 . 3.61 2125 1804 A 65 GLN HE2y A 91 ASN HBy 1.0 . 4.61 2126 1804 A 65 GLN HE2y A 91 ASN HBx 1.0 . 4.61 2127 1805 A 66 TYR H A 91 ASN HBy 1.0 . 4.21 2128 1805 A 66 TYR H A 91 ASN HBx 1.0 . 4.21 2129 1806 A 66 TYR HA A 67 LYS HBx 1.0 . 4.34 2130 1806 A 66 TYR HA A 67 LYS HBy 1.0 . 4.34 2131 1807 A 66 TYR HE% A 94 ILE HG1x 1.0 . 4.67 2132 1807 A 66 TYR HE% A 94 ILE HG1y 1.0 . 4.67 2133 1808 A 68 PHE H A 67 LYS HBx 1.0 . 4.24 2134 1808 A 68 PHE H A 67 LYS HBy 1.0 . 4.24 2135 1809 A 68 PHE HE% A 77 ASP HBy 1.0 . 3.38 2136 1809 A 68 PHE HE% A 77 ASP HBx 1.0 . 3.38 2137 1810 A 70 VAL H A 69 PHE HBx 1.0 . 4.16 2138 1810 A 70 VAL H A 69 PHE HBy 1.0 . 4.16 2139 1811 A 69 PHE HE% A 72 GLY HAy 1.0 . 3.64 2140 1811 A 69 PHE HE% A 72 GLY HAx 1.0 . 3.64 2141 1812 A 69 PHE HZ A 72 GLY HAy 1.0 . 3.75 2142 1812 A 69 PHE HZ A 72 GLY HAx 1.0 . 3.75 2143 1813 A 70 VAL HGx% A 71 ASP HBx 1.0 . 3.88 2144 1813 A 70 VAL HGx% A 71 ASP HBy 1.0 . 3.88 2145 1814 A 71 ASP H A 71 ASP HBx 1.0 . 3.62 2146 1814 A 71 ASP H A 71 ASP HBy 1.0 . 3.62 2147 1815 A 71 ASP H A 72 GLY HAy 1.0 . 4.78 2148 1815 A 71 ASP H A 72 GLY HAx 1.0 . 4.78 2149 1816 A 72 GLY H A 71 ASP HBx 1.0 . 4.26 2150 1816 A 72 GLY H A 71 ASP HBy 1.0 . 4.26 2151 1817 A 73 GLN H A 73 GLN HGx 1.0 . 3.87 2152 1817 A 73 GLN H A 73 GLN HGy 1.0 . 3.87 2153 1818 A 73 GLN HA A 73 GLN HE2x 1.0 . 4.66 2154 1818 A 73 GLN HA A 73 GLN HE2y 1.0 . 4.66 2155 1819 A 73 GLN HBy A 73 GLN HE2x 1.0 . 4.23 2156 1819 A 73 GLN HBy A 73 GLN HE2y 1.0 . 4.23 2157 1820 A 73 GLN HBx A 73 GLN HE2x 1.0 . 4.71 2158 1820 A 73 GLN HBx A 73 GLN HE2y 1.0 . 4.71 2159 1821 A 73 GLN HE2x A 73 GLN HGy 1.0 . 3.13 2160 1821 A 73 GLN HE2y A 73 GLN HGx 1.0 . 3.13 2161 1821 A 73 GLN HE2y A 73 GLN HGy 1.0 . 3.13 2162 1821 A 73 GLN HE2x A 73 GLN HGx 1.0 . 3.13 2163 1822 A 74 TRP H A 73 GLN HGx 1.0 . 4.49 2164 1822 A 74 TRP H A 73 GLN HGy 1.0 . 4.49 2165 1823 A 75 VAL HGx% A 73 GLN HGx 1.0 . 4.84 2166 1823 A 75 VAL HGx% A 73 GLN HGy 1.0 . 4.84 2167 1824 A 75 VAL HGx% A 73 GLN HE2x 1.0 . 4.37 2168 1824 A 75 VAL HGx% A 73 GLN HE2y 1.0 . 4.37 2169 1825 A 77 ASP H A 77 ASP HBy 1.0 . 3.32 2170 1825 A 77 ASP H A 77 ASP HBx 1.0 . 3.32 2171 1826 A 77 ASP H A 80 GLU HBx 1.0 . 4.51 2172 1826 A 77 ASP H A 80 GLU HBy 1.0 . 4.51 2173 1827 A 79 SER H A 77 ASP HBy 1.0 . 4.11 2174 1827 A 79 SER H A 77 ASP HBx 1.0 . 4.11 2175 1828 A 80 GLU H A 77 ASP HBy 1.0 . 3.73 2176 1828 A 80 GLU H A 77 ASP HBx 1.0 . 3.73 2177 1829 A 92 ASN HD2x A 77 ASP HBy 1.0 . 5.34 2178 1829 A 92 ASN HD2x A 77 ASP HBx 1.0 . 5.34 2179 1830 A 92 ASN HD2y A 77 ASP HBy 1.0 . 5.26 2180 1830 A 92 ASN HD2y A 77 ASP HBx 1.0 . 5.26 2181 1831 A 79 SER H A 78 PRO HGx 1.0 . 3.36 2182 1831 A 79 SER H A 78 PRO HGy 1.0 . 3.36 2183 1832 A 79 SER H A 79 SER HBx 1.0 . 2.81 2184 1832 A 79 SER H A 79 SER HBy 1.0 . 2.81 2185 1833 A 80 GLU H A 79 SER HBx 1.0 . 3.28 2186 1833 A 80 GLU H A 79 SER HBy 1.0 . 3.28 2187 1834 A 80 GLU H A 80 GLU HBx 1.0 . 3.07 2188 1834 A 80 GLU H A 80 GLU HBy 1.0 . 3.07 2189 1835 A 80 GLU H A 80 GLU HGx 1.0 . 3.38 2190 1835 A 80 GLU H A 80 GLU HGy 1.0 . 3.38 2191 1836 A 80 GLU HBy A 81 PRO HDx 1.0 . 3.99 2192 1836 A 80 GLU HBx A 81 PRO HDx 1.0 . 3.99 2193 1836 A 81 PRO HDy A 80 GLU HBx 1.0 . 3.99 2194 1836 A 81 PRO HDy A 80 GLU HBy 1.0 . 3.99 2195 1837 A 92 ASN HD2x A 80 GLU HBx 1.0 . 5.16 2196 1837 A 92 ASN HD2x A 80 GLU HBy 1.0 . 5.16 2197 1838 A 92 ASN HD2y A 80 GLU HBx 1.0 . 5.34 2198 1838 A 92 ASN HD2y A 80 GLU HBy 1.0 . 5.34 2199 1839 A 93 LEU H A 80 GLU HBx 1.0 . 5.34 2200 1839 A 93 LEU H A 80 GLU HBy 1.0 . 5.34 2201 1840 A 83 VAL H A 91 ASN HBy 1.0 . 4.81 2202 1840 A 83 VAL H A 91 ASN HBx 1.0 . 4.81 2203 1841 A 83 VAL HGx% A 91 ASN HBy 1.0 . 4.15 2204 1841 A 83 VAL HGx% A 91 ASN HBx 1.0 . 4.15 2205 1842 A 83 VAL HGy% A 91 ASN HBy 1.0 . 3.62 2206 1842 A 83 VAL HGy% A 91 ASN HBx 1.0 . 3.62 2207 1843 A 84 THR HG2% A 88 GLY HAy 1.0 . 3.35 2208 1843 A 84 THR HG2% A 88 GLY HAx 1.0 . 3.35 2209 1844 A 85 SER H A 85 SER HBx 1.0 . 3.32 2210 1844 A 85 SER H A 85 SER HBy 1.0 . 3.32 2211 1845 A 85 SER H A 91 ASN HBy 1.0 . 5.34 2212 1845 A 85 SER H A 91 ASN HBx 1.0 . 5.34 2213 1846 A 87 LEU H A 85 SER HBx 1.0 . 3.27 2214 1846 A 87 LEU H A 85 SER HBy 1.0 . 3.27 2215 1847 A 89 THR H A 85 SER HBx 1.0 . 3.48 2216 1847 A 89 THR H A 85 SER HBy 1.0 . 3.48 2217 1848 A 86 GLN HE2x A 86 GLN HBy 1.0 . 4.08 2218 1848 A 86 GLN HE2y A 86 GLN HBy 1.0 . 4.08 2219 1848 A 86 GLN HE2x A 86 GLN HBx 1.0 . 4.08 2220 1848 A 86 GLN HE2y A 86 GLN HBx 1.0 . 4.08 2221 1849 A 87 LEU H A 86 GLN HBy 1.0 . 3.62 2222 1849 A 87 LEU H A 86 GLN HBx 1.0 . 3.62 2223 1850 A 88 GLY H A 86 GLN HBy 1.0 . 5.09 2224 1850 A 88 GLY H A 86 GLN HBx 1.0 . 5.09 2225 1851 A 87 LEU H A 87 LEU HBx 1.0 . 2.98 2226 1851 A 87 LEU H A 87 LEU HBy 1.0 . 2.98 2227 1852 A 87 LEU H A 87 LEU HD2% 1.0 . 3.76 2228 1852 A 87 LEU H A 87 LEU HD1% 1.0 . 3.76 2229 1853 A 87 LEU HA A 87 LEU HD2% 1.0 . 3.15 2230 1853 A 87 LEU HA A 87 LEU HD1% 1.0 . 3.15 2231 1854 A 88 GLY H A 87 LEU HBx 1.0 . 3.83 2232 1854 A 88 GLY H A 87 LEU HBy 1.0 . 3.83 2233 1855 A 89 THR H A 87 LEU HBx 1.0 . 3.82 2234 1855 A 89 THR H A 87 LEU HBy 1.0 . 3.82 2235 1856 A 89 THR HG2% A 87 LEU HBx 1.0 . 3.89 2236 1856 A 89 THR HG2% A 87 LEU HBy 1.0 . 3.89 2237 1857 A 88 GLY H A 87 LEU HD2% 1.0 . 4.94 2238 1857 A 88 GLY H A 87 LEU HD1% 1.0 . 4.94 2239 1858 A 89 THR H A 87 LEU HD2% 1.0 . 4.50 2240 1858 A 89 THR H A 87 LEU HD1% 1.0 . 4.50 2241 1859 A 89 THR HB A 87 LEU HD2% 1.0 . 4.82 2242 1859 A 89 THR HB A 87 LEU HD1% 1.0 . 4.82 2243 1860 A 89 THR HG2% A 87 LEU HD2% 1.0 . 3.34 2244 1860 A 89 THR HG2% A 87 LEU HD1% 1.0 . 3.34 2245 1861 A 90 ILE H A 90 ILE HG1x 1.0 . 3.17 2246 1861 A 90 ILE H A 90 ILE HG1y 1.0 . 3.17 2247 1862 A 90 ILE HA A 90 ILE HG1x 1.0 . 3.61 2248 1862 A 90 ILE HA A 90 ILE HG1y 1.0 . 3.61 2249 1863 A 91 ASN H A 91 ASN HBy 1.0 . 3.38 2250 1863 A 91 ASN H A 91 ASN HBx 1.0 . 3.38 2251 1864 A 92 ASN HD2x A 91 ASN HBy 1.0 . 4.95 2252 1864 A 92 ASN HD2x A 91 ASN HBx 1.0 . 4.95 2253 1865 A 92 ASN HD2y A 91 ASN HBy 1.0 . 5.34 2254 1865 A 92 ASN HD2y A 91 ASN HBx 1.0 . 5.34 2255 1866 A 93 LEU H A 91 ASN HBy 1.0 . 5.34 2256 1866 A 93 LEU H A 91 ASN HBx 1.0 . 5.34 2257 1867 A 94 ILE H A 94 ILE HG1x 1.0 . 4.49 2258 1867 A 94 ILE H A 94 ILE HG1y 1.0 . 4.49 2259 1868 A 94 ILE HA A 94 ILE HG1x 1.0 . 3.27 2260 1868 A 94 ILE HA A 94 ILE HG1y 1.0 . 3.27 2261 1869 A 94 ILE HG2% A 94 ILE HG1x 1.0 . 3.41 2262 1869 A 94 ILE HG2% A 94 ILE HG1y 1.0 . 3.41 2263 1870 A 95 HIS H A 94 ILE HG1x 1.0 . 3.38 2264 1870 A 95 HIS H A 94 ILE HG1y 1.0 . 3.38 2265 1871 A 96 VAL HGy% A 94 ILE HG1x 1.0 . 4.09 2266 1871 A 96 VAL HGy% A 94 ILE HG1y 1.0 . 4.09 2267 1872 A 96 VAL H A 97 LYS HGy 1.0 . 4.83 2268 1872 A 96 VAL H A 97 LYS HGx 1.0 . 4.83 2269 1873 A 96 VAL HA A 97 LYS HGy 1.0 . 4.65 2270 1873 A 96 VAL HA A 97 LYS HGx 1.0 . 4.65 2271 1874 A 97 LYS H A 97 LYS HGy 1.0 . 3.36 2272 1874 A 97 LYS H A 97 LYS HGx 1.0 . 3.36 2273 1875 A 97 LYS H A 97 LYS HEx 1.0 . 5.18 2274 1875 A 97 LYS H A 97 LYS HEy 1.0 . 5.18 2275 1876 A 97 LYS HA A 97 LYS HGy 1.0 . 3.35 2276 1876 A 97 LYS HA A 97 LYS HGx 1.0 . 3.35 2277 1877 A 97 LYS HA A 97 LYS HDy 1.0 . 4.48 2278 1877 A 97 LYS HA A 97 LYS HDx 1.0 . 4.48 2279 1878 A 97 LYS HBx A 97 LYS HDy 1.0 . 3.37 2280 1878 A 97 LYS HBx A 97 LYS HDx 1.0 . 3.37 2281 1879 A 97 LYS HBx A 97 LYS HEx 1.0 . 4.81 2282 1879 A 97 LYS HBx A 97 LYS HEy 1.0 . 4.81 2283 1880 A 97 LYS HBy A 97 LYS HEx 1.0 . 4.49 2284 1880 A 97 LYS HBy A 97 LYS HEy 1.0 . 4.49 2285 1881 A 97 LYS HEy A 97 LYS HGy 1.0 . 3.17 2286 1881 A 97 LYS HEx A 97 LYS HGy 1.0 . 3.17 2287 1881 A 97 LYS HGx A 97 LYS HEx 1.0 . 3.17 2288 1881 A 97 LYS HGx A 97 LYS HEy 1.0 . 3.17 2289 1882 A 98 LYS H A 98 LYS HBy 1.0 . 2.71 2290 1882 A 98 LYS H A 98 LYS HBx 1.0 . 2.71 2291 1883 A 98 LYS HBx A 98 LYS HDx 1.0 . 2.85 2292 1883 A 98 LYS HDy A 98 LYS HBy 1.0 . 2.85 2293 1883 A 98 LYS HDy A 98 LYS HBx 1.0 . 2.85 2294 1883 A 98 LYS HBy A 98 LYS HDx 1.0 . 2.85 2295 1884 A 98 LYS HBx A 98 LYS HEx 1.0 . 3.66 2296 1884 A 98 LYS HBy A 98 LYS HEx 1.0 . 3.66 2297 1884 A 98 LYS HEy A 98 LYS HBy 1.0 . 3.66 2298 1884 A 98 LYS HEy A 98 LYS HBx 1.0 . 3.66 2299 1885 A 100 ASP H A 98 LYS HBy 1.0 . 4.99 2300 1885 A 100 ASP H A 98 LYS HBx 1.0 . 4.99 2301 1886 A 101 PHE H A 98 LYS HBy 1.0 . 4.45 2302 1886 A 101 PHE H A 98 LYS HBx 1.0 . 4.45 2303 1887 A 99 SER H A 99 SER HBx 1.0 . 3.11 2304 1887 A 99 SER H A 99 SER HBy 1.0 . 3.11 2305 1888 A 99 SER HA A 102 GLU HGx 1.0 . 4.65 2306 1888 A 99 SER HA A 102 GLU HGy 1.0 . 4.65 2307 1889 A 102 GLU H A 102 GLU HBx 1.0 . 2.65 2308 1889 A 102 GLU H A 102 GLU HBy 1.0 . 2.65 2309 1890 A 102 GLU H A 102 GLU HGx 1.0 . 3.41 2310 1890 A 102 GLU H A 102 GLU HGy 1.0 . 3.41 2311 1891 A 102 GLU H A 103 VAL HGx% 1.0 . 4.31 2312 1891 A 102 GLU H A 103 VAL HG21 1.0 . 4.31 2313 1892 A 102 GLU HA A 102 GLU HGx 1.0 . 3.59 2314 1892 A 102 GLU HA A 102 GLU HGy 1.0 . 3.59 2315 1893 A 102 GLU HA A 103 VAL HGx% 1.0 . 5.44 2316 1893 A 102 GLU HA A 103 VAL HG21 1.0 . 5.44 2317 1894 A 102 GLU HBx A 102 GLU HGx 1.0 . 2.30 2318 1894 A 102 GLU HBy A 102 GLU HGx 1.0 . 2.30 2319 1894 A 102 GLU HGy A 102 GLU HBx 1.0 . 2.30 2320 1894 A 102 GLU HGy A 102 GLU HBy 1.0 . 2.30 2321 1895 A 102 GLU HBx A 103 VAL HGx% 1.0 . 4.84 2322 1895 A 103 VAL HG21 A 102 GLU HBx 1.0 . 4.84 2323 1895 A 102 GLU HBy A 103 VAL HG21 1.0 . 4.84 2324 1895 A 102 GLU HBy A 103 VAL HGx% 1.0 . 4.84 2325 1896 A 103 VAL H A 102 GLU HGx 1.0 . 3.90 2326 1896 A 103 VAL H A 102 GLU HGy 1.0 . 3.90 2327 1897 A 102 GLU HGy A 103 VAL HGx% 1.0 . 3.47 2328 1897 A 102 GLU HGx A 103 VAL HGx% 1.0 . 3.47 2329 1897 A 103 VAL HG21 A 102 GLU HGx 1.0 . 3.47 2330 1897 A 102 GLU HGy A 103 VAL HG21 1.0 . 3.47 2331 1898 A 103 VAL H A 103 VAL HGx% 1.0 . 2.80 2332 1898 A 103 VAL H A 103 VAL HG21 1.0 . 2.80 2333 1899 A 103 VAL HA A 103 VAL HGx% 1.0 . 3.10 2334 1899 A 103 VAL HA A 103 VAL HG21 1.0 . 3.10 2335 1900 A 104 PHE H A 103 VAL HGx% 1.0 . 4.08 2336 1900 A 104 PHE H A 103 VAL HG21 1.0 . 4.08 2337 1901 A 105 ASP H A 103 VAL HGx% 1.0 . 4.60 2338 1901 A 105 ASP H A 103 VAL HG21 1.0 . 4.60 2339 1902 A 105 ASP H A 105 ASP HBy 1.0 . 3.15 2340 1902 A 105 ASP H A 105 ASP HBx 1.0 . 3.15 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 17 ALA C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -140.6 -47.4 PHI 2 2 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 PRO N 1.0 81.7 182.8 PSI 3 3 A 19 PRO C A 20 THR N A 20 THR CA A 20 THR C 1.0 -163.5 -48.7 PHI 4 4 A 20 THR N A 20 THR CA A 20 THR C A 21 VAL N 1.0 114.6 156.1 PSI 5 5 A 20 THR C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -144.4 -79.7 PHI 6 6 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 ILE N 1.0 97.9 137.9 PSI 7 7 A 21 VAL C A 22 ILE N A 22 ILE CA A 22 ILE C 1.0 -142.5 -84.1 PHI 8 8 A 22 ILE N A 22 ILE CA A 22 ILE C A 23 ARG N 1.0 107.5 147.5 PSI 9 9 A 22 ILE C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -167.8 -86.7 PHI 10 10 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 TRP N 1.0 105.7 184.5 PSI 11 11 A 23 ARG C A 24 TRP N A 24 TRP CA A 24 TRP C 1.0 -150.1 -82.1 PHI 12 12 A 24 TRP N A 24 TRP CA A 24 TRP C A 25 SER N 1.0 93.8 157.2 PSI 13 13 A 24 TRP C A 25 SER N A 25 SER CA A 25 SER C 1.0 -139.4 -54.5 PHI 14 14 A 25 SER N A 25 SER CA A 25 SER C A 26 GLU N 1.0 106.1 161.4 PSI 15 15 A 26 GLU C A 27 GLY N A 27 GLY CA A 27 GLY C 1.0 55.8 123.3 PHI 16 16 A 27 GLY N A 27 GLY CA A 27 GLY C A 28 GLY N 1.0 -19.3 41.5 PSI 17 17 A 27 GLY C A 28 GLY N A 28 GLY CA A 28 GLY C 1.0 -177.3 -38.3 PHI 18 18 A 28 GLY N A 28 GLY CA A 28 GLY C A 29 LYS N 1.0 113.3 202.0 PSI 19 19 A 28 GLY C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -110.2 -70.2 PHI 20 20 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 GLU N 1.0 -50.0 1.5 PSI 21 21 A 29 LYS C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -182.0 -96.4 PHI 22 22 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 VAL N 1.0 117.0 157.0 PSI 23 23 A 30 GLU C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -141.7 -92.6 PHI 24 24 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 PHE N 1.0 107.7 148.6 PSI 25 25 A 31 VAL C A 32 PHE N A 32 PHE CA A 32 PHE C 1.0 -147.9 -107.9 PHI 26 26 A 32 PHE N A 32 PHE CA A 32 PHE C A 33 ILE N 1.0 133.4 173.4 PSI 27 27 A 32 PHE C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -175.4 -94.6 PHI 28 28 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 SER N 1.0 129.3 169.3 PSI 29 29 A 33 ILE C A 34 SER N A 34 SER CA A 34 SER C 1.0 -192.6 -102.2 PHI 30 30 A 34 SER N A 34 SER CA A 34 SER C A 35 GLY N 1.0 138.9 178.9 PSI 31 31 A 35 GLY C A 36 SER N A 36 SER CA A 36 SER C 1.0 -75.8 -35.8 PHI 32 32 A 36 SER N A 36 SER CA A 36 SER C A 37 PHE N 1.0 -61.6 0.6 PSI 33 33 A 36 SER C A 37 PHE N A 37 PHE CA A 37 PHE C 1.0 -114.0 -72.6 PHI 34 34 A 37 PHE N A 37 PHE CA A 37 PHE C A 38 ASN N 1.0 -23.8 18.1 PSI 35 35 A 39 ASN C A 40 TRP N A 40 TRP CA A 40 TRP C 1.0 39.8 79.8 PHI 36 36 A 40 TRP N A 40 TRP CA A 40 TRP C A 41 SER N 1.0 10.1 52.4 PSI 37 37 A 40 TRP C A 41 SER N A 41 SER CA A 41 SER C 1.0 -111.4 -63.0 PHI 38 38 A 41 SER N A 41 SER CA A 41 SER C A 42 THR N 1.0 -71.9 19.8 PSI 39 39 A 42 THR C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -137.3 -73.5 PHI 40 40 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 ILE N 1.0 105.5 145.5 PSI 41 41 A 43 LYS C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -171.7 -38.4 PHI 42 42 A 44 ILE N A 44 ILE CA A 44 ILE C A 45 PRO N 1.0 91.7 150.2 PSI 43 43 A 45 PRO C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -148.3 -64.4 PHI 44 44 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 ILE N 1.0 80.1 176.5 PSI 45 45 A 47 ILE C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -143.5 -42.1 PHI 46 46 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 SER N 1.0 93.3 163.3 PSI 47 47 A 48 LYS C A 49 SER N A 49 SER CA A 49 SER C 1.0 -115.3 -63.6 PHI 48 48 A 49 SER N A 49 SER CA A 49 SER C A 50 HIS N 1.0 61.3 183.4 PSI 49 49 A 49 SER C A 50 HIS N A 50 HIS CA A 50 HIS C 1.0 -81.1 -41.1 PHI 50 50 A 50 HIS N A 50 HIS CA A 50 HIS C A 51 ASN N 1.0 -47.2 -6.5 PSI 51 51 A 50 HIS C A 51 ASN N A 51 ASN CA A 51 ASN C 1.0 -109.8 -69.8 PHI 52 52 A 51 ASN N A 51 ASN CA A 51 ASN C A 52 ASP N 1.0 -54.1 33.4 PSI 53 53 A 52 ASP C A 53 PHE N A 53 PHE CA A 53 PHE C 1.0 -180.8 -77.8 PHI 54 54 A 53 PHE N A 53 PHE CA A 53 PHE C A 54 VAL N 1.0 106.6 175.2 PSI 55 55 A 53 PHE C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -160.6 -112.8 PHI 56 56 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 ALA N 1.0 110.0 184.4 PSI 57 57 A 54 VAL C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -166.5 -98.3 PHI 58 58 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 ILE N 1.0 117.7 159.4 PSI 59 59 A 55 ALA C A 56 ILE N A 56 ILE CA A 56 ILE C 1.0 -143.0 -66.1 PHI 60 60 A 56 ILE N A 56 ILE CA A 56 ILE C A 57 LEU N 1.0 101.4 155.6 PSI 61 61 A 56 ILE C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -160.7 -73.6 PHI 62 62 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 ASP N 1.0 102.2 174.7 PSI 63 63 A 57 LEU C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -126.2 -57.6 PHI 64 64 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 LEU N 1.0 97.2 163.8 PSI 65 65 A 58 ASP C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -140.9 -59.5 PHI 66 66 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 PRO N 1.0 99.4 158.8 PSI 67 67 A 62 GLY C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -146.1 -76.2 PHI 68 68 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 HIS N 1.0 107.5 165.0 PSI 69 69 A 63 GLU C A 64 HIS N A 64 HIS CA A 64 HIS C 1.0 -153.0 -106.7 PHI 70 70 A 64 HIS N A 64 HIS CA A 64 HIS C A 65 GLN N 1.0 113.6 170.3 PSI 71 71 A 64 HIS C A 65 GLN N A 65 GLN CA A 65 GLN C 1.0 -154.7 -80.8 PHI 72 72 A 65 GLN N A 65 GLN CA A 65 GLN C A 66 TYR N 1.0 122.3 170.0 PSI 73 73 A 65 GLN C A 66 TYR N A 66 TYR CA A 66 TYR C 1.0 -165.7 -125.7 PHI 74 74 A 66 TYR N A 66 TYR CA A 66 TYR C A 67 LYS N 1.0 136.3 179.0 PSI 75 75 A 66 TYR C A 67 LYS N A 67 LYS CA A 67 LYS C 1.0 -162.5 -122.5 PHI 76 76 A 67 LYS N A 67 LYS CA A 67 LYS C A 68 PHE N 1.0 115.4 181.7 PSI 77 77 A 67 LYS C A 68 PHE N A 68 PHE CA A 68 PHE C 1.0 -156.2 -83.7 PHI 78 78 A 68 PHE N A 68 PHE CA A 68 PHE C A 69 PHE N 1.0 108.4 148.4 PSI 79 79 A 68 PHE C A 69 PHE N A 69 PHE CA A 69 PHE C 1.0 -146.3 -67.9 PHI 80 80 A 69 PHE N A 69 PHE CA A 69 PHE C A 70 VAL N 1.0 105.1 146.1 PSI 81 81 A 69 PHE C A 70 VAL N A 70 VAL CA A 70 VAL C 1.0 -135.0 -81.0 PHI 82 82 A 70 VAL N A 70 VAL CA A 70 VAL C A 71 ASP N 1.0 98.2 161.6 PSI 83 83 A 71 ASP C A 72 GLY N A 72 GLY CA A 72 GLY C 1.0 55.8 103.8 PHI 84 84 A 72 GLY N A 72 GLY CA A 72 GLY C A 73 GLN N 1.0 -30.6 34.6 PSI 85 85 A 72 GLY C A 73 GLN N A 73 GLN CA A 73 GLN C 1.0 -168.1 -59.3 PHI 86 86 A 73 GLN N A 73 GLN CA A 73 GLN C A 74 TRP N 1.0 141.3 188.6 PSI 87 87 A 73 GLN C A 74 TRP N A 74 TRP CA A 74 TRP C 1.0 -121.3 -77.9 PHI 88 88 A 74 TRP N A 74 TRP CA A 74 TRP C A 75 VAL N 1.0 99.9 157.3 PSI 89 89 A 74 TRP C A 75 VAL N A 75 VAL CA A 75 VAL C 1.0 -169.7 -112.1 PHI 90 90 A 75 VAL N A 75 VAL CA A 75 VAL C A 76 HIS N 1.0 135.5 175.5 PSI 91 91 A 75 VAL C A 76 HIS N A 76 HIS CA A 76 HIS C 1.0 -168.5 -94.6 PHI 92 92 A 76 HIS N A 76 HIS CA A 76 HIS C A 77 ASP N 1.0 125.7 172.1 PSI 93 93 A 76 HIS C A 77 ASP N A 77 ASP CA A 77 ASP C 1.0 -134.8 -62.3 PHI 94 94 A 77 ASP N A 77 ASP CA A 77 ASP C A 78 PRO N 1.0 91.6 163.4 PSI 95 95 A 78 PRO C A 79 SER N A 79 SER CA A 79 SER C 1.0 -130.4 -47.3 PHI 96 96 A 79 SER N A 79 SER CA A 79 SER C A 80 GLU N 1.0 -27.8 15.9 PSI 97 97 A 81 PRO C A 82 VAL N A 82 VAL CA A 82 VAL C 1.0 -169.8 -79.4 PHI 98 98 A 82 VAL N A 82 VAL CA A 82 VAL C A 83 VAL N 1.0 141.9 181.9 PSI 99 99 A 82 VAL C A 83 VAL N A 83 VAL CA A 83 VAL C 1.0 -165.6 -116.0 PHI 100 100 A 83 VAL N A 83 VAL CA A 83 VAL C A 84 THR N 1.0 114.8 174.9 PSI 101 101 A 83 VAL C A 84 THR N A 84 THR CA A 84 THR C 1.0 -140.0 -47.9 PHI 102 102 A 84 THR N A 84 THR CA A 84 THR C A 85 SER N 1.0 101.3 152.7 PSI 103 103 A 84 THR C A 85 SER N A 85 SER CA A 85 SER C 1.0 -101.3 -51.7 PHI 104 104 A 85 SER N A 85 SER CA A 85 SER C A 86 GLN N 1.0 125.4 195.3 PSI 105 105 A 85 SER C A 86 GLN N A 86 GLN CA A 86 GLN C 1.0 -91.0 -45.1 PHI 106 106 A 86 GLN N A 86 GLN CA A 86 GLN C A 87 LEU N 1.0 -56.8 9.3 PSI 107 107 A 86 GLN C A 87 LEU N A 87 LEU CA A 87 LEU C 1.0 -113.1 -71.3 PHI 108 108 A 87 LEU N A 87 LEU CA A 87 LEU C A 88 GLY N 1.0 -24.2 25.0 PSI 109 109 A 87 LEU C A 88 GLY N A 88 GLY CA A 88 GLY C 1.0 45.3 94.5 PHI 110 110 A 88 GLY N A 88 GLY CA A 88 GLY C A 89 THR N 1.0 6.5 64.2 PSI 111 111 A 88 GLY C A 89 THR N A 89 THR CA A 89 THR C 1.0 -153.9 -92.1 PHI 112 112 A 89 THR N A 89 THR CA A 89 THR C A 90 ILE N 1.0 124.0 181.9 PSI 113 113 A 89 THR C A 90 ILE N A 90 ILE CA A 90 ILE C 1.0 -141.2 -58.4 PHI 114 114 A 90 ILE N A 90 ILE CA A 90 ILE C A 91 ASN N 1.0 101.6 162.7 PSI 115 115 A 90 ILE C A 91 ASN N A 91 ASN CA A 91 ASN C 1.0 -145.4 -75.0 PHI 116 116 A 91 ASN N A 91 ASN CA A 91 ASN C A 92 ASN N 1.0 130.0 190.4 PSI 117 117 A 91 ASN C A 92 ASN N A 92 ASN CA A 92 ASN C 1.0 -168.6 -119.3 PHI 118 118 A 92 ASN N A 92 ASN CA A 92 ASN C A 93 LEU N 1.0 119.6 171.9 PSI 119 119 A 92 ASN C A 93 LEU N A 93 LEU CA A 93 LEU C 1.0 -152.3 -111.5 PHI 120 120 A 93 LEU N A 93 LEU CA A 93 LEU C A 94 ILE N 1.0 112.9 161.9 PSI 121 121 A 93 LEU C A 94 ILE N A 94 ILE CA A 94 ILE C 1.0 -156.5 -116.5 PHI 122 122 A 94 ILE N A 94 ILE CA A 94 ILE C A 95 HIS N 1.0 109.5 149.5 PSI 123 123 A 94 ILE C A 95 HIS N A 95 HIS CA A 95 HIS C 1.0 -135.8 -73.9 PHI 124 124 A 95 HIS N A 95 HIS CA A 95 HIS C A 96 VAL N 1.0 97.6 145.0 PSI 125 125 A 95 HIS C A 96 VAL N A 96 VAL CA A 96 VAL C 1.0 -137.3 -77.3 PHI 126 126 A 96 VAL N A 96 VAL CA A 96 VAL C A 97 LYS N 1.0 98.2 144.0 PSI 127 127 A 96 VAL C A 97 LYS N A 97 LYS CA A 97 LYS C 1.0 -169.5 -52.9 PHI 128 128 A 97 LYS N A 97 LYS CA A 97 LYS C A 98 LYS N 1.0 101.4 177.0 PSI 129 129 A 97 LYS C A 98 LYS N A 98 LYS CA A 98 LYS C 1.0 -117.6 -38.1 PHI 130 130 A 98 LYS N A 98 LYS CA A 98 LYS C A 99 SER N 1.0 86.4 177.6 PSI 131 131 A 99 SER C A 100 ASP N A 100 ASP CA A 100 ASP C 1.0 -106.0 -41.2 PHI 132 132 A 100 ASP N A 100 ASP CA A 100 ASP C A 101 PHE N 1.0 -55.6 12.6 PSI stop_ save_