data_nef_c30155_5szw save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5SZW 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 HIS middle . . 3 A 3 MET middle . . 4 A 4 SER middle . . 5 A 5 ASN middle . . 6 A 6 GLY middle . false 7 A 7 TYR middle . . 8 A 8 GLU middle . . 9 A 9 ASP middle . . 10 A 10 HIS middle . . 11 A 11 MET middle . . 12 A 12 ALA middle . . 13 A 13 GLU middle . . 14 A 14 ASP middle . . 15 A 15 CYS middle . . 16 A 16 ARG middle . . 17 A 17 GLY middle . false 18 A 18 ASP middle . . 19 A 19 ILE middle . . 20 A 20 GLY middle . false 21 A 21 ARG middle . . 22 A 22 THR middle . . 23 A 23 ASN middle . . 24 A 24 LEU middle . . 25 A 25 ILE middle . . 26 A 26 VAL middle . . 27 A 27 ASN middle . . 28 A 28 TYR middle . . 29 A 29 LEU middle . . 30 A 30 PRO middle . false 31 A 31 GLN middle . . 32 A 32 ASN middle . . 33 A 33 MET middle . . 34 A 34 THR middle . . 35 A 35 GLN middle . . 36 A 36 ASP middle . . 37 A 37 GLU middle . . 38 A 38 LEU middle . . 39 A 39 ARG middle . . 40 A 40 SER middle . . 41 A 41 LEU middle . . 42 A 42 PHE middle . . 43 A 43 SER middle . . 44 A 44 SER middle . . 45 A 45 ILE middle . . 46 A 46 GLY middle . false 47 A 47 GLU middle . . 48 A 48 VAL middle . . 49 A 49 GLU middle . . 50 A 50 SER middle . . 51 A 51 ALA middle . . 52 A 52 LYS middle . . 53 A 53 LEU middle . . 54 A 54 ILE middle . . 55 A 55 ARG middle . . 56 A 56 ASP middle . . 57 A 57 LYS middle . . 58 A 58 VAL middle . . 59 A 59 ALA middle . . 60 A 60 GLY middle . false 61 A 61 HIS middle . . 62 A 62 SER middle . . 63 A 63 LEU middle . . 64 A 64 GLY middle . false 65 A 65 TYR middle . . 66 A 66 GLY middle . false 67 A 67 PHE middle . . 68 A 68 VAL middle . . 69 A 69 ASN middle . . 70 A 70 TYR middle . . 71 A 71 VAL middle . . 72 A 72 THR middle . . 73 A 73 ALA middle . . 74 A 74 LYS middle . . 75 A 75 ASP middle . . 76 A 76 ALA middle . . 77 A 77 GLU middle . . 78 A 78 ARG middle . . 79 A 79 ALA middle . . 80 A 80 ILE middle . . 81 A 81 ASN middle . . 82 A 82 THR middle . . 83 A 83 LEU middle . . 84 A 84 ASN middle . . 85 A 85 GLY middle . false 86 A 86 LEU middle . . 87 A 87 ARG middle . . 88 A 88 LEU middle . . 89 A 89 GLN middle . . 90 A 90 SER middle . . 91 A 91 LYS middle . . 92 A 92 THR middle . . 93 A 93 ILE middle . . 94 A 94 LYS middle . . 95 A 95 VAL middle . . 96 A 96 SER middle . . 97 A 97 TYR middle . . 98 A 98 ALA middle . . 99 A 99 ARG middle . . 100 A 100 PRO middle . false 101 A 101 SER end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 2 HIS C C 13 174.613 0.000 A 3 MET H H 1 8.516 0.002 A 3 MET HA H 1 4.427 0.004 A 3 MET HBx H 1 1.910 0.000 A 3 MET HBy H 1 1.980 0.000 A 3 MET HGy H 1 2.462 0.006 A 3 MET HGx H 1 2.387 0.000 A 3 MET C C 13 176.070 0.000 A 3 MET CA C 13 55.439 0.000 A 3 MET CB C 13 32.783 0.001 A 3 MET CG C 13 32.065 0.063 A 3 MET N N 15 122.481 0.038 A 4 SER H H 1 8.379 0.003 A 4 SER HA H 1 4.386 0.002 A 4 SER HB2 H 1 3.769 0.000 A 4 SER HB3 H 1 3.769 0.000 A 4 SER C C 13 174.322 0.000 A 4 SER CA C 13 58.378 0.000 A 4 SER CB C 13 63.744 0.000 A 4 SER N N 15 117.445 0.031 A 5 ASN H H 1 8.505 0.012 A 5 ASN HA H 1 4.626 0.004 A 5 ASN HB2 H 1 2.732 0.019 A 5 ASN HB3 H 1 2.732 0.019 A 5 ASN HD21 H 1 6.819 0.002 A 5 ASN HD22 H 1 7.524 0.003 A 5 ASN C C 13 175.502 0.000 A 5 ASN CA C 13 53.436 0.000 A 5 ASN CB C 13 38.635 0.187 A 5 ASN N N 15 120.765 0.045 A 5 ASN ND2 N 15 112.647 0.069 A 6 GLY H H 1 8.323 0.012 A 6 GLY HA2 H 1 3.820 0.016 A 6 GLY HA3 H 1 3.820 0.016 A 6 GLY C C 13 173.927 0.000 A 6 GLY CA C 13 45.454 0.000 A 6 GLY N N 15 108.808 0.051 A 7 TYR H H 1 7.949 0.009 A 7 TYR HA H 1 4.431 0.009 A 7 TYR HBy H 1 2.927 0.014 A 7 TYR HBx H 1 2.853 0.012 A 7 TYR HDx H 1 6.987 0.008 A 7 TYR HDy H 1 6.987 0.008 A 7 TYR C C 13 175.829 0.000 A 7 TYR CA C 13 58.251 0.113 A 7 TYR CB C 13 38.700 0.052 A 7 TYR CDx C 13 133.139 0.014 A 7 TYR CDy C 13 133.139 0.014 A 7 TYR N N 15 120.011 0.030 A 8 GLU H H 1 8.294 0.012 A 8 GLU HA H 1 4.119 0.014 A 8 GLU HB2 H 1 1.808 0.021 A 8 GLU HB3 H 1 1.808 0.021 A 8 GLU HGx H 1 2.037 0.017 A 8 GLU HGy H 1 2.093 0.013 A 8 GLU C C 13 175.803 0.000 A 8 GLU CA C 13 56.604 0.093 A 8 GLU CB C 13 30.359 0.000 A 8 GLU CG C 13 36.005 0.041 A 8 GLU N N 15 122.147 0.033 A 9 ASP H H 1 8.152 0.017 A 9 ASP HA H 1 4.430 0.003 A 9 ASP HB2 H 1 2.536 0.000 A 9 ASP HB3 H 1 2.536 0.000 A 9 ASP C C 13 176.146 0.000 A 9 ASP CA C 13 54.384 0.084 A 9 ASP CB C 13 41.479 0.000 A 9 ASP N N 15 120.902 0.018 A 10 HIS H H 1 8.293 0.017 A 10 HIS HA H 1 4.562 0.016 A 10 HIS HBx H 1 3.071 0.003 A 10 HIS HBy H 1 3.197 0.002 A 10 HIS HD2 H 1 7.114 0.009 A 10 HIS HE1 H 1 8.060 0.011 A 10 HIS C C 13 174.638 0.000 A 10 HIS CA C 13 55.619 0.072 A 10 HIS CB C 13 28.955 0.021 A 10 HIS CD2 C 13 120.049 0.101 A 10 HIS CE1 C 13 137.752 0.041 A 10 HIS N N 15 118.531 0.031 A 11 MET H H 1 8.261 0.007 A 11 MET HA H 1 4.318 0.006 A 11 MET HBx H 1 1.929 0.018 A 11 MET HBy H 1 1.958 0.017 A 11 MET HE% H 1 1.976 0.010 A 11 MET HGx H 1 2.400 0.014 A 11 MET HGy H 1 2.475 0.011 A 11 MET C C 13 176.068 0.000 A 11 MET CA C 13 55.823 0.025 A 11 MET CB C 13 32.721 0.101 A 11 MET CE C 13 17.024 0.151 A 11 MET CG C 13 32.046 0.026 A 11 MET N N 15 120.928 0.081 A 12 ALA H H 1 8.216 0.008 A 12 ALA HA H 1 4.215 0.011 A 12 ALA HB% H 1 1.319 0.011 A 12 ALA C C 13 177.854 0.000 A 12 ALA CA C 13 52.618 0.069 A 12 ALA CB C 13 19.315 0.144 A 12 ALA N N 15 124.756 0.038 A 13 GLU H H 1 8.279 0.006 A 13 GLU HA H 1 4.132 0.016 A 13 GLU HBy H 1 1.970 0.000 A 13 GLU HBx H 1 1.874 0.016 A 13 GLU HGy H 1 2.186 0.018 A 13 GLU HGx H 1 2.104 0.018 A 13 GLU CA C 13 56.808 0.069 A 13 GLU CB C 13 30.024 0.001 A 13 GLU CG C 13 36.077 0.066 A 13 GLU N N 15 119.683 0.034 A 14 ASP H H 1 8.266 0.007 A 14 ASP HA H 1 4.528 0.013 A 14 ASP HB2 H 1 2.603 0.017 A 14 ASP HB3 H 1 2.603 0.017 A 14 ASP C C 13 176.392 0.002 A 14 ASP CA C 13 54.310 0.039 A 14 ASP CB C 13 41.028 0.002 A 14 ASP N N 15 120.665 0.053 A 15 CYS H H 1 8.210 0.008 A 15 CYS HA H 1 4.437 0.005 A 15 CYS HB2 H 1 2.870 0.013 A 15 CYS HB3 H 1 2.870 0.013 A 15 CYS C C 13 174.874 0.000 A 15 CYS CA C 13 58.537 0.049 A 15 CYS CB C 13 27.700 0.073 A 15 CYS N N 15 119.450 0.040 A 16 ARG H H 1 8.246 0.012 A 16 ARG HA H 1 4.219 0.013 A 16 ARG HBy H 1 1.806 0.014 A 16 ARG HBx H 1 1.748 0.020 A 16 ARG HD2 H 1 3.119 0.016 A 16 ARG HD3 H 1 3.119 0.016 A 16 ARG HGx H 1 1.561 0.021 A 16 ARG HGy H 1 1.611 0.009 A 16 ARG C C 13 176.890 0.000 A 16 ARG CA C 13 56.710 0.035 A 16 ARG CB C 13 30.176 0.155 A 16 ARG CD C 13 43.340 0.061 A 16 ARG CG C 13 26.953 0.106 A 16 ARG N N 15 122.548 0.042 A 17 GLY H H 1 8.273 0.011 A 17 GLY HA2 H 1 3.840 0.008 A 17 GLY HA3 H 1 3.840 0.008 A 17 GLY C C 13 173.825 0.000 A 17 GLY CA C 13 45.365 0.000 A 17 GLY N N 15 108.957 0.062 A 18 ASP H H 1 8.204 0.010 A 18 ASP HA H 1 4.518 0.019 A 18 ASP HB2 H 1 2.527 0.011 A 18 ASP HB3 H 1 2.527 0.011 A 18 ASP C C 13 176.451 0.000 A 18 ASP CA C 13 54.317 0.057 A 18 ASP CB C 13 41.051 0.031 A 18 ASP N N 15 120.426 0.058 A 19 ILE H H 1 7.867 0.006 A 19 ILE HA H 1 4.150 0.003 A 19 ILE HB H 1 1.859 0.010 A 19 ILE HD1% H 1 0.752 0.002 A 19 ILE HG1y H 1 1.347 0.018 A 19 ILE HG1x H 1 1.098 0.011 A 19 ILE HG2% H 1 0.808 0.005 A 19 ILE C C 13 176.776 0.000 A 19 ILE CA C 13 61.424 0.023 A 19 ILE CB C 13 38.470 0.017 A 19 ILE CD1 C 13 13.210 0.087 A 19 ILE CG1 C 13 26.981 0.115 A 19 ILE CG2 C 13 17.613 0.036 A 19 ILE N N 15 119.858 0.024 A 20 GLY H H 1 8.419 0.005 A 20 GLY HA2 H 1 3.834 0.009 A 20 GLY HA3 H 1 3.834 0.008 A 20 GLY C C 13 174.335 0.000 A 20 GLY CA C 13 45.579 0.039 A 20 GLY N N 15 111.356 0.023 A 21 ARG H H 1 8.031 0.008 A 21 ARG HA H 1 4.297 0.013 A 21 ARG HBx H 1 1.488 0.012 A 21 ARG HBy H 1 1.843 0.012 A 21 ARG HDx H 1 2.749 0.010 A 21 ARG HDy H 1 2.885 0.009 A 21 ARG HG2 H 1 1.480 0.013 A 21 ARG HG3 H 1 1.480 0.012 A 21 ARG C C 13 176.315 0.000 A 21 ARG CA C 13 57.028 0.000 A 21 ARG CB C 13 31.372 0.115 A 21 ARG CD C 13 43.209 0.111 A 21 ARG CG C 13 26.994 0.116 A 21 ARG N N 15 119.992 0.035 A 22 THR H H 1 8.082 0.006 A 22 THR HA H 1 4.405 0.002 A 22 THR HB H 1 4.818 0.008 A 22 THR HG2% H 1 0.803 0.003 A 22 THR C C 13 174.114 0.000 A 22 THR CA C 13 61.880 0.139 A 22 THR CB C 13 69.869 0.068 A 22 THR CG2 C 13 20.900 0.068 A 22 THR N N 15 108.685 0.057 A 23 ASN H H 1 7.791 0.003 A 23 ASN HA H 1 5.469 0.005 A 23 ASN HBy H 1 2.858 0.012 A 23 ASN HBx H 1 2.789 0.013 A 23 ASN HD21 H 1 7.267 0.003 A 23 ASN HD22 H 1 6.262 0.008 A 23 ASN C C 13 174.999 0.000 A 23 ASN CA C 13 53.691 0.052 A 23 ASN CB C 13 40.020 0.113 A 23 ASN N N 15 120.362 0.026 A 23 ASN ND2 N 15 110.102 0.028 A 24 LEU H H 1 9.658 0.004 A 24 LEU HA H 1 5.202 0.009 A 24 LEU HBy H 1 1.821 0.014 A 24 LEU HBx H 1 1.215 0.012 A 24 LEU HDx% H 1 1.001 0.007 A 24 LEU HDy% H 1 0.479 0.008 A 24 LEU HG H 1 1.890 0.012 A 24 LEU C C 13 176.299 0.000 A 24 LEU CA C 13 53.628 0.101 A 24 LEU CB C 13 44.341 0.100 A 24 LEU CDy C 13 27.512 0.115 A 24 LEU CDx C 13 24.259 0.070 A 24 LEU CG C 13 26.832 0.127 A 24 LEU N N 15 127.068 0.031 A 25 ILE H H 1 9.150 0.008 A 25 ILE HA H 1 4.820 0.007 A 25 ILE HB H 1 1.497 0.005 A 25 ILE HD1% H 1 0.628 0.011 A 25 ILE HG1x H 1 0.678 0.019 A 25 ILE HG1y H 1 1.047 0.013 A 25 ILE HG2% H 1 0.702 0.006 A 25 ILE C C 13 173.284 0.000 A 25 ILE CA C 13 58.872 0.066 A 25 ILE CB C 13 41.037 0.042 A 25 ILE CD1 C 13 13.790 0.030 A 25 ILE CG1 C 13 28.139 0.094 A 25 ILE CG2 C 13 15.340 0.056 A 25 ILE N N 15 121.121 0.032 A 26 VAL H H 1 8.647 0.011 A 26 VAL HA H 1 5.059 0.007 A 26 VAL HB H 1 1.576 0.016 A 26 VAL HGx% H 1 0.805 0.011 A 26 VAL HGy% H 1 0.523 0.009 A 26 VAL C C 13 173.899 0.000 A 26 VAL CA C 13 59.110 0.083 A 26 VAL CB C 13 33.561 0.067 A 26 VAL CGx C 13 21.643 0.062 A 26 VAL CGy C 13 21.667 0.086 A 26 VAL N N 15 128.017 0.031 A 27 ASN H H 1 9.120 0.005 A 27 ASN HA H 1 5.022 0.010 A 27 ASN HBy H 1 1.803 0.015 A 27 ASN HBx H 1 1.692 0.006 A 27 ASN HD21 H 1 7.142 0.004 A 27 ASN HD22 H 1 6.124 0.004 A 27 ASN C C 13 173.355 0.000 A 27 ASN CA C 13 51.531 0.124 A 27 ASN CB C 13 42.887 0.057 A 27 ASN N N 15 123.723 0.031 A 27 ASN ND2 N 15 109.361 0.061 A 28 TYR H H 1 8.328 0.008 A 28 TYR HA H 1 4.328 0.012 A 28 TYR HBy H 1 3.656 0.013 A 28 TYR HBx H 1 2.995 0.008 A 28 TYR HDx H 1 7.129 0.015 A 28 TYR HDy H 1 7.129 0.015 A 28 TYR C C 13 173.934 0.000 A 28 TYR CA C 13 57.079 0.133 A 28 TYR CB C 13 34.427 0.099 A 28 TYR CDx C 13 133.202 0.093 A 28 TYR CDy C 13 133.202 0.093 A 28 TYR N N 15 114.478 0.023 A 29 LEU H H 1 7.828 0.006 A 29 LEU HA H 1 4.236 0.012 A 29 LEU HBx H 1 1.035 0.011 A 29 LEU HBy H 1 1.284 0.015 A 29 LEU HDx% H 1 0.737 0.011 A 29 LEU HDy% H 1 0.458 0.014 A 29 LEU CA C 13 52.588 0.063 A 29 LEU CB C 13 41.517 0.056 A 29 LEU CDx C 13 22.163 0.074 A 29 LEU CDy C 13 26.196 0.105 A 29 LEU N N 15 114.273 0.045 A 30 PRO HA H 1 4.331 0.006 A 30 PRO HBx H 1 1.853 0.018 A 30 PRO HBy H 1 2.333 0.014 A 30 PRO HDy H 1 3.689 0.010 A 30 PRO HDx H 1 3.554 0.017 A 30 PRO HG2 H 1 2.010 0.004 A 30 PRO HG3 H 1 2.010 0.004 A 30 PRO C C 13 178.554 0.000 A 30 PRO CA C 13 63.011 0.115 A 30 PRO CB C 13 32.235 0.083 A 30 PRO CD C 13 50.045 0.078 A 30 PRO CG C 13 28.222 0.171 A 31 GLN H H 1 9.025 0.003 A 31 GLN HA H 1 3.813 0.005 A 31 GLN HB2 H 1 2.050 0.015 A 31 GLN HB3 H 1 2.055 0.009 A 31 GLN HE21 H 1 6.910 0.004 A 31 GLN HE22 H 1 7.525 0.001 A 31 GLN HG2 H 1 2.351 0.009 A 31 GLN HG3 H 1 2.351 0.009 A 31 GLN C C 13 175.553 0.000 A 31 GLN CA C 13 58.958 0.094 A 31 GLN CB C 13 28.943 0.081 A 31 GLN CG C 13 34.300 0.143 A 31 GLN N N 15 124.798 0.042 A 31 GLN NE2 N 15 112.008 0.082 A 32 ASN H H 1 8.205 0.004 A 32 ASN HA H 1 4.619 0.004 A 32 ASN HBy H 1 2.931 0.006 A 32 ASN HBx H 1 2.729 0.010 A 32 ASN HD21 H 1 7.514 0.001 A 32 ASN HD22 H 1 6.881 0.007 A 32 ASN C C 13 175.527 0.000 A 32 ASN CA C 13 52.355 0.112 A 32 ASN CB C 13 37.765 0.066 A 32 ASN N N 15 112.513 0.024 A 32 ASN ND2 N 15 112.004 0.033 A 33 MET H H 1 7.205 0.007 A 33 MET HA H 1 4.469 0.006 A 33 MET HB2 H 1 1.858 0.009 A 33 MET HB3 H 1 1.855 0.008 A 33 MET HE% H 1 1.901 0.010 A 33 MET HGy H 1 2.720 0.005 A 33 MET HGx H 1 2.516 0.006 A 33 MET C C 13 176.508 0.000 A 33 MET CA C 13 56.608 0.061 A 33 MET CB C 13 33.875 0.039 A 33 MET CE C 13 17.618 0.059 A 33 MET CG C 13 32.603 0.046 A 33 MET N N 15 121.623 0.114 A 34 THR H H 1 8.523 0.005 A 34 THR HA H 1 4.428 0.013 A 34 THR HB H 1 4.692 0.011 A 34 THR HG2% H 1 1.236 0.004 A 34 THR C C 13 175.370 0.000 A 34 THR CA C 13 60.375 0.024 A 34 THR CB C 13 71.510 0.000 A 34 THR CG2 C 13 21.759 0.137 A 34 THR N N 15 118.468 0.018 A 35 GLN H H 1 9.163 0.003 A 35 GLN HA H 1 3.667 0.007 A 35 GLN HB2 H 1 2.123 0.010 A 35 GLN HB3 H 1 2.123 0.010 A 35 GLN HE21 H 1 6.950 0.009 A 35 GLN HE22 H 1 7.678 0.008 A 35 GLN HGy H 1 2.363 0.011 A 35 GLN HGx H 1 1.951 0.009 A 35 GLN C C 13 177.286 0.000 A 35 GLN CA C 13 60.174 0.079 A 35 GLN CB C 13 29.712 0.079 A 35 GLN CG C 13 35.082 0.117 A 35 GLN N N 15 121.485 0.108 A 35 GLN NE2 N 15 112.432 0.065 A 36 ASP H H 1 8.329 0.011 A 36 ASP HA H 1 4.362 0.009 A 36 ASP HBy H 1 2.565 0.016 A 36 ASP HBx H 1 2.516 0.011 A 36 ASP C C 13 178.970 0.000 A 36 ASP CA C 13 57.239 0.079 A 36 ASP CB C 13 40.596 0.074 A 36 ASP N N 15 118.062 0.032 A 37 GLU H H 1 7.624 0.009 A 37 GLU HA H 1 3.950 0.003 A 37 GLU HBy H 1 2.281 0.011 A 37 GLU HBx H 1 1.836 0.017 A 37 GLU HGx H 1 2.210 0.004 A 37 GLU HGy H 1 2.275 0.008 A 37 GLU C C 13 179.487 0.000 A 37 GLU CA C 13 58.991 0.082 A 37 GLU CB C 13 30.326 0.180 A 37 GLU CG C 13 37.147 0.042 A 37 GLU N N 15 121.439 0.023 A 38 LEU H H 1 8.142 0.014 A 38 LEU HA H 1 4.036 0.015 A 38 LEU HBx H 1 1.319 0.022 A 38 LEU HBy H 1 2.059 0.012 A 38 LEU HDx% H 1 0.746 0.010 A 38 LEU HDy% H 1 0.434 0.010 A 38 LEU HG H 1 1.140 0.019 A 38 LEU C C 13 177.637 0.000 A 38 LEU CA C 13 58.497 0.145 A 38 LEU CB C 13 41.671 0.027 A 38 LEU CDx C 13 24.225 0.104 A 38 LEU CDy C 13 25.941 0.103 A 38 LEU CG C 13 27.094 0.143 A 38 LEU N N 15 122.938 0.047 A 39 ARG H H 1 8.267 0.008 A 39 ARG HA H 1 3.485 0.005 A 39 ARG HBx H 1 1.770 0.018 A 39 ARG HBy H 1 2.006 0.012 A 39 ARG HD2 H 1 3.174 0.011 A 39 ARG HD3 H 1 3.174 0.011 A 39 ARG HGx H 1 1.262 0.007 A 39 ARG HGy H 1 1.507 0.013 A 39 ARG C C 13 179.224 0.000 A 39 ARG CA C 13 60.560 0.030 A 39 ARG CB C 13 29.871 0.176 A 39 ARG CD C 13 42.898 0.090 A 39 ARG CG C 13 27.604 0.279 A 39 ARG N N 15 118.144 0.032 A 40 SER H H 1 8.485 0.002 A 40 SER C C 13 176.942 0.000 A 40 SER N N 15 116.148 0.068 A 41 LEU H H 1 8.019 0.003 A 41 LEU HA H 1 4.106 0.008 A 41 LEU HBx H 1 1.604 0.011 A 41 LEU HBy H 1 1.972 0.013 A 41 LEU HDx% H 1 0.675 0.013 A 41 LEU HDy% H 1 0.683 0.007 A 41 LEU HG H 1 0.982 0.014 A 41 LEU C C 13 179.144 0.000 A 41 LEU CA C 13 58.142 0.078 A 41 LEU CB C 13 41.646 0.027 A 41 LEU CDy C 13 25.682 0.000 A 41 LEU CDx C 13 22.021 0.069 A 41 LEU CG C 13 26.152 0.199 A 41 LEU N N 15 122.746 0.036 A 42 PHE H H 1 7.852 0.012 A 42 PHE HA H 1 3.950 0.013 A 42 PHE HBx H 1 2.640 0.010 A 42 PHE HBy H 1 3.023 0.010 A 42 PHE HDx H 1 7.811 0.013 A 42 PHE HDy H 1 7.811 0.013 A 42 PHE HEx H 1 6.538 0.013 A 42 PHE HEy H 1 6.538 0.013 A 42 PHE HZ H 1 6.920 0.010 A 42 PHE C C 13 179.877 0.000 A 42 PHE CA C 13 61.703 0.097 A 42 PHE CB C 13 37.840 0.092 A 42 PHE CDx C 13 132.370 0.077 A 42 PHE CDy C 13 132.370 0.077 A 42 PHE CEx C 13 133.259 0.155 A 42 PHE CEy C 13 133.259 0.155 A 42 PHE CZ C 13 129.968 0.172 A 42 PHE N N 15 116.763 0.032 A 43 SER H H 1 8.924 0.004 A 43 SER HA H 1 5.200 0.002 A 43 SER HBx H 1 3.919 0.006 A 43 SER HBy H 1 4.101 0.013 A 43 SER C C 13 174.410 0.000 A 43 SER CA C 13 60.790 0.119 A 43 SER CB C 13 62.911 0.151 A 43 SER N N 15 121.383 0.063 A 44 SER H H 1 7.282 0.005 A 44 SER HA H 1 4.141 0.009 A 44 SER HBy H 1 3.912 0.013 A 44 SER HBx H 1 3.859 0.012 A 44 SER C C 13 174.898 0.000 A 44 SER CA C 13 60.810 0.046 A 44 SER CB C 13 62.873 0.142 A 44 SER N N 15 115.753 0.072 A 45 ILE H H 1 7.064 0.007 A 45 ILE HA H 1 3.961 0.012 A 45 ILE HB H 1 2.055 0.008 A 45 ILE HD1% H 1 0.529 0.013 A 45 ILE HG1y H 1 1.443 0.015 A 45 ILE HG1x H 1 1.177 0.013 A 45 ILE HG2% H 1 0.639 0.008 A 45 ILE C C 13 175.540 0.000 A 45 ILE CA C 13 60.217 0.044 A 45 ILE CB C 13 37.609 0.039 A 45 ILE CD1 C 13 9.463 0.042 A 45 ILE CG1 C 13 27.336 0.113 A 45 ILE CG2 C 13 17.696 0.034 A 45 ILE N N 15 120.016 0.035 A 46 GLY H H 1 7.102 0.012 A 46 GLY HA2 H 1 3.956 0.004 A 46 GLY HA3 H 1 3.952 0.009 A 46 GLY C C 13 171.011 0.000 A 46 GLY CA C 13 44.592 0.031 A 46 GLY N N 15 104.593 0.059 A 47 GLU H H 1 8.182 0.005 A 47 GLU HA H 1 4.182 0.005 A 47 GLU HB2 H 1 1.968 0.012 A 47 GLU HB3 H 1 1.971 0.010 A 47 GLU HGx H 1 2.100 0.001 A 47 GLU HGy H 1 2.274 0.009 A 47 GLU C C 13 176.616 0.000 A 47 GLU CA C 13 57.950 0.058 A 47 GLU CB C 13 29.860 0.070 A 47 GLU CG C 13 36.085 0.037 A 47 GLU N N 15 117.160 0.039 A 48 VAL H H 1 8.905 0.006 A 48 VAL HA H 1 3.669 0.008 A 48 VAL HB H 1 1.739 0.009 A 48 VAL HGx% H 1 0.532 0.009 A 48 VAL HGy% H 1 0.432 0.007 A 48 VAL C C 13 175.651 0.000 A 48 VAL CA C 13 62.071 0.109 A 48 VAL CB C 13 33.855 0.058 A 48 VAL CGx C 13 22.254 0.115 A 48 VAL CGy C 13 22.576 0.062 A 48 VAL N N 15 129.092 0.036 A 49 GLU H H 1 9.164 0.005 A 49 GLU HA H 1 4.051 0.013 A 49 GLU HBx H 1 1.592 0.006 A 49 GLU HBy H 1 1.920 0.009 A 49 GLU HGy H 1 2.277 0.006 A 49 GLU HGx H 1 2.075 0.012 A 49 GLU C C 13 176.281 0.000 A 49 GLU CA C 13 58.564 0.093 A 49 GLU CB C 13 29.787 0.080 A 49 GLU CG C 13 35.871 0.100 A 49 GLU N N 15 130.869 0.056 A 50 SER H H 1 7.576 0.002 A 50 SER HA H 1 4.344 0.007 A 50 SER HBx H 1 3.558 0.003 A 50 SER HBy H 1 3.799 0.002 A 50 SER C C 13 171.673 0.000 A 50 SER CA C 13 57.593 0.147 A 50 SER CB C 13 64.890 0.087 A 50 SER N N 15 109.231 0.031 A 51 ALA H H 1 8.086 0.010 A 51 ALA HA H 1 5.018 0.005 A 51 ALA HB% H 1 1.005 0.007 A 51 ALA C C 13 174.823 0.000 A 51 ALA CA C 13 50.914 0.134 A 51 ALA CB C 13 20.806 0.083 A 51 ALA N N 15 123.120 0.044 A 52 LYS H H 1 8.904 0.009 A 52 LYS HA H 1 4.563 0.008 A 52 LYS HBx H 1 1.588 0.016 A 52 LYS HBy H 1 1.685 0.005 A 52 LYS HDy H 1 1.239 0.016 A 52 LYS HDx H 1 1.236 0.014 A 52 LYS HE2 H 1 2.815 0.005 A 52 LYS HE3 H 1 2.815 0.005 A 52 LYS HG2 H 1 1.556 0.005 A 52 LYS HG3 H 1 1.556 0.005 A 52 LYS C C 13 173.842 0.000 A 52 LYS CA C 13 54.345 0.018 A 52 LYS CB C 13 36.260 0.138 A 52 LYS CD C 13 24.445 0.090 A 52 LYS CE C 13 42.087 0.120 A 52 LYS CG C 13 29.273 0.024 A 52 LYS N N 15 122.469 0.029 A 53 LEU H H 1 8.671 0.009 A 53 LEU HA H 1 4.341 0.009 A 53 LEU HBx H 1 0.990 0.008 A 53 LEU HBy H 1 1.649 0.009 A 53 LEU HDx% H 1 0.615 0.011 A 53 LEU HDy% H 1 0.660 0.020 A 53 LEU HG H 1 1.259 0.017 A 53 LEU C C 13 175.592 0.000 A 53 LEU CA C 13 53.870 0.034 A 53 LEU CB C 13 44.816 0.059 A 53 LEU CDx C 13 24.347 0.021 A 53 LEU CDy C 13 25.682 0.000 A 53 LEU CG C 13 27.293 0.061 A 53 LEU N N 15 126.565 0.043 A 54 ILE H H 1 8.225 0.009 A 54 ILE HA H 1 4.006 0.013 A 54 ILE HB H 1 0.985 0.016 A 54 ILE HD1% H 1 0.605 0.013 A 54 ILE HG12 H 1 1.077 0.016 A 54 ILE HG13 H 1 1.070 0.002 A 54 ILE HG2% H 1 0.690 0.004 A 54 ILE C C 13 174.321 0.000 A 54 ILE CA C 13 59.565 0.101 A 54 ILE CB C 13 34.295 0.073 A 54 ILE CD1 C 13 8.973 0.030 A 54 ILE CG1 C 13 26.953 0.093 A 54 ILE CG2 C 13 17.630 0.057 A 54 ILE N N 15 127.501 0.037 A 55 ARG H H 1 8.077 0.002 A 55 ARG HA H 1 4.794 0.012 A 55 ARG HB2 H 1 1.396 0.011 A 55 ARG HB3 H 1 1.392 0.013 A 55 ARG HD2 H 1 3.099 0.005 A 55 ARG HD3 H 1 3.097 0.006 A 55 ARG HG2 H 1 1.223 0.018 A 55 ARG HG3 H 1 1.228 0.012 A 55 ARG C C 13 175.777 0.000 A 55 ARG CA C 13 53.894 0.012 A 55 ARG CB C 13 33.540 0.063 A 55 ARG CD C 13 43.067 0.141 A 55 ARG CG C 13 27.493 0.091 A 55 ARG N N 15 125.006 0.019 A 56 ASP H H 1 8.540 0.006 A 56 ASP HA H 1 4.451 0.004 A 56 ASP HBy H 1 2.422 0.013 A 56 ASP HBx H 1 2.345 0.015 A 56 ASP C C 13 176.991 0.000 A 56 ASP CA C 13 54.193 0.067 A 56 ASP CB C 13 42.735 0.029 A 56 ASP N N 15 121.881 0.073 A 57 LYS H H 1 8.632 0.008 A 57 LYS HA H 1 4.052 0.014 A 57 LYS HBx H 1 1.774 0.010 A 57 LYS HBy H 1 1.823 0.013 A 57 LYS HD2 H 1 1.619 0.011 A 57 LYS HD3 H 1 1.618 0.011 A 57 LYS HE2 H 1 2.920 0.015 A 57 LYS HE3 H 1 2.920 0.015 A 57 LYS HG2 H 1 1.397 0.020 A 57 LYS HG3 H 1 1.396 0.022 A 57 LYS C C 13 176.755 0.000 A 57 LYS CA C 13 58.019 0.118 A 57 LYS CB C 13 32.752 0.121 A 57 LYS CD C 13 28.933 0.119 A 57 LYS CE C 13 40.907 0.000 A 57 LYS CG C 13 24.723 0.184 A 57 LYS N N 15 124.141 0.039 A 58 VAL H H 1 8.084 0.004 A 58 VAL HA H 1 3.860 0.003 A 58 VAL HB H 1 2.012 0.010 A 58 VAL HGx% H 1 0.853 0.010 A 58 VAL HGy% H 1 0.891 0.010 A 58 VAL C C 13 176.856 0.000 A 58 VAL CA C 13 64.405 0.050 A 58 VAL CB C 13 32.451 0.118 A 58 VAL CGx C 13 20.824 0.029 A 58 VAL CGy C 13 21.642 0.043 A 58 VAL N N 15 119.864 0.019 A 59 ALA H H 1 8.779 0.007 A 59 ALA HA H 1 4.301 0.012 A 59 ALA HB% H 1 1.322 0.008 A 59 ALA C C 13 178.827 0.000 A 59 ALA CA C 13 52.386 0.043 A 59 ALA CB C 13 19.684 0.113 A 59 ALA N N 15 122.914 0.060 A 60 GLY H H 1 7.764 0.010 A 60 GLY HAy H 1 3.989 0.016 A 60 GLY HAx H 1 3.772 0.013 A 60 GLY C C 13 174.316 0.000 A 60 GLY CA C 13 45.949 0.175 A 60 GLY N N 15 105.850 0.018 A 61 HIS H H 1 7.708 0.013 A 61 HIS HA H 1 4.703 0.012 A 61 HIS HB2 H 1 3.145 0.010 A 61 HIS HB3 H 1 3.145 0.010 A 61 HIS HD2 H 1 6.991 0.013 A 61 HIS HE1 H 1 8.198 0.002 A 61 HIS C C 13 174.724 0.000 A 61 HIS CA C 13 54.806 0.000 A 61 HIS CB C 13 30.416 0.056 A 61 HIS CD2 C 13 119.726 0.044 A 61 HIS CE1 C 13 137.076 0.036 A 61 HIS N N 15 117.545 0.046 A 62 SER H H 1 8.836 0.003 A 62 SER HA H 1 4.284 0.014 A 62 SER HB2 H 1 3.974 0.009 A 62 SER HB3 H 1 3.974 0.009 A 62 SER C C 13 176.203 0.000 A 62 SER CA C 13 58.359 0.061 A 62 SER CB C 13 64.180 0.058 A 62 SER N N 15 115.275 0.051 A 63 LEU H H 1 8.976 0.005 A 63 LEU HA H 1 4.603 0.005 A 63 LEU HBy H 1 1.782 0.008 A 63 LEU HBx H 1 1.415 0.019 A 63 LEU HDx% H 1 0.897 0.006 A 63 LEU HDy% H 1 0.869 0.015 A 63 LEU HG H 1 1.472 0.014 A 63 LEU C C 13 178.274 0.000 A 63 LEU CA C 13 54.663 0.067 A 63 LEU CB C 13 41.704 0.071 A 63 LEU CDx C 13 23.026 0.059 A 63 LEU CDy C 13 25.902 0.113 A 63 LEU CG C 13 26.460 0.000 A 63 LEU N N 15 125.759 0.031 A 64 GLY H H 1 9.109 0.008 A 64 GLY HAx H 1 3.521 0.005 A 64 GLY HAy H 1 4.036 0.007 A 64 GLY C C 13 171.979 0.000 A 64 GLY CA C 13 46.067 0.088 A 64 GLY N N 15 108.121 0.047 A 65 TYR H H 1 7.361 0.007 A 65 TYR HA H 1 5.193 0.008 A 65 TYR HBy H 1 3.025 0.020 A 65 TYR HBx H 1 2.966 0.020 A 65 TYR HDx H 1 6.525 0.004 A 65 TYR HDy H 1 6.525 0.004 A 65 TYR C C 13 172.274 0.000 A 65 TYR CA C 13 54.975 0.072 A 65 TYR CB C 13 40.708 0.055 A 65 TYR CDx C 13 133.228 0.043 A 65 TYR CDy C 13 133.228 0.043 A 65 TYR N N 15 113.628 0.079 A 66 GLY H H 1 8.596 0.015 A 66 GLY HAx H 1 3.640 0.012 A 66 GLY HAy H 1 4.258 0.015 A 66 GLY C C 13 169.920 0.000 A 66 GLY CA C 13 44.986 0.100 A 66 GLY N N 15 104.947 0.030 A 67 PHE H H 1 8.713 0.010 A 67 PHE HA H 1 5.542 0.004 A 67 PHE HBy H 1 3.203 0.013 A 67 PHE HBx H 1 2.469 0.007 A 67 PHE HDx H 1 7.017 0.011 A 67 PHE HDy H 1 7.017 0.011 A 67 PHE HEx H 1 7.276 0.010 A 67 PHE HEy H 1 7.276 0.010 A 67 PHE C C 13 175.686 0.000 A 67 PHE CA C 13 56.035 0.055 A 67 PHE CB C 13 42.663 0.068 A 67 PHE CDx C 13 131.265 0.109 A 67 PHE CDy C 13 131.265 0.109 A 67 PHE CEx C 13 131.461 0.033 A 67 PHE CEy C 13 131.461 0.033 A 67 PHE N N 15 116.557 0.058 A 68 VAL H H 1 8.575 0.008 A 68 VAL HA H 1 4.259 0.010 A 68 VAL HB H 1 1.152 0.011 A 68 VAL HGx% H 1 -0.167 0.005 A 68 VAL HGy% H 1 0.264 0.008 A 68 VAL C C 13 172.431 0.000 A 68 VAL CA C 13 61.356 0.120 A 68 VAL CB C 13 35.632 0.097 A 68 VAL CGx C 13 19.686 0.065 A 68 VAL CGy C 13 21.146 0.084 A 68 VAL N N 15 122.931 0.090 A 69 ASN H H 1 8.747 0.009 A 69 ASN HA H 1 5.783 0.007 A 69 ASN HBx H 1 2.567 0.011 A 69 ASN HBy H 1 2.759 0.010 A 69 ASN HD21 H 1 7.680 0.013 A 69 ASN HD22 H 1 6.457 0.009 A 69 ASN C C 13 175.839 0.000 A 69 ASN CA C 13 51.238 0.020 A 69 ASN CB C 13 40.368 0.096 A 69 ASN N N 15 125.329 0.056 A 69 ASN ND2 N 15 112.601 0.039 A 70 TYR H H 1 8.564 0.007 A 70 TYR HA H 1 4.503 0.006 A 70 TYR HBy H 1 3.641 0.017 A 70 TYR HBx H 1 2.653 0.011 A 70 TYR HDx H 1 7.078 0.012 A 70 TYR HDy H 1 7.078 0.012 A 70 TYR C C 13 174.582 0.000 A 70 TYR CA C 13 60.627 0.127 A 70 TYR CB C 13 40.686 0.071 A 70 TYR CDx C 13 132.948 0.262 A 70 TYR CDy C 13 132.948 0.262 A 70 TYR N N 15 125.899 0.022 A 71 VAL H H 1 7.752 0.003 A 71 VAL HA H 1 3.711 0.014 A 71 VAL HB H 1 2.203 0.005 A 71 VAL HGx% H 1 0.928 0.002 A 71 VAL HGy% H 1 0.838 0.008 A 71 VAL C C 13 176.917 0.000 A 71 VAL CA C 13 66.447 0.097 A 71 VAL CB C 13 31.764 0.039 A 71 VAL CGx C 13 21.367 0.035 A 71 VAL CGy C 13 22.910 0.095 A 71 VAL N N 15 118.397 0.039 A 72 THR H H 1 8.943 0.013 A 72 THR HA H 1 4.764 0.014 A 72 THR HB H 1 4.349 0.009 A 72 THR HG2% H 1 1.239 0.009 A 72 THR C C 13 174.684 0.000 A 72 THR CA C 13 59.428 0.054 A 72 THR CB C 13 71.491 0.094 A 72 THR CG2 C 13 21.880 0.148 A 72 THR N N 15 109.760 0.041 A 73 ALA H H 1 8.755 0.003 A 73 ALA HA H 1 4.014 0.018 A 73 ALA HB% H 1 1.313 0.013 A 73 ALA C C 13 180.562 0.000 A 73 ALA CA C 13 54.649 0.059 A 73 ALA CB C 13 18.194 0.106 A 73 ALA N N 15 126.860 0.018 A 74 LYS H H 1 8.354 0.005 A 74 LYS HA H 1 4.050 0.008 A 74 LYS HBy H 1 1.782 0.018 A 74 LYS HBx H 1 1.688 0.003 A 74 LYS HD2 H 1 1.623 0.013 A 74 LYS HD3 H 1 1.626 0.013 A 74 LYS HE2 H 1 2.907 0.005 A 74 LYS HE3 H 1 2.907 0.005 A 74 LYS HG2 H 1 1.384 0.019 A 74 LYS HG3 H 1 1.383 0.019 A 74 LYS C C 13 178.825 0.000 A 74 LYS CA C 13 58.659 0.130 A 74 LYS CB C 13 31.806 0.073 A 74 LYS CD C 13 28.922 0.138 A 74 LYS CE C 13 42.059 0.034 A 74 LYS CG C 13 24.587 0.161 A 74 LYS N N 15 118.741 0.037 A 75 ASP H H 1 7.298 0.004 A 75 ASP HA H 1 4.126 0.004 A 75 ASP HBx H 1 1.776 0.011 A 75 ASP HBy H 1 2.579 0.012 A 75 ASP C C 13 176.438 0.000 A 75 ASP CA C 13 56.839 0.054 A 75 ASP CB C 13 39.662 0.076 A 75 ASP N N 15 119.922 0.028 A 76 ALA H H 1 6.977 0.009 A 76 ALA HA H 1 3.676 0.007 A 76 ALA HB% H 1 1.671 0.008 A 76 ALA C C 13 178.455 0.000 A 76 ALA CA C 13 55.410 0.032 A 76 ALA CB C 13 18.061 0.030 A 76 ALA N N 15 122.214 0.051 A 77 GLU H H 1 7.674 0.003 A 77 GLU HA H 1 3.823 0.009 A 77 GLU HB2 H 1 2.066 0.009 A 77 GLU HB3 H 1 2.065 0.008 A 77 GLU HGx H 1 2.126 0.014 A 77 GLU HGy H 1 2.310 0.011 A 77 GLU C C 13 178.660 0.000 A 77 GLU CA C 13 59.252 0.128 A 77 GLU CB C 13 29.787 0.051 A 77 GLU CG C 13 36.050 0.038 A 77 GLU N N 15 116.819 0.029 A 78 ARG H H 1 7.668 0.002 A 78 ARG HA H 1 3.995 0.005 A 78 ARG HB2 H 1 1.744 0.015 A 78 ARG HB3 H 1 1.748 0.014 A 78 ARG HDx H 1 3.128 0.015 A 78 ARG HDy H 1 3.204 0.019 A 78 ARG HG2 H 1 1.514 0.012 A 78 ARG HG3 H 1 1.514 0.012 A 78 ARG C C 13 179.436 0.000 A 78 ARG CA C 13 59.250 0.082 A 78 ARG CB C 13 29.942 0.117 A 78 ARG CD C 13 43.391 0.063 A 78 ARG CG C 13 28.200 0.080 A 78 ARG N N 15 119.226 0.043 A 79 ALA H H 1 8.486 0.006 A 79 ALA HA H 1 3.742 0.006 A 79 ALA HB% H 1 1.609 0.009 A 79 ALA C C 13 179.968 0.000 A 79 ALA CA C 13 56.021 0.027 A 79 ALA CB C 13 19.167 0.033 A 79 ALA N N 15 124.900 0.048 A 80 ILE H H 1 7.787 0.007 A 80 ILE HA H 1 3.236 0.004 A 80 ILE HB H 1 1.712 0.012 A 80 ILE HD1% H 1 -0.058 0.007 A 80 ILE HG1x H 1 0.368 0.009 A 80 ILE HG1y H 1 1.442 0.009 A 80 ILE HG2% H 1 0.766 0.006 A 80 ILE C C 13 177.962 0.000 A 80 ILE CA C 13 66.334 0.021 A 80 ILE CB C 13 38.063 0.046 A 80 ILE CD1 C 13 12.845 0.039 A 80 ILE CG1 C 13 29.642 0.053 A 80 ILE CG2 C 13 16.959 0.066 A 80 ILE N N 15 119.216 0.046 A 81 ASN H H 1 7.650 0.010 A 81 ASN HA H 1 4.382 0.002 A 81 ASN HB2 H 1 2.774 0.008 A 81 ASN HB3 H 1 2.774 0.008 A 81 ASN HD21 H 1 7.036 0.004 A 81 ASN HD22 H 1 7.495 0.010 A 81 ASN C C 13 176.895 0.000 A 81 ASN CA C 13 55.849 0.109 A 81 ASN CB C 13 38.783 0.124 A 81 ASN N N 15 114.706 0.043 A 81 ASN ND2 N 15 112.869 0.096 A 82 THR H H 1 8.098 0.005 A 82 THR HA H 1 4.214 0.002 A 82 THR HB H 1 3.833 0.008 A 82 THR HG2% H 1 1.079 0.004 A 82 THR C C 13 175.036 0.000 A 82 THR CA C 13 64.869 0.100 A 82 THR CB C 13 70.355 0.120 A 82 THR CG2 C 13 21.211 0.053 A 82 THR N N 15 112.108 0.027 A 83 LEU H H 1 8.589 0.008 A 83 LEU HA H 1 4.344 0.010 A 83 LEU HBx H 1 1.060 0.015 A 83 LEU HBy H 1 1.739 0.013 A 83 LEU HDx% H 1 0.486 0.007 A 83 LEU HDy% H 1 -0.093 0.005 A 83 LEU HG H 1 1.282 0.012 A 83 LEU C C 13 177.023 0.000 A 83 LEU CA C 13 55.075 0.087 A 83 LEU CB C 13 42.510 0.054 A 83 LEU CDx C 13 22.909 0.053 A 83 LEU CDy C 13 25.377 0.054 A 83 LEU CG C 13 27.201 0.070 A 83 LEU N N 15 119.286 0.035 A 84 ASN H H 1 7.380 0.002 A 84 ASN HA H 1 4.312 0.009 A 84 ASN HBy H 1 3.057 0.018 A 84 ASN HBx H 1 2.989 0.011 A 84 ASN HD21 H 1 7.781 0.007 A 84 ASN HD22 H 1 6.995 0.006 A 84 ASN C C 13 176.894 0.000 A 84 ASN CA C 13 56.577 0.131 A 84 ASN CB C 13 39.341 0.042 A 84 ASN N N 15 114.928 0.043 A 84 ASN ND2 N 15 114.749 0.123 A 85 GLY H H 1 8.452 0.003 A 85 GLY HAy H 1 4.123 0.005 A 85 GLY HAx H 1 3.525 0.005 A 85 GLY C C 13 173.289 0.000 A 85 GLY CA C 13 45.676 0.081 A 85 GLY N N 15 116.511 0.035 A 86 LEU H H 1 7.404 0.008 A 86 LEU HA H 1 3.959 0.005 A 86 LEU HBx H 1 1.533 0.012 A 86 LEU HBy H 1 1.611 0.015 A 86 LEU HDx% H 1 0.869 0.013 A 86 LEU HDy% H 1 0.764 0.014 A 86 LEU HG H 1 1.403 0.015 A 86 LEU C C 13 175.453 0.000 A 86 LEU CA C 13 55.900 0.131 A 86 LEU CB C 13 43.221 0.071 A 86 LEU CDx C 13 23.701 0.027 A 86 LEU CDy C 13 26.788 0.041 A 86 LEU CG C 13 26.260 0.000 A 86 LEU N N 15 123.551 0.031 A 87 ARG H H 1 8.169 0.010 A 87 ARG HA H 1 4.900 0.007 A 87 ARG HBx H 1 1.628 0.013 A 87 ARG HBy H 1 1.698 0.017 A 87 ARG HD2 H 1 3.053 0.010 A 87 ARG HD3 H 1 3.052 0.010 A 87 ARG HG2 H 1 1.421 0.011 A 87 ARG HG3 H 1 1.421 0.011 A 87 ARG C C 13 175.638 0.000 A 87 ARG CA C 13 54.879 0.098 A 87 ARG CB C 13 30.018 0.080 A 87 ARG CD C 13 43.247 0.037 A 87 ARG CG C 13 26.986 0.053 A 87 ARG N N 15 125.939 0.039 A 88 LEU H H 1 8.586 0.006 A 88 LEU HA H 1 4.534 0.014 A 88 LEU HB2 H 1 1.400 0.009 A 88 LEU HB3 H 1 1.401 0.005 A 88 LEU HDx% H 1 0.817 0.008 A 88 LEU HDy% H 1 0.795 0.018 A 88 LEU HG H 1 1.397 0.013 A 88 LEU C C 13 175.142 0.000 A 88 LEU CA C 13 53.567 0.030 A 88 LEU CB C 13 44.659 0.021 A 88 LEU CDx C 13 23.895 0.065 A 88 LEU CDy C 13 25.193 0.248 A 88 LEU CG C 13 26.262 0.000 A 88 LEU N N 15 128.568 0.030 A 89 GLN H H 1 9.035 0.004 A 89 GLN HA H 1 3.728 0.007 A 89 GLN HBy H 1 2.211 0.006 A 89 GLN HBx H 1 2.105 0.012 A 89 GLN HE21 H 1 7.536 0.011 A 89 GLN HE22 H 1 7.155 0.014 A 89 GLN HGy H 1 2.391 0.005 A 89 GLN HGx H 1 2.307 0.011 A 89 GLN C C 13 175.897 0.000 A 89 GLN CA C 13 57.655 0.045 A 89 GLN CB C 13 26.634 0.095 A 89 GLN CG C 13 34.282 0.113 A 89 GLN N N 15 121.032 0.033 A 89 GLN NE2 N 15 112.957 0.054 A 90 SER H H 1 8.241 0.007 A 90 SER HA H 1 4.214 0.003 A 90 SER HBx H 1 3.913 0.003 A 90 SER HBy H 1 4.095 0.020 A 90 SER C C 13 173.566 0.000 A 90 SER CA C 13 59.479 0.091 A 90 SER CB C 13 63.150 0.142 A 90 SER N N 15 112.679 0.078 A 91 LYS H H 1 8.090 0.010 A 91 LYS HA H 1 4.555 0.004 A 91 LYS HBx H 1 1.890 0.008 A 91 LYS HBy H 1 2.102 0.010 A 91 LYS HDy H 1 1.543 0.020 A 91 LYS HDx H 1 1.475 0.013 A 91 LYS HEy H 1 2.882 0.009 A 91 LYS HEx H 1 2.816 0.003 A 91 LYS HGx H 1 1.241 0.006 A 91 LYS HGy H 1 1.381 0.016 A 91 LYS C C 13 175.519 0.000 A 91 LYS CA C 13 54.176 0.089 A 91 LYS CB C 13 34.337 0.030 A 91 LYS CD C 13 28.038 0.112 A 91 LYS CE C 13 42.147 0.065 A 91 LYS CG C 13 24.306 0.114 A 91 LYS N N 15 122.316 0.064 A 92 THR H H 1 8.047 0.011 A 92 THR HA H 1 4.640 0.009 A 92 THR HB H 1 3.815 0.004 A 92 THR HG2% H 1 1.001 0.009 A 92 THR C C 13 175.076 0.000 A 92 THR CA C 13 61.402 0.000 A 92 THR CB C 13 69.447 0.051 A 92 THR CG2 C 13 21.406 0.046 A 92 THR N N 15 117.462 0.017 A 93 ILE H H 1 8.505 0.004 A 93 ILE HA H 1 4.754 0.005 A 93 ILE HB H 1 1.936 0.007 A 93 ILE HD1% H 1 0.696 0.012 A 93 ILE HG1y H 1 1.598 0.008 A 93 ILE HG1x H 1 1.419 0.016 A 93 ILE HG2% H 1 0.909 0.008 A 93 ILE C C 13 175.473 0.000 A 93 ILE CA C 13 61.777 0.000 A 93 ILE CB C 13 39.068 0.028 A 93 ILE CD1 C 13 13.488 0.055 A 93 ILE CG1 C 13 26.057 0.079 A 93 ILE CG2 C 13 17.596 0.021 A 93 ILE N N 15 121.250 0.062 A 94 LYS H H 1 8.283 0.007 A 94 LYS HA H 1 5.234 0.004 A 94 LYS HBx H 1 1.588 0.007 A 94 LYS HBy H 1 1.820 0.018 A 94 LYS HDy H 1 1.781 0.011 A 94 LYS HDx H 1 1.593 0.008 A 94 LYS HGy H 1 1.586 0.007 A 94 LYS HGx H 1 1.358 0.010 A 94 LYS C C 13 174.918 0.000 A 94 LYS CA C 13 53.987 0.022 A 94 LYS CB C 13 36.815 0.087 A 94 LYS CD C 13 29.600 0.139 A 94 LYS CG C 13 24.903 0.099 A 94 LYS N N 15 123.518 0.060 A 95 VAL H H 1 8.741 0.013 A 95 VAL HA H 1 4.720 0.019 A 95 VAL HB H 1 1.766 0.014 A 95 VAL HGx% H 1 0.958 0.015 A 95 VAL HGy% H 1 0.904 0.010 A 95 VAL C C 13 173.732 0.000 A 95 VAL CA C 13 61.177 0.000 A 95 VAL CB C 13 34.651 0.047 A 95 VAL CGx C 13 21.990 0.074 A 95 VAL CGy C 13 23.873 0.130 A 95 VAL N N 15 126.852 0.025 A 96 SER H H 1 8.544 0.013 A 96 SER HA H 1 4.562 0.003 A 96 SER HB2 H 1 3.747 0.004 A 96 SER HB3 H 1 3.747 0.004 A 96 SER C C 13 172.921 0.000 A 96 SER CA C 13 56.451 0.126 A 96 SER CB C 13 65.758 0.046 A 96 SER N N 15 118.989 0.043 A 97 TYR H H 1 8.389 0.006 A 97 TYR HA H 1 4.662 0.014 A 97 TYR HBx H 1 2.634 0.006 A 97 TYR HBy H 1 3.190 0.014 A 97 TYR HDx H 1 7.072 0.009 A 97 TYR HDy H 1 7.072 0.009 A 97 TYR HEx H 1 6.616 0.007 A 97 TYR HEy H 1 6.616 0.007 A 97 TYR C C 13 176.921 0.000 A 97 TYR CA C 13 60.940 0.000 A 97 TYR CB C 13 38.414 0.066 A 97 TYR CDx C 13 133.105 0.149 A 97 TYR CDy C 13 133.105 0.149 A 97 TYR CEx C 13 118.373 0.171 A 97 TYR CEy C 13 118.373 0.171 A 97 TYR N N 15 119.734 0.041 A 98 ALA H H 1 8.714 0.011 A 98 ALA HA H 1 4.234 0.014 A 98 ALA HB% H 1 1.326 0.008 A 98 ALA C C 13 177.381 0.000 A 98 ALA CA C 13 52.736 0.069 A 98 ALA CB C 13 19.443 0.078 A 98 ALA N N 15 125.207 0.055 A 99 ARG H H 1 8.702 0.004 A 99 ARG N N 15 120.920 0.049 A 100 PRO HA H 1 4.331 0.005 A 100 PRO HBy H 1 2.209 0.003 A 100 PRO HBx H 1 1.828 0.016 A 100 PRO HDx H 1 3.602 0.006 A 100 PRO HDy H 1 3.714 0.004 A 100 PRO HG2 H 1 1.923 0.008 A 100 PRO HG3 H 1 1.917 0.012 A 100 PRO C C 13 176.740 0.000 A 100 PRO CA C 13 63.131 0.067 A 100 PRO CB C 13 32.082 0.099 A 100 PRO CD C 13 50.528 0.082 A 100 PRO CG C 13 28.187 0.030 A 101 SER H H 1 8.262 0.004 A 101 SER HA H 1 4.283 0.002 A 101 SER HBy H 1 3.752 0.015 A 101 SER HBx H 1 3.718 0.011 A 101 SER CA C 13 58.291 0.113 A 101 SER CB C 13 63.609 0.033 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 24 LEU H A 69 ASN HA 1.0 1.747 3.407 2 2 A 69 ASN HA A 69 ASN H 1.0 1.764 3.486 3 3 A 69 ASN HA A 70 TYR H 1.0 1.560 2.688 4 4 A 69 ASN HA A 69 ASN HBx 1.0 1.694 3.176 5 5 A 69 ASN HA A 69 ASN HBy 1.0 1.709 3.239 6 6 A 68 VAL H A 67 PHE HA 1.0 1.492 2.476 7 7 A 67 PHE HA A 67 PHE HDx 1.0 1.729 3.325 8 7 A 67 PHE HA A 67 PHE HDy 1.0 1.729 3.325 9 8 A 67 PHE HA A 67 PHE H 1.0 1.705 3.225 10 9 A 67 PHE HA A 25 ILE HA 1.0 1.685 3.139 11 10 A 67 PHE HA A 67 PHE HBx 1.0 1.652 3.010 12 11 A 67 PHE HA A 67 PHE HBy 1.0 1.733 3.341 13 12 A 24 LEU H A 23 ASN HA 1.0 1.533 2.601 14 13 A 70 TYR H A 23 ASN HA 1.0 1.755 3.445 15 14 A 23 ASN HA A 23 ASN H 1.0 1.782 3.580 16 15 A 69 ASN HA A 23 ASN HA 1.0 1.573 2.733 17 16 A 69 ASN H A 23 ASN HA 1.0 1.870 4.090 18 17 A 43 SER H A 43 SER HA 1.0 1.649 2.997 19 18 A 43 SER HA A 46 GLY H 1.0 1.652 3.012 20 19 A 43 SER HA A 44 SER H 1.0 1.824 3.802 21 20 A 43 SER HA A 70 TYR HEx 1.0 1.813 3.743 22 20 A 43 SER HA A 70 TYR HEy 1.0 1.813 3.743 23 21 A 43 SER HA A 43 SER HBy 1.0 1.608 2.850 24 22 A 43 SER HA A 48 VAL HB 1.0 1.837 3.879 25 23 A 43 SER HA A 48 VAL HGy% 1.0 1.537 2.613 26 24 A 27 ASN H A 26 VAL HA 1.0 1.494 2.480 27 25 A 26 VAL HA A 96 SER H 1.0 1.758 3.460 28 26 A 26 VAL HA A 95 VAL HA 1.0 1.656 3.026 29 27 A 26 VAL HA A 95 VAL HB 1.0 1.841 3.901 30 28 A 26 VAL HA A 26 VAL HB 1.0 1.682 3.130 31 29 A 26 VAL HA A 26 VAL HGy% 1.0 1.612 2.864 32 30 A 72 THR H A 72 THR HB 1.0 1.799 3.665 33 31 A 72 THR HB A 73 ALA H 1.0 1.626 2.912 34 32 A 72 THR HB A 74 LYS H 1.0 1.682 3.126 35 33 A 72 THR HB A 75 ASP H 1.0 1.802 3.684 36 34 A 72 THR HB A 72 THR HA 1.0 1.521 2.565 37 35 A 72 THR HB A 72 THR HG2% 1.0 1.495 2.487 38 36 A 72 THR HB A 74 LYS HBx 1.0 1.765 3.495 39 37 A 70 TYR H A 22 THR HB 1.0 1.689 3.153 40 38 A 83 LEU H A 82 THR HB 1.0 1.697 3.187 41 39 A 82 THR HB A 82 THR H 1.0 1.664 3.058 42 40 A 82 THR HB A 83 LEU HG 1.0 1.751 3.427 43 41 A 93 ILE H A 92 THR HB 1.0 1.806 3.700 44 42 A 92 THR HB A 92 THR HA 1.0 1.619 2.889 45 43 A 92 THR HB A 85 GLY HAy 1.0 1.833 3.853 46 44 A 95 VAL H A 94 LYS HA 1.0 1.464 2.394 47 45 A 94 LYS HA A 84 ASN HA 1.0 1.743 3.387 48 46 A 94 LYS HA A 94 LYS HBy 1.0 1.588 2.780 49 47 A 94 LYS HA A 94 LYS HGy 1.0 1.733 3.343 50 48 A 94 LYS HA A 95 VAL HGx% 1.0 1.787 3.601 51 49 A 94 LYS HA A 85 GLY H 1.0 1.714 3.258 52 50 A 94 LYS HA A 94 LYS H 1.0 1.764 3.488 53 51 A 66 GLY H A 65 TYR HA 1.0 1.545 2.639 54 52 A 65 TYR HA A 65 TYR H 1.0 1.767 3.505 55 53 A 65 TYR HA A 29 LEU HDx% 1.0 1.659 3.039 56 54 A 25 ILE H A 24 LEU HA 1.0 1.562 2.694 57 55 A 24 LEU HA A 24 LEU HBy 1.0 1.705 3.225 58 56 A 24 LEU HA A 98 ALA HB% 1.0 1.740 3.376 59 57 A 24 LEU HA A 98 ALA H 1.0 1.558 2.680 60 58 A 26 VAL HA A 94 LYS H 1.0 1.891 4.243 61 59 A 88 LEU H A 87 ARG HA 1.0 1.460 2.384 62 60 A 87 ARG HA A 87 ARG H 1.0 1.722 3.296 63 61 A 87 ARG HA A 87 ARG HG2 1.0 1.591 2.791 64 62 A 87 ARG HA A 92 THR HG2% 1.0 1.782 3.574 65 63 A 25 ILE HA A 26 VAL H 1.0 1.518 2.556 66 64 A 25 ILE HA A 25 ILE HB 1.0 1.655 3.019 67 65 A 25 ILE HA A 98 ALA HB% 1.0 1.718 3.278 68 66 A 25 ILE HA A 25 ILE HG1y 1.0 1.657 3.029 69 67 A 56 ASP H A 55 ARG HA 1.0 1.553 2.667 70 68 A 27 ASN HA A 27 ASN HBy 1.0 1.636 2.954 71 69 A 51 ALA H A 51 ALA HA 1.0 1.743 3.393 72 70 A 51 ALA HA A 52 LYS H 1.0 1.490 2.470 73 71 A 27 ASN HA A 28 TYR H 1.0 1.531 2.597 74 72 A 27 ASN HA A 29 LEU H 1.0 1.812 3.738 75 73 A 69 ASN H A 51 ALA HA 1.0 1.732 3.338 76 74 A 27 ASN H A 27 ASN HA 1.0 1.775 3.541 77 75 A 27 ASN HA A 27 ASN HD21 1.0 1.755 3.445 78 76 A 51 ALA HA A 68 VAL HA 1.0 1.553 2.665 79 77 A 51 ALA HA A 68 VAL HB 1.0 1.844 3.918 80 78 A 80 ILE H A 80 ILE HA 1.0 1.690 3.162 81 79 A 80 ILE HA A 84 ASN H 1.0 1.782 3.580 82 80 A 80 ILE HA A 81 ASN H 1.0 1.855 3.993 83 81 A 80 ILE HA A 80 ILE HB 1.0 1.613 2.867 84 82 A 80 ILE HA A 80 ILE HG1y 1.0 1.730 3.332 85 83 A 80 ILE HA A 95 VAL HGy% 1.0 1.600 2.824 86 84 A 80 ILE HA A 80 ILE HG1x 1.0 1.659 3.039 87 85 A 80 ILE HA A 84 ASN HBy 1.0 1.743 3.393 88 86 A 40 SER H A 39 ARG HA 1.0 1.818 3.766 89 87 A 39 ARG HA A 39 ARG H 1.0 1.647 2.995 90 88 A 39 ARG HA A 42 PHE H 1.0 1.846 3.930 91 89 A 39 ARG HA A 42 PHE HBx 1.0 1.853 3.973 92 90 A 39 ARG HA A 39 ARG HBx 1.0 1.654 3.018 93 91 A 39 ARG HA A 39 ARG HBy 1.0 1.613 2.869 94 92 A 39 ARG HA A 39 ARG HGy 1.0 1.627 2.919 95 93 A 39 ARG HA A 51 ALA HB% 1.0 1.592 2.796 96 94 A 39 ARG HA A 38 LEU HDx% 1.0 1.761 3.473 97 95 A 39 ARG HA A 68 VAL HGx% 1.0 1.866 4.064 98 96 A 48 VAL HGy% A 39 ARG HA 1.0 1.800 3.674 99 97 A 51 ALA H A 50 SER HBx 1.0 1.725 3.311 100 98 A 50 SER HBx A 50 SER HBy 1.0 1.451 2.357 101 99 A 72 THR H A 71 VAL HA 1.0 1.857 4.007 102 100 A 71 VAL HA A 71 VAL H 1.0 1.681 3.125 103 101 A 71 VAL HA A 71 VAL HB 1.0 1.665 3.061 104 102 A 71 VAL HA A 49 GLU HBx 1.0 1.790 3.616 105 103 A 71 VAL HA A 71 VAL HGx% 1.0 1.459 2.379 106 104 A 71 VAL HA A 49 GLU H 1.0 1.917 4.457 107 105 A 97 TYR H A 96 SER HB2 1.0 1.635 2.949 108 106 A 50 SER HBy A 50 SER H 1.0 1.914 4.432 109 107 A 58 VAL H A 58 VAL HA 1.0 1.617 2.885 110 108 A 58 VAL HA A 58 VAL HB 1.0 1.661 3.047 111 109 A 101 SER H A 101 SER HBy 1.0 1.729 3.329 112 110 A 101 SER H A 101 SER HBx 1.0 1.748 3.408 113 111 A 101 SER HBx A 101 SER HA 1.0 1.649 3.001 114 112 A 49 GLU H A 48 VAL HA 1.0 1.546 2.640 115 113 A 48 VAL HA A 48 VAL H 1.0 1.780 3.568 116 114 A 71 VAL H A 48 VAL HA 1.0 1.777 3.555 117 115 A 50 SER H A 48 VAL HA 1.0 1.826 3.812 118 116 A 48 VAL HA A 70 TYR HDx 1.0 1.847 3.943 119 116 A 48 VAL HA A 70 TYR HDy 1.0 1.847 3.943 120 117 A 48 VAL HB A 48 VAL HA 1.0 1.758 3.456 121 118 A 71 VAL HGx% A 48 VAL HA 1.0 1.844 3.922 122 119 A 48 VAL HGy% A 48 VAL HA 1.0 1.597 2.813 123 120 A 35 GLN H A 35 GLN HA 1.0 1.727 3.315 124 121 A 35 GLN HA A 53 LEU H 1.0 1.910 4.386 125 122 A 35 GLN HA A 38 LEU H 1.0 1.770 3.514 126 123 A 35 GLN HA A 53 LEU HBy 1.0 1.788 3.606 127 124 A 35 GLN HA A 53 LEU HBx 1.0 1.662 3.052 128 125 A 38 LEU HDx% A 35 GLN HA 1.0 1.739 3.371 129 126 A 35 GLN HA A 35 GLN HGy 1.0 1.603 2.833 130 127 A 90 SER H A 90 SER HBy 1.0 1.856 3.996 131 128 A 44 SER H A 44 SER HBy 1.0 1.821 3.789 132 129 A 44 SER HBy A 41 LEU HA 1.0 1.515 2.545 133 130 A 43 SER H A 42 PHE HA 1.0 1.824 3.804 134 131 A 42 PHE HA A 45 ILE H 1.0 1.774 3.538 135 132 A 42 PHE HA A 42 PHE HBy 1.0 1.658 3.032 136 133 A 42 PHE HBx A 42 PHE HA 1.0 1.653 3.013 137 134 A 42 PHE HA A 83 LEU HDx% 1.0 1.611 2.859 138 135 A 42 PHE HA A 41 LEU HDx% 1.0 1.751 3.427 139 136 A 22 THR HA A 22 THR HG2% 1.0 1.506 2.518 140 137 A 22 THR HA A 73 ALA HB% 1.0 1.718 3.280 141 138 A 22 THR HA A 76 ALA HB% 1.0 1.535 2.607 142 139 A 22 THR HA A 22 THR H 1.0 1.731 3.337 143 140 A 23 ASN H A 22 THR HA 1.0 1.809 3.717 144 141 A 22 THR HA A 70 TYR HBy 1.0 1.802 3.682 145 142 A 22 THR HB A 22 THR HA 1.0 1.676 3.106 146 143 A 31 GLN H A 30 PRO HA 1.0 1.601 2.825 147 144 A 101 SER H A 100 PRO HA 1.0 1.460 2.384 148 145 A 100 PRO HA A 100 PRO HBy 1.0 1.435 2.311 149 146 A 30 PRO HA A 30 PRO HBx 1.0 1.466 2.400 150 147 A 30 PRO HA A 91 LYS HGx 1.0 1.770 3.518 151 148 A 30 PRO HA A 91 LYS HEy 1.0 1.767 3.501 152 149 A 30 PRO HA A 91 LYS HGy 1.0 1.743 3.389 153 150 A 49 GLU H A 70 TYR HA 1.0 1.682 3.128 154 151 A 71 VAL H A 70 TYR HA 1.0 1.595 2.805 155 152 A 48 VAL HA A 70 TYR HA 1.0 1.492 2.474 156 153 A 70 TYR HA A 70 TYR HBx 1.0 1.775 3.541 157 154 A 70 TYR HA A 49 GLU HBy 1.0 1.790 3.616 158 155 A 71 VAL HGx% A 70 TYR HA 1.0 1.765 3.491 159 156 A 35 GLN H A 34 THR HA 1.0 1.529 2.591 160 157 A 34 THR HA A 34 THR H 1.0 1.735 3.353 161 158 A 34 THR HA A 34 THR HB 1.0 1.481 2.445 162 159 A 34 THR HA A 34 THR HG2% 1.0 1.524 2.572 163 160 A 34 THR HA A 53 LEU HDy% 1.0 1.649 2.999 164 161 A 69 ASN H A 68 VAL HA 1.0 1.504 2.512 165 162 A 68 VAL H A 68 VAL HA 1.0 1.784 3.586 166 163 A 52 LYS H A 68 VAL HA 1.0 1.789 3.613 167 164 A 68 VAL HA A 68 VAL HB 1.0 1.796 3.652 168 165 A 19 ILE H A 19 ILE HA 1.0 1.633 2.939 169 166 A 19 ILE HA A 19 ILE HG1y 1.0 1.766 3.500 170 167 A 19 ILE HA A 19 ILE HG2% 1.0 1.516 2.548 171 168 A 19 ILE HA A 19 ILE HG1x 1.0 1.764 3.492 172 169 A 44 SER H A 44 SER HA 1.0 1.607 2.847 173 170 A 44 SER HA A 44 SER HBx 1.0 1.419 2.269 174 171 A 40 SER H A 37 GLU HA 1.0 1.701 3.203 175 172 A 45 ILE HA A 45 ILE HB 1.0 1.750 3.422 176 173 A 37 GLU HA A 37 GLU HBy 1.0 1.588 2.778 177 174 A 45 ILE HA A 45 ILE HG1x 1.0 1.808 3.716 178 175 A 90 SER H A 90 SER HA 1.0 1.585 2.771 179 176 A 90 SER HA A 91 LYS H 1.0 1.702 3.212 180 177 A 90 SER HBy A 90 SER HA 1.0 1.533 2.601 181 178 A 89 GLN H A 89 GLN HA 1.0 1.476 2.430 182 179 A 90 SER H A 89 GLN HA 1.0 1.738 3.364 183 180 A 90 SER HBy A 89 GLN HA 1.0 1.856 3.992 184 181 A 89 GLN HA A 89 GLN HBx 1.0 1.636 2.948 185 182 A 89 GLN HA A 89 GLN HE21 1.0 1.929 4.557 186 183 A 77 GLU HA A 80 ILE HD1% 1.0 1.655 3.021 187 184 A 77 GLU HA A 80 ILE HG2% 1.0 1.833 3.857 188 185 A 80 ILE HB A 77 GLU HA 1.0 1.641 2.969 189 186 A 31 GLN HA A 64 GLY HAx 1.0 1.862 4.036 190 187 A 31 GLN HA A 33 MET H 1.0 1.855 3.991 191 188 A 31 GLN HA A 32 ASN H 1.0 1.800 3.670 192 189 A 31 GLN H A 31 GLN HA 1.0 1.731 3.337 193 190 A 76 ALA HA A 79 ALA H 1.0 1.773 3.535 194 191 A 76 ALA HA A 76 ALA H 1.0 1.650 3.004 195 192 A 70 TYR HEx A 76 ALA HA 1.0 1.752 3.432 196 192 A 70 TYR HEy A 76 ALA HA 1.0 1.752 3.432 197 193 A 76 ALA HB% A 76 ALA HA 1.0 1.462 2.390 198 194 A 76 ALA HA A 24 LEU HDy% 1.0 1.640 2.966 199 195 A 70 TYR HDx A 76 ALA HA 1.0 1.662 3.048 200 195 A 70 TYR HDy A 76 ALA HA 1.0 1.662 3.048 201 196 A 79 ALA H A 79 ALA HA 1.0 1.654 3.016 202 197 A 82 THR H A 79 ALA HA 1.0 1.873 4.111 203 198 A 80 ILE H A 79 ALA HA 1.0 1.833 3.853 204 199 A 79 ALA HA A 45 ILE HG1y 1.0 1.702 3.208 205 200 A 79 ALA HA A 45 ILE HD1% 1.0 1.640 2.966 206 201 A 83 LEU HDx% A 79 ALA HA 1.0 1.767 3.501 207 202 A 79 ALA HA A 45 ILE HG2% 1.0 1.682 3.126 208 203 A 83 LEU HG A 79 ALA HA 1.0 1.728 3.322 209 204 A 45 ILE HG1x A 79 ALA HA 1.0 1.761 3.475 210 205 A 87 ARG H A 86 LEU HA 1.0 1.413 2.255 211 206 A 86 LEU HA A 86 LEU H 1.0 1.636 2.952 212 207 A 92 THR HG2% A 86 LEU HA 1.0 1.824 3.804 213 208 A 73 ALA H A 73 ALA HA 1.0 1.671 3.085 214 209 A 74 LYS H A 73 ALA HA 1.0 1.793 3.633 215 210 A 76 ALA H A 73 ALA HA 1.0 1.757 3.453 216 211 A 76 ALA HB% A 73 ALA HA 1.0 1.622 2.902 217 212 A 22 THR HG2% A 73 ALA HA 1.0 1.534 2.604 218 213 A 57 LYS H A 57 LYS HA 1.0 1.654 3.020 219 214 A 41 LEU HA A 41 LEU HBy 1.0 1.622 2.900 220 215 A 41 LEU HA A 41 LEU HBx 1.0 1.546 2.644 221 216 A 41 LEU HA A 41 LEU H 1.0 1.640 2.968 222 217 A 41 LEU HA A 41 LEU HDy% 1.0 1.481 2.445 223 218 A 41 LEU HA A 41 LEU HG 1.0 1.800 3.670 224 219 A 41 LEU HA A 83 LEU HDx% 1.0 1.815 3.755 225 220 A 48 VAL H A 47 GLU HA 1.0 1.414 2.258 226 221 A 47 GLU HA A 47 GLU H 1.0 1.664 3.060 227 222 A 47 GLU HA A 47 GLU HGx 1.0 1.678 3.110 228 223 A 16 ARG HA A 16 ARG HGx 1.0 1.579 2.753 229 224 A 16 ARG HA A 19 ILE HD1% 1.0 1.897 4.283 230 225 A 84 ASN HA A 85 GLY H 1.0 1.496 2.486 231 226 A 84 ASN HA A 84 ASN H 1.0 1.648 2.994 232 227 A 84 ASN HA A 80 ILE HA 1.0 1.901 4.317 233 228 A 21 ARG HA A 21 ARG HBy 1.0 1.568 2.712 234 229 A 84 ASN HA A 95 VAL HGx% 1.0 1.600 2.824 235 230 A 84 ASN HA A 93 ILE HD1% 1.0 1.825 3.807 236 231 A 28 TYR HA A 28 TYR HDy 1.0 1.668 3.072 237 231 A 28 TYR HA A 28 TYR HDx 1.0 1.668 3.072 238 232 A 51 ALA H A 50 SER HA 1.0 1.410 2.244 239 233 A 50 SER H A 50 SER HA 1.0 1.646 2.988 240 234 A 50 SER HBy A 50 SER HA 1.0 1.529 2.589 241 235 A 50 SER HBx A 50 SER HA 1.0 1.516 2.548 242 236 A 39 ARG HBx A 36 ASP HA 1.0 1.627 2.919 243 237 A 39 ARG HBy A 36 ASP HA 1.0 1.673 3.091 244 238 A 50 SER HA A 48 VAL HGx% 1.0 1.751 3.427 245 239 A 36 ASP HA A 39 ARG HGx 1.0 1.841 3.905 246 240 A 34 THR H A 33 MET HA 1.0 1.481 2.443 247 241 A 33 MET H A 33 MET HA 1.0 1.710 3.246 248 242 A 33 MET HA A 33 MET HGx 1.0 1.662 3.050 249 243 A 33 MET HA A 33 MET HGy 1.0 1.650 3.004 250 244 A 33 MET HA A 30 PRO HBy 1.0 1.818 3.772 251 245 A 34 THR HG2% A 33 MET HA 1.0 1.781 3.569 252 246 A 96 SER H A 96 SER HA 1.0 1.625 2.909 253 247 A 97 TYR H A 96 SER HA 1.0 1.537 2.611 254 248 A 80 ILE HD1% A 96 SER HA 1.0 1.671 3.087 255 249 A 80 ILE HG1x A 96 SER HA 1.0 1.785 3.595 256 250 A 82 THR H A 81 ASN HA 1.0 1.801 3.675 257 251 A 83 LEU H A 83 LEU HA 1.0 1.690 3.160 258 252 A 83 LEU HA A 83 LEU HBy 1.0 1.685 3.141 259 253 A 83 LEU HA A 86 LEU HBy 1.0 1.702 3.210 260 254 A 83 LEU HG A 83 LEU HA 1.0 1.767 3.505 261 255 A 83 LEU HA A 86 LEU HDy% 1.0 1.724 3.300 262 256 A 53 LEU H A 53 LEU HA 1.0 1.686 3.144 263 257 A 53 LEU HA A 54 ILE H 1.0 1.525 2.575 264 258 A 53 LEU HA A 66 GLY HAx 1.0 1.660 3.042 265 259 A 53 LEU HBy A 53 LEU HA 1.0 1.731 3.335 266 260 A 53 LEU HA A 53 LEU HG 1.0 1.750 3.418 267 261 A 53 LEU HBx A 53 LEU HA 1.0 1.606 2.844 268 262 A 29 LEU HDx% A 53 LEU HA 1.0 1.734 3.350 269 263 A 59 ALA H A 59 ALA HA 1.0 1.577 2.743 270 264 A 59 ALA HA A 60 GLY H 1.0 1.674 3.098 271 265 A 59 ALA HA A 59 ALA HB% 1.0 1.387 2.185 272 266 A 59 ALA HA A 58 VAL HGx% 1.0 1.735 3.353 273 267 A 29 LEU H A 29 LEU HA 1.0 1.786 3.600 274 268 A 29 LEU HA A 30 PRO HDy 1.0 1.548 2.648 275 269 A 29 LEU HA A 30 PRO HDx 1.0 1.599 2.817 276 270 A 25 ILE HB A 98 ALA HA 1.0 1.691 3.163 277 271 A 29 LEU HA A 29 LEU HBy 1.0 1.697 3.187 278 272 A 29 LEU HA A 93 ILE HG2% 1.0 1.656 3.026 279 273 A 29 LEU HA A 29 LEU HDy% 1.0 1.444 2.338 280 274 A 29 LEU HDx% A 29 LEU HA 1.0 1.814 3.746 281 275 A 63 LEU HA A 63 LEU HBy 1.0 1.667 3.067 282 276 A 52 LYS H A 52 LYS HA 1.0 1.707 3.233 283 277 A 53 LEU H A 52 LYS HA 1.0 1.451 2.357 284 278 A 92 THR H A 91 LYS HA 1.0 1.415 2.259 285 279 A 91 LYS HA A 91 LYS HBy 1.0 1.622 2.902 286 280 A 91 LYS HA A 91 LYS HBx 1.0 1.675 3.099 287 281 A 14 ASP HA A 14 ASP H 1.0 1.468 2.406 288 282 A 89 GLN H A 88 LEU HA 1.0 1.470 2.410 289 283 A 88 LEU HA A 88 LEU HDy% 1.0 1.511 2.533 290 284 A 56 ASP HA A 56 ASP HBx 1.0 1.493 2.479 291 285 A 56 ASP HA A 63 LEU HG 1.0 1.795 3.643 292 286 A 10 HIS H A 9 ASP HA 1.0 1.685 3.141 293 287 A 9 ASP HA A 9 ASP H 1.0 1.692 3.168 294 288 A 32 ASN HA A 32 ASN HBy 1.0 1.541 2.627 295 289 A 32 ASN HA A 32 ASN HBx 1.0 1.543 2.631 296 290 A 32 ASN H A 32 ASN HA 1.0 1.637 2.955 297 291 A 54 ILE H A 54 ILE HD1% 1.0 1.769 3.515 298 292 A 54 ILE HD1% A 67 PHE HEy 1.0 1.685 3.141 299 292 A 54 ILE HD1% A 67 PHE HEx 1.0 1.685 3.141 300 293 A 67 PHE HDy A 54 ILE HD1% 1.0 1.688 3.156 301 293 A 67 PHE HDx A 54 ILE HD1% 1.0 1.688 3.156 302 294 A 54 ILE HD1% A 65 TYR HEy 1.0 1.869 4.081 303 294 A 54 ILE HD1% A 65 TYR HEx 1.0 1.869 4.081 304 295 A 54 ILE HD1% A 66 GLY HAy 1.0 1.805 3.693 305 296 A 66 GLY HAx A 54 ILE HD1% 1.0 1.902 4.326 306 297 A 54 ILE HD1% A 52 LYS HDy 1.0 1.658 3.036 307 298 A 54 ILE HD1% A 52 LYS HBy 1.0 1.771 3.521 308 299 A 45 ILE HG1x A 45 ILE HD1% 1.0 1.523 2.571 309 300 A 45 ILE HD1% A 82 THR HG2% 1.0 1.474 2.424 310 301 A 45 ILE HB A 45 ILE HD1% 1.0 1.727 3.319 311 302 A 45 ILE HD1% A 78 ARG HDx 1.0 1.918 4.460 312 303 A 45 ILE HD1% A 75 ASP HA 1.0 1.896 4.282 313 304 A 45 ILE HA A 45 ILE HD1% 1.0 1.491 2.475 314 305 A 82 THR HB A 45 ILE HD1% 1.0 1.583 2.761 315 306 A 83 LEU H A 45 ILE HD1% 1.0 1.762 3.480 316 307 A 82 THR H A 45 ILE HD1% 1.0 1.921 4.485 317 308 A 45 ILE HD1% A 83 LEU HA 1.0 1.920 4.482 318 309 A 97 TYR H A 80 ILE HD1% 1.0 1.746 3.404 319 310 A 80 ILE H A 80 ILE HD1% 1.0 1.736 3.356 320 311 A 80 ILE HD1% A 97 TYR HDy 1.0 1.736 3.356 321 311 A 80 ILE HD1% A 97 TYR HDx 1.0 1.736 3.356 322 312 A 80 ILE HB A 80 ILE HD1% 1.0 1.560 2.688 323 313 A 80 ILE HG1y A 80 ILE HD1% 1.0 1.536 2.610 324 314 A 80 ILE HD1% A 24 LEU HDx% 1.0 1.496 2.490 325 315 A 80 ILE HG1x A 80 ILE HD1% 1.0 1.513 2.541 326 316 A 95 VAL HGy% A 80 ILE HD1% 1.0 1.696 3.188 327 317 A 80 ILE HD1% A 97 TYR HA 1.0 1.830 3.838 328 318 A 52 LYS H A 68 VAL HGx% 1.0 1.855 3.991 329 319 A 68 VAL H A 68 VAL HGx% 1.0 1.726 3.314 330 320 A 68 VAL HGx% A 42 PHE HDx 1.0 1.749 3.415 331 320 A 68 VAL HGx% A 42 PHE HDy 1.0 1.749 3.415 332 321 A 68 VAL HGx% A 42 PHE HZ 1.0 1.806 3.700 333 322 A 68 VAL HGx% A 42 PHE HEx 1.0 1.922 4.496 334 322 A 68 VAL HGx% A 42 PHE HEy 1.0 1.922 4.496 335 323 A 67 PHE HA A 68 VAL HGx% 1.0 1.870 4.084 336 324 A 68 VAL HA A 68 VAL HGx% 1.0 1.625 2.909 337 325 A 68 VAL HGx% A 42 PHE HBy 1.0 1.893 4.253 338 326 A 42 PHE HBx A 68 VAL HGx% 1.0 1.883 4.181 339 327 A 68 VAL HGx% A 38 LEU HBy 1.0 1.942 4.694 340 328 A 68 VAL HGx% A 24 LEU HBx 1.0 1.897 4.285 341 329 A 26 VAL HB A 68 VAL HGx% 1.0 1.897 4.289 342 330 A 68 VAL HB A 68 VAL HGx% 1.0 1.479 2.439 343 331 A 68 VAL HGx% A 38 LEU HDy% 1.0 1.576 2.742 344 332 A 83 LEU HDx% A 42 PHE HDx 1.0 1.740 3.378 345 332 A 83 LEU HDx% A 42 PHE HDy 1.0 1.740 3.378 346 333 A 42 PHE HBy A 83 LEU HDx% 1.0 1.914 4.426 347 334 A 42 PHE HBx A 83 LEU HDx% 1.0 1.935 4.631 348 335 A 83 LEU HDx% A 45 ILE HB 1.0 1.880 4.162 349 336 A 83 LEU HDx% A 83 LEU HBy 1.0 1.606 2.842 350 337 A 83 LEU HG A 83 LEU HDx% 1.0 1.588 2.782 351 338 A 83 LEU HDx% A 83 LEU HBx 1.0 1.568 2.716 352 339 A 83 LEU HDx% A 41 LEU HDx% 1.0 1.581 2.755 353 340 A 83 LEU HDx% A 79 ALA HB% 1.0 1.617 2.883 354 341 A 83 LEU HDx% A 45 ILE HG1x 1.0 1.713 3.255 355 342 A 42 PHE HDy A 68 VAL HGy% 1.0 1.636 2.952 356 342 A 42 PHE HDx A 68 VAL HGy% 1.0 1.636 2.952 357 343 A 70 TYR HDx A 68 VAL HGy% 1.0 1.827 3.817 358 343 A 70 TYR HDy A 68 VAL HGy% 1.0 1.827 3.817 359 344 A 51 ALA HA A 68 VAL HGy% 1.0 1.811 3.727 360 345 A 68 VAL HA A 68 VAL HGy% 1.0 1.602 2.828 361 346 A 42 PHE HA A 68 VAL HGy% 1.0 1.909 4.385 362 347 A 42 PHE HBy A 68 VAL HGy% 1.0 1.640 2.968 363 348 A 42 PHE HBx A 68 VAL HGy% 1.0 1.657 3.027 364 349 A 24 LEU HBx A 68 VAL HGy% 1.0 1.821 3.791 365 350 A 79 ALA HB% A 68 VAL HGy% 1.0 1.853 3.977 366 351 A 68 VAL HB A 68 VAL HGy% 1.0 1.504 2.514 367 352 A 51 ALA HB% A 68 VAL HGy% 1.0 1.639 2.963 368 353 A 48 VAL HGx% A 68 VAL HGy% 1.0 1.459 2.381 369 354 A 68 VAL HGx% A 68 VAL HGy% 1.0 1.430 2.300 370 355 A 70 TYR HA A 68 VAL HGy% 1.0 1.899 4.303 371 356 A 67 PHE HEy A 25 ILE HD1% 1.0 1.670 3.080 372 356 A 67 PHE HEx A 25 ILE HD1% 1.0 1.670 3.080 373 357 A 25 ILE HD1% A 65 TYR HDx 1.0 1.678 3.110 374 357 A 25 ILE HD1% A 65 TYR HDy 1.0 1.678 3.110 375 358 A 25 ILE HD1% A 27 ASN HD22 1.0 1.770 3.516 376 359 A 25 ILE HA A 25 ILE HD1% 1.0 1.806 3.704 377 360 A 98 ALA HA A 25 ILE HD1% 1.0 1.798 3.660 378 361 A 25 ILE HD1% A 65 TYR HBx 1.0 1.847 3.941 379 362 A 25 ILE HB A 25 ILE HD1% 1.0 1.589 2.785 380 363 A 98 ALA HB% A 25 ILE HD1% 1.0 1.728 3.320 381 364 A 25 ILE HG1y A 25 ILE HD1% 1.0 1.485 2.457 382 365 A 67 PHE HDx A 25 ILE HD1% 1.0 1.881 4.169 383 365 A 67 PHE HDy A 25 ILE HD1% 1.0 1.881 4.169 384 366 A 27 ASN HD21 A 25 ILE HD1% 1.0 1.834 3.856 385 367 A 93 ILE H A 93 ILE HD1% 1.0 1.737 3.363 386 368 A 94 LYS H A 93 ILE HD1% 1.0 1.893 4.251 387 369 A 86 LEU H A 93 ILE HD1% 1.0 1.807 3.705 388 370 A 93 ILE HD1% A 42 PHE HZ 1.0 1.701 3.205 389 371 A 93 ILE HD1% A 93 ILE HB 1.0 1.556 2.674 390 372 A 93 ILE HD1% A 93 ILE HG1y 1.0 1.465 2.397 391 373 A 93 ILE HD1% A 93 ILE HG1x 1.0 1.464 2.396 392 374 A 83 LEU HDx% A 93 ILE HD1% 1.0 1.815 3.751 393 375 A 95 VAL H A 93 ILE HD1% 1.0 1.954 4.842 394 376 A 19 ILE HD1% A 19 ILE HB 1.0 1.612 2.864 395 377 A 19 ILE HG1x A 19 ILE HD1% 1.0 1.511 2.531 396 378 A 19 ILE HG1y A 19 ILE HD1% 1.0 1.484 2.452 397 379 A 19 ILE HD1% A 20 GLY H 1.0 1.934 4.610 398 380 A 19 ILE HD1% A 17 GLY H 1.0 1.918 4.460 399 381 A 19 ILE H A 19 ILE HD1% 1.0 1.865 4.061 400 382 A 24 LEU HG A 25 ILE HG2% 1.0 1.940 4.668 401 383 A 25 ILE HB A 25 ILE HG2% 1.0 1.508 2.524 402 384 A 98 ALA HB% A 25 ILE HG2% 1.0 1.638 2.958 403 385 A 98 ALA HA A 25 ILE HG2% 1.0 1.582 2.760 404 386 A 25 ILE HG2% A 96 SER HB3 1.0 1.692 3.170 405 387 A 24 LEU HA A 25 ILE HG2% 1.0 1.797 3.655 406 388 A 25 ILE HA A 25 ILE HG2% 1.0 1.752 3.432 407 389 A 67 PHE HEx A 25 ILE HG2% 1.0 1.908 4.376 408 389 A 67 PHE HEy A 25 ILE HG2% 1.0 1.908 4.376 409 390 A 25 ILE H A 25 ILE HG2% 1.0 1.548 2.650 410 391 A 98 ALA H A 25 ILE HG2% 1.0 1.724 3.304 411 392 A 96 SER H A 25 ILE HG2% 1.0 1.749 3.419 412 393 A 26 VAL HA A 25 ILE HG2% 1.0 1.889 4.229 413 394 A 27 ASN HD21 A 25 ILE HG2% 1.0 1.941 4.695 414 395 A 79 ALA H A 45 ILE HG2% 1.0 1.655 3.025 415 396 A 45 ILE HG2% A 78 ARG H 1.0 1.825 3.811 416 397 A 70 TYR HEy A 45 ILE HG2% 1.0 1.800 3.670 417 397 A 70 TYR HEx A 45 ILE HG2% 1.0 1.800 3.670 418 398 A 75 ASP H A 45 ILE HG2% 1.0 1.942 4.692 419 399 A 45 ILE HA A 45 ILE HG2% 1.0 1.528 2.584 420 400 A 45 ILE HG2% A 78 ARG HDy 1.0 1.783 3.583 421 401 A 45 ILE HG2% A 75 ASP HBx 1.0 1.820 3.784 422 402 A 45 ILE HB A 45 ILE HG2% 1.0 1.518 2.554 423 403 A 45 ILE HG2% A 75 ASP HBy 1.0 1.476 2.430 424 404 A 45 ILE HG2% A 79 ALA HB% 1.0 1.584 2.768 425 405 A 45 ILE HG1y A 45 ILE HG2% 1.0 1.590 2.786 426 406 A 83 LEU HDx% A 45 ILE HG2% 1.0 1.872 4.098 427 407 A 55 ARG H A 54 ILE HG2% 1.0 1.593 2.799 428 408 A 67 PHE HEx A 54 ILE HG2% 1.0 1.896 4.282 429 408 A 67 PHE HEy A 54 ILE HG2% 1.0 1.896 4.282 430 409 A 55 ARG HA A 54 ILE HG2% 1.0 1.876 4.128 431 410 A 54 ILE HG2% A 54 ILE HA 1.0 1.559 2.683 432 411 A 54 ILE HG2% A 54 ILE HB 1.0 1.385 2.179 433 412 A 54 ILE HG2% A 63 LEU H 1.0 1.927 4.543 434 413 A 54 ILE HG2% A 63 LEU HBx 1.0 1.786 3.594 435 414 A 96 SER H A 80 ILE HG2% 1.0 1.924 4.524 436 415 A 97 TYR H A 80 ILE HG2% 1.0 1.927 4.549 437 416 A 80 ILE HG2% A 84 ASN HD22 1.0 1.695 3.183 438 417 A 84 ASN H A 80 ILE HG2% 1.0 1.891 4.241 439 418 A 80 ILE HG2% A 97 TYR HEx 1.0 1.923 4.503 440 418 A 80 ILE HG2% A 97 TYR HEy 1.0 1.923 4.503 441 419 A 80 ILE HG2% A 96 SER HA 1.0 1.797 3.655 442 420 A 80 ILE HG2% A 81 ASN HA 1.0 1.741 3.379 443 421 A 80 ILE HA A 80 ILE HG2% 1.0 1.563 2.695 444 422 A 80 ILE HB A 80 ILE HG2% 1.0 1.483 2.449 445 423 A 80 ILE HG1y A 80 ILE HG2% 1.0 1.679 3.117 446 424 A 95 VAL HGy% A 80 ILE HG2% 1.0 1.560 2.686 447 425 A 80 ILE HG1x A 80 ILE HG2% 1.0 1.586 2.774 448 426 A 80 ILE HD1% A 80 ILE HG2% 1.0 1.470 2.412 449 427 A 93 ILE H A 93 ILE HG2% 1.0 1.586 2.774 450 428 A 86 LEU H A 93 ILE HG2% 1.0 1.891 4.237 451 429 A 19 ILE HG2% A 20 GLY H 1.0 1.778 3.560 452 430 A 30 PRO HDy A 93 ILE HG2% 1.0 1.714 3.260 453 431 A 93 ILE HG2% A 93 ILE HA 1.0 1.579 2.751 454 432 A 93 ILE HG2% A 28 TYR HBy 1.0 1.872 4.106 455 433 A 93 ILE HG2% A 93 ILE HB 1.0 1.480 2.442 456 434 A 93 ILE HG2% A 93 ILE HG1y 1.0 1.570 2.722 457 435 A 19 ILE HG2% A 19 ILE HG1x 1.0 1.620 2.892 458 436 A 19 ILE HG1y A 19 ILE HG2% 1.0 1.534 2.604 459 437 A 92 THR HA A 93 ILE HG2% 1.0 1.749 3.417 460 438 A 70 TYR H A 76 ALA HB% 1.0 1.843 3.917 461 439 A 76 ALA HB% A 77 GLU H 1.0 1.632 2.938 462 440 A 76 ALA HB% A 76 ALA H 1.0 1.510 2.530 463 441 A 70 TYR HDx A 76 ALA HB% 1.0 1.558 2.684 464 441 A 70 TYR HDy A 76 ALA HB% 1.0 1.558 2.684 465 442 A 76 ALA HB% A 24 LEU HDy% 1.0 1.669 3.079 466 443 A 76 ALA HB% A 80 ILE HD1% 1.0 1.897 4.285 467 444 A 75 ASP H A 76 ALA HB% 1.0 1.942 4.702 468 445 A 79 ALA H A 79 ALA HB% 1.0 1.500 2.500 469 446 A 70 TYR HDx A 79 ALA HB% 1.0 1.757 3.457 470 446 A 70 TYR HDy A 79 ALA HB% 1.0 1.757 3.457 471 447 A 70 TYR HEy A 79 ALA HB% 1.0 1.592 2.794 472 447 A 70 TYR HEx A 79 ALA HB% 1.0 1.592 2.794 473 448 A 42 PHE HA A 79 ALA HB% 1.0 1.831 3.847 474 449 A 79 ALA HA A 79 ALA HB% 1.0 1.483 2.449 475 450 A 80 ILE HA A 79 ALA HB% 1.0 1.880 4.156 476 451 A 45 ILE HB A 79 ALA HB% 1.0 1.814 3.746 477 452 A 45 ILE HG1y A 79 ALA HB% 1.0 1.681 3.125 478 453 A 24 LEU HDy% A 79 ALA HB% 1.0 1.520 2.562 479 454 A 80 ILE HG1x A 79 ALA HB% 1.0 1.893 4.261 480 455 A 45 ILE HD1% A 79 ALA HB% 1.0 1.642 2.972 481 456 A 29 LEU HA A 33 MET HE% 1.0 1.723 3.303 482 457 A 33 MET HE% A 38 LEU HA 1.0 1.474 2.424 483 458 A 30 PRO HDy A 33 MET HE% 1.0 1.745 3.401 484 459 A 33 MET HE% A 37 GLU HBx 1.0 1.612 2.866 485 460 A 33 MET HE% A 38 LEU HBx 1.0 1.563 2.695 486 461 A 29 LEU HDx% A 33 MET HE% 1.0 1.633 2.941 487 462 A 38 LEU H A 33 MET HE% 1.0 1.719 3.285 488 463 A 33 MET HE% A 37 GLU H 1.0 1.912 4.408 489 464 A 34 THR H A 33 MET HE% 1.0 1.809 3.717 490 465 A 73 ALA H A 73 ALA HB% 1.0 1.515 2.543 491 466 A 74 LYS H A 73 ALA HB% 1.0 1.641 2.971 492 467 A 73 ALA HB% A 77 GLU H 1.0 1.926 4.534 493 468 A 73 ALA HB% A 73 ALA HA 1.0 1.451 2.357 494 469 A 73 ALA HB% A 21 ARG HDy 1.0 1.934 4.606 495 470 A 67 PHE HDx A 98 ALA HB% 1.0 1.672 3.086 496 470 A 67 PHE HDy A 98 ALA HB% 1.0 1.672 3.086 497 471 A 60 GLY H A 59 ALA HB% 1.0 1.741 3.379 498 472 A 12 ALA H A 12 ALA HB% 1.0 1.623 2.905 499 473 A 25 ILE H A 98 ALA HB% 1.0 1.817 3.759 500 474 A 98 ALA HB% A 23 ASN HD22 1.0 1.865 4.059 501 475 A 67 PHE HBx A 98 ALA HB% 1.0 1.860 4.026 502 476 A 98 ALA HB% A 23 ASN HBy 1.0 1.680 3.120 503 477 A 98 ALA HB% A 25 ILE HB 1.0 1.386 2.182 504 478 A 98 ALA HB% A 25 ILE HG1y 1.0 1.659 3.039 505 479 A 59 ALA HB% A 58 VAL HGx% 1.0 1.690 3.160 506 480 A 73 ALA HB% A 76 ALA HB% 1.0 1.666 3.064 507 481 A 34 THR H A 34 THR HG2% 1.0 1.559 2.683 508 482 A 73 ALA H A 72 THR HG2% 1.0 1.754 3.442 509 483 A 74 LYS H A 72 THR HG2% 1.0 1.719 3.281 510 484 A 75 ASP H A 72 THR HG2% 1.0 1.808 3.710 511 485 A 34 THR HB A 34 THR HG2% 1.0 1.361 2.115 512 486 A 34 THR HG2% A 33 MET HGx 1.0 1.856 3.992 513 487 A 34 THR HG2% A 37 GLU HGy 1.0 1.626 2.916 514 488 A 72 THR HG2% A 74 LYS HD2 1.0 1.667 3.067 515 489 A 72 THR HG2% A 74 LYS HD3 1.0 1.623 2.905 516 490 A 72 THR HG2% A 74 LYS HBy 1.0 1.685 3.139 517 491 A 34 THR HG2% A 53 LEU HDy% 1.0 1.791 3.623 518 492 A 83 LEU H A 82 THR HG2% 1.0 1.773 3.533 519 493 A 82 THR HG2% A 82 THR HA 1.0 1.509 2.527 520 494 A 82 THR HB A 82 THR HG2% 1.0 1.480 2.442 521 495 A 83 LEU HG A 82 THR HG2% 1.0 1.462 2.390 522 496 A 83 LEU HDx% A 82 THR HG2% 1.0 1.814 3.742 523 497 A 45 ILE HG1x A 82 THR HG2% 1.0 1.707 3.229 524 498 A 83 LEU HA A 82 THR HG2% 1.0 1.741 3.379 525 499 A 52 LYS H A 51 ALA HB% 1.0 1.667 3.071 526 500 A 93 ILE H A 92 THR HG2% 1.0 1.612 2.864 527 501 A 39 ARG H A 51 ALA HB% 1.0 1.799 3.665 528 502 A 51 ALA H A 51 ALA HB% 1.0 1.604 2.834 529 503 A 51 ALA HA A 51 ALA HB% 1.0 1.496 2.490 530 504 A 92 THR HA A 92 THR HG2% 1.0 1.534 2.604 531 505 A 68 VAL HA A 51 ALA HB% 1.0 1.743 3.389 532 506 A 92 THR HG2% A 85 GLY HAx 1.0 1.639 2.961 533 507 A 92 THR HB A 92 THR HG2% 1.0 1.477 2.431 534 508 A 85 GLY HAy A 92 THR HG2% 1.0 1.519 2.559 535 509 A 51 ALA HB% A 35 GLN HB2 1.0 1.909 4.383 536 510 A 39 ARG HBx A 51 ALA HB% 1.0 1.713 3.259 537 511 A 39 ARG HBy A 51 ALA HB% 1.0 1.638 2.960 538 512 A 51 ALA HB% A 38 LEU HDx% 1.0 1.490 2.472 539 513 A 51 ALA HB% A 68 VAL HGx% 1.0 1.627 2.917 540 514 A 68 VAL HB A 51 ALA HB% 1.0 1.498 2.494 541 515 A 39 ARG HGy A 51 ALA HB% 1.0 1.579 2.751 542 516 A 95 VAL H A 95 VAL HGx% 1.0 1.698 3.194 543 517 A 95 VAL HGx% A 84 ASN H 1.0 1.811 3.727 544 518 A 95 VAL HGx% A 42 PHE HZ 1.0 1.534 2.606 545 519 A 26 VAL HA A 95 VAL HGx% 1.0 1.778 3.554 546 520 A 95 VAL HA A 95 VAL HGx% 1.0 1.617 2.881 547 521 A 95 VAL HGx% A 80 ILE HA 1.0 1.856 3.994 548 522 A 95 VAL HGx% A 84 ASN HBx 1.0 1.798 3.658 549 523 A 95 VAL HGx% A 93 ILE HG1x 1.0 1.662 3.050 550 524 A 95 VAL HGx% A 26 VAL HGx% 1.0 1.611 2.859 551 525 A 95 VAL HGx% A 83 LEU HDx% 1.0 1.829 3.827 552 526 A 95 VAL HGx% A 93 ILE HB 1.0 1.777 3.555 553 527 A 72 THR H A 71 VAL HGy% 1.0 1.820 3.782 554 528 A 71 VAL H A 71 VAL HGy% 1.0 1.761 3.473 555 529 A 71 VAL HB A 71 VAL HGy% 1.0 1.438 2.320 556 530 A 72 THR HG2% A 71 VAL HGy% 1.0 1.469 2.409 557 531 A 72 THR HA A 71 VAL HGy% 1.0 1.825 3.811 558 532 A 59 ALA H A 58 VAL HGy% 1.0 1.787 3.603 559 533 A 57 LYS H A 58 VAL HGy% 1.0 1.889 4.223 560 534 A 57 LYS HA A 58 VAL HGy% 1.0 1.858 4.010 561 535 A 58 VAL HA A 58 VAL HGy% 1.0 1.508 2.524 562 536 A 58 VAL HB A 58 VAL HGy% 1.0 1.421 2.277 563 537 A 95 VAL HGx% A 83 LEU HBx 1.0 1.510 2.530 564 538 A 59 ALA H A 58 VAL HGx% 1.0 1.696 3.184 565 539 A 58 VAL HA A 58 VAL HGx% 1.0 1.522 2.566 566 540 A 58 VAL HB A 58 VAL HGx% 1.0 1.418 2.268 567 541 A 22 THR HB A 22 THR HG2% 1.0 1.496 2.488 568 542 A 22 THR HG2% A 73 ALA HB% 1.0 1.526 2.580 569 543 A 26 VAL HGy% A 95 VAL HGx% 1.0 1.620 2.894 570 544 A 72 THR H A 22 THR HG2% 1.0 1.887 4.215 571 545 A 73 ALA H A 22 THR HG2% 1.0 1.710 3.242 572 546 A 22 THR HG2% A 22 THR H 1.0 1.674 3.096 573 547 A 27 ASN H A 26 VAL HGy% 1.0 1.725 3.307 574 548 A 26 VAL HGy% A 42 PHE HZ 1.0 1.584 2.768 575 549 A 26 VAL HGy% A 93 ILE HB 1.0 1.744 3.392 576 550 A 26 VAL HB A 26 VAL HGy% 1.0 1.521 2.563 577 551 A 26 VAL HGy% A 68 VAL HGx% 1.0 1.804 3.690 578 552 A 26 VAL HGy% A 26 VAL HGx% 1.0 1.440 2.328 579 553 A 49 GLU H A 48 VAL HGx% 1.0 1.685 3.139 580 554 A 69 ASN H A 48 VAL HGx% 1.0 1.856 3.996 581 555 A 51 ALA H A 48 VAL HGx% 1.0 1.895 4.269 582 556 A 50 SER H A 48 VAL HGx% 1.0 1.618 2.886 583 557 A 70 TYR HA A 48 VAL HGx% 1.0 1.901 4.323 584 558 A 48 VAL HA A 48 VAL HGx% 1.0 1.636 2.954 585 559 A 39 ARG HA A 48 VAL HGx% 1.0 1.816 3.756 586 560 A 49 GLU HBy A 48 VAL HGx% 1.0 1.854 3.980 587 561 A 48 VAL HB A 48 VAL HGx% 1.0 1.499 2.495 588 562 A 48 VAL HGx% A 39 ARG HGx 1.0 1.796 3.648 589 563 A 39 ARG HGy A 48 VAL HGx% 1.0 1.673 3.089 590 564 A 51 ALA HB% A 48 VAL HGx% 1.0 1.596 2.806 591 565 A 68 VAL HGx% A 48 VAL HGx% 1.0 1.840 3.894 592 566 A 83 LEU H A 83 LEU HDy% 1.0 1.749 3.421 593 567 A 83 LEU HA A 83 LEU HDy% 1.0 1.479 2.439 594 568 A 83 LEU HG A 83 LEU HDy% 1.0 1.497 2.493 595 569 A 82 THR HG2% A 83 LEU HDy% 1.0 1.462 2.388 596 570 A 41 LEU HDx% A 83 LEU HDy% 1.0 1.424 2.282 597 571 A 83 LEU HDx% A 83 LEU HDy% 1.0 1.433 2.307 598 572 A 26 VAL H A 26 VAL HGx% 1.0 1.657 3.031 599 573 A 42 PHE HZ A 26 VAL HGx% 1.0 1.607 2.849 600 574 A 26 VAL HA A 26 VAL HGx% 1.0 1.654 3.018 601 575 A 95 VAL HA A 26 VAL HGx% 1.0 1.776 3.542 602 576 A 48 VAL HGy% A 70 TYR HA 1.0 1.906 4.358 603 577 A 48 VAL HGy% A 47 GLU HA 1.0 1.763 3.481 604 578 A 48 VAL HGy% A 42 PHE HBy 1.0 1.772 3.526 605 579 A 48 VAL HGy% A 42 PHE HBx 1.0 1.789 3.609 606 580 A 26 VAL HB A 26 VAL HGx% 1.0 1.508 2.526 607 581 A 24 LEU HBy A 26 VAL HGx% 1.0 1.688 3.150 608 582 A 48 VAL HB A 48 VAL HGy% 1.0 1.516 2.548 609 583 A 68 VAL HGx% A 26 VAL HGx% 1.0 1.621 2.897 610 584 A 48 VAL HGy% A 68 VAL HGy% 1.0 1.591 2.791 611 585 A 24 LEU H A 24 LEU HDx% 1.0 1.852 3.970 612 586 A 25 ILE H A 24 LEU HDx% 1.0 1.766 3.500 613 587 A 98 ALA H A 24 LEU HDx% 1.0 1.748 3.412 614 588 A 97 TYR H A 24 LEU HDx% 1.0 1.885 4.197 615 589 A 24 LEU HDx% A 97 TYR HEy 1.0 1.741 3.383 616 589 A 24 LEU HDx% A 97 TYR HEx 1.0 1.741 3.383 617 590 A 24 LEU HA A 24 LEU HDx% 1.0 1.570 2.718 618 591 A 24 LEU HDx% A 97 TYR HA 1.0 1.574 2.736 619 592 A 22 THR HA A 24 LEU HDx% 1.0 1.900 4.312 620 593 A 76 ALA HA A 24 LEU HDx% 1.0 1.809 3.717 621 594 A 24 LEU HDx% A 97 TYR HBx 1.0 1.894 4.264 622 595 A 24 LEU HDx% A 97 TYR HBy 1.0 1.952 4.812 623 596 A 76 ALA HB% A 24 LEU HDx% 1.0 1.555 2.671 624 597 A 80 ILE HG1y A 24 LEU HDx% 1.0 1.648 2.996 625 598 A 24 LEU HDy% A 24 LEU HDx% 1.0 1.455 2.369 626 599 A 63 LEU H A 53 LEU HDx% 1.0 1.959 4.895 627 600 A 54 ILE H A 53 LEU HDx% 1.0 1.681 3.121 628 601 A 53 LEU HA A 53 LEU HDx% 1.0 1.554 2.668 629 602 A 33 MET HGx A 53 LEU HDx% 1.0 1.879 4.159 630 603 A 53 LEU HBy A 53 LEU HDx% 1.0 1.693 3.173 631 604 A 53 LEU HG A 53 LEU HDx% 1.0 1.525 2.579 632 605 A 53 LEU HBx A 53 LEU HDx% 1.0 1.550 2.656 633 606 A 29 LEU HDx% A 53 LEU HDx% 1.0 1.425 2.285 634 607 A 52 LYS H A 38 LEU HDx% 1.0 1.836 3.872 635 608 A 67 PHE H A 38 LEU HDx% 1.0 1.806 3.704 636 609 A 51 ALA HA A 38 LEU HDx% 1.0 1.911 4.395 637 610 A 38 LEU HDx% A 38 LEU HA 1.0 1.852 3.970 638 611 A 38 LEU HDx% A 38 LEU HBy 1.0 1.633 2.941 639 612 A 26 VAL HB A 38 LEU HDx% 1.0 1.802 3.682 640 613 A 29 LEU HDx% A 29 LEU HDy% 1.0 1.414 2.254 641 614 A 38 LEU HDx% A 68 VAL HGx% 1.0 1.663 3.051 642 615 A 39 ARG H A 38 LEU HDx% 1.0 1.846 3.930 643 616 A 66 GLY H A 29 LEU HDx% 1.0 1.811 3.731 644 617 A 65 TYR H A 29 LEU HDx% 1.0 1.899 4.305 645 618 A 29 LEU HDx% A 38 LEU HBx 1.0 1.521 2.565 646 619 A 29 LEU HDx% A 66 GLY HAx 1.0 1.802 3.682 647 620 A 26 VAL HB A 29 LEU HDx% 1.0 1.769 3.515 648 621 A 29 LEU HDx% A 29 LEU HBy 1.0 1.615 2.875 649 622 A 41 LEU HDx% A 41 LEU HG 1.0 1.450 2.354 650 623 A 27 ASN H A 29 LEU HDy% 1.0 1.907 4.369 651 624 A 66 GLY H A 29 LEU HDy% 1.0 1.900 4.312 652 625 A 94 LYS H A 29 LEU HDy% 1.0 1.876 4.132 653 626 A 29 LEU H A 29 LEU HDy% 1.0 1.749 3.417 654 627 A 45 ILE H A 41 LEU HDy% 1.0 1.914 4.424 655 628 A 65 TYR HA A 29 LEU HDy% 1.0 1.855 3.991 656 629 A 41 LEU HDy% A 83 LEU HA 1.0 1.937 4.649 657 630 A 30 PRO HDy A 29 LEU HDy% 1.0 1.686 3.144 658 631 A 29 LEU HDy% A 33 MET HE% 1.0 1.598 2.816 659 632 A 30 PRO HDx A 29 LEU HDy% 1.0 1.705 3.221 660 633 A 26 VAL HB A 29 LEU HDy% 1.0 1.706 3.228 661 634 A 63 LEU H A 63 LEU HDy% 1.0 1.800 3.670 662 635 A 63 LEU HA A 63 LEU HDy% 1.0 1.454 2.368 663 636 A 95 VAL HGy% A 84 ASN HBy 1.0 1.896 4.276 664 637 A 56 ASP HBx A 63 LEU HDy% 1.0 1.575 2.737 665 638 A 63 LEU HG A 63 LEU HDy% 1.0 1.449 2.351 666 639 A 95 VAL H A 95 VAL HGy% 1.0 1.870 4.094 667 640 A 96 SER H A 95 VAL HGy% 1.0 1.652 3.012 668 641 A 87 ARG H A 86 LEU HDx% 1.0 1.569 2.717 669 642 A 80 ILE H A 95 VAL HGy% 1.0 1.777 3.549 670 643 A 95 VAL HA A 95 VAL HGy% 1.0 1.617 2.885 671 644 A 95 VAL HB A 95 VAL HGy% 1.0 1.497 2.493 672 645 A 86 LEU HDx% A 86 LEU HG 1.0 1.426 2.290 673 646 A 95 VAL HGy% A 80 ILE HG1x 1.0 1.648 2.996 674 647 A 84 ASN HA A 95 VAL HGy% 1.0 1.863 4.045 675 648 A 56 ASP HA A 63 LEU HDy% 1.0 1.714 3.262 676 649 A 86 LEU HA A 86 LEU HDx% 1.0 1.500 2.502 677 650 A 86 LEU HDx% A 86 LEU HBx 1.0 1.505 2.515 678 651 A 42 PHE HDy A 38 LEU HDy% 1.0 1.630 2.928 679 651 A 42 PHE HDx A 38 LEU HDy% 1.0 1.630 2.928 680 652 A 39 ARG H A 38 LEU HDy% 1.0 1.866 4.062 681 653 A 38 LEU H A 38 LEU HDy% 1.0 1.848 3.946 682 654 A 38 LEU HBy A 38 LEU HDy% 1.0 1.688 3.150 683 655 A 38 LEU HDy% A 33 MET HE% 1.0 1.669 3.077 684 656 A 38 LEU HDy% A 38 LEU HBx 1.0 1.565 2.705 685 657 A 38 LEU HDy% A 38 LEU HG 1.0 1.499 2.495 686 658 A 38 LEU HDx% A 38 LEU HDy% 1.0 1.411 2.249 687 659 A 26 VAL HB A 38 LEU HDy% 1.0 1.737 3.363 688 660 A 88 LEU HA A 88 LEU HDx% 1.0 1.793 3.635 689 661 A 29 LEU HA A 88 LEU HDx% 1.0 1.821 3.785 690 662 A 30 PRO HDy A 88 LEU HDx% 1.0 1.808 3.710 691 663 A 41 LEU HG A 88 LEU HDx% 1.0 1.450 2.354 692 664 A 63 LEU H A 63 LEU HDx% 1.0 1.844 3.924 693 665 A 56 ASP H A 63 LEU HDx% 1.0 1.881 4.165 694 666 A 55 ARG H A 63 LEU HDx% 1.0 1.914 4.424 695 667 A 65 TYR HEy A 63 LEU HDx% 1.0 1.688 3.150 696 667 A 65 TYR HEx A 63 LEU HDx% 1.0 1.688 3.150 697 668 A 55 ARG HA A 63 LEU HDx% 1.0 1.883 4.185 698 669 A 56 ASP HA A 63 LEU HDx% 1.0 1.682 3.128 699 670 A 56 ASP HBx A 63 LEU HDx% 1.0 1.745 3.401 700 671 A 63 LEU HBx A 63 LEU HDx% 1.0 1.559 2.683 701 672 A 71 VAL HGx% A 49 GLU H 1.0 1.782 3.578 702 673 A 71 VAL H A 71 VAL HGx% 1.0 1.559 2.687 703 674 A 71 VAL HGx% A 49 GLU HA 1.0 1.665 3.059 704 675 A 71 VAL HB A 71 VAL HGx% 1.0 1.461 2.385 705 676 A 71 VAL HGx% A 47 GLU HB3 1.0 1.513 2.539 706 677 A 49 GLU HBx A 71 VAL HGx% 1.0 1.589 2.783 707 678 A 89 GLN H A 88 LEU HDy% 1.0 1.809 3.715 708 679 A 88 LEU H A 88 LEU HDy% 1.0 1.871 4.101 709 680 A 89 GLN HE21 A 88 LEU HDy% 1.0 1.940 4.672 710 681 A 30 PRO HDx A 88 LEU HDy% 1.0 1.907 4.371 711 682 A 88 LEU HDy% A 89 GLN HGy 1.0 1.786 3.600 712 683 A 41 LEU HBx A 88 LEU HDy% 1.0 1.715 3.265 713 684 A 41 LEU HG A 88 LEU HDy% 1.0 1.500 2.502 714 685 A 35 GLN H A 53 LEU HDx% 1.0 1.780 3.570 715 686 A 34 THR HA A 53 LEU HDx% 1.0 1.675 3.101 716 687 A 41 LEU HDx% A 41 LEU HBy 1.0 1.559 2.683 717 688 A 38 LEU HBy A 53 LEU HDx% 1.0 1.730 3.330 718 689 A 87 ARG H A 86 LEU HDy% 1.0 1.838 3.884 719 690 A 86 LEU HA A 86 LEU HDy% 1.0 1.794 3.638 720 691 A 83 LEU HBy A 86 LEU HDy% 1.0 1.876 4.134 721 692 A 86 LEU HBy A 86 LEU HDy% 1.0 1.547 2.647 722 693 A 86 LEU HDy% A 86 LEU HG 1.0 1.394 2.202 723 694 A 51 ALA HB% A 39 ARG HGx 1.0 1.736 3.360 724 695 A 53 LEU HBy A 35 GLN HGy 1.0 1.911 4.403 725 696 A 53 LEU HBx A 53 LEU HG 1.0 1.761 3.469 726 697 A 53 LEU HBy A 53 LEU HDy% 1.0 1.699 3.197 727 698 A 53 LEU HBy A 53 LEU HG 1.0 1.772 3.526 728 699 A 53 LEU HBy A 53 LEU HBx 1.0 1.512 2.538 729 700 A 24 LEU H A 24 LEU HBy 1.0 1.873 4.111 730 701 A 25 ILE H A 24 LEU HBy 1.0 1.877 4.143 731 702 A 25 ILE H A 24 LEU HBx 1.0 1.950 4.794 732 703 A 24 LEU HA A 24 LEU HBx 1.0 1.884 4.192 733 704 A 24 LEU HDy% A 24 LEU HBx 1.0 1.757 3.453 734 705 A 24 LEU HDx% A 24 LEU HBx 1.0 1.833 3.853 735 706 A 24 LEU HBy A 24 LEU HBx 1.0 1.625 2.911 736 707 A 83 LEU H A 83 LEU HBx 1.0 1.896 4.284 737 708 A 83 LEU HA A 83 LEU HBx 1.0 1.835 3.867 738 709 A 83 LEU HBy A 83 LEU HBx 1.0 1.635 2.949 739 710 A 83 LEU HBy A 83 LEU HDy% 1.0 1.853 3.973 740 711 A 27 ASN H A 27 ASN HBy 1.0 1.779 3.561 741 712 A 27 ASN HBy A 28 TYR HDy 1.0 1.776 3.548 742 712 A 27 ASN HBy A 28 TYR HDx 1.0 1.776 3.548 743 713 A 27 ASN HBy A 28 TYR HEy 1.0 1.917 4.453 744 713 A 27 ASN HBy A 28 TYR HEx 1.0 1.917 4.453 745 714 A 28 TYR HEy A 27 ASN HBx 1.0 1.911 4.397 746 714 A 28 TYR HEx A 27 ASN HBx 1.0 1.911 4.397 747 715 A 27 ASN HBy A 27 ASN HBx 1.0 1.375 2.153 748 716 A 86 LEU H A 86 LEU HBx 1.0 1.761 3.471 749 717 A 86 LEU HA A 86 LEU HBy 1.0 1.830 3.840 750 718 A 83 LEU HA A 86 LEU HBx 1.0 1.914 4.432 751 719 A 86 LEU HA A 86 LEU HBx 1.0 1.827 3.821 752 720 A 86 LEU HDy% A 86 LEU HBx 1.0 1.718 3.280 753 721 A 86 LEU HBy A 83 LEU HDy% 1.0 1.948 4.760 754 722 A 83 LEU HDy% A 86 LEU HBx 1.0 1.927 4.547 755 723 A 41 LEU HBy A 41 LEU HBx 1.0 1.614 2.870 756 724 A 41 LEU HBx A 41 LEU HG 1.0 1.836 3.874 757 725 A 41 LEU HBy A 41 LEU HG 1.0 1.860 4.020 758 726 A 41 LEU HBx A 38 LEU HA 1.0 1.881 4.169 759 727 A 41 LEU HBy A 38 LEU HA 1.0 1.918 4.462 760 728 A 39 ARG H A 38 LEU HBy 1.0 1.854 3.984 761 729 A 38 LEU H A 38 LEU HBy 1.0 1.804 3.688 762 730 A 38 LEU H A 38 LEU HBx 1.0 1.812 3.732 763 731 A 35 GLN HA A 38 LEU HBy 1.0 1.875 4.121 764 732 A 35 GLN HA A 38 LEU HBx 1.0 1.895 4.267 765 733 A 38 LEU HBy A 38 LEU HBx 1.0 1.668 3.070 766 734 A 39 ARG H A 38 LEU HBx 1.0 1.876 4.132 767 735 A 38 LEU HA A 38 LEU HBx 1.0 1.893 4.261 768 736 A 38 LEU HBy A 38 LEU HA 1.0 1.898 4.294 769 737 A 29 LEU H A 29 LEU HBx 1.0 1.887 4.205 770 738 A 29 LEU HA A 29 LEU HBx 1.0 1.888 4.218 771 739 A 64 GLY HAx A 29 LEU HBy 1.0 1.897 4.287 772 740 A 30 PRO HDy A 29 LEU HBx 1.0 1.879 4.153 773 741 A 29 LEU HBy A 29 LEU HBx 1.0 1.662 3.050 774 742 A 29 LEU HBy A 29 LEU HDy% 1.0 1.832 3.850 775 743 A 29 LEU HDx% A 29 LEU HBx 1.0 1.741 3.383 776 744 A 29 LEU HDy% A 29 LEU HBx 1.0 1.771 3.521 777 745 A 63 LEU HBy A 63 LEU H 1.0 1.862 4.034 778 746 A 65 TYR HEx A 63 LEU HBx 1.0 1.828 3.822 779 746 A 65 TYR HEy A 63 LEU HBx 1.0 1.828 3.822 780 747 A 63 LEU HA A 63 LEU HBx 1.0 1.778 3.554 781 748 A 63 LEU HBy A 63 LEU HBx 1.0 1.569 2.717 782 749 A 25 ILE H A 25 ILE HB 1.0 1.807 3.705 783 750 A 25 ILE HB A 67 PHE HEx 1.0 1.767 3.503 784 750 A 25 ILE HB A 67 PHE HEy 1.0 1.767 3.503 785 751 A 67 PHE HDx A 25 ILE HB 1.0 1.841 3.901 786 751 A 67 PHE HDy A 25 ILE HB 1.0 1.841 3.901 787 752 A 25 ILE HB A 25 ILE HG1y 1.0 1.688 3.152 788 753 A 100 PRO HBy A 100 PRO HDx 1.0 1.857 4.009 789 754 A 30 PRO HDx A 33 MET HE% 1.0 1.663 3.053 790 755 A 30 PRO HDx A 29 LEU HBx 1.0 1.824 3.802 791 756 A 54 ILE H A 66 GLY HAx 1.0 1.902 4.326 792 757 A 66 GLY HAx A 66 GLY HAy 1.0 1.586 2.776 793 758 A 29 LEU HDx% A 66 GLY HAy 1.0 1.888 4.216 794 759 A 66 GLY HAy A 54 ILE HB 1.0 1.853 3.979 795 760 A 64 GLY HAx A 64 GLY HAy 1.0 1.536 2.612 796 761 A 85 GLY H A 85 GLY HAx 1.0 1.724 3.302 797 762 A 86 LEU H A 85 GLY HAx 1.0 1.797 3.655 798 763 A 85 GLY HAy A 85 GLY HAx 1.0 1.487 2.463 799 764 A 60 GLY HAy A 60 GLY HAx 1.0 1.426 2.288 800 765 A 94 LYS H A 28 TYR HBx 1.0 1.865 4.055 801 766 A 28 TYR HDy A 28 TYR HBy 1.0 1.823 3.795 802 766 A 28 TYR HDx A 28 TYR HBy 1.0 1.823 3.795 803 767 A 93 ILE HA A 28 TYR HBy 1.0 1.811 3.727 804 768 A 28 TYR HA A 28 TYR HBy 1.0 1.770 3.514 805 769 A 28 TYR HA A 28 TYR HBx 1.0 1.866 4.062 806 770 A 93 ILE HA A 28 TYR HBx 1.0 1.788 3.610 807 771 A 28 TYR HBy A 28 TYR HBx 1.0 1.565 2.705 808 772 A 28 TYR HBy A 91 LYS HDy 1.0 1.899 4.305 809 773 A 71 VAL H A 70 TYR HBy 1.0 1.843 3.911 810 774 A 70 TYR HDx A 70 TYR HBy 1.0 1.827 3.823 811 774 A 70 TYR HDy A 70 TYR HBy 1.0 1.827 3.823 812 775 A 70 TYR HDx A 70 TYR HBx 1.0 1.805 3.699 813 775 A 70 TYR HDy A 70 TYR HBx 1.0 1.805 3.699 814 776 A 70 TYR HBy A 70 TYR HA 1.0 1.871 4.097 815 777 A 70 TYR HBy A 70 TYR HBx 1.0 1.638 2.958 816 778 A 76 ALA HB% A 70 TYR HBx 1.0 1.874 4.120 817 779 A 76 ALA HB% A 70 TYR HBy 1.0 1.899 4.305 818 780 A 98 ALA H A 97 TYR HBx 1.0 1.867 4.071 819 781 A 97 TYR HA A 97 TYR HBx 1.0 1.793 3.635 820 782 A 97 TYR HA A 97 TYR HBy 1.0 1.865 4.057 821 783 A 97 TYR HBx A 97 TYR HBy 1.0 1.582 2.760 822 784 A 24 LEU HA A 97 TYR HBx 1.0 1.945 4.727 823 785 A 42 PHE HBx A 42 PHE HBy 1.0 1.642 2.974 824 786 A 32 ASN HBx A 32 ASN HD22 1.0 1.872 4.104 825 787 A 32 ASN HBy A 32 ASN HBx 1.0 1.386 2.180 826 788 A 84 ASN HBy A 84 ASN HD22 1.0 1.798 3.662 827 789 A 84 ASN HD22 A 84 ASN HBx 1.0 1.829 3.831 828 790 A 84 ASN H A 84 ASN HBx 1.0 1.742 3.386 829 791 A 84 ASN HA A 84 ASN HBy 1.0 1.803 3.689 830 792 A 84 ASN HA A 84 ASN HBx 1.0 1.799 3.665 831 793 A 80 ILE HG2% A 84 ASN HBx 1.0 1.861 4.029 832 794 A 84 ASN HBy A 80 ILE HG2% 1.0 1.922 4.492 833 795 A 7 TYR HBy A 8 GLU H 1.0 1.902 4.330 834 796 A 7 TYR HBy A 7 TYR H 1.0 1.897 4.285 835 797 A 7 TYR H A 7 TYR HBx 1.0 1.867 4.065 836 798 A 7 TYR HBx A 7 TYR HDy 1.0 1.800 3.670 837 798 A 7 TYR HBx A 7 TYR HDx 1.0 1.800 3.670 838 799 A 7 TYR HBy A 7 TYR HDy 1.0 1.795 3.643 839 799 A 7 TYR HBy A 7 TYR HDx 1.0 1.795 3.643 840 800 A 7 TYR HBx A 7 TYR HA 1.0 1.776 3.544 841 801 A 7 TYR HBy A 7 TYR HA 1.0 1.768 3.506 842 802 A 81 ASN H A 81 ASN HB2 1.0 1.579 2.749 843 803 A 80 ILE HB A 81 ASN HB2 1.0 1.866 4.064 844 804 A 24 LEU H A 23 ASN HBy 1.0 1.891 4.243 845 805 A 23 ASN H A 23 ASN HBy 1.0 1.791 3.619 846 806 A 23 ASN HBy A 23 ASN HD21 1.0 1.787 3.603 847 807 A 23 ASN HD21 A 23 ASN HBx 1.0 1.867 4.069 848 808 A 23 ASN HD22 A 23 ASN HBy 1.0 1.886 4.198 849 809 A 23 ASN HD22 A 23 ASN HBx 1.0 1.926 4.538 850 810 A 23 ASN HA A 23 ASN HBx 1.0 1.796 3.650 851 811 A 23 ASN HA A 23 ASN HBy 1.0 1.795 3.643 852 812 A 23 ASN HBy A 100 PRO HG3 1.0 1.921 4.493 853 813 A 69 ASN HA A 23 ASN HBx 1.0 1.919 4.467 854 814 A 97 TYR HA A 23 ASN HBy 1.0 1.909 4.385 855 815 A 69 ASN HBy A 69 ASN HD21 1.0 1.730 3.330 856 816 A 69 ASN HBy A 69 ASN HD22 1.0 1.889 4.229 857 817 A 69 ASN HBx A 69 ASN HBy 1.0 1.369 2.137 858 818 A 69 ASN HBy A 49 GLU HBy 1.0 1.877 4.137 859 819 A 69 ASN HBx A 49 GLU HBy 1.0 1.939 4.661 860 820 A 69 ASN HBx A 69 ASN HD21 1.0 1.806 3.704 861 821 A 75 ASP H A 75 ASP HBy 1.0 1.877 4.139 862 822 A 70 TYR HDx A 75 ASP HBy 1.0 1.876 4.132 863 822 A 70 TYR HDy A 75 ASP HBy 1.0 1.876 4.132 864 823 A 76 ALA H A 75 ASP HBy 1.0 1.888 4.222 865 824 A 70 TYR HEx A 75 ASP HBy 1.0 1.955 4.845 866 824 A 70 TYR HEy A 75 ASP HBy 1.0 1.955 4.845 867 825 A 75 ASP HA A 75 ASP HBy 1.0 1.802 3.684 868 826 A 75 ASP HBx A 75 ASP HBy 1.0 1.633 2.941 869 827 A 36 ASP H A 36 ASP HBy 1.0 1.731 3.333 870 828 A 36 ASP H A 36 ASP HBx 1.0 1.633 2.937 871 829 A 37 GLU H A 36 ASP HBy 1.0 1.853 3.977 872 830 A 34 THR HB A 36 ASP HBy 1.0 1.898 4.292 873 831 A 34 THR HB A 36 ASP HBx 1.0 1.826 3.814 874 832 A 36 ASP HA A 36 ASP HBy 1.0 1.652 3.012 875 833 A 36 ASP HA A 36 ASP HBx 1.0 1.666 3.064 876 834 A 56 ASP H A 56 ASP HBx 1.0 1.688 3.150 877 835 A 56 ASP H A 56 ASP HBy 1.0 1.731 3.333 878 836 A 60 GLY H A 56 ASP HBy 1.0 1.875 4.123 879 837 A 68 VAL H A 67 PHE HBx 1.0 1.860 4.022 880 838 A 67 PHE HBy A 52 LYS H 1.0 1.938 4.644 881 839 A 67 PHE HBx A 52 LYS H 1.0 1.930 4.576 882 840 A 56 ASP HA A 56 ASP HBy 1.0 1.708 3.234 883 841 A 67 PHE HBx A 67 PHE HBy 1.0 1.542 2.628 884 842 A 63 LEU HDy% A 56 ASP HBy 1.0 1.725 3.311 885 843 A 59 ALA HB% A 56 ASP HBx 1.0 1.893 4.261 886 844 A 59 ALA HB% A 56 ASP HBy 1.0 1.908 4.378 887 845 A 56 ASP HBx A 63 LEU HG 1.0 1.938 4.660 888 846 A 67 PHE HBy A 52 LYS HBy 1.0 1.890 4.238 889 847 A 97 TYR HDx A 21 ARG HDx 1.0 1.898 4.300 890 847 A 97 TYR HDy A 21 ARG HDx 1.0 1.898 4.300 891 848 A 97 TYR HEx A 21 ARG HDx 1.0 1.906 4.360 892 848 A 97 TYR HEy A 21 ARG HDx 1.0 1.906 4.360 893 849 A 97 TYR HDx A 21 ARG HDy 1.0 1.935 4.621 894 849 A 97 TYR HDy A 21 ARG HDy 1.0 1.935 4.621 895 850 A 97 TYR HEx A 21 ARG HDy 1.0 1.930 4.572 896 850 A 97 TYR HEy A 21 ARG HDy 1.0 1.930 4.572 897 851 A 21 ARG HA A 21 ARG HDx 1.0 1.912 4.408 898 852 A 21 ARG HA A 21 ARG HDy 1.0 1.924 4.518 899 853 A 21 ARG HDy A 21 ARG HG3 1.0 1.607 2.845 900 854 A 21 ARG HBy A 21 ARG HDx 1.0 1.820 3.782 901 855 A 21 ARG HBy A 21 ARG HDy 1.0 1.807 3.711 902 856 A 87 ARG HA A 87 ARG HD2 1.0 1.757 3.455 903 857 A 90 SER HA A 87 ARG HD3 1.0 1.896 4.280 904 858 A 92 THR HG2% A 87 ARG HD2 1.0 1.807 3.707 905 859 A 55 ARG HD2 A 61 HIS HA 1.0 1.615 2.875 906 860 A 53 LEU HDy% A 55 ARG HD3 1.0 1.754 3.440 907 861 A 92 THR HA A 87 ARG HD2 1.0 1.704 3.218 908 862 A 43 SER HBy A 39 ARG HD3 1.0 1.853 3.981 909 863 A 39 ARG HA A 39 ARG HD3 1.0 1.690 3.158 910 864 A 39 ARG HBx A 39 ARG HD2 1.0 1.632 2.936 911 865 A 39 ARG HGy A 39 ARG HD3 1.0 1.550 2.656 912 866 A 48 VAL HGx% A 39 ARG HD3 1.0 1.779 3.561 913 867 A 39 ARG HD3 A 43 SER HBx 1.0 1.879 4.153 914 868 A 75 ASP HA A 78 ARG HDy 1.0 1.802 3.678 915 869 A 28 TYR HDy A 91 LYS HEx 1.0 1.925 4.523 916 869 A 28 TYR HDx A 91 LYS HEx 1.0 1.925 4.523 917 870 A 28 TYR HA A 91 LYS HEx 1.0 1.849 3.951 918 871 A 91 LYS HDy A 91 LYS HEx 1.0 1.461 2.385 919 872 A 91 LYS HGx A 91 LYS HEx 1.0 1.557 2.679 920 873 A 91 LYS HEy A 91 LYS HBy 1.0 1.842 3.904 921 874 A 91 LYS HBy A 91 LYS HEx 1.0 1.906 4.360 922 875 A 65 TYR HEx A 54 ILE HB 1.0 1.885 4.191 923 875 A 65 TYR HEy A 54 ILE HB 1.0 1.885 4.191 924 876 A 53 LEU HA A 54 ILE HB 1.0 1.939 4.669 925 877 A 55 ARG H A 54 ILE HB 1.0 1.881 4.169 926 878 A 69 ASN H A 68 VAL HB 1.0 1.907 4.369 927 879 A 68 VAL H A 68 VAL HB 1.0 1.736 3.356 928 880 A 27 ASN H A 26 VAL HB 1.0 1.887 4.213 929 881 A 26 VAL HB A 66 GLY HAx 1.0 1.909 4.381 930 882 A 52 LYS H A 52 LYS HBy 1.0 1.789 3.613 931 883 A 67 PHE H A 52 LYS HBy 1.0 1.795 3.643 932 884 A 67 PHE HDx A 52 LYS HBx 1.0 1.936 4.632 933 884 A 67 PHE HDy A 52 LYS HBx 1.0 1.936 4.632 934 885 A 28 TYR HEy A 94 LYS HBx 1.0 1.910 4.390 935 885 A 28 TYR HEx A 94 LYS HBx 1.0 1.910 4.390 936 886 A 52 LYS HA A 52 LYS HBy 1.0 1.732 3.340 937 887 A 52 LYS HA A 52 LYS HBx 1.0 1.744 3.394 938 888 A 94 LYS HA A 94 LYS HBx 1.0 1.817 3.761 939 889 A 67 PHE HBy A 52 LYS HBx 1.0 1.885 4.199 940 890 A 94 LYS HGy A 94 LYS HBx 1.0 1.704 3.218 941 891 A 94 LYS HBy A 94 LYS H 1.0 1.844 3.924 942 892 A 94 LYS HBy A 28 TYR HEy 1.0 1.844 3.918 943 892 A 94 LYS HBy A 28 TYR HEx 1.0 1.844 3.918 944 893 A 94 LYS HBy A 28 TYR HDy 1.0 1.844 3.918 945 893 A 94 LYS HBy A 28 TYR HDx 1.0 1.844 3.918 946 894 A 94 LYS HBy A 94 LYS HGy 1.0 1.767 3.503 947 895 A 94 LYS HBy A 94 LYS HBx 1.0 1.473 2.419 948 896 A 93 ILE H A 93 ILE HB 1.0 1.781 3.573 949 897 A 94 LYS H A 93 ILE HB 1.0 1.688 3.154 950 898 A 93 ILE HB A 93 ILE HA 1.0 1.658 3.034 951 899 A 93 ILE HB A 93 ILE HG1y 1.0 1.733 3.343 952 900 A 93 ILE HB A 93 ILE HG1x 1.0 1.692 3.168 953 901 A 70 TYR HEx A 45 ILE HB 1.0 1.779 3.563 954 901 A 70 TYR HEy A 45 ILE HB 1.0 1.779 3.563 955 902 A 42 PHE HBy A 45 ILE HB 1.0 1.936 4.634 956 903 A 45 ILE HB A 45 ILE HG1x 1.0 1.724 3.306 957 904 A 45 ILE HB A 45 ILE HG1y 1.0 1.718 3.278 958 905 A 19 ILE HB A 20 GLY H 1.0 1.805 3.697 959 906 A 19 ILE HA A 19 ILE HB 1.0 1.618 2.884 960 907 A 19 ILE HG1x A 19 ILE HB 1.0 1.645 2.985 961 908 A 19 ILE HG1y A 19 ILE HB 1.0 1.737 3.361 962 909 A 19 ILE HG2% A 19 ILE HB 1.0 1.460 2.384 963 910 A 80 ILE H A 80 ILE HB 1.0 1.615 2.875 964 911 A 80 ILE HB A 80 ILE HG1y 1.0 1.734 3.352 965 912 A 80 ILE HB A 95 VAL HGy% 1.0 1.939 4.665 966 913 A 80 ILE HB A 80 ILE HG1x 1.0 1.789 3.613 967 914 A 13 GLU H A 13 GLU HGx 1.0 1.773 3.533 968 915 A 35 GLN H A 35 GLN HGy 1.0 1.901 4.321 969 916 A 35 GLN HGy A 52 LYS HA 1.0 1.862 4.040 970 917 A 52 LYS HA A 35 GLN HGx 1.0 1.929 4.567 971 918 A 35 GLN HA A 35 GLN HGx 1.0 1.796 3.648 972 919 A 35 GLN HGy A 35 GLN HGx 1.0 1.496 2.490 973 920 A 53 LEU HBx A 35 GLN HGy 1.0 1.859 4.015 974 921 A 38 LEU HDx% A 35 GLN HGy 1.0 1.908 4.372 975 922 A 95 VAL HB A 95 VAL H 1.0 1.786 3.596 976 923 A 95 VAL HA A 95 VAL HB 1.0 1.855 3.991 977 924 A 48 VAL HB A 49 GLU H 1.0 1.885 4.195 978 925 A 48 VAL HB A 48 VAL H 1.0 1.592 2.792 979 926 A 48 VAL HB A 68 VAL HGy% 1.0 1.904 4.340 980 927 A 91 LYS HGx A 91 LYS HBy 1.0 1.767 3.501 981 928 A 93 ILE HG2% A 91 LYS HBy 1.0 1.909 4.379 982 929 A 91 LYS HBy A 91 LYS HBx 1.0 1.516 2.550 983 930 A 58 VAL HB A 59 ALA H 1.0 1.628 2.922 984 931 A 58 VAL H A 58 VAL HB 1.0 1.575 2.739 985 932 A 58 VAL HB A 59 ALA HB% 1.0 1.808 3.712 986 933 A 57 LYS H A 57 LYS HBy 1.0 1.711 3.245 987 934 A 57 LYS H A 57 LYS HBx 1.0 1.755 3.443 988 935 A 58 VAL H A 57 LYS HBx 1.0 1.862 4.036 989 936 A 57 LYS HA A 57 LYS HBy 1.0 1.669 3.077 990 937 A 57 LYS HA A 57 LYS HBx 1.0 1.656 3.026 991 938 A 58 VAL HGy% A 57 LYS HBx 1.0 1.873 4.109 992 939 A 58 VAL HGy% A 57 LYS HBy 1.0 1.812 3.734 993 940 A 30 PRO HBx A 33 MET H 1.0 1.881 4.167 994 941 A 30 PRO HA A 30 PRO HBy 1.0 1.693 3.173 995 942 A 21 ARG HBy A 97 TYR HA 1.0 1.887 4.209 996 943 A 100 PRO HBx A 100 PRO HDy 1.0 1.775 3.545 997 944 A 30 PRO HBy A 30 PRO HDx 1.0 1.921 4.485 998 945 A 100 PRO HBy A 100 PRO HBx 1.0 1.408 2.240 999 946 A 100 PRO HBy A 100 PRO HDy 1.0 1.822 3.794 1000 947 A 72 THR HG2% A 71 VAL HB 1.0 1.840 3.896 1001 948 A 34 THR H A 33 MET HGx 1.0 1.842 3.908 1002 949 A 33 MET HGx A 33 MET HGy 1.0 1.487 2.461 1003 950 A 38 LEU H A 33 MET HGx 1.0 1.913 4.419 1004 951 A 89 GLN HGy A 89 GLN HE22 1.0 1.880 4.164 1005 952 A 88 LEU HA A 89 GLN HGy 1.0 1.927 4.553 1006 953 A 89 GLN HA A 89 GLN HGy 1.0 1.650 3.004 1007 954 A 89 GLN HGy A 88 LEU HB2 1.0 1.847 3.941 1008 955 A 89 GLN HBx A 89 GLN HGy 1.0 1.455 2.371 1009 956 A 33 MET HGx A 89 GLN HGy 1.0 1.878 4.148 1010 957 A 89 GLN H A 89 GLN HGx 1.0 1.843 3.917 1011 958 A 89 GLN HE21 A 89 GLN HGx 1.0 1.849 3.949 1012 959 A 89 GLN HA A 89 GLN HGx 1.0 1.791 3.625 1013 960 A 11 MET HGx A 11 MET HA 1.0 1.892 4.248 1014 961 A 75 ASP H A 74 LYS HBx 1.0 1.828 3.830 1015 962 A 74 LYS HBx A 74 LYS HA 1.0 1.689 3.157 1016 963 A 74 LYS HBy A 74 LYS HA 1.0 1.669 3.075 1017 964 A 21 ARG H A 21 ARG HBx 1.0 1.799 3.663 1018 965 A 21 ARG HBy A 97 TYR HDx 1.0 1.920 4.480 1019 965 A 21 ARG HBy A 97 TYR HDy 1.0 1.920 4.480 1020 966 A 76 ALA H A 74 LYS HBy 1.0 1.955 4.841 1021 967 A 21 ARG HA A 21 ARG HBx 1.0 1.887 4.205 1022 968 A 16 ARG HA A 16 ARG HBx 1.0 1.753 3.433 1023 969 A 21 ARG HDy A 21 ARG HBx 1.0 1.933 4.597 1024 970 A 21 ARG HDx A 21 ARG HBx 1.0 1.907 4.367 1025 971 A 37 GLU HBy A 33 MET HGx 1.0 1.912 4.412 1026 972 A 21 ARG HBy A 21 ARG HBx 1.0 1.526 2.578 1027 973 A 97 TYR HDx A 21 ARG HBx 1.0 1.944 4.716 1028 973 A 97 TYR HDy A 21 ARG HBx 1.0 1.944 4.716 1029 974 A 10 HIS H A 10 HIS HBx 1.0 1.875 4.121 1030 975 A 10 HIS HBx A 10 HIS HA 1.0 1.784 3.586 1031 976 A 10 HIS HBx A 10 HIS HBy 1.0 1.193 1.727 1032 977 A 62 SER H A 61 HIS HB2 1.0 1.813 3.745 1033 978 A 61 HIS H A 61 HIS HB3 1.0 1.750 3.422 1034 979 A 80 ILE HG1y A 95 VAL HGy% 1.0 1.794 3.640 1035 980 A 80 ILE HG1y A 80 ILE HG1x 1.0 1.582 2.760 1036 981 A 26 VAL H A 25 ILE HG1y 1.0 1.761 3.477 1037 982 A 25 ILE HG1y A 67 PHE HEx 1.0 1.934 4.614 1038 982 A 25 ILE HG1y A 67 PHE HEy 1.0 1.934 4.614 1039 983 A 25 ILE HA A 25 ILE HG1x 1.0 1.875 4.121 1040 984 A 27 ASN HBx A 25 ILE HG1x 1.0 1.948 4.766 1041 985 A 25 ILE HB A 25 ILE HG1x 1.0 1.832 3.846 1042 986 A 25 ILE HG1y A 25 ILE HG1x 1.0 1.591 2.793 1043 987 A 25 ILE HG1y A 65 TYR HDx 1.0 1.849 3.951 1044 987 A 25 ILE HG1y A 65 TYR HDy 1.0 1.849 3.951 1045 988 A 70 TYR HDx A 24 LEU HDy% 1.0 1.726 3.312 1046 988 A 70 TYR HDy A 24 LEU HDy% 1.0 1.726 3.312 1047 989 A 80 ILE HG1y A 24 LEU HDy% 1.0 1.679 3.113 1048 990 A 24 LEU HDy% A 68 VAL HGy% 1.0 1.798 3.660 1049 991 A 80 ILE HD1% A 24 LEU HDy% 1.0 1.804 3.690 1050 992 A 24 LEU HBy A 24 LEU HDy% 1.0 1.561 2.691 1051 993 A 86 LEU H A 93 ILE HG1y 1.0 1.901 4.319 1052 994 A 83 LEU HDy% A 86 LEU HG 1.0 1.594 2.802 1053 995 A 95 VAL H A 94 LYS HGy 1.0 1.870 4.094 1054 996 A 94 LYS HA A 94 LYS HGx 1.0 1.845 3.923 1055 997 A 94 LYS HGy A 94 LYS HGx 1.0 1.279 1.919 1056 998 A 95 VAL HA A 94 LYS HGy 1.0 1.891 4.237 1057 999 A 74 LYS HA A 74 LYS HG3 1.0 1.763 3.479 1058 1000 A 91 LYS HGx A 91 LYS HA 1.0 1.900 4.314 1059 1001 A 91 LYS HGy A 91 LYS HA 1.0 1.748 3.414 1060 1002 A 91 LYS HGy A 91 LYS HBy 1.0 1.742 3.384 1061 1003 A 91 LYS HGy A 91 LYS HBx 1.0 1.722 3.296 1062 1004 A 91 LYS HGx A 91 LYS HBx 1.0 1.692 3.170 1063 1005 A 67 PHE HBy A 52 LYS HDx 1.0 1.920 4.480 1064 1006 A 90 SER H A 89 GLN HBx 1.0 1.831 3.845 1065 1007 A 89 GLN HA A 89 GLN HBy 1.0 1.701 3.209 1066 1008 A 16 ARG HGy A 16 ARG H 1.0 1.843 3.919 1067 1009 A 16 ARG HGx A 16 ARG H 1.0 1.843 3.921 1068 1010 A 16 ARG HA A 16 ARG HGy 1.0 1.797 3.653 1069 1011 A 24 LEU HDx% A 24 LEU HG 1.0 1.722 3.294 1070 1012 A 24 LEU HDy% A 24 LEU HG 1.0 1.748 3.412 1071 1013 A 24 LEU HBy A 24 LEU HG 1.0 1.797 3.653 1072 1014 A 34 THR H A 37 GLU HBx 1.0 1.900 4.316 1073 1015 A 38 LEU H A 37 GLU HBx 1.0 1.894 4.266 1074 1016 A 37 GLU HBx A 37 GLU H 1.0 1.840 3.894 1075 1017 A 33 MET HA A 37 GLU HBx 1.0 1.951 4.797 1076 1018 A 37 GLU HBy A 33 MET HGy 1.0 1.901 4.319 1077 1019 A 34 THR H A 37 GLU HBy 1.0 1.869 4.085 1078 1020 A 74 LYS HA A 77 GLU HB3 1.0 1.774 3.536 1079 1021 A 34 THR HB A 35 GLN HB3 1.0 1.903 4.337 1080 1022 A 49 GLU HBy A 49 GLU HA 1.0 1.814 3.746 1081 1023 A 94 LYS HGy A 94 LYS HDx 1.0 1.604 2.836 1082 1024 A 39 ARG HBx A 39 ARG HBy 1.0 1.407 2.235 1083 1025 A 48 VAL H A 47 GLU HB3 1.0 1.817 3.763 1084 1026 A 13 GLU HBy A 13 GLU HA 1.0 1.666 3.064 1085 1027 A 49 GLU HBx A 49 GLU HBy 1.0 1.529 2.589 1086 1028 A 49 GLU HBy A 69 ASN HD21 1.0 1.838 3.884 1087 1029 A 28 TYR HEy A 94 LYS HDy 1.0 1.892 4.250 1088 1029 A 28 TYR HEx A 94 LYS HDy 1.0 1.892 4.250 1089 1030 A 87 ARG HA A 87 ARG HBx 1.0 1.782 3.576 1090 1031 A 87 ARG HA A 87 ARG HBy 1.0 1.768 3.510 1091 1032 A 75 ASP HBx A 74 LYS HD3 1.0 1.916 4.444 1092 1033 A 92 THR H A 91 LYS HDy 1.0 1.885 4.199 1093 1034 A 91 LYS HA A 91 LYS HDy 1.0 1.758 3.460 1094 1035 A 91 LYS HA A 91 LYS HDx 1.0 1.754 3.438 1095 1036 A 91 LYS HEy A 91 LYS HDx 1.0 1.789 3.611 1096 1037 A 91 LYS HBy A 91 LYS HDy 1.0 1.799 3.665 1097 1038 A 91 LYS HBy A 91 LYS HDx 1.0 1.749 3.417 1098 1039 A 39 ARG HGy A 39 ARG HGx 1.0 1.519 2.557 1099 1040 A 45 ILE HG2% A 78 ARG HG2 1.0 1.767 3.499 1100 1041 A 92 THR HA A 91 LYS HDy 1.0 1.901 4.319 1101 1042 A 39 ARG HA A 39 ARG HGx 1.0 1.892 4.248 1102 1043 A 45 ILE HD1% A 78 ARG HG2 1.0 1.835 3.865 1103 1044 A 91 LYS HBx A 91 LYS HDy 1.0 1.772 3.526 1104 1045 A 54 ILE H A 53 LEU HG 1.0 1.763 3.485 1105 1046 A 39 ARG HBx A 39 ARG HGy 1.0 1.825 3.809 1106 1047 A 19 ILE HG1y A 16 ARG HGx 1.0 1.862 4.036 1107 1048 A 21 ARG HG3 A 21 ARG H 1.0 1.766 3.498 1108 1049 A 83 LEU H A 45 ILE HG1y 1.0 1.859 4.017 1109 1050 A 45 ILE H A 45 ILE HG1y 1.0 1.799 3.663 1110 1051 A 38 LEU HBy A 38 LEU HG 1.0 1.686 3.146 1111 1052 A 33 MET HE% A 38 LEU HG 1.0 1.895 4.271 1112 1053 A 45 ILE HG1y A 45 ILE HD1% 1.0 1.665 3.059 1113 1054 A 83 LEU HDx% A 45 ILE HG1y 1.0 1.793 3.633 1114 1055 A 68 VAL HGx% A 38 LEU HG 1.0 1.778 3.556 1115 1056 A 83 LEU H A 83 LEU HG 1.0 1.752 3.432 1116 1057 A 19 ILE HG1y A 19 ILE HG1x 1.0 1.343 2.073 1117 1058 A 66 GLY HAy A 54 ILE HG12 1.0 1.850 3.954 1118 1059 A 54 ILE H A 54 ILE HG12 1.0 1.822 3.792 1119 1060 A 19 ILE HG1x A 21 ARG H 1.0 1.905 4.351 1120 1061 A 88 LEU HA A 88 LEU HG 1.0 1.800 3.672 1121 1062 A 93 ILE HG1y A 93 ILE HG1x 1.0 1.498 2.494 1122 1063 A 55 ARG HA A 55 ARG HG2 1.0 1.839 3.895 1123 1064 A 45 ILE HG1x A 45 ILE HG1y 1.0 1.418 2.268 1124 1065 A 67 PHE HEx A 54 ILE HG13 1.0 1.900 4.318 1125 1065 A 67 PHE HEy A 54 ILE HG13 1.0 1.900 4.318 1126 1066 A 19 ILE HG1y A 16 ARG HBy 1.0 1.809 3.717 1127 1067 A 54 ILE HG2% A 54 ILE HG13 1.0 1.619 2.889 1128 1068 A 53 LEU HA A 54 ILE HG12 1.0 1.897 4.285 1129 1069 A 41 LEU HG A 86 LEU HG 1.0 1.825 3.809 1130 1070 A 69 ASN HA A 68 VAL HGy% 1.0 1.892 4.254 1131 1071 A 69 ASN HA A 69 ASN HD21 1.0 1.894 4.264 1132 1072 A 69 ASN HBy A 23 ASN HA 1.0 1.893 4.257 1133 1073 A 24 LEU HA A 24 LEU HDy% 1.0 1.830 3.838 1134 1074 A 27 ASN HA A 27 ASN HBx 1.0 1.671 3.085 1135 1075 A 65 TYR HA A 27 ASN HA 1.0 1.633 2.941 1136 1076 A 73 ALA H A 72 THR HA 1.0 1.512 2.538 1137 1077 A 95 VAL H A 80 ILE HA 1.0 1.949 4.767 1138 1078 A 83 LEU H A 82 THR HA 1.0 1.777 3.551 1139 1079 A 82 THR H A 82 THR HA 1.0 1.658 3.034 1140 1080 A 82 THR HB A 82 THR HA 1.0 1.631 2.931 1141 1081 A 48 VAL HA A 70 TYR HBx 1.0 1.897 4.291 1142 1082 A 34 THR HA A 36 ASP H 1.0 1.890 4.234 1143 1083 A 80 ILE HG1y A 77 GLU HA 1.0 1.848 3.948 1144 1084 A 55 ARG H A 54 ILE HA 1.0 1.448 2.348 1145 1085 A 54 ILE HA A 54 ILE HB 1.0 1.665 3.059 1146 1086 A 54 ILE HD1% A 54 ILE HA 1.0 1.498 2.492 1147 1087 A 54 ILE H A 54 ILE HA 1.0 1.741 3.383 1148 1088 A 81 ASN HD21 A 78 ARG HA 1.0 1.840 3.902 1149 1089 A 37 GLU HA A 37 GLU H 1.0 1.676 3.104 1150 1090 A 49 GLU H A 49 GLU HA 1.0 1.742 3.384 1151 1091 A 74 LYS H A 74 LYS HA 1.0 1.636 2.950 1152 1092 A 49 GLU HA A 49 GLU HGx 1.0 1.417 2.263 1153 1093 A 49 GLU HBx A 49 GLU HA 1.0 1.454 2.364 1154 1094 A 38 LEU HDy% A 38 LEU HA 1.0 1.480 2.440 1155 1095 A 7 TYR H A 7 TYR HA 1.0 1.734 3.348 1156 1096 A 7 TYR HDy A 7 TYR HA 1.0 1.721 3.289 1157 1096 A 7 TYR HDx A 7 TYR HA 1.0 1.721 3.289 1158 1097 A 63 LEU H A 62 SER HA 1.0 1.524 2.574 1159 1098 A 101 SER H A 101 SER HA 1.0 1.429 2.297 1160 1099 A 55 ARG HA A 62 SER HA 1.0 1.609 2.855 1161 1100 A 101 SER HBy A 101 SER HA 1.0 1.451 2.357 1162 1101 A 55 ARG HG2 A 62 SER HA 1.0 1.700 3.198 1163 1102 A 53 LEU HDy% A 62 SER HA 1.0 1.821 3.789 1164 1103 A 89 GLN HA A 88 LEU HDy% 1.0 1.945 4.723 1165 1104 A 70 TYR HBx A 76 ALA HA 1.0 1.926 4.528 1166 1105 A 75 ASP HA A 78 ARG H 1.0 1.711 3.247 1167 1106 A 75 ASP H A 75 ASP HA 1.0 1.673 3.093 1168 1107 A 76 ALA H A 75 ASP HA 1.0 1.743 3.391 1169 1108 A 75 ASP HA A 75 ASP HBx 1.0 1.682 3.126 1170 1109 A 9 ASP H A 8 GLU HA 1.0 1.545 2.639 1171 1110 A 45 ILE HG2% A 75 ASP HA 1.0 1.672 3.086 1172 1111 A 83 LEU HDx% A 83 LEU HA 1.0 1.825 3.813 1173 1112 A 22 THR HA A 73 ALA HA 1.0 1.682 3.126 1174 1113 A 33 MET H A 32 ASN HA 1.0 1.746 3.402 1175 1114 A 100 PRO HDy A 17 GLY HA3 1.0 1.869 4.085 1176 1115 A 100 PRO HDx A 17 GLY HA3 1.0 1.878 4.148 1177 1116 A 97 TYR HBx A 100 PRO HDx 1.0 1.938 4.660 1178 1117 A 30 PRO HBy A 30 PRO HDy 1.0 1.903 4.337 1179 1118 A 30 PRO HDy A 29 LEU HBy 1.0 1.943 4.699 1180 1119 A 30 PRO HDx A 29 LEU HBy 1.0 1.904 4.340 1181 1120 A 47 GLU H A 47 GLU HGy 1.0 1.744 3.392 1182 1121 A 9 ASP H A 8 GLU HGx 1.0 1.873 4.107 1183 1122 A 49 GLU HBx A 49 GLU HGx 1.0 1.630 2.926 1184 1123 A 71 VAL HGx% A 49 GLU HGx 1.0 1.692 3.168 1185 1124 A 81 ASN HD22 A 77 GLU HGx 1.0 1.896 4.272 1186 1125 A 81 ASN HD22 A 77 GLU HGy 1.0 1.873 4.111 1187 1126 A 77 GLU HA A 77 GLU HGx 1.0 1.765 3.491 1188 1127 A 77 GLU HA A 77 GLU HGy 1.0 1.769 3.513 1189 1128 A 49 GLU H A 49 GLU HGy 1.0 1.897 4.291 1190 1129 A 48 VAL H A 47 GLU HGx 1.0 1.839 3.889 1191 1130 A 49 GLU HA A 49 GLU HGy 1.0 1.686 3.144 1192 1131 A 13 GLU H A 13 GLU HGy 1.0 1.826 3.814 1193 1132 A 37 GLU H A 37 GLU HGy 1.0 1.812 3.732 1194 1133 A 37 GLU HA A 37 GLU HBx 1.0 1.763 3.485 1195 1134 A 34 THR HB A 37 GLU HGx 1.0 1.908 4.382 1196 1135 A 37 GLU HBy A 37 GLU HGx 1.0 1.716 3.270 1197 1136 A 33 MET HGy A 37 GLU HGy 1.0 1.886 4.200 1198 1137 A 37 GLU HBy A 37 GLU HGy 1.0 1.723 3.301 1199 1138 A 69 ASN HD21 A 49 GLU HGx 1.0 1.859 4.021 1200 1139 A 69 ASN HD22 A 49 GLU HGy 1.0 1.930 4.568 1201 1140 A 49 GLU HBx A 49 GLU HGy 1.0 1.651 3.009 1202 1141 A 69 ASN HBy A 49 GLU HGy 1.0 1.935 4.629 1203 1142 A 81 ASN HD21 A 77 GLU HGx 1.0 1.917 4.449 1204 1143 A 11 MET HA A 11 MET HE% 1.0 1.950 4.790 1205 1144 A 8 GLU HA A 11 MET HE% 1.0 1.807 3.709 1206 1145 A 11 MET HGx A 11 MET HE% 1.0 1.928 4.554 1207 1146 A 11 MET HE% A 11 MET HGy 1.0 1.886 4.208 1208 1147 A 11 MET HE% A 8 GLU HGy 1.0 1.573 2.731 1209 1148 A 11 MET HE% A 8 GLU HB3 1.0 1.391 2.193 1210 1149 A 12 ALA HB% A 11 MET HE% 1.0 1.709 3.237 1211 1150 A 93 ILE HG2% A 33 MET HE% 1.0 1.669 3.077 1212 1151 A 70 TYR HEx A 42 PHE HBy 1.0 1.937 4.647 1213 1151 A 70 TYR HEy A 42 PHE HBy 1.0 1.937 4.647 1214 1152 A 66 GLY H A 65 TYR HBy 1.0 1.905 4.351 1215 1153 A 65 TYR HDx A 65 TYR HBx 1.0 1.794 3.640 1216 1153 A 65 TYR HDy A 65 TYR HBx 1.0 1.794 3.640 1217 1154 A 65 TYR HDx A 65 TYR HBy 1.0 1.805 3.695 1218 1154 A 65 TYR HDy A 65 TYR HBy 1.0 1.805 3.695 1219 1155 A 28 TYR H A 65 TYR HBx 1.0 1.944 4.712 1220 1156 A 65 TYR HA A 65 TYR HBx 1.0 1.770 3.516 1221 1157 A 65 TYR HA A 65 TYR HBy 1.0 1.777 3.553 1222 1158 A 27 ASN HA A 65 TYR HBx 1.0 1.837 3.879 1223 1159 A 27 ASN HA A 65 TYR HBy 1.0 1.833 3.855 1224 1160 A 24 LEU HA A 97 TYR HA 1.0 1.557 2.677 1225 1161 A 24 LEU HDy% A 42 PHE HEx 1.0 1.663 3.053 1226 1161 A 24 LEU HDy% A 42 PHE HEy 1.0 1.663 3.053 1227 1162 A 95 VAL HB A 42 PHE HEy 1.0 1.870 4.094 1228 1162 A 95 VAL HB A 42 PHE HEx 1.0 1.870 4.094 1229 1163 A 95 VAL HA A 42 PHE HEy 1.0 1.865 4.055 1230 1163 A 95 VAL HA A 42 PHE HEx 1.0 1.865 4.055 1231 1164 A 65 TYR H A 65 TYR HDx 1.0 1.653 3.017 1232 1164 A 65 TYR H A 65 TYR HDy 1.0 1.653 3.017 1233 1165 A 66 GLY H A 65 TYR HDx 1.0 1.711 3.247 1234 1165 A 66 GLY H A 65 TYR HDy 1.0 1.711 3.247 1235 1166 A 42 PHE HA A 42 PHE HDy 1.0 1.703 3.215 1236 1166 A 42 PHE HA A 42 PHE HDx 1.0 1.703 3.215 1237 1167 A 42 PHE HBy A 42 PHE HDy 1.0 1.642 2.974 1238 1167 A 42 PHE HBy A 42 PHE HDx 1.0 1.642 2.974 1239 1168 A 42 PHE HBx A 42 PHE HDy 1.0 1.666 3.066 1240 1168 A 42 PHE HBx A 42 PHE HDx 1.0 1.666 3.066 1241 1169 A 41 LEU HBy A 42 PHE HDy 1.0 1.826 3.816 1242 1169 A 41 LEU HBy A 42 PHE HDx 1.0 1.826 3.816 1243 1170 A 42 PHE HDy A 79 ALA HB% 1.0 1.714 3.262 1244 1170 A 42 PHE HDx A 79 ALA HB% 1.0 1.714 3.262 1245 1171 A 42 PHE HDy A 42 PHE HEx 1.0 1.668 3.074 1246 1171 A 42 PHE HDy A 42 PHE HEy 1.0 1.668 3.074 1247 1171 A 42 PHE HDx A 42 PHE HEy 1.0 1.668 3.074 1248 1171 A 42 PHE HDx A 42 PHE HEx 1.0 1.668 3.074 1249 1172 A 24 LEU HDy% A 42 PHE HDy 1.0 1.800 3.666 1250 1172 A 24 LEU HDy% A 42 PHE HDx 1.0 1.800 3.666 1251 1173 A 42 PHE HDy A 38 LEU HA 1.0 1.744 3.390 1252 1173 A 42 PHE HDx A 38 LEU HA 1.0 1.744 3.390 1253 1174 A 41 LEU HDx% A 42 PHE HDx 1.0 1.666 3.068 1254 1174 A 41 LEU HDx% A 42 PHE HDy 1.0 1.666 3.068 1255 1175 A 42 PHE HZ A 79 ALA HB% 1.0 1.845 3.923 1256 1176 A 97 TYR HDx A 97 TYR HA 1.0 1.574 2.734 1257 1176 A 97 TYR HDy A 97 TYR HA 1.0 1.574 2.734 1258 1177 A 97 TYR HDx A 97 TYR HBx 1.0 1.622 2.902 1259 1177 A 97 TYR HDy A 97 TYR HBx 1.0 1.622 2.902 1260 1178 A 97 TYR HDx A 97 TYR HBy 1.0 1.577 2.743 1261 1178 A 97 TYR HDy A 97 TYR HBy 1.0 1.577 2.743 1262 1179 A 97 TYR H A 97 TYR HDx 1.0 1.719 3.281 1263 1179 A 97 TYR H A 97 TYR HDy 1.0 1.719 3.281 1264 1180 A 28 TYR HDy A 94 LYS HBx 1.0 1.792 3.628 1265 1180 A 28 TYR HDx A 94 LYS HBx 1.0 1.792 3.628 1266 1181 A 71 VAL H A 70 TYR HDx 1.0 1.863 4.049 1267 1181 A 71 VAL H A 70 TYR HDy 1.0 1.863 4.049 1268 1182 A 97 TYR HDx A 97 TYR HEx 1.0 1.409 2.241 1269 1182 A 97 TYR HDx A 97 TYR HEy 1.0 1.409 2.241 1270 1182 A 97 TYR HDy A 97 TYR HEx 1.0 1.409 2.241 1271 1182 A 97 TYR HDy A 97 TYR HEy 1.0 1.409 2.241 1272 1183 A 97 TYR HEx A 10 HIS HBy 1.0 1.878 4.152 1273 1183 A 97 TYR HEy A 10 HIS HBy 1.0 1.878 4.152 1274 1184 A 76 ALA HB% A 97 TYR HEy 1.0 1.610 2.858 1275 1184 A 76 ALA HB% A 97 TYR HEx 1.0 1.610 2.858 1276 1185 A 63 LEU HBy A 65 TYR HEx 1.0 1.662 3.048 1277 1185 A 63 LEU HBy A 65 TYR HEy 1.0 1.662 3.048 1278 1186 A 65 TYR HEx A 54 ILE HG2% 1.0 1.585 2.771 1279 1186 A 65 TYR HEy A 54 ILE HG2% 1.0 1.585 2.771 1280 1187 A 80 ILE HD1% A 97 TYR HEy 1.0 1.669 3.073 1281 1187 A 80 ILE HD1% A 97 TYR HEx 1.0 1.669 3.073 1282 1188 A 28 TYR HEy A 7 TYR HDy 1.0 1.383 2.175 1283 1188 A 28 TYR HEx A 7 TYR HDy 1.0 1.383 2.175 1284 1188 A 28 TYR HEy A 7 TYR HDx 1.0 1.383 2.175 1285 1188 A 28 TYR HEx A 7 TYR HDx 1.0 1.383 2.175 1286 1189 A 70 TYR HEx A 42 PHE HDx 1.0 1.597 2.813 1287 1189 A 70 TYR HEx A 42 PHE HDy 1.0 1.597 2.813 1288 1189 A 70 TYR HEy A 42 PHE HDy 1.0 1.597 2.813 1289 1189 A 70 TYR HEy A 42 PHE HDx 1.0 1.597 2.813 1290 1190 A 70 TYR HEy A 24 LEU HDy% 1.0 1.560 2.690 1291 1190 A 70 TYR HEx A 24 LEU HDy% 1.0 1.560 2.690 1292 1191 A 70 TYR HEx A 48 VAL HGy% 1.0 1.649 2.999 1293 1191 A 70 TYR HEy A 48 VAL HGy% 1.0 1.649 2.999 1294 1192 A 10 HIS HE1 A 5 ASN HD21 1.0 1.795 3.643 1295 1193 A 28 TYR HDy A 28 TYR HBx 1.0 1.737 3.363 1296 1193 A 28 TYR HDx A 28 TYR HBx 1.0 1.737 3.363 1297 1194 A 28 TYR HDy A 28 TYR HEy 1.0 1.525 2.575 1298 1194 A 28 TYR HDy A 28 TYR HEx 1.0 1.525 2.575 1299 1194 A 28 TYR HDx A 28 TYR HEy 1.0 1.525 2.575 1300 1194 A 28 TYR HDx A 28 TYR HEx 1.0 1.525 2.575 1301 1195 A 28 TYR HEy A 94 LYS HDx 1.0 1.473 2.421 1302 1195 A 28 TYR HEx A 94 LYS HDx 1.0 1.473 2.421 1303 1196 A 67 PHE HDx A 67 PHE HEy 1.0 1.412 2.250 1304 1196 A 67 PHE HDx A 67 PHE HEx 1.0 1.412 2.250 1305 1196 A 67 PHE HDy A 67 PHE HEx 1.0 1.412 2.250 1306 1196 A 67 PHE HDy A 67 PHE HEy 1.0 1.412 2.250 1307 1197 A 67 PHE HDx A 66 GLY HAy 1.0 1.853 3.977 1308 1197 A 67 PHE HDy A 66 GLY HAy 1.0 1.853 3.977 1309 1198 A 67 PHE HDx A 67 PHE HBx 1.0 1.765 3.495 1310 1198 A 67 PHE HDy A 67 PHE HBx 1.0 1.765 3.495 1311 1199 A 67 PHE HDx A 67 PHE HBy 1.0 1.746 3.406 1312 1199 A 67 PHE HDy A 67 PHE HBy 1.0 1.746 3.406 1313 1200 A 63 LEU HDy% A 61 HIS HD2 1.0 1.701 3.207 1314 1201 A 10 HIS HBy A 10 HIS HD2 1.0 1.732 3.338 1315 1202 A 97 TYR HEx A 10 HIS HD2 1.0 1.681 3.123 1316 1202 A 97 TYR HEy A 10 HIS HD2 1.0 1.681 3.123 1317 1203 A 98 ALA HB% A 67 PHE HEy 1.0 1.738 3.368 1318 1203 A 98 ALA HB% A 67 PHE HEx 1.0 1.738 3.368 1319 1204 A 67 PHE HEx A 65 TYR HEy 1.0 1.626 2.916 1320 1204 A 67 PHE HEx A 65 TYR HEx 1.0 1.626 2.916 1321 1204 A 67 PHE HEy A 65 TYR HEx 1.0 1.626 2.916 1322 1204 A 67 PHE HEy A 65 TYR HEy 1.0 1.626 2.916 1323 1205 A 24 LEU H A 68 VAL H 1.0 1.861 4.029 1324 1206 A 24 LEU H A 24 LEU HA 1.0 1.893 4.257 1325 1207 A 24 LEU H A 24 LEU HBx 1.0 1.759 3.461 1326 1208 A 24 LEU H A 24 LEU HDy% 1.0 1.963 4.955 1327 1209 A 49 GLU HBx A 49 GLU H 1.0 1.798 3.658 1328 1210 A 49 GLU H A 49 GLU HBy 1.0 1.769 3.513 1329 1211 A 49 GLU H A 49 GLU HGx 1.0 1.929 4.561 1330 1212 A 49 GLU H A 68 VAL HGy% 1.0 1.971 5.055 1331 1213 A 48 VAL H A 47 GLU H 1.0 1.945 4.727 1332 1214 A 48 VAL HGy% A 48 VAL H 1.0 1.754 3.438 1333 1215 A 48 VAL H A 47 GLU HGy 1.0 1.910 4.388 1334 1216 A 88 LEU H A 88 LEU HA 1.0 1.794 3.638 1335 1217 A 88 LEU H A 91 LYS HBx 1.0 1.943 4.707 1336 1218 A 88 LEU H A 88 LEU HB3 1.0 1.673 3.089 1337 1219 A 88 LEU H A 89 GLN H 1.0 1.955 4.851 1338 1220 A 92 THR HA A 88 LEU H 1.0 1.835 3.865 1339 1221 A 88 LEU H A 93 ILE HG2% 1.0 1.903 4.337 1340 1222 A 67 PHE HA A 26 VAL H 1.0 1.899 4.299 1341 1223 A 26 VAL HA A 26 VAL H 1.0 1.869 4.081 1342 1224 A 26 VAL HB A 26 VAL H 1.0 1.776 3.550 1343 1225 A 26 VAL H A 25 ILE HG1x 1.0 1.792 3.630 1344 1226 A 53 LEU HBy A 54 ILE H 1.0 1.957 4.873 1345 1227 A 54 ILE H A 54 ILE HB 1.0 1.669 3.075 1346 1228 A 29 LEU HDx% A 54 ILE H 1.0 1.963 4.947 1347 1229 A 35 GLN H A 53 LEU H 1.0 1.949 4.779 1348 1230 A 53 LEU H A 35 GLN HGx 1.0 1.970 5.046 1349 1231 A 53 LEU H A 35 GLN HGy 1.0 1.835 3.869 1350 1232 A 53 LEU H A 53 LEU HBy 1.0 1.684 3.138 1351 1233 A 53 LEU H A 53 LEU HBx 1.0 1.749 3.417 1352 1234 A 56 ASP H A 63 LEU H 1.0 1.960 4.902 1353 1235 A 55 ARG HA A 63 LEU H 1.0 1.763 3.483 1354 1236 A 63 LEU HA A 63 LEU H 1.0 1.813 3.737 1355 1237 A 63 LEU H A 63 LEU HBx 1.0 1.892 4.244 1356 1238 A 63 LEU HG A 63 LEU H 1.0 1.719 3.285 1357 1239 A 63 LEU H A 64 GLY H 1.0 1.763 3.485 1358 1240 A 70 TYR H A 70 TYR HDx 1.0 1.831 3.843 1359 1240 A 70 TYR H A 70 TYR HDy 1.0 1.831 3.843 1360 1241 A 70 TYR H A 70 TYR HA 1.0 1.874 4.114 1361 1242 A 70 TYR H A 70 TYR HBy 1.0 1.822 3.788 1362 1243 A 70 TYR H A 70 TYR HBx 1.0 1.754 3.436 1363 1244 A 70 TYR H A 22 THR HG2% 1.0 1.946 4.738 1364 1245 A 88 LEU H A 87 ARG H 1.0 1.926 4.532 1365 1246 A 87 ARG H A 86 LEU H 1.0 1.937 4.639 1366 1247 A 87 ARG H A 87 ARG HBx 1.0 1.622 2.898 1367 1248 A 87 ARG H A 87 ARG HG2 1.0 1.699 3.195 1368 1249 A 31 GLN H A 91 LYS HEy 1.0 1.952 4.798 1369 1250 A 31 GLN H A 31 GLN HG2 1.0 1.847 3.941 1370 1251 A 31 GLN H A 31 GLN HB2 1.0 1.719 3.279 1371 1252 A 31 GLN H A 30 PRO HBx 1.0 1.946 4.736 1372 1253 A 27 ASN H A 95 VAL HA 1.0 1.869 4.087 1373 1254 A 27 ASN H A 27 ASN HBx 1.0 1.772 3.524 1374 1255 A 27 ASN H A 94 LYS HBx 1.0 1.823 3.799 1375 1256 A 27 ASN H A 26 VAL HGx% 1.0 1.890 4.234 1376 1257 A 56 ASP H A 55 ARG H 1.0 1.951 4.797 1377 1258 A 55 ARG HA A 55 ARG H 1.0 1.827 3.825 1378 1259 A 25 ILE H A 98 ALA H 1.0 1.879 4.157 1379 1260 A 98 ALA H A 97 TYR HA 1.0 1.613 2.869 1380 1261 A 69 ASN H A 69 ASN HBx 1.0 1.804 3.690 1381 1262 A 69 ASN H A 69 ASN HBy 1.0 1.814 3.748 1382 1263 A 98 ALA HB% A 98 ALA H 1.0 1.666 3.064 1383 1264 A 69 ASN H A 51 ALA HB% 1.0 1.933 4.611 1384 1265 A 69 ASN H A 68 VAL HGy% 1.0 1.802 3.676 1385 1266 A 69 ASN H A 68 VAL HGx% 1.0 1.955 4.851 1386 1267 A 79 ALA H A 78 ARG H 1.0 1.691 3.163 1387 1268 A 79 ALA H A 78 ARG HA 1.0 1.885 4.197 1388 1269 A 79 ALA H A 24 LEU HDy% 1.0 1.961 4.915 1389 1270 A 80 ILE H A 79 ALA H 1.0 1.761 3.477 1390 1271 A 79 ALA H A 75 ASP HA 1.0 1.958 4.880 1391 1272 A 57 LYS H A 56 ASP HA 1.0 1.571 2.723 1392 1273 A 57 LYS H A 56 ASP HBx 1.0 1.862 4.034 1393 1274 A 35 GLN H A 34 THR HB 1.0 1.648 2.996 1394 1275 A 35 GLN H A 35 GLN HB3 1.0 1.627 2.921 1395 1276 A 25 ILE HA A 25 ILE H 1.0 1.859 4.017 1396 1277 A 35 GLN H A 35 GLN HGx 1.0 1.954 4.836 1397 1278 A 90 SER H A 89 GLN H 1.0 1.928 4.556 1398 1279 A 89 GLN H A 89 GLN HGy 1.0 1.736 3.356 1399 1280 A 89 GLN H A 89 GLN HBx 1.0 1.899 4.297 1400 1281 A 43 SER H A 40 SER H 1.0 1.965 4.981 1401 1282 A 43 SER H A 42 PHE H 1.0 1.705 3.221 1402 1283 A 43 SER H A 43 SER HBx 1.0 1.676 3.102 1403 1284 A 43 SER H A 43 SER HBy 1.0 1.711 3.245 1404 1285 A 43 SER H A 42 PHE HBy 1.0 1.926 4.538 1405 1286 A 43 SER H A 42 PHE HBx 1.0 1.885 4.193 1406 1287 A 43 SER H A 41 LEU HBy 1.0 1.974 5.110 1407 1288 A 43 SER H A 48 VAL HGy% 1.0 1.854 3.986 1408 1289 A 67 PHE H A 52 LYS H 1.0 1.740 3.372 1409 1290 A 68 VAL H A 52 LYS H 1.0 1.942 4.698 1410 1291 A 52 LYS H A 52 LYS HBx 1.0 1.782 3.576 1411 1292 A 43 SER H A 41 LEU H 1.0 1.943 4.699 1412 1293 A 57 LYS H A 59 ALA H 1.0 1.909 4.385 1413 1294 A 58 VAL H A 59 ALA H 1.0 1.632 2.934 1414 1295 A 59 ALA H A 60 GLY H 1.0 1.681 3.125 1415 1296 A 59 ALA H A 56 ASP HBy 1.0 1.905 4.353 1416 1297 A 59 ALA H A 59 ALA HB% 1.0 1.617 2.881 1417 1298 A 68 VAL H A 67 PHE HDx 1.0 1.950 4.778 1418 1298 A 68 VAL H A 67 PHE HDy 1.0 1.950 4.778 1419 1299 A 68 VAL H A 25 ILE HA 1.0 1.928 4.554 1420 1300 A 68 VAL H A 67 PHE HBy 1.0 1.947 4.755 1421 1301 A 68 VAL H A 24 LEU HBx 1.0 1.894 4.266 1422 1302 A 68 VAL H A 26 VAL HGx% 1.0 1.967 4.999 1423 1303 A 68 VAL H A 68 VAL HGy% 1.0 1.936 4.634 1424 1304 A 56 ASP H A 61 HIS H 1.0 1.932 4.588 1425 1305 A 56 ASP H A 56 ASP HA 1.0 1.792 3.624 1426 1306 A 56 ASP H A 62 SER HA 1.0 1.961 4.915 1427 1307 A 56 ASP H A 63 LEU HDy% 1.0 1.813 3.741 1428 1308 A 27 ASN H A 94 LYS H 1.0 1.831 3.841 1429 1309 A 94 LYS H A 28 TYR HDy 1.0 1.864 4.050 1430 1309 A 94 LYS H A 28 TYR HDx 1.0 1.864 4.050 1431 1310 A 94 LYS H A 93 ILE HA 1.0 1.613 2.867 1432 1311 A 94 LYS H A 94 LYS HBx 1.0 1.750 3.420 1433 1312 A 26 VAL HGy% A 94 LYS H 1.0 1.922 4.492 1434 1313 A 94 LYS H A 26 VAL HGx% 1.0 1.971 5.053 1435 1314 A 94 LYS H A 28 TYR HBy 1.0 1.970 5.046 1436 1315 A 93 ILE H A 94 LYS H 1.0 1.951 4.791 1437 1316 A 39 ARG H A 41 LEU H 1.0 1.930 4.576 1438 1317 A 42 PHE H A 41 LEU H 1.0 1.697 3.191 1439 1318 A 41 LEU HBy A 41 LEU H 1.0 1.636 2.952 1440 1319 A 41 LEU HBx A 41 LEU H 1.0 1.654 3.016 1441 1320 A 41 LEU H A 41 LEU HG 1.0 1.898 4.298 1442 1321 A 42 PHE HBx A 41 LEU H 1.0 1.961 4.919 1443 1322 A 51 ALA H A 52 LYS H 1.0 1.910 4.398 1444 1323 A 51 ALA H A 39 ARG HGy 1.0 1.962 4.924 1445 1324 A 88 LEU H A 91 LYS H 1.0 1.845 3.927 1446 1325 A 90 SER H A 91 LYS H 1.0 1.737 3.359 1447 1326 A 91 LYS H A 91 LYS HA 1.0 1.747 3.407 1448 1327 A 91 LYS H A 89 GLN HA 1.0 1.950 4.782 1449 1328 A 91 LYS H A 91 LYS HBy 1.0 1.764 3.486 1450 1329 A 91 LYS H A 91 LYS HBx 1.0 1.695 3.183 1451 1330 A 34 THR H A 37 GLU H 1.0 1.889 4.229 1452 1331 A 38 LEU H A 37 GLU H 1.0 1.719 3.283 1453 1332 A 36 ASP HA A 37 GLU H 1.0 1.886 4.202 1454 1333 A 37 GLU H A 36 ASP HBx 1.0 1.774 3.538 1455 1334 A 37 GLU H A 37 GLU HGx 1.0 1.619 2.889 1456 1335 A 37 GLU HBy A 37 GLU H 1.0 1.781 3.575 1457 1336 A 85 GLY H A 86 LEU H 1.0 1.680 3.118 1458 1337 A 85 GLY HAy A 86 LEU H 1.0 1.849 3.955 1459 1338 A 86 LEU H A 86 LEU HBy 1.0 1.552 2.662 1460 1339 A 86 LEU H A 83 LEU HBx 1.0 1.973 5.103 1461 1340 A 86 LEU H A 93 ILE HG1x 1.0 1.694 3.176 1462 1341 A 34 THR H A 33 MET H 1.0 1.936 4.630 1463 1342 A 33 MET H A 33 MET HGy 1.0 1.980 5.220 1464 1343 A 33 MET H A 30 PRO HBy 1.0 1.889 4.227 1465 1344 A 74 LYS H A 76 ALA H 1.0 1.945 4.729 1466 1345 A 76 ALA H A 77 GLU H 1.0 1.681 3.123 1467 1346 A 75 ASP H A 76 ALA H 1.0 1.681 3.123 1468 1347 A 76 ALA H A 75 ASP HBx 1.0 1.792 3.632 1469 1348 A 73 ALA HB% A 76 ALA H 1.0 1.961 4.911 1470 1349 A 70 TYR HEx A 45 ILE H 1.0 1.939 4.667 1471 1349 A 70 TYR HEy A 45 ILE H 1.0 1.939 4.667 1472 1350 A 43 SER HA A 45 ILE H 1.0 1.898 4.300 1473 1351 A 45 ILE H A 44 SER HA 1.0 1.897 4.287 1474 1352 A 45 ILE H A 45 ILE HB 1.0 1.685 3.143 1475 1353 A 45 ILE H A 45 ILE HG1x 1.0 1.727 3.321 1476 1354 A 45 ILE H A 45 ILE HD1% 1.0 1.843 3.915 1477 1355 A 74 LYS H A 75 ASP H 1.0 1.752 3.430 1478 1356 A 75 ASP H A 75 ASP HBx 1.0 1.698 3.192 1479 1357 A 75 ASP H A 74 LYS HBy 1.0 1.679 3.115 1480 1358 A 75 ASP H A 74 LYS HG3 1.0 1.920 4.486 1481 1359 A 75 ASP H A 78 ARG H 1.0 1.942 4.694 1482 1360 A 78 ARG H A 78 ARG HA 1.0 1.707 3.231 1483 1361 A 77 GLU HA A 78 ARG H 1.0 1.870 4.088 1484 1362 A 78 ARG H A 77 GLU HB3 1.0 1.667 3.067 1485 1363 A 78 ARG HDx A 78 ARG H 1.0 1.953 4.825 1486 1364 A 78 ARG H A 77 GLU HGx 1.0 1.936 4.634 1487 1365 A 23 ASN H A 22 THR H 1.0 1.601 2.827 1488 1366 A 23 ASN H A 21 ARG HA 1.0 1.840 3.898 1489 1367 A 23 ASN H A 23 ASN HBx 1.0 1.693 3.171 1490 1368 A 23 ASN H A 21 ARG HBy 1.0 1.938 4.656 1491 1369 A 23 ASN H A 22 THR HG2% 1.0 1.958 4.890 1492 1370 A 77 GLU HA A 77 GLU H 1.0 1.743 3.389 1493 1371 A 76 ALA HA A 77 GLU H 1.0 1.909 4.383 1494 1372 A 77 GLU H A 77 GLU HGx 1.0 1.900 4.312 1495 1373 A 79 ALA H A 77 GLU H 1.0 1.958 4.882 1496 1374 A 59 ALA H A 61 HIS H 1.0 1.953 4.823 1497 1375 A 58 VAL H A 61 HIS H 1.0 1.956 4.858 1498 1376 A 61 HIS HA A 61 HIS H 1.0 1.692 3.166 1499 1377 A 60 GLY HAy A 61 HIS H 1.0 1.877 4.135 1500 1378 A 60 GLY HAx A 61 HIS H 1.0 1.860 4.028 1501 1379 A 59 ALA HB% A 61 HIS H 1.0 1.867 4.073 1502 1380 A 56 ASP HBy A 61 HIS H 1.0 1.871 4.097 1503 1381 A 71 VAL H A 49 GLU H 1.0 1.935 4.621 1504 1382 A 71 VAL H A 70 TYR HBx 1.0 1.915 4.437 1505 1383 A 72 THR HG2% A 71 VAL H 1.0 1.978 5.196 1506 1384 A 80 ILE H A 77 GLU HA 1.0 1.837 3.879 1507 1385 A 80 ILE H A 80 ILE HG1y 1.0 1.686 3.146 1508 1386 A 80 ILE H A 24 LEU HDy% 1.0 1.902 4.326 1509 1387 A 80 ILE H A 80 ILE HG2% 1.0 1.878 4.144 1510 1388 A 80 ILE H A 80 ILE HG1x 1.0 1.821 3.787 1511 1389 A 80 ILE H A 81 ASN H 1.0 1.760 3.472 1512 1390 A 19 ILE H A 20 GLY H 1.0 1.757 3.457 1513 1391 A 19 ILE H A 18 ASP H 1.0 1.785 3.593 1514 1392 A 19 ILE H A 19 ILE HB 1.0 1.707 3.231 1515 1393 A 19 ILE H A 19 ILE HG1y 1.0 1.721 3.289 1516 1394 A 19 ILE H A 19 ILE HG2% 1.0 1.771 3.521 1517 1395 A 7 TYR H A 6 GLY H 1.0 1.876 4.132 1518 1396 A 7 TYR H A 7 TYR HDy 1.0 1.938 4.648 1519 1396 A 7 TYR H A 7 TYR HDx 1.0 1.938 4.648 1520 1397 A 19 ILE H A 21 ARG H 1.0 1.873 4.115 1521 1398 A 21 ARG HA A 21 ARG H 1.0 1.779 3.559 1522 1399 A 21 ARG HDy A 21 ARG H 1.0 1.924 4.514 1523 1400 A 73 ALA HB% A 21 ARG H 1.0 1.856 3.998 1524 1401 A 22 THR HG2% A 21 ARG H 1.0 1.942 4.688 1525 1402 A 58 VAL H A 57 LYS H 1.0 1.741 3.379 1526 1403 A 58 VAL H A 60 GLY H 1.0 1.905 4.351 1527 1404 A 58 VAL H A 56 ASP HA 1.0 1.916 4.442 1528 1405 A 58 VAL H A 57 LYS HA 1.0 1.765 3.493 1529 1406 A 58 VAL H A 56 ASP HBx 1.0 1.959 4.895 1530 1407 A 58 VAL H A 58 VAL HGy% 1.0 1.633 2.939 1531 1408 A 21 ARG HBy A 21 ARG H 1.0 1.840 3.896 1532 1409 A 15 CYS H A 15 CYS HB3 1.0 1.741 3.377 1533 1410 A 12 ALA HB% A 13 GLU H 1.0 1.840 3.898 1534 1411 A 13 GLU H A 10 HIS HA 1.0 1.830 3.834 1535 1412 A 98 ALA H A 97 TYR H 1.0 1.949 4.769 1536 1413 A 97 TYR H A 97 TYR HBx 1.0 1.799 3.665 1537 1414 A 97 TYR H A 97 TYR HBy 1.0 1.695 3.183 1538 1415 A 97 TYR H A 97 TYR HA 1.0 1.744 3.394 1539 1416 A 18 ASP H A 18 ASP HA 1.0 1.745 3.399 1540 1417 A 19 ILE HA A 18 ASP H 1.0 1.949 4.775 1541 1418 A 10 HIS HA A 11 MET H 1.0 1.688 3.154 1542 1419 A 11 MET HA A 11 MET H 1.0 1.815 3.755 1543 1420 A 14 ASP H A 13 GLU HA 1.0 1.654 3.020 1544 1421 A 11 MET HGy A 11 MET H 1.0 1.890 4.232 1545 1422 A 12 ALA HB% A 11 MET H 1.0 1.968 5.032 1546 1423 A 93 ILE H A 86 LEU H 1.0 1.944 4.718 1547 1424 A 5 ASN H A 4 SER HA 1.0 1.861 4.027 1548 1425 A 5 ASN H A 5 ASN HB3 1.0 1.977 5.161 1549 1426 A 93 ILE H A 93 ILE HG1y 1.0 1.697 3.191 1550 1427 A 93 ILE H A 93 ILE HG1x 1.0 1.750 3.426 1551 1428 A 93 ILE H A 92 THR H 1.0 1.936 4.628 1552 1429 A 93 ILE H A 92 THR HA 1.0 1.545 2.637 1553 1430 A 83 LEU H A 82 THR H 1.0 1.727 3.319 1554 1431 A 83 LEU H A 83 LEU HBy 1.0 1.752 3.430 1555 1432 A 83 LEU H A 83 LEU HDx% 1.0 1.915 4.433 1556 1433 A 83 LEU H A 80 ILE HA 1.0 1.977 5.165 1557 1434 A 96 SER H A 25 ILE H 1.0 1.828 3.824 1558 1435 A 96 SER H A 97 TYR H 1.0 1.892 4.256 1559 1436 A 96 SER H A 95 VAL HA 1.0 1.585 2.769 1560 1437 A 34 THR H A 33 MET HGy 1.0 1.854 3.982 1561 1438 A 67 PHE HDx A 67 PHE H 1.0 1.858 4.012 1562 1438 A 67 PHE HDy A 67 PHE H 1.0 1.858 4.012 1563 1439 A 67 PHE H A 66 GLY HAy 1.0 1.690 3.162 1564 1440 A 67 PHE H A 66 GLY HAx 1.0 1.702 3.212 1565 1441 A 67 PHE H A 67 PHE HBx 1.0 1.836 3.870 1566 1442 A 67 PHE H A 67 PHE HBy 1.0 1.782 3.574 1567 1443 A 67 PHE H A 54 ILE HG12 1.0 1.939 4.663 1568 1444 A 67 PHE H A 54 ILE HD1% 1.0 1.918 4.460 1569 1445 A 61 HIS HA A 62 SER H 1.0 1.567 2.713 1570 1446 A 62 SER H A 62 SER HA 1.0 1.862 4.038 1571 1447 A 53 LEU HDx% A 62 SER H 1.0 1.964 4.954 1572 1448 A 40 SER H A 39 ARG H 1.0 1.735 3.353 1573 1449 A 40 SER H A 41 LEU H 1.0 1.754 3.440 1574 1450 A 85 GLY HAy A 85 GLY H 1.0 1.691 3.167 1575 1451 A 40 SER H A 39 ARG HD3 1.0 1.959 4.887 1576 1452 A 40 SER H A 39 ARG HBx 1.0 1.709 3.239 1577 1453 A 40 SER H A 39 ARG HBy 1.0 1.820 3.782 1578 1454 A 85 GLY H A 93 ILE HG1y 1.0 1.868 4.076 1579 1455 A 85 GLY H A 93 ILE HG1x 1.0 1.886 4.200 1580 1456 A 101 SER H A 100 PRO HBy 1.0 1.888 4.222 1581 1457 A 101 SER H A 100 PRO HBx 1.0 1.835 3.871 1582 1458 A 67 PHE H A 54 ILE H 1.0 1.975 5.123 1583 1459 A 35 GLN H A 36 ASP H 1.0 1.783 3.579 1584 1460 A 37 GLU H A 36 ASP H 1.0 1.740 3.374 1585 1461 A 36 ASP HA A 36 ASP H 1.0 1.710 3.246 1586 1462 A 35 GLN HA A 36 ASP H 1.0 1.929 4.561 1587 1463 A 39 ARG H A 35 GLN HA 1.0 1.937 4.647 1588 1464 A 34 THR HG2% A 36 ASP H 1.0 1.958 4.890 1589 1465 A 36 ASP H A 35 GLN HB3 1.0 1.716 3.266 1590 1466 A 39 ARG H A 38 LEU HA 1.0 1.877 4.139 1591 1467 A 39 ARG H A 36 ASP HA 1.0 1.840 3.894 1592 1468 A 39 ARG H A 39 ARG HBy 1.0 1.689 3.157 1593 1469 A 39 ARG H A 39 ARG HGx 1.0 1.933 4.605 1594 1470 A 39 ARG H A 38 LEU H 1.0 1.747 3.409 1595 1471 A 39 ARG H A 37 GLU H 1.0 1.976 5.148 1596 1472 A 74 LYS H A 74 LYS HBy 1.0 1.660 3.044 1597 1473 A 10 HIS H A 10 HIS HBy 1.0 1.923 4.511 1598 1474 A 74 LYS H A 74 LYS HBx 1.0 1.689 3.155 1599 1475 A 70 TYR HEx A 47 GLU H 1.0 1.962 4.928 1600 1475 A 70 TYR HEy A 47 GLU H 1.0 1.962 4.928 1601 1476 A 47 GLU H A 46 GLY HA2 1.0 1.550 2.656 1602 1477 A 47 GLU H A 47 GLU HB2 1.0 1.548 2.650 1603 1478 A 47 GLU H A 75 ASP HBy 1.0 1.959 4.899 1604 1479 A 92 THR HB A 92 THR H 1.0 1.709 3.241 1605 1480 A 92 THR HG2% A 92 THR H 1.0 1.857 4.003 1606 1481 A 92 THR H A 91 LYS HDx 1.0 1.898 4.298 1607 1482 A 92 THR H A 91 LYS HBy 1.0 1.765 3.493 1608 1483 A 40 SER H A 42 PHE H 1.0 1.958 4.884 1609 1484 A 42 PHE H A 45 ILE H 1.0 1.966 4.994 1610 1485 A 42 PHE H A 41 LEU HA 1.0 1.889 4.229 1611 1486 A 42 PHE H A 42 PHE HA 1.0 1.805 3.695 1612 1487 A 42 PHE H A 42 PHE HBy 1.0 1.807 3.709 1613 1488 A 42 PHE H A 42 PHE HBx 1.0 1.719 3.281 1614 1489 A 42 PHE H A 41 LEU HBy 1.0 1.812 3.738 1615 1490 A 42 PHE H A 41 LEU HBx 1.0 1.888 4.220 1616 1491 A 42 PHE H A 41 LEU HDx% 1.0 1.919 4.477 1617 1492 A 28 TYR H A 29 LEU H 1.0 1.741 3.379 1618 1493 A 28 TYR H A 28 TYR HDy 1.0 1.826 3.814 1619 1493 A 28 TYR H A 28 TYR HDx 1.0 1.826 3.814 1620 1494 A 65 TYR HA A 28 TYR H 1.0 1.943 4.707 1621 1495 A 28 TYR H A 28 TYR HA 1.0 1.584 2.770 1622 1496 A 28 TYR H A 28 TYR HBx 1.0 1.971 5.065 1623 1497 A 27 ASN HBy A 28 TYR H 1.0 1.759 3.463 1624 1498 A 28 TYR H A 27 ASN HBx 1.0 1.918 4.462 1625 1499 A 65 TYR HA A 29 LEU H 1.0 1.930 4.576 1626 1500 A 29 LEU H A 28 TYR HA 1.0 1.710 3.244 1627 1501 A 29 LEU H A 64 GLY HAy 1.0 1.953 4.825 1628 1502 A 29 LEU H A 64 GLY HAx 1.0 1.886 4.202 1629 1503 A 29 LEU H A 29 LEU HBy 1.0 1.716 3.270 1630 1504 A 29 LEU HDx% A 29 LEU H 1.0 1.855 3.993 1631 1505 A 29 LEU H A 28 TYR HDy 1.0 1.973 5.099 1632 1505 A 29 LEU H A 28 TYR HDx 1.0 1.973 5.099 1633 1506 A 83 LEU H A 81 ASN H 1.0 1.924 4.514 1634 1507 A 82 THR H A 81 ASN H 1.0 1.729 3.327 1635 1508 A 81 ASN H A 81 ASN HD21 1.0 1.873 4.115 1636 1509 A 81 ASN H A 81 ASN HA 1.0 1.703 3.213 1637 1510 A 81 ASN H A 78 ARG HA 1.0 1.833 3.851 1638 1511 A 81 ASN H A 80 ILE HB 1.0 1.646 2.990 1639 1512 A 81 ASN H A 80 ILE HG1y 1.0 1.942 4.698 1640 1513 A 81 ASN H A 80 ILE HG2% 1.0 1.818 3.772 1641 1514 A 81 ASN H A 80 ILE HD1% 1.0 1.937 4.645 1642 1515 A 43 SER H A 44 SER H 1.0 1.713 3.259 1643 1516 A 44 SER H A 42 PHE H 1.0 1.926 4.542 1644 1517 A 44 SER H A 45 ILE H 1.0 1.718 3.278 1645 1518 A 44 SER H A 48 VAL HGy% 1.0 1.939 4.663 1646 1519 A 44 SER H A 45 ILE HG1x 1.0 1.944 4.724 1647 1520 A 65 TYR H A 64 GLY HAy 1.0 1.863 4.037 1648 1521 A 65 TYR H A 64 GLY HAx 1.0 1.847 3.943 1649 1522 A 65 TYR H A 65 TYR HBy 1.0 1.924 4.518 1650 1523 A 65 TYR H A 63 LEU HBy 1.0 1.977 5.155 1651 1524 A 65 TYR H A 29 LEU HBx 1.0 1.966 5.004 1652 1525 A 65 TYR H A 29 LEU HBy 1.0 1.952 4.808 1653 1526 A 65 TYR H A 53 LEU HDx% 1.0 1.928 4.560 1654 1527 A 28 TYR H A 27 ASN HD21 1.0 1.957 4.861 1655 1528 A 28 TYR H A 27 ASN HD22 1.0 1.969 5.035 1656 1529 A 27 ASN HA A 27 ASN HD22 1.0 1.949 4.775 1657 1530 A 27 ASN HD21 A 65 TYR HBx 1.0 1.894 4.262 1658 1531 A 27 ASN HD22 A 65 TYR HBx 1.0 1.958 4.876 1659 1532 A 27 ASN HD22 A 65 TYR HBy 1.0 1.967 5.005 1660 1533 A 27 ASN HBy A 27 ASN HD22 1.0 1.899 4.305 1661 1534 A 27 ASN HBy A 27 ASN HD21 1.0 1.799 3.665 1662 1535 A 27 ASN HD22 A 27 ASN HBx 1.0 1.917 4.447 1663 1536 A 27 ASN HD21 A 27 ASN HBx 1.0 1.866 4.060 1664 1537 A 27 ASN HD21 A 28 TYR HEy 1.0 1.977 5.163 1665 1537 A 27 ASN HD21 A 28 TYR HEx 1.0 1.977 5.163 1666 1538 A 67 PHE HDx A 23 ASN HD22 1.0 1.940 4.674 1667 1538 A 67 PHE HDy A 23 ASN HD22 1.0 1.940 4.674 1668 1539 A 98 ALA HB% A 23 ASN HD21 1.0 1.852 3.968 1669 1540 A 65 TYR H A 31 GLN HE22 1.0 1.930 4.568 1670 1541 A 64 GLY HAy A 31 GLN HE21 1.0 1.971 5.075 1671 1542 A 31 GLN HG2 A 31 GLN HE22 1.0 1.914 4.426 1672 1543 A 31 GLN HE21 A 31 GLN HB3 1.0 1.972 5.074 1673 1544 A 32 ASN HBy A 32 ASN HD21 1.0 1.798 3.660 1674 1545 A 32 ASN HBy A 32 ASN HD22 1.0 1.871 4.097 1675 1546 A 7 TYR HDy A 5 ASN HD22 1.0 1.866 4.062 1676 1546 A 7 TYR HDx A 5 ASN HD22 1.0 1.866 4.062 1677 1547 A 34 THR HB A 35 GLN HE21 1.0 1.880 4.158 1678 1548 A 34 THR HB A 35 GLN HE22 1.0 1.884 4.186 1679 1549 A 35 GLN HGx A 35 GLN HE22 1.0 1.834 3.862 1680 1550 A 35 GLN HB3 A 35 GLN HE22 1.0 1.929 4.565 1681 1551 A 35 GLN HGy A 35 GLN HE22 1.0 1.940 4.672 1682 1552 A 53 LEU HBy A 35 GLN HE22 1.0 1.973 5.095 1683 1553 A 49 GLU HBx A 69 ASN HD21 1.0 1.948 4.764 1684 1554 A 35 GLN HGx A 35 GLN HE21 1.0 1.737 3.361 1685 1555 A 35 GLN HGy A 35 GLN HE21 1.0 1.809 3.717 1686 1556 A 69 ASN HBx A 69 ASN HD22 1.0 1.854 3.984 1687 1557 A 49 GLU HBy A 69 ASN HD22 1.0 1.933 4.601 1688 1558 A 89 GLN HE21 A 89 GLN HGy 1.0 1.722 3.292 1689 1559 A 30 PRO HBy A 89 GLN HE22 1.0 1.812 3.732 1690 1560 A 89 GLN HE22 A 33 MET HB2 1.0 1.916 4.446 1691 1561 A 30 PRO HBx A 89 GLN HE21 1.0 1.887 4.213 1692 1562 A 78 ARG HA A 81 ASN HD22 1.0 1.923 4.509 1693 1563 A 77 GLU HA A 81 ASN HD22 1.0 1.970 5.048 1694 1564 A 81 ASN HB2 A 81 ASN HD21 1.0 1.674 3.096 1695 1565 A 81 ASN HD21 A 77 GLU HGy 1.0 1.885 4.197 1696 1566 A 84 ASN HBy A 84 ASN HD21 1.0 1.776 3.544 1697 1567 A 80 ILE HB A 84 ASN HD21 1.0 1.960 4.904 1698 1568 A 94 LYS HGx A 84 ASN HD21 1.0 1.968 5.026 1699 1569 A 94 LYS HGy A 84 ASN HD21 1.0 1.962 4.926 1700 1570 A 84 ASN H A 84 ASN HBy 1.0 1.602 2.830 1701 1571 A 32 ASN HBx A 32 ASN HD21 1.0 1.828 3.826 1702 1572 A 31 GLN H A 32 ASN H 1.0 1.865 4.055 1703 1573 A 33 MET H A 32 ASN H 1.0 1.713 3.259 1704 1574 A 30 PRO HA A 32 ASN H 1.0 1.960 4.904 1705 1575 A 32 ASN H A 32 ASN HBy 1.0 1.800 3.668 1706 1576 A 32 ASN H A 32 ASN HBx 1.0 1.773 3.531 1707 1577 A 32 ASN H A 30 PRO HBy 1.0 1.848 3.948 1708 1578 A 90 SER H A 90 SER HBx 1.0 1.874 4.120 1709 1579 A 32 ASN H A 31 GLN HB2 1.0 1.758 3.458 1710 1580 A 20 GLY H A 21 ARG H 1.0 1.769 3.515 1711 1581 A 19 ILE HG1x A 20 GLY H 1.0 1.903 4.339 1712 1582 A 20 GLY H A 18 ASP H 1.0 1.922 4.492 1713 1583 A 72 THR H A 70 TYR HDx 1.0 1.926 4.530 1714 1583 A 72 THR H A 70 TYR HDy 1.0 1.926 4.530 1715 1584 A 72 THR H A 71 VAL H 1.0 1.752 3.430 1716 1585 A 72 THR H A 72 THR HA 1.0 1.741 3.379 1717 1586 A 72 THR H A 70 TYR HA 1.0 1.936 4.628 1718 1587 A 72 THR H A 70 TYR HBy 1.0 1.764 3.486 1719 1588 A 72 THR H A 70 TYR HBx 1.0 1.864 4.048 1720 1589 A 72 THR H A 72 THR HG2% 1.0 1.774 3.540 1721 1590 A 72 THR H A 71 VAL HGx% 1.0 1.858 4.008 1722 1591 A 65 TYR H A 64 GLY H 1.0 1.786 3.596 1723 1592 A 63 LEU HA A 64 GLY H 1.0 1.811 3.731 1724 1593 A 62 SER HA A 64 GLY H 1.0 1.906 4.362 1725 1594 A 64 GLY HAy A 64 GLY H 1.0 1.729 3.327 1726 1595 A 64 GLY HAx A 64 GLY H 1.0 1.721 3.291 1727 1596 A 63 LEU HBy A 64 GLY H 1.0 1.944 4.718 1728 1597 A 54 ILE HB A 64 GLY H 1.0 1.952 4.800 1729 1598 A 53 LEU HDx% A 64 GLY H 1.0 1.958 4.890 1730 1599 A 6 GLY H A 5 ASN H 1.0 1.903 4.335 1731 1600 A 16 ARG HA A 17 GLY H 1.0 1.727 3.317 1732 1601 A 17 GLY H A 16 ARG HBx 1.0 1.925 4.523 1733 1602 A 22 THR H A 21 ARG HA 1.0 1.646 2.986 1734 1603 A 22 THR H A 23 ASN HBy 1.0 1.955 4.847 1735 1604 A 22 THR H A 21 ARG HBy 1.0 1.940 4.678 1736 1605 A 17 GLY H A 16 ARG HBy 1.0 1.937 4.643 1737 1606 A 49 GLU H A 50 SER H 1.0 1.654 3.020 1738 1607 A 69 ASN H A 50 SER H 1.0 1.808 3.714 1739 1608 A 51 ALA H A 50 SER H 1.0 1.940 4.678 1740 1609 A 50 SER H A 69 ASN HD21 1.0 1.898 4.290 1741 1610 A 50 SER H A 49 GLU HA 1.0 1.888 4.220 1742 1611 A 69 ASN HBx A 50 SER H 1.0 1.844 3.920 1743 1612 A 69 ASN HBy A 50 SER H 1.0 1.886 4.204 1744 1613 A 50 SER H A 49 GLU HBy 1.0 1.739 3.371 1745 1614 A 49 GLU HBx A 50 SER H 1.0 1.830 3.836 1746 1615 A 50 SER H A 49 GLU HGx 1.0 1.955 4.843 1747 1616 A 66 GLY H A 27 ASN HA 1.0 1.929 4.559 1748 1617 A 66 GLY H A 66 GLY HAy 1.0 1.849 3.955 1749 1618 A 66 GLY H A 66 GLY HAx 1.0 1.850 3.956 1750 1619 A 66 GLY H A 65 TYR HBx 1.0 1.768 3.510 1751 1620 A 26 VAL HB A 66 GLY H 1.0 1.865 4.057 1752 1621 A 66 GLY H A 25 ILE HG1y 1.0 1.946 4.738 1753 1622 A 60 GLY H A 60 GLY HAy 1.0 1.720 3.290 1754 1623 A 60 GLY H A 60 GLY HAx 1.0 1.678 3.110 1755 1624 A 46 GLY H A 47 GLU H 1.0 1.905 4.349 1756 1625 A 46 GLY H A 44 SER H 1.0 1.885 4.197 1757 1626 A 46 GLY H A 70 TYR HEx 1.0 1.712 3.252 1758 1626 A 46 GLY H A 70 TYR HEy 1.0 1.712 3.252 1759 1627 A 46 GLY H A 47 GLU HA 1.0 1.964 4.964 1760 1628 A 46 GLY H A 45 ILE HB 1.0 1.743 3.389 1761 1629 A 46 GLY H A 45 ILE HG1x 1.0 1.944 4.712 1762 1630 A 46 GLY H A 45 ILE HG1y 1.0 1.970 5.050 1763 1631 A 46 GLY H A 48 VAL HGy% 1.0 1.918 4.462 1764 1632 A 46 GLY H A 44 SER HA 1.0 1.893 4.255 1765 1633 A 46 GLY H A 45 ILE HG2% 1.0 1.896 4.278 1766 1634 A 83 LEU H A 84 ASN H 1.0 1.647 2.993 1767 1635 A 82 THR H A 84 ASN H 1.0 1.949 4.779 1768 1636 A 84 ASN H A 83 LEU HBy 1.0 1.766 3.498 1769 1637 A 83 LEU HG A 84 ASN H 1.0 1.964 4.954 1770 1638 A 84 ASN H A 81 ASN H 1.0 1.947 4.757 1771 1639 A 84 ASN H A 83 LEU HBx 1.0 1.907 4.375 1772 1640 A 32 ASN HD22 A 89 GLN HE22 1.0 1.779 3.557 1773 1641 A 73 ALA H A 74 LYS H 1.0 1.756 3.446 1774 1642 A 95 VAL H A 84 ASN HA 1.0 1.657 3.029 1775 1643 A 95 VAL H A 84 ASN HBx 1.0 1.867 4.071 1776 1644 A 95 VAL H A 85 GLY H 1.0 1.864 4.048 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 22 THR C A 23 ASN N A 23 ASN CA A 23 ASN C 1.0 -130.0 -41.02 PHI 2 2 A 23 ASN N A 23 ASN CA A 23 ASN C A 24 LEU N 1.0 90.0 170.30 PSI 3 3 A 23 ASN C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -150.0 -89.34 PHI 4 4 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 ILE N 1.0 100.0 153.40 PSI 5 5 A 24 LEU C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -160.0 -80.24 PHI 6 6 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 VAL N 1.0 100.0 162.00 PSI 7 7 A 25 ILE C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -140.0 -90.00 PHI 8 8 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 ASN N 1.0 100.0 150.00 PSI 9 9 A 26 VAL C A 27 ASN N A 27 ASN CA A 27 ASN C 1.0 -170.0 -84.36 PHI 10 10 A 27 ASN N A 27 ASN CA A 27 ASN C A 28 TYR N 1.0 100.0 188.76 PSI 11 11 A 28 TYR C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -90.0 -59.70 PHI 12 12 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 PRO N 1.0 130.0 179.12 PSI 13 13 A 29 LEU C A 30 PRO N A 30 PRO CA A 30 PRO C 1.0 -100.0 -32.08 PHI 14 14 A 30 PRO N A 30 PRO CA A 30 PRO C A 31 GLN N 1.0 120.0 186.36 PSI 15 15 A 30 PRO C A 31 GLN N A 31 GLN CA A 31 GLN C 1.0 -90.0 -38.86 PHI 16 16 A 31 GLN N A 31 GLN CA A 31 GLN C A 32 ASN N 1.0 -50.0 17.74 PSI 17 17 A 31 GLN C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -120.0 -50.22 PHI 18 18 A 32 ASN N A 32 ASN CA A 32 ASN C A 33 MET N 1.0 -30.0 19.92 PSI 19 19 A 34 THR C A 35 GLN N A 35 GLN CA A 35 GLN C 1.0 -80.0 -45.24 PHI 20 20 A 35 GLN N A 35 GLN CA A 35 GLN C A 36 ASP N 1.0 -60.0 -13.64 PSI 21 21 A 35 GLN C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -90.0 -39.86 PHI 22 22 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 GLU N 1.0 -60.0 -29.90 PSI 23 23 A 36 ASP C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -90.0 -40.18 PHI 24 24 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 LEU N 1.0 -60.0 -27.34 PSI 25 25 A 37 GLU C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -90.0 -39.74 PHI 26 26 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 ARG N 1.0 -60.0 -29.82 PSI 27 27 A 38 LEU C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -80.0 -49.86 PHI 28 28 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 SER N 1.0 -70.0 -14.56 PSI 29 29 A 39 ARG C A 40 SER N A 40 SER CA A 40 SER C 1.0 -90.0 -39.92 PHI 30 30 A 40 SER N A 40 SER CA A 40 SER C A 41 LEU N 1.0 -60.0 -28.02 PSI 31 31 A 40 SER C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -90.0 -38.22 PHI 32 32 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 PHE N 1.0 -70.0 -19.74 PSI 33 33 A 41 LEU C A 42 PHE N A 42 PHE CA A 42 PHE C 1.0 -80.0 -49.42 PHI 34 34 A 42 PHE N A 42 PHE CA A 42 PHE C A 43 SER N 1.0 -60.0 -13.02 PSI 35 35 A 42 PHE C A 43 SER N A 43 SER CA A 43 SER C 1.0 -90.0 -39.32 PHI 36 36 A 43 SER N A 43 SER CA A 43 SER C A 44 SER N 1.0 -60.0 -10.70 PSI 37 37 A 43 SER C A 44 SER N A 44 SER CA A 44 SER C 1.0 -90.0 -40.00 PHI 38 38 A 44 SER N A 44 SER CA A 44 SER C A 45 ILE N 1.0 -50.0 0.66 PSI 39 39 A 47 GLU C A 48 VAL N A 48 VAL CA A 48 VAL C 1.0 -160.0 -78.74 PHI 40 40 A 48 VAL N A 48 VAL CA A 48 VAL C A 49 GLU N 1.0 90.0 164.12 PSI 41 41 A 48 VAL C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -120.0 -50.04 PHI 42 42 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 SER N 1.0 -60.0 -29.70 PSI 43 43 A 49 GLU C A 50 SER N A 50 SER CA A 50 SER C 1.0 170.0 -137.44 PHI 44 44 A 50 SER N A 50 SER CA A 50 SER C A 51 ALA N 1.0 130.0 197.38 PSI 45 45 A 50 SER C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -170.0 -71.10 PHI 46 46 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 LYS N 1.0 100.0 160.48 PSI 47 47 A 51 ALA C A 52 LYS N A 52 LYS CA A 52 LYS C 1.0 -150.0 -98.74 PHI 48 48 A 52 LYS N A 52 LYS CA A 52 LYS C A 53 LEU N 1.0 110.0 157.90 PSI 49 49 A 52 LYS C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -150.0 -79.86 PHI 50 50 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 ILE N 1.0 100.0 149.56 PSI 51 51 A 53 LEU C A 54 ILE N A 54 ILE CA A 54 ILE C 1.0 -150.0 -87.62 PHI 52 52 A 54 ILE N A 54 ILE CA A 54 ILE C A 55 ARG N 1.0 100.0 159.86 PSI 53 53 A 54 ILE C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -170.0 -79.30 PHI 54 54 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 ASP N 1.0 100.0 168.12 PSI 55 55 A 55 ARG C A 56 ASP N A 56 ASP CA A 56 ASP C 1.0 -110.0 -40.56 PHI 56 56 A 56 ASP N A 56 ASP CA A 56 ASP C A 57 LYS N 1.0 100.0 177.90 PSI 57 57 A 64 GLY C A 65 TYR N A 65 TYR CA A 65 TYR C 1.0 -170.0 -138.76 PHI 58 58 A 65 TYR N A 65 TYR CA A 65 TYR C A 66 GLY N 1.0 120.0 208.72 PSI 59 59 A 65 TYR C A 66 GLY N A 66 GLY CA A 66 GLY C 1.0 170.0 -127.48 PHI 60 60 A 66 GLY N A 66 GLY CA A 66 GLY C A 67 PHE N 1.0 120.0 206.58 PSI 61 61 A 66 GLY C A 67 PHE N A 67 PHE CA A 67 PHE C 1.0 -170.0 -101.28 PHI 62 62 A 67 PHE N A 67 PHE CA A 67 PHE C A 68 VAL N 1.0 110.0 199.54 PSI 63 63 A 67 PHE C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -170.0 -73.12 PHI 64 64 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 ASN N 1.0 100.0 165.90 PSI 65 65 A 68 VAL C A 69 ASN N A 69 ASN CA A 69 ASN C 1.0 -150.0 -32.92 PHI 66 66 A 69 ASN N A 69 ASN CA A 69 ASN C A 70 TYR N 1.0 90.0 152.20 PSI 67 67 A 72 THR C A 73 ALA N A 73 ALA CA A 73 ALA C 1.0 -90.0 -33.40 PHI 68 68 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 LYS N 1.0 -70.0 -0.06 PSI 69 69 A 73 ALA C A 74 LYS N A 74 LYS CA A 74 LYS C 1.0 -90.0 -38.06 PHI 70 70 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 ASP N 1.0 -70.0 -11.18 PSI 71 71 A 74 LYS C A 75 ASP N A 75 ASP CA A 75 ASP C 1.0 -90.0 -38.92 PHI 72 72 A 75 ASP N A 75 ASP CA A 75 ASP C A 76 ALA N 1.0 -70.0 -17.38 PSI 73 73 A 75 ASP C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -90.0 -39.80 PHI 74 74 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 GLU N 1.0 -60.0 -14.22 PSI 75 75 A 76 ALA C A 77 GLU N A 77 GLU CA A 77 GLU C 1.0 -80.0 -48.68 PHI 76 76 A 77 GLU N A 77 GLU CA A 77 GLU C A 78 ARG N 1.0 -70.0 -19.90 PSI 77 77 A 77 GLU C A 78 ARG N A 78 ARG CA A 78 ARG C 1.0 -80.0 -46.52 PHI 78 78 A 78 ARG N A 78 ARG CA A 78 ARG C A 79 ALA N 1.0 -60.0 -16.00 PSI 79 79 A 78 ARG C A 79 ALA N A 79 ALA CA A 79 ALA C 1.0 -90.0 -40.32 PHI 80 80 A 79 ALA N A 79 ALA CA A 79 ALA C A 80 ILE N 1.0 -70.0 -18.58 PSI 81 81 A 79 ALA C A 80 ILE N A 80 ILE CA A 80 ILE C 1.0 -90.0 -39.34 PHI 82 82 A 80 ILE N A 80 ILE CA A 80 ILE C A 81 ASN N 1.0 -70.0 -16.52 PSI 83 83 A 80 ILE C A 81 ASN N A 81 ASN CA A 81 ASN C 1.0 -90.0 -36.76 PHI 84 84 A 81 ASN N A 81 ASN CA A 81 ASN C A 82 THR N 1.0 -60.0 6.78 PSI 85 85 A 81 ASN C A 82 THR N A 82 THR CA A 82 THR C 1.0 -90.0 -46.54 PHI 86 86 A 82 THR N A 82 THR CA A 82 THR C A 83 LEU N 1.0 -70.0 -4.98 PSI 87 87 A 82 THR C A 83 LEU N A 83 LEU CA A 83 LEU C 1.0 -130.0 -45.90 PHI 88 88 A 83 LEU N A 83 LEU CA A 83 LEU C A 84 ASN N 1.0 -50.0 36.84 PSI 89 89 A 83 LEU C A 84 ASN N A 84 ASN CA A 84 ASN C 1.0 -80.0 -30.20 PHI 90 90 A 84 ASN N A 84 ASN CA A 84 ASN C A 85 GLY N 1.0 110.0 160.00 PSI 91 91 A 84 ASN C A 85 GLY N A 85 GLY CA A 85 GLY C 1.0 60.0 116.10 PHI 92 92 A 85 GLY N A 85 GLY CA A 85 GLY C A 86 LEU N 1.0 -40.0 27.04 PSI 93 93 A 85 GLY C A 86 LEU N A 86 LEU CA A 86 LEU C 1.0 -100.0 -44.06 PHI 94 94 A 86 LEU N A 86 LEU CA A 86 LEU C A 87 ARG N 1.0 110.0 185.80 PSI 95 95 A 86 LEU C A 87 ARG N A 87 ARG CA A 87 ARG C 1.0 -150.0 -65.70 PHI 96 96 A 87 ARG N A 87 ARG CA A 87 ARG C A 88 LEU N 1.0 90.0 147.60 PSI 97 97 A 87 ARG C A 88 LEU N A 88 LEU CA A 88 LEU C 1.0 -170.0 -42.26 PHI 98 98 A 88 LEU N A 88 LEU CA A 88 LEU C A 89 GLN N 1.0 90.0 170.80 PSI 99 99 A 88 LEU C A 89 GLN N A 89 GLN CA A 89 GLN C 1.0 40.0 70.00 PHI 100 100 A 89 GLN N A 89 GLN CA A 89 GLN C A 90 SER N 1.0 20.0 69.78 PSI 101 101 A 90 SER C A 91 LYS N A 91 LYS CA A 91 LYS C 1.0 -180.0 -92.78 PHI 102 102 A 91 LYS N A 91 LYS CA A 91 LYS C A 92 THR N 1.0 120.0 188.60 PSI 103 103 A 91 LYS C A 92 THR N A 92 THR CA A 92 THR C 1.0 -140.0 -9.44 PHI 104 104 A 92 THR N A 92 THR CA A 92 THR C A 93 ILE N 1.0 90.0 177.50 PSI 105 105 A 92 THR C A 93 ILE N A 93 ILE CA A 93 ILE C 1.0 -160.0 -88.04 PHI 106 106 A 93 ILE N A 93 ILE CA A 93 ILE C A 94 LYS N 1.0 100.0 163.16 PSI 107 107 A 93 ILE C A 94 LYS N A 94 LYS CA A 94 LYS C 1.0 -150.0 -81.88 PHI 108 108 A 94 LYS N A 94 LYS CA A 94 LYS C A 95 VAL N 1.0 100.0 166.48 PSI 109 109 A 94 LYS C A 95 VAL N A 95 VAL CA A 95 VAL C 1.0 -150.0 -80.88 PHI 110 110 A 95 VAL N A 95 VAL CA A 95 VAL C A 96 SER N 1.0 100.0 151.60 PSI 111 111 A 98 ALA C A 99 ARG N A 99 ARG CA A 99 ARG C 1.0 -90.0 -40.04 PHI 112 112 A 99 ARG N A 99 ARG CA A 99 ARG C A 100 PRO N 1.0 110.0 156.84 PSI stop_ save_