data_nef_c36060_5x4f 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 5X4F 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 MET start . . 2 A 2 SER middle . . 3 A 3 GLU middle . . 4 A 4 TYR middle . . 5 A 5 ILE middle . . 6 A 6 ARG middle . . 7 A 7 VAL middle . . 8 A 8 THR middle . . 9 A 9 GLU middle . . 10 A 10 ASP middle . . 11 A 11 GLU middle . . 12 A 12 ASN middle . . 13 A 13 ASP middle . . 14 A 14 GLU middle . . 15 A 15 PRO middle . false 16 A 16 ILE middle . . 17 A 17 GLU middle . . 18 A 18 ILE middle . . 19 A 19 PRO middle . false 20 A 20 SER middle . . 21 A 21 GLU middle . . 22 A 22 ASP middle . . 23 A 23 ASP middle . . 24 A 24 GLY middle . false 25 A 25 THR middle . . 26 A 26 VAL middle . . 27 A 27 LEU middle . . 28 A 28 LEU middle . . 29 A 29 SER middle . . 30 A 30 THR middle . . 31 A 31 VAL middle . . 32 A 32 THR middle . . 33 A 33 ALA middle . . 34 A 34 GLN middle . . 35 A 35 PHE middle . . 36 A 36 PRO middle . false 37 A 37 GLY middle . false 38 A 38 ALA middle . . 39 A 39 SER middle . . 40 A 40 GLY middle . false 41 A 41 LEU middle . . 42 A 42 ARG middle . . 43 A 43 TYR middle . . 44 A 44 ARG middle . . 45 A 45 ASN middle . . 46 A 46 PRO middle . false 47 A 47 VAL middle . . 48 A 48 SER middle . . 49 A 49 GLN middle . . 50 A 50 SER middle . . 51 A 51 MET middle . . 52 A 52 ARG middle . . 53 A 53 GLY middle . false 54 A 54 VAL middle . . 55 A 55 ARG middle . . 56 A 56 LEU middle . . 57 A 57 VAL middle . . 58 A 58 GLU middle . . 59 A 59 GLY middle . false 60 A 60 ILE middle . . 61 A 61 LEU middle . . 62 A 62 HIS middle . . 63 A 63 ALA middle . . 64 A 64 PRO middle . false 65 A 65 ASP middle . . 66 A 66 ALA middle . . 67 A 67 GLY middle . false 68 A 68 TRP middle . . 69 A 69 GLY middle . false 70 A 70 ASN middle . . 71 A 71 LEU middle . . 72 A 72 VAL middle . . 73 A 73 TYR middle . . 74 A 74 VAL middle . . 75 A 75 VAL middle . . 76 A 76 ASN middle . . 77 A 77 TYR 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 SER C C 13 171.733 0.000 A 2 SER CA C 13 57.583 0.054 A 2 SER CB C 13 65.338 0.070 A 3 GLU H H 1 8.188 0.006 A 3 GLU HA H 1 4.824 0.013 A 3 GLU HBx H 1 1.929 0.008 A 3 GLU HGx H 1 2.312 0.006 A 3 GLU C C 13 176.079 0.000 A 3 GLU CA C 13 55.626 0.147 A 3 GLU CB C 13 30.827 0.219 A 3 GLU CG C 13 36.115 0.024 A 3 GLU N N 15 120.715 0.032 A 4 TYR H H 1 8.349 0.009 A 4 TYR HA H 1 4.494 0.019 A 4 TYR HBx H 1 2.939 0.000 A 4 TYR HDx H 1 6.930 0.000 A 4 TYR HEx H 1 6.627 0.014 A 4 TYR C C 13 175.569 0.000 A 4 TYR CA C 13 56.892 0.105 A 4 TYR CB C 13 41.119 0.050 A 4 TYR N N 15 119.337 0.067 A 5 ILE H H 1 8.905 0.010 A 5 ILE HA H 1 4.549 0.007 A 5 ILE HB H 1 1.363 0.010 A 5 ILE HD1% H 1 -0.522 0.008 A 5 ILE HG1x H 1 -0.239 0.006 A 5 ILE HG2% H 1 -0.236 0.002 A 5 ILE C C 13 175.099 0.000 A 5 ILE CA C 13 59.335 0.120 A 5 ILE CB C 13 40.486 0.078 A 5 ILE CG1 C 13 27.159 0.000 A 5 ILE CG2 C 13 17.286 0.241 A 5 ILE N N 15 116.770 0.039 A 6 ARG H H 1 8.236 0.006 A 6 ARG HA H 1 4.971 0.021 A 6 ARG HBy H 1 1.845 0.011 A 6 ARG HBx H 1 1.620 0.017 A 6 ARG HDy H 1 3.109 0.013 A 6 ARG HDx H 1 3.007 0.010 A 6 ARG HE H 1 7.116 0.013 A 6 ARG HGx H 1 1.398 0.011 A 6 ARG C C 13 172.404 0.000 A 6 ARG CA C 13 55.774 0.064 A 6 ARG CB C 13 31.388 0.048 A 6 ARG CD C 13 43.882 0.084 A 6 ARG CG C 13 27.637 0.072 A 6 ARG CZ C 13 159.501 0.000 A 6 ARG N N 15 121.316 0.051 A 6 ARG NE N 15 84.661 0.023 A 7 VAL H H 1 8.975 0.011 A 7 VAL HA H 1 5.491 0.025 A 7 VAL HB H 1 1.724 0.018 A 7 VAL HGx% H 1 0.559 0.006 A 7 VAL HGy% H 1 0.739 0.009 A 7 VAL C C 13 173.854 0.000 A 7 VAL CA C 13 59.668 0.058 A 7 VAL CB C 13 35.548 0.070 A 7 VAL CGy C 13 23.957 0.046 A 7 VAL CGx C 13 22.604 0.062 A 7 VAL N N 15 121.795 0.067 A 8 THR H H 1 8.638 0.008 A 8 THR HA H 1 4.992 0.018 A 8 THR HB H 1 3.660 0.011 A 8 THR HG2% H 1 0.824 0.015 A 8 THR C C 13 171.824 0.000 A 8 THR CA C 13 57.832 0.031 A 8 THR CB C 13 71.587 0.099 A 8 THR CG2 C 13 20.780 0.041 A 8 THR N N 15 117.935 0.029 A 9 GLU H H 1 8.727 0.006 A 9 GLU HA H 1 4.190 0.009 A 9 GLU HBy H 1 2.150 0.011 A 9 GLU HBx H 1 2.049 0.009 A 9 GLU HGy H 1 2.256 0.018 A 9 GLU HGx H 1 2.159 0.008 A 9 GLU C C 13 175.686 0.000 A 9 GLU CA C 13 57.399 0.076 A 9 GLU CB C 13 30.835 0.049 A 9 GLU CG C 13 37.314 0.063 A 9 GLU N N 15 123.198 0.041 A 10 ASP H H 1 7.913 0.011 A 10 ASP HA H 1 4.582 0.012 A 10 ASP HBy H 1 2.640 0.008 A 10 ASP HBx H 1 2.460 0.007 A 10 ASP C C 13 176.325 0.000 A 10 ASP CA C 13 53.428 0.073 A 10 ASP CB C 13 44.433 0.067 A 10 ASP N N 15 119.396 0.044 A 11 GLU H H 1 9.206 0.011 A 11 GLU HA H 1 3.815 0.005 A 11 GLU HBy H 1 1.921 0.010 A 11 GLU HBx H 1 1.884 0.000 A 11 GLU HGx H 1 2.080 0.009 A 11 GLU C C 13 176.136 0.000 A 11 GLU CA C 13 59.507 0.071 A 11 GLU CB C 13 29.989 0.063 A 11 GLU CG C 13 37.413 0.020 A 11 GLU N N 15 126.489 0.037 A 12 ASN H H 1 9.045 0.006 A 12 ASN HA H 1 4.627 0.010 A 12 ASN HBy H 1 2.751 0.013 A 12 ASN HBx H 1 2.581 0.014 A 12 ASN HD2y H 1 6.563 0.007 A 12 ASN HD2x H 1 6.345 0.005 A 12 ASN C C 13 179.120 0.000 A 12 ASN CA C 13 53.891 0.161 A 12 ASN CB C 13 39.101 0.039 A 12 ASN N N 15 116.939 0.034 A 12 ASN ND2 N 15 115.441 0.049 A 13 ASP H H 1 7.999 0.012 A 13 ASP HA H 1 4.829 0.017 A 13 ASP HBy H 1 2.658 0.018 A 13 ASP HBx H 1 2.502 0.006 A 13 ASP C C 13 175.784 0.000 A 13 ASP CA C 13 52.889 0.171 A 13 ASP CB C 13 42.240 0.038 A 13 ASP N N 15 121.091 0.053 A 14 GLU H H 1 8.575 0.006 A 14 GLU HA H 1 4.411 0.009 A 14 GLU HBy H 1 1.926 0.008 A 14 GLU HBx H 1 1.862 0.000 A 14 GLU HGy H 1 2.318 0.005 A 14 GLU HGx H 1 2.158 0.000 A 14 GLU CA C 13 54.186 0.051 A 14 GLU CB C 13 29.743 0.090 A 14 GLU N N 15 123.104 0.025 A 15 PRO HA H 1 4.673 0.014 A 15 PRO HBx H 1 2.038 0.018 A 15 PRO HDy H 1 3.961 0.014 A 15 PRO HDx H 1 3.616 0.013 A 15 PRO HGy H 1 1.905 0.011 A 15 PRO HGx H 1 1.823 0.013 A 15 PRO CA C 13 62.334 0.063 A 15 PRO CB C 13 33.723 0.041 A 15 PRO CD C 13 50.823 0.045 A 15 PRO CG C 13 27.236 0.042 A 16 ILE H H 1 9.141 0.009 A 16 ILE HA H 1 4.456 0.008 A 16 ILE HB H 1 1.886 0.011 A 16 ILE HD1% H 1 0.719 0.007 A 16 ILE HG1y H 1 1.442 0.019 A 16 ILE HG1x H 1 1.316 0.009 A 16 ILE HG2% H 1 0.876 0.007 A 16 ILE C C 13 174.716 0.000 A 16 ILE CA C 13 59.442 0.047 A 16 ILE CB C 13 40.517 0.070 A 16 ILE CG1 C 13 26.845 0.153 A 16 ILE CG2 C 13 17.831 0.127 A 16 ILE N N 15 118.389 0.031 A 17 GLU H H 1 8.601 0.011 A 17 GLU HA H 1 4.406 0.005 A 17 GLU HBy H 1 1.973 0.014 A 17 GLU HBx H 1 1.750 0.009 A 17 GLU HGy H 1 2.171 0.001 A 17 GLU HGx H 1 2.123 0.010 A 17 GLU C C 13 174.949 0.000 A 17 GLU CA C 13 55.501 0.103 A 17 GLU CB C 13 31.347 0.072 A 17 GLU CG C 13 36.172 0.084 A 17 GLU N N 15 123.254 0.027 A 18 ILE H H 1 8.358 0.006 A 18 ILE HA H 1 4.966 0.026 A 18 ILE HB H 1 1.878 0.009 A 18 ILE HD1% H 1 0.715 0.003 A 18 ILE HG1x H 1 1.329 0.000 A 18 ILE HG2% H 1 0.877 0.002 A 18 ILE CA C 13 57.228 0.002 A 18 ILE CB C 13 41.134 0.016 A 18 ILE N N 15 119.617 0.064 A 19 PRO HDx H 1 3.632 0.000 A 19 PRO C C 13 175.564 0.000 A 19 PRO CA C 13 62.559 0.116 A 19 PRO CB C 13 32.330 0.104 A 19 PRO CG C 13 27.259 0.000 A 20 SER H H 1 7.895 0.010 A 20 SER HA H 1 4.510 0.019 A 20 SER HBy H 1 3.848 0.007 A 20 SER HBx H 1 3.122 0.007 A 20 SER C C 13 175.212 0.000 A 20 SER CA C 13 56.256 0.025 A 20 SER CB C 13 65.461 0.077 A 20 SER N N 15 114.037 0.069 A 21 GLU H H 1 9.269 0.008 A 21 GLU HA H 1 4.204 0.011 A 21 GLU HBx H 1 2.091 0.018 A 21 GLU HGx H 1 2.265 0.008 A 21 GLU C C 13 179.042 0.000 A 21 GLU CA C 13 54.662 0.080 A 21 GLU CB C 13 30.755 0.065 A 21 GLU CG C 13 37.064 0.017 A 21 GLU N N 15 118.533 0.023 A 22 ASP H H 1 9.062 0.008 A 22 ASP HA H 1 4.255 0.010 A 22 ASP HBy H 1 2.582 0.017 A 22 ASP HBx H 1 2.493 0.007 A 22 ASP C C 13 176.809 0.000 A 22 ASP CA C 13 57.277 0.113 A 22 ASP CB C 13 39.955 0.045 A 22 ASP N N 15 122.922 0.050 A 23 ASP H H 1 7.674 0.009 A 23 ASP HA H 1 4.428 0.008 A 23 ASP HBy H 1 3.023 0.012 A 23 ASP HBx H 1 2.502 0.008 A 23 ASP C C 13 177.507 0.000 A 23 ASP CA C 13 53.027 0.084 A 23 ASP CB C 13 39.879 0.062 A 23 ASP N N 15 116.008 0.025 A 24 GLY H H 1 8.126 0.009 A 24 GLY HAy H 1 4.333 0.008 A 24 GLY HAx H 1 3.874 0.014 A 24 GLY C C 13 175.604 0.000 A 24 GLY CA C 13 45.556 0.048 A 24 GLY N N 15 107.780 0.034 A 25 THR H H 1 7.892 0.007 A 25 THR HA H 1 4.728 0.007 A 25 THR HB H 1 3.941 0.004 A 25 THR HG2% H 1 0.735 0.010 A 25 THR C C 13 172.584 0.000 A 25 THR CA C 13 61.584 0.043 A 25 THR CB C 13 71.090 0.091 A 25 THR CG2 C 13 21.669 0.029 A 25 THR N N 15 114.023 0.127 A 26 VAL H H 1 8.495 0.009 A 26 VAL HA H 1 4.300 0.011 A 26 VAL HB H 1 1.397 0.006 A 26 VAL HGx% H 1 -0.006 0.009 A 26 VAL HGy% H 1 0.428 0.003 A 26 VAL C C 13 175.223 0.000 A 26 VAL CA C 13 60.928 0.191 A 26 VAL CB C 13 35.255 0.047 A 26 VAL CGy C 13 21.785 0.054 A 26 VAL CGx C 13 20.713 0.059 A 26 VAL N N 15 117.805 0.024 A 27 LEU H H 1 8.466 0.012 A 27 LEU HA H 1 4.307 0.012 A 27 LEU HBy H 1 2.028 0.012 A 27 LEU HBx H 1 1.914 0.011 A 27 LEU HDx% H 1 0.696 0.020 A 27 LEU HDy% H 1 0.455 0.015 A 27 LEU HG H 1 1.454 0.006 A 27 LEU C C 13 175.362 0.000 A 27 LEU CA C 13 54.959 0.073 A 27 LEU CB C 13 40.413 0.067 A 27 LEU CG C 13 25.243 0.012 A 27 LEU N N 15 125.864 0.047 A 28 LEU H H 1 8.644 0.011 A 28 LEU HA H 1 5.097 0.000 A 28 LEU HBy H 1 1.796 0.028 A 28 LEU HBx H 1 1.484 0.008 A 28 LEU HDx% H 1 0.752 0.012 A 28 LEU HDy% H 1 0.408 0.006 A 28 LEU HG H 1 0.996 0.016 A 28 LEU C C 13 178.680 0.000 A 28 LEU CA C 13 58.234 0.038 A 28 LEU CB C 13 40.993 0.053 A 28 LEU CG C 13 26.192 0.001 A 28 LEU N N 15 125.602 0.086 A 29 SER H H 1 8.690 0.007 A 29 SER HA H 1 4.333 0.009 A 29 SER HBy H 1 3.846 0.014 A 29 SER HBx H 1 3.690 0.010 A 29 SER C C 13 176.667 0.000 A 29 SER CA C 13 60.239 0.051 A 29 SER CB C 13 61.742 0.033 A 29 SER N N 15 112.657 0.030 A 30 THR H H 1 7.464 0.016 A 30 THR HA H 1 3.912 0.010 A 30 THR HB H 1 4.332 0.012 A 30 THR HG2% H 1 1.316 0.006 A 30 THR C C 13 176.230 0.000 A 30 THR CA C 13 65.195 0.092 A 30 THR CB C 13 67.460 0.075 A 30 THR CG2 C 13 24.142 0.048 A 30 THR N N 15 121.600 0.034 A 31 VAL H H 1 7.237 0.015 A 31 VAL HA H 1 3.560 0.016 A 31 VAL HB H 1 2.434 0.019 A 31 VAL HGx% H 1 0.761 0.006 A 31 VAL HGy% H 1 0.711 0.010 A 31 VAL C C 13 178.933 0.000 A 31 VAL CA C 13 66.566 0.049 A 31 VAL CB C 13 31.794 0.034 A 31 VAL CGx C 13 22.186 0.022 A 31 VAL N N 15 120.911 0.045 A 32 THR H H 1 9.188 0.008 A 32 THR HA H 1 4.199 0.015 A 32 THR HB H 1 4.355 0.014 A 32 THR HG2% H 1 1.313 0.010 A 32 THR C C 13 176.415 0.000 A 32 THR CA C 13 64.183 0.076 A 32 THR CB C 13 68.798 0.040 A 32 THR CG2 C 13 23.270 0.053 A 32 THR N N 15 113.075 0.052 A 33 ALA H H 1 7.277 0.027 A 33 ALA HA H 1 4.011 0.018 A 33 ALA HB% H 1 1.418 0.007 A 33 ALA C C 13 174.558 0.000 A 33 ALA CA C 13 54.586 0.068 A 33 ALA CB C 13 18.124 0.208 A 33 ALA N N 15 121.955 0.036 A 34 GLN H H 1 8.360 0.019 A 34 GLN HA H 1 4.628 0.006 A 34 GLN HBy H 1 2.039 0.007 A 34 GLN HBx H 1 1.926 0.007 A 34 GLN HE2y H 1 7.778 0.011 A 34 GLN HE2x H 1 6.833 0.007 A 34 GLN HGy H 1 2.308 0.008 A 34 GLN HGx H 1 2.052 0.009 A 34 GLN CA C 13 56.584 0.000 A 34 GLN CB C 13 30.397 0.025 A 34 GLN CG C 13 35.019 0.024 A 34 GLN N N 15 121.522 0.066 A 34 GLN NE2 N 15 112.497 0.064 A 35 PHE H H 1 8.039 0.007 A 35 PHE HA H 1 4.982 0.014 A 35 PHE HBy H 1 2.939 0.000 A 35 PHE HBx H 1 2.750 0.011 A 35 PHE HDx H 1 6.957 0.015 A 35 PHE CA C 13 56.940 0.020 A 35 PHE N N 15 120.439 0.052 A 36 PRO HA H 1 4.870 0.031 A 36 PRO HBx H 1 2.009 0.011 A 36 PRO HDy H 1 3.630 0.007 A 36 PRO HDx H 1 3.222 0.010 A 36 PRO HGy H 1 1.947 0.054 A 36 PRO HGx H 1 1.869 0.037 A 36 PRO C C 13 178.521 0.000 A 36 PRO CA C 13 64.353 0.079 A 36 PRO CB C 13 31.374 0.026 A 36 PRO CD C 13 49.895 0.027 A 36 PRO CG C 13 27.659 0.021 A 37 GLY H H 1 8.788 0.006 A 37 GLY HAy H 1 4.331 0.011 A 37 GLY HAx H 1 3.682 0.008 A 37 GLY C C 13 174.622 0.000 A 37 GLY CA C 13 44.730 0.059 A 37 GLY N N 15 111.038 0.038 A 38 ALA H H 1 8.042 0.010 A 38 ALA HA H 1 3.947 0.012 A 38 ALA HB% H 1 1.224 0.009 A 38 ALA C C 13 176.863 0.000 A 38 ALA CA C 13 53.534 0.074 A 38 ALA CB C 13 20.046 0.048 A 38 ALA N N 15 123.504 0.068 A 39 SER H H 1 9.141 0.007 A 39 SER HA H 1 4.531 0.020 A 39 SER HBy H 1 3.839 0.008 A 39 SER HBx H 1 3.673 0.002 A 39 SER C C 13 174.728 0.000 A 39 SER CA C 13 56.866 0.069 A 39 SER CB C 13 65.295 0.036 A 39 SER N N 15 113.323 0.028 A 40 GLY H H 1 7.383 0.009 A 40 GLY HAy H 1 4.268 0.023 A 40 GLY HAx H 1 3.595 0.013 A 40 GLY C C 13 170.828 0.000 A 40 GLY CA C 13 44.880 0.057 A 40 GLY N N 15 106.709 0.034 A 41 LEU H H 1 8.944 0.014 A 41 LEU HA H 1 5.298 0.008 A 41 LEU HBy H 1 1.566 0.010 A 41 LEU HBx H 1 1.475 0.018 A 41 LEU HDx% H 1 0.770 0.010 A 41 LEU HDy% H 1 0.531 0.020 A 41 LEU HG H 1 1.374 0.006 A 41 LEU C C 13 175.803 0.000 A 41 LEU CA C 13 53.415 0.054 A 41 LEU CB C 13 48.512 0.034 A 41 LEU CDx C 13 23.899 0.064 A 41 LEU CG C 13 26.348 0.030 A 41 LEU N N 15 118.079 0.042 A 42 ARG H H 1 9.448 0.008 A 42 ARG HA H 1 5.560 0.009 A 42 ARG HBy H 1 1.695 0.011 A 42 ARG HBx H 1 1.578 0.008 A 42 ARG HDy H 1 3.006 0.013 A 42 ARG HDx H 1 2.857 0.016 A 42 ARG HE H 1 6.936 0.010 A 42 ARG HGy H 1 1.601 0.014 A 42 ARG HGx H 1 1.296 0.012 A 42 ARG C C 13 173.528 0.000 A 42 ARG CA C 13 54.388 0.055 A 42 ARG CB C 13 34.738 0.051 A 42 ARG CD C 13 43.647 0.093 A 42 ARG CG C 13 26.877 0.036 A 42 ARG CZ C 13 159.337 0.000 A 42 ARG N N 15 120.395 0.025 A 42 ARG NE N 15 83.604 0.083 A 43 TYR H H 1 8.975 0.008 A 43 TYR HA H 1 4.804 0.012 A 43 TYR HBy H 1 2.957 0.010 A 43 TYR HBx H 1 2.372 0.012 A 43 TYR HDx H 1 6.997 0.009 A 43 TYR HEx H 1 6.537 0.007 A 43 TYR C C 13 175.029 0.000 A 43 TYR CA C 13 55.912 0.060 A 43 TYR CB C 13 40.889 0.036 A 43 TYR N N 15 116.023 0.049 A 44 ARG H H 1 8.973 0.010 A 44 ARG HA H 1 5.464 0.003 A 44 ARG CA C 13 54.993 0.000 A 44 ARG CB C 13 30.443 0.000 A 44 ARG N N 15 121.664 0.096 A 45 ASN HA H 1 4.224 0.022 A 45 ASN HBy H 1 3.052 0.019 A 45 ASN HBx H 1 2.908 0.000 A 46 PRO HA H 1 4.421 0.007 A 46 PRO HBx H 1 2.240 0.008 A 46 PRO HDy H 1 3.955 0.008 A 46 PRO HDx H 1 3.627 0.026 A 46 PRO HGx H 1 1.845 0.005 A 46 PRO C C 13 177.418 0.000 A 46 PRO CA C 13 64.397 0.061 A 46 PRO CB C 13 32.206 0.066 A 46 PRO CD C 13 50.930 0.015 A 46 PRO CG C 13 27.567 0.025 A 47 VAL H H 1 7.902 0.007 A 47 VAL HA H 1 3.836 0.006 A 47 VAL HB H 1 2.106 0.014 A 47 VAL HGx% H 1 0.895 0.015 A 47 VAL HGy% H 1 0.854 0.015 A 47 VAL C C 13 177.094 0.000 A 47 VAL CA C 13 64.798 0.037 A 47 VAL CB C 13 31.914 0.072 A 47 VAL CGy C 13 21.578 0.036 A 47 VAL CGx C 13 21.011 0.079 A 47 VAL N N 15 117.136 0.037 A 48 SER H H 1 7.586 0.014 A 48 SER HA H 1 4.355 0.006 A 48 SER HBy H 1 3.960 0.007 A 48 SER HBx H 1 3.656 0.006 A 48 SER C C 13 175.346 0.000 A 48 SER CA C 13 58.178 0.053 A 48 SER CB C 13 64.834 0.041 A 48 SER N N 15 112.725 0.031 A 49 GLN H H 1 8.288 0.008 A 49 GLN HA H 1 3.796 0.013 A 49 GLN HBy H 1 2.261 0.010 A 49 GLN HBx H 1 2.091 0.010 A 49 GLN HE2y H 1 7.333 0.005 A 49 GLN HE2x H 1 6.713 0.016 A 49 GLN HGy H 1 2.227 0.007 A 49 GLN HGx H 1 2.084 0.007 A 49 GLN C C 13 174.735 0.000 A 49 GLN CA C 13 57.135 0.101 A 49 GLN CB C 13 25.949 0.102 A 49 GLN CG C 13 33.481 0.050 A 49 GLN N N 15 116.106 0.051 A 49 GLN NE2 N 15 113.074 0.060 A 50 SER H H 1 7.682 0.006 A 50 SER HA H 1 4.510 0.008 A 50 SER HBy H 1 3.675 0.012 A 50 SER HBx H 1 3.109 0.018 A 50 SER C C 13 173.660 0.000 A 50 SER CA C 13 57.233 0.083 A 50 SER CB C 13 64.830 0.066 A 50 SER N N 15 113.725 0.050 A 51 MET H H 1 8.643 0.005 A 51 MET HA H 1 4.793 0.055 A 51 MET HBy H 1 1.893 0.013 A 51 MET HBx H 1 1.551 0.011 A 51 MET HGy H 1 2.470 0.015 A 51 MET HGx H 1 2.364 0.008 A 51 MET C C 13 176.579 0.000 A 51 MET CA C 13 54.218 0.038 A 51 MET CB C 13 32.013 0.054 A 51 MET CG C 13 31.912 0.079 A 51 MET N N 15 121.791 0.036 A 52 ARG H H 1 9.018 0.012 A 52 ARG HA H 1 4.442 0.018 A 52 ARG HBy H 1 1.390 0.013 A 52 ARG HBx H 1 0.958 0.015 A 52 ARG HDy H 1 3.078 0.007 A 52 ARG HDx H 1 3.056 0.007 A 52 ARG HGx H 1 1.358 0.016 A 52 ARG C C 13 174.676 0.000 A 52 ARG CA C 13 53.677 0.069 A 52 ARG CB C 13 33.174 0.036 A 52 ARG CD C 13 42.890 0.046 A 52 ARG CG C 13 26.377 0.074 A 52 ARG N N 15 124.411 0.018 A 53 GLY H H 1 8.535 0.006 A 53 GLY HAy H 1 4.322 0.009 A 53 GLY HAx H 1 3.673 0.010 A 53 GLY C C 13 174.497 0.000 A 53 GLY CA C 13 44.814 0.069 A 53 GLY N N 15 107.225 0.029 A 54 VAL H H 1 8.188 0.011 A 54 VAL HA H 1 4.127 0.012 A 54 VAL HB H 1 1.932 0.010 A 54 VAL HGx% H 1 1.164 0.007 A 54 VAL HGy% H 1 0.872 0.008 A 54 VAL C C 13 176.191 0.000 A 54 VAL CA C 13 62.410 0.061 A 54 VAL CB C 13 32.602 0.096 A 54 VAL CGy C 13 25.038 0.040 A 54 VAL CGx C 13 23.555 0.000 A 54 VAL N N 15 124.372 0.051 A 55 ARG H H 1 9.332 0.005 A 55 ARG HA H 1 3.968 0.005 A 55 ARG HBy H 1 1.720 0.012 A 55 ARG HBx H 1 1.529 0.018 A 55 ARG HDy H 1 3.043 0.014 A 55 ARG HDx H 1 2.919 0.024 A 55 ARG HE H 1 8.060 0.007 A 55 ARG HGy H 1 1.319 0.005 A 55 ARG HGx H 1 1.135 0.026 A 55 ARG C C 13 173.222 0.000 A 55 ARG CA C 13 58.461 0.052 A 55 ARG CB C 13 31.027 0.057 A 55 ARG CD C 13 43.405 0.011 A 55 ARG CG C 13 27.804 0.027 A 55 ARG CZ C 13 159.645 0.000 A 55 ARG N N 15 132.154 0.033 A 55 ARG NE N 15 84.165 0.026 A 56 LEU H H 1 8.186 0.004 A 56 LEU HA H 1 5.243 0.025 A 56 LEU HBy H 1 1.853 0.012 A 56 LEU HBx H 1 1.437 0.016 A 56 LEU HDx% H 1 0.981 0.013 A 56 LEU HDy% H 1 0.729 0.005 A 56 LEU HG H 1 1.338 0.018 A 56 LEU C C 13 176.121 0.000 A 56 LEU CA C 13 53.578 0.066 A 56 LEU CB C 13 44.067 0.034 A 56 LEU CG C 13 27.262 0.022 A 56 LEU N N 15 129.702 0.024 A 57 VAL H H 1 9.209 0.009 A 57 VAL HA H 1 4.258 0.013 A 57 VAL HB H 1 2.012 0.014 A 57 VAL HGx% H 1 0.889 0.016 A 57 VAL HGy% H 1 0.740 0.010 A 57 VAL C C 13 175.999 0.000 A 57 VAL CA C 13 61.295 0.048 A 57 VAL CB C 13 34.792 0.076 A 57 VAL CGy C 13 21.071 0.043 A 57 VAL CGx C 13 20.457 0.023 A 57 VAL N N 15 127.736 0.031 A 58 GLU H H 1 9.567 0.004 A 58 GLU HA H 1 3.802 0.005 A 58 GLU HBy H 1 2.125 0.058 A 58 GLU HBx H 1 1.940 0.012 A 58 GLU HGy H 1 2.251 0.017 A 58 GLU HGx H 1 2.189 0.017 A 58 GLU C C 13 176.039 0.000 A 58 GLU CA C 13 57.058 0.091 A 58 GLU CB C 13 27.736 0.071 A 58 GLU CG C 13 36.368 0.038 A 58 GLU N N 15 128.546 0.036 A 59 GLY H H 1 8.327 0.004 A 59 GLY HAy H 1 4.140 0.005 A 59 GLY HAx H 1 3.509 0.015 A 59 GLY C C 13 173.170 0.000 A 59 GLY CA C 13 45.890 0.060 A 59 GLY N N 15 102.546 0.029 A 60 ILE H H 1 8.116 0.010 A 60 ILE HA H 1 4.166 0.008 A 60 ILE HB H 1 2.140 0.011 A 60 ILE HD1% H 1 0.751 0.007 A 60 ILE HG1y H 1 1.456 0.010 A 60 ILE HG1x H 1 1.064 0.027 A 60 ILE HG2% H 1 0.476 0.009 A 60 ILE C C 13 174.465 0.000 A 60 ILE CA C 13 61.245 0.063 A 60 ILE CB C 13 38.560 0.083 A 60 ILE CD1 C 13 12.110 0.085 A 60 ILE CG1 C 13 27.060 0.011 A 60 ILE CG2 C 13 17.991 0.054 A 60 ILE N N 15 123.878 0.073 A 61 LEU H H 1 9.264 0.011 A 61 LEU HA H 1 5.189 0.023 A 61 LEU HBx H 1 1.468 0.015 A 61 LEU HDx% H 1 0.803 0.016 A 61 LEU HG H 1 1.243 0.040 A 61 LEU C C 13 176.992 0.000 A 61 LEU CA C 13 54.349 0.182 A 61 LEU CB C 13 42.627 0.329 A 61 LEU CDx C 13 25.036 0.019 A 61 LEU CG C 13 27.165 0.015 A 61 LEU N N 15 128.913 0.059 A 62 HIS H H 1 8.374 0.007 A 62 HIS HA H 1 4.069 0.008 A 62 HIS HBy H 1 2.971 0.004 A 62 HIS HBx H 1 2.890 0.022 A 62 HIS C C 13 173.108 0.000 A 62 HIS CA C 13 54.965 0.741 A 62 HIS CB C 13 31.908 0.716 A 62 HIS N N 15 120.964 0.118 A 63 ALA H H 1 8.381 0.005 A 63 ALA HA H 1 4.668 0.002 A 63 ALA HB% H 1 1.207 0.008 A 63 ALA CA C 13 49.881 0.015 A 63 ALA CB C 13 15.962 0.002 A 63 ALA N N 15 125.528 0.044 A 64 PRO HA H 1 4.705 0.007 A 64 PRO HBx H 1 1.977 0.014 A 64 PRO HDy H 1 4.119 0.007 A 64 PRO HDx H 1 3.910 0.016 A 64 PRO HGx H 1 2.049 0.006 A 64 PRO C C 13 176.174 0.000 A 64 PRO CA C 13 62.131 0.052 A 64 PRO CB C 13 32.285 0.040 A 64 PRO CD C 13 50.569 0.021 A 64 PRO CG C 13 28.096 0.015 A 65 ASP H H 1 8.439 0.006 A 65 ASP HA H 1 4.032 0.006 A 65 ASP HBy H 1 2.563 0.015 A 65 ASP HBx H 1 2.465 0.012 A 65 ASP C C 13 177.062 0.000 A 65 ASP CA C 13 57.673 0.170 A 65 ASP CB C 13 40.114 0.058 A 65 ASP N N 15 122.323 0.081 A 66 ALA H H 1 8.025 0.004 A 66 ALA HA H 1 4.182 0.013 A 66 ALA HB% H 1 1.324 0.009 A 66 ALA C C 13 177.434 0.000 A 66 ALA CA C 13 52.571 0.052 A 66 ALA CB C 13 18.579 0.075 A 66 ALA N N 15 118.507 0.029 A 67 GLY H H 1 7.867 0.007 A 67 GLY HAy H 1 4.306 0.011 A 67 GLY HAx H 1 3.309 0.007 A 67 GLY C C 13 172.837 0.000 A 67 GLY CA C 13 43.133 0.072 A 67 GLY N N 15 108.137 0.027 A 68 TRP H H 1 8.497 0.011 A 68 TRP HA H 1 4.561 0.014 A 68 TRP HBy H 1 3.259 0.023 A 68 TRP HBx H 1 3.025 0.013 A 68 TRP HD1 H 1 6.962 0.018 A 68 TRP HE1 H 1 10.019 0.006 A 68 TRP HE3 H 1 7.139 0.005 A 68 TRP C C 13 180.475 0.000 A 68 TRP CA C 13 58.784 0.077 A 68 TRP CB C 13 30.902 0.065 A 68 TRP CE3 C 13 133.631 0.000 A 68 TRP N N 15 120.059 0.036 A 68 TRP NE1 N 15 127.655 0.032 A 69 GLY H H 1 8.558 0.007 A 69 GLY HAy H 1 3.807 0.012 A 69 GLY CA C 13 45.980 0.027 A 69 GLY N N 15 103.164 0.035 A 70 ASN H H 1 8.725 0.004 A 70 ASN HA H 1 5.118 0.003 A 70 ASN HBy H 1 2.778 0.014 A 70 ASN HBx H 1 2.542 0.013 A 70 ASN HD2y H 1 7.067 0.005 A 70 ASN HD2x H 1 6.815 0.004 A 70 ASN C C 13 175.241 0.000 A 70 ASN CA C 13 51.697 0.208 A 70 ASN CB C 13 38.363 0.043 A 70 ASN N N 15 120.100 0.060 A 70 ASN ND2 N 15 111.759 0.042 A 71 LEU H H 1 6.879 0.008 A 71 LEU HA H 1 4.094 0.012 A 71 LEU HBy H 1 1.415 0.008 A 71 LEU HBx H 1 1.042 0.027 A 71 LEU HDx% H 1 0.800 0.015 A 71 LEU HDy% H 1 0.752 0.013 A 71 LEU HG H 1 1.604 0.015 A 71 LEU C C 13 174.360 0.000 A 71 LEU CA C 13 54.820 0.071 A 71 LEU CB C 13 41.602 0.045 A 71 LEU CDx C 13 25.679 0.027 A 71 LEU CG C 13 27.168 0.051 A 71 LEU N N 15 118.205 0.037 A 72 VAL H H 1 7.782 0.017 A 72 VAL HA H 1 4.001 0.013 A 72 VAL HB H 1 1.744 0.011 A 72 VAL HGx% H 1 0.815 0.014 A 72 VAL HGy% H 1 0.704 0.010 A 72 VAL C C 13 174.465 0.000 A 72 VAL CA C 13 62.269 0.093 A 72 VAL CB C 13 32.124 0.060 A 72 VAL CGy C 13 22.636 0.020 A 72 VAL CGx C 13 21.954 0.016 A 72 VAL N N 15 118.280 0.021 A 73 TYR H H 1 8.881 0.009 A 73 TYR HA H 1 4.645 0.015 A 73 TYR HBy H 1 2.955 0.009 A 73 TYR HBx H 1 2.684 0.010 A 73 TYR HDy H 1 7.058 0.021 A 73 TYR HDx H 1 6.764 0.008 A 73 TYR HEx H 1 6.407 0.003 A 73 TYR C C 13 174.344 0.000 A 73 TYR CA C 13 58.050 0.113 A 73 TYR CB C 13 40.507 0.033 A 73 TYR N N 15 127.732 0.020 A 74 VAL H H 1 9.447 0.009 A 74 VAL HA H 1 4.754 0.017 A 74 VAL HB H 1 1.572 0.005 A 74 VAL HGx% H 1 0.773 0.013 A 74 VAL HGy% H 1 0.642 0.021 A 74 VAL C C 13 180.046 0.000 A 74 VAL CA C 13 59.792 0.049 A 74 VAL CB C 13 32.975 0.434 A 74 VAL CGx C 13 25.199 0.021 A 74 VAL N N 15 122.608 0.022 A 75 VAL H H 1 7.217 0.017 A 75 VAL HA H 1 3.551 0.009 A 75 VAL HB H 1 1.734 0.005 A 75 VAL HGx% H 1 0.794 0.013 A 75 VAL HGy% H 1 0.696 0.000 A 75 VAL C C 13 174.404 0.000 A 75 VAL CA C 13 64.340 0.794 A 75 VAL CB C 13 32.569 0.057 A 75 VAL CGx C 13 21.787 0.032 A 75 VAL N N 15 120.802 0.050 A 76 ASN H H 1 7.862 0.008 A 76 ASN HA H 1 4.725 0.008 A 76 ASN HBy H 1 2.374 0.008 A 76 ASN HBx H 1 2.042 0.014 A 76 ASN HD2y H 1 7.305 0.006 A 76 ASN HD2x H 1 6.574 0.005 A 76 ASN C C 13 173.774 0.000 A 76 ASN CA C 13 50.733 0.073 A 76 ASN CB C 13 40.414 0.067 A 76 ASN N N 15 124.038 0.049 A 76 ASN ND2 N 15 111.327 0.030 A 77 TYR H H 1 8.736 0.005 A 77 TYR HA H 1 4.667 0.009 A 77 TYR HBy H 1 3.129 0.018 A 77 TYR HBx H 1 2.533 0.010 A 77 TYR HDx H 1 6.919 0.009 A 77 TYR HEx H 1 6.665 0.010 A 77 TYR C C 13 176.274 0.000 A 77 TYR CA C 13 58.239 0.041 A 77 TYR CB C 13 40.089 0.097 A 77 TYR CDx C 13 132.616 0.020 A 77 TYR N N 15 121.828 0.041 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 72 VAL HB A 72 VAL HGy% 1.0 1.542 2.628 2 2 A 31 VAL HB A 31 VAL HGy% 1.0 1.967 7.069 3 3 A 72 VAL HB A 72 VAL HA 1.0 1.425 2.285 4 4 A 72 VAL HA A 72 VAL HGx% 1.0 1.811 3.727 5 5 A 5 ILE HA A 5 ILE HG2% 1.0 1.847 3.941 6 6 A 5 ILE HB A 5 ILE HD1% 1.0 1.791 3.619 7 7 A 5 ILE HB A 71 LEU HDy% 1.0 1.927 4.547 8 8 A 5 ILE HA A 5 ILE HB 1.0 1.789 3.611 9 9 A 7 VAL HA A 7 VAL HB 1.0 1.844 3.920 10 10 A 7 VAL HA A 7 VAL HGy% 1.0 1.701 3.203 11 11 A 7 VAL HA A 7 VAL HGx% 1.0 1.808 3.712 12 12 A 7 VAL HB A 7 VAL HGy% 1.0 1.650 3.002 13 13 A 7 VAL HB A 73 TYR HDy 1.0 1.856 3.998 14 14 A 7 VAL HB A 7 VAL HGx% 1.0 1.695 3.183 15 15 A 7 VAL HGx% A 73 TYR HDy 1.0 1.785 3.595 16 16 A 7 VAL HGx% A 7 VAL H 1.0 1.918 4.462 17 17 A 7 VAL HGy% A 73 TYR HBx 1.0 1.890 4.238 18 18 A 7 VAL HGy% A 73 TYR HDy 1.0 1.860 4.020 19 19 A 8 THR HB A 13 ASP HBy 1.0 1.855 3.991 20 20 A 9 GLU HA A 9 GLU HBx 1.0 1.717 3.271 21 21 A 9 GLU HA A 13 ASP H 1.0 1.996 6.368 22 22 A 9 GLU HA A 77 TYR HEx 1.0 1.934 4.616 23 23 A 9 GLU HA A 9 GLU HBy 1.0 1.785 3.595 24 24 A 77 TYR HEx A 9 GLU HBy 1.0 1.943 4.715 25 25 A 10 ASP HBx A 10 ASP HBy 1.0 1.602 2.830 26 26 A 11 GLU HA A 11 GLU HBx 1.0 1.643 2.975 27 27 A 11 GLU HA A 8 THR HG2% 1.0 1.753 3.439 28 28 A 11 GLU HA A 74 VAL HGy% 1.0 1.797 3.653 29 29 A 11 GLU HBx A 12 ASN HBx 1.0 0.000 17.241 30 30 A 12 ASN HA A 12 ASN HBy 1.0 1.459 2.381 31 31 A 13 ASP HBy A 13 ASP HA 1.0 1.205 11.839 32 32 A 14 GLU HA A 14 GLU HBx 1.0 1.556 2.674 33 33 A 14 GLU HA A 14 GLU HGx 1.0 1.753 3.433 34 34 A 14 GLU HA A 15 PRO HDy 1.0 1.692 3.172 35 35 A 14 GLU HBx A 14 GLU HGx 1.0 1.536 2.612 36 36 A 21 GLU HA A 21 GLU HBy 1.0 1.599 2.819 37 37 A 21 GLU HA A 25 THR HG2% 1.0 1.989 5.413 38 38 A 23 ASP HA A 23 ASP HBx 1.0 1.635 2.945 39 39 A 23 ASP HA A 23 ASP HBy 1.0 1.404 2.230 40 40 A 23 ASP HBx A 23 ASP HBy 1.0 1.483 2.449 41 41 A 25 THR HB A 25 THR HA 1.0 1.464 10.680 42 42 A 26 VAL HA A 26 VAL HGx% 1.0 1.801 3.675 43 43 A 26 VAL HA A 26 VAL HB 1.0 1.763 3.483 44 44 A 29 SER HA A 29 SER HBx 1.0 1.719 3.283 45 45 A 29 SER HA A 29 SER HBy 1.0 1.751 3.427 46 46 A 29 SER HBx A 29 SER HBy 1.0 1.659 3.035 47 47 A 33 ALA HA A 33 ALA HB% 1.0 1.430 2.298 48 48 A 41 LEU HA A 40 GLY HAy 1.0 1.856 3.998 49 49 A 41 LEU HA A 41 LEU HDy% 1.0 1.752 3.430 50 50 A 42 ARG HA A 53 GLY HAy 1.0 1.821 3.789 51 51 A 42 ARG HA A 42 ARG HDx 1.0 1.892 4.246 52 52 A 42 ARG HA A 42 ARG HGx 1.0 1.536 2.610 53 53 A 47 VAL HB A 48 SER HBy 1.0 0.000 16.140 54 54 A 47 VAL HB A 47 VAL HA 1.0 1.565 2.705 55 55 A 47 VAL HA A 47 VAL HGy% 1.0 1.601 2.829 56 56 A 48 SER HBy A 48 SER HA 1.0 1.576 2.740 57 57 A 47 VAL HB A 48 SER HA 1.0 1.980 5.214 58 58 A 49 GLN HA A 45 ASN HBx 1.0 1.862 4.036 59 59 A 49 GLN HA A 45 ASN HBy 1.0 1.860 4.028 60 60 A 49 GLN HA A 49 GLN HGx 1.0 1.470 2.412 61 61 A 49 GLN HA A 49 GLN HBx 1.0 1.684 3.134 62 62 A 49 GLN HA A 49 GLN HGy 1.0 1.722 3.296 63 63 A 49 GLN HGx A 49 GLN HGy 1.0 1.752 3.430 64 64 A 50 SER HA A 50 SER HBx 1.0 1.538 2.616 65 65 A 51 MET HBy A 51 MET HA 1.0 1.853 3.983 66 66 A 52 ARG HBx A 52 ARG HBy 1.0 1.532 2.596 67 67 A 52 ARG HBy A 52 ARG HDx 1.0 1.762 3.480 68 68 A 52 ARG HBy A 52 ARG HA 1.0 1.797 3.653 69 69 A 52 ARG HBx A 43 TYR HEx 1.0 1.937 4.647 70 70 A 52 ARG HBy A 43 TYR HEx 1.0 1.865 4.059 71 71 A 53 GLY HAy A 41 LEU HBx 1.0 1.703 3.215 72 72 A 55 ARG HA A 55 ARG HBx 1.0 1.600 2.824 73 73 A 55 ARG HA A 55 ARG HBy 1.0 1.746 3.404 74 74 A 55 ARG HA A 55 ARG HGx 1.0 1.679 3.115 75 75 A 60 ILE HB A 60 ILE HG1y 1.0 1.820 3.784 76 76 A 60 ILE HB A 60 ILE HG2% 1.0 1.715 3.265 77 77 A 60 ILE HB A 60 ILE HA 1.0 1.818 3.768 78 78 A 61 LEU HA A 56 LEU HBy 1.0 1.906 4.360 79 79 A 61 LEU HA A 61 LEU HDx% 1.0 1.431 2.301 80 80 A 61 LEU HA A 60 ILE HG1x 1.0 0.000 46.633 81 81 A 77 TYR HBx A 77 TYR HA 1.0 1.880 4.158 82 82 A 67 GLY HAy A 68 TRP HE3 1.0 1.851 3.969 83 83 A 71 LEU HBy A 71 LEU HBx 1.0 1.656 3.024 84 84 A 71 LEU HBy A 71 LEU HG 1.0 1.669 3.075 85 85 A 71 LEU HBx A 71 LEU HA 1.0 1.701 3.207 86 86 A 71 LEU HBy A 71 LEU HA 1.0 1.744 3.392 87 87 A 72 VAL HGx% A 43 TYR HBx 1.0 1.820 3.778 88 88 A 72 VAL HGx% A 73 TYR HDx 1.0 1.972 5.068 89 89 A 72 VAL HGy% A 73 TYR H 1.0 1.639 9.761 90 90 A 74 VAL HB A 74 VAL HGx% 1.0 1.715 3.267 91 91 A 74 VAL HGy% A 74 VAL HB 1.0 1.387 2.185 92 92 A 74 VAL HB A 74 VAL HA 1.0 1.855 3.991 93 93 A 74 VAL HB A 42 ARG HBx 1.0 1.186 1.710 94 94 A 16 ILE HA A 16 ILE HD1% 1.0 1.884 4.190 95 95 A 16 ILE HA A 16 ILE H 1.0 1.899 4.305 96 96 A 16 ILE HA A 16 ILE HB 1.0 1.679 3.113 97 97 A 16 ILE H A 16 ILE HB 1.0 1.866 4.068 98 98 A 16 ILE HB A 16 ILE HG2% 1.0 1.589 2.783 99 99 A 16 ILE HD1% A 16 ILE HG2% 1.0 1.482 2.446 100 100 A 16 ILE HA A 16 ILE HG2% 1.0 1.651 3.007 101 101 A 16 ILE HG2% A 15 PRO HA 1.0 1.853 3.983 102 102 A 16 ILE H A 16 ILE HG2% 1.0 1.803 3.685 103 103 A 16 ILE H A 16 ILE HG1x 1.0 1.832 3.852 104 104 A 16 ILE HB A 16 ILE HG1x 1.0 1.940 4.678 105 105 A 17 GLU HA A 17 GLU HGy 1.0 1.570 2.720 106 106 A 17 GLU HA A 17 GLU HBx 1.0 1.634 2.944 107 107 A 17 GLU HA A 17 GLU HBy 1.0 1.492 2.478 108 108 A 15 PRO HDy A 15 PRO HDx 1.0 1.738 3.368 109 109 A 14 GLU HA A 15 PRO HDx 1.0 1.768 3.510 110 110 A 15 PRO HDx A 15 PRO HGx 1.0 1.645 2.985 111 111 A 14 GLU HA A 15 PRO HGx 1.0 1.869 4.085 112 112 A 15 PRO HDy A 15 PRO HGx 1.0 1.520 2.560 113 113 A 15 PRO HDx A 15 PRO HGy 1.0 1.511 2.533 114 114 A 31 VAL HB A 31 VAL HA 1.0 1.774 3.538 115 115 A 31 VAL HA A 31 VAL HGx% 1.0 1.432 2.306 116 116 A 31 VAL HGy% A 31 VAL HA 1.0 1.947 4.755 117 117 A 58 GLU HGx A 57 VAL HGx% 1.0 1.750 3.424 118 118 A 58 GLU HGx A 60 ILE HD1% 1.0 1.893 7.957 119 119 A 42 ARG HDx A 76 ASN HBx 1.0 1.747 3.409 120 120 A 76 ASN HBx A 76 ASN HA 1.0 1.685 3.139 121 121 A 76 ASN HA A 76 ASN HBy 1.0 1.973 5.097 122 122 A 76 ASN HBx A 76 ASN HBy 1.0 1.581 2.757 123 123 A 76 ASN HBy A 42 ARG HGy 1.0 1.858 4.012 124 124 A 77 TYR HA A 77 TYR HBy 1.0 1.440 2.328 125 125 A 77 TYR HBy A 77 TYR HDx 1.0 1.794 3.636 126 126 A 77 TYR HBx A 77 TYR HBy 1.0 1.505 2.513 127 127 A 72 VAL HGy% A 72 VAL HA 1.0 1.419 2.267 128 128 A 71 LEU HDy% A 71 LEU HBx 1.0 1.403 2.225 129 129 A 71 LEU HA A 71 LEU HDx% 1.0 1.416 2.260 130 130 A 70 ASN HBx A 70 ASN HBy 1.0 1.429 2.295 131 131 A 70 ASN HBy A 70 ASN HA 1.0 1.691 3.163 132 132 A 65 ASP HA A 65 ASP HBy 1.0 1.697 3.189 133 133 A 65 ASP HA A 65 ASP HBx 1.0 1.658 3.032 134 134 A 65 ASP HBy A 66 ALA HB% 1.0 1.830 3.840 135 135 A 63 ALA HA A 63 ALA HB% 1.0 1.858 4.012 136 136 A 64 PRO HDx A 64 PRO HA 1.0 1.895 4.265 137 137 A 64 PRO HA A 64 PRO HDy 1.0 1.868 4.076 138 138 A 60 ILE HG1y A 60 ILE HA 1.0 1.729 3.325 139 139 A 60 ILE HA A 60 ILE HG1x 1.0 1.494 2.482 140 140 A 60 ILE HB A 60 ILE HD1% 1.0 1.611 2.861 141 141 A 60 ILE HG1y A 60 ILE HD1% 1.0 1.583 2.767 142 142 A 60 ILE HG2% A 60 ILE HD1% 1.0 1.535 2.607 143 143 A 60 ILE HD1% A 58 GLU HA 1.0 1.082 12.338 144 144 A 60 ILE HD1% A 57 VAL H 1.0 1.905 4.353 145 145 A 60 ILE HD1% A 60 ILE H 1.0 1.852 3.976 146 146 A 60 ILE HG2% A 60 ILE HG1x 1.0 1.715 3.265 147 147 A 60 ILE HG2% A 60 ILE HA 1.0 1.746 3.406 148 148 A 58 GLU HA A 58 GLU HGy 1.0 1.536 2.610 149 149 A 58 GLU HGx A 58 GLU HA 1.0 1.878 4.146 150 150 A 60 ILE HG1y A 58 GLU HGx 1.0 1.912 4.414 151 151 A 56 LEU HBy A 56 LEU HA 1.0 1.765 3.493 152 152 A 56 LEU HA A 61 LEU HG 1.0 1.947 4.745 153 153 A 61 LEU HDx% A 56 LEU HA 1.0 1.950 4.782 154 154 A 56 LEU HA A 56 LEU HBx 1.0 1.798 3.658 155 155 A 56 LEU HBy A 56 LEU HBx 1.0 1.674 3.098 156 156 A 56 LEU HBx A 56 LEU HDx% 1.0 1.908 4.378 157 157 A 77 TYR HDx A 37 GLY HAy 1.0 1.890 4.232 158 158 A 52 ARG HBx A 52 ARG HDy 1.0 1.368 2.136 159 159 A 52 ARG HBy A 52 ARG HDy 1.0 1.792 3.628 160 160 A 50 SER HBx A 52 ARG HDy 1.0 1.977 5.157 161 161 A 51 MET HA A 51 MET HBx 1.0 1.542 2.630 162 162 A 50 SER HA A 50 SER HBy 1.0 1.820 3.778 163 163 A 48 SER HBy A 47 VAL HGy% 1.0 1.450 2.356 164 164 A 45 ASN HBx A 49 GLN HBx 1.0 1.919 4.471 165 165 A 45 ASN HBx A 49 GLN HGx 1.0 1.911 4.405 166 166 A 45 ASN HBx A 49 GLN HBy 1.0 1.940 4.668 167 167 A 49 GLN HGx A 45 ASN HA 1.0 1.936 4.634 168 168 A 42 ARG HA A 42 ARG HBx 1.0 1.877 4.143 169 169 A 42 ARG HA A 42 ARG HBy 1.0 1.900 4.306 170 170 A 42 ARG HDx A 42 ARG HBy 1.0 1.903 4.335 171 171 A 42 ARG HDx A 42 ARG HBx 1.0 1.885 4.195 172 172 A 42 ARG HA A 42 ARG HDy 1.0 1.937 4.645 173 173 A 42 ARG HBy A 42 ARG HDy 1.0 1.715 3.265 174 174 A 74 VAL HGx% A 42 ARG HDy 1.0 1.714 9.314 175 175 A 42 ARG HDx A 74 VAL HGx% 1.0 1.497 2.491 176 176 A 42 ARG HA A 42 ARG HGy 1.0 1.922 4.500 177 177 A 42 ARG HDx A 42 ARG HGy 1.0 1.564 2.702 178 178 A 42 ARG HGy A 42 ARG HDy 1.0 1.931 4.585 179 179 A 42 ARG HDx A 42 ARG HGx 1.0 1.654 3.018 180 180 A 42 ARG HGx A 42 ARG HDy 1.0 0.000 19.419 181 181 A 41 LEU HBy A 41 LEU HG 1.0 1.662 3.050 182 182 A 41 LEU HBx A 41 LEU HDx% 1.0 1.922 4.494 183 183 A 41 LEU HBy A 41 LEU HDx% 1.0 1.916 4.446 184 184 A 41 LEU HDy% A 41 LEU HBy 1.0 1.902 4.326 185 185 A 41 LEU HBx A 41 LEU HBy 1.0 1.602 2.830 186 186 A 41 LEU HDy% A 41 LEU HBx 1.0 1.863 4.043 187 187 A 41 LEU HA A 41 LEU HDx% 1.0 1.487 2.461 188 188 A 41 LEU HDx% A 42 ARG H 1.0 1.857 4.005 189 189 A 32 THR HG2% A 32 THR HB 1.0 1.503 2.509 190 190 A 32 THR HG2% A 32 THR HA 1.0 1.615 2.875 191 191 A 31 VAL HB A 32 THR HG2% 1.0 1.729 3.325 192 192 A 77 TYR HEx A 9 GLU HGx 1.0 1.898 4.294 193 193 A 77 TYR HEx A 9 GLU HGy 1.0 1.841 3.901 194 194 A 9 GLU HA A 9 GLU HGy 1.0 1.717 3.271 195 195 A 9 GLU HA A 9 GLU HGx 1.0 1.914 4.430 196 196 A 77 TYR HEx A 77 TYR HDx 1.0 1.543 2.631 197 197 A 77 TYR HA A 77 TYR HDx 1.0 1.828 3.828 198 198 A 77 TYR HDx A 38 ALA HA 1.0 1.907 4.363 199 199 A 77 TYR HBx A 77 TYR HDx 1.0 1.792 3.632 200 200 A 47 VAL HGy% A 48 SER HA 1.0 1.779 3.561 201 201 A 6 ARG HBx A 6 ARG HGy 1.0 1.527 2.581 202 202 A 17 GLU HGy A 6 ARG HDx 1.0 1.810 3.722 203 203 A 6 ARG HDy A 6 ARG HA 1.0 2.000 5.976 204 204 A 6 ARG HDx A 6 ARG HA 1.0 1.950 4.784 205 205 A 72 VAL HA A 6 ARG HDy 1.0 1.766 3.496 206 206 A 17 GLU HGy A 6 ARG HDy 1.0 1.940 4.676 207 207 A 6 ARG HBx A 6 ARG HDx 1.0 1.771 3.521 208 208 A 6 ARG HBx A 6 ARG HDy 1.0 1.532 2.600 209 209 A 6 ARG HDx A 17 GLU H 1.0 1.969 5.037 210 210 A 6 ARG HDy A 17 GLU H 1.0 1.991 5.465 211 211 A 7 VAL HA A 73 TYR HA 1.0 1.954 4.832 212 212 A 5 ILE HD1% A 7 VAL HGx% 1.0 1.947 4.749 213 213 A 7 VAL HGy% A 73 TYR HBy 1.0 1.763 3.483 214 214 A 8 THR HB A 16 ILE HD1% 1.0 1.629 2.927 215 215 A 8 THR HG2% A 8 THR H 1.0 1.823 3.795 216 216 A 8 THR HG2% A 16 ILE H 1.0 1.970 5.054 217 217 A 13 ASP H A 8 THR HG2% 1.0 1.871 4.093 218 218 A 8 THR HG2% A 8 THR HA 1.0 1.838 3.888 219 219 A 8 THR HB A 8 THR HG2% 1.0 1.339 2.061 220 220 A 9 GLU HA A 74 VAL HA 1.0 1.973 5.095 221 221 A 9 GLU HBx A 13 ASP HBx 1.0 1.960 4.910 222 222 A 11 GLU HA A 12 ASN HA 1.0 1.949 4.769 223 223 A 11 GLU HA A 11 GLU HGy 1.0 1.618 2.884 224 224 A 74 VAL HGy% A 11 GLU HGy 1.0 1.675 3.103 225 225 A 12 ASN HBx A 12 ASN HA 1.0 1.558 2.684 226 226 A 61 LEU HA A 61 LEU HG 1.0 1.740 3.376 227 227 A 72 VAL HA A 71 LEU HBx 1.0 1.907 4.371 228 228 A 20 SER HBy A 20 SER HA 1.0 1.773 3.535 229 229 A 21 GLU HBy A 20 SER HBy 1.0 1.914 4.422 230 230 A 20 SER HA A 20 SER HBx 1.0 1.622 2.900 231 231 A 20 SER HBy A 20 SER HBx 1.0 1.694 3.178 232 232 A 20 SER HBx A 20 SER H 1.0 1.925 4.527 233 233 A 20 SER HBy A 20 SER H 1.0 1.901 4.325 234 234 A 20 SER HBy A 24 GLY HAy 1.0 1.997 5.703 235 235 A 3 GLU HGy A 3 GLU HBy 1.0 1.406 2.232 236 236 A 3 GLU HBy A 3 GLU HA 1.0 1.630 2.930 237 237 A 18 ILE HB A 18 ILE HG1y 1.0 1.593 2.797 238 238 A 18 ILE HB A 18 ILE HG2% 1.0 1.595 2.803 239 239 A 18 ILE HB A 18 ILE HD1% 1.0 1.731 3.335 240 240 A 5 ILE HA A 5 ILE HD1% 1.0 1.792 8.794 241 241 A 5 ILE HG2% A 5 ILE HD1% 1.0 1.615 2.877 242 242 A 5 ILE HG2% A 5 ILE HB 1.0 1.684 3.134 243 243 A 5 ILE HG2% A 5 ILE H 1.0 1.901 4.315 244 244 A 72 VAL HA A 6 ARG HDx 1.0 1.918 4.468 245 245 A 6 ARG HGy A 6 ARG HDx 1.0 1.673 3.093 246 246 A 6 ARG HGy A 6 ARG HDy 1.0 1.631 2.931 247 247 A 71 LEU HA A 6 ARG HBy 1.0 1.801 3.675 248 248 A 8 THR HB A 8 THR HA 1.0 1.819 3.773 249 249 A 8 THR HB A 15 PRO HDx 1.0 1.882 4.176 250 250 A 8 THR HG2% A 15 PRO HA 1.0 1.424 2.282 251 251 A 9 GLU HBy A 13 ASP HBx 1.0 1.902 4.332 252 252 A 10 ASP HBy A 10 ASP HA 1.0 1.689 3.159 253 253 A 10 ASP HBx A 10 ASP HA 1.0 1.726 3.314 254 254 A 12 ASN HBx A 12 ASN HBy 1.0 1.379 2.163 255 255 A 13 ASP HBy A 14 GLU HBx 1.0 1.894 4.262 256 256 A 16 ILE H A 15 PRO HGx 1.0 1.908 4.380 257 257 A 8 THR HG2% A 15 PRO HGy 1.0 1.617 2.883 258 258 A 15 PRO HDy A 15 PRO HGy 1.0 1.719 3.285 259 259 A 15 PRO HA A 15 PRO HGx 1.0 1.792 3.628 260 260 A 16 ILE HA A 15 PRO HGx 1.0 1.959 4.901 261 261 A 15 PRO HGx A 15 PRO HBy 1.0 1.386 2.182 262 262 A 15 PRO HGy A 15 PRO HBy 1.0 1.490 2.470 263 263 A 16 ILE HB A 16 ILE HG1y 1.0 1.599 2.819 264 264 A 8 THR HB A 16 ILE HG2% 1.0 1.885 4.201 265 265 A 17 GLU HA A 4 TYR HEx 1.0 1.640 2.966 266 266 A 17 GLU HBx A 17 GLU HBy 1.0 1.349 2.087 267 267 A 21 GLU HA A 21 GLU HGy 1.0 1.666 3.064 268 268 A 22 ASP HBy A 22 ASP HA 1.0 1.559 2.683 269 269 A 25 THR HG2% A 25 THR HB 1.0 1.469 2.409 270 270 A 21 GLU HBy A 25 THR HG2% 1.0 1.499 2.495 271 271 A 26 VAL HGx% A 26 VAL HB 1.0 1.886 4.204 272 272 A 26 VAL HGx% A 26 VAL HGy% 1.0 1.629 2.927 273 273 A 26 VAL HB A 26 VAL HGy% 1.0 1.642 2.974 274 274 A 25 THR HA A 26 VAL HGy% 1.0 1.964 4.964 275 275 A 26 VAL HA A 26 VAL HGy% 1.0 1.705 3.221 276 276 A 25 THR HA A 26 VAL HGx% 1.0 1.891 4.239 277 277 A 27 LEU HBx A 27 LEU HDx% 1.0 1.789 3.615 278 278 A 28 LEU HBy A 28 LEU HBx 1.0 1.445 2.343 279 279 A 28 LEU HBy A 28 LEU HDx% 1.0 1.677 3.107 280 280 A 28 LEU HBy A 28 LEU HG 1.0 1.638 2.956 281 281 A 28 LEU HBx A 28 LEU HG 1.0 1.658 3.032 282 282 A 28 LEU HBx A 28 LEU HDy% 1.0 1.796 3.648 283 283 A 28 LEU HBy A 28 LEU HDy% 1.0 1.766 3.500 284 284 A 28 LEU HBy A 31 VAL H 1.0 1.997 5.715 285 285 A 28 LEU HBx A 30 THR H 1.0 1.947 4.755 286 286 A 29 SER HA A 32 THR HG2% 1.0 1.830 3.834 287 287 A 29 SER HA A 28 LEU HG 1.0 1.657 3.029 288 288 A 30 THR HA A 30 THR HB 1.0 1.600 2.824 289 289 A 30 THR HB A 30 THR HG2% 1.0 1.647 2.993 290 290 A 31 VAL HA A 30 THR HB 1.0 1.951 4.799 291 291 A 27 LEU HDx% A 30 THR HB 1.0 1.688 3.150 292 292 A 30 THR HB A 27 LEU HDy% 1.0 1.838 3.888 293 293 A 27 LEU HDx% A 30 THR HA 1.0 1.879 4.153 294 294 A 30 THR HG2% A 27 LEU HDy% 1.0 1.787 3.607 295 295 A 27 LEU HDx% A 30 THR HG2% 1.0 1.612 2.866 296 296 A 27 LEU HBx A 30 THR HG2% 1.0 1.615 2.875 297 297 A 31 VAL HA A 30 THR HG2% 1.0 1.798 3.658 298 298 A 30 THR HA A 30 THR HG2% 1.0 1.656 3.024 299 299 A 31 VAL H A 30 THR HG2% 1.0 1.902 4.328 300 300 A 31 VAL HA A 31 VAL H 1.0 1.906 4.360 301 301 A 32 THR HB A 32 THR H 1.0 1.996 6.326 302 302 A 32 THR HB A 32 THR HA 1.0 1.729 3.325 303 303 A 32 THR HG2% A 38 ALA HA 1.0 1.669 3.077 304 304 A 32 THR HG2% A 36 PRO HDx 1.0 1.998 5.738 305 305 A 32 THR HG2% A 38 ALA H 1.0 1.966 4.984 306 306 A 36 PRO HDx A 36 PRO HDy 1.0 1.717 3.273 307 307 A 36 PRO HDy A 36 PRO HA 1.0 1.801 3.671 308 308 A 46 PRO HA A 46 PRO HBy 1.0 1.923 4.509 309 309 A 36 PRO HDy A 36 PRO HGx 1.0 1.866 4.068 310 310 A 36 PRO HA A 36 PRO HGx 1.0 1.939 4.661 311 311 A 36 PRO HA A 36 PRO HGy 1.0 1.866 4.068 312 312 A 36 PRO HDy A 36 PRO HGy 1.0 1.860 4.020 313 313 A 36 PRO HDx A 36 PRO HBy 1.0 1.863 4.043 314 314 A 36 PRO HDx A 36 PRO HGx 1.0 1.689 3.159 315 315 A 36 PRO HDy A 36 PRO HBy 1.0 1.869 4.085 316 316 A 36 PRO HDx A 36 PRO HGy 1.0 1.810 3.722 317 317 A 77 TYR HBx A 38 ALA HA 1.0 1.915 4.435 318 318 A 38 ALA H A 38 ALA HB% 1.0 1.889 4.225 319 319 A 77 TYR HEx A 38 ALA HB% 1.0 1.863 4.043 320 320 A 77 TYR HDx A 38 ALA HB% 1.0 1.890 4.236 321 321 A 77 TYR HA A 38 ALA HB% 1.0 1.798 3.658 322 322 A 38 ALA HA A 38 ALA HB% 1.0 1.655 3.021 323 323 A 36 PRO HGy A 38 ALA HB% 1.0 1.916 4.440 324 324 A 39 SER HBx A 39 SER HA 1.0 1.609 2.853 325 325 A 41 LEU HA A 41 LEU HBy 1.0 1.635 2.947 326 326 A 52 ARG HBx A 52 ARG HDx 1.0 1.550 2.654 327 327 A 53 GLY HAy A 41 LEU HG 1.0 1.862 4.036 328 328 A 73 TYR HDx A 41 LEU HG 1.0 1.928 4.548 329 329 A 42 ARG HDx A 42 ARG HDy 1.0 1.277 1.915 330 330 A 73 TYR HBx A 43 TYR HBy 1.0 1.732 3.338 331 331 A 43 TYR HBx A 43 TYR HBy 1.0 1.777 3.549 332 332 A 43 TYR HBx A 43 TYR HA 1.0 1.824 3.800 333 333 A 43 TYR HBy A 43 TYR HA 1.0 1.811 3.727 334 334 A 73 TYR HA A 43 TYR HBy 1.0 1.936 4.636 335 335 A 43 TYR HBx A 73 TYR HDx 1.0 1.865 4.059 336 336 A 74 VAL HB A 43 TYR HBy 1.0 1.880 4.162 337 337 A 46 PRO HDx A 46 PRO HDy 1.0 1.730 3.328 338 338 A 46 PRO HA A 46 PRO HDy 1.0 1.796 3.648 339 339 A 46 PRO HA A 46 PRO HDx 1.0 1.820 3.778 340 340 A 46 PRO HDy A 46 PRO HGy 1.0 1.808 3.712 341 341 A 46 PRO HDx A 46 PRO HGy 1.0 1.724 3.304 342 342 A 46 PRO HA A 46 PRO HGy 1.0 1.741 3.381 343 343 A 48 SER HBy A 48 SER HBx 1.0 1.596 2.810 344 344 A 50 SER HBx A 52 ARG HBx 1.0 1.738 3.364 345 345 A 48 SER HA A 48 SER HBx 1.0 1.701 3.209 346 346 A 49 GLN HGy A 45 ASN HA 1.0 1.985 5.339 347 347 A 58 GLU HA A 58 GLU HBy 1.0 1.584 2.768 348 348 A 49 GLN HA A 47 VAL HGx% 1.0 1.918 4.462 349 349 A 49 GLN HBx A 49 GLN HBy 1.0 1.621 2.895 350 350 A 51 MET HBy A 42 ARG HDy 1.0 1.703 3.217 351 351 A 51 MET HBx A 42 ARG HDy 1.0 1.855 3.991 352 352 A 51 MET HBy A 51 MET HBx 1.0 1.522 2.568 353 353 A 43 TYR HEx A 52 ARG HDy 1.0 1.836 3.870 354 354 A 52 ARG HBx A 52 ARG HA 1.0 1.734 3.348 355 355 A 43 TYR HEx A 52 ARG HGy 1.0 1.864 4.052 356 356 A 77 TYR HEx A 37 GLY HAy 1.0 1.805 3.699 357 357 A 53 GLY HAy A 52 ARG HGy 1.0 1.794 3.640 358 358 A 54 VAL HA A 54 VAL HGy% 1.0 1.688 3.154 359 359 A 54 VAL HA A 54 VAL HB 1.0 1.827 3.823 360 360 A 41 LEU HBy A 54 VAL HA 1.0 1.851 3.969 361 361 A 41 LEU HDy% A 54 VAL HB 1.0 1.862 4.036 362 362 A 54 VAL HB A 54 VAL HGx% 1.0 1.553 2.667 363 363 A 54 VAL HA A 54 VAL HGx% 1.0 1.625 2.911 364 364 A 42 ARG HA A 54 VAL HGx% 1.0 1.730 9.214 365 365 A 55 ARG HDy A 55 ARG HDx 1.0 1.440 2.328 366 366 A 55 ARG HA A 55 ARG HDy 1.0 1.896 4.276 367 367 A 55 ARG HA A 55 ARG HDx 1.0 1.812 3.732 368 368 A 55 ARG HBx A 55 ARG HDx 1.0 1.502 2.504 369 369 A 55 ARG HBx A 55 ARG HDy 1.0 1.519 2.557 370 370 A 55 ARG HBx A 55 ARG HGy 1.0 1.669 3.079 371 371 A 55 ARG HBy A 55 ARG HGy 1.0 1.625 2.911 372 372 A 55 ARG HDy A 55 ARG HGy 1.0 1.692 3.170 373 373 A 55 ARG HDx A 55 ARG HGy 1.0 1.775 3.541 374 374 A 56 LEU HBy A 56 LEU HG 1.0 1.570 2.720 375 375 A 56 LEU HBy A 56 LEU HDx% 1.0 1.871 4.093 376 376 A 56 LEU HBy A 56 LEU HDy% 1.0 1.791 3.619 377 377 A 57 VAL HA A 57 VAL HB 1.0 1.759 3.463 378 378 A 60 ILE HG1y A 57 VAL HB 1.0 1.792 3.628 379 379 A 57 VAL HGx% A 57 VAL HA 1.0 1.567 2.709 380 380 A 57 VAL HB A 57 VAL HGy% 1.0 1.502 2.504 381 381 A 60 ILE HG1y A 58 GLU HBx 1.0 1.798 3.658 382 382 A 58 GLU HBy A 58 GLU HBx 1.0 1.443 2.337 383 383 A 60 ILE HB A 60 ILE HG1x 1.0 1.595 2.807 384 384 A 60 ILE HG1y A 60 ILE HG1x 1.0 1.645 2.985 385 385 A 60 ILE HG1x A 60 ILE HD1% 1.0 1.513 2.537 386 386 A 60 ILE HD1% A 57 VAL HB 1.0 1.645 2.983 387 387 A 61 LEU HDx% A 56 LEU HBx 1.0 1.780 3.564 388 388 A 55 ARG HBx A 62 HIS HA 1.0 1.795 8.769 389 389 A 64 PRO HDx A 64 PRO HDy 1.0 1.689 3.157 390 390 A 64 PRO HDy A 64 PRO HGy 1.0 1.648 2.998 391 391 A 64 PRO HDx A 64 PRO HGy 1.0 1.738 3.370 392 392 A 64 PRO HA A 64 PRO HGy 1.0 1.985 5.323 393 393 A 64 PRO HDx A 64 PRO HBy 1.0 1.595 2.803 394 394 A 65 ASP HBx A 66 ALA HB% 1.0 1.791 3.623 395 395 A 65 ASP HBy A 66 ALA HA 1.0 1.966 4.984 396 396 A 67 GLY HAy A 66 ALA HB% 1.0 1.928 4.550 397 397 A 68 TRP HE3 A 68 TRP HBx 1.0 1.911 4.405 398 398 A 68 TRP HE3 A 68 TRP HBy 1.0 1.882 4.172 399 399 A 70 ASN HBx A 70 ASN HA 1.0 1.784 3.588 400 400 A 70 ASN HA A 6 ARG HBy 1.0 1.842 3.908 401 401 A 5 ILE HB A 70 ASN HA 1.0 1.821 3.789 402 402 A 70 ASN HBy A 69 GLY HAx 1.0 1.910 4.400 403 403 A 70 ASN HBy A 6 ARG HA 1.0 1.912 4.414 404 404 A 5 ILE HB A 70 ASN HBx 1.0 1.891 4.241 405 405 A 5 ILE HB A 70 ASN HBy 1.0 1.841 3.901 406 406 A 71 LEU HBx A 71 LEU HG 1.0 1.604 2.834 407 407 A 72 VAL HB A 6 ARG HDy 1.0 1.717 3.273 408 408 A 72 VAL HGx% A 71 LEU HA 1.0 1.705 3.219 409 409 A 73 TYR HBx A 43 TYR HA 1.0 1.937 4.641 410 410 A 73 TYR HBx A 73 TYR HA 1.0 1.847 3.941 411 411 A 73 TYR HBx A 73 TYR HDx 1.0 1.952 4.816 412 412 A 73 TYR HDy A 73 TYR HBx 1.0 1.794 3.640 413 413 A 75 VAL HGx% A 75 VAL HA 1.0 1.647 2.991 414 414 A 75 VAL HB A 75 VAL H 1.0 1.883 4.181 415 415 A 9 GLU HBy A 75 VAL HB 1.0 1.521 2.563 416 416 A 75 VAL HB A 75 VAL HGy% 1.0 1.435 2.311 417 417 A 9 GLU HGx A 75 VAL HB 1.0 1.757 3.451 418 418 A 40 GLY HAy A 76 ASN HBx 1.0 1.900 4.310 419 419 A 40 GLY HAy A 76 ASN HBy 1.0 1.951 4.795 420 420 A 76 ASN HBx A 42 ARG HGy 1.0 1.834 3.864 421 421 A 26 VAL HGy% A 26 VAL H 1.0 1.882 4.174 422 422 A 26 VAL HGy% A 61 LEU H 1.0 1.928 4.550 423 423 A 32 THR HB A 38 ALA HB% 1.0 1.748 3.412 424 424 A 77 TYR HBx A 39 SER HBx 1.0 1.703 3.213 425 425 A 39 SER HA A 39 SER HBy 1.0 1.581 2.759 426 426 A 33 ALA HA A 34 GLN HBx 1.0 1.931 4.581 427 427 A 34 GLN HGy A 34 GLN HGx 1.0 1.474 2.422 428 428 A 32 THR HA A 34 GLN HGx 1.0 1.727 3.319 429 429 A 31 VAL HA A 34 GLN HGx 1.0 1.910 4.392 430 430 A 38 ALA HA A 34 GLN HGx 1.0 1.916 4.442 431 431 A 36 PRO HA A 34 GLN HGy 1.0 1.797 3.653 432 432 A 34 GLN HGx A 34 GLN HBy 1.0 1.542 2.632 433 433 A 34 GLN HBx A 34 GLN HBy 1.0 1.293 1.951 434 434 A 34 GLN HBx A 34 GLN HGx 1.0 1.509 2.527 435 435 A 34 GLN HBy A 35 PHE HBy 1.0 1.808 3.712 436 436 A 36 PRO HDx A 34 GLN HBy 1.0 1.787 3.599 437 437 A 34 GLN HBy A 34 GLN HA 1.0 1.736 3.356 438 438 A 31 VAL HA A 32 THR HG2% 1.0 1.964 4.964 439 439 A 31 VAL HB A 31 VAL HGx% 1.0 1.533 2.599 440 440 A 38 ALA H A 37 GLY H 1.0 1.801 3.675 441 441 A 37 GLY HAy A 38 ALA H 1.0 1.800 3.670 442 442 A 42 ARG HA A 43 TYR H 1.0 1.751 3.427 443 443 A 43 TYR HBx A 43 TYR H 1.0 1.873 4.113 444 444 A 47 VAL HB A 48 SER H 1.0 1.713 3.255 445 445 A 47 VAL HGx% A 48 SER H 1.0 1.783 3.581 446 446 A 47 VAL HA A 48 SER H 1.0 1.806 3.700 447 447 A 52 ARG HBy A 52 ARG H 1.0 1.841 3.901 448 448 A 52 ARG HBx A 52 ARG H 1.0 1.857 4.003 449 449 A 51 MET HBx A 52 ARG H 1.0 1.945 4.725 450 450 A 55 ARG HA A 55 ARG H 1.0 1.823 3.797 451 451 A 55 ARG HDy A 55 ARG H 1.0 1.925 4.527 452 452 A 55 ARG HBx A 55 ARG H 1.0 1.726 3.316 453 453 A 54 VAL HB A 55 ARG H 1.0 1.924 4.516 454 454 A 55 ARG HBy A 55 ARG H 1.0 1.829 3.827 455 455 A 55 ARG HGy A 55 ARG H 1.0 1.714 3.260 456 456 A 58 GLU HA A 58 GLU H 1.0 1.640 2.968 457 457 A 57 VAL HA A 58 GLU H 1.0 1.647 2.995 458 458 A 58 GLU HGx A 58 GLU H 1.0 1.696 3.184 459 459 A 58 GLU HBx A 58 GLU H 1.0 1.808 3.710 460 460 A 60 ILE HA A 61 LEU H 1.0 1.732 3.338 461 461 A 66 ALA HA A 66 ALA H 1.0 1.637 2.955 462 462 A 68 TRP HBx A 68 TRP H 1.0 1.647 2.995 463 463 A 68 TRP HBy A 68 TRP H 1.0 1.714 3.262 464 464 A 67 GLY HAy A 68 TRP H 1.0 1.801 3.679 465 465 A 52 ARG H A 51 MET H 1.0 1.878 4.144 466 466 A 5 ILE HB A 5 ILE H 1.0 1.815 3.753 467 467 A 5 ILE H A 5 ILE HG1y 1.0 1.888 4.218 468 468 A 5 ILE HD1% A 5 ILE H 1.0 1.917 4.455 469 469 A 5 ILE H A 4 TYR HEx 1.0 1.953 4.827 470 470 A 5 ILE H A 4 TYR H 1.0 1.953 4.827 471 471 A 6 ARG HBy A 6 ARG H 1.0 1.831 3.841 472 472 A 5 ILE HA A 6 ARG H 1.0 1.827 3.817 473 473 A 7 VAL H A 16 ILE HG1x 1.0 1.389 2.189 474 474 A 73 TYR HDy A 7 VAL H 1.0 1.919 4.475 475 475 A 7 VAL HA A 8 THR H 1.0 1.670 3.082 476 476 A 8 THR H A 8 THR HA 1.0 1.892 4.248 477 477 A 8 THR HB A 8 THR H 1.0 1.910 4.394 478 478 A 7 VAL HB A 8 THR H 1.0 1.818 3.764 479 479 A 8 THR HB A 9 GLU H 1.0 1.875 4.125 480 480 A 13 ASP HBx A 9 GLU H 1.0 1.798 3.662 481 481 A 9 GLU HBx A 9 GLU H 1.0 1.695 3.181 482 482 A 8 THR HA A 9 GLU H 1.0 1.717 3.271 483 483 A 9 GLU HA A 9 GLU H 1.0 1.766 3.494 484 484 A 8 THR HA A 10 ASP H 1.0 1.890 4.236 485 485 A 10 ASP HA A 10 ASP H 1.0 1.792 3.628 486 486 A 9 GLU HA A 10 ASP H 1.0 1.834 3.860 487 487 A 8 THR HB A 10 ASP H 1.0 1.945 4.725 488 488 A 10 ASP HBx A 10 ASP H 1.0 1.713 3.257 489 489 A 9 GLU HBx A 10 ASP H 1.0 1.723 3.297 490 490 A 9 GLU H A 10 ASP H 1.0 1.732 3.340 491 491 A 10 ASP HBy A 10 ASP H 1.0 1.771 3.525 492 492 A 12 ASN HA A 12 ASN H 1.0 1.743 3.391 493 493 A 11 GLU HA A 12 ASN H 1.0 1.831 3.845 494 494 A 12 ASN HBx A 12 ASN H 1.0 1.660 3.044 495 495 A 12 ASN HBy A 12 ASN H 1.0 1.649 2.999 496 496 A 11 GLU HBx A 12 ASN H 1.0 1.793 3.633 497 497 A 11 GLU HGy A 12 ASN H 1.0 1.873 4.107 498 498 A 13 ASP H A 13 ASP HBx 1.0 1.546 2.642 499 499 A 13 ASP H A 12 ASN HA 1.0 1.723 3.299 500 500 A 13 ASP H A 12 ASN H 1.0 1.617 2.879 501 501 A 13 ASP H A 11 GLU HA 1.0 1.918 4.460 502 502 A 13 ASP HBx A 14 GLU H 1.0 1.555 2.671 503 503 A 14 GLU HBx A 14 GLU H 1.0 1.542 2.630 504 504 A 14 GLU HA A 14 GLU H 1.0 1.990 5.438 505 505 A 15 PRO HDx A 14 GLU H 1.0 1.950 4.782 506 506 A 15 PRO HDy A 14 GLU H 1.0 1.970 5.056 507 507 A 13 ASP H A 14 GLU H 1.0 1.867 4.071 508 508 A 24 GLY HAy A 25 THR H 1.0 1.737 3.363 509 509 A 17 GLU HBy A 20 SER H 1.0 1.722 9.262 510 510 A 25 THR HG2% A 25 THR H 1.0 1.746 3.402 511 511 A 23 ASP HA A 25 THR H 1.0 1.958 7.202 512 512 A 21 GLU HA A 21 GLU H 1.0 1.867 4.071 513 513 A 20 SER HBx A 21 GLU H 1.0 1.844 3.922 514 514 A 20 SER HBy A 21 GLU H 1.0 1.909 4.385 515 515 A 21 GLU HBy A 21 GLU H 1.0 1.686 3.146 516 516 A 25 THR HG2% A 21 GLU H 1.0 1.949 4.767 517 517 A 22 ASP H A 22 ASP HBx 1.0 1.651 3.009 518 518 A 21 GLU HA A 22 ASP H 1.0 1.546 2.642 519 519 A 21 GLU HA A 23 ASP H 1.0 1.795 3.647 520 520 A 24 GLY HAy A 23 ASP H 1.0 1.924 4.516 521 521 A 23 ASP HBx A 23 ASP H 1.0 1.782 3.578 522 522 A 22 ASP HBx A 23 ASP H 1.0 1.636 2.950 523 523 A 21 GLU HBy A 23 ASP H 1.0 1.709 3.241 524 524 A 25 THR HG2% A 23 ASP H 1.0 1.968 5.026 525 525 A 22 ASP H A 23 ASP H 1.0 1.817 3.761 526 526 A 23 ASP H A 24 GLY H 1.0 1.779 3.563 527 527 A 24 GLY HAy A 24 GLY H 1.0 1.691 3.165 528 528 A 23 ASP HBx A 24 GLY H 1.0 1.941 4.679 529 529 A 22 ASP HBx A 24 GLY H 1.0 1.880 4.164 530 530 A 21 GLU HBy A 24 GLY H 1.0 1.859 4.017 531 531 A 67 GLY HAy A 67 GLY H 1.0 1.659 3.039 532 532 A 65 ASP HBy A 67 GLY H 1.0 1.919 4.469 533 533 A 66 ALA HB% A 67 GLY H 1.0 1.837 3.879 534 534 A 68 TRP H A 67 GLY H 1.0 1.835 3.871 535 535 A 26 VAL HB A 26 VAL H 1.0 1.748 3.412 536 536 A 25 THR HG2% A 26 VAL H 1.0 1.732 3.342 537 537 A 26 VAL HGx% A 26 VAL H 1.0 1.847 3.943 538 538 A 26 VAL HGx% A 27 LEU H 1.0 1.929 4.559 539 539 A 27 LEU H A 27 LEU HA 1.0 1.846 3.936 540 540 A 61 LEU H A 28 LEU H 1.0 1.932 4.592 541 541 A 28 LEU HBx A 28 LEU H 1.0 1.727 3.321 542 542 A 27 LEU HA A 29 SER H 1.0 1.838 3.886 543 543 A 29 SER HBy A 29 SER H 1.0 1.821 3.785 544 544 A 28 LEU HBx A 29 SER H 1.0 1.731 3.333 545 545 A 32 THR HG2% A 29 SER H 1.0 1.868 4.080 546 546 A 28 LEU HG A 29 SER H 1.0 1.880 4.160 547 547 A 30 THR H A 30 THR HB 1.0 1.820 3.780 548 548 A 30 THR H A 30 THR HA 1.0 1.785 3.591 549 549 A 31 VAL HB A 30 THR H 1.0 1.933 4.605 550 550 A 30 THR H A 30 THR HG2% 1.0 1.827 3.817 551 551 A 27 LEU HDx% A 30 THR H 1.0 1.748 3.410 552 552 A 30 THR H A 29 SER H 1.0 1.832 3.850 553 553 A 32 THR HG2% A 32 THR H 1.0 1.720 3.288 554 554 A 32 THR HA A 32 THR H 1.0 1.757 3.457 555 555 A 31 VAL HB A 32 THR H 1.0 1.781 3.571 556 556 A 32 THR H A 33 ALA H 1.0 1.720 3.290 557 557 A 33 ALA HA A 33 ALA H 1.0 1.669 3.075 558 558 A 31 VAL HA A 33 ALA H 1.0 1.933 7.527 559 559 A 33 ALA HB% A 33 ALA H 1.0 1.559 2.683 560 560 A 5 ILE H A 18 ILE H 1.0 1.940 4.672 561 561 A 37 GLY HAy A 37 GLY H 1.0 1.708 3.236 562 562 A 36 PRO HGy A 37 GLY H 1.0 1.816 3.758 563 563 A 38 ALA HB% A 39 SER H 1.0 1.711 3.251 564 564 A 40 GLY HAy A 39 SER H 1.0 1.811 3.731 565 565 A 39 SER HA A 39 SER H 1.0 1.796 3.648 566 566 A 39 SER H A 40 GLY H 1.0 1.512 2.536 567 567 A 39 SER HA A 40 GLY H 1.0 1.875 4.123 568 568 A 40 GLY HAy A 40 GLY H 1.0 1.758 3.458 569 569 A 76 ASN HBy A 40 GLY H 1.0 1.929 4.565 570 570 A 41 LEU HDy% A 40 GLY H 1.0 1.896 4.282 571 571 A 40 GLY H A 41 LEU H 1.0 1.942 4.692 572 572 A 41 LEU HA A 41 LEU H 1.0 1.916 4.450 573 573 A 40 GLY HAy A 41 LEU H 1.0 1.746 3.406 574 574 A 41 LEU HBy A 41 LEU H 1.0 1.696 3.186 575 575 A 41 LEU HDy% A 41 LEU H 1.0 1.829 3.831 576 576 A 11 GLU HA A 11 GLU H 1.0 1.754 3.440 577 577 A 10 ASP HBx A 11 GLU H 1.0 1.568 2.716 578 578 A 43 TYR H A 43 TYR HDx 1.0 1.967 5.007 579 579 A 43 TYR HEx A 43 TYR H 1.0 1.923 4.505 580 580 A 42 ARG H A 43 TYR H 1.0 1.960 4.908 581 581 A 47 VAL HA A 47 VAL H 1.0 1.673 3.093 582 582 A 48 SER H A 47 VAL H 1.0 1.716 3.270 583 583 A 47 VAL HGx% A 47 VAL H 1.0 1.632 2.938 584 584 A 50 SER H A 49 GLN H 1.0 1.749 3.417 585 585 A 49 GLN HBx A 50 SER H 1.0 1.805 3.697 586 586 A 55 ARG HA A 56 LEU H 1.0 1.637 2.955 587 587 A 56 LEU HA A 56 LEU H 1.0 1.901 4.313 588 588 A 56 LEU HBx A 56 LEU H 1.0 1.720 3.286 589 589 A 56 LEU HDx% A 56 LEU H 1.0 1.875 4.123 590 590 A 56 LEU HDy% A 56 LEU H 1.0 1.830 3.838 591 591 A 57 VAL H A 57 VAL HGy% 1.0 1.610 2.854 592 592 A 57 VAL H A 57 VAL HA 1.0 1.842 3.908 593 593 A 57 VAL H A 56 LEU HA 1.0 1.695 3.183 594 594 A 57 VAL H A 62 HIS H 1.0 1.923 4.505 595 595 A 57 VAL H A 58 GLU H 1.0 1.944 4.712 596 596 A 57 VAL HGx% A 58 GLU H 1.0 1.660 3.044 597 597 A 58 GLU H A 59 GLY H 1.0 1.846 3.936 598 598 A 58 GLU HA A 59 GLY H 1.0 1.682 3.128 599 599 A 59 GLY H A 59 GLY HAy 1.0 1.650 3.004 600 600 A 60 ILE H A 59 GLY HAy 1.0 1.880 4.158 601 601 A 57 VAL H A 60 ILE H 1.0 1.615 2.875 602 602 A 60 ILE HG1y A 61 LEU H 1.0 1.732 9.200 603 603 A 60 ILE HG2% A 61 LEU H 1.0 1.746 3.406 604 604 A 26 VAL H A 61 LEU H 1.0 1.825 3.807 605 605 A 66 ALA H A 65 ASP H 1.0 1.792 3.628 606 606 A 64 PRO HA A 65 ASP H 1.0 1.736 3.356 607 607 A 42 ARG HA A 42 ARG H 1.0 1.840 3.896 608 608 A 41 LEU HA A 42 ARG H 1.0 1.730 3.332 609 609 A 42 ARG HGy A 42 ARG H 1.0 1.805 3.697 610 610 A 74 VAL HGx% A 42 ARG H 1.0 1.759 3.461 611 611 A 41 LEU HDy% A 42 ARG H 1.0 1.858 4.014 612 612 A 10 ASP HA A 11 GLU H 1.0 1.637 2.955 613 613 A 10 ASP H A 11 GLU H 1.0 1.868 4.074 614 614 A 73 TYR HDy A 73 TYR H 1.0 1.802 3.680 615 615 A 7 VAL HA A 73 TYR H 1.0 1.884 4.190 616 616 A 72 VAL HA A 73 TYR H 1.0 1.689 3.159 617 617 A 73 TYR H A 73 TYR HA 1.0 1.924 4.510 618 618 A 73 TYR HBx A 73 TYR H 1.0 1.836 3.872 619 619 A 73 TYR H A 73 TYR HBy 1.0 1.909 4.381 620 620 A 71 LEU HBx A 73 TYR H 1.0 1.885 4.197 621 621 A 11 GLU HGy A 11 GLU H 1.0 1.669 3.075 622 622 A 10 ASP HBy A 11 GLU H 1.0 1.937 4.647 623 623 A 70 ASN H A 71 LEU H 1.0 1.769 3.513 624 624 A 69 GLY HAx A 70 ASN H 1.0 1.627 2.917 625 625 A 70 ASN HBx A 70 ASN H 1.0 1.794 3.636 626 626 A 48 SER HBy A 48 SER H 1.0 1.595 2.805 627 627 A 49 GLN HA A 49 GLN H 1.0 1.627 2.917 628 628 A 49 GLN HGx A 49 GLN H 1.0 1.789 3.611 629 629 A 47 VAL HGy% A 49 GLN H 1.0 1.998 5.710 630 630 A 48 SER H A 49 GLN H 1.0 1.728 3.324 631 631 A 49 GLN HBy A 49 GLN H 1.0 1.783 3.579 632 632 A 50 SER HBx A 51 MET H 1.0 1.868 4.078 633 633 A 51 MET HBx A 51 MET H 1.0 1.767 3.503 634 634 A 51 MET HBy A 51 MET H 1.0 1.825 3.809 635 635 A 52 ARG H A 53 GLY H 1.0 1.884 4.190 636 636 A 66 ALA HB% A 66 ALA H 1.0 1.577 2.743 637 637 A 68 TRP HE3 A 68 TRP H 1.0 1.829 3.827 638 638 A 68 TRP H A 68 TRP HA 1.0 1.964 4.960 639 639 A 69 GLY HAx A 68 TRP H 1.0 1.936 4.628 640 640 A 68 TRP H A 68 TRP HE1 1.0 1.868 4.074 641 641 A 68 TRP HE1 A 68 TRP HD1 1.0 1.728 3.322 642 642 A 71 LEU HA A 71 LEU H 1.0 1.818 3.770 643 643 A 69 GLY HAx A 71 LEU H 1.0 1.877 4.139 644 644 A 70 ASN HBx A 71 LEU H 1.0 1.896 4.278 645 645 A 71 LEU HBx A 71 LEU H 1.0 1.746 3.404 646 646 A 71 LEU HBy A 71 LEU H 1.0 1.804 3.690 647 647 A 71 LEU HDy% A 71 LEU H 1.0 1.748 3.412 648 648 A 74 VAL HGy% A 74 VAL H 1.0 1.671 3.087 649 649 A 74 VAL HB A 74 VAL H 1.0 1.726 3.310 650 650 A 42 ARG HGy A 74 VAL H 1.0 1.951 4.789 651 651 A 73 TYR HBx A 74 VAL H 1.0 1.871 4.095 652 652 A 73 TYR HBy A 74 VAL H 1.0 1.916 4.440 653 653 A 73 TYR HA A 74 VAL H 1.0 1.751 3.427 654 654 A 43 TYR HDx A 74 VAL H 1.0 1.945 4.739 655 655 A 76 ASN HBx A 76 ASN H 1.0 1.848 3.948 656 656 A 17 GLU HGy A 6 ARG HE 1.0 1.872 4.104 657 657 A 6 ARG HBx A 6 ARG HE 1.0 1.731 3.337 658 658 A 6 ARG HGy A 6 ARG HE 1.0 1.767 3.503 659 659 A 12 ASN HBy A 12 ASN HD2x 1.0 1.739 3.367 660 660 A 12 ASN HD2x A 12 ASN HD2y 1.0 1.541 2.627 661 661 A 49 GLN HGx A 49 GLN HE2x 1.0 1.813 3.741 662 662 A 34 GLN HE2y A 34 GLN HE2x 1.0 1.378 2.160 663 663 A 31 VAL HA A 34 GLN HE2x 1.0 1.932 4.592 664 664 A 70 ASN H A 70 ASN HD2y 1.0 1.978 5.182 665 665 A 70 ASN HBx A 70 ASN HD2y 1.0 1.794 3.640 666 666 A 70 ASN HBy A 70 ASN HD2y 1.0 1.798 3.662 667 667 A 76 ASN HD2x A 76 ASN HD2y 1.0 1.504 2.510 668 668 A 40 GLY HAy A 76 ASN HD2x 1.0 1.966 4.988 669 669 A 76 ASN HBx A 76 ASN HD2x 1.0 1.886 4.204 670 670 A 76 ASN HBy A 76 ASN HD2x 1.0 1.832 3.848 671 671 A 42 ARG HGx A 76 ASN HD2x 1.0 1.865 4.055 672 672 A 76 ASN HBx A 76 ASN HD2y 1.0 1.839 3.893 673 673 A 76 ASN HBy A 76 ASN HD2y 1.0 1.793 3.631 674 674 A 42 ARG HGx A 76 ASN HD2y 1.0 1.916 4.450 675 675 A 55 ARG HBx A 55 ARG HE 1.0 1.907 4.363 676 676 A 55 ARG HGy A 55 ARG HE 1.0 1.836 3.872 677 677 A 55 ARG HDy A 55 ARG HE 1.0 1.684 3.134 678 678 A 16 ILE H A 6 ARG HA 1.0 1.838 3.886 679 679 A 16 ILE H A 15 PRO HA 1.0 1.819 3.777 680 680 A 16 ILE H A 6 ARG HDx 1.0 1.818 3.768 681 681 A 4 TYR H A 4 TYR HDx 1.0 1.877 4.135 682 682 A 4 TYR HEx A 4 TYR H 1.0 1.687 9.475 683 683 A 4 TYR H A 4 TYR HBy 1.0 1.824 3.804 684 684 A 31 VAL H A 32 THR H 1.0 1.770 3.520 685 685 A 31 VAL H A 30 THR H 1.0 1.763 3.487 686 686 A 31 VAL H A 30 THR HA 1.0 1.765 3.493 687 687 A 31 VAL HB A 31 VAL H 1.0 1.744 3.392 688 688 A 55 ARG H A 56 LEU H 1.0 1.927 4.543 689 689 A 34 GLN HA A 34 GLN H 1.0 1.749 3.413 690 690 A 73 TYR H A 73 TYR HEx 1.0 1.973 5.097 691 691 A 57 VAL H A 57 VAL HB 1.0 1.929 4.565 692 692 A 56 LEU HBy A 57 VAL H 1.0 1.778 3.554 693 693 A 52 ARG HDy A 52 ARG H 1.0 1.969 5.037 694 694 A 65 ASP HA A 65 ASP H 1.0 1.765 3.493 695 695 A 68 TRP H A 68 TRP HD1 1.0 1.916 4.450 696 696 A 63 ALA HB% A 68 TRP HE1 1.0 1.996 6.332 697 697 A 42 ARG HDy A 42 ARG HE 1.0 1.918 4.460 698 698 A 42 ARG HGx A 42 ARG HE 1.0 1.725 9.239 699 699 A 12 ASN HBy A 12 ASN HD2y 1.0 1.732 3.342 700 700 A 25 THR H A 23 ASP H 1.0 1.913 4.421 701 701 A 49 GLN HGy A 50 SER H 1.0 1.934 4.610 702 702 A 31 VAL HA A 32 THR H 1.0 1.913 4.421 703 703 A 42 ARG HGx A 53 GLY H 1.0 1.944 4.718 704 704 A 52 ARG HBx A 53 GLY H 1.0 1.769 3.513 705 705 A 52 ARG HBy A 53 GLY H 1.0 1.896 4.274 706 706 A 42 ARG HA A 53 GLY H 1.0 1.952 4.812 707 707 A 53 GLY HAy A 53 GLY H 1.0 1.722 3.294 708 708 A 52 ARG HDy A 53 GLY H 1.0 1.987 5.371 709 709 A 53 GLY H A 54 VAL H 1.0 1.894 4.266 710 710 A 17 GLU HBy A 18 ILE H 1.0 1.665 3.059 711 711 A 76 ASN H A 77 TYR H 1.0 1.935 4.623 712 712 A 77 TYR HDx A 77 TYR H 1.0 1.812 3.736 713 713 A 77 TYR HEx A 77 TYR H 1.0 1.950 4.782 714 714 A 76 ASN HA A 77 TYR H 1.0 1.850 3.960 715 715 A 77 TYR HBx A 77 TYR H 1.0 1.827 3.823 716 716 A 77 TYR HBy A 77 TYR H 1.0 1.778 3.558 717 717 A 76 ASN HBy A 77 TYR H 1.0 1.861 4.033 718 718 A 71 LEU H A 72 VAL H 1.0 1.896 4.278 719 719 A 71 LEU HA A 72 VAL H 1.0 1.571 2.723 720 720 A 72 VAL HB A 72 VAL H 1.0 1.649 2.999 721 721 A 71 LEU HBx A 72 VAL H 1.0 1.754 3.438 722 722 A 71 LEU HBy A 72 VAL H 1.0 1.733 3.345 723 723 A 69 GLY HAx A 69 GLY H 1.0 1.570 2.722 724 724 A 68 TRP HBx A 69 GLY H 1.0 1.776 3.544 725 725 A 68 TRP HBy A 69 GLY H 1.0 1.774 3.538 726 726 A 68 TRP HE3 A 69 GLY H 1.0 1.963 4.951 727 727 A 67 GLY HAy A 66 ALA H 1.0 1.974 5.108 728 728 A 65 ASP HBx A 65 ASP H 1.0 1.905 4.355 729 729 A 63 ALA HB% A 63 ALA H 1.0 1.678 3.110 730 730 A 61 LEU HA A 61 LEU H 1.0 1.957 4.867 731 731 A 60 ILE HB A 61 LEU H 1.0 1.811 3.731 732 732 A 57 VAL HGy% A 58 GLU H 1.0 1.999 6.183 733 733 A 53 GLY HAy A 54 VAL H 1.0 1.816 3.756 734 734 A 54 VAL HB A 54 VAL H 1.0 1.710 3.242 735 735 A 51 MET HA A 51 MET H 1.0 1.981 5.227 736 736 A 50 SER HBy A 50 SER H 1.0 1.830 3.838 737 737 A 42 ARG HGy A 42 ARG HE 1.0 1.860 4.024 738 738 A 47 VAL HB A 47 VAL H 1.0 1.628 2.922 739 739 A 73 TYR HBx A 42 ARG H 1.0 1.948 4.760 740 740 A 60 ILE HG2% A 26 VAL H 1.0 1.740 3.376 741 741 A 50 SER HBx A 50 SER H 1.0 1.631 2.933 742 742 A 77 TYR HEx A 38 ALA H 1.0 1.874 4.116 743 743 A 77 TYR HDx A 38 ALA H 1.0 1.925 4.521 744 744 A 27 LEU HDx% A 27 LEU H 1.0 1.729 3.327 745 745 A 28 LEU HG A 28 LEU H 1.0 1.702 3.208 746 746 A 16 ILE H A 16 ILE HG1y 1.0 1.731 3.337 747 747 A 16 ILE HD1% A 16 ILE H 1.0 1.795 3.643 748 748 A 21 GLU H A 22 ASP H 1.0 1.944 4.718 749 749 A 28 LEU HDx% A 28 LEU H 1.0 1.997 6.259 750 750 A 11 GLU HBx A 11 GLU H 1.0 1.577 2.745 751 751 A 6 ARG HA A 18 ILE H 1.0 1.847 3.941 752 752 A 72 VAL HA A 6 ARG HE 1.0 1.980 5.224 753 753 A 6 ARG HDx A 6 ARG HE 1.0 1.831 3.845 754 754 A 6 ARG HDy A 6 ARG HE 1.0 1.750 3.422 755 755 A 12 ASN H A 11 GLU H 1.0 1.456 2.374 756 756 A 16 ILE H A 6 ARG HE 1.0 1.886 4.204 757 757 A 3 GLU HBy A 3 GLU H 1.0 1.455 2.369 758 758 A 3 GLU HA A 3 GLU H 1.0 1.567 2.711 759 759 A 62 HIS HA A 62 HIS H 1.0 1.849 3.955 760 760 A 71 LEU HBy A 44 ARG H 1.0 1.798 3.658 761 761 A 8 THR HB A 16 ILE H 1.0 1.748 3.408 762 762 A 4 TYR HEx A 18 ILE H 1.0 1.799 3.665 763 763 A 25 THR HG2% A 24 GLY H 1.0 1.953 4.819 764 764 A 25 THR H A 24 GLY H 1.0 1.794 3.640 765 765 A 26 VAL HGx% A 25 THR H 1.0 1.951 4.789 766 766 A 28 LEU HBy A 28 LEU H 1.0 1.736 3.356 767 767 A 28 LEU H A 59 GLY HAy 1.0 1.930 4.576 768 768 A 42 ARG HDx A 75 VAL H 1.0 1.877 4.139 769 769 A 75 VAL HA A 75 VAL H 1.0 1.680 3.122 770 770 A 38 ALA HA A 38 ALA H 1.0 1.884 4.194 771 771 A 77 TYR HDx A 39 SER H 1.0 1.910 4.394 772 772 A 38 ALA HB% A 40 GLY H 1.0 1.772 3.526 773 773 A 43 TYR HA A 44 ARG H 1.0 1.546 2.640 774 774 A 71 LEU HDy% A 44 ARG H 1.0 1.718 9.286 775 775 A 60 ILE H A 59 GLY H 1.0 1.535 2.609 776 776 A 58 GLU HA A 60 ILE H 1.0 1.905 4.351 777 777 A 60 ILE HB A 60 ILE H 1.0 1.679 3.115 778 778 A 55 ARG HDx A 62 HIS H 1.0 1.867 4.071 779 779 A 55 ARG HBx A 62 HIS H 1.0 1.555 2.671 780 780 A 65 ASP HBy A 65 ASP H 1.0 1.738 3.368 781 781 A 65 ASP HBy A 66 ALA H 1.0 1.695 3.183 782 782 A 64 PRO HDx A 67 GLY H 1.0 1.717 3.275 783 783 A 70 ASN H A 69 GLY H 1.0 1.603 2.833 784 784 A 71 LEU HG A 70 ASN H 1.0 1.911 4.399 785 785 A 71 LEU HDy% A 70 ASN H 1.0 1.890 4.236 786 786 A 73 TYR H A 8 THR H 1.0 1.879 4.155 787 787 A 40 GLY H A 76 ASN H 1.0 1.884 4.184 788 788 A 41 LEU HA A 76 ASN H 1.0 1.893 4.251 789 789 A 41 LEU HDy% A 76 ASN H 1.0 1.867 4.069 790 790 A 33 ALA H A 34 GLN HE2y 1.0 1.905 4.351 791 791 A 33 ALA H A 34 GLN HE2x 1.0 1.703 3.217 792 792 A 33 ALA HA A 34 GLN HE2x 1.0 1.729 3.327 793 793 A 49 GLN HE2x A 49 GLN HE2y 1.0 1.398 2.212 794 794 A 49 GLN HA A 49 GLN HE2y 1.0 1.950 4.782 795 795 A 49 GLN HA A 49 GLN HE2x 1.0 1.951 4.797 796 796 A 45 ASN HA A 49 GLN HE2x 1.0 1.859 4.011 797 797 A 45 ASN HA A 49 GLN HE2y 1.0 1.939 4.659 798 798 A 49 GLN HGy A 49 GLN HE2y 1.0 1.809 3.719 799 799 A 49 GLN HGx A 49 GLN HE2y 1.0 1.806 3.704 800 800 A 70 ASN HD2y A 70 ASN HD2x 1.0 1.373 2.149 801 801 A 70 ASN HBx A 70 ASN HD2x 1.0 1.718 3.276 802 802 A 70 ASN HBy A 70 ASN HD2x 1.0 1.709 3.241 803 803 A 40 GLY HAy A 76 ASN HD2y 1.0 1.961 4.917 804 804 A 73 TYR HDx A 44 ARG H 1.0 1.884 4.184 805 805 A 44 ARG H A 44 ARG HA 1.0 1.901 4.317 806 806 A 47 VAL H A 49 GLN H 1.0 1.593 2.799 807 807 A 45 ASN HBx A 49 GLN H 1.0 1.902 4.330 808 808 A 70 ASN HBy A 4 TYR H 1.0 1.844 3.924 809 809 A 60 ILE HG2% A 25 THR H 1.0 1.989 5.411 810 810 A 73 TYR HDx A 43 TYR H 1.0 1.994 5.594 811 811 A 63 ALA H A 62 HIS HBy 1.0 1.859 4.017 812 812 A 27 LEU HBx A 30 THR H 1.0 1.934 4.616 813 813 A 30 THR H A 27 LEU HBy 1.0 1.906 4.358 814 814 A 29 SER HA A 32 THR H 1.0 1.881 4.171 815 815 A 34 GLN HBx A 34 GLN H 1.0 1.911 4.403 816 816 A 38 ALA H A 39 SER H 1.0 1.851 3.963 817 817 A 32 THR HA A 34 GLN HE2x 1.0 1.924 4.510 818 818 A 33 ALA HB% A 34 GLN HE2x 1.0 1.657 3.029 819 819 A 42 ARG HDx A 42 ARG HE 1.0 1.763 3.479 820 820 A 49 GLN HGy A 49 GLN HE2x 1.0 1.716 3.272 821 821 A 52 ARG HDx A 68 TRP HE1 1.0 1.861 4.027 822 822 A 64 PRO HDy A 68 TRP HE1 1.0 1.921 4.489 823 823 A 4 TYR HEx A 70 ASN HD2x 1.0 1.432 2.306 824 824 A 4 TYR HEx A 70 ASN HD2y 1.0 1.803 3.689 825 825 A 33 ALA H A 34 GLN H 1.0 1.886 4.204 826 826 A 35 PHE H A 35 PHE HDx 1.0 1.873 4.111 827 827 A 34 GLN HA A 35 PHE H 1.0 1.549 2.651 828 828 A 35 PHE H A 35 PHE HBx 1.0 1.736 3.358 829 829 A 34 GLN H A 35 PHE HDx 1.0 1.923 4.505 stop_ save_