data_nef_c18393_2lrs 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 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 15 ASN start . . 2 A 16 ASP middle . . 3 A 17 ILE middle . . 4 A 18 CYS middle . . 5 A 19 LEU middle . . 6 A 20 ARG middle . . 7 A 21 LYS middle . . 8 A 22 ASN middle . . 9 A 23 TRP middle . . 10 A 24 PRO middle . false 11 A 25 MET middle . . 12 A 26 PRO middle . false 13 A 27 SER middle . . 14 A 28 TYR middle . . 15 A 29 ARG middle . . 16 A 30 CYS middle . . 17 A 31 VAL middle . . 18 A 32 LYS middle . . 19 A 33 GLU middle . . 20 A 34 GLY middle . false 21 A 35 GLY middle . false 22 A 36 PRO middle . false 23 A 37 ALA middle . . 24 A 38 HIS middle . . 25 A 39 ALA middle . . 26 A 40 LYS middle . . 27 A 41 ARG middle . . 28 A 42 PHE middle . . 29 A 43 THR middle . . 30 A 44 PHE middle . . 31 A 45 GLY middle . false 32 A 46 VAL middle . . 33 A 47 ARG middle . . 34 A 48 VAL middle . . 35 A 49 ASN middle . . 36 A 50 THR middle . . 37 A 51 SER middle . . 38 A 52 ASP middle . . 39 A 53 ARG middle . . 40 A 54 GLY middle . false 41 A 55 TRP middle . . 42 A 56 THR middle . . 43 A 57 ASP middle . . 44 A 58 GLU middle . . 45 A 59 CYS middle . . 46 A 60 ILE middle . . 47 A 61 GLY middle . false 48 A 62 GLU middle . . 49 A 63 PRO middle . false 50 A 64 MET middle . . 51 A 65 PRO middle . false 52 A 66 SER middle . . 53 A 67 VAL middle . . 54 A 68 LYS middle . . 55 A 69 LYS middle . . 56 A 70 ALA middle . . 57 A 71 LYS middle . . 58 A 72 ASP middle . . 59 A 73 SER middle . . 60 A 74 ALA middle . . 61 A 75 ALA middle . . 62 A 76 VAL middle . . 63 A 77 LEU middle . . 64 A 78 LEU middle . . 65 A 79 LEU middle . . 66 A 80 GLU middle . . 67 A 81 LEU middle . . 68 A 82 LEU middle . . 69 A 83 ASN middle . . 70 A 84 LYS middle . . 71 A 85 THR end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 15 ASN HA H 1 4.283 0.007 A 15 ASN HBx H 1 2.839 0.004 A 15 ASN HBy H 1 2.839 0.004 A 15 ASN HD2x H 1 7.975 0.000 A 15 ASN HD2y H 1 7.975 0.000 A 15 ASN C C 13 177.218 0.000 A 15 ASN CA C 13 56.661 0.062 A 15 ASN CB C 13 37.618 0.000 A 15 ASN N N 15 119.786 0.000 A 16 ASP H H 1 8.320 0.000 A 16 ASP HA H 1 4.340 0.005 A 16 ASP HBy H 1 2.877 0.003 A 16 ASP HBx H 1 2.782 0.000 A 16 ASP C C 13 178.935 0.000 A 16 ASP CA C 13 57.708 0.137 A 16 ASP CB C 13 40.681 0.000 A 16 ASP N N 15 119.381 0.000 A 17 ILE H H 1 7.793 0.006 A 17 ILE HA H 1 3.546 0.005 A 17 ILE HB H 1 1.964 0.005 A 17 ILE HD1% H 1 0.727 0.006 A 17 ILE HG1y H 1 1.621 0.002 A 17 ILE HG1x H 1 1.035 0.002 A 17 ILE HG2% H 1 1.128 0.000 A 17 ILE C C 13 177.116 0.000 A 17 ILE CA C 13 65.233 0.050 A 17 ILE CB C 13 37.701 0.272 A 17 ILE CD1 C 13 13.742 0.000 A 17 ILE CG1 C 13 29.363 0.059 A 17 ILE CG2 C 13 17.088 0.000 A 17 ILE N N 15 121.475 0.006 A 18 CYS H H 1 7.823 0.007 A 18 CYS HA H 1 3.942 0.009 A 18 CYS HBy H 1 3.248 0.004 A 18 CYS HBx H 1 2.979 0.002 A 18 CYS C C 13 176.671 0.000 A 18 CYS CA C 13 64.624 0.000 A 18 CYS CB C 13 25.965 0.096 A 18 CYS N N 15 117.506 0.007 A 19 LEU H H 1 8.101 0.005 A 19 LEU HA H 1 4.096 0.005 A 19 LEU HBy H 1 1.762 0.013 A 19 LEU HBx H 1 1.614 0.009 A 19 LEU HDx% H 1 0.888 0.004 A 19 LEU HDy% H 1 0.888 0.004 A 19 LEU C C 13 180.698 0.000 A 19 LEU CA C 13 57.937 0.148 A 19 LEU CB C 13 42.066 0.116 A 19 LEU CDx C 13 24.706 0.000 A 19 LEU CDy C 13 24.706 0.000 A 19 LEU CG C 13 27.311 0.000 A 19 LEU N N 15 118.832 0.088 A 20 ARG H H 1 7.934 0.005 A 20 ARG HA H 1 3.934 0.007 A 20 ARG HBy H 1 1.810 0.001 A 20 ARG HBx H 1 1.732 0.001 A 20 ARG HDx H 1 3.078 0.002 A 20 ARG HDy H 1 3.078 0.002 A 20 ARG HGx H 1 1.601 0.009 A 20 ARG HGy H 1 1.601 0.009 A 20 ARG C C 13 178.169 0.000 A 20 ARG CA C 13 58.875 0.051 A 20 ARG CB C 13 29.980 0.127 A 20 ARG CD C 13 43.463 0.000 A 20 ARG CG C 13 27.461 0.080 A 20 ARG N N 15 119.443 0.013 A 21 LYS H H 1 7.553 0.003 A 21 LYS HA H 1 3.773 0.003 A 21 LYS HBy H 1 0.235 0.005 A 21 LYS HBx H 1 0.193 0.009 A 21 LYS HDy H 1 0.964 0.004 A 21 LYS HDx H 1 0.750 0.006 A 21 LYS HEy H 1 2.624 0.003 A 21 LYS HEx H 1 2.560 0.002 A 21 LYS HGy H 1 0.762 0.001 A 21 LYS HGx H 1 0.164 0.011 A 21 LYS C C 13 175.224 0.000 A 21 LYS CA C 13 55.078 0.028 A 21 LYS CB C 13 30.517 0.103 A 21 LYS CD C 13 27.978 0.076 A 21 LYS CE C 13 42.068 0.044 A 21 LYS CG C 13 24.489 0.114 A 21 LYS N N 15 116.636 0.013 A 22 ASN H H 1 7.640 0.003 A 22 ASN HA H 1 4.302 0.002 A 22 ASN HBy H 1 3.152 0.003 A 22 ASN HBx H 1 2.766 0.003 A 22 ASN C C 13 174.073 0.000 A 22 ASN CA C 13 54.433 0.032 A 22 ASN CB C 13 37.017 0.102 A 22 ASN N N 15 114.898 0.005 A 23 TRP H H 1 8.692 0.003 A 23 TRP HA H 1 5.241 0.004 A 23 TRP HBy H 1 3.067 0.008 A 23 TRP HBx H 1 2.932 0.002 A 23 TRP HD1 H 1 6.956 0.006 A 23 TRP HE1 H 1 10.072 0.002 A 23 TRP HE3 H 1 7.678 0.004 A 23 TRP HH2 H 1 7.202 0.000 A 23 TRP HZ2 H 1 7.628 0.008 A 23 TRP HZ3 H 1 6.804 0.000 A 23 TRP C C 13 173.601 0.000 A 23 TRP CA C 13 51.820 0.021 A 23 TRP CB C 13 29.574 0.198 A 23 TRP CD1 C 13 123.547 0.000 A 23 TRP CE3 C 13 121.241 0.000 A 23 TRP CH2 C 13 125.178 0.000 A 23 TRP CZ2 C 13 115.158 0.000 A 23 TRP CZ3 C 13 122.002 0.000 A 23 TRP N N 15 120.563 0.004 A 23 TRP NE1 N 15 125.172 0.006 A 24 PRO HA H 1 4.459 0.019 A 24 PRO HBy H 1 2.297 0.004 A 24 PRO HBx H 1 1.914 0.002 A 24 PRO HDy H 1 3.679 0.008 A 24 PRO HDx H 1 3.628 0.003 A 24 PRO HGx H 1 1.914 0.019 A 24 PRO HGy H 1 1.914 0.019 A 24 PRO C C 13 175.391 0.000 A 24 PRO CA C 13 62.098 0.037 A 24 PRO CB C 13 31.582 0.142 A 24 PRO CD C 13 49.853 0.086 A 24 PRO CG C 13 28.114 0.423 A 25 MET H H 1 8.201 0.006 A 25 MET HA H 1 4.751 0.011 A 25 MET HBy H 1 2.105 0.011 A 25 MET HBx H 1 1.988 0.009 A 25 MET HE% H 1 2.158 0.005 A 25 MET HGy H 1 2.986 0.003 A 25 MET HGx H 1 2.662 0.012 A 25 MET C C 13 175.240 0.000 A 25 MET CA C 13 53.800 0.000 A 25 MET CB C 13 30.695 0.146 A 25 MET CE C 13 18.947 0.048 A 25 MET CG C 13 33.383 0.172 A 25 MET N N 15 116.562 0.016 A 26 PRO HA H 1 4.324 0.005 A 26 PRO HBy H 1 1.698 0.003 A 26 PRO HBx H 1 1.496 0.005 A 26 PRO HDx H 1 3.701 0.007 A 26 PRO HDy H 1 4.289 0.002 A 26 PRO HGy H 1 2.129 0.000 A 26 PRO HGx H 1 1.940 0.000 A 26 PRO C C 13 174.890 0.000 A 26 PRO CA C 13 63.481 0.031 A 26 PRO CB C 13 32.725 0.116 A 26 PRO CD C 13 51.090 0.024 A 26 PRO CG C 13 27.887 0.000 A 27 SER H H 1 8.555 0.003 A 27 SER HA H 1 4.781 0.004 A 27 SER HBy H 1 3.864 0.006 A 27 SER HBx H 1 3.812 0.003 A 27 SER C C 13 173.365 0.000 A 27 SER CA C 13 57.219 0.000 A 27 SER CB C 13 64.227 0.074 A 27 SER N N 15 116.608 0.005 A 28 TYR H H 1 8.939 0.002 A 28 TYR HA H 1 5.621 0.004 A 28 TYR HBx H 1 3.027 0.002 A 28 TYR HBy H 1 3.027 0.002 A 28 TYR HDx H 1 7.085 0.008 A 28 TYR HDy H 1 7.085 0.008 A 28 TYR HEx H 1 6.794 0.003 A 28 TYR HEy H 1 6.794 0.003 A 28 TYR C C 13 176.175 0.000 A 28 TYR CA C 13 57.563 0.062 A 28 TYR CB C 13 41.861 0.066 A 28 TYR CDx C 13 133.173 0.000 A 28 TYR CDy C 13 133.173 0.000 A 28 TYR CEx C 13 118.084 0.000 A 28 TYR CEy C 13 118.084 0.000 A 28 TYR N N 15 125.256 0.013 A 29 ARG H H 1 9.159 0.005 A 29 ARG HA H 1 4.542 0.007 A 29 ARG HBy H 1 1.711 0.005 A 29 ARG HBx H 1 1.480 0.005 A 29 ARG HDy H 1 3.084 0.007 A 29 ARG HDx H 1 2.748 0.006 A 29 ARG HGy H 1 1.247 0.012 A 29 ARG HGx H 1 1.076 0.004 A 29 ARG C C 13 173.134 0.000 A 29 ARG CA C 13 54.820 0.000 A 29 ARG CB C 13 34.721 0.095 A 29 ARG CD C 13 43.513 0.186 A 29 ARG CG C 13 27.359 0.025 A 29 ARG N N 15 120.540 0.009 A 30 CYS HA H 1 2.897 0.005 A 30 CYS HBy H 1 2.627 0.005 A 30 CYS HBx H 1 2.259 0.004 A 30 CYS C C 13 174.180 0.000 A 30 CYS CA C 13 58.719 0.019 A 30 CYS CB C 13 26.106 0.036 A 31 VAL H H 1 8.659 0.003 A 31 VAL HA H 1 3.651 0.003 A 31 VAL HB H 1 1.594 0.012 A 31 VAL HGx% H 1 0.735 0.044 A 31 VAL HGy% H 1 0.795 0.005 A 31 VAL C C 13 175.711 0.000 A 31 VAL CA C 13 64.086 0.068 A 31 VAL CB C 13 32.512 0.153 A 31 VAL CGy C 13 21.207 0.277 A 31 VAL CGx C 13 20.708 0.046 A 31 VAL N N 15 132.259 0.019 A 32 LYS H H 1 7.673 0.006 A 32 LYS HA H 1 4.360 0.004 A 32 LYS HBy H 1 1.642 0.006 A 32 LYS HBx H 1 1.611 0.011 A 32 LYS HDx H 1 1.562 0.005 A 32 LYS HDy H 1 1.562 0.005 A 32 LYS HEy H 1 2.898 0.000 A 32 LYS HEx H 1 2.849 0.006 A 32 LYS HGy H 1 1.251 0.009 A 32 LYS HGx H 1 1.133 0.005 A 32 LYS C C 13 173.015 0.000 A 32 LYS CA C 13 56.402 0.083 A 32 LYS CB C 13 36.004 0.167 A 32 LYS CD C 13 29.206 0.000 A 32 LYS CE C 13 42.155 0.036 A 32 LYS CG C 13 24.709 0.071 A 32 LYS N N 15 118.630 0.023 A 33 GLU H H 1 8.431 0.005 A 33 GLU HA H 1 4.853 0.004 A 33 GLU HBx H 1 1.816 0.004 A 33 GLU HBy H 1 1.816 0.004 A 33 GLU HGx H 1 1.894 0.000 A 33 GLU HGy H 1 1.894 0.000 A 33 GLU C C 13 175.060 0.000 A 33 GLU CA C 13 54.564 0.088 A 33 GLU CB C 13 32.137 0.043 A 33 GLU CG C 13 36.349 0.000 A 33 GLU N N 15 125.800 0.007 A 34 GLY H H 1 8.345 0.002 A 34 GLY HAy H 1 4.293 0.006 A 34 GLY HAx H 1 3.798 0.002 A 34 GLY C C 13 172.318 0.000 A 34 GLY CA C 13 44.641 0.053 A 34 GLY N N 15 111.079 0.002 A 35 GLY H H 1 8.184 0.000 A 35 GLY HAy H 1 4.412 0.002 A 35 GLY HAx H 1 3.736 0.001 A 35 GLY C C 13 171.757 0.000 A 35 GLY CA C 13 43.737 0.020 A 35 GLY N N 15 107.395 0.000 A 36 PRO HA H 1 4.476 0.014 A 36 PRO HBy H 1 2.205 0.005 A 36 PRO HBx H 1 1.786 0.004 A 36 PRO HDx H 1 3.404 0.003 A 36 PRO HDy H 1 3.404 0.003 A 36 PRO HGx H 1 1.892 0.009 A 36 PRO HGy H 1 1.892 0.009 A 36 PRO C C 13 177.171 0.000 A 36 PRO CA C 13 62.263 0.042 A 36 PRO CB C 13 32.261 0.166 A 36 PRO CD C 13 48.632 0.050 A 36 PRO CG C 13 27.150 0.552 A 37 ALA H H 1 8.580 0.003 A 37 ALA HA H 1 3.823 0.003 A 37 ALA HB% H 1 1.412 0.004 A 37 ALA C C 13 178.547 0.000 A 37 ALA CA C 13 55.493 0.000 A 37 ALA CB C 13 18.551 0.044 A 37 ALA N N 15 120.595 0.017 A 38 HIS HA H 1 4.615 0.002 A 38 HIS HBy H 1 3.340 0.004 A 38 HIS HBx H 1 2.932 0.002 A 38 HIS HD2 H 1 6.917 0.004 A 38 HIS HE1 H 1 7.721 0.000 A 38 HIS C C 13 174.890 0.000 A 38 HIS CA C 13 55.861 0.158 A 38 HIS CB C 13 30.360 0.167 A 38 HIS CD2 C 13 118.673 0.000 A 38 HIS CE1 C 13 139.389 0.000 A 39 ALA H H 1 7.697 0.004 A 39 ALA HA H 1 4.474 0.004 A 39 ALA HB% H 1 0.917 0.002 A 39 ALA C C 13 174.351 0.000 A 39 ALA CA C 13 51.316 0.027 A 39 ALA CB C 13 18.111 0.059 A 39 ALA N N 15 128.271 0.032 A 40 LYS H H 1 7.990 0.002 A 40 LYS HA H 1 4.118 0.004 A 40 LYS HBy H 1 1.607 0.002 A 40 LYS HBx H 1 1.155 0.003 A 40 LYS HDx H 1 1.379 0.004 A 40 LYS HDy H 1 1.379 0.004 A 40 LYS HEy H 1 2.717 0.002 A 40 LYS HEx H 1 2.668 0.010 A 40 LYS HGy H 1 1.293 0.006 A 40 LYS HGx H 1 1.163 0.006 A 40 LYS C C 13 177.551 0.000 A 40 LYS CA C 13 56.144 0.072 A 40 LYS CB C 13 33.072 0.062 A 40 LYS CD C 13 28.673 0.084 A 40 LYS CE C 13 41.932 0.062 A 40 LYS CG C 13 24.308 0.152 A 40 LYS N N 15 121.927 0.007 A 41 ARG H H 1 8.296 0.010 A 41 ARG HA H 1 4.638 0.008 A 41 ARG HBy H 1 1.434 0.001 A 41 ARG HBx H 1 1.292 0.006 A 41 ARG C C 13 174.770 0.000 A 41 ARG CA C 13 53.478 0.000 A 41 ARG CB C 13 33.390 0.074 A 41 ARG CD C 13 43.354 0.000 A 41 ARG CG C 13 26.763 0.000 A 41 ARG N N 15 119.572 0.047 A 42 PHE H H 1 9.339 0.001 A 42 PHE HA H 1 5.047 0.013 A 42 PHE HBy H 1 2.984 0.004 A 42 PHE HBx H 1 2.786 0.006 A 42 PHE HDx H 1 7.099 0.017 A 42 PHE HDy H 1 7.099 0.017 A 42 PHE HEx H 1 7.250 0.015 A 42 PHE HEy H 1 7.250 0.015 A 42 PHE C C 13 174.407 0.000 A 42 PHE CA C 13 57.026 0.045 A 42 PHE CB C 13 43.129 0.092 A 42 PHE N N 15 120.381 0.010 A 43 THR H H 1 8.949 0.001 A 43 THR HA H 1 4.704 0.011 A 43 THR HB H 1 3.791 0.006 A 43 THR HG2% H 1 1.008 0.003 A 43 THR C C 13 173.713 0.000 A 43 THR CA C 13 62.117 0.221 A 43 THR CB C 13 70.104 0.092 A 43 THR CG2 C 13 21.835 0.015 A 43 THR N N 15 117.999 0.007 A 44 PHE H H 1 10.048 0.043 A 44 PHE HA H 1 5.395 0.005 A 44 PHE HBx H 1 2.842 0.010 A 44 PHE HBy H 1 2.842 0.010 A 44 PHE HDx H 1 7.118 0.000 A 44 PHE HDy H 1 7.118 0.000 A 44 PHE HEx H 1 7.259 0.000 A 44 PHE HEy H 1 7.259 0.000 A 44 PHE C C 13 173.221 0.000 A 44 PHE CA C 13 56.423 0.004 A 44 PHE CB C 13 43.917 0.078 A 44 PHE N N 15 129.592 0.006 A 45 GLY H H 1 9.290 0.002 A 45 GLY HAy H 1 5.633 0.005 A 45 GLY HAx H 1 3.336 0.004 A 45 GLY C C 13 172.774 0.000 A 45 GLY CA C 13 43.538 0.071 A 45 GLY N N 15 105.921 0.009 A 46 VAL H H 1 8.906 0.003 A 46 VAL HA H 1 5.350 0.007 A 46 VAL HB H 1 1.700 0.003 A 46 VAL HGx% H 1 0.083 0.003 A 46 VAL HGy% H 1 0.757 0.004 A 46 VAL C C 13 171.140 0.000 A 46 VAL CA C 13 58.832 0.046 A 46 VAL CB C 13 36.387 0.055 A 46 VAL CGx C 13 20.599 0.101 A 46 VAL CGy C 13 22.729 0.030 A 46 VAL N N 15 121.311 0.009 A 47 ARG H H 1 8.008 0.008 A 47 ARG HA H 1 4.571 0.005 A 47 ARG HBx H 1 1.775 0.004 A 47 ARG HBy H 1 1.775 0.004 A 47 ARG HDx H 1 2.716 0.003 A 47 ARG HDy H 1 2.716 0.003 A 47 ARG HGy H 1 1.630 0.000 A 47 ARG HGx H 1 1.519 0.000 A 47 ARG C C 13 173.683 0.000 A 47 ARG CA C 13 54.958 0.048 A 47 ARG CB C 13 35.716 0.039 A 47 ARG CD C 13 44.520 0.000 A 47 ARG CG C 13 25.490 0.067 A 47 ARG N N 15 122.102 0.081 A 48 VAL H H 1 8.103 0.003 A 48 VAL HA H 1 4.787 0.004 A 48 VAL HB H 1 1.648 0.010 A 48 VAL HGx% H 1 0.755 0.048 A 48 VAL HGy% H 1 0.803 0.002 A 48 VAL C C 13 172.777 0.000 A 48 VAL CA C 13 59.970 0.000 A 48 VAL CB C 13 36.312 0.006 A 48 VAL CGx C 13 22.118 0.066 A 48 VAL CGy C 13 22.860 0.048 A 48 VAL N N 15 117.391 0.009 A 49 ASN H H 1 8.543 0.007 A 49 ASN HA H 1 3.536 0.004 A 49 ASN HBy H 1 1.921 0.003 A 49 ASN HBx H 1 -0.318 0.002 A 49 ASN C C 13 174.221 0.000 A 49 ASN CA C 13 50.607 0.070 A 49 ASN CB C 13 34.742 0.048 A 49 ASN N N 15 127.065 0.003 A 50 THR H H 1 6.801 0.004 A 50 THR HA H 1 2.159 0.003 A 50 THR HB H 1 3.510 0.005 A 50 THR HG2% H 1 0.039 0.005 A 50 THR C C 13 175.168 0.000 A 50 THR CA C 13 61.126 0.049 A 50 THR CB C 13 69.987 0.091 A 50 THR CG2 C 13 21.266 0.049 A 50 THR N N 15 114.402 0.014 A 51 SER H H 1 6.797 0.003 A 51 SER HA H 1 4.105 0.000 A 51 SER HBx H 1 4.076 0.007 A 51 SER HBy H 1 4.076 0.007 A 51 SER C C 13 174.760 0.000 A 51 SER CA C 13 59.958 0.000 A 51 SER CB C 13 63.115 0.063 A 51 SER N N 15 114.587 0.036 A 52 ASP H H 1 8.784 0.001 A 52 ASP HA H 1 4.589 0.005 A 52 ASP HBy H 1 2.719 0.000 A 52 ASP HBx H 1 2.663 0.000 A 52 ASP C C 13 177.236 0.000 A 52 ASP CA C 13 54.550 0.000 A 52 ASP CB C 13 40.606 0.000 A 52 ASP N N 15 117.329 0.009 A 53 ARG H H 1 7.666 0.004 A 53 ARG HA H 1 4.496 0.006 A 53 ARG HBy H 1 1.797 0.005 A 53 ARG HBx H 1 1.570 0.006 A 53 ARG HDx H 1 3.084 0.009 A 53 ARG HDy H 1 3.084 0.009 A 53 ARG HGy H 1 1.496 0.015 A 53 ARG HGx H 1 1.392 0.002 A 53 ARG C C 13 176.062 0.000 A 53 ARG CA C 13 55.050 0.120 A 53 ARG CB C 13 31.441 0.066 A 53 ARG CD C 13 43.482 0.000 A 53 ARG CG C 13 26.979 0.117 A 53 ARG N N 15 118.330 0.001 A 54 GLY H H 1 7.248 0.004 A 54 GLY HAy H 1 4.054 0.004 A 54 GLY HAx H 1 3.779 0.003 A 54 GLY C C 13 177.680 0.000 A 54 GLY CA C 13 44.677 0.025 A 54 GLY N N 15 110.510 0.007 A 55 TRP H H 1 8.289 0.006 A 55 TRP HA H 1 4.919 0.006 A 55 TRP HBy H 1 3.163 0.006 A 55 TRP HBx H 1 2.902 0.003 A 55 TRP HD1 H 1 7.256 0.004 A 55 TRP HE1 H 1 9.964 0.000 A 55 TRP HE3 H 1 7.038 0.008 A 55 TRP HH2 H 1 7.150 0.000 A 55 TRP HZ2 H 1 7.371 0.000 A 55 TRP HZ3 H 1 6.672 0.005 A 55 TRP C C 13 178.873 0.000 A 55 TRP CA C 13 58.117 0.018 A 55 TRP CB C 13 29.774 0.162 A 55 TRP CD1 C 13 127.877 0.000 A 55 TRP CE3 C 13 119.495 0.000 A 55 TRP CH2 C 13 124.284 0.000 A 55 TRP CZ2 C 13 114.875 0.000 A 55 TRP CZ3 C 13 121.610 0.000 A 55 TRP N N 15 123.328 0.008 A 55 TRP NE1 N 15 128.886 0.012 A 56 THR H H 1 8.972 0.003 A 56 THR HA H 1 4.329 0.012 A 56 THR HB H 1 4.588 0.008 A 56 THR HG2% H 1 1.291 0.004 A 56 THR C C 13 175.261 0.000 A 56 THR CA C 13 61.698 0.004 A 56 THR CB C 13 72.359 0.006 A 56 THR CG2 C 13 21.361 0.012 A 56 THR N N 15 114.627 0.006 A 57 ASP H H 1 8.379 0.004 A 57 ASP HA H 1 4.445 0.007 A 57 ASP HBy H 1 2.605 0.003 A 57 ASP HBx H 1 2.376 0.003 A 57 ASP C C 13 175.710 0.000 A 57 ASP CA C 13 55.377 0.032 A 57 ASP CB C 13 40.872 0.073 A 57 ASP N N 15 120.151 0.015 A 58 GLU H H 1 8.581 0.007 A 58 GLU HA H 1 4.465 0.009 A 58 GLU HBy H 1 1.981 0.002 A 58 GLU HBx H 1 1.469 0.005 A 58 GLU HGx H 1 1.811 0.003 A 58 GLU HGy H 1 1.811 0.003 A 58 GLU C C 13 176.412 0.000 A 58 GLU CA C 13 55.471 0.000 A 58 GLU CB C 13 31.058 0.033 A 58 GLU CG C 13 37.385 0.077 A 58 GLU N N 15 122.449 0.002 A 59 CYS H H 1 8.671 0.005 A 59 CYS HA H 1 4.695 0.004 A 59 CYS HBx H 1 2.716 0.004 A 59 CYS HBy H 1 2.716 0.004 A 59 CYS C C 13 173.364 0.000 A 59 CYS CA C 13 58.920 0.000 A 59 CYS CB C 13 29.684 0.050 A 59 CYS N N 15 126.725 0.037 A 60 ILE H H 1 8.735 0.002 A 60 ILE HA H 1 4.693 0.006 A 60 ILE HB H 1 1.767 0.012 A 60 ILE HD1% H 1 0.737 0.007 A 60 ILE HG1y H 1 1.477 0.003 A 60 ILE HG1x H 1 0.870 0.002 A 60 ILE HG2% H 1 0.920 0.003 A 60 ILE C C 13 176.175 0.000 A 60 ILE CA C 13 60.776 0.000 A 60 ILE CB C 13 38.346 0.120 A 60 ILE CD1 C 13 12.481 0.092 A 60 ILE CG1 C 13 28.026 0.030 A 60 ILE CG2 C 13 17.897 0.014 A 60 ILE N N 15 126.614 0.007 A 61 GLY H H 1 8.610 0.003 A 61 GLY HAy H 1 4.260 0.003 A 61 GLY HAx H 1 3.823 0.004 A 61 GLY C C 13 171.844 0.000 A 61 GLY CA C 13 44.283 0.069 A 61 GLY N N 15 112.366 0.010 A 62 GLU H H 1 8.214 0.004 A 62 GLU HA H 1 4.545 0.004 A 62 GLU HBy H 1 2.055 0.007 A 62 GLU HBx H 1 1.788 0.003 A 62 GLU HGy H 1 2.350 0.002 A 62 GLU HGx H 1 2.284 0.009 A 62 GLU C C 13 174.927 0.000 A 62 GLU CA C 13 53.882 0.189 A 62 GLU CB C 13 30.349 0.167 A 62 GLU CG C 13 36.684 0.121 A 62 GLU N N 15 115.030 0.003 A 63 PRO HA H 1 4.864 0.003 A 63 PRO HBy H 1 1.986 0.003 A 63 PRO HBx H 1 1.658 0.005 A 63 PRO HDy H 1 3.774 0.007 A 63 PRO HDx H 1 3.679 0.001 A 63 PRO C C 13 178.286 0.000 A 63 PRO CA C 13 62.260 0.000 A 63 PRO CB C 13 31.267 0.046 A 63 PRO CD C 13 49.977 0.127 A 63 PRO CG C 13 28.009 0.000 A 64 MET H H 1 9.267 0.010 A 64 MET HA H 1 5.530 0.004 A 64 MET HBy H 1 1.957 0.003 A 64 MET HBx H 1 1.956 0.003 A 64 MET HE% H 1 2.172 0.003 A 64 MET HGy H 1 2.865 0.004 A 64 MET HGx H 1 2.706 0.006 A 64 MET C C 13 176.337 0.000 A 64 MET CA C 13 51.674 0.056 A 64 MET CB C 13 37.597 0.189 A 64 MET CE C 13 19.001 0.103 A 64 MET CG C 13 32.238 0.043 A 64 MET N N 15 123.505 0.010 A 65 PRO HA H 1 5.086 0.005 A 65 PRO HBy H 1 2.387 0.009 A 65 PRO HBx H 1 2.239 0.016 A 65 PRO HDy H 1 3.967 0.003 A 65 PRO HDx H 1 3.669 0.005 A 65 PRO HGx H 1 2.040 0.007 A 65 PRO HGy H 1 2.040 0.007 A 65 PRO C C 13 174.862 0.000 A 65 PRO CA C 13 63.666 0.150 A 65 PRO CB C 13 32.527 0.065 A 65 PRO CD C 13 51.533 0.078 A 65 PRO CG C 13 27.486 0.264 A 66 SER H H 1 7.165 0.001 A 66 SER HA H 1 4.813 0.008 A 66 SER HBy H 1 4.106 0.005 A 66 SER HBx H 1 3.869 0.006 A 66 SER C C 13 173.368 0.000 A 66 SER CA C 13 55.463 0.000 A 66 SER CB C 13 66.775 0.019 A 66 SER N N 15 109.598 0.016 A 67 VAL H H 1 8.522 0.005 A 67 VAL HA H 1 2.830 0.009 A 67 VAL HB H 1 1.504 0.003 A 67 VAL HGx% H 1 0.231 0.027 A 67 VAL HGy% H 1 0.280 0.000 A 67 VAL C C 13 177.116 0.000 A 67 VAL CA C 13 66.829 0.041 A 67 VAL CB C 13 31.324 0.000 A 67 VAL CGy C 13 21.884 0.020 A 67 VAL CGx C 13 20.665 0.024 A 67 VAL N N 15 124.347 0.035 A 68 LYS H H 1 8.098 0.005 A 68 LYS HA H 1 3.469 0.004 A 68 LYS HBy H 1 1.663 0.007 A 68 LYS HBx H 1 1.584 0.011 A 68 LYS HDx H 1 1.552 0.000 A 68 LYS HDy H 1 1.552 0.000 A 68 LYS HEx H 1 2.885 0.004 A 68 LYS HEy H 1 2.885 0.004 A 68 LYS HGy H 1 1.337 0.004 A 68 LYS HGx H 1 1.205 0.001 A 68 LYS C C 13 178.286 0.000 A 68 LYS CA C 13 60.350 0.015 A 68 LYS CB C 13 32.364 0.088 A 68 LYS CD C 13 29.312 0.000 A 68 LYS CE C 13 42.175 0.061 A 68 LYS CG C 13 25.402 0.000 A 68 LYS N N 15 118.639 0.141 A 69 LYS H H 1 7.499 0.004 A 69 LYS HA H 1 4.094 0.006 A 69 LYS HBx H 1 1.903 0.005 A 69 LYS HBy H 1 1.903 0.005 A 69 LYS HDx H 1 1.701 0.005 A 69 LYS HDy H 1 1.701 0.005 A 69 LYS HEx H 1 3.016 0.008 A 69 LYS HEy H 1 3.016 0.008 A 69 LYS HGx H 1 1.498 0.009 A 69 LYS HGy H 1 1.498 0.009 A 69 LYS C C 13 179.694 0.000 A 69 LYS CA C 13 58.828 0.074 A 69 LYS CB C 13 32.839 0.172 A 69 LYS CD C 13 29.394 0.000 A 69 LYS CE C 13 41.880 0.135 A 69 LYS CG C 13 26.667 0.028 A 69 LYS N N 15 115.388 0.012 A 70 ALA H H 1 8.296 0.006 A 70 ALA HA H 1 4.149 0.006 A 70 ALA HB% H 1 1.803 0.004 A 70 ALA C C 13 181.217 0.000 A 70 ALA CA C 13 55.716 0.034 A 70 ALA CB C 13 20.510 0.019 A 70 ALA N N 15 124.226 0.016 A 71 LYS H H 1 8.385 0.003 A 71 LYS HA H 1 3.643 0.005 A 71 LYS HBy H 1 1.450 0.004 A 71 LYS HBx H 1 1.059 0.004 A 71 LYS HGy H 1 0.475 0.010 A 71 LYS HGx H 1 -0.041 0.002 A 71 LYS C C 13 177.937 0.000 A 71 LYS CA C 13 61.087 0.064 A 71 LYS CB C 13 32.128 0.206 A 71 LYS CG C 13 26.543 0.111 A 71 LYS N N 15 120.522 0.009 A 72 ASP H H 1 8.029 0.004 A 72 ASP HA H 1 4.306 0.005 A 72 ASP HBy H 1 2.875 0.000 A 72 ASP HBx H 1 2.771 0.007 A 72 ASP C C 13 177.042 0.000 A 72 ASP CA C 13 58.140 0.000 A 72 ASP CB C 13 40.125 0.165 A 72 ASP N N 15 119.428 0.005 A 73 SER H H 1 7.785 0.003 A 73 SER HA H 1 4.243 0.001 A 73 SER HBx H 1 4.247 0.000 A 73 SER HBy H 1 4.247 0.000 A 73 SER C C 13 177.000 0.000 A 73 SER CA C 13 63.579 0.016 A 73 SER CB C 13 60.947 0.055 A 73 SER N N 15 111.435 0.000 A 74 ALA H H 1 7.472 0.004 A 74 ALA HA H 1 3.963 0.008 A 74 ALA HB% H 1 1.620 0.010 A 74 ALA C C 13 178.170 0.000 A 74 ALA CA C 13 55.498 0.125 A 74 ALA CB C 13 17.911 0.036 A 74 ALA N N 15 120.363 0.010 A 75 ALA H H 1 8.653 0.006 A 75 ALA HA H 1 3.948 0.006 A 75 ALA HB% H 1 1.700 0.007 A 75 ALA C C 13 179.341 0.000 A 75 ALA CA C 13 55.660 0.036 A 75 ALA CB C 13 18.942 0.055 A 75 ALA N N 15 118.116 0.013 A 76 VAL H H 1 8.124 0.005 A 76 VAL HA H 1 3.656 0.004 A 76 VAL HB H 1 2.193 0.004 A 76 VAL HGx% H 1 1.072 0.008 A 76 VAL HGy% H 1 1.091 0.013 A 76 VAL C C 13 178.051 0.000 A 76 VAL CA C 13 66.651 0.041 A 76 VAL CB C 13 31.847 0.043 A 76 VAL CGx C 13 21.388 0.000 A 76 VAL CGy C 13 22.966 0.009 A 76 VAL N N 15 115.858 0.007 A 77 LEU H H 1 7.038 0.005 A 77 LEU HA H 1 4.189 0.022 A 77 LEU HBy H 1 1.956 0.004 A 77 LEU HBx H 1 1.560 0.005 A 77 LEU HG H 1 1.851 0.000 A 77 LEU C C 13 179.692 0.000 A 77 LEU CA C 13 57.584 0.000 A 77 LEU CB C 13 41.916 0.031 A 77 LEU CDx C 13 23.230 0.000 A 77 LEU CDy C 13 25.229 0.000 A 77 LEU CG C 13 27.079 0.000 A 77 LEU N N 15 119.881 0.034 A 78 LEU H H 1 7.694 0.005 A 78 LEU HA H 1 4.528 0.004 A 78 LEU HBy H 1 1.897 0.010 A 78 LEU HBx H 1 1.437 0.004 A 78 LEU HDx% H 1 0.947 0.007 A 78 LEU HDy% H 1 0.947 0.007 A 78 LEU HG H 1 1.727 0.000 A 78 LEU C C 13 178.601 0.000 A 78 LEU CA C 13 57.458 0.074 A 78 LEU CB C 13 41.254 0.146 A 78 LEU CDx C 13 23.230 0.000 A 78 LEU CDy C 13 27.566 0.082 A 78 LEU CG C 13 27.560 0.000 A 78 LEU N N 15 122.083 0.041 A 79 LEU H H 1 8.671 0.008 A 79 LEU HA H 1 3.864 0.005 A 79 LEU HBy H 1 1.803 0.002 A 79 LEU HBx H 1 1.487 0.006 A 79 LEU HDx% H 1 0.768 0.010 A 79 LEU HDy% H 1 0.768 0.010 A 79 LEU HG H 1 1.750 0.000 A 79 LEU C C 13 178.861 0.000 A 79 LEU CA C 13 58.477 0.139 A 79 LEU CB C 13 41.618 0.049 A 79 LEU CDx C 13 23.230 0.000 A 79 LEU CDy C 13 25.249 0.064 A 79 LEU CG C 13 27.254 0.000 A 79 LEU N N 15 120.548 0.020 A 80 GLU H H 1 7.613 0.005 A 80 GLU HA H 1 4.059 0.004 A 80 GLU HBy H 1 2.206 0.005 A 80 GLU HBx H 1 2.138 0.014 A 80 GLU HGy H 1 2.493 0.004 A 80 GLU HGx H 1 2.285 0.001 A 80 GLU C C 13 178.957 0.000 A 80 GLU CA C 13 59.336 0.049 A 80 GLU CB C 13 29.381 0.231 A 80 GLU CG C 13 36.364 0.024 A 80 GLU N N 15 117.398 0.022 A 81 LEU H H 1 7.656 0.008 A 81 LEU HA H 1 4.160 0.005 A 81 LEU HBy H 1 1.980 0.007 A 81 LEU HBx H 1 1.858 0.005 A 81 LEU HDx% H 1 0.940 0.008 A 81 LEU HDy% H 1 0.939 0.009 A 81 LEU HG H 1 1.721 0.001 A 81 LEU C C 13 180.162 0.000 A 81 LEU CA C 13 58.113 0.000 A 81 LEU CB C 13 42.057 0.098 A 81 LEU CDy C 13 25.336 0.063 A 81 LEU CDx C 13 25.110 0.000 A 81 LEU CG C 13 27.015 0.000 A 81 LEU N N 15 120.633 0.110 A 82 LEU H H 1 8.583 0.005 A 82 LEU HA H 1 4.163 0.009 A 82 LEU HBy H 1 1.930 0.008 A 82 LEU HBx H 1 1.565 0.006 A 82 LEU HDx% H 1 0.916 0.010 A 82 LEU HDy% H 1 0.915 0.014 A 82 LEU HG H 1 1.712 0.000 A 82 LEU C C 13 178.289 0.000 A 82 LEU CA C 13 57.855 0.000 A 82 LEU CB C 13 42.018 0.128 A 82 LEU CDy C 13 26.749 0.043 A 82 LEU CDx C 13 22.585 0.323 A 82 LEU CG C 13 27.888 0.000 A 82 LEU N N 15 118.949 0.015 A 83 ASN H H 1 7.920 0.004 A 83 ASN HA H 1 4.729 0.013 A 83 ASN HBy H 1 2.919 0.000 A 83 ASN HBx H 1 2.822 0.015 A 83 ASN HD2y H 1 6.729 0.000 A 83 ASN C C 13 174.784 0.000 A 83 ASN CA C 13 53.739 0.011 A 83 ASN CB C 13 39.148 0.143 A 83 ASN N N 15 116.570 0.007 A 83 ASN ND2 N 15 109.441 0.000 A 84 LYS H H 1 7.593 0.006 A 84 LYS HA H 1 4.404 0.005 A 84 LYS HBy H 1 1.948 0.003 A 84 LYS HBx H 1 1.945 0.005 A 84 LYS HDx H 1 1.712 0.000 A 84 LYS HDy H 1 1.712 0.000 A 84 LYS HGy H 1 1.613 0.000 A 84 LYS HGx H 1 1.582 0.000 A 84 LYS C C 13 175.910 0.000 A 84 LYS CA C 13 56.836 0.022 A 84 LYS CB C 13 32.999 0.000 A 84 LYS CD C 13 29.286 0.000 A 84 LYS CE C 13 41.976 0.000 A 84 LYS CG C 13 24.610 0.000 A 84 LYS N N 15 120.363 0.009 A 85 THR H H 1 7.679 0.006 A 85 THR HA H 1 4.164 0.006 A 85 THR HB H 1 4.247 0.000 A 85 THR HG2% H 1 1.201 0.001 A 85 THR C C 13 179.110 0.000 A 85 THR CA C 13 63.538 0.080 A 85 THR CB C 13 70.962 0.000 A 85 THR CG2 C 13 22.062 0.000 A 85 THR N N 15 120.405 0.018 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 23 TRP HE3 A 18 CYS HA 1.0 1.776 3.550 2 2 A 23 TRP HE3 A 24 PRO HDx 1.0 1.997 6.299 3 3 A 38 HIS HE1 A 36 PRO HDy 1.0 1.983 5.293 4 3 A 38 HIS HE1 A 36 PRO HDx 1.0 1.983 5.293 5 4 A 23 TRP HE3 A 23 TRP HBy 1.0 1.882 4.172 6 5 A 38 HIS HE1 A 38 HIS HBx 1.0 1.991 5.465 7 6 A 23 TRP HE3 A 23 TRP HBx 1.0 1.839 3.891 8 7 A 23 TRP HZ2 A 21 LYS HEy 1.0 1.968 5.024 9 8 A 23 TRP HZ2 A 21 LYS HEx 1.0 1.962 4.936 10 9 A 38 HIS HE1 A 36 PRO HBy 1.0 1.862 4.032 11 10 A 38 HIS HE1 A 36 PRO HGy 1.0 1.826 3.810 12 10 A 38 HIS HE1 A 36 PRO HGx 1.0 1.826 3.810 13 11 A 38 HIS HE1 A 36 PRO HBx 1.0 1.761 3.475 14 12 A 38 HIS HE1 A 37 ALA HB% 1.0 1.999 5.795 15 13 A 23 TRP HZ2 A 82 LEU HDx% 1.0 1.926 4.542 16 14 A 23 TRP HE3 A 48 VAL HGy% 1.0 1.859 4.019 17 15 A 23 TRP HZ2 A 21 LYS HGy 1.0 1.991 5.497 18 16 A 23 TRP HE3 A 21 LYS HBy 1.0 1.996 5.626 19 17 A 23 TRP HE3 A 21 LYS HBx 1.0 1.971 5.061 20 18 A 23 TRP HZ2 A 21 LYS HBx 1.0 1.970 5.052 21 19 A 23 TRP HE3 A 50 THR HG2% 1.0 1.930 4.572 22 20 A 23 TRP HZ2 A 50 THR HG2% 1.0 1.828 3.824 23 21 A 23 TRP HE3 A 23 TRP HH2 1.0 1.934 4.614 24 22 A 23 TRP HZ2 A 23 TRP HH2 1.0 1.575 2.737 25 23 A 23 TRP HE3 A 23 TRP HZ3 1.0 1.669 3.075 26 24 A 42 PHE HDx A 67 VAL HGy% 1.0 1.901 4.323 27 24 A 67 VAL HGy% A 42 PHE HDy 1.0 1.901 4.323 28 25 A 21 LYS HBy A 23 TRP HH2 1.0 1.936 4.636 29 26 A 21 LYS HBy A 23 TRP HD1 1.0 1.959 4.895 30 27 A 42 PHE HEx A 67 VAL HGx% 1.0 1.694 3.178 31 27 A 67 VAL HGx% A 42 PHE HEy 1.0 1.694 3.178 32 28 A 42 PHE HDy A 67 VAL HGx% 1.0 1.798 3.656 33 28 A 42 PHE HDx A 67 VAL HGx% 1.0 1.798 3.656 34 29 A 21 LYS HBx A 23 TRP HH2 1.0 1.999 5.891 35 30 A 21 LYS HBx A 23 TRP HD1 1.0 1.985 5.327 36 31 A 21 LYS HBx A 23 TRP HZ3 1.0 1.998 5.712 37 32 A 23 TRP HH2 A 21 LYS HGx 1.0 2.000 5.932 38 33 A 28 TYR HDx A 46 VAL HGx% 1.0 1.833 3.853 39 33 A 46 VAL HGx% A 28 TYR HDy 1.0 1.833 3.853 40 34 A 46 VAL HGx% A 28 TYR HEx 1.0 1.764 3.486 41 34 A 46 VAL HGx% A 28 TYR HEy 1.0 1.764 3.486 42 35 A 50 THR HG2% A 23 TRP HZ3 1.0 1.912 4.406 43 36 A 50 THR HG2% A 23 TRP HH2 1.0 1.873 4.109 44 37 A 28 TYR HEy A 71 LYS HGx 1.0 1.983 5.267 45 37 A 28 TYR HEx A 71 LYS HGx 1.0 1.983 5.267 46 38 A 42 PHE HEy A 33 GLU HGy 1.0 1.829 3.831 47 38 A 42 PHE HEy A 33 GLU HGx 1.0 1.829 3.831 48 38 A 42 PHE HEx A 33 GLU HGy 1.0 1.829 3.831 49 38 A 42 PHE HEx A 33 GLU HGx 1.0 1.829 3.831 50 39 A 42 PHE HDy A 33 GLU HGx 1.0 1.848 3.952 51 39 A 42 PHE HDx A 33 GLU HGy 1.0 1.848 3.952 52 39 A 42 PHE HDx A 33 GLU HGx 1.0 1.848 3.952 53 39 A 42 PHE HDy A 33 GLU HGy 1.0 1.848 3.952 54 40 A 55 TRP HE3 A 47 ARG HBy 1.0 1.794 3.640 55 40 A 47 ARG HBx A 55 TRP HE3 1.0 1.794 3.640 56 41 A 47 ARG HBy A 55 TRP HZ3 1.0 1.907 4.365 57 41 A 47 ARG HBx A 55 TRP HZ3 1.0 1.907 4.365 58 42 A 55 TRP HH2 A 26 PRO HBy 1.0 1.978 5.182 59 43 A 55 TRP HZ3 A 48 VAL HB 1.0 1.942 4.698 60 44 A 23 TRP HH2 A 48 VAL HB 1.0 1.989 5.409 61 45 A 55 TRP HZ2 A 47 ARG HGy 1.0 1.996 5.624 62 46 A 74 ALA HB% A 44 PHE HDy 1.0 1.782 3.578 63 46 A 44 PHE HDx A 74 ALA HB% 1.0 1.782 3.578 64 47 A 74 ALA HB% A 44 PHE HEx 1.0 1.796 3.648 65 47 A 74 ALA HB% A 44 PHE HEy 1.0 1.796 3.648 66 48 A 23 TRP HH2 A 82 LEU HBx 1.0 1.993 5.517 67 49 A 55 TRP HH2 A 47 ARG HGx 1.0 1.991 5.467 68 50 A 55 TRP HE3 A 47 ARG HGx 1.0 1.865 4.053 69 51 A 55 TRP HZ3 A 47 ARG HGx 1.0 1.869 4.081 70 52 A 42 PHE HEy A 40 LYS HDy 1.0 1.841 3.907 71 52 A 42 PHE HEy A 40 LYS HDx 1.0 1.841 3.907 72 52 A 42 PHE HEx A 40 LYS HDy 1.0 1.841 3.907 73 52 A 42 PHE HEx A 40 LYS HDx 1.0 1.841 3.907 74 53 A 44 PHE HEy A 71 LYS HBx 1.0 1.922 4.494 75 53 A 44 PHE HEx A 71 LYS HBx 1.0 1.922 4.494 76 54 A 28 TYR HDy A 71 LYS HBx 1.0 1.970 5.054 77 54 A 28 TYR HDx A 71 LYS HBx 1.0 1.970 5.054 78 55 A 28 TYR HEy A 71 LYS HBx 1.0 1.892 4.254 79 55 A 28 TYR HEx A 71 LYS HBx 1.0 1.892 4.254 80 56 A 44 PHE HDx A 43 THR HG2% 1.0 2.000 6.018 81 56 A 44 PHE HDy A 43 THR HG2% 1.0 2.000 6.018 82 57 A 28 TYR HDx A 78 LEU HDy% 1.0 1.998 5.756 83 57 A 28 TYR HDy A 78 LEU HDy% 1.0 1.998 5.756 84 58 A 23 TRP HH2 A 21 LYS HDy 1.0 1.978 5.186 85 59 A 28 TYR HEx A 78 LEU HDy% 1.0 1.917 4.451 86 59 A 28 TYR HEy A 78 LEU HDy% 1.0 1.917 4.451 87 60 A 38 HIS HD2 A 39 ALA HB% 1.0 1.715 3.265 88 61 A 82 LEU HDx% A 23 TRP HZ3 1.0 1.706 3.230 89 62 A 48 VAL HGy% A 23 TRP HH2 1.0 1.995 5.617 90 63 A 48 VAL HGy% A 23 TRP HZ3 1.0 1.916 4.440 91 64 A 48 VAL HGy% A 28 TYR HEy 1.0 1.973 5.101 92 64 A 48 VAL HGy% A 28 TYR HEx 1.0 1.973 5.101 93 65 A 28 TYR HEy A 46 VAL HGy% 1.0 1.868 4.078 94 65 A 28 TYR HEx A 46 VAL HGy% 1.0 1.868 4.078 95 66 A 23 TRP HH2 A 48 VAL HGx% 1.0 1.930 4.572 96 67 A 23 TRP HD1 A 48 VAL HGx% 1.0 1.993 5.553 97 68 A 23 TRP HZ3 A 48 VAL HGx% 1.0 1.808 3.710 98 69 A 55 TRP HE3 A 55 TRP HBy 1.0 1.886 4.200 99 70 A 23 TRP HBy A 23 TRP HD1 1.0 1.887 4.207 100 71 A 44 PHE HEy A 28 TYR HBx 1.0 1.752 3.428 101 71 A 44 PHE HEy A 28 TYR HBy 1.0 1.752 3.428 102 71 A 44 PHE HEx A 28 TYR HBy 1.0 1.752 3.428 103 71 A 44 PHE HEx A 28 TYR HBx 1.0 1.752 3.428 104 72 A 28 TYR HDy A 28 TYR HBx 1.0 1.581 2.755 105 72 A 28 TYR HDy A 28 TYR HBy 1.0 1.581 2.755 106 72 A 28 TYR HDx A 28 TYR HBy 1.0 1.581 2.755 107 72 A 28 TYR HDx A 28 TYR HBx 1.0 1.581 2.755 108 73 A 28 TYR HEy A 28 TYR HBy 1.0 1.915 4.439 109 73 A 28 TYR HEy A 28 TYR HBx 1.0 1.915 4.439 110 73 A 28 TYR HEx A 28 TYR HBy 1.0 1.915 4.439 111 73 A 28 TYR HEx A 28 TYR HBx 1.0 1.915 4.439 112 74 A 42 PHE HDy A 42 PHE HBy 1.0 1.642 2.972 113 74 A 42 PHE HDx A 42 PHE HBy 1.0 1.642 2.972 114 75 A 38 HIS HBx A 38 HIS HD2 1.0 1.900 4.310 115 76 A 23 TRP HBx A 23 TRP HD1 1.0 1.926 4.536 116 77 A 55 TRP HE3 A 55 TRP HBx 1.0 1.914 4.432 117 78 A 28 TYR HEy A 15 ASN HBx 1.0 1.982 5.260 118 78 A 28 TYR HEy A 15 ASN HBy 1.0 1.982 5.260 119 78 A 28 TYR HEx A 15 ASN HBy 1.0 1.982 5.260 120 78 A 28 TYR HEx A 15 ASN HBx 1.0 1.982 5.260 121 79 A 23 TRP HD1 A 22 ASN HBx 1.0 1.999 5.843 122 80 A 55 TRP HE3 A 47 ARG HDy 1.0 1.861 4.035 123 80 A 55 TRP HE3 A 47 ARG HDx 1.0 1.861 4.035 124 81 A 42 PHE HEy A 40 LYS HEx 1.0 1.930 4.580 125 81 A 42 PHE HEx A 40 LYS HEx 1.0 1.930 4.580 126 82 A 21 LYS HEy A 23 TRP HH2 1.0 1.981 5.247 127 83 A 28 TYR HEy A 28 TYR HA 1.0 1.981 5.227 128 83 A 28 TYR HEx A 28 TYR HA 1.0 1.981 5.227 129 84 A 44 PHE HDy A 44 PHE HA 1.0 1.857 4.001 130 84 A 44 PHE HDx A 44 PHE HA 1.0 1.857 4.001 131 85 A 28 TYR HEy A 46 VAL HA 1.0 1.977 5.169 132 85 A 28 TYR HEx A 46 VAL HA 1.0 1.977 5.169 133 86 A 42 PHE HEy A 42 PHE HA 1.0 1.939 4.663 134 86 A 42 PHE HEx A 42 PHE HA 1.0 1.939 4.663 135 87 A 42 PHE HDy A 42 PHE HA 1.0 1.808 3.712 136 87 A 42 PHE HDx A 42 PHE HA 1.0 1.808 3.712 137 88 A 55 TRP HD1 A 55 TRP HA 1.0 1.963 4.943 138 89 A 55 TRP HE3 A 55 TRP HA 1.0 1.799 3.663 139 90 A 55 TRP HZ3 A 55 TRP HA 1.0 1.992 5.512 140 91 A 42 PHE HEy A 66 SER HA 1.0 1.647 2.989 141 91 A 42 PHE HEx A 66 SER HA 1.0 1.647 2.989 142 92 A 42 PHE HDy A 66 SER HA 1.0 1.831 3.847 143 92 A 42 PHE HDx A 66 SER HA 1.0 1.831 3.847 144 93 A 44 PHE HEy A 60 ILE HA 1.0 1.999 5.811 145 93 A 44 PHE HEx A 60 ILE HA 1.0 1.999 5.811 146 94 A 42 PHE HDy A 41 ARG HA 1.0 1.965 4.973 147 94 A 42 PHE HDx A 41 ARG HA 1.0 1.965 4.973 148 95 A 42 PHE HEy A 41 ARG HA 1.0 1.998 5.786 149 95 A 42 PHE HEx A 41 ARG HA 1.0 1.998 5.786 150 96 A 38 HIS HD2 A 38 HIS HA 1.0 1.975 5.131 151 97 A 44 PHE HEy A 29 ARG HA 1.0 2.000 5.898 152 97 A 44 PHE HEx A 29 ARG HA 1.0 2.000 5.898 153 98 A 44 PHE HDy A 29 ARG HA 1.0 1.978 5.174 154 98 A 44 PHE HDx A 29 ARG HA 1.0 1.978 5.174 155 99 A 38 HIS HD2 A 39 ALA HA 1.0 1.985 5.317 156 100 A 23 TRP HD1 A 22 ASN HA 1.0 1.998 5.788 157 101 A 28 TYR HEy A 15 ASN HA 1.0 1.998 5.766 158 101 A 28 TYR HEx A 15 ASN HA 1.0 1.998 5.766 159 102 A 23 TRP HZ3 A 82 LEU HA 1.0 2.000 6.010 160 103 A 42 PHE HEy A 40 LYS HA 1.0 1.963 4.941 161 103 A 42 PHE HEx A 40 LYS HA 1.0 1.963 4.941 162 104 A 23 TRP HD1 A 51 SER HA 1.0 1.929 4.563 163 105 A 23 TRP HD1 A 51 SER HBy 1.0 1.774 3.534 164 105 A 23 TRP HD1 A 51 SER HBx 1.0 1.774 3.534 165 106 A 44 PHE HEy A 27 SER HBy 1.0 1.978 5.200 166 106 A 44 PHE HEx A 27 SER HBy 1.0 1.978 5.200 167 107 A 55 TRP HH2 A 27 SER HBy 1.0 1.958 4.884 168 108 A 28 TYR HDy A 27 SER HBx 1.0 1.997 5.713 169 108 A 28 TYR HDx A 27 SER HBx 1.0 1.997 5.713 170 109 A 55 TRP HH2 A 27 SER HBx 1.0 1.907 4.369 171 110 A 23 TRP HD1 A 24 PRO HDy 1.0 1.879 4.155 172 111 A 28 TYR HEy A 26 PRO HDy 1.0 1.969 5.031 173 111 A 28 TYR HEy A 26 PRO HDx 1.0 1.969 5.031 174 111 A 28 TYR HEx A 26 PRO HDy 1.0 1.969 5.031 175 111 A 28 TYR HEx A 26 PRO HDx 1.0 1.969 5.031 176 112 A 28 TYR HDy A 71 LYS HA 1.0 1.866 4.064 177 112 A 28 TYR HDx A 71 LYS HA 1.0 1.866 4.064 178 113 A 24 PRO HDx A 23 TRP HD1 1.0 1.907 4.367 179 114 A 55 TRP HZ3 A 49 ASN HA 1.0 2.000 5.900 180 115 A 23 TRP HH2 A 50 THR HB 1.0 1.999 5.803 181 116 A 38 HIS HD2 A 38 HIS HBy 1.0 1.833 3.857 182 117 A 55 TRP HZ3 A 55 TRP HZ2 1.0 1.909 4.383 183 118 A 55 TRP HZ3 A 55 TRP HH2 1.0 1.690 3.162 184 119 A 55 TRP HE3 A 55 TRP HZ3 1.0 1.702 3.210 185 120 A 28 TYR HDy A 28 TYR HEx 1.0 1.547 2.647 186 120 A 28 TYR HDy A 28 TYR HEy 1.0 1.547 2.647 187 120 A 28 TYR HDx A 28 TYR HEy 1.0 1.547 2.647 188 120 A 28 TYR HDx A 28 TYR HEx 1.0 1.547 2.647 189 121 A 55 TRP HH2 A 55 TRP HZ2 1.0 1.609 2.855 190 122 A 23 TRP HH2 A 23 TRP HZ3 1.0 1.660 3.042 191 123 A 42 PHE HDy A 70 ALA HA 1.0 1.992 5.502 192 123 A 42 PHE HDx A 70 ALA HA 1.0 1.992 5.502 193 124 A 55 TRP HE3 A 47 ARG HA 1.0 1.995 5.617 194 125 A 28 TYR HDy A 46 VAL HA 1.0 1.907 4.367 195 125 A 28 TYR HDx A 46 VAL HA 1.0 1.907 4.367 196 126 A 55 TRP HZ3 A 55 TRP HBy 1.0 2.000 6.098 197 127 A 28 TYR HDx A 46 VAL HGy% 1.0 1.923 4.501 198 127 A 28 TYR HDy A 46 VAL HGy% 1.0 1.923 4.501 199 128 A 23 TRP HH2 A 82 LEU HG 1.0 2.000 5.988 200 129 A 47 ARG HBy A 55 TRP HZ2 1.0 1.996 5.654 201 129 A 47 ARG HBx A 55 TRP HZ2 1.0 1.996 5.654 202 130 A 38 HIS HE1 A 38 HIS HD2 1.0 1.970 5.056 203 131 A 56 THR HB A 56 THR HA 1.0 1.486 2.460 204 132 A 85 THR HB A 85 THR H 1.0 1.835 3.867 205 133 A 43 THR HB A 43 THR HA 1.0 1.863 4.043 206 134 A 43 THR HB A 43 THR H 1.0 1.797 3.653 207 135 A 43 THR HB A 32 LYS HBx 1.0 1.603 2.831 208 136 A 23 TRP HZ2 A 50 THR HB 1.0 1.743 3.391 209 137 A 50 THR HG2% A 50 THR HB 1.0 1.524 2.574 210 138 A 66 SER HA A 66 SER HBy 1.0 1.684 3.136 211 139 A 66 SER HA A 66 SER HBx 1.0 1.732 3.338 212 140 A 66 SER HBy A 66 SER HBx 1.0 1.479 2.439 213 141 A 79 LEU H A 76 VAL HA 1.0 1.818 3.770 214 142 A 76 VAL HA A 76 VAL H 1.0 1.683 3.131 215 143 A 76 VAL HA A 76 VAL HB 1.0 1.687 3.147 216 144 A 76 VAL HA A 79 LEU HBy 1.0 1.698 3.192 217 145 A 67 VAL HA A 67 VAL HB 1.0 1.731 3.335 218 146 A 67 VAL HGx% A 67 VAL HA 1.0 1.496 2.488 219 147 A 17 ILE H A 17 ILE HA 1.0 1.650 3.002 220 148 A 17 ILE HA A 17 ILE HG1y 1.0 1.655 3.023 221 149 A 17 ILE HA A 17 ILE HB 1.0 1.720 3.288 222 150 A 17 ILE HA A 17 ILE HD1% 1.0 1.582 2.762 223 151 A 27 SER HBy A 47 ARG H 1.0 1.866 4.064 224 152 A 27 SER HBy A 28 TYR H 1.0 1.837 3.881 225 153 A 27 SER HBy A 27 SER H 1.0 1.686 3.142 226 154 A 55 TRP HZ3 A 27 SER HBy 1.0 1.777 3.553 227 155 A 27 SER HBy A 27 SER HA 1.0 1.676 3.106 228 156 A 55 TRP HZ3 A 27 SER HBx 1.0 1.756 3.452 229 157 A 27 SER HBx A 28 TYR H 1.0 1.877 4.135 230 158 A 27 SER HBx A 27 SER H 1.0 1.680 3.120 231 159 A 27 SER HBx A 27 SER HA 1.0 1.667 3.067 232 160 A 31 VAL H A 31 VAL HA 1.0 1.767 3.505 233 161 A 31 VAL HA A 31 VAL HB 1.0 1.686 3.144 234 162 A 31 VAL HA A 31 VAL HGx% 1.0 1.515 2.543 235 163 A 42 PHE HDx A 65 PRO HA 1.0 1.842 8.406 236 164 A 65 PRO HA A 65 PRO HBy 1.0 1.547 2.645 237 165 A 41 ARG HA A 65 PRO HA 1.0 1.754 3.436 238 166 A 27 SER H A 26 PRO HA 1.0 1.502 2.506 239 167 A 26 PRO HA A 48 VAL HA 1.0 1.706 3.228 240 168 A 26 PRO HA A 26 PRO HBx 1.0 1.760 3.470 241 169 A 73 SER H A 73 SER HA 1.0 1.729 3.327 242 170 A 73 SER HA A 74 ALA H 1.0 1.842 3.914 243 171 A 85 THR HA A 85 THR HG2% 1.0 1.672 3.088 244 172 A 31 VAL HA A 32 LYS H 1.0 1.856 4.000 245 173 A 64 MET H A 63 PRO HA 1.0 1.614 2.872 246 174 A 37 ALA H A 36 PRO HA 1.0 1.847 3.939 247 175 A 36 PRO HBy A 36 PRO HA 1.0 1.526 2.578 248 176 A 24 PRO HA A 24 PRO HBx 1.0 1.549 2.651 249 177 A 43 THR HG2% A 43 THR HA 1.0 1.671 3.085 250 178 A 24 PRO HA A 24 PRO HBy 1.0 1.554 2.666 251 179 A 56 THR HA A 56 THR H 1.0 1.769 3.513 252 180 A 56 THR HA A 57 ASP H 1.0 1.493 2.481 253 181 A 56 THR HA A 56 THR HG2% 1.0 1.536 2.612 254 182 A 71 LYS HA A 74 ALA H 1.0 1.881 4.163 255 183 A 74 ALA HB% A 71 LYS HA 1.0 1.756 3.452 256 184 A 71 LYS HA A 71 LYS HBy 1.0 1.809 3.719 257 185 A 71 LYS HGx A 71 LYS HA 1.0 1.719 3.283 258 186 A 71 LYS HA A 71 LYS H 1.0 1.747 3.407 259 187 A 28 TYR HDx A 71 LYS HA 1.0 1.789 3.611 260 188 A 71 LYS HBx A 71 LYS HA 1.0 1.723 3.299 261 189 A 23 TRP HE1 A 50 THR HA 1.0 1.832 3.852 262 190 A 50 THR HA A 51 SER H 1.0 1.519 2.557 263 191 A 50 THR HB A 50 THR HA 1.0 1.551 2.661 264 192 A 50 THR HG2% A 50 THR HA 1.0 1.594 2.802 265 193 A 60 ILE HA A 60 ILE HG2% 1.0 1.641 2.971 266 194 A 68 LYS H A 68 LYS HA 1.0 1.738 3.368 267 195 A 68 LYS HA A 68 LYS HBx 1.0 1.557 2.677 268 196 A 68 LYS HA A 68 LYS HGx 1.0 1.791 3.623 269 197 A 51 SER HA A 51 SER H 1.0 1.695 3.181 270 198 A 80 GLU HA A 83 ASN H 1.0 1.811 3.731 271 199 A 80 GLU HA A 80 GLU HBx 1.0 1.509 2.527 272 200 A 46 VAL HA A 47 ARG H 1.0 1.492 2.476 273 201 A 46 VAL HGy% A 46 VAL HA 1.0 1.854 3.980 274 202 A 46 VAL HGx% A 46 VAL HA 1.0 1.562 2.692 275 203 A 69 LYS H A 69 LYS HA 1.0 1.702 3.210 276 204 A 20 ARG H A 20 ARG HA 1.0 1.604 2.836 277 205 A 20 ARG HA A 21 LYS H 1.0 1.779 3.561 278 206 A 79 LEU H A 79 LEU HA 1.0 1.686 3.144 279 207 A 44 PHE HA A 30 CYS HA 1.0 1.687 3.151 280 208 A 31 VAL H A 30 CYS HA 1.0 1.603 2.835 281 209 A 30 CYS HA A 30 CYS HBy 1.0 1.741 3.379 282 210 A 17 ILE H A 16 ASP HA 1.0 1.790 3.618 283 211 A 19 LEU H A 19 LEU HA 1.0 1.629 2.923 284 212 A 19 LEU HA A 19 LEU HBx 1.0 1.473 2.419 285 213 A 79 LEU HA A 80 GLU H 1.0 1.816 3.758 286 214 A 28 TYR HA A 29 ARG H 1.0 1.536 2.612 287 215 A 28 TYR HA A 28 TYR H 1.0 1.815 3.751 288 216 A 28 TYR HDx A 28 TYR HA 1.0 1.728 3.326 289 217 A 46 VAL HGx% A 28 TYR HA 1.0 1.758 3.462 290 218 A 78 LEU H A 78 LEU HA 1.0 1.642 2.972 291 219 A 78 LEU HA A 78 LEU HBy 1.0 1.627 2.919 292 220 A 78 LEU HA A 78 LEU HBx 1.0 1.708 3.238 293 221 A 16 ASP HA A 16 ASP HBy 1.0 1.602 2.828 294 222 A 82 LEU HDx% A 82 LEU HA 1.0 1.315 2.001 295 223 A 42 PHE HA A 43 THR H 1.0 1.565 2.703 296 224 A 42 PHE HBy A 42 PHE HA 1.0 1.661 3.045 297 225 A 42 PHE HA A 42 PHE HBx 1.0 1.723 3.301 298 226 A 42 PHE HDx A 42 PHE HA 1.0 1.822 3.792 299 227 A 85 THR H A 84 LYS HA 1.0 1.546 2.642 300 228 A 84 LYS HA A 84 LYS HGx 1.0 1.578 2.746 301 229 A 15 ASN HA A 18 CYS H 1.0 1.768 3.506 302 230 A 15 ASN HA A 18 CYS HBy 1.0 1.763 3.479 303 231 A 15 ASN HA A 15 ASN H1 1.0 1.714 3.264 304 232 A 44 PHE HA A 45 GLY H 1.0 1.565 2.703 305 233 A 44 PHE HA A 31 VAL H 1.0 1.691 3.167 306 234 A 38 HIS HA A 38 HIS HBy 1.0 1.549 2.651 307 235 A 33 GLU H A 32 LYS HA 1.0 1.524 2.572 308 236 A 32 LYS H A 32 LYS HA 1.0 1.648 2.998 309 237 A 32 LYS HA A 32 LYS HGy 1.0 1.709 3.241 310 238 A 40 LYS HA A 40 LYS H 1.0 1.746 3.404 311 239 A 40 LYS HDx A 40 LYS HA 1.0 1.630 2.932 312 240 A 40 LYS HA A 40 LYS HBx 1.0 1.602 2.830 313 241 A 53 ARG HA A 53 ARG HBy 1.0 1.947 4.751 314 242 A 53 ARG HA A 53 ARG HGy 1.0 1.530 2.592 315 243 A 57 ASP H A 57 ASP HA 1.0 1.606 2.842 316 244 A 57 ASP HA A 57 ASP HBy 1.0 1.567 2.713 317 245 A 70 ALA HA A 64 MET HGy 1.0 1.649 2.999 318 246 A 70 ALA HA A 64 MET HGx 1.0 1.654 3.020 319 247 A 70 ALA HA A 70 ALA HB% 1.0 1.526 2.578 320 248 A 74 ALA H A 74 ALA HA 1.0 1.700 3.202 321 249 A 74 ALA HA A 61 GLY HAy 1.0 1.565 2.703 322 250 A 74 ALA HB% A 74 ALA HA 1.0 1.398 2.212 323 251 A 75 ALA H A 75 ALA HA 1.0 1.589 2.787 324 252 A 78 LEU HDy% A 75 ALA HA 1.0 1.514 2.544 325 253 A 78 LEU H A 75 ALA HA 1.0 1.845 3.927 326 254 A 78 LEU HBy A 75 ALA HA 1.0 1.615 2.877 327 255 A 78 LEU HBx A 75 ALA HA 1.0 1.700 3.202 328 256 A 46 VAL HGy% A 75 ALA HA 1.0 1.562 2.694 329 257 A 37 ALA HB% A 37 ALA HA 1.0 1.497 2.489 330 258 A 52 ASP HA A 52 ASP HBy 1.0 1.438 2.322 331 259 A 47 ARG HA A 48 VAL H 1.0 1.575 2.739 332 260 A 47 ARG HA A 78 LEU HDx% 1.0 1.691 3.165 333 261 A 29 ARG HA A 29 ARG HBx 1.0 1.628 2.924 334 262 A 53 ARG HA A 54 GLY H 1.0 1.794 3.642 335 263 A 21 LYS H A 21 LYS HA 1.0 1.632 2.936 336 264 A 21 LYS HA A 21 LYS HDx 1.0 1.597 2.809 337 265 A 21 LYS HDy A 21 LYS HA 1.0 1.686 3.146 338 266 A 34 GLY H A 33 GLU HA 1.0 1.605 2.841 339 267 A 62 GLU HA A 62 GLU HBy 1.0 1.999 5.837 340 268 A 22 ASN HA A 23 TRP H 1.0 1.650 3.002 341 269 A 22 ASN HA A 22 ASN H 1.0 1.459 2.381 342 270 A 22 ASN HA A 22 ASN HBy 1.0 1.586 2.774 343 271 A 83 ASN HA A 84 LYS H 1.0 1.716 3.272 344 272 A 64 MET HA A 65 PRO HDy 1.0 1.499 2.499 345 273 A 64 MET HA A 65 PRO HDx 1.0 1.603 2.833 346 274 A 64 MET HGx A 64 MET HA 1.0 1.819 3.773 347 275 A 64 MET H A 64 MET HA 1.0 1.795 3.645 348 276 A 64 MET HGy A 64 MET HA 1.0 1.786 3.596 349 277 A 23 TRP H A 23 TRP HA 1.0 1.778 3.556 350 278 A 23 TRP HD1 A 23 TRP HA 1.0 1.609 2.853 351 279 A 24 PRO HDy A 23 TRP HA 1.0 1.479 2.439 352 280 A 23 TRP HBy A 23 TRP HA 1.0 1.667 3.069 353 281 A 23 TRP HBx A 23 TRP HA 1.0 1.731 3.337 354 282 A 65 PRO HDy A 65 PRO HDx 1.0 1.451 2.357 355 283 A 39 ALA HA A 39 ALA H 1.0 1.786 3.594 356 284 A 39 ALA HA A 40 LYS H 1.0 1.625 2.909 357 285 A 39 ALA HB% A 39 ALA HA 1.0 1.511 2.535 358 286 A 65 PRO HBy A 65 PRO HDy 1.0 1.818 3.772 359 287 A 26 PRO HDy A 25 MET HA 1.0 1.643 2.977 360 288 A 26 PRO HDx A 26 PRO HDy 1.0 1.463 2.391 361 289 A 26 PRO HDy A 26 PRO HBx 1.0 1.875 4.125 362 290 A 55 TRP HA A 49 ASN HA 1.0 1.587 2.777 363 291 A 49 ASN HA A 49 ASN HBx 1.0 1.732 3.338 364 292 A 55 TRP HE3 A 49 ASN HA 1.0 1.803 3.683 365 293 A 49 ASN HA A 50 THR H 1.0 1.551 2.659 366 294 A 62 GLU HA A 63 PRO HDy 1.0 1.535 2.609 367 295 A 62 GLU HBy A 63 PRO HDy 1.0 1.992 5.502 368 296 A 62 GLU HA A 63 PRO HDx 1.0 1.545 2.639 369 297 A 24 PRO HDx A 23 TRP HA 1.0 1.637 2.955 370 298 A 24 PRO HDx A 23 TRP HBy 1.0 1.814 3.744 371 299 A 34 GLY H A 34 GLY HAy 1.0 1.729 3.329 372 300 A 54 GLY H A 54 GLY HAy 1.0 1.666 3.064 373 301 A 54 GLY HAy A 55 TRP H 1.0 1.608 2.850 374 302 A 49 ASN HA A 54 GLY HAy 1.0 1.780 3.570 375 303 A 55 TRP H A 54 GLY HAx 1.0 1.568 2.716 376 304 A 54 GLY H A 54 GLY HAx 1.0 1.609 2.853 377 305 A 54 GLY HAy A 54 GLY HAx 1.0 1.376 2.156 378 306 A 74 ALA HB% A 61 GLY HAy 1.0 1.837 3.881 379 307 A 61 GLY HAy A 61 GLY H 1.0 1.741 3.379 380 308 A 61 GLY HAy A 62 GLU H 1.0 1.664 3.058 381 309 A 61 GLY H A 61 GLY HAx 1.0 1.695 3.179 382 310 A 74 ALA HB% A 61 GLY HAx 1.0 1.779 3.559 383 311 A 34 GLY HAy A 34 GLY HAx 1.0 1.284 1.930 384 312 A 46 VAL H A 45 GLY HAy 1.0 1.649 2.999 385 313 A 60 ILE HA A 45 GLY HAy 1.0 1.712 3.252 386 314 A 36 PRO HDy A 35 GLY HAy 1.0 1.520 2.558 387 314 A 36 PRO HDx A 35 GLY HAy 1.0 1.520 2.558 388 315 A 35 GLY HAy A 35 GLY HAx 1.0 1.381 2.167 389 316 A 45 GLY HAy A 45 GLY HAx 1.0 1.465 2.399 390 317 A 60 ILE HA A 45 GLY HAx 1.0 1.740 3.378 391 318 A 45 GLY HAx A 60 ILE HG1x 1.0 1.806 3.704 392 319 A 45 GLY HAx A 60 ILE HD1% 1.0 1.674 3.096 393 320 A 45 GLY H A 45 GLY HAx 1.0 1.752 3.434 394 321 A 45 GLY HAx A 58 GLU HGy 1.0 1.788 3.608 395 321 A 45 GLY HAx A 58 GLU HGx 1.0 1.788 3.608 396 322 A 29 ARG HDy A 29 ARG HDx 1.0 1.478 2.434 397 323 A 29 ARG HDy A 29 ARG HGy 1.0 1.838 3.882 398 324 A 29 ARG HDy A 29 ARG HGx 1.0 1.852 3.972 399 325 A 29 ARG HDx A 29 ARG HGx 1.0 1.900 4.312 400 326 A 29 ARG HDx A 29 ARG HGy 1.0 1.643 2.979 401 327 A 29 ARG HBx A 29 ARG HDx 1.0 1.561 2.691 402 328 A 42 PHE HDx A 42 PHE HBx 1.0 1.989 6.593 403 329 A 32 LYS HGy A 32 LYS HEx 1.0 1.671 3.083 404 330 A 32 LYS HEx A 32 LYS HGx 1.0 1.711 3.247 405 331 A 21 LYS HEx A 21 LYS HDy 1.0 1.765 3.495 406 332 A 81 LEU HBy A 82 LEU H 1.0 1.796 3.650 407 333 A 82 LEU H A 81 LEU HBx 1.0 1.749 3.417 408 334 A 81 LEU HBx A 81 LEU HA 1.0 1.616 2.878 409 335 A 20 ARG H A 19 LEU HBx 1.0 1.748 3.410 410 336 A 16 ASP HA A 19 LEU HBx 1.0 1.811 3.731 411 337 A 40 LYS HEy A 40 LYS HGx 1.0 1.740 3.378 412 338 A 21 LYS HEy A 21 LYS HDy 1.0 1.805 3.695 413 339 A 21 LYS HEy A 21 LYS HDx 1.0 1.639 2.961 414 340 A 21 LYS HEy A 21 LYS HGx 1.0 1.803 3.687 415 341 A 21 LYS HEx A 21 LYS HDx 1.0 1.632 2.936 416 342 A 21 LYS HEx A 21 LYS HGx 1.0 1.773 3.533 417 343 A 78 LEU HA A 81 LEU HBy 1.0 1.801 3.677 418 344 A 81 LEU HBy A 81 LEU HG 1.0 1.564 2.698 419 345 A 81 LEU HBy A 81 LEU H 1.0 1.610 2.858 420 346 A 81 LEU HBy A 81 LEU HA 1.0 1.590 2.786 421 347 A 77 LEU H A 77 LEU HBy 1.0 1.717 3.277 422 348 A 77 LEU HBy A 77 LEU HBx 1.0 1.401 2.221 423 349 A 81 LEU HBx A 81 LEU H 1.0 1.614 2.872 424 350 A 78 LEU HA A 81 LEU HBx 1.0 1.786 3.598 425 351 A 79 LEU HBy A 79 LEU HA 1.0 1.760 3.468 426 352 A 79 LEU HBy A 79 LEU HBx 1.0 1.488 2.466 427 353 A 19 LEU H A 19 LEU HBy 1.0 1.664 3.056 428 354 A 16 ASP HA A 19 LEU HBy 1.0 1.766 3.494 429 355 A 19 LEU HA A 19 LEU HBy 1.0 1.647 2.991 430 356 A 19 LEU HBx A 19 LEU HBy 1.0 1.320 2.016 431 357 A 77 LEU H A 77 LEU HBx 1.0 1.765 3.489 432 358 A 82 LEU HBx A 82 LEU HA 1.0 1.571 2.723 433 359 A 82 LEU HBx A 82 LEU HBy 1.0 1.341 2.067 434 360 A 57 ASP H A 57 ASP HBx 1.0 1.646 2.990 435 361 A 57 ASP HA A 57 ASP HBx 1.0 1.685 3.141 436 362 A 57 ASP HBy A 57 ASP HBx 1.0 1.332 2.046 437 363 A 79 LEU H A 78 LEU HBy 1.0 1.849 3.951 438 364 A 78 LEU H A 78 LEU HBy 1.0 1.651 3.007 439 365 A 78 LEU HBy A 78 LEU HBx 1.0 1.492 2.478 440 366 A 69 LYS HA A 72 ASP HBy 1.0 1.907 7.819 441 367 A 69 LYS HA A 72 ASP HBx 1.0 1.971 6.993 442 368 A 72 ASP HBx A 72 ASP H 1.0 1.777 3.551 443 369 A 52 ASP HA A 52 ASP HBx 1.0 1.558 2.682 444 370 A 57 ASP HBx A 58 GLU H 1.0 1.865 4.061 445 371 A 72 ASP HBx A 72 ASP HA 1.0 1.717 3.271 446 372 A 83 ASN H A 83 ASN HBy 1.0 1.655 3.023 447 373 A 83 ASN HA A 83 ASN HBy 1.0 1.690 3.162 448 374 A 80 GLU HA A 83 ASN HBy 1.0 1.752 3.434 449 375 A 83 ASN HA A 83 ASN HBx 1.0 1.651 3.009 450 376 A 83 ASN H A 83 ASN HBx 1.0 1.646 2.990 451 377 A 60 ILE HA A 60 ILE HB 1.0 1.765 3.493 452 378 A 60 ILE HB A 60 ILE H 1.0 1.640 2.968 453 379 A 17 ILE H A 17 ILE HB 1.0 1.601 2.825 454 380 A 17 ILE HB A 82 LEU HDy% 1.0 1.896 7.932 455 381 A 17 ILE HB A 17 ILE HD1% 1.0 1.552 2.660 456 382 A 60 ILE HB A 60 ILE HG1y 1.0 1.691 3.165 457 383 A 22 ASN H A 22 ASN HBy 1.0 1.788 3.608 458 384 A 22 ASN HBx A 22 ASN HBy 1.0 1.312 1.996 459 385 A 62 GLU HA A 62 GLU HGy 1.0 1.754 3.442 460 386 A 62 GLU HBy A 62 GLU HGy 1.0 1.608 2.852 461 387 A 62 GLU H A 62 GLU HGy 1.0 1.784 3.586 462 388 A 62 GLU HGy A 62 GLU HGx 1.0 1.680 3.118 463 389 A 62 GLU HGy A 62 GLU HBx 1.0 1.680 3.120 464 390 A 62 GLU H A 62 GLU HGx 1.0 1.821 3.787 465 391 A 62 GLU HGx A 62 GLU HBx 1.0 1.659 3.041 466 392 A 62 GLU HA A 62 GLU HGx 1.0 1.793 3.633 467 393 A 80 GLU H A 80 GLU HGy 1.0 1.740 3.374 468 394 A 80 GLU HA A 80 GLU HGy 1.0 1.760 3.468 469 395 A 80 GLU H A 80 GLU HGx 1.0 1.723 3.301 470 396 A 80 GLU HGy A 80 GLU HGx 1.0 1.326 2.028 471 397 A 46 VAL HA A 46 VAL HB 1.0 1.699 3.199 472 398 A 46 VAL HGy% A 46 VAL HB 1.0 1.604 2.834 473 399 A 32 LYS H A 32 LYS HBy 1.0 1.911 7.777 474 400 A 48 VAL HB A 48 VAL HA 1.0 1.797 3.655 475 401 A 32 LYS HA A 32 LYS HBy 1.0 1.702 3.208 476 402 A 43 THR HB A 32 LYS HBy 1.0 1.691 3.167 477 403 A 32 LYS HGy A 32 LYS HBy 1.0 1.592 2.794 478 404 A 48 VAL HB A 48 VAL HGx% 1.0 1.526 2.578 479 405 A 47 ARG HBy A 48 VAL H 1.0 1.747 3.409 480 406 A 49 ASN HBx A 49 ASN HBy 1.0 1.546 2.644 481 407 A 29 ARG HA A 29 ARG HBy 1.0 1.883 8.049 482 408 A 29 ARG HGx A 29 ARG HBy 1.0 1.824 3.802 483 409 A 29 ARG HBx A 29 ARG HBy 1.0 1.494 2.480 484 410 A 29 ARG H A 29 ARG HBx 1.0 1.850 3.960 485 411 A 29 ARG HDx A 29 ARG HBy 1.0 1.833 3.857 486 412 A 25 MET HGy A 25 MET HGx 1.0 1.362 2.120 487 413 A 25 MET HGy A 25 MET HBy 1.0 1.608 2.852 488 414 A 25 MET HGy A 25 MET HBx 1.0 1.604 2.834 489 415 A 25 MET HGy A 25 MET H 1.0 1.731 3.335 490 416 A 25 MET HA A 25 MET HGx 1.0 1.929 7.579 491 417 A 25 MET HGx A 25 MET HBy 1.0 1.689 3.155 492 418 A 25 MET HGx A 25 MET H 1.0 1.681 3.125 493 419 A 41 ARG HA A 41 ARG HBx 1.0 1.850 3.954 494 420 A 25 MET HGx A 25 MET HBx 1.0 1.627 2.917 495 421 A 65 PRO HDy A 65 PRO HBx 1.0 1.841 8.419 496 422 A 26 PRO HBy A 26 PRO HA 1.0 1.669 3.075 497 423 A 46 VAL HGx% A 26 PRO HBy 1.0 1.724 3.304 498 424 A 42 PHE HEx A 40 LYS HBy 1.0 1.887 4.215 499 425 A 40 LYS HA A 40 LYS HBy 1.0 1.785 3.597 500 426 A 40 LYS HBx A 40 LYS HBy 1.0 1.408 2.240 501 427 A 26 PRO HBx A 26 PRO HGy 1.0 1.864 4.050 502 428 A 26 PRO HBy A 26 PRO HBx 1.0 1.446 2.344 503 429 A 46 VAL HGx% A 26 PRO HBx 1.0 1.756 3.446 504 430 A 64 MET HGy A 64 MET HGx 1.0 1.504 2.514 505 431 A 28 TYR HEx A 26 PRO HBy 1.0 1.989 5.423 506 432 A 68 LYS H A 68 LYS HBy 1.0 1.927 7.599 507 433 A 68 LYS HA A 68 LYS HBy 1.0 1.767 3.503 508 434 A 68 LYS H A 68 LYS HBx 1.0 1.874 8.130 509 435 A 31 VAL HB A 32 LYS H 1.0 1.784 3.588 510 436 A 71 LYS HBx A 71 LYS HBy 1.0 1.646 2.988 511 437 A 24 PRO HBx A 24 PRO HBy 1.0 1.362 2.118 512 438 A 76 VAL H A 76 VAL HB 1.0 1.666 3.066 513 439 A 76 VAL HB A 77 LEU H 1.0 1.811 3.731 514 440 A 24 PRO HBx A 25 MET H 1.0 1.848 3.946 515 441 A 53 ARG HA A 53 ARG HBx 1.0 1.789 3.611 516 442 A 24 PRO HBy A 25 MET H 1.0 1.798 3.660 517 443 A 25 MET HA A 25 MET HBy 1.0 1.843 3.917 518 444 A 63 PRO HA A 63 PRO HBy 1.0 1.784 3.584 519 445 A 58 GLU HBy A 58 GLU HBx 1.0 1.544 2.636 520 446 A 24 PRO HDy A 24 PRO HBx 1.0 1.747 3.407 521 447 A 63 PRO HA A 63 PRO HBx 1.0 1.798 3.658 522 448 A 63 PRO HBy A 63 PRO HBx 1.0 1.421 2.275 523 449 A 53 ARG HBy A 53 ARG HBx 1.0 1.400 2.218 524 450 A 58 GLU HBx A 58 GLU HA 1.0 1.754 3.442 525 451 A 58 GLU HGy A 58 GLU HBx 1.0 1.533 2.601 526 451 A 58 GLU HGx A 58 GLU HBx 1.0 1.533 2.601 527 452 A 38 HIS HBx A 38 HIS HA 1.0 1.602 2.830 528 453 A 38 HIS HBx A 38 HIS HBy 1.0 1.396 2.206 529 454 A 62 GLU HBy A 63 PRO HDx 1.0 1.975 6.933 530 455 A 62 GLU HBy A 62 GLU HBx 1.0 1.463 2.391 531 456 A 21 LYS HBy A 21 LYS HA 1.0 1.783 3.579 532 457 A 21 LYS HGy A 21 LYS HBy 1.0 1.773 3.531 533 458 A 21 LYS HGy A 21 LYS HBx 1.0 1.782 3.576 534 459 A 55 TRP HBy A 55 TRP HBx 1.0 1.508 2.524 535 460 A 55 TRP HBy A 55 TRP HA 1.0 1.808 3.716 536 461 A 23 TRP HBy A 23 TRP H 1.0 1.831 8.499 537 462 A 20 ARG H A 20 ARG HBy 1.0 1.712 3.252 538 463 A 17 ILE HA A 20 ARG HBy 1.0 1.763 3.485 539 464 A 20 ARG HA A 20 ARG HBy 1.0 1.722 3.298 540 465 A 20 ARG H A 20 ARG HBx 1.0 1.692 3.168 541 466 A 21 LYS H A 20 ARG HBx 1.0 1.829 3.837 542 467 A 20 ARG HA A 20 ARG HBx 1.0 1.713 3.255 543 468 A 80 GLU HA A 80 GLU HBy 1.0 1.926 7.612 544 469 A 80 GLU HBx A 80 GLU HBy 1.0 1.841 3.905 545 470 A 80 GLU HGy A 80 GLU HBy 1.0 1.755 3.443 546 471 A 17 ILE HG1y A 17 ILE HG1x 1.0 1.464 2.394 547 472 A 17 ILE HG1y A 17 ILE HD1% 1.0 1.581 2.755 548 473 A 17 ILE H A 17 ILE HG1x 1.0 1.846 3.936 549 474 A 17 ILE HA A 17 ILE HG1x 1.0 1.776 3.546 550 475 A 17 ILE HD1% A 17 ILE HG1x 1.0 1.588 2.780 551 476 A 60 ILE HA A 60 ILE HG1y 1.0 1.816 3.756 552 477 A 60 ILE HG1x A 60 ILE HG1y 1.0 1.453 2.363 553 478 A 60 ILE HD1% A 60 ILE HG1y 1.0 1.556 2.674 554 479 A 21 LYS HDy A 21 LYS HDx 1.0 1.353 2.099 555 480 A 60 ILE HG1x A 60 ILE HD1% 1.0 1.538 2.620 556 481 A 21 LYS HGx A 21 LYS HDx 1.0 1.641 2.969 557 482 A 29 ARG HGy A 29 ARG HGx 1.0 1.580 2.756 558 483 A 78 LEU HDy% A 78 LEU HBy 1.0 1.518 2.556 559 484 A 81 LEU HA A 81 LEU HG 1.0 1.765 3.491 560 485 A 53 ARG HA A 53 ARG HGx 1.0 1.829 3.829 561 486 A 53 ARG HBy A 53 ARG HGx 1.0 1.641 2.971 562 487 A 82 LEU HBy A 82 LEU HDy% 1.0 1.439 2.325 563 488 A 71 LYS HGx A 71 LYS HGy 1.0 1.681 3.123 564 489 A 18 CYS H A 18 CYS HBy 1.0 1.776 3.550 565 490 A 18 CYS HBy A 18 CYS HBx 1.0 1.533 2.599 566 491 A 18 CYS HA A 18 CYS HBy 1.0 1.857 4.005 567 492 A 18 CYS H A 18 CYS HBx 1.0 1.802 3.684 568 493 A 18 CYS HA A 18 CYS HBx 1.0 1.777 3.551 569 494 A 30 CYS HA A 30 CYS HBx 1.0 1.727 3.317 570 495 A 30 CYS HBy A 30 CYS HBx 1.0 1.508 2.522 571 496 A 15 ASN HA A 18 CYS HBx 1.0 1.867 4.075 572 497 A 84 LYS HA A 84 LYS HGy 1.0 1.883 8.055 573 498 A 32 LYS HA A 32 LYS HGx 1.0 1.837 3.879 574 499 A 40 LYS HA A 40 LYS HGy 1.0 1.887 4.205 575 500 A 40 LYS H A 40 LYS HGx 1.0 1.877 8.107 576 501 A 40 LYS HA A 40 LYS HGx 1.0 1.849 3.957 577 502 A 21 LYS HGx A 21 LYS HA 1.0 1.923 4.513 578 503 A 21 LYS HGy A 21 LYS HGx 1.0 1.521 2.565 579 504 A 76 VAL H A 76 VAL HGy% 1.0 1.600 2.824 580 505 A 77 LEU H A 76 VAL HGy% 1.0 1.839 3.887 581 506 A 76 VAL HA A 76 VAL HGy% 1.0 1.624 2.906 582 507 A 76 VAL HB A 76 VAL HGy% 1.0 1.563 2.697 583 508 A 48 VAL HGy% A 48 VAL H 1.0 1.819 3.775 584 509 A 46 VAL HGx% A 47 ARG H 1.0 1.677 3.111 585 510 A 46 VAL HGx% A 46 VAL HB 1.0 1.489 2.467 586 511 A 46 VAL HGx% A 78 LEU HDy% 1.0 1.553 2.663 587 512 A 46 VAL HGx% A 46 VAL HGy% 1.0 1.549 2.653 588 513 A 82 LEU HDx% A 23 TRP HH2 1.0 1.757 3.455 589 514 A 48 VAL HGx% A 48 VAL HA 1.0 1.757 3.455 590 515 A 48 VAL HGx% A 56 THR HG2% 1.0 1.749 3.417 591 516 A 50 THR HG2% A 48 VAL HGx% 1.0 1.620 2.890 592 517 A 46 VAL HGx% A 28 TYR HEx 1.0 1.802 3.680 593 518 A 48 VAL HB A 56 THR HG2% 1.0 1.705 3.221 594 519 A 43 THR HG2% A 44 PHE H 1.0 1.823 3.797 595 520 A 43 THR HG2% A 61 GLY H 1.0 1.861 4.031 596 521 A 43 THR HG2% A 43 THR HB 1.0 1.585 2.769 597 522 A 48 VAL HGx% A 49 ASN H 1.0 1.791 3.625 598 523 A 23 TRP HE3 A 48 VAL HGx% 1.0 1.675 3.103 599 524 A 48 VAL HGx% A 50 THR H 1.0 1.792 3.630 600 525 A 67 VAL HGx% A 67 VAL HB 1.0 1.579 2.751 601 526 A 56 THR HB A 56 THR HG2% 1.0 1.581 2.757 602 527 A 50 THR HG2% A 56 THR HG2% 1.0 1.579 2.751 603 528 A 31 VAL H A 31 VAL HGx% 1.0 1.687 3.151 604 529 A 31 VAL HGx% A 30 CYS HA 1.0 1.841 3.901 605 530 A 31 VAL HB A 31 VAL HGx% 1.0 1.507 2.519 606 531 A 50 THR HG2% A 50 THR H 1.0 1.604 2.836 607 532 A 70 ALA HB% A 70 ALA H 1.0 1.614 2.872 608 533 A 42 PHE HBy A 70 ALA HB% 1.0 1.711 3.247 609 534 A 67 VAL HA A 70 ALA HB% 1.0 1.551 2.659 610 535 A 70 ALA HB% A 44 PHE H 1.0 1.890 4.230 611 536 A 32 LYS H A 31 VAL HGy% 1.0 1.890 4.238 612 537 A 64 MET HA A 64 MET HE% 1.0 1.849 3.951 613 538 A 64 MET HE% A 73 SER HBy 1.0 1.643 2.977 614 538 A 64 MET HE% A 73 SER HBx 1.0 1.643 2.977 615 539 A 64 MET HGy A 64 MET HE% 1.0 1.662 3.052 616 540 A 25 MET HGx A 25 MET HE% 1.0 1.675 3.097 617 541 A 65 PRO HDx A 64 MET HE% 1.0 1.896 4.276 618 542 A 25 MET HA A 25 MET HE% 1.0 1.874 4.118 619 543 A 18 CYS HBy A 25 MET HE% 1.0 1.954 4.838 620 544 A 19 LEU HBx A 25 MET HE% 1.0 1.615 2.875 621 545 A 25 MET HE% A 19 LEU HDx% 1.0 1.590 2.786 622 546 A 72 ASP HA A 75 ALA HB% 1.0 1.708 3.236 623 547 A 75 ALA HA A 75 ALA HB% 1.0 1.590 2.788 624 548 A 37 ALA HB% A 37 ALA H 1.0 1.913 4.415 625 549 A 74 ALA HB% A 75 ALA H 1.0 1.593 2.799 626 550 A 74 ALA HB% A 74 ALA H 1.0 1.637 2.957 627 551 A 28 TYR HDx A 74 ALA HB% 1.0 1.911 4.405 628 552 A 28 TYR HEx A 74 ALA HB% 1.0 1.879 4.151 629 553 A 74 ALA HB% A 45 GLY HAy 1.0 1.877 4.139 630 554 A 74 ALA HB% A 60 ILE HA 1.0 1.885 4.195 631 555 A 74 ALA HB% A 46 VAL HGy% 1.0 1.559 2.687 632 556 A 60 ILE HG2% A 61 GLY H 1.0 1.714 3.264 633 557 A 60 ILE HG2% A 60 ILE HB 1.0 1.526 2.580 634 558 A 60 ILE HG2% A 60 ILE HG1y 1.0 1.703 3.213 635 559 A 36 PRO HDx A 39 ALA HB% 1.0 1.720 3.288 636 559 A 36 PRO HDy A 39 ALA HB% 1.0 1.720 3.288 637 560 A 60 ILE HD1% A 60 ILE H 1.0 1.856 3.992 638 561 A 60 ILE HA A 60 ILE HD1% 1.0 1.867 4.073 639 562 A 60 ILE HD1% A 60 ILE HB 1.0 1.650 3.004 640 563 A 26 PRO HDx A 26 PRO HGy 1.0 1.720 3.290 641 564 A 26 PRO HDx A 25 MET HA 1.0 1.668 3.074 642 565 A 63 PRO HDy A 63 PRO HBy 1.0 1.645 2.985 643 566 A 55 TRP HA A 56 THR H 1.0 1.584 2.766 644 567 A 55 TRP HBx A 55 TRP HA 1.0 1.771 3.523 645 568 A 49 ASN HA A 49 ASN H 1.0 1.889 4.229 646 569 A 45 GLY HAy A 60 ILE HD1% 1.0 1.819 3.777 647 570 A 47 ARG HBx A 55 TRP HE3 1.0 1.877 4.137 648 571 A 48 VAL HGy% A 26 PRO HBy 1.0 1.825 3.807 649 572 A 43 THR HB A 31 VAL H 1.0 1.996 5.620 650 573 A 31 VAL H A 30 CYS HBx 1.0 1.993 5.505 651 574 A 31 VAL H A 31 VAL HB 1.0 1.805 3.697 652 575 A 44 PHE HA A 44 PHE H 1.0 1.950 4.780 653 576 A 43 THR HA A 44 PHE H 1.0 1.772 3.530 654 577 A 43 THR HB A 44 PHE H 1.0 1.987 5.373 655 578 A 74 ALA HB% A 44 PHE H 1.0 1.958 4.884 656 579 A 55 TRP HZ2 A 55 TRP HE1 1.0 1.718 3.276 657 580 A 55 TRP HD1 A 55 TRP HE1 1.0 1.712 3.252 658 581 A 55 TRP HBx A 55 TRP HE1 1.0 1.994 5.572 659 582 A 38 HIS HA A 39 ALA H 1.0 1.969 5.045 660 583 A 39 ALA HB% A 39 ALA H 1.0 1.895 4.277 661 584 A 50 THR H A 49 ASN H 1.0 1.964 4.968 662 585 A 55 TRP HZ3 A 49 ASN H 1.0 1.973 5.093 663 586 A 48 VAL HA A 49 ASN H 1.0 1.687 3.147 664 587 A 49 ASN HBy A 49 ASN H 1.0 1.779 3.565 665 588 A 48 VAL HB A 49 ASN H 1.0 1.890 4.234 666 589 A 49 ASN HBx A 49 ASN H 1.0 1.832 3.846 667 590 A 45 GLY HAy A 59 CYS H 1.0 1.998 5.712 668 591 A 58 GLU HA A 59 CYS H 1.0 1.660 3.044 669 592 A 58 GLU HBy A 59 CYS H 1.0 1.893 4.257 670 593 A 58 GLU HGy A 59 CYS H 1.0 1.740 3.378 671 593 A 58 GLU HGx A 59 CYS H 1.0 1.740 3.378 672 594 A 58 GLU HBx A 59 CYS H 1.0 1.860 4.020 673 595 A 78 LEU HDy% A 59 CYS H 1.0 1.917 4.453 674 595 A 78 LEU HDx% A 59 CYS H 1.0 1.917 4.453 675 596 A 60 ILE HA A 60 ILE H 1.0 1.649 2.997 676 597 A 60 ILE H A 58 GLU HBy 1.0 2.000 6.100 677 598 A 60 ILE H A 60 ILE HG1y 1.0 1.827 3.821 678 599 A 60 ILE HG2% A 60 ILE H 1.0 1.784 3.588 679 600 A 45 GLY HAy A 60 ILE H 1.0 1.998 6.232 680 601 A 59 CYS H A 59 CYS HA 1.0 1.852 3.970 681 602 A 32 LYS HBx A 33 GLU H 1.0 1.866 4.062 682 603 A 33 GLU H A 32 LYS HGy 1.0 1.907 4.367 683 604 A 33 GLU H A 32 LYS HGx 1.0 1.908 4.374 684 605 A 23 TRP HE1 A 52 ASP H 1.0 1.991 5.489 685 606 A 23 TRP HZ2 A 23 TRP HE1 1.0 1.817 3.761 686 607 A 23 TRP HD1 A 23 TRP HE1 1.0 1.777 3.553 687 608 A 23 TRP HE1 A 51 SER H 1.0 1.694 3.176 688 609 A 23 TRP HE1 A 23 TRP HA 1.0 1.972 5.086 689 610 A 50 THR HB A 23 TRP HE1 1.0 1.923 4.507 690 611 A 46 VAL HA A 28 TYR H 1.0 1.995 5.605 691 612 A 28 TYR H A 27 SER HA 1.0 1.581 2.757 692 613 A 46 VAL HGx% A 28 TYR H 1.0 1.994 5.568 693 614 A 67 VAL HA A 67 VAL H 1.0 2.000 6.008 694 615 A 66 SER HA A 67 VAL H 1.0 1.914 4.432 695 616 A 67 VAL HB A 67 VAL H 1.0 1.944 4.716 696 617 A 67 VAL HGx% A 67 VAL H 1.0 1.908 4.378 697 618 A 68 LYS H A 70 ALA H 1.0 1.895 4.271 698 619 A 70 ALA H A 66 SER H 1.0 1.897 4.291 699 620 A 70 ALA HA A 70 ALA H 1.0 1.770 3.518 700 621 A 68 LYS HA A 70 ALA H 1.0 1.993 5.545 701 622 A 67 VAL HA A 70 ALA H 1.0 1.835 3.865 702 623 A 64 MET H A 66 SER H 1.0 1.983 5.277 703 624 A 70 ALA HA A 64 MET H 1.0 1.960 4.908 704 625 A 64 MET H A 65 PRO HDx 1.0 1.977 5.165 705 626 A 64 MET H A 64 MET HGy 1.0 1.878 4.150 706 627 A 64 MET H A 64 MET HGx 1.0 1.887 4.211 707 628 A 64 MET H A 70 ALA HB% 1.0 1.832 3.848 708 629 A 64 MET H A 63 PRO HBx 1.0 1.872 4.104 709 630 A 55 TRP HD1 A 55 TRP H 1.0 1.807 3.707 710 631 A 50 THR H A 55 TRP H 1.0 1.978 5.172 711 632 A 55 TRP HA A 55 TRP H 1.0 1.837 3.881 712 633 A 55 TRP HBy A 55 TRP H 1.0 1.770 3.514 713 634 A 55 TRP HBx A 55 TRP H 1.0 1.673 3.093 714 635 A 58 GLU H A 58 GLU HA 1.0 1.569 2.717 715 636 A 57 ASP HBy A 58 GLU H 1.0 1.772 3.526 716 637 A 58 GLU H A 58 GLU HBy 1.0 1.727 3.315 717 638 A 58 GLU H A 58 GLU HBx 1.0 1.732 3.338 718 639 A 47 ARG H A 27 SER H 1.0 1.880 4.162 719 640 A 28 TYR HA A 47 ARG H 1.0 1.941 4.687 720 641 A 46 VAL HGy% A 47 ARG H 1.0 1.908 4.372 721 642 A 78 LEU H A 77 LEU HA 1.0 1.949 4.781 722 643 A 78 LEU H A 77 LEU HBx 1.0 1.923 7.657 723 644 A 78 LEU H A 78 LEU HBx 1.0 1.732 3.342 724 645 A 47 ARG H A 48 VAL HA 1.0 1.934 4.614 725 646 A 40 LYS H A 40 LYS HBy 1.0 1.635 2.947 726 647 A 40 LYS H A 40 LYS HBx 1.0 1.695 3.181 727 648 A 39 ALA HB% A 40 LYS H 1.0 1.824 3.802 728 649 A 17 ILE H A 16 ASP HBy 1.0 1.811 3.733 729 650 A 17 ILE H A 17 ILE HG1y 1.0 1.734 3.348 730 651 A 46 VAL H A 59 CYS H 1.0 1.795 3.645 731 652 A 46 VAL HA A 46 VAL H 1.0 1.846 3.938 732 653 A 60 ILE HA A 46 VAL H 1.0 1.909 4.377 733 654 A 46 VAL H A 58 GLU HA 1.0 1.942 4.692 734 655 A 46 VAL H A 45 GLY HAx 1.0 1.735 3.351 735 656 A 46 VAL H A 58 GLU HGy 1.0 1.756 3.448 736 656 A 46 VAL H A 58 GLU HGx 1.0 1.756 3.448 737 657 A 46 VAL HGy% A 46 VAL H 1.0 1.656 3.024 738 658 A 46 VAL HGx% A 46 VAL H 1.0 1.918 4.468 739 659 A 78 LEU HA A 81 LEU H 1.0 1.867 4.069 740 660 A 81 LEU HA A 81 LEU H 1.0 1.706 3.224 741 661 A 79 LEU HA A 81 LEU H 1.0 1.969 5.035 742 662 A 29 ARG HA A 29 ARG H 1.0 1.861 4.029 743 663 A 29 ARG H A 29 ARG HBy 1.0 1.833 3.857 744 664 A 29 ARG H A 29 ARG HGy 1.0 1.962 4.946 745 665 A 29 ARG H A 29 ARG HGx 1.0 1.935 4.617 746 666 A 46 VAL HGx% A 29 ARG H 1.0 1.991 5.479 747 667 A 23 TRP HBx A 23 TRP H 1.0 1.687 3.149 748 668 A 21 LYS HBx A 23 TRP H 1.0 1.844 3.922 749 669 A 79 LEU H A 79 LEU HBy 1.0 1.686 3.142 750 670 A 37 ALA H A 37 ALA HA 1.0 1.977 5.177 751 671 A 71 LYS H A 68 LYS HA 1.0 1.930 4.576 752 672 A 67 VAL HA A 71 LYS H 1.0 1.900 4.314 753 673 A 71 LYS H A 70 ALA HB% 1.0 1.770 3.520 754 674 A 71 LYS HBy A 71 LYS H 1.0 1.743 3.393 755 675 A 71 LYS HBx A 71 LYS H 1.0 1.830 3.838 756 676 A 71 LYS H A 71 LYS HGy 1.0 1.790 3.620 757 677 A 71 LYS HGx A 71 LYS H 1.0 1.862 4.036 758 678 A 63 PRO HA A 42 PHE H 1.0 1.971 5.065 759 679 A 42 PHE H A 41 ARG HBy 1.0 1.951 4.789 760 680 A 42 PHE HA A 42 PHE H 1.0 1.917 4.455 761 681 A 41 ARG HA A 42 PHE H 1.0 1.754 3.444 762 682 A 42 PHE HBy A 42 PHE H 1.0 1.922 4.494 763 683 A 41 ARG HBx A 42 PHE H 1.0 1.901 4.325 764 684 A 85 THR H A 85 THR HA 1.0 1.678 3.114 765 685 A 85 THR H A 85 THR HG2% 1.0 1.849 3.949 766 686 A 84 LYS HA A 84 LYS H 1.0 1.750 3.422 767 687 A 82 LEU HA A 84 LYS H 1.0 1.817 3.763 768 688 A 84 LYS H A 83 ASN HBx 1.0 1.882 4.174 769 689 A 84 LYS H A 84 LYS HBx 1.0 1.626 2.916 770 690 A 84 LYS HGx A 84 LYS H 1.0 1.757 3.453 771 691 A 82 LEU HDx% A 84 LYS H 1.0 1.963 4.949 772 692 A 74 ALA H A 75 ALA H 1.0 1.715 3.265 773 693 A 74 ALA H A 61 GLY HAx 1.0 1.907 4.369 774 694 A 56 THR HB A 57 ASP H 1.0 1.702 3.210 775 695 A 57 ASP H A 57 ASP HBy 1.0 1.822 3.790 776 696 A 57 ASP H A 56 THR HG2% 1.0 1.837 3.877 777 697 A 79 LEU H A 77 LEU H 1.0 1.952 4.806 778 698 A 77 LEU H A 77 LEU HA 1.0 1.810 3.726 779 699 A 75 ALA HA A 77 LEU H 1.0 1.924 4.512 780 700 A 76 VAL HA A 77 LEU H 1.0 1.945 4.729 781 701 A 77 LEU H A 77 LEU HG 1.0 1.722 3.298 782 702 A 77 LEU H A 75 ALA HB% 1.0 1.922 4.506 783 703 A 40 LYS HA A 41 ARG H 1.0 1.911 4.405 784 704 A 41 ARG HA A 41 ARG H 1.0 1.874 4.120 785 705 A 39 ALA HA A 41 ARG H 1.0 1.943 4.703 786 706 A 41 ARG HBx A 41 ARG H 1.0 1.942 4.700 787 707 A 71 LYS H A 72 ASP H 1.0 1.738 3.364 788 708 A 72 ASP H A 72 ASP HA 1.0 1.738 3.370 789 709 A 69 LYS HA A 72 ASP H 1.0 1.799 3.669 790 710 A 71 LYS HA A 72 ASP H 1.0 1.929 4.567 791 711 A 71 LYS HBy A 72 ASP H 1.0 1.770 3.518 792 712 A 71 LYS HGx A 72 ASP H 1.0 1.987 5.365 793 713 A 68 LYS HA A 72 ASP H 1.0 1.971 5.065 794 714 A 71 LYS HBx A 72 ASP H 1.0 1.843 3.913 795 715 A 20 ARG H A 21 LYS H 1.0 1.686 3.142 796 716 A 20 ARG H A 16 ASP HA 1.0 1.917 4.449 797 717 A 20 ARG H A 19 LEU HA 1.0 1.870 4.088 798 718 A 17 ILE HA A 20 ARG H 1.0 1.858 4.010 799 719 A 20 ARG H A 19 LEU HBy 1.0 1.558 2.682 800 720 A 21 LYS HBx A 20 ARG H 1.0 1.931 4.581 801 721 A 82 LEU H A 81 LEU H 1.0 1.723 3.303 802 722 A 78 LEU HA A 82 LEU H 1.0 1.992 5.478 803 723 A 82 LEU HA A 82 LEU H 1.0 1.743 3.389 804 724 A 79 LEU HA A 82 LEU H 1.0 1.892 4.250 805 725 A 82 LEU H A 82 LEU HBy 1.0 1.583 2.763 806 726 A 82 LEU HG A 82 LEU H 1.0 1.868 4.076 807 727 A 82 LEU HBx A 82 LEU H 1.0 1.775 3.539 808 728 A 85 THR HG2% A 82 LEU H 1.0 1.914 4.430 809 729 A 82 LEU HDx% A 82 LEU H 1.0 1.746 3.402 810 730 A 16 ASP HA A 19 LEU H 1.0 1.851 3.965 811 731 A 19 LEU H A 18 CYS HBy 1.0 1.821 3.783 812 732 A 67 VAL HA A 68 LYS H 1.0 1.868 4.082 813 733 A 19 LEU H A 18 CYS H 1.0 1.779 3.565 814 734 A 18 CYS HA A 19 LEU H 1.0 1.896 4.278 815 735 A 19 LEU H A 18 CYS HBx 1.0 1.866 4.066 816 736 A 19 LEU H A 25 MET HE% 1.0 1.985 5.331 817 737 A 19 LEU H A 19 LEU HBx 1.0 1.589 2.787 818 738 A 44 PHE HA A 32 LYS H 1.0 1.947 4.749 819 739 A 43 THR HB A 32 LYS H 1.0 1.751 3.429 820 740 A 32 LYS H A 30 CYS HA 1.0 1.882 4.170 821 741 A 43 THR HG2% A 32 LYS H 1.0 1.887 4.213 822 742 A 31 VAL HGx% A 32 LYS H 1.0 1.825 3.813 823 743 A 68 LYS H A 68 LYS HGy 1.0 1.840 3.896 824 744 A 67 VAL HGx% A 68 LYS H 1.0 1.866 4.060 825 745 A 71 LYS HA A 75 ALA H 1.0 1.960 4.900 826 746 A 53 ARG HA A 53 ARG H 1.0 1.802 3.680 827 747 A 50 THR HG2% A 53 ARG H 1.0 1.946 4.732 828 748 A 43 THR HA A 43 THR H 1.0 1.908 4.384 829 749 A 43 THR H A 42 PHE HBx 1.0 1.951 4.801 830 750 A 43 THR HG2% A 43 THR H 1.0 1.946 4.744 831 751 A 42 PHE HBy A 43 THR H 1.0 1.916 4.442 832 752 A 43 THR H A 70 ALA HB% 1.0 1.973 5.095 833 753 A 43 THR H A 32 LYS HBx 1.0 1.897 4.285 834 754 A 75 ALA H A 72 ASP HA 1.0 1.910 4.392 835 755 A 46 VAL HGy% A 75 ALA H 1.0 1.901 4.323 836 756 A 18 CYS HA A 18 CYS H 1.0 1.852 3.970 837 757 A 17 ILE HA A 18 CYS H 1.0 1.939 4.659 838 758 A 17 ILE HB A 18 CYS H 1.0 1.789 3.609 839 759 A 18 CYS H A 19 LEU HBy 1.0 1.945 4.729 840 760 A 18 CYS H A 82 LEU HDy% 1.0 1.932 4.594 841 761 A 17 ILE HD1% A 18 CYS H 1.0 1.827 3.817 842 762 A 51 SER H A 52 ASP H 1.0 1.899 4.301 843 763 A 52 ASP HA A 52 ASP H 1.0 1.871 4.103 844 764 A 50 THR HB A 52 ASP H 1.0 1.904 4.346 845 765 A 50 THR HA A 52 ASP H 1.0 1.984 5.316 846 766 A 50 THR HG2% A 52 ASP H 1.0 1.993 5.543 847 767 A 48 VAL HA A 48 VAL H 1.0 1.903 4.335 848 768 A 48 VAL HB A 48 VAL H 1.0 1.763 3.487 849 769 A 56 THR HG2% A 48 VAL H 1.0 1.805 3.699 850 770 A 48 VAL H A 78 LEU HDx% 1.0 1.858 4.010 851 771 A 50 THR HG2% A 48 VAL H 1.0 1.966 5.000 852 772 A 80 GLU H A 78 LEU HA 1.0 1.999 6.197 853 773 A 80 GLU H A 77 LEU HA 1.0 1.894 4.264 854 774 A 80 GLU HA A 80 GLU H 1.0 1.773 3.533 855 775 A 80 GLU H A 80 GLU HBy 1.0 1.669 3.075 856 776 A 79 LEU HBy A 80 GLU H 1.0 1.813 3.741 857 777 A 55 TRP HZ3 A 27 SER H 1.0 1.986 5.346 858 778 A 46 VAL HA A 27 SER H 1.0 1.992 5.504 859 779 A 27 SER H A 27 SER HA 1.0 1.814 3.746 860 780 A 26 PRO HBy A 27 SER H 1.0 1.815 3.751 861 781 A 27 SER H A 26 PRO HBx 1.0 1.878 4.146 862 782 A 48 VAL HGy% A 27 SER H 1.0 1.913 4.421 863 783 A 46 VAL HGx% A 27 SER H 1.0 1.885 4.193 864 784 A 78 LEU HDy% A 27 SER H 1.0 1.998 5.794 865 784 A 27 SER H A 78 LEU HDx% 1.0 1.998 5.794 866 785 A 24 PRO HA A 25 MET H 1.0 1.607 2.849 867 786 A 25 MET HBx A 25 MET H 1.0 1.627 2.921 868 787 A 83 ASN H A 84 LYS H 1.0 1.727 3.317 869 788 A 83 ASN H A 83 ASN HA 1.0 1.773 3.533 870 789 A 82 LEU HA A 83 ASN H 1.0 1.825 3.805 871 790 A 83 ASN H A 79 LEU HA 1.0 1.963 4.939 872 791 A 83 ASN H A 82 LEU HBy 1.0 1.783 3.581 873 792 A 82 LEU HBx A 83 ASN H 1.0 1.864 4.056 874 793 A 82 LEU HDx% A 83 ASN H 1.0 1.904 4.346 875 794 A 22 ASN HA A 21 LYS H 1.0 1.951 4.797 876 795 A 21 LYS H A 19 LEU HA 1.0 1.991 5.463 877 796 A 17 ILE HA A 21 LYS H 1.0 1.966 4.984 878 797 A 21 LYS HDy A 21 LYS H 1.0 2.000 5.904 879 798 A 21 LYS HBx A 21 LYS H 1.0 1.635 2.947 880 799 A 76 VAL H A 75 ALA H 1.0 1.797 3.655 881 800 A 76 VAL H A 77 LEU H 1.0 1.788 3.604 882 801 A 76 VAL H A 75 ALA HA 1.0 1.915 4.439 883 802 A 76 VAL H A 75 ALA HB% 1.0 1.765 3.493 884 803 A 76 VAL H A 73 SER HA 1.0 1.895 4.277 885 804 A 68 LYS HA A 69 LYS H 1.0 1.943 4.703 886 805 A 67 VAL HA A 69 LYS H 1.0 1.978 5.182 887 806 A 69 LYS H A 68 LYS HBy 1.0 1.673 3.093 888 807 A 69 LYS H A 69 LYS HGy 1.0 1.675 3.101 889 807 A 69 LYS H A 69 LYS HGx 1.0 1.675 3.101 890 808 A 74 ALA H A 62 GLU H 1.0 1.983 5.289 891 809 A 62 GLU HA A 62 GLU H 1.0 1.844 3.918 892 810 A 62 GLU H A 61 GLY HAx 1.0 1.690 3.158 893 811 A 62 GLU HBy A 62 GLU H 1.0 1.805 3.697 894 812 A 62 GLU H A 62 GLU HBx 1.0 1.718 3.278 895 813 A 20 ARG HA A 22 ASN H 1.0 1.852 3.970 896 814 A 21 LYS HA A 22 ASN H 1.0 1.807 3.707 897 815 A 22 ASN HBx A 22 ASN H 1.0 1.791 3.621 898 816 A 22 ASN H A 20 ARG HGy 1.0 1.946 4.740 899 816 A 22 ASN H A 20 ARG HGx 1.0 1.946 4.740 900 817 A 21 LYS HDx A 22 ASN H 1.0 1.956 4.854 901 818 A 21 LYS HBx A 22 ASN H 1.0 1.832 3.850 902 819 A 55 TRP HE3 A 56 THR H 1.0 1.910 4.390 903 820 A 56 THR HB A 56 THR H 1.0 1.865 4.057 904 821 A 49 ASN HA A 56 THR H 1.0 1.840 3.896 905 822 A 55 TRP HBy A 56 THR H 1.0 1.860 4.022 906 823 A 55 TRP HBx A 56 THR H 1.0 1.915 4.443 907 824 A 47 ARG HBy A 56 THR H 1.0 1.935 4.619 908 825 A 48 VAL HB A 56 THR H 1.0 1.964 4.970 909 826 A 56 THR H A 56 THR HG2% 1.0 1.645 2.987 910 827 A 50 THR HG2% A 56 THR H 1.0 1.920 4.474 911 828 A 51 SER H A 53 ARG H 1.0 1.943 4.713 912 829 A 56 THR HG2% A 50 THR H 1.0 1.908 4.376 913 830 A 61 GLY H A 45 GLY HAy 1.0 1.903 4.333 914 831 A 60 ILE HA A 61 GLY H 1.0 1.715 3.261 915 832 A 61 GLY H A 45 GLY HAx 1.0 1.958 4.882 916 833 A 61 GLY H A 60 ILE HB 1.0 1.970 5.058 917 834 A 74 ALA HB% A 61 GLY H 1.0 1.770 3.520 918 835 A 61 GLY H A 60 ILE HD1% 1.0 1.886 4.200 919 836 A 73 SER H A 75 ALA H 1.0 1.978 5.184 920 837 A 73 SER H A 74 ALA H 1.0 1.805 3.699 921 838 A 73 SER H A 64 MET HE% 1.0 1.981 5.233 922 839 A 34 GLY H A 34 GLY HAx 1.0 1.832 3.848 923 840 A 54 GLY H A 53 ARG H 1.0 1.661 3.047 924 841 A 54 GLY H A 50 THR H 1.0 1.870 4.090 925 842 A 50 THR HB A 54 GLY H 1.0 1.901 4.313 926 843 A 53 ARG HBy A 54 GLY H 1.0 1.961 4.917 927 844 A 54 GLY H A 53 ARG HBx 1.0 1.906 4.362 928 845 A 50 THR HG2% A 54 GLY H 1.0 1.959 4.891 929 846 A 64 MET HA A 66 SER H 1.0 1.962 4.932 930 847 A 65 PRO HA A 66 SER H 1.0 1.856 3.998 931 848 A 66 SER HA A 66 SER H 1.0 1.828 3.826 932 849 A 66 SER HBy A 66 SER H 1.0 1.884 4.190 933 850 A 66 SER HBx A 66 SER H 1.0 1.883 4.185 934 851 A 65 PRO HDx A 66 SER H 1.0 1.847 3.941 935 852 A 65 PRO HBx A 66 SER H 1.0 1.954 4.834 936 853 A 66 SER H A 64 MET HBx 1.0 1.678 3.112 937 854 A 66 SER H A 69 LYS HGy 1.0 1.852 3.972 938 854 A 66 SER H A 69 LYS HGx 1.0 1.852 3.972 939 855 A 45 GLY H A 45 GLY HAy 1.0 1.857 4.005 940 856 A 74 ALA HB% A 45 GLY H 1.0 1.947 4.747 941 857 A 31 VAL H A 32 LYS HA 1.0 2.000 6.052 942 858 A 43 THR H A 44 PHE H 1.0 2.000 5.958 943 859 A 45 GLY H A 44 PHE H 1.0 1.999 5.875 944 860 A 55 TRP H A 55 TRP HE1 1.0 1.999 5.783 945 861 A 36 PRO HDy A 39 ALA H 1.0 1.995 5.577 946 861 A 36 PRO HDx A 39 ALA H 1.0 1.995 5.577 947 862 A 40 LYS HA A 39 ALA H 1.0 2.000 5.914 948 863 A 40 LYS H A 39 ALA H 1.0 1.882 4.174 949 864 A 50 THR HG2% A 23 TRP HE1 1.0 1.970 5.054 950 865 A 21 LYS HBy A 23 TRP HE1 1.0 1.846 3.936 951 866 A 21 LYS HDy A 23 TRP HE1 1.0 1.990 6.564 952 867 A 21 LYS HEy A 23 TRP HE1 1.0 1.996 5.656 953 868 A 23 TRP HE1 A 21 LYS HA 1.0 1.996 5.622 954 869 A 28 TYR H A 29 ARG HBx 1.0 1.995 5.583 955 870 A 47 ARG H A 28 TYR H 1.0 1.991 6.547 956 871 A 28 TYR H A 27 SER H 1.0 1.960 4.906 957 872 A 28 TYR H A 29 ARG H 1.0 1.946 4.746 958 873 A 66 SER HBx A 67 VAL H 1.0 1.999 6.109 959 874 A 66 SER HBy A 67 VAL H 1.0 2.000 6.018 960 875 A 68 LYS H A 67 VAL H 1.0 2.000 5.948 961 876 A 67 VAL HGx% A 70 ALA H 1.0 1.977 5.159 962 877 A 71 LYS HGy A 70 ALA H 1.0 1.996 5.666 963 878 A 69 LYS H A 70 ALA H 1.0 1.736 3.356 964 879 A 64 MET H A 70 ALA H 1.0 1.999 5.931 965 880 A 43 THR HG2% A 64 MET H 1.0 1.991 5.465 966 881 A 64 MET H A 41 ARG HBx 1.0 1.940 4.672 967 882 A 64 MET H A 41 ARG HBy 1.0 1.950 4.784 968 883 A 64 MET H A 65 PRO HDy 1.0 1.987 5.379 969 884 A 49 ASN HA A 55 TRP H 1.0 1.909 4.389 970 885 A 76 VAL HA A 78 LEU H 1.0 1.998 5.732 971 886 A 78 LEU H A 77 LEU H 1.0 1.763 3.487 972 887 A 79 LEU H A 78 LEU H 1.0 1.764 3.486 973 888 A 38 HIS HBx A 40 LYS H 1.0 2.000 6.108 974 889 A 17 ILE H A 17 ILE HD1% 1.0 1.785 3.593 975 890 A 74 ALA HB% A 46 VAL H 1.0 1.753 3.439 976 891 A 47 ARG H A 46 VAL H 1.0 1.984 5.304 977 892 A 45 GLY H A 46 VAL H 1.0 1.948 4.764 978 893 A 80 GLU HBx A 81 LEU H 1.0 1.799 3.663 979 894 A 31 VAL HGx% A 29 ARG H 1.0 1.983 5.267 980 895 A 29 ARG H A 44 PHE HBy 1.0 1.920 4.476 981 895 A 29 ARG H A 44 PHE HBx 1.0 1.920 4.476 982 896 A 29 ARG H A 45 GLY HAx 1.0 1.996 5.658 983 897 A 27 SER HA A 29 ARG H 1.0 1.998 5.792 984 898 A 70 ALA HB% A 42 PHE H 1.0 1.980 5.202 985 899 A 42 PHE HBx A 42 PHE H 1.0 1.865 4.059 986 900 A 42 PHE H A 41 ARG H 1.0 1.995 5.599 987 901 A 79 LEU H A 79 LEU HBx 1.0 1.745 3.397 988 902 A 19 LEU HA A 23 TRP H 1.0 1.890 4.236 989 903 A 79 LEU H A 78 LEU HA 1.0 1.969 5.035 990 904 A 72 ASP H A 71 LYS HGy 1.0 1.969 5.049 991 905 A 73 SER H A 72 ASP H 1.0 1.769 3.513 992 906 A 83 ASN H A 82 LEU H 1.0 1.793 3.629 993 907 A 68 LYS H A 69 LYS H 1.0 1.866 4.062 994 908 A 53 ARG HBy A 53 ARG H 1.0 1.897 4.285 995 909 A 52 ASP HBx A 53 ARG H 1.0 1.915 4.439 996 910 A 50 THR HB A 53 ARG H 1.0 1.893 4.257 997 911 A 52 ASP H A 53 ARG H 1.0 1.781 3.569 998 912 A 32 LYS H A 33 GLU H 1.0 1.969 5.037 999 913 A 31 VAL H A 32 LYS H 1.0 1.683 3.133 1000 914 A 43 THR H A 32 LYS H 1.0 1.829 3.837 1001 915 A 32 LYS H A 45 GLY H 1.0 1.992 5.518 1002 916 A 75 ALA H A 75 ALA HB% 1.0 1.614 2.870 1003 917 A 75 ALA H A 77 LEU H 1.0 1.990 5.442 1004 918 A 46 VAL HGx% A 75 ALA H 1.0 1.998 6.238 1005 919 A 43 THR H A 42 PHE H 1.0 1.974 5.108 1006 920 A 80 GLU H A 79 LEU HBx 1.0 1.848 3.946 1007 921 A 76 VAL HA A 80 GLU H 1.0 1.980 5.220 1008 922 A 80 GLU H A 77 LEU H 1.0 1.995 5.611 1009 923 A 79 LEU H A 80 GLU H 1.0 1.813 3.743 1010 924 A 55 TRP HE3 A 48 VAL H 1.0 1.970 5.050 1011 925 A 53 ARG HBx A 52 ASP H 1.0 2.000 6.008 1012 926 A 21 LYS H A 23 TRP H 1.0 1.954 4.836 1013 927 A 25 MET HA A 25 MET H 1.0 1.845 3.933 1014 928 A 68 LYS HGx A 69 LYS H 1.0 1.927 4.547 1015 929 A 66 SER HBx A 69 LYS H 1.0 1.983 5.289 1016 930 A 69 LYS H A 66 SER H 1.0 1.951 4.799 1017 931 A 22 ASN H A 23 TRP HA 1.0 2.000 5.932 1018 932 A 20 ARG H A 22 ASN H 1.0 1.929 4.561 1019 933 A 23 TRP H A 22 ASN H 1.0 1.666 3.062 1020 934 A 64 MET HGx A 62 GLU H 1.0 2.000 6.108 1021 935 A 64 MET HGy A 62 GLU H 1.0 1.997 5.699 1022 936 A 61 GLY H A 62 GLU H 1.0 1.940 4.668 1023 937 A 49 ASN HBx A 50 THR H 1.0 1.905 4.349 1024 938 A 50 THR H A 54 GLY HAx 1.0 1.936 4.626 1025 939 A 56 THR H A 50 THR H 1.0 1.920 4.482 1026 940 A 56 THR H A 49 ASN HBx 1.0 1.990 6.582 1027 941 A 47 ARG HDy A 56 THR H 1.0 1.988 5.408 1028 941 A 47 ARG HDx A 56 THR H 1.0 1.988 5.408 1029 942 A 56 THR H A 48 VAL H 1.0 1.830 3.842 1030 943 A 56 THR H A 55 TRP H 1.0 1.946 4.732 1031 944 A 61 GLY H A 44 PHE HBy 1.0 2.000 5.878 1032 944 A 61 GLY H A 44 PHE HBx 1.0 2.000 5.878 1033 945 A 61 GLY H A 44 PHE H 1.0 1.983 5.285 1034 946 A 73 SER H A 76 VAL HGy% 1.0 1.988 5.392 1035 947 A 34 GLY H A 40 LYS HGy 1.0 1.961 4.921 1036 948 A 40 LYS HEx A 34 GLY H 1.0 1.998 6.252 1037 949 A 40 LYS HA A 34 GLY H 1.0 1.991 5.477 1038 950 A 42 PHE HA A 34 GLY H 1.0 1.975 5.125 1039 951 A 50 THR HA A 54 GLY H 1.0 1.996 5.648 1040 952 A 54 GLY H A 55 TRP H 1.0 1.927 4.541 1041 953 A 54 GLY H A 52 ASP H 1.0 1.969 5.035 1042 954 A 67 VAL HGx% A 66 SER H 1.0 1.999 5.811 1043 955 A 66 SER H A 69 LYS HDy 1.0 1.733 3.345 1044 955 A 66 SER H A 69 LYS HDx 1.0 1.733 3.345 1045 956 A 65 PRO HBy A 66 SER H 1.0 1.992 5.494 1046 957 A 67 VAL H A 66 SER H 1.0 2.000 5.932 1047 958 A 29 ARG HA A 45 GLY H 1.0 2.000 5.910 1048 959 A 31 VAL H A 45 GLY H 1.0 1.923 4.505 1049 960 A 56 THR H A 57 ASP H 1.0 1.989 5.421 1050 961 A 23 TRP HE3 A 49 ASN HBy 1.0 1.994 5.594 1051 961 A 23 TRP HE3 A 82 LEU HBy 1.0 1.994 5.594 1052 961 A 23 TRP HE3 A 24 PRO HGy 1.0 1.994 5.594 1053 961 A 23 TRP HE3 A 24 PRO HGx 1.0 1.994 5.594 1054 962 A 23 TRP HE3 A 78 LEU HDy% 1.0 1.993 5.509 1055 962 A 23 TRP HE3 A 21 LYS HDy 1.0 1.993 5.509 1056 963 A 23 TRP HE3 A 82 LEU HDy% 1.0 1.892 4.244 1057 963 A 23 TRP HE3 A 82 LEU HDx% 1.0 1.892 4.244 1058 964 A 44 PHE HDy A 30 CYS HBx 1.0 1.992 5.502 1059 964 A 44 PHE HDx A 30 CYS HBx 1.0 1.992 5.502 1060 964 A 42 PHE HDy A 30 CYS HBx 1.0 1.992 5.502 1061 964 A 42 PHE HDx A 30 CYS HBx 1.0 1.992 5.502 1062 965 A 42 PHE HDx A 64 MET HE% 1.0 2.000 5.988 1063 965 A 28 TYR HDx A 25 MET HE% 1.0 2.000 5.988 1064 965 A 42 PHE HDy A 64 MET HE% 1.0 2.000 5.988 1065 965 A 28 TYR HDy A 25 MET HE% 1.0 2.000 5.988 1066 966 A 55 TRP HZ3 A 49 ASN HBy 1.0 2.000 5.966 1067 966 A 55 TRP HZ3 A 24 PRO HGy 1.0 2.000 5.966 1068 966 A 55 TRP HZ3 A 24 PRO HGx 1.0 2.000 5.966 1069 967 A 55 TRP HZ2 A 49 ASN HBy 1.0 1.977 5.171 1070 967 A 55 TRP HZ2 A 24 PRO HGy 1.0 1.977 5.171 1071 967 A 55 TRP HZ2 A 24 PRO HGx 1.0 1.977 5.171 1072 968 A 55 TRP HH2 A 49 ASN HBy 1.0 1.969 5.029 1073 968 A 55 TRP HH2 A 24 PRO HGy 1.0 1.969 5.029 1074 968 A 55 TRP HH2 A 24 PRO HGx 1.0 1.969 5.029 1075 969 A 23 TRP HD1 A 49 ASN HBy 1.0 1.984 5.306 1076 969 A 23 TRP HD1 A 24 PRO HGy 1.0 1.984 5.306 1077 969 A 23 TRP HD1 A 24 PRO HGx 1.0 1.984 5.306 1078 970 A 42 PHE HEy A 33 GLU HBx 1.0 1.843 3.915 1079 970 A 44 PHE HEx A 70 ALA HB% 1.0 1.843 3.915 1080 970 A 42 PHE HEx A 33 GLU HBx 1.0 1.843 3.915 1081 970 A 44 PHE HEy A 70 ALA HB% 1.0 1.843 3.915 1082 970 A 42 PHE HEx A 33 GLU HBy 1.0 1.843 3.915 1083 970 A 42 PHE HEy A 70 ALA HB% 1.0 1.843 3.915 1084 970 A 42 PHE HEx A 70 ALA HB% 1.0 1.843 3.915 1085 970 A 42 PHE HEy A 33 GLU HBy 1.0 1.843 3.915 1086 971 A 42 PHE HDx A 70 ALA HB% 1.0 1.630 2.930 1087 971 A 44 PHE HDx A 70 ALA HB% 1.0 1.630 2.930 1088 971 A 42 PHE HDy A 70 ALA HB% 1.0 1.630 2.930 1089 971 A 44 PHE HDy A 70 ALA HB% 1.0 1.630 2.930 1090 972 A 28 TYR HDy A 75 ALA HB% 1.0 1.756 3.450 1091 972 A 28 TYR HDx A 26 PRO HBy 1.0 1.756 3.450 1092 972 A 28 TYR HDx A 75 ALA HB% 1.0 1.756 3.450 1093 972 A 28 TYR HDy A 26 PRO HBy 1.0 1.756 3.450 1094 973 A 28 TYR HEy A 26 PRO HBy 1.0 1.735 3.353 1095 973 A 28 TYR HEy A 75 ALA HB% 1.0 1.735 3.353 1096 973 A 28 TYR HEx A 26 PRO HBy 1.0 1.735 3.353 1097 973 A 28 TYR HEx A 75 ALA HB% 1.0 1.735 3.353 1098 974 A 55 TRP HE3 A 48 VAL HB 1.0 1.927 4.547 1099 974 A 55 TRP HE3 A 47 ARG HGy 1.0 1.927 4.547 1100 975 A 44 PHE HEx A 47 ARG HGx 1.0 1.966 4.986 1101 975 A 44 PHE HEy A 47 ARG HGx 1.0 1.966 4.986 1102 975 A 42 PHE HEx A 67 VAL HB 1.0 1.966 4.986 1103 975 A 42 PHE HEy A 67 VAL HB 1.0 1.966 4.986 1104 975 A 42 PHE HEx A 69 LYS HGx 1.0 1.966 4.986 1105 975 A 42 PHE HEx A 69 LYS HGy 1.0 1.966 4.986 1106 975 A 42 PHE HEy A 69 LYS HGx 1.0 1.966 4.986 1107 975 A 42 PHE HEy A 69 LYS HGy 1.0 1.966 4.986 1108 976 A 28 TYR HDx A 26 PRO HBx 1.0 1.893 4.259 1109 976 A 42 PHE HDx A 69 LYS HGy 1.0 1.893 4.259 1110 976 A 42 PHE HDy A 69 LYS HGx 1.0 1.893 4.259 1111 976 A 28 TYR HDy A 26 PRO HBx 1.0 1.893 4.259 1112 976 A 42 PHE HDy A 69 LYS HGy 1.0 1.893 4.259 1113 976 A 42 PHE HDy A 67 VAL HB 1.0 1.893 4.259 1114 976 A 42 PHE HDx A 69 LYS HGx 1.0 1.893 4.259 1115 976 A 42 PHE HDx A 67 VAL HB 1.0 1.893 4.259 1116 977 A 42 PHE HDy A 41 ARG HBy 1.0 1.997 5.677 1117 977 A 42 PHE HDx A 41 ARG HBy 1.0 1.997 5.677 1118 977 A 28 TYR HDy A 78 LEU HBx 1.0 1.997 5.677 1119 977 A 28 TYR HDx A 78 LEU HBx 1.0 1.997 5.677 1120 978 A 42 PHE HDx A 40 LYS HGx 1.0 1.996 5.652 1121 978 A 42 PHE HDy A 40 LYS HBx 1.0 1.996 5.652 1122 978 A 42 PHE HDx A 40 LYS HBx 1.0 1.996 5.652 1123 978 A 42 PHE HDy A 40 LYS HGx 1.0 1.996 5.652 1124 979 A 23 TRP HZ3 A 78 LEU HDy% 1.0 1.965 4.989 1125 979 A 23 TRP HZ3 A 21 LYS HDy 1.0 1.965 4.989 1126 980 A 42 PHE HEy A 39 ALA HB% 1.0 1.995 5.637 1127 980 A 44 PHE HEx A 82 LEU HDy% 1.0 1.995 5.637 1128 980 A 44 PHE HEy A 82 LEU HDy% 1.0 1.995 5.637 1129 980 A 44 PHE HEx A 60 ILE HG2% 1.0 1.995 5.637 1130 980 A 44 PHE HEy A 60 ILE HG2% 1.0 1.995 5.637 1131 980 A 42 PHE HEx A 39 ALA HB% 1.0 1.995 5.637 1132 981 A 47 ARG HDy A 55 TRP HD1 1.0 1.921 4.489 1133 981 A 47 ARG HDx A 55 TRP HD1 1.0 1.921 4.489 1134 981 A 42 PHE HEy A 40 LYS HEy 1.0 1.921 4.489 1135 981 A 42 PHE HEx A 40 LYS HEy 1.0 1.921 4.489 1136 982 A 55 TRP HH2 A 48 VAL HA 1.0 1.998 5.800 1137 982 A 55 TRP HH2 A 27 SER HA 1.0 1.998 5.800 1138 983 A 28 TYR HEy A 72 ASP HA 1.0 1.987 5.377 1139 983 A 28 TYR HEx A 72 ASP HA 1.0 1.987 5.377 1140 983 A 28 TYR HEy A 26 PRO HA 1.0 1.987 5.377 1141 983 A 28 TYR HEx A 26 PRO HA 1.0 1.987 5.377 1142 984 A 55 TRP HD1 A 27 SER HBx 1.0 2.000 5.960 1143 984 A 44 PHE HEy A 27 SER HBx 1.0 2.000 5.960 1144 984 A 44 PHE HEx A 27 SER HBx 1.0 2.000 5.960 1145 985 A 42 PHE HDy A 42 PHE HEx 1.0 1.434 2.308 1146 985 A 42 PHE HDy A 42 PHE HEy 1.0 1.434 2.308 1147 985 A 44 PHE HDy A 44 PHE HEy 1.0 1.434 2.308 1148 985 A 42 PHE HDx A 42 PHE HEy 1.0 1.434 2.308 1149 985 A 44 PHE HDy A 44 PHE HEx 1.0 1.434 2.308 1150 985 A 42 PHE HDx A 42 PHE HEx 1.0 1.434 2.308 1151 985 A 44 PHE HDx A 44 PHE HEy 1.0 1.434 2.308 1152 985 A 44 PHE HDx A 44 PHE HEx 1.0 1.434 2.308 1153 986 A 44 PHE HEx A 73 SER HBx 1.0 1.971 5.063 1154 986 A 44 PHE HEy A 73 SER HBy 1.0 1.971 5.063 1155 986 A 44 PHE HEy A 73 SER HBx 1.0 1.971 5.063 1156 986 A 44 PHE HEy A 61 GLY HAx 1.0 1.971 5.063 1157 986 A 44 PHE HEx A 61 GLY HAx 1.0 1.971 5.063 1158 986 A 44 PHE HEx A 73 SER HBy 1.0 1.971 5.063 1159 987 A 44 PHE HDx A 46 VAL HGy% 1.0 1.930 4.576 1160 987 A 28 TYR HDx A 46 VAL HGy% 1.0 1.930 4.576 1161 987 A 44 PHE HDy A 46 VAL HGy% 1.0 1.930 4.576 1162 987 A 28 TYR HDy A 46 VAL HGy% 1.0 1.930 4.576 1163 988 A 76 VAL HA A 76 VAL HGx% 1.0 1.520 2.562 1164 988 A 76 VAL HA A 76 VAL HGy% 1.0 1.520 2.562 1165 989 A 76 VAL HA A 79 LEU HDx% 1.0 1.683 3.133 1166 989 A 76 VAL HA A 79 LEU HDy% 1.0 1.683 3.133 1167 990 A 65 PRO HA A 65 PRO HGx 1.0 1.789 3.609 1168 990 A 65 PRO HA A 65 PRO HGy 1.0 1.789 3.609 1169 991 A 85 THR HA A 84 LYS HBx 1.0 1.967 5.007 1170 991 A 85 THR HA A 84 LYS HBy 1.0 1.967 5.007 1171 992 A 51 SER HBy A 23 TRP HE1 1.0 1.833 3.855 1172 992 A 51 SER HBx A 23 TRP HE1 1.0 1.833 3.855 1173 993 A 23 TRP HD1 A 51 SER HBy 1.0 1.783 3.579 1174 993 A 23 TRP HD1 A 51 SER HBx 1.0 1.783 3.579 1175 994 A 73 SER H A 73 SER HBy 1.0 1.701 3.203 1176 994 A 73 SER H A 73 SER HBx 1.0 1.701 3.203 1177 995 A 51 SER HBx A 50 THR HA 1.0 1.855 3.989 1178 995 A 51 SER HBy A 50 THR HA 1.0 1.855 3.989 1179 996 A 69 LYS HA A 69 LYS HBy 1.0 1.633 2.941 1180 996 A 69 LYS HA A 69 LYS HBx 1.0 1.633 2.941 1181 997 A 20 ARG HA A 20 ARG HGy 1.0 1.524 2.572 1182 997 A 20 ARG HA A 20 ARG HGx 1.0 1.524 2.572 1183 998 A 79 LEU HA A 79 LEU HDy% 1.0 1.547 2.645 1184 998 A 79 LEU HA A 79 LEU HDx% 1.0 1.547 2.645 1185 999 A 19 LEU HA A 19 LEU HDy% 1.0 1.481 2.441 1186 999 A 19 LEU HA A 19 LEU HDx% 1.0 1.481 2.441 1187 1000 A 28 TYR HBx A 28 TYR HA 1.0 1.607 2.847 1188 1000 A 28 TYR HBy A 28 TYR HA 1.0 1.607 2.847 1189 1001 A 78 LEU HA A 82 LEU HDy% 1.0 1.699 3.195 1190 1001 A 78 LEU HA A 81 LEU HDy% 1.0 1.699 3.195 1191 1001 A 78 LEU HA A 81 LEU HDx% 1.0 1.699 3.195 1192 1002 A 16 ASP HA A 19 LEU HDy% 1.0 1.678 3.110 1193 1002 A 16 ASP HA A 19 LEU HDx% 1.0 1.678 3.110 1194 1003 A 84 LYS HA A 84 LYS HBx 1.0 1.489 2.465 1195 1003 A 84 LYS HA A 84 LYS HBy 1.0 1.489 2.465 1196 1004 A 15 ASN HBy A 15 ASN HA 1.0 1.504 2.512 1197 1004 A 15 ASN HBx A 15 ASN HA 1.0 1.504 2.512 1198 1005 A 44 PHE HA A 44 PHE HBy 1.0 1.581 2.759 1199 1005 A 44 PHE HA A 44 PHE HBx 1.0 1.581 2.759 1200 1006 A 33 GLU HA A 33 GLU HBx 1.0 1.611 2.861 1201 1006 A 33 GLU HA A 33 GLU HBy 1.0 1.611 2.861 1202 1007 A 47 ARG HBx A 47 ARG HA 1.0 1.519 2.555 1203 1007 A 47 ARG HBy A 47 ARG HA 1.0 1.519 2.555 1204 1008 A 53 ARG HA A 53 ARG HDy 1.0 1.896 4.274 1205 1008 A 53 ARG HA A 53 ARG HDx 1.0 1.896 4.274 1206 1009 A 64 MET HA A 64 MET HBx 1.0 1.588 2.780 1207 1009 A 64 MET HA A 64 MET HBy 1.0 1.588 2.780 1208 1010 A 65 PRO HDy A 65 PRO HGy 1.0 1.574 2.732 1209 1010 A 65 PRO HDy A 65 PRO HGx 1.0 1.574 2.732 1210 1011 A 24 PRO HDx A 24 PRO HGx 1.0 1.977 5.163 1211 1011 A 24 PRO HDx A 24 PRO HGy 1.0 1.977 5.163 1212 1012 A 36 PRO HDx A 35 GLY HAx 1.0 1.468 2.404 1213 1012 A 36 PRO HDy A 35 GLY HAx 1.0 1.468 2.404 1214 1013 A 53 ARG HBx A 53 ARG HDy 1.0 1.443 2.335 1215 1013 A 53 ARG HBx A 53 ARG HDx 1.0 1.443 2.335 1216 1014 A 44 PHE H A 44 PHE HBx 1.0 1.802 3.678 1217 1014 A 44 PHE H A 44 PHE HBy 1.0 1.802 3.678 1218 1015 A 71 LYS HA A 44 PHE HBy 1.0 1.834 3.860 1219 1015 A 71 LYS HA A 44 PHE HBx 1.0 1.834 3.860 1220 1016 A 68 LYS HEx A 68 LYS HDx 1.0 1.459 2.381 1221 1016 A 68 LYS HDy A 68 LYS HEx 1.0 1.459 2.381 1222 1016 A 68 LYS HEy A 68 LYS HDy 1.0 1.459 2.381 1223 1017 A 68 LYS HGy A 68 LYS HEy 1.0 1.678 3.110 1224 1017 A 68 LYS HGy A 68 LYS HEx 1.0 1.678 3.110 1225 1018 A 32 LYS HEx A 32 LYS HDy 1.0 1.458 2.376 1226 1018 A 32 LYS HEx A 32 LYS HDx 1.0 1.458 2.376 1227 1019 A 28 TYR HDx A 28 TYR HBx 1.0 1.524 2.576 1228 1019 A 28 TYR HDx A 28 TYR HBy 1.0 1.524 2.576 1229 1020 A 69 LYS HGy A 69 LYS HEx 1.0 1.997 5.673 1230 1020 A 69 LYS HGy A 69 LYS HEy 1.0 1.997 5.673 1231 1020 A 69 LYS HGx A 69 LYS HEx 1.0 1.997 5.673 1232 1021 A 69 LYS HDx A 69 LYS HEx 1.0 1.468 2.406 1233 1021 A 69 LYS HDy A 69 LYS HEx 1.0 1.468 2.406 1234 1021 A 69 LYS HDx A 69 LYS HEy 1.0 1.468 2.406 1235 1022 A 69 LYS HBx A 69 LYS HEy 1.0 1.699 3.197 1236 1022 A 69 LYS HBy A 69 LYS HEy 1.0 1.699 3.197 1237 1022 A 69 LYS HBx A 69 LYS HEx 1.0 1.699 3.197 1238 1023 A 68 LYS HGx A 68 LYS HEx 1.0 1.648 2.998 1239 1023 A 68 LYS HGx A 68 LYS HEy 1.0 1.648 2.998 1240 1024 A 40 LYS HDx A 40 LYS HEy 1.0 1.598 2.818 1241 1024 A 40 LYS HDy A 40 LYS HEy 1.0 1.598 2.818 1242 1025 A 40 LYS HDy A 40 LYS HEx 1.0 1.654 3.018 1243 1025 A 40 LYS HDx A 40 LYS HEx 1.0 1.654 3.018 1244 1026 A 81 LEU HBy A 81 LEU HDy% 1.0 1.527 2.581 1245 1026 A 81 LEU HBy A 81 LEU HDx% 1.0 1.527 2.581 1246 1027 A 79 LEU HBy A 79 LEU HDy% 1.0 1.643 2.975 1247 1027 A 79 LEU HBy A 79 LEU HDx% 1.0 1.643 2.975 1248 1028 A 19 LEU HBy A 19 LEU HDx% 1.0 1.575 2.739 1249 1028 A 19 LEU HBy A 19 LEU HDy% 1.0 1.575 2.739 1250 1029 A 77 LEU HBx A 59 CYS HBy 1.0 1.751 3.427 1251 1029 A 77 LEU HBx A 59 CYS HBx 1.0 1.751 3.427 1252 1030 A 82 LEU HBx A 82 LEU HDy% 1.0 1.463 2.393 1253 1030 A 82 LEU HDx% A 82 LEU HBx 1.0 1.463 2.393 1254 1031 A 78 LEU HBy A 79 LEU HDx% 1.0 1.710 3.244 1255 1031 A 78 LEU HBy A 79 LEU HDy% 1.0 1.710 3.244 1256 1032 A 78 LEU HBx A 78 LEU HDx% 1.0 1.559 2.683 1257 1032 A 78 LEU HDy% A 78 LEU HBx 1.0 1.559 2.683 1258 1033 A 70 ALA HA A 64 MET HBy 1.0 1.706 3.228 1259 1033 A 70 ALA HA A 64 MET HBx 1.0 1.706 3.228 1260 1034 A 64 MET HGy A 64 MET HBy 1.0 1.766 3.498 1261 1034 A 64 MET HGy A 64 MET HBx 1.0 1.766 3.498 1262 1035 A 58 GLU HGx A 59 CYS H 1.0 1.742 3.384 1263 1035 A 58 GLU HGy A 59 CYS H 1.0 1.742 3.384 1264 1036 A 58 GLU HGy A 58 GLU HA 1.0 1.687 3.147 1265 1036 A 58 GLU HGx A 58 GLU HA 1.0 1.687 3.147 1266 1037 A 58 GLU HGx A 58 GLU HBx 1.0 1.611 2.863 1267 1037 A 58 GLU HGy A 58 GLU HBx 1.0 1.611 2.863 1268 1038 A 33 GLU HGy A 33 GLU HA 1.0 1.786 3.598 1269 1038 A 33 GLU HGx A 33 GLU HA 1.0 1.786 3.598 1270 1039 A 47 ARG HBx A 47 ARG HDy 1.0 1.687 3.149 1271 1039 A 47 ARG HBy A 47 ARG HDy 1.0 1.687 3.149 1272 1039 A 47 ARG HBx A 47 ARG HDx 1.0 1.687 3.149 1273 1040 A 69 LYS HGx A 69 LYS HBx 1.0 1.995 6.413 1274 1040 A 69 LYS HGy A 69 LYS HBx 1.0 1.995 6.413 1275 1040 A 69 LYS HGx A 69 LYS HBy 1.0 1.995 6.413 1276 1041 A 64 MET HGx A 64 MET HBy 1.0 1.605 2.841 1277 1041 A 64 MET HGx A 64 MET HBx 1.0 1.605 2.841 1278 1042 A 36 PRO HDy A 36 PRO HBy 1.0 1.763 3.483 1279 1042 A 36 PRO HDx A 36 PRO HBy 1.0 1.763 3.483 1280 1043 A 33 GLU H A 33 GLU HBy 1.0 1.823 3.801 1281 1043 A 33 GLU H A 33 GLU HBx 1.0 1.823 3.801 1282 1044 A 36 PRO HDy A 36 PRO HBx 1.0 1.853 3.981 1283 1044 A 36 PRO HDx A 36 PRO HBx 1.0 1.853 3.981 1284 1045 A 76 VAL HB A 76 VAL HGx% 1.0 1.503 2.507 1285 1045 A 76 VAL HB A 76 VAL HGy% 1.0 1.503 2.507 1286 1046 A 59 CYS H A 59 CYS HBy 1.0 1.672 3.088 1287 1046 A 59 CYS H A 59 CYS HBx 1.0 1.672 3.088 1288 1047 A 59 CYS HA A 59 CYS HBy 1.0 1.747 3.405 1289 1047 A 59 CYS HA A 59 CYS HBx 1.0 1.747 3.405 1290 1048 A 77 LEU HBy A 59 CYS HBy 1.0 1.620 2.892 1291 1048 A 77 LEU HBy A 59 CYS HBx 1.0 1.620 2.892 1292 1049 A 78 LEU HDx% A 59 CYS HBx 1.0 1.694 3.178 1293 1049 A 78 LEU HDx% A 59 CYS HBy 1.0 1.694 3.178 1294 1050 A 46 VAL HGy% A 59 CYS HBy 1.0 1.681 3.123 1295 1050 A 46 VAL HGy% A 59 CYS HBx 1.0 1.681 3.123 1296 1051 A 40 LYS HDy A 40 LYS HGx 1.0 1.536 2.610 1297 1051 A 40 LYS HDx A 40 LYS HGx 1.0 1.536 2.610 1298 1052 A 65 PRO HBy A 65 PRO HGx 1.0 1.544 2.636 1299 1052 A 65 PRO HBy A 65 PRO HGy 1.0 1.544 2.636 1300 1053 A 24 PRO HA A 24 PRO HGy 1.0 1.748 3.412 1301 1053 A 24 PRO HA A 24 PRO HGx 1.0 1.748 3.412 1302 1054 A 24 PRO HDy A 24 PRO HGy 1.0 1.990 5.432 1303 1054 A 24 PRO HDy A 24 PRO HGx 1.0 1.990 5.432 1304 1055 A 24 PRO HBy A 24 PRO HGy 1.0 1.546 2.642 1305 1055 A 24 PRO HBy A 24 PRO HGx 1.0 1.546 2.642 1306 1056 A 25 MET H A 24 PRO HGx 1.0 1.853 3.977 1307 1056 A 25 MET H A 24 PRO HGy 1.0 1.853 3.977 1308 1057 A 23 TRP HA A 24 PRO HGy 1.0 1.886 4.198 1309 1057 A 23 TRP HA A 24 PRO HGx 1.0 1.886 4.198 1310 1058 A 65 PRO HDx A 65 PRO HGy 1.0 1.956 7.240 1311 1058 A 65 PRO HDx A 65 PRO HGx 1.0 1.956 7.240 1312 1059 A 65 PRO HBx A 65 PRO HGx 1.0 1.969 5.041 1313 1059 A 65 PRO HBx A 65 PRO HGy 1.0 1.969 5.041 1314 1060 A 36 PRO HGx A 36 PRO HA 1.0 1.766 3.496 1315 1060 A 36 PRO HGy A 36 PRO HA 1.0 1.766 3.496 1316 1061 A 20 ARG H A 20 ARG HGy 1.0 1.838 8.436 1317 1061 A 20 ARG H A 20 ARG HGx 1.0 1.838 8.436 1318 1062 A 20 ARG HGx A 20 ARG HDy 1.0 1.617 2.879 1319 1062 A 20 ARG HGy A 20 ARG HDy 1.0 1.617 2.879 1320 1062 A 20 ARG HGx A 20 ARG HDx 1.0 1.617 2.879 1321 1063 A 78 LEU HDy% A 59 CYS H 1.0 1.904 4.344 1322 1063 A 79 LEU H A 78 LEU HDx% 1.0 1.904 4.344 1323 1063 A 78 LEU HDy% A 79 LEU H 1.0 1.904 4.344 1324 1063 A 78 LEU HDx% A 59 CYS H 1.0 1.904 4.344 1325 1064 A 36 PRO HDy A 36 PRO HGy 1.0 1.573 2.729 1326 1064 A 36 PRO HDx A 36 PRO HGy 1.0 1.573 2.729 1327 1064 A 36 PRO HDy A 36 PRO HGx 1.0 1.573 2.729 1328 1064 A 36 PRO HDx A 36 PRO HGx 1.0 1.573 2.729 1329 1065 A 69 LYS H A 69 LYS HGx 1.0 1.775 3.541 1330 1065 A 69 LYS H A 69 LYS HGy 1.0 1.775 3.541 1331 1066 A 69 LYS HA A 69 LYS HGx 1.0 1.702 3.210 1332 1066 A 69 LYS HA A 69 LYS HGy 1.0 1.702 3.210 1333 1067 A 53 ARG HGy A 53 ARG HDx 1.0 1.657 3.029 1334 1067 A 53 ARG HGy A 53 ARG HDy 1.0 1.657 3.029 1335 1068 A 53 ARG HGx A 53 ARG HDx 1.0 1.723 3.297 1336 1068 A 53 ARG HGx A 53 ARG HDy 1.0 1.723 3.297 1337 1069 A 82 LEU HDx% A 82 LEU H 1.0 1.850 3.954 1338 1069 A 82 LEU H A 82 LEU HDy% 1.0 1.850 3.954 1339 1070 A 47 ARG HGy A 47 ARG HDy 1.0 1.799 3.663 1340 1070 A 47 ARG HGy A 47 ARG HDx 1.0 1.799 3.663 1341 1071 A 47 ARG HGx A 47 ARG HDx 1.0 1.766 3.496 1342 1071 A 47 ARG HGx A 47 ARG HDy 1.0 1.766 3.496 1343 1072 A 81 LEU HBx A 81 LEU HDy% 1.0 1.988 5.390 1344 1072 A 81 LEU HBx A 81 LEU HDx% 1.0 1.988 5.390 1345 1073 A 81 LEU H A 81 LEU HDx% 1.0 1.868 4.076 1346 1073 A 81 LEU H A 81 LEU HDy% 1.0 1.868 4.076 1347 1074 A 79 LEU HBx A 79 LEU HDy% 1.0 1.688 3.154 1348 1074 A 79 LEU HBx A 79 LEU HDx% 1.0 1.688 3.154 1349 1075 A 48 VAL HGx% A 48 VAL HA 1.0 1.724 3.304 1350 1075 A 48 VAL HGy% A 48 VAL HA 1.0 1.724 3.304 1351 1076 A 48 VAL HGy% A 26 PRO HA 1.0 1.671 3.081 1352 1076 A 48 VAL HGx% A 26 PRO HA 1.0 1.671 3.081 1353 1077 A 48 VAL HGy% A 48 VAL HB 1.0 1.518 2.554 1354 1077 A 48 VAL HB A 48 VAL HGx% 1.0 1.518 2.554 1355 1078 A 48 VAL HGy% A 56 THR HG2% 1.0 1.723 3.299 1356 1078 A 48 VAL HGx% A 56 THR HG2% 1.0 1.723 3.299 1357 1079 A 56 THR HG2% A 81 LEU HDx% 1.0 1.458 2.376 1358 1079 A 82 LEU HDx% A 56 THR HG2% 1.0 1.458 2.376 1359 1080 A 31 VAL HA A 31 VAL HGy% 1.0 1.682 3.130 1360 1080 A 31 VAL HA A 31 VAL HGx% 1.0 1.682 3.130 1361 1081 A 31 VAL HB A 31 VAL HGx% 1.0 1.491 2.473 1362 1081 A 31 VAL HB A 31 VAL HGy% 1.0 1.491 2.473 1363 1082 A 67 VAL HGx% A 67 VAL HA 1.0 1.695 3.181 1364 1082 A 67 VAL HGy% A 67 VAL HA 1.0 1.695 3.181 1365 1083 A 67 VAL HGx% A 67 VAL HB 1.0 1.571 2.723 1366 1083 A 67 VAL HGy% A 67 VAL HB 1.0 1.571 2.723 1367 1084 A 64 MET HE% A 69 LYS HBy 1.0 1.624 2.906 1368 1084 A 64 MET HE% A 69 LYS HBx 1.0 1.624 2.906 1369 1085 A 64 MET HE% A 69 LYS HGx 1.0 1.723 3.297 1370 1085 A 64 MET HE% A 69 LYS HGy 1.0 1.723 3.297 1371 1086 A 75 ALA HB% A 79 LEU HDy% 1.0 1.767 3.501 1372 1086 A 75 ALA HB% A 79 LEU HDx% 1.0 1.767 3.501 1373 1087 A 74 ALA HB% A 44 PHE HBx 1.0 1.824 3.806 1374 1087 A 74 ALA HB% A 44 PHE HBy 1.0 1.824 3.806 1375 1088 A 43 THR HB A 60 ILE HG2% 1.0 1.942 4.692 1376 1088 A 39 ALA HB% A 34 GLY HAx 1.0 1.942 4.692 1377 1089 A 60 ILE HD1% A 59 CYS H 1.0 1.868 4.082 1378 1089 A 46 VAL HGy% A 59 CYS H 1.0 1.868 4.082 1379 1090 A 60 ILE H A 59 CYS HBy 1.0 1.833 3.853 1380 1090 A 60 ILE H A 59 CYS HBx 1.0 1.833 3.853 1381 1091 A 48 VAL HGx% A 23 TRP HE1 1.0 1.971 5.061 1382 1091 A 21 LYS HGy A 23 TRP HE1 1.0 1.971 5.061 1383 1091 A 23 TRP HE1 A 21 LYS HDx 1.0 1.971 5.061 1384 1092 A 28 TYR HBy A 28 TYR H 1.0 1.672 3.088 1385 1092 A 28 TYR HBx A 28 TYR H 1.0 1.672 3.088 1386 1093 A 28 TYR H A 29 ARG HBy 1.0 1.966 4.992 1387 1093 A 26 PRO HBy A 28 TYR H 1.0 1.966 4.992 1388 1094 A 70 ALA H A 69 LYS HGx 1.0 1.836 3.874 1389 1094 A 70 ALA H A 69 LYS HGy 1.0 1.836 3.874 1390 1095 A 47 ARG HDx A 47 ARG H 1.0 1.982 5.258 1391 1095 A 47 ARG HDy A 47 ARG H 1.0 1.982 5.258 1392 1096 A 78 LEU H A 59 CYS HBx 1.0 1.911 4.399 1393 1096 A 78 LEU H A 59 CYS HBy 1.0 1.911 4.399 1394 1097 A 78 LEU H A 78 LEU HDx% 1.0 1.821 3.787 1395 1097 A 78 LEU HDy% A 78 LEU H 1.0 1.821 3.787 1396 1098 A 78 LEU H A 79 LEU HDx% 1.0 1.856 4.000 1397 1098 A 78 LEU H A 79 LEU HDy% 1.0 1.856 4.000 1398 1099 A 46 VAL H A 59 CYS HBy 1.0 1.906 4.366 1399 1099 A 46 VAL H A 59 CYS HBx 1.0 1.906 4.366 1400 1100 A 81 LEU H A 84 LYS HDy 1.0 1.788 3.606 1401 1100 A 81 LEU H A 84 LYS HDx 1.0 1.788 3.606 1402 1100 A 81 LEU HG A 81 LEU H 1.0 1.788 3.606 1403 1100 A 81 LEU H A 78 LEU HG 1.0 1.788 3.606 1404 1101 A 81 LEU H A 82 LEU HDy% 1.0 1.838 3.884 1405 1101 A 81 LEU H A 81 LEU HDx% 1.0 1.838 3.884 1406 1101 A 81 LEU H A 81 LEU HDy% 1.0 1.838 3.884 1407 1102 A 28 TYR HBy A 29 ARG H 1.0 1.794 3.640 1408 1102 A 28 TYR HBx A 29 ARG H 1.0 1.794 3.640 1409 1103 A 79 LEU H A 78 LEU HDx% 1.0 1.821 3.785 1410 1103 A 78 LEU HDy% A 79 LEU H 1.0 1.821 3.785 1411 1103 A 79 LEU H A 82 LEU HDy% 1.0 1.821 3.785 1412 1104 A 79 LEU H A 79 LEU HDy% 1.0 1.789 3.611 1413 1104 A 79 LEU H A 79 LEU HDx% 1.0 1.789 3.611 1414 1105 A 74 ALA H A 44 PHE HBy 1.0 1.975 5.127 1415 1105 A 74 ALA H A 44 PHE HBx 1.0 1.975 5.127 1416 1106 A 77 LEU H A 59 CYS HBx 1.0 1.987 5.371 1417 1106 A 77 LEU H A 59 CYS HBy 1.0 1.987 5.371 1418 1107 A 20 ARG H A 20 ARG HDy 1.0 1.945 4.725 1419 1107 A 20 ARG H A 20 ARG HDx 1.0 1.945 4.725 1420 1108 A 20 ARG H A 19 LEU HDy% 1.0 1.890 4.236 1421 1108 A 20 ARG H A 19 LEU HDx% 1.0 1.890 4.236 1422 1109 A 19 LEU H A 19 LEU HDy% 1.0 1.859 4.015 1423 1109 A 19 LEU H A 19 LEU HDx% 1.0 1.859 4.015 1424 1110 A 78 LEU HDy% A 75 ALA H 1.0 1.926 4.536 1425 1110 A 75 ALA H A 78 LEU HDx% 1.0 1.926 4.536 1426 1111 A 51 SER H A 53 ARG H 1.0 1.945 4.725 1427 1111 A 50 THR H A 53 ARG H 1.0 1.945 4.725 1428 1112 A 51 SER HBx A 52 ASP H 1.0 1.876 4.136 1429 1112 A 51 SER HBy A 52 ASP H 1.0 1.876 4.136 1430 1113 A 47 ARG HDx A 48 VAL H 1.0 1.998 5.784 1431 1113 A 47 ARG HDy A 48 VAL H 1.0 1.998 5.784 1432 1114 A 80 GLU H A 79 LEU HDx% 1.0 1.930 4.576 1433 1114 A 80 GLU H A 79 LEU HDy% 1.0 1.930 4.576 1434 1115 A 26 PRO HDy A 25 MET H 1.0 1.955 4.847 1435 1115 A 24 PRO HDy A 25 MET H 1.0 1.955 4.847 1436 1116 A 21 LYS H A 20 ARG HGy 1.0 1.868 4.080 1437 1116 A 21 LYS H A 20 ARG HGx 1.0 1.868 4.080 1438 1117 A 21 LYS HGy A 21 LYS H 1.0 1.769 3.513 1439 1117 A 21 LYS H A 21 LYS HDx 1.0 1.769 3.513 1440 1118 A 69 LYS H A 69 LYS HBx 1.0 1.847 3.939 1441 1118 A 69 LYS H A 69 LYS HBy 1.0 1.847 3.939 1442 1119 A 22 ASN H A 19 LEU HDy% 1.0 1.985 5.319 1443 1119 A 23 TRP HZ2 A 82 LEU HDx% 1.0 1.985 5.319 1444 1119 A 22 ASN H A 19 LEU HDx% 1.0 1.985 5.319 1445 1120 A 51 SER HBx A 51 SER H 1.0 1.661 3.047 1446 1120 A 51 SER HBy A 51 SER H 1.0 1.661 3.047 1447 1121 A 45 GLY H A 44 PHE HBx 1.0 1.786 3.596 1448 1121 A 45 GLY H A 44 PHE HBy 1.0 1.786 3.596 1449 1122 A 71 LYS HA A 70 ALA H 1.0 1.989 5.405 1450 1122 A 65 PRO HDx A 70 ALA H 1.0 1.989 5.405 1451 1123 A 64 MET H A 64 MET HBx 1.0 1.713 3.257 1452 1123 A 64 MET H A 64 MET HBy 1.0 1.713 3.257 1453 1124 A 47 ARG H A 46 VAL H 1.0 1.982 5.262 1454 1124 A 47 ARG H A 28 TYR H 1.0 1.982 5.262 1455 1125 A 75 ALA HA A 46 VAL H 1.0 1.993 5.513 1456 1125 A 74 ALA HA A 46 VAL H 1.0 1.993 5.513 1457 1126 A 20 ARG HA A 23 TRP H 1.0 1.941 4.685 1458 1126 A 18 CYS HA A 23 TRP H 1.0 1.941 4.685 1459 1127 A 77 LEU H A 79 LEU HDx% 1.0 1.955 4.847 1460 1127 A 77 LEU H A 79 LEU HDy% 1.0 1.955 4.847 1461 1127 A 48 VAL HGy% A 55 TRP HE3 1.0 1.955 4.847 1462 1128 A 17 ILE HD1% A 19 LEU H 1.0 1.954 4.838 1463 1128 A 48 VAL HGx% A 19 LEU H 1.0 1.954 4.838 1464 1129 A 54 GLY HAy A 53 ARG H 1.0 1.946 4.742 1465 1129 A 51 SER HBy A 53 ARG H 1.0 1.946 4.742 1466 1129 A 51 SER HBx A 53 ARG H 1.0 1.946 4.742 1467 1130 A 23 TRP HE1 A 53 ARG H 1.0 2.000 6.114 1468 1130 A 32 LYS H A 44 PHE H 1.0 2.000 6.114 1469 1131 A 75 ALA H A 76 VAL HGy% 1.0 1.951 4.801 1470 1131 A 71 LYS HBx A 75 ALA H 1.0 1.951 4.801 1471 1132 A 43 THR H A 63 PRO HA 1.0 1.919 4.471 1472 1132 A 43 THR H A 33 GLU HA 1.0 1.919 4.471 1473 1133 A 21 LYS HGx A 18 CYS H 1.0 1.999 5.829 1474 1133 A 21 LYS HBx A 18 CYS H 1.0 1.999 5.829 1475 1134 A 19 LEU HBx A 18 CYS H 1.0 1.897 4.283 1476 1134 A 17 ILE HG1y A 18 CYS H 1.0 1.897 4.283 1477 1135 A 51 SER H A 52 ASP HA 1.0 1.971 5.059 1478 1135 A 56 THR HB A 50 THR H 1.0 1.971 5.059 1479 1136 A 56 THR H A 81 LEU HDy% 1.0 1.936 4.640 1480 1136 A 56 THR H A 81 LEU HDx% 1.0 1.936 4.640 1481 1136 A 82 LEU HDx% A 56 THR H 1.0 1.936 4.640 1482 1137 A 73 SER H A 73 SER HA 1.0 1.617 2.883 1483 1137 A 73 SER H A 73 SER HBy 1.0 1.617 2.883 1484 1137 A 73 SER H A 73 SER HBx 1.0 1.617 2.883 1485 1138 A 34 GLY H A 40 LYS HGx 1.0 1.974 5.126 1486 1138 A 40 LYS HBx A 34 GLY H 1.0 1.974 5.126 1487 1139 A 82 LEU HDx% A 54 GLY H 1.0 1.999 6.207 1488 1139 A 54 GLY H A 81 LEU HDx% 1.0 1.999 6.207 1489 1139 A 54 GLY H A 81 LEU HDy% 1.0 1.999 6.207 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 15 ASN N A 15 ASN CA A 15 ASN C A 16 ASP N 1.0 -60.5 -20.5 PSI 2 2 A 15 ASN C A 16 ASP N A 16 ASP CA A 16 ASP C 1.0 -87.2 -47.2 PHI 3 3 A 16 ASP N A 16 ASP CA A 16 ASP C A 17 ILE N 1.0 -61.2 -21.2 PSI 4 4 A 16 ASP C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -88.3 -47.7 PHI 5 5 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 CYS N 1.0 -61.6 -21.0 PSI 6 6 A 17 ILE C A 18 CYS N A 18 CYS CA A 18 CYS C 1.0 -80.8 -40.8 PHI 7 7 A 18 CYS N A 18 CYS CA A 18 CYS C A 19 LEU N 1.0 -61.6 -21.6 PSI 8 8 A 18 CYS C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -79.4 -39.4 PHI 9 9 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 ARG N 1.0 -61.5 -21.5 PSI 10 10 A 19 LEU C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -86.4 -46.4 PHI 11 11 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 LYS N 1.0 -51.2 -11.2 PSI 12 12 A 20 ARG C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -120.5 -74.3 PHI 13 13 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 ASN N 1.0 -10.0 30.0 PSI 14 14 A 21 LYS C A 22 ASN N A 22 ASN CA A 22 ASN C 1.0 40.8 80.8 PHI 15 15 A 22 ASN N A 22 ASN CA A 22 ASN C A 23 TRP N 1.0 14.5 63.7 PSI 16 16 A 22 ASN C A 23 TRP N A 23 TRP CA A 23 TRP C 1.0 -152.2 -55.4 PHI 17 17 A 23 TRP N A 23 TRP CA A 23 TRP C A 24 PRO N 1.0 84.6 172.4 PSI 18 18 A 25 MET C A 26 PRO N A 26 PRO CA A 26 PRO C 1.0 -91.1 -51.1 PHI 19 19 A 26 PRO N A 26 PRO CA A 26 PRO C A 27 SER N 1.0 131.1 171.1 PSI 20 20 A 26 PRO C A 27 SER N A 27 SER CA A 27 SER C 1.0 -132.3 -63.9 PHI 21 21 A 27 SER N A 27 SER CA A 27 SER C A 28 TYR N 1.0 89.7 173.1 PSI 22 22 A 27 SER C A 28 TYR N A 28 TYR CA A 28 TYR C 1.0 -152.9 -64.9 PHI 23 23 A 28 TYR N A 28 TYR CA A 28 TYR C A 29 ARG N 1.0 112.0 170.4 PSI 24 24 A 28 TYR C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -164.7 -112.1 PHI 25 25 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 CYS N 1.0 108.7 181.9 PSI 26 26 A 29 ARG C A 30 CYS N A 30 CYS CA A 30 CYS C 1.0 -102.1 -62.1 PHI 27 27 A 30 CYS N A 30 CYS CA A 30 CYS C A 31 VAL N 1.0 91.2 137.0 PSI 28 28 A 30 CYS C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -111.2 -70.4 PHI 29 29 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 LYS N 1.0 -60.1 -20.1 PSI 30 30 A 31 VAL C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -176.9 -136.9 PHI 31 31 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 GLU N 1.0 113.5 173.5 PSI 32 32 A 32 LYS C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -149.5 -101.1 PHI 33 33 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 GLY N 1.0 113.5 157.7 PSI 34 34 A 37 ALA C A 38 HIS N A 38 HIS CA A 38 HIS C 1.0 -120.2 -71.8 PHI 35 35 A 38 HIS N A 38 HIS CA A 38 HIS C A 39 ALA N 1.0 -28.3 17.9 PSI 36 36 A 39 ALA C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -124.3 -79.1 PHI 37 37 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 ARG N 1.0 -57.7 13.7 PSI 38 38 A 40 LYS C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -186.1 -86.5 PHI 39 39 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 PHE N 1.0 133.2 173.2 PSI 40 40 A 41 ARG C A 42 PHE N A 42 PHE CA A 42 PHE C 1.0 -157.6 -112.8 PHI 41 41 A 42 PHE N A 42 PHE CA A 42 PHE C A 43 THR N 1.0 113.8 169.0 PSI 42 42 A 42 PHE C A 43 THR N A 43 THR CA A 43 THR C 1.0 -150.1 -65.5 PHI 43 43 A 43 THR N A 43 THR CA A 43 THR C A 44 PHE N 1.0 104.0 144.0 PSI 44 44 A 43 THR C A 44 PHE N A 44 PHE CA A 44 PHE C 1.0 -141.9 -99.3 PHI 45 45 A 44 PHE N A 44 PHE CA A 44 PHE C A 45 GLY N 1.0 141.5 181.5 PSI 46 46 A 44 PHE C A 45 GLY N A 45 GLY CA A 45 GLY C 1.0 -158.0 -99.4 PHI 47 47 A 45 GLY N A 45 GLY CA A 45 GLY C A 46 VAL N 1.0 123.1 163.1 PSI 48 48 A 45 GLY C A 46 VAL N A 46 VAL CA A 46 VAL C 1.0 -153.4 -110.8 PHI 49 49 A 46 VAL N A 46 VAL CA A 46 VAL C A 47 ARG N 1.0 123.1 176.1 PSI 50 50 A 46 VAL C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -168.0 -109.4 PHI 51 51 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 VAL N 1.0 131.4 171.6 PSI 52 52 A 47 ARG C A 48 VAL N A 48 VAL CA A 48 VAL C 1.0 -171.6 -99.8 PHI 53 53 A 48 VAL N A 48 VAL CA A 48 VAL C A 49 ASN N 1.0 119.1 159.1 PSI 54 54 A 48 VAL C A 49 ASN N A 49 ASN CA A 49 ASN C 1.0 -128.2 -77.0 PHI 55 55 A 49 ASN N A 49 ASN CA A 49 ASN C A 50 THR N 1.0 84.5 158.3 PSI 56 56 A 50 THR C A 51 SER N A 51 SER CA A 51 SER C 1.0 -87.5 -44.5 PHI 57 57 A 51 SER N A 51 SER CA A 51 SER C A 52 ASP N 1.0 -47.2 -3.8 PSI 58 58 A 51 SER C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -130.2 -41.0 PHI 59 59 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 ARG N 1.0 -77.7 26.7 PSI 60 60 A 54 GLY C A 55 TRP N A 55 TRP CA A 55 TRP C 1.0 -126.5 -27.5 PHI 61 61 A 55 TRP N A 55 TRP CA A 55 TRP C A 56 THR N 1.0 118.1 158.1 PSI 62 62 A 55 TRP C A 56 THR N A 56 THR CA A 56 THR C 1.0 -134.6 -51.0 PHI 63 63 A 56 THR N A 56 THR CA A 56 THR C A 57 ASP N 1.0 143.5 194.1 PSI 64 64 A 57 ASP C A 58 GLU N A 58 GLU CA A 58 GLU C 1.0 -153.9 -51.7 PHI 65 65 A 58 GLU N A 58 GLU CA A 58 GLU C A 59 CYS N 1.0 94.4 144.0 PSI 66 66 A 58 GLU C A 59 CYS N A 59 CYS CA A 59 CYS C 1.0 -169.9 -57.5 PHI 67 67 A 59 CYS N A 59 CYS CA A 59 CYS C A 60 ILE N 1.0 99.2 146.8 PSI 68 68 A 59 CYS C A 60 ILE N A 60 ILE CA A 60 ILE C 1.0 -149.4 -74.2 PHI 69 69 A 60 ILE N A 60 ILE CA A 60 ILE C A 61 GLY N 1.0 93.2 147.2 PSI 70 70 A 66 SER C A 67 VAL N A 67 VAL CA A 67 VAL C 1.0 -84.1 -44.1 PHI 71 71 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 LYS N 1.0 -63.6 -23.6 PSI 72 72 A 67 VAL C A 68 LYS N A 68 LYS CA A 68 LYS C 1.0 -80.3 -40.3 PHI 73 73 A 68 LYS N A 68 LYS CA A 68 LYS C A 69 LYS N 1.0 -65.0 -25.0 PSI 74 74 A 68 LYS C A 69 LYS N A 69 LYS CA A 69 LYS C 1.0 -80.7 -40.7 PHI 75 75 A 69 LYS N A 69 LYS CA A 69 LYS C A 70 ALA N 1.0 -59.2 -19.2 PSI 76 76 A 69 LYS C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -85.3 -45.3 PHI 77 77 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 LYS N 1.0 -60.6 -20.6 PSI 78 78 A 70 ALA C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -86.1 -46.1 PHI 79 79 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 ASP N 1.0 -62.2 -17.8 PSI 80 80 A 71 LYS C A 72 ASP N A 72 ASP CA A 72 ASP C 1.0 -80.3 -40.3 PHI 81 81 A 72 ASP N A 72 ASP CA A 72 ASP C A 73 SER N 1.0 -68.4 -28.4 PSI 82 82 A 72 ASP C A 73 SER N A 73 SER CA A 73 SER C 1.0 -81.0 -41.0 PHI 83 83 A 73 SER N A 73 SER CA A 73 SER C A 74 ALA N 1.0 -64.2 -24.2 PSI 84 84 A 73 SER C A 74 ALA N A 74 ALA CA A 74 ALA C 1.0 -81.1 -41.1 PHI 85 85 A 74 ALA N A 74 ALA CA A 74 ALA C A 75 ALA N 1.0 -60.6 -20.6 PSI 86 86 A 74 ALA C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -84.8 -44.8 PHI 87 87 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 VAL N 1.0 -62.1 -22.1 PSI 88 88 A 75 ALA C A 76 VAL N A 76 VAL CA A 76 VAL C 1.0 -85.2 -45.2 PHI 89 89 A 76 VAL N A 76 VAL CA A 76 VAL C A 77 LEU N 1.0 -62.2 -22.2 PSI 90 90 A 76 VAL C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -81.1 -41.1 PHI 91 91 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 LEU N 1.0 -60.6 -19.2 PSI 92 92 A 77 LEU C A 78 LEU N A 78 LEU CA A 78 LEU C 1.0 -86.8 -46.8 PHI 93 93 A 78 LEU N A 78 LEU CA A 78 LEU C A 79 LEU N 1.0 -61.0 -21.0 PSI 94 94 A 78 LEU C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -83.7 -43.7 PHI 95 95 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 GLU N 1.0 -61.7 -21.7 PSI 96 96 A 79 LEU C A 80 GLU N A 80 GLU CA A 80 GLU C 1.0 -83.8 -43.8 PHI 97 97 A 80 GLU N A 80 GLU CA A 80 GLU C A 81 LEU N 1.0 -62.9 -22.9 PSI 98 98 A 80 GLU C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -83.3 -43.3 PHI 99 99 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 LEU N 1.0 -64.4 -24.4 PSI 100 100 A 81 LEU C A 82 LEU N A 82 LEU CA A 82 LEU C 1.0 -86.5 -46.5 PHI 101 101 A 82 LEU N A 82 LEU CA A 82 LEU C A 83 ASN N 1.0 -49.0 0.8 PSI 102 102 A 82 LEU C A 83 ASN N A 83 ASN CA A 83 ASN C 1.0 -118.8 -58.2 PHI 103 103 A 83 ASN N A 83 ASN CA A 83 ASN C A 84 LYS N 1.0 -42.5 14.9 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_2 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_2 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 16 ASP H A 15 ASN C 1.0 . . . 2 2 A 17 ILE H A 16 ASP C 1.0 . . . 3 3 A 18 CYS H A 17 ILE C 1.0 . . . 4 4 A 19 LEU H A 18 CYS C 1.0 . . . 5 5 A 20 ARG H A 19 LEU C 1.0 . . . 6 6 A 21 LYS H A 20 ARG C 1.0 . . . 7 7 A 22 ASN H A 21 LYS C 1.0 . . . 8 8 A 25 MET H A 24 PRO C 1.0 . . . 9 9 A 27 SER H A 26 PRO C 1.0 . . . 10 10 A 28 TYR H A 27 SER C 1.0 . . . 11 11 A 29 ARG H A 28 TYR C 1.0 . . . 12 12 A 31 VAL H A 30 CYS C 1.0 . . . 13 13 A 32 LYS H A 31 VAL C 1.0 . . . 14 14 A 33 GLU H A 32 LYS C 1.0 . . . 15 15 A 34 GLY H A 33 GLU C 1.0 . . . 16 16 A 41 ARG H A 40 LYS C 1.0 . . . 17 17 A 42 PHE H A 41 ARG C 1.0 . . . 18 18 A 43 THR H A 42 PHE C 1.0 . . . 19 19 A 44 PHE H A 43 THR C 1.0 . . . 20 20 A 45 GLY H A 44 PHE C 1.0 . . . 21 21 A 46 VAL H A 45 GLY C 1.0 . . . 22 22 A 47 ARG H A 46 VAL C 1.0 . . . 23 23 A 48 VAL H A 47 ARG C 1.0 . . . 24 24 A 49 ASN H A 48 VAL C 1.0 . . . 25 25 A 50 THR H A 49 ASN C 1.0 . . . 26 26 A 51 SER H A 50 THR C 1.0 . . . 27 27 A 52 ASP H A 51 SER C 1.0 . . . 28 28 A 53 ARG H A 52 ASP C 1.0 . . . 29 29 A 54 GLY H A 53 ARG C 1.0 . . . 30 30 A 55 TRP H A 54 GLY C 1.0 . . . 31 31 A 56 THR H A 55 TRP C 1.0 . . . 32 32 A 57 ASP H A 56 THR C 1.0 . . . 33 33 A 58 GLU H A 57 ASP C 1.0 . . . 34 34 A 61 GLY H A 60 ILE C 1.0 . . . 35 35 A 62 GLU H A 61 GLY C 1.0 . . . 36 36 A 64 MET H A 63 PRO C 1.0 . . . 37 37 A 66 SER H A 65 PRO C 1.0 . . . 38 38 A 67 VAL H A 66 SER C 1.0 . . . 39 39 A 68 LYS H A 67 VAL C 1.0 . . . 40 40 A 69 LYS H A 68 LYS C 1.0 . . . 41 41 A 70 ALA H A 69 LYS C 1.0 . . . 42 42 A 71 LYS H A 70 ALA C 1.0 . . . 43 43 A 72 ASP H A 71 LYS C 1.0 . . . 44 44 A 73 SER H A 72 ASP C 1.0 . . . 45 45 A 74 ALA H A 73 SER C 1.0 . . . 46 46 A 75 ALA H A 74 ALA C 1.0 . . . 47 47 A 76 VAL H A 75 ALA C 1.0 . . . 48 48 A 77 LEU H A 76 VAL C 1.0 . . . 49 49 A 78 LEU H A 77 LEU C 1.0 . . . 50 50 A 79 LEU H A 78 LEU C 1.0 . . . 51 51 A 80 GLU H A 79 LEU C 1.0 . . . 52 52 A 81 LEU H A 80 GLU C 1.0 . . . 53 53 A 82 LEU H A 81 LEU C 1.0 . . . 54 54 A 83 ASN H A 82 LEU C 1.0 . . . 55 55 A 84 LYS H A 83 ASN C 1.0 . . . 56 56 A 85 THR H A 84 LYS C 1.0 . . . 57 57 A 16 ASP H A 16 ASP N 1.0 . . . 58 58 A 17 ILE H A 17 ILE N 1.0 . . . 59 59 A 18 CYS H A 18 CYS N 1.0 . . . 60 60 A 19 LEU H A 19 LEU N 1.0 . . . 61 61 A 20 ARG H A 20 ARG N 1.0 . . . 62 62 A 21 LYS H A 21 LYS N 1.0 . . . 63 63 A 22 ASN H A 22 ASN N 1.0 . . . 64 64 A 25 MET H A 25 MET N 1.0 . . . 65 65 A 27 SER H A 27 SER N 1.0 . . . 66 66 A 28 TYR H A 28 TYR N 1.0 . . . 67 67 A 29 ARG H A 29 ARG N 1.0 . . . 68 68 A 31 VAL H A 31 VAL N 1.0 . . . 69 69 A 32 LYS H A 32 LYS N 1.0 . . . 70 70 A 33 GLU H A 33 GLU N 1.0 . . . 71 71 A 40 LYS H A 40 LYS N 1.0 . . . 72 72 A 41 ARG H A 41 ARG N 1.0 . . . 73 73 A 42 PHE H A 42 PHE N 1.0 . . . 74 74 A 43 THR H A 43 THR N 1.0 . . . 75 75 A 44 PHE H A 44 PHE N 1.0 . . . 76 76 A 45 GLY H A 45 GLY N 1.0 . . . 77 77 A 46 VAL H A 46 VAL N 1.0 . . . 78 78 A 47 ARG H A 47 ARG N 1.0 . . . 79 79 A 48 VAL H A 48 VAL N 1.0 . . . 80 80 A 49 ASN H A 49 ASN N 1.0 . . . 81 81 A 50 THR H A 50 THR N 1.0 . . . 82 82 A 51 SER H A 51 SER N 1.0 . . . 83 83 A 52 ASP H A 52 ASP N 1.0 . . . 84 84 A 53 ARG H A 53 ARG N 1.0 . . . 85 85 A 54 GLY H A 54 GLY N 1.0 . . . 86 86 A 55 TRP H A 55 TRP N 1.0 . . . 87 87 A 56 THR H A 56 THR N 1.0 . . . 88 88 A 57 ASP H A 57 ASP N 1.0 . . . 89 89 A 58 GLU H A 58 GLU N 1.0 . . . 90 90 A 61 GLY H A 61 GLY N 1.0 . . . 91 91 A 62 GLU H A 62 GLU N 1.0 . . . 92 92 A 64 MET H A 64 MET N 1.0 . . . 93 93 A 66 SER H A 66 SER N 1.0 . . . 94 94 A 67 VAL H A 67 VAL N 1.0 . . . 95 95 A 68 LYS H A 68 LYS N 1.0 . . . 96 96 A 69 LYS H A 69 LYS N 1.0 . . . 97 97 A 70 ALA H A 70 ALA N 1.0 . . . 98 98 A 71 LYS H A 71 LYS N 1.0 . . . 99 99 A 72 ASP H A 72 ASP N 1.0 . . . 100 100 A 73 SER H A 73 SER N 1.0 . . . 101 101 A 74 ALA H A 74 ALA N 1.0 . . . 102 102 A 75 ALA H A 75 ALA N 1.0 . . . 103 103 A 76 VAL H A 76 VAL N 1.0 . . . 104 104 A 77 LEU H A 77 LEU N 1.0 . . . 105 105 A 78 LEU H A 78 LEU N 1.0 . . . 106 106 A 79 LEU H A 79 LEU N 1.0 . . . 107 107 A 80 GLU H A 80 GLU N 1.0 . . . 108 108 A 81 LEU H A 81 LEU N 1.0 . . . 109 109 A 82 LEU H A 82 LEU N 1.0 . . . 110 110 A 83 ASN H A 83 ASN N 1.0 . . . 111 111 A 84 LYS H A 84 LYS N 1.0 . . . 112 112 A 85 THR H A 85 THR N 1.0 . . . stop_ save_