data_nef_c18919_2m33 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_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 44 HIS NE2 2 1 HEM FE 1 68 HIS NE2 2 1 HEM FE stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ALA middle . . 3 A 3 ALA middle . . 4 A 4 GLN middle . . 5 A 5 SER middle . . 6 A 6 ASP middle . . 7 A 7 LYS middle . . 8 A 8 ASP middle . . 9 A 9 VAL middle . . 10 A 10 LYS middle . . 11 A 11 TYR middle . . 12 A 12 TYR middle . . 13 A 13 THR middle . . 14 A 14 LEU middle . . 15 A 15 GLU middle . . 16 A 16 GLU middle . . 17 A 17 ILE middle . . 18 A 18 LYS middle . . 19 A 19 LYS middle . . 20 A 20 HIS middle . . 21 A 21 ASN middle . . 22 A 22 HIS middle . . 23 A 23 SER middle . . 24 A 24 LYS middle . . 25 A 25 SER middle . . 26 A 26 THR middle . . 27 A 27 TRP middle . . 28 A 28 LEU middle . . 29 A 29 ILE middle . . 30 A 30 LEU middle . . 31 A 31 HIS middle . . 32 A 32 HIS middle . . 33 A 33 LYS middle . . 34 A 34 VAL middle . . 35 A 35 TYR middle . . 36 A 36 ASP middle . . 37 A 37 LEU middle . . 38 A 38 THR middle . . 39 A 39 LYS middle . . 40 A 40 PHE middle . . 41 A 41 LEU middle . . 42 A 42 GLU middle . . 43 A 43 GLU middle . . 44 A 44 HIS middle -HE2 . 45 A 45 PRO middle . false 46 A 46 GLY middle . false 47 A 47 GLY middle . false 48 A 48 GLU middle . . 49 A 49 GLU middle . . 50 A 50 VAL middle . . 51 A 51 LEU middle . . 52 A 52 ARG middle . . 53 A 53 GLU middle . . 54 A 54 GLN middle . . 55 A 55 ALA middle . . 56 A 56 GLY middle . false 57 A 57 GLY middle . false 58 A 58 ASP middle . . 59 A 59 ALA middle . . 60 A 60 THR middle . . 61 A 61 GLU middle . . 62 A 62 ASN middle . . 63 A 63 PHE middle . . 64 A 64 GLU middle . . 65 A 65 ASP middle . . 66 A 66 VAL middle . . 67 A 67 GLY middle . false 68 A 68 HIS middle -HE2 . 69 A 69 SER middle . . 70 A 70 THR middle . . 71 A 71 ASP middle . . 72 A 72 ALA middle . . 73 A 73 ARG middle . . 74 A 74 GLU middle . . 75 A 75 LEU middle . . 76 A 76 SER middle . . 77 A 77 LYS middle . . 78 A 78 THR middle . . 79 A 79 PHE middle . . 80 A 80 ILE middle . . 81 A 81 ILE middle . . 82 A 82 GLY middle . false 83 A 83 GLU middle . . 84 A 84 LEU middle . . 85 A 85 HIS middle . . 86 A 86 PRO middle . false 87 A 87 ASP middle . . 88 A 88 ASP middle . . 89 A 89 ARG middle . . 90 A 90 SER middle . . 91 A 91 LYS middle . . 92 A 92 LEU middle . . 93 A 93 SER middle . . 94 A 94 LYS middle . . 95 A 95 PRO middle . false 96 A 96 MET middle . . 97 A 97 GLU middle . . 98 A 98 THR middle . . 99 A 99 LEU middle . . 100 A 100 ILE middle . . 101 A 101 THR middle . . 102 A 102 THR middle . . 103 A 103 VAL middle . . 104 A 104 ASP middle . . 105 A 105 SER middle . . 106 A 106 ASN middle . . 107 A 107 SER middle . . 108 A 108 SER middle . . 109 A 109 TRP middle . . 110 A 110 TRP middle . . 111 A 111 THR middle . . 112 A 112 ASN middle . . 113 A 113 TRP middle . . 114 A 114 VAL middle . . 115 A 115 ILE middle . . 116 A 116 PRO middle . false 117 A 117 ALA middle . . 118 A 118 ILE middle . . 119 A 119 SER middle . . 120 A 120 ALA middle . . 121 A 121 LEU middle . . 122 A 122 ILE middle . . 123 A 123 VAL middle . . 124 A 124 ALA middle . . 125 A 125 LEU middle . . 126 A 126 MET middle . . 127 A 127 TYR middle . . 128 A 128 ARG middle . . 129 A 129 LEU middle . . 130 A 130 TYR middle . . 131 A 131 MET middle . . 132 A 132 ALA middle . . 133 A 133 ASP middle . . 134 A 134 ASP end . . 135 B 1 HEM . . . 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 3 ALA HB% H 1 1.413 0.000 A 4 GLN HBx H 1 1.820 0.000 A 4 GLN HBy H 1 1.820 0.000 A 4 GLN HE2x H 1 6.685 0.006 A 4 GLN HE2y H 1 7.393 0.004 A 4 GLN HGy H 1 2.188 0.004 A 4 GLN NE2 N 15 112.779 0.033 A 5 SER HA H 1 4.154 0.000 A 6 ASP H H 1 8.234 0.000 A 6 ASP HA H 1 4.381 0.007 A 6 ASP HBy H 1 2.965 0.003 A 6 ASP HBx H 1 2.818 0.004 A 6 ASP CB C 13 38.906 0.035 A 7 LYS H H 1 7.921 0.002 A 7 LYS HA H 1 4.055 0.008 A 7 LYS HBx H 1 1.499 0.007 A 7 LYS HBy H 1 1.610 0.003 A 7 LYS HDx H 1 1.191 0.008 A 7 LYS HDy H 1 1.191 0.008 A 7 LYS HEx H 1 2.779 0.001 A 7 LYS HEy H 1 2.779 0.001 A 7 LYS CA C 13 56.040 0.055 A 7 LYS N N 15 120.513 0.063 A 8 ASP H H 1 7.984 0.005 A 8 ASP HA H 1 4.326 0.005 A 8 ASP HBy H 1 2.407 0.048 A 8 ASP HBx H 1 2.339 0.059 A 8 ASP CA C 13 53.818 0.019 A 8 ASP CB C 13 41.016 0.047 A 8 ASP N N 15 121.186 0.028 A 9 VAL H H 1 7.481 0.004 A 9 VAL HA H 1 3.529 0.007 A 9 VAL HB H 1 1.357 0.004 A 9 VAL HGx% H 1 0.452 0.007 A 9 VAL HGy% H 1 0.236 0.176 A 9 VAL CA C 13 61.401 0.037 A 9 VAL CB C 13 32.883 0.031 A 9 VAL CGy C 13 17.800 0.234 A 9 VAL N N 15 121.817 0.030 A 10 LYS H H 1 7.920 0.008 A 10 LYS HA H 1 3.855 0.006 A 10 LYS HBx H 1 1.369 0.002 A 10 LYS HBy H 1 1.369 0.002 A 10 LYS HEx H 1 2.689 0.005 A 10 LYS HEy H 1 2.689 0.005 A 10 LYS HGy H 1 0.965 0.004 A 10 LYS HGx H 1 0.846 0.010 A 10 LYS CA C 13 54.277 0.048 A 10 LYS N N 15 127.215 0.039 A 11 TYR H H 1 7.933 0.004 A 11 TYR HA H 1 5.451 0.011 A 11 TYR HBy H 1 2.610 0.006 A 11 TYR HBx H 1 2.393 0.007 A 11 TYR HDx H 1 6.619 0.005 A 11 TYR HDy H 1 6.619 0.005 A 11 TYR HEx H 1 6.376 0.004 A 11 TYR HEy H 1 6.376 0.004 A 11 TYR CA C 13 54.575 0.066 A 11 TYR N N 15 121.820 0.038 A 12 TYR H H 1 8.415 0.005 A 12 TYR HA H 1 4.940 0.005 A 12 TYR HBy H 1 2.923 0.004 A 12 TYR HBx H 1 2.189 0.007 A 12 TYR HDx H 1 6.643 0.008 A 12 TYR HDy H 1 6.643 0.008 A 12 TYR HEx H 1 6.285 0.005 A 12 TYR HEy H 1 6.285 0.005 A 12 TYR CA C 13 56.064 0.029 A 12 TYR N N 15 118.201 0.019 A 13 THR H H 1 9.000 0.007 A 13 THR HA H 1 4.356 0.008 A 13 THR HB H 1 4.647 0.002 A 13 THR HG2% H 1 0.986 0.004 A 13 THR CA C 13 59.883 0.039 A 13 THR N N 15 115.326 0.042 A 14 LEU H H 1 9.500 0.007 A 14 LEU HA H 1 3.755 0.006 A 14 LEU HBy H 1 1.503 0.017 A 14 LEU HBx H 1 1.390 0.007 A 14 LEU HDx% H 1 0.691 0.011 A 14 LEU HDy% H 1 0.826 0.007 A 14 LEU CA C 13 57.859 0.054 A 14 LEU CDy C 13 20.965 0.022 A 14 LEU N N 15 123.402 0.016 A 15 GLU H H 1 8.134 0.004 A 15 GLU HA H 1 3.612 0.005 A 15 GLU HBx H 1 1.763 0.009 A 15 GLU HBy H 1 1.763 0.009 A 15 GLU HGx H 1 2.050 0.000 A 15 GLU HGy H 1 2.050 0.000 A 15 GLU CA C 13 58.853 0.029 A 15 GLU N N 15 116.653 0.038 A 16 GLU H H 1 7.489 0.006 A 16 GLU HA H 1 3.857 0.006 A 16 GLU HBy H 1 2.201 0.006 A 16 GLU HBx H 1 2.049 0.014 A 16 GLU HGx H 1 2.497 0.006 A 16 GLU HGy H 1 2.497 0.006 A 16 GLU CA C 13 58.243 0.027 A 16 GLU CB C 13 29.853 0.056 A 16 GLU CG C 13 33.540 0.048 A 16 GLU N N 15 118.743 0.027 A 17 ILE H H 1 8.255 0.005 A 17 ILE HA H 1 3.374 0.004 A 17 ILE HB H 1 1.576 0.010 A 17 ILE HD1% H 1 0.498 0.006 A 17 ILE HG1x H 1 0.491 0.004 A 17 ILE HG1y H 1 0.501 0.004 A 17 ILE HG2% H 1 0.483 0.007 A 17 ILE CB C 13 39.103 0.142 A 17 ILE N N 15 121.104 0.025 A 18 LYS H H 1 7.730 0.004 A 18 LYS HA H 1 4.130 0.006 A 18 LYS HBx H 1 2.058 0.002 A 18 LYS HBy H 1 2.058 0.002 A 18 LYS HDx H 1 1.602 0.002 A 18 LYS HDy H 1 1.602 0.002 A 18 LYS HEx H 1 3.382 0.004 A 18 LYS HEy H 1 3.382 0.004 A 18 LYS HGx H 1 1.351 0.000 A 18 LYS HGy H 1 1.351 0.000 A 18 LYS CA C 13 57.843 0.082 A 18 LYS N N 15 116.369 0.022 A 19 LYS H H 1 6.870 0.005 A 19 LYS HA H 1 3.765 0.007 A 19 LYS HBx H 1 1.372 0.006 A 19 LYS HBy H 1 1.372 0.006 A 19 LYS HDx H 1 1.209 0.006 A 19 LYS HDy H 1 1.209 0.006 A 19 LYS HEx H 1 2.684 0.008 A 19 LYS HEy H 1 2.684 0.008 A 19 LYS HGx H 1 1.093 0.001 A 19 LYS HGy H 1 1.093 0.001 A 19 LYS CA C 13 56.493 0.055 A 19 LYS CG C 13 26.394 0.061 A 19 LYS N N 15 114.183 0.016 A 20 HIS H H 1 7.559 0.004 A 20 HIS HA H 1 3.768 0.008 A 20 HIS HBy H 1 2.044 0.000 A 20 HIS HBx H 1 1.593 0.001 A 20 HIS HD2 H 1 6.636 0.000 A 20 HIS CA C 13 52.950 0.080 A 20 HIS N N 15 121.788 0.020 A 21 ASN H H 1 7.240 0.006 A 21 ASN HA H 1 4.478 0.006 A 21 ASN HBy H 1 2.752 0.004 A 21 ASN HBx H 1 2.049 0.003 A 21 ASN HD2y H 1 7.286 0.005 A 21 ASN HD2x H 1 6.330 0.006 A 21 ASN CA C 13 50.639 0.049 A 21 ASN CB C 13 38.352 0.129 A 21 ASN N N 15 118.088 0.018 A 21 ASN ND2 N 15 109.453 0.026 A 22 HIS H H 1 7.335 0.005 A 22 HIS HA H 1 4.910 0.005 A 22 HIS HBy H 1 3.117 0.006 A 22 HIS HBx H 1 2.742 0.008 A 22 HIS HD2 H 1 7.064 0.004 A 22 HIS CA C 13 53.917 0.021 A 22 HIS CB C 13 34.148 0.047 A 22 HIS N N 15 117.219 0.014 A 23 SER H H 1 8.248 0.000 A 23 SER HA H 1 4.160 0.004 A 23 SER HBy H 1 3.882 0.009 A 23 SER HBx H 1 3.651 0.005 A 24 LYS H H 1 8.232 0.003 A 24 LYS HA H 1 4.343 0.005 A 24 LYS HBy H 1 1.962 0.005 A 24 LYS HBx H 1 1.714 0.001 A 24 LYS HDx H 1 1.335 0.003 A 24 LYS HDy H 1 1.335 0.003 A 24 LYS HGx H 1 1.450 0.005 A 24 LYS CA C 13 55.554 0.059 A 24 LYS N N 15 118.104 0.039 A 25 SER H H 1 6.830 0.004 A 25 SER HA H 1 4.512 0.011 A 25 SER HBy H 1 3.660 0.006 A 25 SER HBx H 1 3.067 0.005 A 25 SER CA C 13 57.795 0.043 A 25 SER CB C 13 61.071 0.084 A 25 SER N N 15 115.381 0.029 A 26 THR H H 1 8.685 0.005 A 26 THR HA H 1 4.061 0.007 A 26 THR HB H 1 3.423 0.010 A 26 THR HG2% H 1 0.588 0.005 A 26 THR CA C 13 62.088 0.029 A 26 THR CB C 13 71.653 0.028 A 26 THR N N 15 125.199 0.027 A 27 TRP H H 1 8.621 0.005 A 27 TRP HA H 1 5.936 0.007 A 27 TRP HBy H 1 2.745 0.006 A 27 TRP HBx H 1 2.484 0.006 A 27 TRP HD1 H 1 6.495 0.004 A 27 TRP HE1 H 1 8.479 0.007 A 27 TRP HE3 H 1 6.410 0.024 A 27 TRP HH2 H 1 6.131 0.003 A 27 TRP HZ2 H 1 6.342 0.004 A 27 TRP HZ3 H 1 5.510 0.002 A 27 TRP CA C 13 51.650 0.042 A 27 TRP N N 15 127.090 0.029 A 27 TRP NE1 N 15 124.826 0.033 A 28 LEU H H 1 8.251 0.005 A 28 LEU HA H 1 4.214 0.011 A 28 LEU HBx H 1 0.445 0.018 A 28 LEU HBy H 1 0.923 0.006 A 28 LEU HDx% H 1 -0.814 0.013 A 28 LEU HDy% H 1 -0.987 0.010 A 28 LEU CA C 13 53.748 0.035 A 28 LEU CB C 13 44.705 0.039 A 28 LEU CDy C 13 24.012 0.055 A 28 LEU CDx C 13 22.871 0.050 A 28 LEU N N 15 116.081 0.032 A 29 ILE H H 1 7.766 0.007 A 29 ILE HA H 1 4.736 0.005 A 29 ILE HB H 1 1.123 0.009 A 29 ILE HG1y H 1 0.429 0.006 A 29 ILE HG1x H 1 0.294 0.000 A 29 ILE HG2% H 1 1.019 0.004 A 29 ILE CA C 13 58.550 0.027 A 29 ILE CB C 13 40.355 0.057 A 29 ILE CG1 C 13 18.207 0.090 A 29 ILE N N 15 120.670 0.019 A 30 LEU H H 1 8.112 0.007 A 30 LEU HA H 1 4.139 0.005 A 30 LEU HBx H 1 -0.050 0.009 A 30 LEU HBy H 1 1.054 0.010 A 30 LEU HDx% H 1 -2.325 0.008 A 30 LEU HDy% H 1 -1.083 0.006 A 30 LEU HG H 1 -0.406 0.011 A 30 LEU CB C 13 42.851 0.071 A 30 LEU CDx C 13 19.649 0.055 A 30 LEU CDy C 13 21.770 0.061 A 30 LEU CG C 13 24.616 0.054 A 30 LEU N N 15 121.860 0.022 A 31 HIS H H 1 9.025 0.005 A 31 HIS HA H 1 3.563 0.006 A 31 HIS HBx H 1 2.847 0.011 A 31 HIS HBy H 1 2.847 0.011 A 31 HIS HD2 H 1 6.742 0.006 A 31 HIS HE1 H 1 7.749 0.001 A 31 HIS CA C 13 56.742 0.047 A 31 HIS N N 15 125.665 0.031 A 32 HIS H H 1 8.342 0.004 A 32 HIS HA H 1 3.679 0.003 A 32 HIS HBy H 1 3.419 0.004 A 32 HIS HBx H 1 2.989 0.006 A 32 HIS CB C 13 29.432 0.084 A 32 HIS N N 15 108.298 0.023 A 33 LYS H H 1 8.106 0.008 A 33 LYS HA H 1 4.552 0.020 A 33 LYS HBx H 1 1.901 0.002 A 33 LYS HBy H 1 1.901 0.002 A 33 LYS HGx H 1 1.147 0.000 A 33 LYS HGy H 1 1.147 0.000 A 33 LYS N N 15 121.807 0.027 A 34 VAL H H 1 8.030 0.004 A 34 VAL HA H 1 3.831 0.009 A 34 VAL HB H 1 0.801 0.006 A 34 VAL HGx% H 1 0.315 0.092 A 34 VAL HGy% H 1 -0.187 0.006 A 34 VAL CA C 13 61.256 0.098 A 34 VAL CB C 13 32.216 0.055 A 34 VAL CGx C 13 18.978 0.044 A 34 VAL CGy C 13 18.993 0.032 A 34 VAL N N 15 120.724 0.020 A 35 TYR H H 1 8.619 0.004 A 35 TYR HA H 1 4.169 0.008 A 35 TYR HBy H 1 1.825 0.003 A 35 TYR HBx H 1 1.600 0.007 A 35 TYR HDx H 1 6.361 0.007 A 35 TYR HDy H 1 6.361 0.007 A 35 TYR HEx H 1 6.232 0.007 A 35 TYR HEy H 1 6.232 0.007 A 35 TYR N N 15 126.472 0.046 A 36 ASP H H 1 7.925 0.004 A 36 ASP HA H 1 4.767 0.005 A 36 ASP HBy H 1 2.693 0.006 A 36 ASP HBx H 1 1.582 0.006 A 36 ASP CA C 13 52.350 0.024 A 36 ASP CB C 13 40.681 0.048 A 36 ASP N N 15 119.506 0.029 A 37 LEU H H 1 8.176 0.007 A 37 LEU HA H 1 4.051 0.005 A 37 LEU HBy H 1 1.462 0.009 A 37 LEU HBx H 1 0.817 0.005 A 37 LEU HDx% H 1 0.705 0.009 A 37 LEU CA C 13 52.308 0.020 A 37 LEU CB C 13 41.957 0.035 A 37 LEU N N 15 122.705 0.021 A 38 THR H H 1 8.472 0.005 A 38 THR HA H 1 3.485 0.006 A 38 THR HB H 1 4.115 0.010 A 38 THR HG2% H 1 1.131 0.004 A 38 THR CA C 13 68.689 0.014 A 38 THR CG2 C 13 18.112 0.037 A 38 THR N N 15 119.266 0.022 A 39 LYS H H 1 8.733 0.005 A 39 LYS HA H 1 4.380 0.006 A 39 LYS HBy H 1 2.022 0.001 A 39 LYS HBx H 1 1.793 0.003 A 39 LYS HDx H 1 1.680 0.007 A 39 LYS HDy H 1 1.680 0.007 A 39 LYS HEx H 1 2.962 0.003 A 39 LYS HEy H 1 2.962 0.003 A 39 LYS HGx H 1 1.496 0.010 A 39 LYS HGy H 1 1.496 0.010 A 39 LYS CA C 13 57.038 0.056 A 39 LYS CG C 13 22.426 0.047 A 39 LYS N N 15 117.328 0.022 A 40 PHE H H 1 7.955 0.006 A 40 PHE HA H 1 5.010 0.023 A 40 PHE HBy H 1 2.707 0.004 A 40 PHE HBx H 1 2.399 0.006 A 40 PHE HDx H 1 7.416 0.003 A 40 PHE CA C 13 56.950 0.070 A 40 PHE N N 15 120.222 0.035 A 41 LEU H H 1 7.679 0.004 A 41 LEU HA H 1 4.696 0.006 A 41 LEU HBx H 1 2.003 0.135 A 41 LEU HBy H 1 2.225 0.005 A 41 LEU HDx% H 1 1.104 0.007 A 41 LEU HDy% H 1 1.031 0.007 A 41 LEU HG H 1 2.299 0.001 A 41 LEU CA C 13 60.124 0.031 A 41 LEU CB C 13 42.793 0.038 A 41 LEU CDy C 13 21.877 0.030 A 41 LEU CG C 13 24.177 0.074 A 41 LEU N N 15 119.704 0.025 A 42 GLU H H 1 8.435 0.006 A 42 GLU HA H 1 4.752 0.005 A 42 GLU HBy H 1 2.349 0.005 A 42 GLU HBx H 1 2.209 0.004 A 42 GLU HGx H 1 2.492 0.003 A 42 GLU HGy H 1 2.492 0.003 A 42 GLU CA C 13 57.775 0.070 A 42 GLU CB C 13 30.128 0.024 A 42 GLU N N 15 112.489 0.017 A 43 GLU H H 1 8.157 0.003 A 43 GLU HA H 1 4.704 0.008 A 43 GLU HBy H 1 2.313 0.016 A 43 GLU HBx H 1 2.228 0.005 A 43 GLU HGx H 1 2.477 0.005 A 43 GLU HGy H 1 2.477 0.005 A 43 GLU CA C 13 55.567 0.045 A 43 GLU CB C 13 31.929 0.054 A 43 GLU N N 15 118.124 0.016 A 44 HIS H H 1 8.879 0.005 A 44 HIS HA H 1 6.623 0.000 A 44 HIS HBy H 1 7.261 0.003 A 44 HIS N N 15 120.251 0.036 A 45 PRO HA H 1 4.268 0.004 A 45 PRO HBx H 1 2.075 0.001 A 45 PRO HBy H 1 2.075 0.001 A 45 PRO HGx H 1 1.787 0.008 A 45 PRO HGy H 1 1.787 0.008 A 45 PRO CA C 13 63.129 0.049 A 46 GLY H H 1 8.571 0.004 A 46 GLY HAx H 1 3.816 0.002 A 46 GLY HAy H 1 3.816 0.002 A 46 GLY N N 15 110.092 0.016 A 47 GLY H H 1 10.468 0.039 A 47 GLY HAy H 1 5.978 0.004 A 47 GLY HAx H 1 5.662 0.008 A 47 GLY CA C 13 46.257 0.067 A 48 GLU H H 1 9.910 0.005 A 48 GLU HA H 1 5.763 0.008 A 48 GLU HBy H 1 2.754 0.020 A 48 GLU HBx H 1 2.648 0.005 A 48 GLU HGx H 1 2.752 0.000 A 48 GLU HGy H 1 2.752 0.000 A 48 GLU CA C 13 59.041 0.105 A 48 GLU CB C 13 31.750 0.113 A 48 GLU CG C 13 33.715 0.044 A 48 GLU N N 15 121.367 0.023 A 49 GLU H H 1 9.477 0.004 A 49 GLU HA H 1 4.073 0.006 A 49 GLU HBy H 1 2.348 0.004 A 49 GLU HBx H 1 2.195 0.004 A 49 GLU HGx H 1 2.450 0.008 A 49 GLU HGy H 1 2.450 0.008 A 49 GLU CA C 13 61.330 0.028 A 49 GLU CB C 13 29.165 0.013 A 49 GLU N N 15 124.267 0.044 A 50 VAL H H 1 9.248 0.018 A 50 VAL HA H 1 3.883 0.009 A 50 VAL HB H 1 1.993 0.003 A 50 VAL HGx% H 1 1.442 0.008 A 50 VAL HGy% H 1 1.361 0.003 A 50 VAL CA C 13 63.688 0.067 A 50 VAL N N 15 112.543 0.048 A 51 LEU H H 1 7.207 0.007 A 51 LEU HA H 1 2.873 0.008 A 51 LEU HBx H 1 2.573 0.014 A 51 LEU HBy H 1 2.573 0.014 A 51 LEU HDx% H 1 0.573 0.004 A 51 LEU CA C 13 55.692 0.042 A 51 LEU CB C 13 41.634 0.049 A 51 LEU N N 15 116.426 0.033 A 52 ARG H H 1 8.330 0.005 A 52 ARG HA H 1 3.648 0.015 A 52 ARG HBx H 1 1.879 0.009 A 52 ARG HBy H 1 1.879 0.009 A 52 ARG HDx H 1 3.176 0.006 A 52 ARG HDy H 1 3.176 0.006 A 52 ARG HGx H 1 1.562 0.006 A 52 ARG HGy H 1 1.562 0.006 A 52 ARG CA C 13 58.951 0.051 A 52 ARG CD C 13 40.431 0.082 A 52 ARG CG C 13 24.703 0.044 A 52 ARG N N 15 119.023 0.039 A 53 GLU H H 1 7.967 0.004 A 53 GLU HA H 1 3.766 0.009 A 53 GLU HBy H 1 1.780 0.010 A 53 GLU HBx H 1 1.662 0.009 A 53 GLU HGy H 1 2.177 0.007 A 53 GLU HGx H 1 2.044 0.004 A 53 GLU CA C 13 58.008 0.051 A 53 GLU N N 15 116.609 0.023 A 54 GLN H H 1 6.392 0.005 A 54 GLN HA H 1 3.907 0.006 A 54 GLN HBy H 1 1.053 0.010 A 54 GLN HBx H 1 0.570 0.007 A 54 GLN HE2y H 1 7.120 0.005 A 54 GLN HE2x H 1 6.186 0.006 A 54 GLN HGy H 1 1.778 0.006 A 54 GLN HGx H 1 1.531 0.011 A 54 GLN CA C 13 52.558 0.072 A 54 GLN CB C 13 28.782 0.059 A 54 GLN CG C 13 31.884 0.048 A 54 GLN N N 15 112.813 0.033 A 54 GLN NE2 N 15 111.929 0.025 A 55 ALA H H 1 6.696 0.005 A 55 ALA HA H 1 3.508 0.011 A 55 ALA HB% H 1 1.195 0.006 A 55 ALA CA C 13 52.896 0.020 A 55 ALA CB C 13 20.215 0.059 A 55 ALA N N 15 121.207 0.034 A 56 GLY H H 1 9.180 0.007 A 56 GLY HAx H 1 3.356 0.005 A 56 GLY HAy H 1 3.668 0.008 A 56 GLY CA C 13 44.771 0.091 A 56 GLY N N 15 111.197 0.035 A 57 GLY H H 1 7.154 0.006 A 57 GLY HAx H 1 3.321 0.009 A 57 GLY HAy H 1 3.964 0.006 A 57 GLY CA C 13 43.672 0.052 A 57 GLY N N 15 105.062 0.024 A 58 ASP H H 1 8.116 0.004 A 58 ASP HA H 1 4.498 0.009 A 58 ASP HBy H 1 2.469 0.005 A 58 ASP HBx H 1 2.015 0.001 A 58 ASP N N 15 117.483 0.032 A 59 ALA H H 1 8.085 0.006 A 59 ALA HA H 1 4.151 0.005 A 59 ALA HB% H 1 -0.168 0.021 A 59 ALA CA C 13 49.300 0.066 A 59 ALA CB C 13 19.658 0.062 A 59 ALA N N 15 129.054 0.045 A 60 THR H H 1 7.617 0.007 A 60 THR HA H 1 2.668 0.005 A 60 THR HB H 1 3.626 0.009 A 60 THR HG2% H 1 0.219 0.006 A 60 THR CA C 13 68.703 0.072 A 60 THR CB C 13 68.147 0.027 A 60 THR CG2 C 13 19.638 0.071 A 60 THR N N 15 117.463 0.023 A 61 GLU H H 1 8.343 0.005 A 61 GLU HA H 1 3.723 0.008 A 61 GLU HBy H 1 1.668 0.007 A 61 GLU HBx H 1 1.636 0.011 A 61 GLU HGy H 1 2.065 0.010 A 61 GLU HGx H 1 1.969 0.004 A 61 GLU CA C 13 59.435 0.033 A 61 GLU CB C 13 29.021 0.047 A 61 GLU N N 15 119.446 0.030 A 62 ASN H H 1 7.455 0.008 A 62 ASN HA H 1 4.029 0.008 A 62 ASN HBy H 1 1.862 0.004 A 62 ASN HBx H 1 1.410 0.006 A 62 ASN HD2x H 1 6.501 0.005 A 62 ASN HD2y H 1 7.221 0.006 A 62 ASN CA C 13 55.458 0.032 A 62 ASN CB C 13 37.658 0.054 A 62 ASN N N 15 116.305 0.033 A 62 ASN ND2 N 15 112.113 0.040 A 63 PHE H H 1 7.743 0.006 A 63 PHE HA H 1 2.940 0.008 A 63 PHE HBy H 1 2.614 0.006 A 63 PHE HBx H 1 0.555 0.011 A 63 PHE N N 15 118.171 0.040 A 64 GLU H H 1 8.647 0.006 A 64 GLU HA H 1 5.253 0.008 A 64 GLU HBy H 1 2.588 0.007 A 64 GLU HBx H 1 2.236 0.005 A 64 GLU HGy H 1 2.941 0.008 A 64 GLU HGx H 1 2.832 0.008 A 64 GLU CA C 13 58.725 0.058 A 64 GLU CB C 13 29.580 0.065 A 64 GLU CG C 13 32.608 0.044 A 64 GLU N N 15 120.190 0.018 A 65 ASP H H 1 8.685 0.005 A 65 ASP HA H 1 4.651 0.010 A 65 ASP HBy H 1 2.793 0.003 A 65 ASP HBx H 1 2.653 0.006 A 65 ASP CA C 13 57.056 0.017 A 65 ASP N N 15 121.685 0.041 A 66 VAL H H 1 7.963 0.005 A 66 VAL HA H 1 4.240 0.007 A 66 VAL HB H 1 1.396 0.000 A 66 VAL CA C 13 65.144 0.071 A 66 VAL N N 15 116.169 0.049 A 67 GLY H H 1 8.895 0.003 A 67 GLY HAx H 1 4.762 0.005 A 67 GLY HAy H 1 5.048 0.005 A 67 GLY CA C 13 47.628 0.035 A 67 GLY N N 15 109.219 0.035 A 68 HIS H H 1 11.404 0.024 A 69 SER H H 1 11.649 0.005 A 69 SER HA H 1 4.808 0.011 A 69 SER HBx H 1 4.039 0.006 A 69 SER HBy H 1 4.341 0.006 A 69 SER CA C 13 58.836 0.044 A 69 SER CB C 13 65.173 0.053 A 69 SER N N 15 126.060 0.000 A 70 THR H H 1 9.202 0.003 A 70 THR HA H 1 4.301 0.014 A 70 THR HB H 1 4.282 0.007 A 70 THR HG2% H 1 1.401 0.008 A 70 THR CA C 13 66.637 0.041 A 70 THR CB C 13 68.471 0.039 A 70 THR CG2 C 13 19.786 0.061 A 70 THR N N 15 116.948 0.041 A 71 ASP H H 1 8.192 0.009 A 71 ASP HA H 1 4.290 0.007 A 71 ASP HBy H 1 2.394 0.005 A 71 ASP HBx H 1 2.290 0.008 A 71 ASP N N 15 121.902 0.030 A 72 ALA H H 1 8.718 0.006 A 72 ALA HA H 1 3.902 0.002 A 72 ALA HB% H 1 2.337 0.007 A 72 ALA N N 15 124.910 0.047 A 73 ARG H H 1 9.195 0.004 A 73 ARG HA H 1 4.522 0.010 A 73 ARG HBy H 1 2.754 0.007 A 73 ARG HBx H 1 2.530 0.005 A 73 ARG HDx H 1 3.049 0.004 A 73 ARG HDy H 1 3.049 0.004 A 73 ARG HGx H 1 2.458 0.007 A 73 ARG HGy H 1 2.458 0.007 A 73 ARG CA C 13 60.342 0.029 A 73 ARG N N 15 119.548 0.040 A 74 GLU H H 1 8.900 0.004 A 74 GLU HA H 1 4.062 0.004 A 74 GLU HBy H 1 2.103 0.007 A 74 GLU HBx H 1 2.002 0.003 A 74 GLU HGy H 1 2.371 0.006 A 74 GLU HGx H 1 2.254 0.004 A 74 GLU CA C 13 59.203 0.045 A 74 GLU CB C 13 29.218 0.022 A 74 GLU CG C 13 32.691 0.102 A 74 GLU N N 15 123.515 0.026 A 75 LEU H H 1 8.162 0.006 A 75 LEU HA H 1 4.002 0.006 A 75 LEU HBy H 1 1.831 0.010 A 75 LEU HBx H 1 1.503 0.012 A 75 LEU HDx% H 1 1.167 0.000 A 75 LEU HG H 1 1.159 0.002 A 75 LEU CA C 13 57.114 0.050 A 75 LEU CB C 13 41.362 0.026 A 75 LEU CG C 13 24.420 0.013 A 75 LEU N N 15 122.445 0.048 A 76 SER H H 1 8.326 0.005 A 76 SER HA H 1 3.662 0.010 A 76 SER HBx H 1 3.273 0.004 A 76 SER HBy H 1 3.273 0.004 A 76 SER CA C 13 61.736 0.070 A 76 SER N N 15 114.992 0.035 A 77 LYS H H 1 7.012 0.006 A 77 LYS HA H 1 3.845 0.007 A 77 LYS HBy H 1 1.737 0.006 A 77 LYS HBx H 1 1.586 0.004 A 77 LYS HGx H 1 1.354 0.003 A 77 LYS HGy H 1 1.354 0.003 A 77 LYS CA C 13 58.325 0.055 A 77 LYS N N 15 120.259 0.022 A 78 THR H H 1 7.457 0.004 A 78 THR HA H 1 3.738 0.004 A 78 THR HB H 1 3.524 0.007 A 78 THR HG2% H 1 0.825 0.011 A 78 THR CA C 13 63.464 0.015 A 78 THR CB C 13 69.046 0.059 A 78 THR CG2 C 13 17.942 0.053 A 78 THR N N 15 109.868 0.017 A 79 PHE H H 1 7.115 0.006 A 79 PHE HA H 1 3.382 0.006 A 79 PHE HBx H 1 2.293 0.006 A 79 PHE HBy H 1 2.293 0.006 A 79 PHE HDx H 1 6.550 0.005 A 79 PHE HDy H 1 6.550 0.005 A 79 PHE HEx H 1 6.929 0.002 A 79 PHE HEy H 1 6.929 0.002 A 79 PHE HZ H 1 6.807 0.006 A 79 PHE CA C 13 56.746 0.032 A 79 PHE CB C 13 39.998 0.061 A 79 PHE N N 15 118.163 0.031 A 80 ILE H H 1 6.598 0.009 A 80 ILE HA H 1 3.221 0.009 A 80 ILE HB H 1 1.205 0.007 A 80 ILE HD1% H 1 0.552 0.008 A 80 ILE HG1x H 1 -0.526 0.011 A 80 ILE HG1y H 1 -0.526 0.011 A 80 ILE HG21 H 1 0.609 0.012 A 80 ILE HG22 H 1 1.104 0.004 A 80 ILE HG23 H 1 0.514 0.003 A 80 ILE CA C 13 62.573 0.073 A 80 ILE CB C 13 38.526 0.064 A 80 ILE CG1 C 13 29.531 5.929 A 80 ILE CG2 C 13 21.642 0.023 A 80 ILE N N 15 120.554 0.055 A 81 ILE H H 1 8.412 0.007 A 81 ILE HA H 1 4.338 0.006 A 81 ILE HB H 1 1.552 0.007 A 81 ILE HD1% H 1 -1.384 0.007 A 81 ILE HG21 H 1 0.142 0.265 A 81 ILE HG22 H 1 0.483 0.012 A 81 ILE HG23 H 1 -0.316 0.008 A 81 ILE CA C 13 60.215 0.051 A 81 ILE CB C 13 39.336 0.043 A 81 ILE CD1 C 13 9.050 0.044 A 81 ILE CG1 C 13 22.688 0.000 A 81 ILE CG2 C 13 15.562 0.089 A 81 ILE N N 15 119.736 0.032 A 82 GLY H H 1 7.134 0.005 A 82 GLY HAy H 1 4.141 0.007 A 82 GLY HAx H 1 3.850 0.005 A 82 GLY CA C 13 45.133 0.039 A 82 GLY N N 15 110.926 0.044 A 83 GLU H H 1 8.822 0.006 A 83 GLU HA H 1 4.885 0.006 A 83 GLU HBy H 1 1.959 0.005 A 83 GLU HBx H 1 1.485 0.006 A 83 GLU HGx H 1 1.949 0.009 A 83 GLU HGy H 1 1.949 0.009 A 83 GLU CA C 13 54.118 0.053 A 83 GLU CB C 13 34.459 0.012 A 83 GLU N N 15 118.478 0.027 A 84 LEU H H 1 8.553 0.007 A 84 LEU HA H 1 4.360 0.002 A 84 LEU HBy H 1 2.024 0.008 A 84 LEU HBx H 1 0.754 0.003 A 84 LEU CB C 13 43.262 0.014 A 84 LEU N N 15 123.165 0.049 A 85 HIS H H 1 8.850 0.005 A 85 HIS HA H 1 3.547 0.009 A 85 HIS HBy H 1 2.635 0.017 A 85 HIS HBx H 1 2.362 0.004 A 85 HIS HD2 H 1 6.779 0.004 A 85 HIS HE1 H 1 7.320 0.000 A 85 HIS CA C 13 56.379 0.080 A 85 HIS N N 15 130.883 0.016 A 86 PRO HA H 1 3.478 0.009 A 86 PRO HDy H 1 2.010 0.019 A 86 PRO HDx H 1 1.342 0.075 A 86 PRO HGx H 1 1.165 0.007 A 86 PRO CA C 13 65.353 0.051 A 86 PRO CD C 13 49.551 0.030 A 86 PRO CG C 13 22.693 0.044 A 87 ASP H H 1 10.889 0.007 A 87 ASP HA H 1 4.246 0.007 A 87 ASP HBy H 1 2.478 0.001 A 87 ASP HBx H 1 2.439 0.000 A 87 ASP CA C 13 56.389 0.039 A 87 ASP N N 15 121.230 0.049 A 88 ASP H H 1 7.946 0.005 A 88 ASP HA H 1 4.364 0.003 A 88 ASP HBy H 1 2.701 0.003 A 88 ASP HBx H 1 2.449 0.006 A 88 ASP N N 15 117.642 0.025 A 89 ARG H H 1 7.080 0.005 A 89 ARG HA H 1 3.692 0.004 A 89 ARG HBx H 1 0.857 0.000 A 89 ARG HBy H 1 1.500 0.003 A 89 ARG HGx H 1 0.672 0.003 A 89 ARG HGy H 1 0.672 0.003 A 89 ARG CA C 13 59.103 0.079 A 89 ARG CG C 13 24.715 0.051 A 89 ARG N N 15 119.774 0.044 A 90 SER HA H 1 4.666 0.014 A 90 SER HBx H 1 3.683 0.000 A 90 SER HBy H 1 3.683 0.000 A 91 LYS H H 1 7.527 0.000 A 91 LYS HA H 1 4.074 0.000 A 91 LYS HEx H 1 2.854 0.000 A 91 LYS HEy H 1 2.854 0.000 A 92 LEU H H 1 7.385 0.007 A 92 LEU HA H 1 4.187 0.010 A 92 LEU HBx H 1 1.466 0.001 A 92 LEU HBy H 1 1.507 0.000 A 92 LEU HDx% H 1 0.657 0.001 A 92 LEU HDy% H 1 0.722 0.010 A 92 LEU N N 15 119.376 0.015 A 93 SER H H 1 7.759 0.003 A 93 SER HA H 1 4.238 0.000 A 93 SER HBx H 1 3.673 0.000 A 93 SER HBy H 1 3.673 0.000 A 93 SER N N 15 115.743 0.043 A 94 LYS H H 1 8.186 0.000 A 94 LYS HBx H 1 1.533 0.002 A 94 LYS HDx H 1 1.266 0.000 A 94 LYS HDy H 1 1.266 0.000 A 95 PRO HA H 1 4.254 0.086 A 95 PRO HBx H 1 1.806 0.001 A 95 PRO HBy H 1 2.111 0.001 A 95 PRO HDx H 1 3.455 0.005 A 95 PRO HDy H 1 3.616 0.007 A 95 PRO HGx H 1 1.703 0.009 A 95 PRO HGy H 1 1.703 0.009 A 95 PRO CA C 13 62.899 0.088 A 95 PRO CD C 13 47.535 0.059 A 96 MET H H 1 8.335 0.002 A 96 MET HA H 1 4.212 0.007 A 96 MET HBy H 1 2.105 0.004 A 96 MET HBx H 1 1.880 0.008 A 96 MET HGx H 1 2.411 0.006 A 96 MET HGy H 1 2.411 0.006 A 96 MET CB C 13 32.140 0.312 A 96 MET N N 15 120.778 0.047 A 97 GLU H H 1 8.325 0.054 A 97 GLU HA H 1 4.191 0.000 A 97 GLU HBy H 1 1.877 0.000 A 97 GLU HBx H 1 1.784 0.004 A 97 GLU HGx H 1 2.072 0.019 A 97 GLU HGy H 1 2.072 0.019 A 97 GLU N N 15 122.485 0.032 A 98 THR H H 1 8.076 0.003 A 98 THR HA H 1 4.179 0.005 A 98 THR HB H 1 4.023 0.056 A 98 THR HG2% H 1 1.017 0.002 A 98 THR N N 15 116.270 0.029 A 99 LEU H H 1 8.150 0.005 A 99 LEU HA H 1 4.087 0.000 A 99 LEU HDx% H 1 0.721 0.003 A 99 LEU HG H 1 1.431 0.008 A 99 LEU N N 15 125.629 0.042 A 100 ILE H H 1 8.113 0.000 A 101 THR H H 1 8.114 0.000 A 101 THR HA H 1 4.043 0.004 A 101 THR HG2% H 1 1.017 0.000 A 101 THR N N 15 118.648 0.010 A 102 THR H H 1 8.021 0.006 A 102 THR HA H 1 4.242 0.001 A 102 THR HB H 1 4.033 0.008 A 102 THR HG2% H 1 1.020 0.004 A 102 THR CB C 13 69.733 0.026 A 102 THR N N 15 117.268 0.026 A 103 VAL H H 1 8.032 0.007 A 103 VAL HA H 1 3.935 0.006 A 103 VAL HB H 1 1.894 0.005 A 103 VAL HGx% H 1 0.731 0.005 A 103 VAL HGy% H 1 0.731 0.005 A 103 VAL CA C 13 61.984 0.051 A 103 VAL CB C 13 32.581 0.053 A 103 VAL CGx C 13 17.807 0.124 A 103 VAL N N 15 122.333 0.025 A 104 ASP H H 1 8.281 0.005 A 104 ASP HA H 1 4.473 0.003 A 104 ASP HBy H 1 2.573 0.011 A 104 ASP HBx H 1 2.471 0.000 A 104 ASP N N 15 124.499 0.018 A 105 SER HA H 1 4.114 0.000 A 105 SER HBx H 1 4.004 0.000 A 105 SER HBy H 1 4.004 0.000 A 106 ASN H H 1 7.581 0.002 A 106 ASN HA H 1 4.264 0.000 A 106 ASN HBy H 1 2.977 0.000 A 106 ASN HBx H 1 2.782 0.000 A 106 ASN N N 15 127.088 0.028 A 111 THR HG2% H 1 1.025 0.001 A 112 ASN HBx H 1 2.647 0.004 A 112 ASN HBy H 1 2.705 0.003 A 112 ASN HD2x H 1 6.815 0.005 A 112 ASN HD2y H 1 7.566 0.004 A 112 ASN ND2 N 15 113.640 0.051 A 113 TRP HA H 1 4.266 0.000 A 113 TRP HBx H 1 2.855 0.000 A 113 TRP HBy H 1 2.855 0.000 A 114 VAL HA H 1 3.834 0.000 A 116 PRO HBx H 1 2.075 0.000 A 116 PRO HBy H 1 2.075 0.000 A 116 PRO HDy H 1 3.271 0.003 A 116 PRO HGx H 1 1.774 0.000 A 116 PRO HGy H 1 1.774 0.000 A 116 PRO CD C 13 47.675 0.111 A 120 ALA HA H 1 3.652 0.000 A 122 ILE H H 1 7.758 0.000 A 122 ILE HA H 1 4.474 0.690 A 122 ILE HB H 1 1.533 0.000 A 123 VAL HA H 1 4.207 0.000 A 123 VAL HGx% H 1 -2.403 0.000 A 124 ALA H H 1 8.154 0.003 A 124 ALA HB% H 1 1.230 0.006 A 124 ALA N N 15 124.593 0.010 A 125 LEU HA H 1 4.888 0.003 A 126 MET H H 1 8.144 0.013 A 126 MET HA H 1 4.040 0.002 A 126 MET HBx H 1 1.673 0.001 A 126 MET HBy H 1 1.740 0.003 A 126 MET HGx H 1 1.966 0.001 A 126 MET HGy H 1 1.966 0.001 A 126 MET N N 15 123.137 0.018 A 127 TYR H H 1 8.186 0.003 A 127 TYR HA H 1 4.487 0.006 A 127 TYR HBx H 1 2.478 0.002 A 127 TYR HBy H 1 2.584 0.005 A 127 TYR HDx H 1 6.986 0.000 A 127 TYR HDy H 1 6.986 0.000 A 127 TYR CA C 13 52.638 0.019 A 127 TYR CB C 13 38.952 0.039 A 127 TYR N N 15 119.910 0.041 A 128 ARG H H 1 8.139 0.004 A 128 ARG HDx H 1 2.984 0.014 A 128 ARG HDy H 1 2.984 0.014 A 128 ARG N N 15 121.788 0.027 A 129 LEU HBx H 1 1.362 0.000 A 129 LEU HBy H 1 1.866 0.000 A 129 LEU HDx% H 1 0.672 0.007 A 129 LEU HDy% H 1 0.633 0.003 A 129 LEU HG H 1 1.446 0.000 A 131 MET HBy H 1 1.776 0.002 A 132 ALA HA H 1 4.007 0.006 A 132 ALA HB% H 1 1.211 0.004 A 132 ALA CA C 13 52.332 0.030 A 132 ALA CB C 13 19.055 0.068 A 133 ASP H H 1 8.128 0.004 A 133 ASP HA H 1 4.439 0.007 A 133 ASP HBx H 1 2.334 0.008 A 133 ASP HBy H 1 2.537 0.004 A 133 ASP CA C 13 53.656 0.022 A 133 ASP CB C 13 41.390 0.033 A 133 ASP N N 15 120.504 0.016 A 134 ASP H H 1 7.753 0.003 A 134 ASP HA H 1 4.147 0.004 A 134 ASP HBx H 1 2.353 0.001 A 134 ASP HBy H 1 2.437 0.003 A 134 ASP CA C 13 55.487 0.016 A 134 ASP CB C 13 42.232 0.038 A 134 ASP N N 15 125.600 0.058 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 53 GLU HA A 53 GLU HGx 1.0 . 3.98 2 2 A 53 GLU HA A 53 GLU HBx 1.0 . 2.89 3 3 A 53 GLU HA A 53 GLU HBy 1.0 . 2.98 4 4 A 54 GLN HA A 54 GLN HGy 1.0 . 3.80 5 5 A 54 GLN HA A 54 GLN HGx 1.0 . 4.05 6 6 A 7 LYS HA A 7 LYS HDx 1.0 . 2.98 7 6 A 7 LYS HA A 7 LYS HDy 1.0 . 2.98 8 7 A 7 LYS HA A 7 LYS HBy 1.0 . 2.80 9 8 A 7 LYS HA A 7 LYS HEx 1.0 . 4.09 10 8 A 7 LYS HA A 7 LYS HEy 1.0 . 4.09 11 9 A 9 VAL HA A 9 VAL HB 1.0 . 3.00 12 10 A 9 VAL HA A 9 VAL HGx% 1.0 . 3.27 13 11 A 10 LYS HA A 10 LYS HGy 1.0 . 3.98 14 12 A 10 LYS HA A 10 LYS HGx 1.0 . 3.98 15 13 A 10 LYS HA A 11 TYR HBy 1.0 . 4.43 16 14 A 9 VAL HA A 10 LYS HA 1.0 . 4.66 17 15 A 10 LYS HA A 11 TYR HA 1.0 . 4.42 18 16 A 10 LYS HA A 11 TYR HD% 1.0 . 4.41 19 17 A 10 LYS HA A 83 GLU H 1.0 . 5.13 20 18 A 11 TYR HA A 85 HIS HA 1.0 . 4.57 21 19 A 10 LYS HGx A 12 TYR HA 1.0 . 4.83 22 20 A 12 TYR HA A 13 THR HG2% 1.0 . 5.06 23 21 A 13 THR HG2% A 13 THR HA 1.0 . 3.56 24 22 A 13 THR HA A 14 LEU H 1.0 . 3.35 25 23 A 12 TYR HA A 13 THR HA 1.0 . 4.44 26 24 A 13 THR HA A 85 HIS H 1.0 . 4.47 27 25 A 14 LEU HA A 14 LEU HDx% 1.0 . 4.39 28 26 A 53 GLU HA A 52 ARG HGx 1.0 . 4.13 29 26 A 53 GLU HA A 52 ARG HGy 1.0 . 4.13 30 27 A 15 GLU HA A 15 GLU HGx 1.0 . 3.34 31 27 A 15 GLU HA A 15 GLU HGy 1.0 . 3.34 32 28 A 15 GLU HA A 18 LYS HDx 1.0 . 3.64 33 28 A 15 GLU HA A 18 LYS HDy 1.0 . 3.64 34 29 A 15 GLU HA A 19 LYS HEx 1.0 . 4.40 35 29 A 15 GLU HA A 19 LYS HEy 1.0 . 4.40 36 30 A 16 GLU HA A 19 LYS HEx 1.0 . 3.92 37 30 A 19 LYS HEy A 16 GLU HA 1.0 . 3.92 38 31 A 18 LYS HA A 18 LYS HDx 1.0 . 4.05 39 31 A 18 LYS HDy A 18 LYS HA 1.0 . 4.05 40 32 A 18 LYS HA A 56 GLY HAy 1.0 . 3.66 41 33 A 18 LYS HA A 56 GLY HAx 1.0 . 3.66 42 34 A 19 LYS HA A 19 LYS HGx 1.0 . 3.40 43 34 A 19 LYS HA A 19 LYS HGy 1.0 . 3.40 44 35 A 19 LYS HA A 19 LYS HEx 1.0 . 4.45 45 35 A 19 LYS HEy A 19 LYS HA 1.0 . 4.45 46 36 A 20 HIS HA A 21 ASN HA 1.0 . 4.95 47 37 A 21 ASN HA A 26 THR HA 1.0 . 4.35 48 38 A 21 ASN HA A 55 ALA HB% 1.0 . 3.36 49 39 A 21 ASN HA A 26 THR HG2% 1.0 . 4.50 50 40 A 24 LYS HA A 24 LYS HDx 1.0 . 3.99 51 40 A 24 LYS HA A 24 LYS HDy 1.0 . 3.99 52 41 A 24 LYS HA A 38 THR HG2% 1.0 . 3.93 53 42 A 38 THR HG2% A 25 SER HA 1.0 . 3.78 54 43 A 26 THR HA A 26 THR HG2% 1.0 . 3.78 55 44 A 26 THR HA A 27 TRP HA 1.0 . 4.48 56 45 A 29 ILE HA A 34 VAL HA 1.0 . 3.88 57 46 A 34 VAL HA A 34 VAL HGx% 1.0 . 4.00 58 47 A 34 VAL HA A 34 VAL HGy% 1.0 . 4.05 59 48 A 34 VAL HA A 35 TYR H 1.0 . 3.39 60 49 A 27 TRP HA A 36 ASP HA 1.0 . 3.78 61 50 A 36 ASP HA A 27 TRP HE1 1.0 . 4.52 62 51 A 37 LEU HA A 40 PHE H 1.0 . 3.98 63 52 A 38 THR HA A 41 LEU HDx% 1.0 . 3.42 64 53 A 38 THR HA A 41 LEU HG 1.0 . 4.15 65 54 A 39 LYS HA A 39 LYS HDx 1.0 . 4.07 66 54 A 39 LYS HA A 39 LYS HDy 1.0 . 4.07 67 55 A 39 LYS HA A 39 LYS HGx 1.0 . 3.30 68 55 A 39 LYS HA A 39 LYS HGy 1.0 . 3.30 69 56 A 40 PHE HA A 43 GLU HBx 1.0 . 3.92 70 57 A 40 PHE HA A 40 PHE HDx 1.0 . 3.31 71 58 A 42 GLU HA A 42 GLU HBx 1.0 . 3.01 72 59 A 42 GLU HA A 48 GLU HBy 1.0 . 3.71 73 60 A 43 GLU HA A 43 GLU HGx 1.0 . 3.62 74 60 A 43 GLU HA A 43 GLU HGy 1.0 . 3.62 75 61 A 47 GLY H A 48 GLU HA 1.0 . 5.02 76 62 A 49 GLU HA A 49 GLU HGx 1.0 . 3.25 77 62 A 49 GLU HA A 49 GLU HGy 1.0 . 3.25 78 63 A 49 GLU HA A 52 ARG HBx 1.0 . 3.74 79 63 A 49 GLU HA A 52 ARG HBy 1.0 . 3.74 80 64 A 53 GLU HBx A 50 VAL HA 1.0 . 3.97 81 65 A 53 GLU HBy A 50 VAL HA 1.0 . 4.99 82 66 A 51 LEU H A 52 ARG HA 1.0 . 5.16 83 67 A 49 GLU HA A 52 ARG HA 1.0 . 5.50 84 68 A 26 THR HG2% A 52 ARG HA 1.0 . 3.93 85 69 A 55 ALA HA A 28 LEU HBy 1.0 . 5.50 86 70 A 52 ARG HA A 55 ALA HA 1.0 . 4.97 87 71 A 55 ALA HA A 28 LEU HA 1.0 . 4.45 88 72 A 55 ALA HA A 54 GLN H 1.0 . 4.71 89 73 A 58 ASP HA A 59 ALA HA 1.0 . 4.69 90 74 A 59 ALA HA A 28 LEU HDy% 1.0 . 5.50 91 75 A 59 ALA HA A 28 LEU HDx% 1.0 . 5.50 92 76 A 59 ALA HA A 54 GLN HBx 1.0 . 4.45 93 77 A 54 GLN HGx A 59 ALA HA 1.0 . 4.69 94 78 A 30 LEU HA A 60 THR HA 1.0 . 4.22 95 79 A 60 THR HA A 62 ASN H 1.0 . 4.51 96 80 A 61 GLU HA A 61 GLU HGy 1.0 . 4.14 97 81 A 61 GLU HA A 64 GLU H 1.0 . 3.91 98 82 A 61 GLU HA A 60 THR HG2% 1.0 . 4.09 99 83 A 62 ASN HA A 65 ASP HBy 1.0 . 3.45 100 84 A 62 ASN HA A 65 ASP HBx 1.0 . 5.32 101 85 A 65 ASP HA A 66 VAL HA 1.0 . 4.84 102 86 A 65 ASP HBx A 66 VAL HA 1.0 . 4.72 103 87 A 65 ASP HBy A 66 VAL HA 1.0 . 5.08 104 88 A 73 ARG HA A 73 ARG HGx 1.0 . 3.96 105 88 A 73 ARG HA A 73 ARG HGy 1.0 . 3.96 106 89 A 73 ARG HA A 73 ARG HDx 1.0 . 4.57 107 89 A 73 ARG HA A 73 ARG HDy 1.0 . 4.57 108 90 A 73 ARG HA A 76 SER HBx 1.0 . 4.66 109 90 A 73 ARG HA A 76 SER HBy 1.0 . 4.66 110 91 A 74 GLU HA A 74 GLU HGx 1.0 . 3.65 111 92 A 73 ARG HA A 74 GLU HA 1.0 . 4.89 112 93 A 76 SER HA A 79 PHE HD% 1.0 . 4.24 113 94 A 16 GLU HA A 19 LYS HDx 1.0 . 4.40 114 94 A 16 GLU HA A 19 LYS HDy 1.0 . 4.40 115 95 A 16 GLU HA A 19 LYS HGx 1.0 . 4.21 116 95 A 16 GLU HA A 19 LYS HGy 1.0 . 4.21 117 96 A 77 LYS HA A 80 ILE HG21 1.0 . 4.70 118 97 A 77 LYS HA A 80 ILE HG21 1.0 . 3.68 119 98 A 77 LYS HA A 80 ILE HG1x 1.0 . 5.29 120 98 A 77 LYS HA A 80 ILE HG1y 1.0 . 5.29 121 99 A 78 THR HA A 78 THR HB 1.0 . 2.62 122 100 A 78 THR HA A 78 THR HG2% 1.0 . 3.27 123 101 A 34 VAL HA A 80 ILE HA 1.0 . 5.50 124 102 A 77 LYS HA A 80 ILE HA 1.0 . 5.50 125 103 A 81 ILE HA A 81 ILE HG21 1.0 . 3.33 126 104 A 82 GLY HAx A 10 LYS HBx 1.0 . 4.27 127 104 A 10 LYS HBy A 82 GLY HAx 1.0 . 4.27 128 105 A 82 GLY HAx A 12 TYR H 1.0 . 5.20 129 106 A 82 GLY HAx A 81 ILE H 1.0 . 5.50 130 107 A 82 GLY HAx A 34 VAL HB 1.0 . 4.76 131 108 A 89 ARG HA A 89 ARG HGx 1.0 . 3.60 132 108 A 89 ARG HA A 89 ARG HGy 1.0 . 3.60 133 109 A 41 LEU HG A 48 GLU HBy 1.0 . 5.31 134 110 A 34 VAL HGy% A 17 ILE HG2% 1.0 . 3.94 135 111 A 60 THR HG2% A 31 HIS HBx 1.0 . 4.47 136 111 A 60 THR HG2% A 31 HIS HBy 1.0 . 4.47 137 112 A 60 THR HG2% A 64 GLU HGx 1.0 . 5.07 138 113 A 60 THR HG2% A 64 GLU HGy 1.0 . 5.07 139 114 A 81 ILE HG21 A 81 ILE HD1% 1.0 . 4.79 140 115 A 78 THR HG2% A 75 LEU HA 1.0 . 4.02 141 116 A 41 LEU HG A 38 THR H 1.0 . 5.27 142 117 A 41 LEU HG A 42 GLU H 1.0 . 5.50 143 118 A 64 GLU H A 62 ASN HBy 1.0 . 5.10 144 119 A 77 LYS HA A 80 ILE HB 1.0 . 4.56 145 120 A 80 ILE HB A 80 ILE HD1% 1.0 . 4.14 146 121 A 80 ILE HB A 35 TYR HA 1.0 . 5.09 147 122 A 58 ASP HA A 29 ILE HB 1.0 . 4.14 148 123 A 29 ILE HB A 58 ASP H 1.0 . 4.33 149 124 A 29 ILE HB A 59 ALA HB% 1.0 . 5.28 150 125 A 41 LEU HBy A 48 GLU HBx 1.0 . 4.25 151 126 A 41 LEU HBy A 51 LEU HBx 1.0 . 4.28 152 126 A 41 LEU HBy A 51 LEU HBy 1.0 . 4.28 153 127 A 48 GLU HBy A 41 LEU HBy 1.0 . 3.79 154 128 A 41 LEU HDx% A 41 LEU HBy 1.0 . 3.59 155 129 A 27 TRP HA A 28 LEU HA 1.0 . 4.74 156 130 A 27 TRP HA A 36 ASP HBy 1.0 . 4.66 157 131 A 48 GLU HA A 47 GLY HAy 1.0 . 4.94 158 132 A 48 GLU HA A 47 GLY HAx 1.0 . 4.94 159 133 A 81 ILE HG21 A 79 PHE HA 1.0 . 5.29 160 134 A 48 GLU HA A 48 GLU HGx 1.0 . 3.70 161 134 A 48 GLU HA A 48 GLU HGy 1.0 . 3.70 162 135 A 42 GLU HA A 48 GLU HGx 1.0 . 4.68 163 135 A 42 GLU HA A 48 GLU HGy 1.0 . 4.68 164 136 A 49 GLU HA A 48 GLU HGx 1.0 . 4.37 165 136 A 49 GLU HA A 48 GLU HGy 1.0 . 4.37 166 137 A 41 LEU HDy% A 48 GLU HGx 1.0 . 5.14 167 137 A 48 GLU HGy A 41 LEU HDy% 1.0 . 5.14 168 138 A 51 LEU H A 48 GLU HGx 1.0 . 5.14 169 138 A 51 LEU H A 48 GLU HGy 1.0 . 5.14 170 139 A 42 GLU H A 48 GLU HGx 1.0 . 5.34 171 139 A 42 GLU H A 48 GLU HGy 1.0 . 5.34 172 140 A 50 VAL H A 48 GLU HGx 1.0 . 4.69 173 140 A 48 GLU HGy A 50 VAL H 1.0 . 4.69 174 141 A 59 ALA HA A 62 ASN HBx 1.0 . 4.84 175 142 A 59 ALA HA A 62 ASN HBy 1.0 . 4.73 176 143 A 11 TYR HA A 83 GLU HBx 1.0 . 4.98 177 144 A 9 VAL HB A 82 GLY HAy 1.0 . 3.91 178 145 A 9 VAL HB A 8 ASP HA 1.0 . 4.58 179 146 A 9 VAL HB A 9 VAL H 1.0 . 3.35 180 147 A 69 SER HA A 70 THR H 1.0 . 3.47 181 148 A 26 THR H A 25 SER HBx 1.0 . 5.30 182 149 A 78 THR HB A 79 PHE H 1.0 . 4.33 183 150 A 78 THR HB A 77 LYS H 1.0 . 4.70 184 151 A 79 PHE HD% A 78 THR HB 1.0 . 5.22 185 152 A 78 THR HB A 75 LEU HA 1.0 . 4.18 186 153 A 85 HIS HA A 86 PRO HDy 1.0 . 3.72 187 154 A 31 HIS HA A 33 LYS H 1.0 . 5.50 188 155 A 60 THR HG2% A 31 HIS HA 1.0 . 4.22 189 156 A 53 GLU HA A 52 ARG HDx 1.0 . 3.67 190 156 A 53 GLU HA A 52 ARG HDy 1.0 . 3.67 191 157 A 49 GLU HA A 52 ARG HDx 1.0 . 3.59 192 157 A 49 GLU HA A 52 ARG HDy 1.0 . 3.59 193 158 A 52 ARG H A 52 ARG HDx 1.0 . 4.00 194 158 A 52 ARG HDy A 52 ARG H 1.0 . 4.00 195 159 A 53 GLU H A 52 ARG HDx 1.0 . 4.03 196 159 A 52 ARG HDy A 53 GLU H 1.0 . 4.03 197 160 A 52 ARG HBx A 52 ARG HDx 1.0 . 3.07 198 160 A 52 ARG HDy A 52 ARG HBx 1.0 . 3.07 199 160 A 52 ARG HBy A 52 ARG HDy 1.0 . 3.07 200 160 A 52 ARG HBy A 52 ARG HDx 1.0 . 3.07 201 161 A 95 PRO HA A 96 MET H 1.0 . 2.96 202 162 A 69 SER HA A 70 THR HA 1.0 . 4.56 203 163 A 70 THR HA A 73 ARG HGx 1.0 . 4.23 204 163 A 73 ARG HGy A 70 THR HA 1.0 . 4.23 205 164 A 70 THR HA A 73 ARG HDx 1.0 . 4.36 206 164 A 73 ARG HDy A 70 THR HA 1.0 . 4.36 207 165 A 70 THR HA A 74 GLU H 1.0 . 4.81 208 166 A 73 ARG HA A 70 THR HA 1.0 . 5.50 209 167 A 70 THR H A 70 THR HB 1.0 . 3.33 210 168 A 41 LEU HDx% A 41 LEU HBx 1.0 . 3.58 211 169 A 41 LEU HDy% A 41 LEU HBx 1.0 . 3.81 212 170 A 48 GLU HBy A 41 LEU HBx 1.0 . 4.05 213 171 A 38 THR H A 26 THR HB 1.0 . 4.54 214 172 A 70 THR HG2% A 74 GLU HGy 1.0 . 3.77 215 173 A 70 THR HG2% A 74 GLU HGx 1.0 . 3.77 216 174 A 70 THR HG2% A 74 GLU HBx 1.0 . 5.40 217 175 A 70 THR HA A 70 THR HG2% 1.0 . 2.93 218 176 A 70 THR HG2% A 73 ARG H 1.0 . 4.55 219 177 A 61 GLU H A 61 GLU HBy 1.0 . 3.64 220 178 A 74 GLU HA A 73 ARG H 1.0 . 5.24 221 179 A 74 GLU HA A 76 SER H 1.0 . 4.77 222 180 A 74 GLU HA A 77 LYS HBy 1.0 . 3.60 223 181 A 74 GLU HA A 77 LYS HGx 1.0 . 4.66 224 181 A 74 GLU HA A 77 LYS HGy 1.0 . 4.66 225 182 A 34 VAL HA A 35 TYR HD% 1.0 . 4.04 226 183 A 9 VAL HA A 82 GLY HAy 1.0 . 3.77 227 184 A 9 VAL HA A 8 ASP HA 1.0 . 5.03 228 185 A 9 VAL HA A 81 ILE HA 1.0 . 5.40 229 186 A 60 THR HB A 61 GLU HBx 1.0 . 4.71 230 187 A 71 ASP H A 69 SER HBy 1.0 . 4.32 231 188 A 82 GLY HAy A 83 GLU HA 1.0 . 5.41 232 189 A 82 GLY HAx A 83 GLU HA 1.0 . 4.63 233 190 A 21 ASN H A 22 HIS HA 1.0 . 5.17 234 191 A 16 GLU HBy A 16 GLU HGx 1.0 . 2.76 235 191 A 16 GLU HBy A 16 GLU HGy 1.0 . 2.76 236 192 A 16 GLU HA A 16 GLU HGx 1.0 . 3.68 237 192 A 16 GLU HA A 16 GLU HGy 1.0 . 3.68 238 193 A 12 TYR HD% A 16 GLU HGx 1.0 . 3.74 239 193 A 16 GLU HGy A 12 TYR HD% 1.0 . 3.74 240 194 A 48 GLU HBx A 41 LEU HDy% 1.0 . 5.29 241 195 A 9 VAL H A 9 VAL HGy% 1.0 . 3.97 242 196 A 9 VAL HGy% A 83 GLU HBy 1.0 . 4.28 243 197 A 9 VAL HGy% A 83 GLU HGx 1.0 . 4.69 244 197 A 9 VAL HGy% A 83 GLU HGy 1.0 . 4.69 245 198 A 82 GLY HAy A 9 VAL HGy% 1.0 . 4.19 246 199 A 82 GLY HAx A 9 VAL HGy% 1.0 . 4.98 247 200 A 8 ASP HA A 9 VAL HGy% 1.0 . 5.50 248 201 A 54 GLN HBx A 59 ALA HB% 1.0 . 4.47 249 202 A 54 GLN HGx A 59 ALA HB% 1.0 . 4.78 250 203 A 59 ALA HB% A 28 LEU HDx% 1.0 . 4.39 251 204 A 59 ALA HB% A 28 LEU HBx 1.0 . 5.11 252 205 A 30 LEU HA A 60 THR HG2% 1.0 . 4.53 253 206 A 81 ILE HG21 A 36 ASP HBx 1.0 . 3.97 254 207 A 81 ILE HG21 A 81 ILE HD1% 1.0 . 4.05 255 208 A 80 ILE HA A 81 ILE HG21 1.0 . 4.69 256 209 A 14 LEU HA A 14 LEU HDy% 1.0 . 4.39 257 210 A 42 GLU HBx A 43 GLU H 1.0 . 4.52 258 211 A 43 GLU H A 42 GLU HBy 1.0 . 4.42 259 212 A 16 GLU HBy A 12 TYR HD% 1.0 . 5.11 260 213 A 71 ASP HA A 74 GLU HBy 1.0 . 3.94 261 214 A 74 GLU HBy A 73 ARG HDx 1.0 . 5.46 262 214 A 73 ARG HDy A 74 GLU HBy 1.0 . 5.46 263 215 A 74 GLU HBx A 71 ASP HA 1.0 . 5.25 264 216 A 74 GLU H A 74 GLU HBx 1.0 . 3.65 265 217 A 50 VAL H A 49 GLU HBx 1.0 . 4.04 266 218 A 42 GLU H A 42 GLU HBy 1.0 . 3.79 267 219 A 74 GLU HA A 74 GLU HGy 1.0 . 3.65 268 220 A 75 LEU H A 74 GLU HGx 1.0 . 4.88 269 221 A 75 LEU H A 74 GLU HGy 1.0 . 4.88 270 222 A 64 GLU H A 62 ASN HBx 1.0 . 5.50 271 223 A 62 ASN HBx A 65 ASP H 1.0 . 5.50 272 224 A 14 LEU HA A 17 ILE HB 1.0 . 4.98 273 225 A 17 ILE HB A 18 LYS H 1.0 . 4.40 274 226 A 55 ALA HB% A 21 ASN HBx 1.0 . 4.19 275 227 A 55 ALA HB% A 26 THR HG2% 1.0 . 3.54 276 228 A 29 ILE H A 29 ILE HG1y 1.0 . 4.96 277 229 A 81 ILE HG21 A 82 GLY H 1.0 . 4.78 278 230 A 34 VAL HGx% A 35 TYR HA 1.0 . 5.27 279 231 A 34 VAL HGx% A 82 GLY HAx 1.0 . 5.33 280 232 A 34 VAL HGx% A 84 LEU HA 1.0 . 5.36 281 233 A 34 VAL HGx% A 17 ILE HG2% 1.0 . 4.26 282 234 A 34 VAL HGx% A 17 ILE HA 1.0 . 5.19 283 235 A 34 VAL HGy% A 84 LEU HA 1.0 . 4.95 284 236 A 11 TYR HA A 34 VAL HGy% 1.0 . 4.98 285 237 A 38 THR HG2% A 38 THR HA 1.0 . 3.34 286 238 A 38 THR HG2% A 39 LYS HA 1.0 . 4.40 287 239 A 38 THR HG2% A 37 LEU H 1.0 . 4.76 288 240 A 38 THR HG2% A 26 THR HB 1.0 . 4.22 289 241 A 104 ASP H A 103 VAL HGx% 1.0 . 3.80 290 241 A 103 VAL HGy% A 104 ASP H 1.0 . 3.80 291 242 A 11 TYR HBx A 86 PRO HDx 1.0 . 5.21 292 243 A 85 HIS HBx A 86 PRO HDx 1.0 . 5.44 293 244 A 11 TYR HBx A 86 PRO HDy 1.0 . 5.21 294 245 A 85 HIS HBx A 86 PRO HDy 1.0 . 5.44 295 246 A 88 ASP H A 86 PRO HDy 1.0 . 5.50 296 247 A 55 ALA HA A 28 LEU HBx 1.0 . 5.50 297 248 A 59 ALA HB% A 28 LEU HBy 1.0 . 5.11 298 249 A 81 ILE HG21 A 36 ASP HBy 1.0 . 4.51 299 250 A 9 VAL H A 8 ASP HBx 1.0 . 3.82 300 251 A 96 MET H A 95 PRO HDy 1.0 . 5.50 301 252 A 103 VAL HA A 103 VAL HGx% 1.0 . 2.65 302 252 A 103 VAL HGy% A 103 VAL HA 1.0 . 2.65 303 253 A 104 ASP H A 103 VAL HA 1.0 . 3.13 304 254 A 84 LEU HA A 89 ARG HGx 1.0 . 4.87 305 254 A 89 ARG HGy A 84 LEU HA 1.0 . 4.87 306 255 A 79 PHE HD% A 75 LEU HG 1.0 . 4.74 307 256 A 78 THR HB A 75 LEU HG 1.0 . 5.50 308 257 A 45 PRO HA A 46 GLY H 1.0 . 3.46 309 258 A 39 LYS HEx A 39 LYS HGx 1.0 . 3.91 310 258 A 39 LYS HEy A 39 LYS HGx 1.0 . 3.91 311 258 A 39 LYS HGy A 39 LYS HEx 1.0 . 3.91 312 258 A 39 LYS HGy A 39 LYS HEy 1.0 . 3.91 313 259 A 85 HIS HA A 11 TYR HE% 1.0 . 4.62 314 260 A 85 HIS HA A 88 ASP H 1.0 . 5.02 315 261 A 85 HIS HA A 83 GLU HBx 1.0 . 5.50 316 262 A 85 HIS HBx A 86 PRO HA 1.0 . 4.96 317 263 A 55 ALA HB% A 21 ASN HBy 1.0 . 4.61 318 264 A 79 PHE HZ A 79 PHE HBx 1.0 . 5.41 319 264 A 79 PHE HBy A 79 PHE HZ 1.0 . 5.41 320 265 A 103 VAL H A 103 VAL HB 1.0 . 3.77 321 266 A 104 ASP H A 103 VAL HB 1.0 . 4.47 322 267 A 26 THR HG2% A 41 LEU HDy% 1.0 . 3.18 323 268 A 48 GLU HA A 41 LEU HDy% 1.0 . 3.94 324 269 A 41 LEU HDy% A 41 LEU HA 1.0 . 3.33 325 270 A 41 LEU HBy A 41 LEU HDy% 1.0 . 3.58 326 271 A 41 LEU HDy% A 51 LEU HBx 1.0 . 3.55 327 271 A 51 LEU HBy A 41 LEU HDy% 1.0 . 3.55 328 272 A 40 PHE H A 41 LEU HDy% 1.0 . 4.10 329 273 A 59 ALA HB% A 28 LEU HDy% 1.0 . 4.39 330 274 A 59 ALA HB% A 54 GLN HBy 1.0 . 5.16 331 275 A 53 GLU HGx A 54 GLN HGy 1.0 . 3.10 332 276 A 54 GLN HGy A 53 GLU H 1.0 . 4.11 333 277 A 44 HIS H A 43 GLU HBy 1.0 . 4.36 334 278 A 34 VAL HGy% A 83 GLU HA 1.0 . 4.45 335 279 A 83 GLU HA A 33 LYS HA 1.0 . 3.78 336 280 A 83 GLU HA A 83 GLU HGx 1.0 . 3.93 337 280 A 83 GLU HA A 83 GLU HGy 1.0 . 3.93 338 281 A 83 GLU HA A 33 LYS HGx 1.0 . 4.59 339 281 A 83 GLU HA A 33 LYS HGy 1.0 . 4.59 340 282 A 83 GLU HBx A 11 TYR HE% 1.0 . 4.61 341 283 A 48 GLU HBy A 49 GLU H 1.0 . 4.20 342 284 A 48 GLU HBy A 48 GLU H 1.0 . 4.13 343 285 A 42 GLU HA A 48 GLU HBx 1.0 . 4.37 344 286 A 48 GLU HBy A 49 GLU HA 1.0 . 4.91 345 287 A 49 GLU HA A 48 GLU HBx 1.0 . 5.50 346 288 A 48 GLU HBx A 41 LEU HBx 1.0 . 4.96 347 289 A 48 GLU HBx A 42 GLU HBy 1.0 . 5.18 348 290 A 48 GLU HBy A 41 LEU HDy% 1.0 . 4.18 349 291 A 42 GLU HBx A 48 GLU HBx 1.0 . 4.26 350 292 A 14 LEU H A 15 GLU HA 1.0 . 5.50 351 293 A 40 PHE HA A 79 PHE HE% 1.0 . 5.00 352 294 A 81 ILE HD1% A 27 TRP HE3 1.0 . 4.88 353 295 A 62 ASN H A 61 GLU HBy 1.0 . 4.22 354 296 A 53 GLU HA A 54 GLN HGy 1.0 . 4.85 355 297 A 29 ILE HA A 35 TYR HD% 1.0 . 4.21 356 298 A 48 GLU HA A 41 LEU HA 1.0 . 4.55 357 299 A 45 PRO HA A 46 GLY HAx 1.0 . 4.05 358 299 A 45 PRO HA A 46 GLY HAy 1.0 . 4.05 359 300 A 41 LEU HDx% A 26 THR HB 1.0 . 3.67 360 301 A 26 THR HB A 38 THR HB 1.0 . 3.44 361 302 A 21 ASN HA A 26 THR HB 1.0 . 4.86 362 303 A 41 LEU HG A 26 THR HB 1.0 . 4.74 363 304 A 41 LEU HDy% A 26 THR HB 1.0 . 4.04 364 305 A 102 THR H A 102 THR HB 1.0 . 3.73 365 306 A 103 VAL H A 102 THR HB 1.0 . 4.21 366 307 A 11 TYR HA A 12 TYR HA 1.0 . 4.55 367 308 A 12 TYR HA A 16 GLU HBy 1.0 . 5.50 368 309 A 12 TYR HA A 34 VAL HGy% 1.0 . 5.41 369 310 A 40 PHE HA A 44 HIS H 1.0 . 4.92 370 311 A 64 GLU H A 62 ASN HA 1.0 . 4.43 371 312 A 14 LEU H A 15 GLU H 1.0 . 3.34 372 313 A 58 ASP H A 57 GLY HAy 1.0 . 3.10 373 314 A 58 ASP H A 57 GLY H 1.0 . 4.56 374 315 A 58 ASP HA A 59 ALA H 1.0 . 3.33 375 316 A 62 ASN H A 59 ALA H 1.0 . 5.50 376 317 A 59 ALA HA A 62 ASN H 1.0 . 3.78 377 318 A 59 ALA HA A 63 PHE H 1.0 . 4.68 378 319 A 64 GLU H A 63 PHE H 1.0 . 3.55 379 320 A 65 ASP H A 63 PHE H 1.0 . 4.50 380 321 A 62 ASN HA A 65 ASP H 1.0 . 3.64 381 322 A 64 GLU HA A 66 VAL H 1.0 . 4.69 382 323 A 64 GLU HA A 67 GLY H 1.0 . 4.35 383 324 A 65 ASP HA A 67 GLY H 1.0 . 4.78 384 325 A 64 GLU H A 67 GLY H 1.0 . 5.35 385 326 A 70 THR H A 69 SER H 1.0 . 4.70 386 327 A 70 THR H A 70 THR HG2% 1.0 . 3.89 387 328 A 70 THR HG2% A 71 ASP H 1.0 . 3.90 388 329 A 71 ASP H A 71 ASP HBx 1.0 . 3.29 389 330 A 71 ASP H A 71 ASP HBy 1.0 . 3.29 390 331 A 70 THR HB A 71 ASP H 1.0 . 3.18 391 332 A 71 ASP H A 72 ALA H 1.0 . 3.49 392 333 A 70 THR H A 71 ASP H 1.0 . 3.72 393 334 A 72 ALA H A 71 ASP HBy 1.0 . 4.24 394 335 A 72 ALA H A 71 ASP HBx 1.0 . 4.24 395 336 A 73 ARG H A 71 ASP H 1.0 . 4.45 396 337 A 74 GLU H A 73 ARG H 1.0 . 3.37 397 338 A 74 GLU H A 75 LEU H 1.0 . 3.09 398 339 A 76 SER H A 75 LEU H 1.0 . 3.58 399 340 A 77 LYS H A 76 SER H 1.0 . 3.32 400 341 A 77 LYS H A 74 GLU H 1.0 . 5.13 401 342 A 77 LYS H A 75 LEU H 1.0 . 4.19 402 343 A 77 LYS H A 78 THR H 1.0 . 3.07 403 344 A 76 SER H A 78 THR H 1.0 . 4.35 404 345 A 78 THR HA A 79 PHE H 1.0 . 3.46 405 346 A 79 PHE H A 78 THR H 1.0 . 3.07 406 347 A 78 THR HA A 80 ILE H 1.0 . 4.30 407 348 A 77 LYS HA A 80 ILE H 1.0 . 3.69 408 349 A 74 GLU HA A 77 LYS H 1.0 . 3.91 409 350 A 79 PHE H A 80 ILE H 1.0 . 2.90 410 351 A 78 THR H A 80 ILE H 1.0 . 4.19 411 352 A 81 ILE H A 82 GLY H 1.0 . 2.99 412 353 A 83 GLU H A 82 GLY HAy 1.0 . 3.17 413 354 A 83 GLU H A 82 GLY H 1.0 . 4.48 414 355 A 83 GLU H A 84 LEU H 1.0 . 4.60 415 356 A 85 HIS H A 84 LEU H 1.0 . 4.77 416 357 A 88 ASP H A 87 ASP H 1.0 . 3.19 417 358 A 87 ASP HA A 89 ARG H 1.0 . 4.41 418 359 A 88 ASP H A 89 ARG H 1.0 . 3.01 419 360 A 87 ASP H A 89 ARG H 1.0 . 3.97 420 361 A 49 GLU H A 48 GLU H 1.0 . 3.74 421 362 A 50 VAL H A 49 GLU H 1.0 . 3.55 422 363 A 50 VAL H A 48 GLU H 1.0 . 4.62 423 364 A 51 LEU H A 50 VAL H 1.0 . 3.68 424 365 A 50 VAL HA A 52 ARG H 1.0 . 4.70 425 366 A 51 LEU H A 52 ARG H 1.0 . 3.06 426 367 A 50 VAL H A 52 ARG H 1.0 . 4.18 427 368 A 53 GLU HA A 53 GLU H 1.0 . 2.86 428 369 A 50 VAL HA A 53 GLU H 1.0 . 4.07 429 370 A 52 ARG H A 53 GLU H 1.0 . 3.18 430 371 A 51 LEU H A 53 GLU H 1.0 . 4.04 431 372 A 50 VAL H A 53 GLU H 1.0 . 4.95 432 373 A 54 GLN H A 53 GLU H 1.0 . 3.06 433 374 A 54 GLN H A 52 ARG H 1.0 . 4.06 434 375 A 53 GLU HA A 54 GLN H 1.0 . 3.46 435 376 A 52 ARG HA A 54 GLN H 1.0 . 3.87 436 377 A 54 GLN H A 55 ALA H 1.0 . 2.56 437 378 A 53 GLU H A 55 ALA H 1.0 . 4.15 438 379 A 52 ARG H A 55 ALA H 1.0 . 4.96 439 380 A 54 GLN HA A 55 ALA H 1.0 . 3.47 440 381 A 53 GLU HA A 55 ALA H 1.0 . 4.18 441 382 A 52 ARG HA A 55 ALA H 1.0 . 3.35 442 383 A 55 ALA H A 56 GLY H 1.0 . 4.74 443 384 A 55 ALA HA A 56 GLY H 1.0 . 3.05 444 385 A 55 ALA HB% A 56 GLY H 1.0 . 3.43 445 386 A 55 ALA HA A 57 GLY H 1.0 . 3.59 446 387 A 57 GLY H A 56 GLY H 1.0 . 2.86 447 388 A 57 GLY H A 55 ALA H 1.0 . 5.18 448 389 A 20 HIS HA A 21 ASN H 1.0 . 3.40 449 390 A 21 ASN H A 20 HIS H 1.0 . 3.57 450 391 A 20 HIS HA A 22 HIS H 1.0 . 3.87 451 392 A 21 ASN H A 22 HIS H 1.0 . 3.71 452 393 A 21 ASN HA A 22 HIS H 1.0 . 3.04 453 394 A 24 LYS HA A 25 SER H 1.0 . 3.32 454 395 A 22 HIS H A 24 LYS H 1.0 . 4.53 455 396 A 25 SER H A 24 LYS H 1.0 . 3.13 456 397 A 22 HIS H A 25 SER H 1.0 . 3.74 457 398 A 25 SER H A 23 SER H 1.0 . 3.07 458 399 A 38 THR H A 26 THR H 1.0 . 4.85 459 400 A 47 GLY H A 48 GLU H 1.0 . 4.49 460 401 A 43 GLU H A 44 HIS H 1.0 . 2.94 461 402 A 82 GLY H A 34 VAL H 1.0 . 3.88 462 403 A 15 GLU H A 16 GLU H 1.0 . 3.13 463 404 A 14 LEU H A 16 GLU H 1.0 . 4.30 464 405 A 16 GLU H A 17 ILE H 1.0 . 3.22 465 406 A 18 LYS H A 16 GLU H 1.0 . 3.86 466 407 A 16 GLU H A 19 LYS H 1.0 . 5.38 467 408 A 8 ASP H A 8 ASP HBx 1.0 . 4.02 468 409 A 8 ASP H A 8 ASP HBy 1.0 . 4.02 469 410 A 9 VAL H A 8 ASP HBy 1.0 . 3.82 470 411 A 8 ASP HA A 9 VAL H 1.0 . 2.40 471 412 A 9 VAL H A 10 LYS H 1.0 . 4.08 472 413 A 9 VAL HA A 10 LYS H 1.0 . 2.40 473 414 A 81 ILE HA A 10 LYS H 1.0 . 5.32 474 415 A 7 LYS HA A 8 ASP H 1.0 . 2.69 475 416 A 12 TYR H A 13 THR H 1.0 . 4.73 476 417 A 74 GLU H A 72 ALA H 1.0 . 4.26 477 418 A 66 VAL H A 67 GLY H 1.0 . 3.68 478 419 A 42 GLU H A 44 HIS H 1.0 . 4.40 479 420 A 83 GLU H A 12 TYR H 1.0 . 3.42 480 421 A 38 THR H A 39 LYS H 1.0 . 3.90 481 422 A 62 ASN H A 64 GLU H 1.0 . 4.04 482 423 A 26 THR H A 25 SER H 1.0 . 3.72 483 424 A 35 TYR H A 28 LEU H 1.0 . 3.64 484 425 A 12 TYR H A 11 TYR H 1.0 . 4.47 485 426 A 18 LYS H A 17 ILE H 1.0 . 3.24 486 427 A 38 THR H A 37 LEU H 1.0 . 3.40 487 428 A 43 GLU H A 41 LEU H 1.0 . 3.99 488 429 A 42 GLU H A 43 GLU H 1.0 . 2.82 489 430 A 29 ILE H A 59 ALA H 1.0 . 3.64 490 431 A 59 ALA H A 60 THR H 1.0 . 3.51 491 432 A 65 ASP H A 66 VAL H 1.0 . 3.33 492 433 A 40 PHE H A 41 LEU H 1.0 . 2.91 493 434 A 40 PHE H A 39 LYS H 1.0 . 3.33 494 435 A 40 PHE H A 42 GLU H 1.0 . 5.10 495 436 A 40 PHE H A 38 THR H 1.0 . 4.21 496 437 A 83 GLU H A 10 LYS H 1.0 . 4.10 497 438 A 62 ASN H A 63 PHE H 1.0 . 3.11 498 439 A 29 ILE H A 57 GLY H 1.0 . 4.37 499 440 A 18 LYS H A 19 LYS H 1.0 . 3.16 500 441 A 42 GLU H A 41 LEU H 1.0 . 3.21 501 442 A 61 GLU H A 60 THR H 1.0 . 3.50 502 443 A 20 HIS H A 19 LYS H 1.0 . 2.94 503 444 A 62 ASN H A 60 THR H 1.0 . 4.07 504 445 A 16 GLU H A 13 THR H 1.0 . 4.20 505 446 A 62 ASN H A 61 GLU H 1.0 . 2.84 506 447 A 40 PHE H A 40 PHE HDx 1.0 . 3.91 507 448 A 21 ASN H A 22 HIS HD2 1.0 . 3.41 508 449 A 22 HIS H A 22 HIS HD2 1.0 . 3.41 509 450 A 21 ASN H A 19 LYS H 1.0 . 4.20 510 451 A 11 TYR HD% A 11 TYR H 1.0 . 3.53 511 452 A 11 TYR HD% A 83 GLU H 1.0 . 4.18 512 453 A 83 GLU H A 12 TYR HD% 1.0 . 4.47 513 454 A 12 TYR H A 12 TYR HD% 1.0 . 3.39 514 455 A 12 TYR HD% A 13 THR H 1.0 . 3.71 515 456 A 12 TYR HD% A 82 GLY H 1.0 . 4.52 516 457 A 54 GLN HE2y A 62 ASN HD2y 1.0 . 4.46 517 458 A 54 GLN H A 54 GLN HE2x 1.0 . 5.06 518 459 A 35 TYR H A 35 TYR HD% 1.0 . 3.75 519 460 A 79 PHE H A 35 TYR HD% 1.0 . 3.71 520 461 A 21 ASN H A 21 ASN HD2y 1.0 . 4.24 521 462 A 83 GLU H A 12 TYR HE% 1.0 . 5.18 522 463 A 82 GLY H A 12 TYR HE% 1.0 . 4.68 523 464 A 30 LEU H A 35 TYR HE% 1.0 . 3.34 524 465 A 54 GLN HE2x A 62 ASN HD2x 1.0 . 3.89 525 466 A 49 GLU H A 47 GLY HAy 1.0 . 4.67 526 467 A 27 TRP HA A 37 LEU H 1.0 . 3.94 527 468 A 27 TRP HA A 28 LEU H 1.0 . 3.12 528 469 A 11 TYR HA A 83 GLU H 1.0 . 3.67 529 470 A 11 TYR HA A 12 TYR H 1.0 . 2.98 530 471 A 40 PHE HA A 43 GLU H 1.0 . 3.83 531 472 A 40 PHE HA A 42 GLU H 1.0 . 4.68 532 473 A 65 ASP HBy A 65 ASP H 1.0 . 3.09 533 474 A 65 ASP HBy A 66 VAL H 1.0 . 3.69 534 475 A 65 ASP HBx A 66 VAL H 1.0 . 3.74 535 476 A 7 LYS H A 7 LYS HDx 1.0 . 3.51 536 476 A 7 LYS HDy A 7 LYS H 1.0 . 3.51 537 477 A 7 LYS H A 7 LYS HBx 1.0 . 2.83 538 478 A 7 LYS HBy A 7 LYS H 1.0 . 3.81 539 479 A 7 LYS HBy A 8 ASP H 1.0 . 3.84 540 480 A 8 ASP H A 7 LYS HBx 1.0 . 4.71 541 481 A 8 ASP H A 7 LYS HDx 1.0 . 4.84 542 481 A 7 LYS HDy A 8 ASP H 1.0 . 4.84 543 482 A 12 TYR HA A 13 THR H 1.0 . 2.85 544 483 A 13 THR HG2% A 13 THR H 1.0 . 3.37 545 484 A 12 TYR H A 11 TYR HBx 1.0 . 4.02 546 485 A 11 TYR HBy A 12 TYR H 1.0 . 4.67 547 486 A 12 TYR H A 12 TYR HBx 1.0 . 3.92 548 487 A 12 TYR H A 12 TYR HBy 1.0 . 3.92 549 488 A 13 THR H A 16 GLU HBx 1.0 . 3.53 550 489 A 14 LEU H A 13 THR H 1.0 . 4.68 551 490 A 82 GLY HAx A 10 LYS H 1.0 . 4.10 552 491 A 13 THR HA A 15 GLU H 1.0 . 4.32 553 492 A 13 THR HA A 16 GLU H 1.0 . 4.45 554 493 A 13 THR HG2% A 14 LEU H 1.0 . 3.91 555 494 A 9 VAL HGx% A 9 VAL H 1.0 . 2.43 556 495 A 9 VAL HGy% A 10 LYS H 1.0 . 2.98 557 496 A 10 LYS H A 10 LYS HBx 1.0 . 2.71 558 496 A 10 LYS HBy A 10 LYS H 1.0 . 2.71 559 497 A 14 LEU HA A 17 ILE H 1.0 . 4.11 560 498 A 14 LEU HA A 18 LYS H 1.0 . 4.50 561 499 A 15 GLU HA A 18 LYS H 1.0 . 3.97 562 500 A 17 ILE H A 19 LYS H 1.0 . 4.43 563 501 A 17 ILE HA A 19 LYS H 1.0 . 3.90 564 502 A 26 THR H A 22 HIS H 1.0 . 4.86 565 503 A 28 LEU H A 27 TRP HBx 1.0 . 3.51 566 504 A 14 LEU H A 14 LEU HDx% 1.0 . 4.00 567 505 A 14 LEU H A 14 LEU HDy% 1.0 . 4.00 568 506 A 14 LEU H A 14 LEU HBx 1.0 . 3.79 569 507 A 14 LEU H A 14 LEU HBy 1.0 . 3.79 570 508 A 15 GLU H A 14 LEU HDx% 1.0 . 4.40 571 509 A 13 THR HG2% A 15 GLU H 1.0 . 4.10 572 510 A 27 TRP H A 27 TRP HBy 1.0 . 3.87 573 511 A 56 GLY H A 27 TRP H 1.0 . 4.32 574 512 A 28 LEU H A 27 TRP H 1.0 . 4.75 575 513 A 55 ALA HA A 27 TRP H 1.0 . 4.62 576 514 A 55 ALA HB% A 27 TRP H 1.0 . 4.01 577 515 A 29 ILE H A 28 LEU H 1.0 . 4.57 578 516 A 11 TYR HBy A 11 TYR H 1.0 . 3.33 579 517 A 12 TYR H A 84 LEU HA 1.0 . 3.93 580 518 A 18 LYS H A 15 GLU H 1.0 . 5.08 581 519 A 17 ILE HA A 20 HIS H 1.0 . 4.12 582 520 A 58 ASP HA A 29 ILE H 1.0 . 3.59 583 521 A 30 LEU HA A 31 HIS H 1.0 . 3.47 584 522 A 83 GLU HA A 34 VAL H 1.0 . 3.81 585 523 A 39 LYS H A 41 LEU H 1.0 . 4.30 586 524 A 37 LEU H A 39 LYS H 1.0 . 5.14 587 525 A 85 HIS H A 88 ASP H 1.0 . 4.97 588 526 A 58 ASP H A 58 ASP HBx 1.0 . 3.79 589 527 A 58 ASP H A 58 ASP HBy 1.0 . 3.79 590 528 A 59 ALA H A 58 ASP HBx 1.0 . 4.23 591 529 A 59 ALA H A 58 ASP HBy 1.0 . 4.23 592 530 A 30 LEU HA A 60 THR H 1.0 . 4.23 593 531 A 58 ASP HA A 60 THR H 1.0 . 4.13 594 532 A 61 GLU H A 61 GLU HGy 1.0 . 3.76 595 533 A 61 GLU H A 61 GLU HGx 1.0 . 3.76 596 534 A 61 GLU H A 61 GLU HBx 1.0 . 2.79 597 535 A 62 ASN H A 61 GLU HGy 1.0 . 3.98 598 536 A 62 ASN H A 61 GLU HGx 1.0 . 3.98 599 537 A 61 GLU H A 63 PHE H 1.0 . 4.27 600 538 A 59 ALA HA A 61 GLU H 1.0 . 4.15 601 539 A 79 PHE H A 79 PHE HBx 1.0 . 3.34 602 539 A 79 PHE H A 79 PHE HBy 1.0 . 3.34 603 540 A 80 ILE H A 79 PHE HBx 1.0 . 4.09 604 540 A 79 PHE HBy A 80 ILE H 1.0 . 4.09 605 541 A 74 GLU H A 76 SER H 1.0 . 4.43 606 542 A 61 GLU HA A 65 ASP H 1.0 . 4.71 607 543 A 73 ARG HA A 76 SER H 1.0 . 4.14 608 544 A 73 ARG HA A 77 LYS H 1.0 . 5.49 609 545 A 74 GLU H A 71 ASP HA 1.0 . 3.96 610 546 A 73 ARG H A 73 ARG HDx 1.0 . 4.46 611 546 A 73 ARG HDy A 73 ARG H 1.0 . 4.46 612 547 A 73 ARG H A 73 ARG HBx 1.0 . 3.97 613 548 A 73 ARG H A 73 ARG HGx 1.0 . 4.15 614 548 A 73 ARG HGy A 73 ARG H 1.0 . 4.15 615 549 A 74 GLU H A 73 ARG HBx 1.0 . 4.24 616 550 A 74 GLU H A 73 ARG HBy 1.0 . 4.24 617 551 A 74 GLU H A 74 GLU HGy 1.0 . 3.32 618 552 A 74 GLU H A 74 GLU HGx 1.0 . 3.32 619 553 A 74 GLU H A 74 GLU HBy 1.0 . 3.18 620 554 A 74 GLU H A 73 ARG HDx 1.0 . 4.19 621 554 A 73 ARG HDy A 74 GLU H 1.0 . 4.19 622 555 A 73 ARG H A 72 ALA H 1.0 . 3.57 623 556 A 75 LEU HA A 77 LYS H 1.0 . 4.18 624 557 A 75 LEU HA A 78 THR H 1.0 . 4.15 625 558 A 77 LYS HA A 79 PHE H 1.0 . 4.12 626 559 A 81 ILE H A 80 ILE H 1.0 . 4.61 627 560 A 81 ILE H A 82 GLY HAy 1.0 . 4.64 628 561 A 10 LYS HA A 9 VAL H 1.0 . 4.76 629 562 A 26 THR HA A 22 HIS H 1.0 . 3.62 630 563 A 25 SER HA A 26 THR H 1.0 . 3.40 631 564 A 55 ALA HB% A 55 ALA H 1.0 . 2.49 632 565 A 18 LYS H A 20 HIS H 1.0 . 4.38 633 566 A 17 ILE H A 17 ILE HG1y 1.0 . 3.22 634 567 A 18 LYS H A 17 ILE HG1y 1.0 . 3.36 635 568 A 56 GLY H A 17 ILE HD1% 1.0 . 4.37 636 569 A 57 GLY H A 17 ILE HD1% 1.0 . 3.90 637 570 A 16 GLU H A 17 ILE HG1y 1.0 . 4.20 638 571 A 16 GLU HA A 19 LYS H 1.0 . 3.95 639 572 A 15 GLU H A 17 ILE HG1y 1.0 . 4.87 640 573 A 14 LEU H A 17 ILE HG1x 1.0 . 5.15 641 574 A 14 LEU H A 17 ILE HG1y 1.0 . 5.50 642 575 A 88 ASP H A 88 ASP HBx 1.0 . 4.06 643 576 A 14 LEU H A 88 ASP HBx 1.0 . 5.28 644 577 A 14 LEU H A 88 ASP HBy 1.0 . 5.28 645 578 A 16 GLU HBy A 13 THR H 1.0 . 3.69 646 579 A 16 GLU H A 15 GLU HGx 1.0 . 3.40 647 579 A 15 GLU HGy A 16 GLU H 1.0 . 3.40 648 580 A 16 GLU HBy A 16 GLU H 1.0 . 3.50 649 581 A 17 ILE HG2% A 13 THR H 1.0 . 4.87 650 582 A 85 HIS H A 84 LEU HA 1.0 . 3.42 651 583 A 13 THR HG2% A 16 GLU H 1.0 . 4.51 652 584 A 13 THR HG2% A 85 HIS H 1.0 . 4.96 653 585 A 34 VAL HGy% A 34 VAL H 1.0 . 3.46 654 586 A 12 TYR H A 83 GLU HBy 1.0 . 4.93 655 587 A 12 TYR H A 10 LYS HBx 1.0 . 5.50 656 587 A 10 LYS HBy A 12 TYR H 1.0 . 5.50 657 588 A 16 GLU H A 16 GLU HBx 1.0 . 3.11 658 589 A 11 TYR HA A 85 HIS H 1.0 . 5.50 659 590 A 11 TYR HBx A 11 TYR H 1.0 . 3.73 660 591 A 82 GLY HAy A 10 LYS H 1.0 . 3.17 661 592 A 83 GLU H A 9 VAL HGy% 1.0 . 3.80 662 593 A 62 ASN H A 65 ASP H 1.0 . 5.03 663 594 A 69 SER HA A 71 ASP H 1.0 . 4.45 664 595 A 75 LEU H A 72 ALA HA 1.0 . 4.11 665 596 A 85 HIS H A 85 HIS HBy 1.0 . 3.79 666 597 A 85 HIS H A 85 HIS HBx 1.0 . 3.80 667 598 A 88 ASP H A 88 ASP HBy 1.0 . 4.06 668 599 A 85 HIS H A 12 TYR H 1.0 . 4.68 669 600 A 88 ASP H A 85 HIS HBy 1.0 . 4.17 670 601 A 89 ARG H A 88 ASP HBx 1.0 . 4.51 671 602 A 85 HIS HBx A 89 ARG H 1.0 . 5.02 672 603 A 85 HIS HBx A 88 ASP H 1.0 . 4.02 673 604 A 40 PHE H A 40 PHE HBy 1.0 . 3.21 674 605 A 41 LEU H A 40 PHE HBy 1.0 . 4.08 675 606 A 40 PHE H A 40 PHE HBx 1.0 . 3.72 676 607 A 41 LEU H A 40 PHE HBx 1.0 . 4.36 677 608 A 41 LEU HG A 41 LEU H 1.0 . 2.80 678 609 A 41 LEU HBx A 41 LEU H 1.0 . 3.11 679 610 A 41 LEU HBy A 41 LEU H 1.0 . 3.61 680 611 A 41 LEU HDx% A 41 LEU H 1.0 . 3.77 681 612 A 41 LEU HDy% A 41 LEU H 1.0 . 3.41 682 613 A 42 GLU H A 42 GLU HGx 1.0 . 2.77 683 613 A 42 GLU H A 42 GLU HGy 1.0 . 2.77 684 614 A 42 GLU H A 41 LEU HBx 1.0 . 2.50 685 615 A 42 GLU HBx A 42 GLU H 1.0 . 2.80 686 616 A 42 GLU H A 41 LEU HBy 1.0 . 3.24 687 617 A 41 LEU HDx% A 42 GLU H 1.0 . 4.34 688 618 A 43 GLU H A 42 GLU HGx 1.0 . 3.29 689 618 A 43 GLU H A 42 GLU HGy 1.0 . 3.29 690 619 A 43 GLU H A 43 GLU HBy 1.0 . 3.52 691 620 A 43 GLU H A 43 GLU HBx 1.0 . 3.52 692 621 A 87 ASP H A 86 PRO HDy 1.0 . 4.38 693 622 A 87 ASP H A 86 PRO HDx 1.0 . 4.38 694 623 A 12 TYR H A 12 TYR HE% 1.0 . 5.41 695 624 A 14 LEU H A 13 THR HB 1.0 . 3.59 696 625 A 48 GLU HA A 51 LEU H 1.0 . 4.41 697 626 A 48 GLU HA A 52 ARG H 1.0 . 4.66 698 627 A 48 GLU H A 48 GLU HGx 1.0 . 3.36 699 627 A 48 GLU HGy A 48 GLU H 1.0 . 3.36 700 628 A 48 GLU HBx A 48 GLU H 1.0 . 3.76 701 629 A 48 GLU H A 49 GLU HBy 1.0 . 4.72 702 630 A 49 GLU H A 48 GLU HGx 1.0 . 3.66 703 630 A 48 GLU HGy A 49 GLU H 1.0 . 3.66 704 631 A 48 GLU HBx A 49 GLU H 1.0 . 3.90 705 632 A 49 GLU H A 49 GLU HBy 1.0 . 3.45 706 633 A 49 GLU H A 49 GLU HGx 1.0 . 4.09 707 633 A 49 GLU HGy A 49 GLU H 1.0 . 4.09 708 634 A 49 GLU H A 49 GLU HBx 1.0 . 3.45 709 635 A 26 THR HG2% A 26 THR H 1.0 . 3.96 710 636 A 26 THR HG2% A 27 TRP H 1.0 . 3.50 711 637 A 26 THR H A 26 THR HB 1.0 . 3.64 712 638 A 25 SER H A 22 HIS HBy 1.0 . 3.93 713 639 A 24 LYS H A 24 LYS HBy 1.0 . 3.90 714 640 A 24 LYS H A 24 LYS HBx 1.0 . 3.90 715 641 A 24 LYS H A 24 LYS HDx 1.0 . 4.01 716 641 A 24 LYS HDy A 24 LYS H 1.0 . 4.01 717 642 A 22 HIS H A 22 HIS HBy 1.0 . 3.81 718 643 A 22 HIS H A 22 HIS HBx 1.0 . 3.75 719 644 A 21 ASN H A 21 ASN HBx 1.0 . 3.35 720 645 A 21 ASN H A 20 HIS HBy 1.0 . 4.20 721 646 A 22 HIS H A 20 HIS HBy 1.0 . 5.24 722 647 A 21 ASN HBy A 22 HIS H 1.0 . 5.38 723 648 A 19 LYS HA A 20 HIS H 1.0 . 3.47 724 649 A 20 HIS H A 20 HIS HBy 1.0 . 3.79 725 650 A 20 HIS H A 20 HIS HBx 1.0 . 3.79 726 651 A 19 LYS H A 19 LYS HEx 1.0 . 4.73 727 651 A 19 LYS HEy A 19 LYS H 1.0 . 4.73 728 652 A 18 LYS H A 18 LYS HBx 1.0 . 3.91 729 652 A 18 LYS H A 18 LYS HBy 1.0 . 3.91 730 653 A 18 LYS H A 18 LYS HGx 1.0 . 2.95 731 653 A 18 LYS H A 18 LYS HGy 1.0 . 2.95 732 654 A 17 ILE HB A 17 ILE H 1.0 . 3.79 733 655 A 17 ILE HG2% A 17 ILE H 1.0 . 3.67 734 656 A 16 GLU H A 16 GLU HGx 1.0 . 4.06 735 656 A 16 GLU HGy A 16 GLU H 1.0 . 4.06 736 657 A 17 ILE H A 16 GLU HGx 1.0 . 4.56 737 657 A 16 GLU HGy A 17 ILE H 1.0 . 4.56 738 658 A 15 GLU H A 15 GLU HGx 1.0 . 3.38 739 658 A 15 GLU HGy A 15 GLU H 1.0 . 3.38 740 659 A 15 GLU H A 15 GLU HBx 1.0 . 2.69 741 659 A 15 GLU H A 15 GLU HBy 1.0 . 2.69 742 660 A 10 LYS H A 10 LYS HEx 1.0 . 5.50 743 660 A 10 LYS H A 10 LYS HEy 1.0 . 5.50 744 661 A 10 LYS HGy A 10 LYS H 1.0 . 4.19 745 662 A 28 LEU H A 28 LEU HDx% 1.0 . 4.71 746 663 A 28 LEU H A 28 LEU HDy% 1.0 . 4.71 747 664 A 29 ILE HB A 29 ILE H 1.0 . 3.44 748 665 A 29 ILE H A 29 ILE HG2% 1.0 . 4.49 749 666 A 29 ILE H A 29 ILE HG1x 1.0 . 4.96 750 667 A 29 ILE HA A 30 LEU H 1.0 . 3.21 751 668 A 30 LEU H A 30 LEU HDx% 1.0 . 5.33 752 669 A 60 THR HA A 31 HIS H 1.0 . 4.46 753 670 A 31 HIS H A 32 HIS H 1.0 . 4.09 754 671 A 35 TYR H A 35 TYR HBy 1.0 . 4.06 755 672 A 34 VAL HB A 34 VAL H 1.0 . 3.69 756 673 A 34 VAL HGx% A 34 VAL H 1.0 . 4.16 757 674 A 36 ASP HA A 37 LEU H 1.0 . 3.30 758 675 A 36 ASP HBx A 37 LEU H 1.0 . 4.58 759 676 A 37 LEU H A 35 TYR HBx 1.0 . 4.86 760 677 A 36 ASP HBy A 37 LEU H 1.0 . 5.35 761 678 A 38 THR H A 38 THR HB 1.0 . 3.63 762 679 A 38 THR HG2% A 38 THR H 1.0 . 3.55 763 680 A 36 ASP HA A 38 THR H 1.0 . 4.01 764 681 A 38 THR HB A 39 LYS H 1.0 . 4.01 765 682 A 39 LYS H A 39 LYS HBy 1.0 . 3.83 766 683 A 39 LYS H A 39 LYS HBx 1.0 . 3.83 767 684 A 39 LYS H A 39 LYS HGx 1.0 . 4.14 768 684 A 39 LYS HGy A 39 LYS H 1.0 . 4.14 769 685 A 39 LYS H A 39 LYS HDx 1.0 . 4.72 770 685 A 39 LYS HDy A 39 LYS H 1.0 . 4.72 771 686 A 50 VAL H A 50 VAL HB 1.0 . 3.68 772 687 A 50 VAL H A 50 VAL HGx% 1.0 . 3.93 773 688 A 62 ASN HBy A 61 GLU H 1.0 . 5.15 774 689 A 51 LEU H A 51 LEU HBx 1.0 . 3.86 775 689 A 51 LEU H A 51 LEU HBy 1.0 . 3.86 776 690 A 52 ARG H A 52 ARG HBx 1.0 . 3.15 777 690 A 52 ARG HBy A 52 ARG H 1.0 . 3.15 778 691 A 53 GLU HBx A 53 GLU H 1.0 . 2.66 779 692 A 53 GLU HBy A 53 GLU H 1.0 . 3.75 780 693 A 53 GLU HGx A 53 GLU H 1.0 . 3.67 781 694 A 53 GLU H A 53 GLU HGy 1.0 . 3.21 782 695 A 54 GLN H A 54 GLN HBx 1.0 . 3.81 783 696 A 54 GLN H A 54 GLN HBy 1.0 . 3.13 784 697 A 54 GLN HGy A 54 GLN H 1.0 . 2.82 785 698 A 53 GLU HBy A 54 GLN H 1.0 . 4.33 786 699 A 53 GLU HGx A 54 GLN H 1.0 . 3.85 787 700 A 54 GLN H A 53 GLU HGy 1.0 . 3.87 788 701 A 59 ALA HB% A 59 ALA H 1.0 . 3.30 789 702 A 60 THR HB A 60 THR H 1.0 . 3.55 790 703 A 59 ALA HB% A 60 THR H 1.0 . 3.86 791 704 A 60 THR HG2% A 60 THR H 1.0 . 3.77 792 705 A 62 ASN H A 62 ASN HBx 1.0 . 3.78 793 706 A 62 ASN H A 62 ASN HBy 1.0 . 2.94 794 707 A 63 PHE H A 63 PHE HBy 1.0 . 3.90 795 708 A 63 PHE H A 63 PHE HBx 1.0 . 3.90 796 709 A 65 ASP H A 63 PHE HA 1.0 . 4.42 797 710 A 64 GLU H A 64 GLU HGy 1.0 . 4.13 798 711 A 64 GLU H A 64 GLU HGx 1.0 . 4.13 799 712 A 64 GLU H A 64 GLU HBy 1.0 . 3.78 800 713 A 64 GLU H A 64 GLU HBx 1.0 . 3.78 801 714 A 65 ASP H A 64 GLU HBx 1.0 . 4.15 802 715 A 65 ASP H A 64 GLU HBy 1.0 . 4.15 803 716 A 61 GLU H A 60 THR HB 1.0 . 3.54 804 717 A 62 ASN H A 60 THR HB 1.0 . 4.80 805 718 A 62 ASN H A 59 ALA HB% 1.0 . 4.27 806 719 A 60 THR HG2% A 63 PHE H 1.0 . 4.83 807 720 A 64 GLU H A 60 THR HG2% 1.0 . 4.54 808 721 A 62 ASN HBx A 63 PHE H 1.0 . 3.93 809 722 A 62 ASN HBy A 63 PHE H 1.0 . 3.70 810 723 A 74 GLU H A 70 THR HG2% 1.0 . 4.29 811 724 A 75 LEU H A 75 LEU HBy 1.0 . 3.46 812 725 A 75 LEU H A 75 LEU HBx 1.0 . 3.46 813 726 A 76 SER H A 76 SER HBx 1.0 . 3.70 814 726 A 76 SER HBy A 76 SER H 1.0 . 3.70 815 727 A 76 SER H A 75 LEU HBy 1.0 . 4.11 816 728 A 77 LYS H A 77 LYS HBx 1.0 . 3.27 817 729 A 77 LYS H A 77 LYS HBy 1.0 . 2.72 818 730 A 77 LYS H A 76 SER HBx 1.0 . 3.97 819 730 A 76 SER HBy A 77 LYS H 1.0 . 3.97 820 731 A 76 SER HA A 77 LYS H 1.0 . 3.55 821 732 A 78 THR HB A 78 THR H 1.0 . 3.28 822 733 A 78 THR H A 77 LYS HBx 1.0 . 3.83 823 734 A 77 LYS HBy A 78 THR H 1.0 . 4.06 824 735 A 78 THR HG2% A 78 THR H 1.0 . 2.64 825 736 A 78 THR HG2% A 79 PHE H 1.0 . 3.45 826 737 A 80 ILE HB A 80 ILE H 1.0 . 2.83 827 738 A 80 ILE HG21 A 80 ILE H 1.0 . 3.20 828 739 A 80 ILE HG21 A 80 ILE H 1.0 . 3.23 829 740 A 80 ILE HG21 A 80 ILE H 1.0 . 3.90 830 741 A 80 ILE H A 80 ILE HG1x 1.0 . 4.07 831 741 A 80 ILE HG1y A 80 ILE H 1.0 . 4.07 832 742 A 81 ILE H A 81 ILE HG21 1.0 . 3.89 833 743 A 81 ILE H A 81 ILE HG21 1.0 . 3.81 834 744 A 81 ILE H A 81 ILE HG21 1.0 . 3.37 835 745 A 81 ILE H A 81 ILE HD1% 1.0 . 4.09 836 746 A 80 ILE HA A 81 ILE H 1.0 . 3.25 837 747 A 80 ILE HA A 82 GLY H 1.0 . 3.68 838 748 A 80 ILE HA A 79 PHE H 1.0 . 4.79 839 749 A 80 ILE HB A 82 GLY H 1.0 . 5.21 840 750 A 82 GLY H A 80 ILE HD1% 1.0 . 3.16 841 751 A 81 ILE HG21 A 82 GLY H 1.0 . 3.97 842 752 A 81 ILE HD1% A 82 GLY H 1.0 . 3.94 843 753 A 83 GLU H A 82 GLY HAx 1.0 . 3.21 844 754 A 83 GLU H A 83 GLU HBx 1.0 . 3.83 845 755 A 83 GLU H A 83 GLU HBy 1.0 . 3.74 846 756 A 83 GLU HBx A 84 LEU H 1.0 . 3.58 847 757 A 97 GLU H A 96 MET HBx 1.0 . 4.18 848 758 A 97 GLU H A 96 MET HBy 1.0 . 4.18 849 759 A 97 GLU H A 97 GLU HGx 1.0 . 4.51 850 759 A 97 GLU H A 97 GLU HGy 1.0 . 4.51 851 760 A 98 THR HG2% A 99 LEU H 1.0 . 3.72 852 761 A 35 TYR HA A 36 ASP H 1.0 . 3.07 853 762 A 27 TRP HA A 27 TRP HE1 1.0 . 4.61 854 763 A 27 TRP HE1 A 36 ASP HBy 1.0 . 3.59 855 764 A 27 TRP HE1 A 81 ILE HG21 1.0 . 4.89 856 765 A 27 TRP HE1 A 81 ILE HD1% 1.0 . 3.58 857 766 A 12 TYR HD% A 10 LYS H 1.0 . 4.67 858 767 A 16 GLU H A 19 LYS HEx 1.0 . 5.48 859 767 A 19 LYS HEy A 16 GLU H 1.0 . 5.48 860 768 A 20 HIS H A 19 LYS HBx 1.0 . 3.74 861 768 A 20 HIS H A 19 LYS HBy 1.0 . 3.74 862 769 A 20 HIS H A 19 LYS HGx 1.0 . 4.75 863 769 A 19 LYS HGy A 20 HIS H 1.0 . 4.75 864 770 A 18 LYS HA A 20 HIS H 1.0 . 3.78 865 771 A 38 THR HG2% A 24 LYS H 1.0 . 5.14 866 772 A 25 SER H A 24 LYS HDx 1.0 . 4.27 867 772 A 24 LYS HDy A 25 SER H 1.0 . 4.27 868 773 A 25 SER H A 24 LYS HBx 1.0 . 4.51 869 774 A 38 THR HG2% A 25 SER H 1.0 . 3.72 870 775 A 25 SER H A 24 LYS HBy 1.0 . 4.51 871 776 A 38 THR HG2% A 26 THR H 1.0 . 3.56 872 777 A 27 TRP H A 20 HIS HBy 1.0 . 4.60 873 778 A 21 ASN HBy A 27 TRP H 1.0 . 5.00 874 779 A 27 TRP H A 20 HIS HBx 1.0 . 4.60 875 780 A 26 THR HA A 27 TRP H 1.0 . 3.08 876 781 A 34 VAL HGx% A 28 LEU H 1.0 . 3.94 877 782 A 28 LEU H A 35 TYR HBy 1.0 . 4.15 878 783 A 36 ASP HA A 28 LEU H 1.0 . 4.26 879 784 A 59 ALA HB% A 29 ILE H 1.0 . 3.94 880 785 A 29 ILE H A 28 LEU HDx% 1.0 . 4.62 881 786 A 29 ILE H A 28 LEU HDy% 1.0 . 4.62 882 787 A 33 LYS HA A 34 VAL H 1.0 . 3.52 883 788 A 34 VAL H A 33 LYS HGx 1.0 . 3.87 884 788 A 33 LYS HGy A 34 VAL H 1.0 . 3.87 885 789 A 34 VAL H A 33 LYS HBx 1.0 . 4.44 886 789 A 34 VAL H A 33 LYS HBy 1.0 . 4.44 887 790 A 34 VAL H A 83 GLU HGx 1.0 . 4.79 888 790 A 83 GLU HGy A 34 VAL H 1.0 . 4.79 889 791 A 34 VAL H A 80 ILE HD1% 1.0 . 3.87 890 792 A 29 ILE HB A 59 ALA H 1.0 . 4.02 891 793 A 99 LEU H A 99 LEU HG 1.0 . 3.17 892 794 A 34 VAL HGx% A 35 TYR H 1.0 . 4.00 893 795 A 34 VAL HGy% A 35 TYR H 1.0 . 4.32 894 796 A 29 ILE HA A 35 TYR H 1.0 . 4.22 895 797 A 36 ASP HBx A 36 ASP H 1.0 . 3.54 896 798 A 35 TYR HBx A 36 ASP H 1.0 . 3.62 897 799 A 36 ASP HBy A 36 ASP H 1.0 . 4.13 898 800 A 79 PHE HA A 36 ASP H 1.0 . 3.89 899 801 A 80 ILE HA A 36 ASP H 1.0 . 4.02 900 802 A 81 ILE HG21 A 36 ASP H 1.0 . 3.85 901 803 A 81 ILE HD1% A 36 ASP H 1.0 . 4.98 902 804 A 38 THR HG2% A 39 LYS H 1.0 . 3.84 903 805 A 48 GLU HBy A 42 GLU H 1.0 . 4.06 904 806 A 42 GLU HA A 44 HIS H 1.0 . 4.24 905 807 A 44 HIS H A 43 GLU HBx 1.0 . 4.36 906 808 A 44 HIS H A 42 GLU HGx 1.0 . 5.14 907 808 A 44 HIS H A 42 GLU HGy 1.0 . 5.14 908 809 A 44 HIS H A 43 GLU HGx 1.0 . 5.46 909 809 A 43 GLU HGy A 44 HIS H 1.0 . 5.46 910 810 A 48 GLU HBx A 44 HIS H 1.0 . 5.50 911 811 A 49 GLU HA A 48 GLU H 1.0 . 4.65 912 812 A 50 VAL H A 49 GLU HBy 1.0 . 4.04 913 813 A 50 VAL H A 49 GLU HGx 1.0 . 4.24 914 813 A 49 GLU HGy A 50 VAL H 1.0 . 4.24 915 814 A 51 LEU H A 41 LEU HDy% 1.0 . 4.37 916 815 A 54 GLN HGy A 51 LEU H 1.0 . 5.05 917 816 A 49 GLU HA A 52 ARG H 1.0 . 3.60 918 817 A 52 ARG H A 52 ARG HGx 1.0 . 4.18 919 817 A 52 ARG HGy A 52 ARG H 1.0 . 4.18 920 818 A 52 ARG H A 53 GLU HGy 1.0 . 3.97 921 819 A 52 ARG H A 51 LEU HBx 1.0 . 3.49 922 819 A 51 LEU HBy A 52 ARG H 1.0 . 3.49 923 820 A 48 GLU HBy A 52 ARG H 1.0 . 5.19 924 821 A 52 ARG H A 48 GLU HGx 1.0 . 5.49 925 821 A 48 GLU HGy A 52 ARG H 1.0 . 5.49 926 822 A 49 GLU HA A 53 GLU H 1.0 . 3.91 927 823 A 53 GLU H A 52 ARG HBx 1.0 . 3.67 928 823 A 52 ARG HBy A 53 GLU H 1.0 . 3.67 929 824 A 53 GLU H A 52 ARG HGx 1.0 . 4.10 930 824 A 52 ARG HGy A 53 GLU H 1.0 . 4.10 931 825 A 54 GLN H A 51 LEU HA 1.0 . 4.17 932 826 A 55 ALA HB% A 54 GLN H 1.0 . 3.96 933 827 A 54 GLN H A 59 ALA HB% 1.0 . 4.94 934 828 A 54 GLN H A 28 LEU HDy% 1.0 . 4.90 935 829 A 54 GLN HGy A 55 ALA H 1.0 . 4.03 936 830 A 26 THR HG2% A 55 ALA H 1.0 . 4.00 937 831 A 54 GLN HBy A 55 ALA H 1.0 . 4.19 938 832 A 55 ALA H A 28 LEU HDy% 1.0 . 4.83 939 833 A 55 ALA H A 28 LEU HDx% 1.0 . 4.83 940 834 A 59 ALA HB% A 55 ALA H 1.0 . 5.50 941 835 A 28 LEU HA A 57 GLY H 1.0 . 3.55 942 836 A 58 ASP H A 29 ILE H 1.0 . 5.10 943 837 A 58 ASP H A 57 GLY HAx 1.0 . 3.10 944 838 A 64 GLU H A 61 GLU H 1.0 . 5.04 945 839 A 65 ASP H A 67 GLY H 1.0 . 4.38 946 840 A 70 THR H A 69 SER HBx 1.0 . 4.22 947 841 A 70 THR HA A 72 ALA H 1.0 . 4.20 948 842 A 69 SER HA A 72 ALA H 1.0 . 4.96 949 843 A 70 THR HA A 73 ARG H 1.0 . 3.91 950 844 A 74 GLU HBy A 75 LEU H 1.0 . 3.85 951 845 A 35 TYR HA A 80 ILE H 1.0 . 4.18 952 846 A 80 ILE H A 35 TYR HBx 1.0 . 4.79 953 847 A 81 ILE H A 80 ILE HG1x 1.0 . 4.72 954 847 A 80 ILE HG1y A 81 ILE H 1.0 . 4.72 955 848 A 82 GLY H A 81 ILE HB 1.0 . 4.55 956 849 A 34 VAL HB A 82 GLY H 1.0 . 3.97 957 850 A 34 VAL HGy% A 82 GLY H 1.0 . 4.02 958 851 A 84 LEU H A 89 ARG HGx 1.0 . 4.83 959 851 A 89 ARG HGy A 84 LEU H 1.0 . 4.83 960 852 A 89 ARG H A 89 ARG HBy 1.0 . 3.54 961 853 A 89 ARG H A 89 ARG HGx 1.0 . 3.71 962 853 A 89 ARG HGy A 89 ARG H 1.0 . 3.71 963 854 A 86 PRO HA A 89 ARG H 1.0 . 3.84 964 855 A 21 ASN HA A 27 TRP H 1.0 . 4.44 965 856 A 80 ILE HG21 A 79 PHE H 1.0 . 5.50 966 857 A 80 ILE HG21 A 79 PHE H 1.0 . 4.44 967 858 A 80 ILE HG21 A 79 PHE H 1.0 . 3.86 968 859 A 80 ILE HB A 79 PHE H 1.0 . 4.48 969 860 A 79 PHE H A 35 TYR HBx 1.0 . 5.12 970 861 A 79 PHE H A 77 LYS HBx 1.0 . 5.14 971 862 A 76 SER HA A 79 PHE H 1.0 . 4.25 972 863 A 49 GLU H A 47 GLY HAx 1.0 . 4.67 973 864 A 25 SER H A 23 SER HA 1.0 . 4.11 974 865 A 60 THR HG2% A 31 HIS H 1.0 . 3.64 975 866 A 31 HIS H A 30 LEU HBy 1.0 . 4.54 976 867 A 98 THR H A 97 GLU HGx 1.0 . 4.23 977 867 A 97 GLU HGy A 98 THR H 1.0 . 4.23 978 868 A 98 THR H A 97 GLU HBx 1.0 . 4.65 979 869 A 98 THR HG2% A 98 THR H 1.0 . 4.21 980 870 A 96 MET H A 96 MET HGx 1.0 . 4.15 981 870 A 96 MET H A 96 MET HGy 1.0 . 4.15 982 871 A 96 MET H A 95 PRO HDx 1.0 . 5.50 983 872 A 92 LEU H A 93 SER HBx 1.0 . 4.66 984 872 A 92 LEU H A 93 SER HBy 1.0 . 4.66 985 873 A 104 ASP H A 102 THR HG2% 1.0 . 4.34 986 874 A 104 ASP H A 103 VAL H 1.0 . 4.41 987 875 A 104 ASP H A 104 ASP HBy 1.0 . 3.88 988 876 A 104 ASP H A 104 ASP HBx 1.0 . 3.88 989 877 A 102 THR H A 101 THR HG2% 1.0 . 4.13 990 878 A 102 THR H A 102 THR HG2% 1.0 . 4.49 991 879 A 103 VAL H A 103 VAL HGx% 1.0 . 3.21 992 879 A 103 VAL HGy% A 103 VAL H 1.0 . 3.21 993 880 A 103 VAL H A 102 THR HG2% 1.0 . 3.83 994 881 A 93 SER H A 92 LEU HDx% 1.0 . 4.62 995 882 A 101 THR HG2% A 101 THR H 1.0 . 4.29 996 883 A 30 LEU H A 30 LEU HDy% 1.0 . 5.33 997 884 A 16 GLU H A 15 GLU HBx 1.0 . 3.81 998 884 A 16 GLU H A 15 GLU HBy 1.0 . 3.81 999 885 A 16 GLU H A 18 LYS HGx 1.0 . 3.94 1000 885 A 16 GLU H A 18 LYS HGy 1.0 . 3.94 1001 886 A 80 ILE H A 35 TYR HE% 1.0 . 4.23 1002 887 A 80 ILE H A 77 LYS HBx 1.0 . 5.50 1003 888 A 81 ILE HG21 A 80 ILE H 1.0 . 5.50 1004 889 A 16 GLU HBy A 17 ILE H 1.0 . 4.01 1005 890 A 17 ILE H A 16 GLU HBx 1.0 . 3.97 1006 891 A 34 VAL HGy% A 12 TYR H 1.0 . 4.20 1007 892 A 26 THR HG2% A 38 THR H 1.0 . 4.63 1008 893 A 38 THR H A 37 LEU HBx 1.0 . 4.78 1009 894 A 38 THR H A 37 LEU HBy 1.0 . 4.78 1010 895 A 38 THR H A 39 LYS HGx 1.0 . 5.34 1011 895 A 39 LYS HGy A 38 THR H 1.0 . 5.34 1012 896 A 27 TRP HA A 38 THR H 1.0 . 5.19 1013 897 A 38 THR H A 27 TRP HD1 1.0 . 4.56 1014 898 A 89 ARG H A 89 ARG HBx 1.0 . 3.54 1015 899 A 41 LEU HG A 39 LYS H 1.0 . 4.58 1016 900 A 28 LEU H A 27 TRP HD1 1.0 . 4.55 1017 901 A 99 LEU H A 100 ILE H 1.0 . 3.31 1018 902 A 102 THR H A 103 VAL HGx% 1.0 . 5.06 1019 902 A 103 VAL HGy% A 102 THR H 1.0 . 5.06 1020 903 A 83 GLU H A 11 TYR H 1.0 . 4.49 1021 904 A 10 LYS HA A 11 TYR H 1.0 . 2.70 1022 905 A 10 LYS HGx A 11 TYR H 1.0 . 3.67 1023 906 A 10 LYS HGy A 11 TYR H 1.0 . 4.47 1024 907 A 85 HIS HA A 12 TYR H 1.0 . 5.03 1025 908 A 10 LYS HA A 12 TYR H 1.0 . 5.50 1026 909 A 12 TYR H A 82 GLY HAy 1.0 . 5.50 1027 910 A 10 LYS HGy A 12 TYR H 1.0 . 4.82 1028 911 A 17 ILE H A 13 THR H 1.0 . 4.39 1029 912 A 13 THR H A 12 TYR HE% 1.0 . 5.50 1030 913 A 13 THR H A 13 THR HB 1.0 . 3.80 1031 914 A 16 GLU H A 13 THR HB 1.0 . 3.53 1032 915 A 12 TYR HD% A 17 ILE H 1.0 . 5.50 1033 916 A 17 ILE HG2% A 18 LYS H 1.0 . 4.56 1034 917 A 19 LYS H A 18 LYS HBx 1.0 . 4.03 1035 917 A 19 LYS H A 18 LYS HBy 1.0 . 4.03 1036 918 A 19 LYS H A 17 ILE HG1y 1.0 . 5.04 1037 919 A 19 LYS H A 17 ILE HD1% 1.0 . 5.39 1038 920 A 20 HIS H A 27 TRP H 1.0 . 5.27 1039 921 A 21 ASN HBx A 20 HIS H 1.0 . 4.80 1040 922 A 20 HIS H A 27 TRP HBy 1.0 . 5.24 1041 923 A 18 LYS HA A 21 ASN H 1.0 . 4.53 1042 924 A 26 THR HA A 21 ASN H 1.0 . 4.73 1043 925 A 21 ASN H A 20 HIS HBx 1.0 . 4.20 1044 926 A 21 ASN H A 27 TRP H 1.0 . 4.48 1045 927 A 21 ASN H A 56 GLY H 1.0 . 5.31 1046 928 A 22 HIS H A 20 HIS HBx 1.0 . 5.24 1047 929 A 24 LYS H A 22 HIS HBy 1.0 . 4.39 1048 930 A 22 HIS HA A 24 LYS H 1.0 . 5.47 1049 931 A 25 SER H A 22 HIS HBx 1.0 . 5.10 1050 932 A 26 THR H A 23 SER HA 1.0 . 4.21 1051 933 A 22 HIS H A 27 TRP H 1.0 . 4.82 1052 934 A 57 GLY H A 27 TRP H 1.0 . 5.50 1053 935 A 27 TRP H A 27 TRP HD1 1.0 . 4.56 1054 936 A 26 THR HB A 27 TRP H 1.0 . 4.44 1055 937 A 28 LEU HA A 29 ILE H 1.0 . 3.13 1056 938 A 29 ILE H A 60 THR H 1.0 . 5.50 1057 939 A 35 TYR H A 29 ILE H 1.0 . 5.26 1058 940 A 30 LEU H A 33 LYS HBx 1.0 . 3.90 1059 940 A 30 LEU H A 33 LYS HBy 1.0 . 3.90 1060 941 A 33 LYS H A 33 LYS HBx 1.0 . 4.01 1061 941 A 33 LYS H A 33 LYS HBy 1.0 . 4.01 1062 942 A 30 LEU H A 30 LEU HG 1.0 . 4.67 1063 943 A 30 LEU H A 30 LEU HBx 1.0 . 3.85 1064 944 A 35 TYR HD% A 30 LEU H 1.0 . 3.58 1065 945 A 33 LYS H A 32 HIS H 1.0 . 3.39 1066 946 A 30 LEU H A 31 HIS H 1.0 . 4.24 1067 947 A 35 TYR H A 81 ILE HG21 1.0 . 5.18 1068 948 A 35 TYR H A 80 ILE HA 1.0 . 4.76 1069 949 A 36 ASP H A 79 PHE HBx 1.0 . 4.14 1070 949 A 79 PHE HBy A 36 ASP H 1.0 . 4.14 1071 950 A 35 TYR HD% A 36 ASP H 1.0 . 4.34 1072 951 A 79 PHE H A 36 ASP H 1.0 . 5.18 1073 952 A 37 LEU H A 38 THR HB 1.0 . 4.66 1074 953 A 40 PHE H A 39 LYS HBy 1.0 . 4.42 1075 954 A 38 THR HG2% A 40 PHE H 1.0 . 4.16 1076 955 A 40 PHE H A 39 LYS HBx 1.0 . 4.42 1077 956 A 40 PHE H A 41 LEU HG 1.0 . 3.67 1078 957 A 40 PHE H A 41 LEU HBx 1.0 . 4.82 1079 958 A 39 LYS HA A 41 LEU H 1.0 . 4.17 1080 959 A 38 THR HA A 41 LEU H 1.0 . 4.33 1081 960 A 42 GLU H A 41 LEU HDy% 1.0 . 4.64 1082 961 A 48 GLU HA A 50 VAL H 1.0 . 4.75 1083 962 A 54 GLN H A 28 LEU HDx% 1.0 . 4.90 1084 963 A 55 ALA H A 51 LEU HA 1.0 . 5.18 1085 964 A 54 GLN HBx A 55 ALA H 1.0 . 4.63 1086 965 A 26 THR HG2% A 56 GLY H 1.0 . 4.02 1087 966 A 28 LEU HA A 56 GLY H 1.0 . 4.15 1088 967 A 21 ASN HA A 56 GLY H 1.0 . 4.40 1089 968 A 29 ILE H A 56 GLY H 1.0 . 5.50 1090 969 A 18 LYS HA A 57 GLY H 1.0 . 5.48 1091 970 A 58 ASP H A 59 ALA HB% 1.0 . 5.45 1092 971 A 59 ALA H A 31 HIS H 1.0 . 5.50 1093 972 A 59 ALA HB% A 63 PHE H 1.0 . 4.52 1094 973 A 63 PHE H A 30 LEU HDy% 1.0 . 5.23 1095 974 A 67 GLY H A 68 HIS H 1.0 . 4.34 1096 975 A 70 THR H A 69 SER HBy 1.0 . 4.22 1097 976 A 76 SER H A 75 LEU HBx 1.0 . 4.11 1098 977 A 76 SER H A 75 LEU HG 1.0 . 4.86 1099 978 A 78 THR HG2% A 76 SER H 1.0 . 4.91 1100 979 A 78 THR H A 77 LYS HGx 1.0 . 4.94 1101 979 A 77 LYS HGy A 78 THR H 1.0 . 4.94 1102 980 A 78 THR H A 79 PHE HBx 1.0 . 4.65 1103 980 A 79 PHE HBy A 78 THR H 1.0 . 4.65 1104 981 A 81 ILE H A 35 TYR HA 1.0 . 3.98 1105 982 A 82 GLY H A 80 ILE HG1x 1.0 . 4.55 1106 982 A 80 ILE HG1y A 82 GLY H 1.0 . 4.55 1107 983 A 82 GLY H A 80 ILE HD1% 1.0 . 5.25 1108 984 A 84 LEU H A 34 VAL H 1.0 . 4.35 1109 985 A 33 LYS HA A 84 LEU H 1.0 . 4.36 1110 986 A 84 LEU H A 83 GLU HGx 1.0 . 3.94 1111 986 A 83 GLU HGy A 84 LEU H 1.0 . 3.94 1112 987 A 34 VAL HGy% A 84 LEU H 1.0 . 4.09 1113 988 A 34 VAL HGx% A 84 LEU H 1.0 . 5.50 1114 989 A 14 LEU H A 85 HIS H 1.0 . 4.98 1115 990 A 85 HIS H A 89 ARG HGx 1.0 . 5.41 1116 990 A 85 HIS H A 89 ARG HGy 1.0 . 5.41 1117 991 A 88 ASP H A 14 LEU HDx% 1.0 . 4.52 1118 992 A 88 ASP H A 89 ARG HGx 1.0 . 4.73 1119 992 A 89 ARG HGy A 88 ASP H 1.0 . 4.73 1120 993 A 88 ASP H A 14 LEU HDy% 1.0 . 4.52 1121 994 A 88 ASP H A 86 PRO HDx 1.0 . 5.50 1122 995 A 89 ARG HA A 88 ASP H 1.0 . 4.82 1123 996 A 88 ASP H A 86 PRO HA 1.0 . 4.29 1124 997 A 21 ASN HA A 21 ASN HD2x 1.0 . 5.16 1125 998 A 21 ASN HA A 21 ASN HD2y 1.0 . 4.51 1126 999 A 21 ASN HBx A 21 ASN HD2y 1.0 . 3.55 1127 1000 A 21 ASN HBx A 21 ASN HD2x 1.0 . 3.88 1128 1001 A 55 ALA HB% A 21 ASN HD2y 1.0 . 4.90 1129 1002 A 46 GLY H A 45 PRO HBx 1.0 . 4.55 1130 1002 A 46 GLY H A 45 PRO HBy 1.0 . 4.55 1131 1003 A 46 GLY H A 45 PRO HGx 1.0 . 4.97 1132 1003 A 46 GLY H A 45 PRO HGy 1.0 . 4.97 1133 1004 A 62 ASN HBy A 62 ASN HD2y 1.0 . 3.66 1134 1005 A 62 ASN H A 62 ASN HD2y 1.0 . 3.95 1135 1006 A 62 ASN HD2y A 54 GLN HE2x 1.0 . 3.52 1136 1007 A 54 GLN HBx A 54 GLN HE2x 1.0 . 3.70 1137 1008 A 54 GLN HA A 54 GLN HE2x 1.0 . 4.05 1138 1009 A 54 GLN HGy A 54 GLN HE2x 1.0 . 3.72 1139 1010 A 59 ALA HA A 54 GLN HE2x 1.0 . 4.71 1140 1011 A 54 GLN HE2x A 53 GLU HGy 1.0 . 5.11 1141 1012 A 53 GLU HGx A 54 GLN HE2x 1.0 . 4.41 1142 1013 A 53 GLU HBy A 54 GLN HE2x 1.0 . 4.94 1143 1014 A 54 GLN HBy A 54 GLN HE2x 1.0 . 5.13 1144 1015 A 59 ALA HB% A 54 GLN HE2x 1.0 . 4.69 1145 1016 A 54 GLN HA A 54 GLN HE2y 1.0 . 3.90 1146 1017 A 53 GLU HGx A 54 GLN HE2y 1.0 . 4.03 1147 1018 A 54 GLN HGy A 54 GLN HE2y 1.0 . 3.08 1148 1019 A 53 GLU HBy A 54 GLN HE2y 1.0 . 4.23 1149 1020 A 54 GLN HBx A 54 GLN HE2y 1.0 . 3.42 1150 1021 A 59 ALA HB% A 54 GLN HE2y 1.0 . 4.42 1151 1022 A 54 GLN HBy A 54 GLN HE2y 1.0 . 4.42 1152 1023 A 62 ASN HA A 62 ASN HD2x 1.0 . 4.01 1153 1024 A 62 ASN HBx A 62 ASN HD2x 1.0 . 3.50 1154 1025 A 62 ASN HBy A 62 ASN HD2x 1.0 . 3.36 1155 1026 A 62 ASN H A 62 ASN HD2x 1.0 . 4.17 1156 1027 A 54 GLN H A 54 GLN HE2y 1.0 . 3.99 1157 1028 A 31 HIS H A 30 LEU HDy% 1.0 . 5.50 1158 1029 A 93 SER H A 92 LEU HBx 1.0 . 4.57 1159 1030 A 93 SER H A 92 LEU HA 1.0 . 3.29 1160 1031 A 93 SER H A 92 LEU HDy% 1.0 . 4.62 1161 1032 A 93 SER H A 92 LEU HBy 1.0 . 4.36 1162 1033 A 92 LEU H A 93 SER H 1.0 . 4.03 1163 1034 A 92 LEU H A 92 LEU HDy% 1.0 . 3.92 1164 1035 A 92 LEU H A 92 LEU HDx% 1.0 . 3.92 1165 1036 A 92 LEU H A 92 LEU HBx 1.0 . 3.44 1166 1037 A 93 SER H A 93 SER HBx 1.0 . 3.33 1167 1037 A 93 SER HBy A 93 SER H 1.0 . 3.33 1168 1038 A 60 THR H A 31 HIS H 1.0 . 4.76 1169 1039 A 96 MET H A 95 PRO HGx 1.0 . 3.98 1170 1039 A 96 MET H A 95 PRO HGy 1.0 . 3.98 1171 1040 A 97 GLU H A 98 THR H 1.0 . 4.36 1172 1041 A 98 THR H A 97 GLU HBy 1.0 . 4.65 1173 1042 A 103 VAL H A 104 ASP HA 1.0 . 4.95 1174 1043 A 31 HIS H A 30 LEU HBx 1.0 . 4.70 1175 1044 A 81 ILE HG21 A 36 ASP H 1.0 . 3.60 1176 1045 A 41 LEU HDy% A 52 ARG H 1.0 . 3.83 1177 1046 A 15 GLU H A 14 LEU HDy% 1.0 . 4.40 1178 1047 A 22 HIS H A 23 SER H 1.0 . 4.17 1179 1048 A 33 LYS H A 83 GLU HA 1.0 . 5.01 1180 1049 A 77 LYS H A 35 TYR HE% 1.0 . 4.89 1181 1050 A 83 GLU H A 34 VAL HB 1.0 . 4.65 1182 1051 A 97 GLU H A 96 MET HGx 1.0 . 4.36 1183 1051 A 97 GLU H A 96 MET HGy 1.0 . 4.36 1184 1052 A 104 ASP H A 102 THR HA 1.0 . 4.67 1185 1053 A 61 GLU HBy A 62 ASN HD2y 1.0 . 5.50 1186 1054 A 61 GLU HBx A 62 ASN HD2y 1.0 . 5.50 1187 1055 A 4 GLN HE2y A 4 GLN HBx 1.0 . 4.12 1188 1055 A 4 GLN HBy A 4 GLN HE2y 1.0 . 4.12 1189 1056 A 78 THR HG2% A 77 LYS H 1.0 . 4.35 1190 1057 A 31 HIS H A 30 LEU HG 1.0 . 5.50 1191 1058 A 50 VAL H A 50 VAL HGy% 1.0 . 3.93 1192 1059 A 75 LEU H A 75 LEU HG 1.0 . 4.68 1193 1060 A 98 THR H A 98 THR HB 1.0 . 3.75 1194 1061 A 7 LYS H A 6 ASP HA 1.0 . 2.81 1195 1062 A 7 LYS H A 6 ASP H 1.0 . 4.28 1196 1063 A 11 TYR H A 85 HIS HD2 1.0 . 5.50 1197 1064 A 9 VAL HGy% A 11 TYR H 1.0 . 4.30 1198 1065 A 11 TYR HE% A 11 TYR H 1.0 . 4.80 1199 1066 A 13 THR H A 16 GLU HGx 1.0 . 4.55 1200 1066 A 16 GLU HGy A 13 THR H 1.0 . 4.55 1201 1067 A 16 GLU HA A 15 GLU H 1.0 . 5.30 1202 1068 A 21 ASN H A 19 LYS HBx 1.0 . 5.00 1203 1068 A 21 ASN H A 19 LYS HBy 1.0 . 5.00 1204 1069 A 55 ALA HB% A 52 ARG H 1.0 . 4.80 1205 1070 A 60 THR HB A 59 ALA H 1.0 . 5.22 1206 1071 A 59 ALA H A 28 LEU HDx% 1.0 . 5.07 1207 1072 A 63 PHE H A 30 LEU HDx% 1.0 . 5.23 1208 1073 A 62 ASN H A 60 THR HG2% 1.0 . 4.86 1209 1074 A 62 ASN H A 63 PHE HA 1.0 . 5.50 1210 1075 A 63 PHE H A 62 ASN HD2y 1.0 . 5.50 1211 1076 A 66 VAL HA A 65 ASP H 1.0 . 5.41 1212 1077 A 70 THR H A 72 ALA HB% 1.0 . 5.46 1213 1078 A 73 ARG H A 75 LEU H 1.0 . 4.62 1214 1079 A 37 LEU H A 27 TRP HD1 1.0 . 4.18 1215 1080 A 76 SER H A 77 LYS HBy 1.0 . 4.51 1216 1081 A 76 SER H A 72 ALA HA 1.0 . 4.60 1217 1082 A 77 LYS H A 74 GLU HBx 1.0 . 5.50 1218 1083 A 35 TYR HA A 79 PHE H 1.0 . 5.28 1219 1084 A 79 PHE H A 35 TYR HE% 1.0 . 4.60 1220 1085 A 79 PHE HD% A 79 PHE H 1.0 . 4.50 1221 1086 A 78 THR HG2% A 80 ILE H 1.0 . 4.77 1222 1087 A 80 ILE HG21 A 81 ILE H 1.0 . 4.84 1223 1088 A 81 ILE H A 80 ILE HB 1.0 . 4.57 1224 1089 A 82 GLY H A 33 LYS HGx 1.0 . 5.50 1225 1089 A 82 GLY H A 33 LYS HGy 1.0 . 5.50 1226 1090 A 80 ILE HG21 A 82 GLY H 1.0 . 5.50 1227 1091 A 9 VAL HGx% A 83 GLU H 1.0 . 5.37 1228 1092 A 85 HIS H A 34 VAL HGy% 1.0 . 5.22 1229 1093 A 87 ASP H A 85 HIS HBy 1.0 . 4.61 1230 1094 A 93 SER H A 94 LYS H 1.0 . 4.46 1231 1095 A 17 ILE H A 18 LYS HGx 1.0 . 4.20 1232 1095 A 17 ILE H A 18 LYS HGy 1.0 . 4.20 1233 1096 A 19 LYS H A 19 LYS HDx 1.0 . 3.88 1234 1096 A 19 LYS HDy A 19 LYS H 1.0 . 3.88 1235 1097 A 19 LYS H A 19 LYS HGx 1.0 . 3.96 1236 1097 A 19 LYS HGy A 19 LYS H 1.0 . 3.96 1237 1098 A 19 LYS H A 19 LYS HBx 1.0 . 2.61 1238 1098 A 19 LYS H A 19 LYS HBy 1.0 . 2.61 1239 1099 A 19 LYS H A 16 GLU HBx 1.0 . 5.50 1240 1100 A 19 LYS H A 18 LYS HDx 1.0 . 3.92 1241 1100 A 18 LYS HDy A 19 LYS H 1.0 . 3.92 1242 1101 A 19 LYS H A 16 GLU HGx 1.0 . 4.66 1243 1101 A 16 GLU HGy A 19 LYS H 1.0 . 4.66 1244 1102 A 26 THR H A 25 SER HBy 1.0 . 5.30 1245 1103 A 34 VAL HA A 28 LEU H 1.0 . 4.35 1246 1104 A 28 LEU H A 27 TRP HBy 1.0 . 4.04 1247 1105 A 32 HIS H A 31 HIS HBx 1.0 . 4.49 1248 1105 A 31 HIS HBy A 32 HIS H 1.0 . 4.49 1249 1106 A 7 LYS H A 7 LYS HEx 1.0 . 4.91 1250 1106 A 7 LYS HEy A 7 LYS H 1.0 . 4.91 1251 1107 A 53 GLU H A 51 LEU HA 1.0 . 4.77 1252 1108 A 41 LEU HDy% A 53 GLU H 1.0 . 5.50 1253 1109 A 54 GLN H A 51 LEU HBx 1.0 . 5.21 1254 1109 A 54 GLN H A 51 LEU HBy 1.0 . 5.21 1255 1110 A 54 GLN H A 52 ARG HBx 1.0 . 5.01 1256 1110 A 52 ARG HBy A 54 GLN H 1.0 . 5.01 1257 1111 A 56 GLY H A 28 LEU H 1.0 . 4.91 1258 1112 A 56 GLY H A 28 LEU HDx% 1.0 . 5.50 1259 1113 A 56 GLY H A 28 LEU HDy% 1.0 . 5.50 1260 1114 A 57 GLY H A 28 LEU H 1.0 . 5.50 1261 1115 A 61 GLU HA A 60 THR H 1.0 . 5.47 1262 1116 A 60 THR HG2% A 61 GLU H 1.0 . 3.74 1263 1117 A 59 ALA HB% A 61 GLU H 1.0 . 5.02 1264 1118 A 71 ASP H A 69 SER HBx 1.0 . 4.32 1265 1119 A 72 ALA H A 72 ALA HB% 1.0 . 3.66 1266 1120 A 73 ARG H A 73 ARG HBy 1.0 . 3.97 1267 1121 A 74 GLU H A 75 LEU HBx 1.0 . 5.30 1268 1122 A 74 GLU H A 77 LYS HBy 1.0 . 5.50 1269 1123 A 89 ARG H A 88 ASP HBy 1.0 . 4.51 1270 1124 A 15 GLU H A 17 ILE H 1.0 . 4.33 1271 1125 A 15 GLU H A 16 GLU HBx 1.0 . 5.06 1272 1126 A 9 VAL HGx% A 11 TYR H 1.0 . 4.75 1273 1127 A 20 HIS H A 17 ILE HD1% 1.0 . 5.22 1274 1128 A 20 HIS H A 21 ASN HD2y 1.0 . 4.65 1275 1129 A 62 ASN HBy A 54 GLN HE2x 1.0 . 4.83 1276 1130 A 54 GLN HE2y A 53 GLU HGy 1.0 . 4.53 1277 1131 A 63 PHE H A 62 ASN HD2x 1.0 . 4.44 1278 1132 A 59 ALA HA A 62 ASN HD2y 1.0 . 4.35 1279 1133 A 59 ALA HA A 62 ASN HD2x 1.0 . 4.28 1280 1134 A 53 GLU HBx A 50 VAL H 1.0 . 5.50 1281 1135 A 21 ASN HBy A 56 GLY H 1.0 . 4.65 1282 1136 A 51 LEU H A 52 ARG HGx 1.0 . 5.50 1283 1136 A 52 ARG HGy A 51 LEU H 1.0 . 5.50 1284 1137 A 54 GLN HGx A 51 LEU H 1.0 . 5.50 1285 1138 A 51 LEU H A 52 ARG HBx 1.0 . 4.68 1286 1138 A 52 ARG HBy A 51 LEU H 1.0 . 4.68 1287 1139 A 51 LEU H A 50 VAL HB 1.0 . 4.56 1288 1140 A 99 LEU H A 98 THR HB 1.0 . 3.86 1289 1141 A 18 LYS HA A 56 GLY H 1.0 . 5.02 1290 1142 A 59 ALA HB% A 57 GLY H 1.0 . 5.33 1291 1143 A 26 THR HG2% A 57 GLY H 1.0 . 5.50 1292 1144 A 54 GLN HBy A 57 GLY H 1.0 . 5.50 1293 1145 A 29 ILE HB A 57 GLY H 1.0 . 4.94 1294 1146 A 58 ASP HA A 57 GLY H 1.0 . 4.81 1295 1147 A 59 ALA H A 28 LEU HDy% 1.0 . 5.07 1296 1148 A 60 THR HG2% A 59 ALA H 1.0 . 5.50 1297 1149 A 60 THR HA A 59 ALA H 1.0 . 4.72 1298 1150 A 61 GLU HA A 63 PHE H 1.0 . 4.77 1299 1151 A 60 THR HB A 63 PHE H 1.0 . 5.50 1300 1152 A 64 GLU H A 65 ASP HA 1.0 . 5.19 1301 1153 A 74 GLU HBx A 75 LEU H 1.0 . 4.11 1302 1154 A 80 ILE HG21 A 78 THR H 1.0 . 5.26 1303 1155 A 34 VAL HGx% A 81 ILE H 1.0 . 4.53 1304 1156 A 35 TYR H A 82 GLY H 1.0 . 5.50 1305 1157 A 82 GLY H A 33 LYS HA 1.0 . 5.50 1306 1158 A 9 VAL HB A 82 GLY H 1.0 . 5.46 1307 1159 A 9 VAL HGy% A 82 GLY H 1.0 . 4.85 1308 1160 A 84 LEU H A 32 HIS HA 1.0 . 4.95 1309 1161 A 87 ASP H A 88 ASP HA 1.0 . 5.30 1310 1162 A 10 LYS HGx A 12 TYR H 1.0 . 5.33 1311 1163 A 82 GLY HAy A 9 VAL H 1.0 . 5.50 1312 1164 A 82 GLY H A 10 LYS H 1.0 . 4.80 1313 1165 A 17 ILE HG2% A 13 THR H 1.0 . 4.79 1314 1166 A 15 GLU H A 13 THR H 1.0 . 5.50 1315 1167 A 14 LEU H A 15 GLU HBx 1.0 . 5.02 1316 1167 A 14 LEU H A 15 GLU HBy 1.0 . 5.02 1317 1168 A 14 LEU HA A 16 GLU H 1.0 . 4.56 1318 1169 A 18 LYS H A 16 GLU HBx 1.0 . 4.88 1319 1170 A 18 LYS H A 15 GLU HBx 1.0 . 5.30 1320 1170 A 18 LYS H A 15 GLU HBy 1.0 . 5.30 1321 1171 A 18 LYS H A 19 LYS HDx 1.0 . 5.01 1322 1171 A 19 LYS HDy A 18 LYS H 1.0 . 5.01 1323 1172 A 18 LYS H A 19 LYS HGx 1.0 . 5.50 1324 1172 A 19 LYS HGy A 18 LYS H 1.0 . 5.50 1325 1173 A 25 SER HA A 24 LYS H 1.0 . 5.11 1326 1174 A 26 THR HB A 25 SER H 1.0 . 4.71 1327 1175 A 38 THR HA A 25 SER H 1.0 . 5.50 1328 1176 A 55 ALA HA A 28 LEU H 1.0 . 5.50 1329 1177 A 31 HIS H A 30 LEU HDx% 1.0 . 5.50 1330 1178 A 81 ILE H A 34 VAL H 1.0 . 4.80 1331 1179 A 83 GLU HBx A 34 VAL H 1.0 . 5.35 1332 1180 A 39 LYS HA A 38 THR H 1.0 . 5.45 1333 1181 A 40 PHE H A 41 LEU HA 1.0 . 4.54 1334 1182 A 40 PHE H A 38 THR HB 1.0 . 5.48 1335 1183 A 37 LEU HA A 41 LEU H 1.0 . 5.28 1336 1184 A 42 GLU H A 48 GLU HBx 1.0 . 4.34 1337 1185 A 48 GLU H A 49 GLU HBx 1.0 . 4.72 1338 1186 A 61 GLU HBx A 60 THR H 1.0 . 5.50 1339 1187 A 67 GLY H A 66 VAL HB 1.0 . 4.83 1340 1188 A 74 GLU H A 75 LEU HBy 1.0 . 5.30 1341 1189 A 75 LEU H A 72 ALA HB% 1.0 . 5.43 1342 1190 A 81 ILE H A 36 ASP H 1.0 . 4.26 1343 1191 A 34 VAL HGx% A 82 GLY H 1.0 . 4.40 1344 1192 A 83 GLU H A 33 LYS HA 1.0 . 5.50 1345 1193 A 83 GLU H A 84 LEU HA 1.0 . 5.37 1346 1194 A 59 ALA HA A 54 GLN HE2y 1.0 . 5.50 1347 1195 A 48 GLU HBy A 48 GLU HA 1.0 . 3.00 1348 1196 A 9 VAL HA A 9 VAL HGy% 1.0 . 2.84 1349 1197 A 80 ILE HG21 A 35 TYR HE% 1.0 . 5.50 1350 1198 A 35 TYR HE% A 80 ILE HD1% 1.0 . 5.50 1351 1199 A 17 ILE HG2% A 12 TYR HD% 1.0 . 4.04 1352 1200 A 17 ILE HG2% A 27 TRP HE3 1.0 . 4.22 1353 1201 A 9 VAL HGx% A 11 TYR HD% 1.0 . 4.45 1354 1202 A 9 VAL HGx% A 11 TYR HE% 1.0 . 3.77 1355 1203 A 34 VAL HGy% A 12 TYR HD% 1.0 . 3.51 1356 1204 A 34 VAL HGy% A 12 TYR HE% 1.0 . 4.84 1357 1205 A 60 THR HG2% A 31 HIS HD2 1.0 . 3.40 1358 1206 A 11 TYR HD% A 9 VAL HGy% 1.0 . 3.52 1359 1207 A 9 VAL HGy% A 11 TYR HE% 1.0 . 2.99 1360 1208 A 30 LEU HBy A 31 HIS HD2 1.0 . 3.45 1361 1209 A 35 TYR HE% A 30 LEU HBy 1.0 . 3.55 1362 1210 A 34 VAL HGx% A 12 TYR HD% 1.0 . 3.80 1363 1211 A 34 VAL HGx% A 27 TRP HZ2 1.0 . 4.55 1364 1212 A 34 VAL HGx% A 12 TYR HE% 1.0 . 4.46 1365 1213 A 35 TYR HD% A 30 LEU HG 1.0 . 4.53 1366 1214 A 35 TYR HE% A 30 LEU HG 1.0 . 4.58 1367 1215 A 35 TYR HE% A 80 ILE HG1x 1.0 . 4.54 1368 1215 A 80 ILE HG1y A 35 TYR HE% 1.0 . 4.54 1369 1216 A 31 HIS HD2 A 30 LEU HDy% 1.0 . 4.55 1370 1217 A 35 TYR HE% A 30 LEU HDy% 1.0 . 4.90 1371 1218 A 81 ILE HD1% A 12 TYR HD% 1.0 . 4.65 1372 1219 A 81 ILE HD1% A 27 TRP HD1 1.0 . 4.70 1373 1220 A 81 ILE HD1% A 12 TYR HE% 1.0 . 4.26 1374 1221 A 81 ILE HD1% A 27 TRP HH2 1.0 . 4.58 1375 1222 A 31 HIS HD2 A 31 HIS HBx 1.0 . 3.25 1376 1222 A 31 HIS HBy A 31 HIS HD2 1.0 . 3.25 1377 1223 A 79 PHE HE% A 40 PHE HBy 1.0 . 3.68 1378 1224 A 79 PHE HD% A 40 PHE HBy 1.0 . 4.16 1379 1225 A 12 TYR HE% A 10 LYS HEx 1.0 . 4.57 1380 1225 A 12 TYR HE% A 10 LYS HEy 1.0 . 4.57 1381 1226 A 60 THR HA A 31 HIS HD2 1.0 . 4.45 1382 1227 A 85 HIS HBy A 85 HIS HD2 1.0 . 3.44 1383 1228 A 79 PHE HE% A 40 PHE HBx 1.0 . 4.06 1384 1229 A 79 PHE HD% A 40 PHE HBx 1.0 . 5.24 1385 1230 A 11 TYR HBx A 85 HIS HD2 1.0 . 3.43 1386 1231 A 35 TYR HD% A 79 PHE HBx 1.0 . 3.60 1387 1231 A 35 TYR HD% A 79 PHE HBy 1.0 . 3.60 1388 1232 A 85 HIS HD2 A 86 PRO HDy 1.0 . 4.49 1389 1233 A 11 TYR HD% A 86 PRO HDy 1.0 . 3.58 1390 1234 A 11 TYR HD% A 83 GLU HBy 1.0 . 3.42 1391 1235 A 83 GLU HBy A 11 TYR HE% 1.0 . 3.23 1392 1236 A 35 TYR HE% A 33 LYS HBx 1.0 . 3.66 1393 1236 A 35 TYR HE% A 33 LYS HBy 1.0 . 3.66 1394 1237 A 36 ASP HBy A 27 TRP HD1 1.0 . 3.59 1395 1238 A 12 TYR HE% A 81 ILE HB 1.0 . 4.34 1396 1239 A 11 TYR HD% A 83 GLU HBx 1.0 . 4.37 1397 1240 A 54 GLN HGx A 54 GLN H 1.0 . 3.49 1398 1241 A 12 TYR HE% A 10 LYS HBx 1.0 . 3.40 1399 1241 A 10 LYS HBy A 12 TYR HE% 1.0 . 3.40 1400 1242 A 11 TYR HD% A 86 PRO HDx 1.0 . 3.58 1401 1243 A 85 HIS HD2 A 86 PRO HDx 1.0 . 4.49 1402 1244 A 75 LEU HG A 79 PHE HE% 1.0 . 4.90 1403 1245 A 35 TYR HD% A 30 LEU HBx 1.0 . 4.21 1404 1246 A 35 TYR HE% A 30 LEU HBx 1.0 . 3.40 1405 1247 A 30 LEU HBx A 31 HIS HD2 1.0 . 3.84 1406 1248 A 13 THR HG2% A 85 HIS HD2 1.0 . 3.85 1407 1249 A 10 LYS HGx A 12 TYR HE% 1.0 . 4.50 1408 1250 A 10 LYS HGy A 12 TYR HD% 1.0 . 4.02 1409 1251 A 34 VAL HB A 12 TYR HD% 1.0 . 4.33 1410 1252 A 79 PHE HD% A 78 THR HG2% 1.0 . 3.51 1411 1253 A 60 THR HG2% A 31 HIS HE1 1.0 . 3.64 1412 1254 A 12 TYR HA A 12 TYR HD% 1.0 . 3.35 1413 1255 A 12 TYR HA A 12 TYR HE% 1.0 . 4.51 1414 1256 A 36 ASP HA A 27 TRP HD1 1.0 . 3.26 1415 1257 A 81 ILE HA A 12 TYR HE% 1.0 . 5.33 1416 1258 A 35 TYR HA A 35 TYR HD% 1.0 . 3.69 1417 1259 A 82 GLY HAx A 12 TYR HD% 1.0 . 4.01 1418 1260 A 82 GLY HAx A 12 TYR HE% 1.0 . 3.45 1419 1261 A 30 LEU HA A 31 HIS HD2 1.0 . 3.94 1420 1262 A 62 ASN HA A 62 ASN HD2y 1.0 . 4.52 1421 1263 A 37 LEU HA A 79 PHE HE% 1.0 . 3.71 1422 1264 A 26 THR HA A 25 SER H 1.0 . 4.07 1423 1265 A 77 LYS HA A 35 TYR HD% 1.0 . 4.91 1424 1266 A 82 GLY HAy A 12 TYR HE% 1.0 . 4.29 1425 1267 A 85 HIS HA A 85 HIS HD2 1.0 . 3.69 1426 1268 A 31 HIS HA A 31 HIS HD2 1.0 . 4.22 1427 1269 A 11 TYR HD% A 85 HIS HA 1.0 . 3.57 1428 1270 A 79 PHE HA A 35 TYR HD% 1.0 . 4.33 1429 1271 A 80 ILE HA A 35 TYR HD% 1.0 . 4.17 1430 1272 A 40 PHE HDx A 79 PHE HD% 1.0 . 4.48 1431 1273 A 40 PHE HDx A 79 PHE HE% 1.0 . 3.89 1432 1274 A 12 TYR HD% A 27 TRP HH2 1.0 . 4.18 1433 1275 A 35 TYR HD% A 80 ILE H 1.0 . 2.90 1434 1276 A 35 TYR HE% A 31 HIS HD2 1.0 . 4.79 1435 1277 A 12 TYR HE% A 27 TRP HH2 1.0 . 3.89 1436 1278 A 27 TRP HA A 27 TRP HD1 1.0 . 3.20 1437 1279 A 12 TYR HE% A 27 TRP HZ3 1.0 . 4.30 1438 1280 A 11 TYR HA A 85 HIS HD2 1.0 . 4.01 1439 1281 A 11 TYR HA A 11 TYR HD% 1.0 . 3.02 1440 1282 A 12 TYR HD% A 27 TRP HZ3 1.0 . 4.27 1441 1283 A 17 ILE HG2% A 27 TRP HZ3 1.0 . 4.06 1442 1284 A 12 TYR HE% A 16 GLU HGx 1.0 . 4.60 1443 1284 A 16 GLU HGy A 12 TYR HE% 1.0 . 4.60 1444 1285 A 10 LYS HGy A 12 TYR HE% 1.0 . 3.77 1445 1286 A 37 LEU HA A 40 PHE HDx 1.0 . 4.43 1446 1287 A 40 PHE HDx A 39 LYS HGx 1.0 . 5.50 1447 1287 A 39 LYS HGy A 40 PHE HDx 1.0 . 5.50 1448 1288 A 78 THR HG2% A 79 PHE HE% 1.0 . 3.63 1449 1289 A 79 PHE HD% A 79 PHE HA 1.0 . 4.37 1450 1290 A 79 PHE HD% A 76 SER HBx 1.0 . 4.51 1451 1290 A 76 SER HBy A 79 PHE HD% 1.0 . 4.51 1452 1291 A 79 PHE HD% A 35 TYR HBy 1.0 . 5.49 1453 1292 A 34 VAL HGx% A 27 TRP HD1 1.0 . 4.82 1454 1293 A 59 ALA HB% A 62 ASN HD2y 1.0 . 5.27 1455 1294 A 81 ILE HG21 A 27 TRP HD1 1.0 . 5.19 1456 1295 A 36 ASP HBx A 27 TRP HD1 1.0 . 4.42 1457 1296 A 27 TRP HA A 34 VAL HGx% 1.0 . 4.86 1458 1297 A 63 PHE H A 64 GLU HA 1.0 . 5.20 1459 1298 A 12 TYR HA A 85 HIS HD2 1.0 . 4.91 1460 1299 A 13 THR HA A 85 HIS HD2 1.0 . 4.38 1461 1300 A 35 TYR HD% A 28 LEU H 1.0 . 4.87 1462 1301 A 27 TRP HH2 A 16 GLU HGx 1.0 . 5.30 1463 1301 A 16 GLU HGy A 27 TRP HH2 1.0 . 5.30 1464 1302 A 17 ILE HG2% A 27 TRP HH2 1.0 . 5.49 1465 1303 A 34 VAL HGx% A 27 TRP HH2 1.0 . 4.85 1466 1304 A 17 ILE HA A 27 TRP HH2 1.0 . 5.41 1467 1305 A 27 TRP HH2 A 12 TYR HBy 1.0 . 5.25 1468 1306 A 35 TYR HD% A 30 LEU HBy 1.0 . 4.47 1469 1307 A 80 ILE HG21 A 35 TYR HE% 1.0 . 3.75 1470 1308 A 35 TYR HE% A 79 PHE HBx 1.0 . 4.42 1471 1308 A 79 PHE HBy A 35 TYR HE% 1.0 . 4.42 1472 1309 A 78 THR HG2% A 79 PHE HZ 1.0 . 3.83 1473 1310 A 30 LEU HG A 31 HIS HD2 1.0 . 4.96 1474 1311 A 31 HIS HA A 31 HIS HE1 1.0 . 5.50 1475 1312 A 60 THR HA A 63 PHE H 1.0 . 4.47 1476 1313 A 9 VAL HGy% A 12 TYR HE% 1.0 . 5.50 1477 1314 A 17 ILE HG2% A 12 TYR HE% 1.0 . 5.50 1478 1315 A 27 TRP HH2 A 12 TYR HBx 1.0 . 5.25 1479 1316 A 17 ILE HB A 27 TRP HE3 1.0 . 4.54 1480 1317 A 34 VAL HGx% A 27 TRP HE3 1.0 . 4.72 1481 1318 A 17 ILE HG2% A 12 TYR HD% 1.0 . 4.62 1482 1319 A 11 TYR HA A 82 GLY HAy 1.0 . 5.50 1483 1320 A 11 TYR HA A 10 LYS HBx 1.0 . 5.26 1484 1320 A 11 TYR HA A 10 LYS HBy 1.0 . 5.26 1485 1321 A 9 VAL HGx% A 11 TYR HA 1.0 . 5.50 1486 1322 A 11 TYR HA A 9 VAL HGy% 1.0 . 4.93 1487 1323 A 11 TYR HA A 11 TYR HE% 1.0 . 4.30 1488 1324 A 81 ILE HD1% A 27 TRP HZ3 1.0 . 5.10 1489 1325 A 34 VAL HGx% A 27 TRP HZ3 1.0 . 4.51 1490 1326 A 17 ILE HG2% A 27 TRP HZ3 1.0 . 4.64 1491 1327 A 27 TRP HZ3 A 12 TYR HBx 1.0 . 5.03 1492 1328 A 16 GLU HBx A 27 TRP HZ3 1.0 . 5.50 1493 1329 A 27 TRP HZ3 A 16 GLU HGx 1.0 . 4.63 1494 1329 A 16 GLU HGy A 27 TRP HZ3 1.0 . 4.63 1495 1330 A 27 TRP HZ3 A 12 TYR HBy 1.0 . 5.03 1496 1331 A 17 ILE HA A 27 TRP HZ3 1.0 . 4.48 1497 1332 A 12 TYR HA A 27 TRP HZ3 1.0 . 5.48 1498 1333 A 17 ILE HB A 27 TRP HZ3 1.0 . 5.24 1499 1334 A 41 LEU HDx% A 48 GLU HA 1.0 . 4.93 1500 1335 A 48 GLU HA A 41 LEU HBy 1.0 . 4.37 1501 1336 A 48 GLU HA A 41 LEU HBx 1.0 . 4.80 1502 1337 A 48 GLU HA A 49 GLU HA 1.0 . 5.10 1503 1338 A 42 GLU HA A 48 GLU HA 1.0 . 4.56 1504 1339 A 35 TYR HD% A 80 ILE HG1x 1.0 . 5.00 1505 1339 A 80 ILE HG1y A 35 TYR HD% 1.0 . 5.00 1506 1340 A 81 ILE HG21 A 81 ILE HD1% 1.0 . 3.91 1507 1341 A 34 VAL HGx% A 81 ILE HD1% 1.0 . 3.68 1508 1342 A 81 ILE HD1% A 36 ASP HBy 1.0 . 3.52 1509 1343 A 81 ILE HD1% A 36 ASP HBx 1.0 . 4.67 1510 1344 A 81 ILE HA A 81 ILE HD1% 1.0 . 4.88 1511 1345 A 85 HIS HA A 86 PRO HDx 1.0 . 3.72 1512 1346 A 80 ILE HA A 35 TYR HA 1.0 . 3.43 1513 1347 A 40 PHE HA A 43 GLU HBy 1.0 . 3.92 1514 1348 A 40 PHE HA A 43 GLU HGx 1.0 . 3.85 1515 1348 A 40 PHE HA A 43 GLU HGy 1.0 . 3.85 1516 1349 A 60 THR HA A 30 LEU HDx% 1.0 . 4.41 1517 1350 A 35 TYR HE% A 30 LEU HDx% 1.0 . 4.90 1518 1351 A 31 HIS HD2 A 30 LEU HDx% 1.0 . 4.55 1519 1352 A 30 LEU HBy A 30 LEU HDx% 1.0 . 4.16 1520 1353 A 59 ALA HB% A 30 LEU HDx% 1.0 . 4.39 1521 1354 A 81 ILE HD1% A 81 ILE HB 1.0 . 4.09 1522 1355 A 34 VAL HB A 81 ILE HD1% 1.0 . 4.49 1523 1356 A 59 ALA HB% A 30 LEU HDy% 1.0 . 4.39 1524 1357 A 30 LEU HBy A 30 LEU HDy% 1.0 . 4.16 1525 1358 A 14 LEU HA A 17 ILE HG1x 1.0 . 3.72 1526 1359 A 14 LEU HA A 17 ILE HG1y 1.0 . 4.23 1527 1360 A 60 THR HA A 30 LEU HDy% 1.0 . 4.41 1528 1361 A 80 ILE HG21 A 80 ILE HG1x 1.0 . 3.40 1529 1361 A 80 ILE HG21 A 80 ILE HG1y 1.0 . 3.40 1530 1362 A 61 GLU HA A 62 ASN HA 1.0 . 4.73 1531 1363 A 81 ILE HG21 A 36 ASP HBx 1.0 . 4.95 1532 1364 A 60 THR HA A 60 THR HG2% 1.0 . 2.93 1533 1365 A 34 VAL HGy% A 81 ILE HD1% 1.0 . 4.52 1534 1366 A 22 HIS HA A 22 HIS HD2 1.0 . 3.61 1535 1367 A 20 HIS HA A 22 HIS HD2 1.0 . 3.36 1536 1368 A 22 HIS HD2 A 22 HIS HBy 1.0 . 3.44 1537 1369 A 21 ASN HBy A 22 HIS HD2 1.0 . 5.50 1538 1370 A 22 HIS HD2 A 19 LYS HBx 1.0 . 5.03 1539 1370 A 22 HIS HD2 A 19 LYS HBy 1.0 . 5.03 1540 1371 A 18 LYS HA A 19 LYS HA 1.0 . 4.79 1541 1372 A 55 ALA HB% A 52 ARG HA 1.0 . 3.23 1542 1373 A 52 ARG HA A 52 ARG HGx 1.0 . 3.48 1543 1373 A 52 ARG HGy A 52 ARG HA 1.0 . 3.48 1544 1374 A 52 ARG HA A 52 ARG HDx 1.0 . 3.88 1545 1374 A 52 ARG HA A 52 ARG HDy 1.0 . 3.88 1546 1375 A 53 GLU HBx A 52 ARG HDx 1.0 . 3.39 1547 1375 A 53 GLU HBx A 52 ARG HDy 1.0 . 3.39 1548 1376 A 26 THR HG2% A 52 ARG HDx 1.0 . 5.50 1549 1376 A 26 THR HG2% A 52 ARG HDy 1.0 . 5.50 1550 1377 A 48 GLU HGy A 52 ARG HDx 1.0 . 5.25 1551 1377 A 48 GLU HGx A 52 ARG HDx 1.0 . 5.25 1552 1377 A 52 ARG HDy A 48 GLU HGx 1.0 . 5.25 1553 1377 A 48 GLU HGy A 52 ARG HDy 1.0 . 5.25 1554 1378 A 51 LEU HA A 28 LEU HDy% 1.0 . 4.82 1555 1379 A 51 LEU HA A 28 LEU HDx% 1.0 . 4.82 1556 1380 A 41 LEU HDy% A 51 LEU HA 1.0 . 4.38 1557 1381 A 80 ILE HG21 A 80 ILE HA 1.0 . 3.93 1558 1382 A 80 ILE HA A 80 ILE HD1% 1.0 . 3.31 1559 1383 A 80 ILE HA A 81 ILE HG21 1.0 . 4.45 1560 1384 A 80 ILE HA A 80 ILE HG1x 1.0 . 3.91 1561 1384 A 80 ILE HG1y A 80 ILE HA 1.0 . 3.91 1562 1385 A 80 ILE HA A 81 ILE HD1% 1.0 . 5.18 1563 1386 A 82 GLY HAy A 80 ILE HG1x 1.0 . 4.62 1564 1386 A 80 ILE HG1y A 82 GLY HAy 1.0 . 4.62 1565 1387 A 82 GLY HAy A 80 ILE HD1% 1.0 . 5.16 1566 1388 A 39 LYS HDx A 39 LYS HEx 1.0 . 2.87 1567 1388 A 39 LYS HDy A 39 LYS HEx 1.0 . 2.87 1568 1388 A 39 LYS HEy A 39 LYS HDx 1.0 . 2.87 1569 1388 A 39 LYS HDy A 39 LYS HEy 1.0 . 2.87 1570 1389 A 10 LYS HA A 10 LYS HEx 1.0 . 4.27 1571 1389 A 10 LYS HA A 10 LYS HEy 1.0 . 4.27 1572 1390 A 50 VAL HA A 53 GLU HGy 1.0 . 3.72 1573 1391 A 10 LYS HA A 10 LYS HBx 1.0 . 2.87 1574 1391 A 10 LYS HA A 10 LYS HBy 1.0 . 2.87 1575 1392 A 77 LYS HA A 77 LYS HGx 1.0 . 3.11 1576 1392 A 77 LYS HA A 77 LYS HGy 1.0 . 3.11 1577 1393 A 55 ALA HA A 28 LEU HDx% 1.0 . 4.31 1578 1394 A 55 ALA HA A 28 LEU HDy% 1.0 . 4.31 1579 1395 A 26 THR HG2% A 55 ALA HA 1.0 . 3.07 1580 1396 A 53 GLU HA A 53 GLU HGy 1.0 . 3.93 1581 1397 A 19 LYS HA A 19 LYS HDx 1.0 . 3.48 1582 1397 A 19 LYS HA A 19 LYS HDy 1.0 . 3.48 1583 1398 A 19 LYS HA A 19 LYS HBx 1.0 . 2.75 1584 1398 A 19 LYS HA A 19 LYS HBy 1.0 . 2.75 1585 1399 A 61 GLU HA A 61 GLU HGx 1.0 . 4.14 1586 1400 A 60 THR HA A 30 LEU HBy 1.0 . 4.31 1587 1401 A 60 THR HA A 59 ALA HB% 1.0 . 4.49 1588 1402 A 60 THR HA A 30 LEU HG 1.0 . 4.80 1589 1403 A 62 ASN HBy A 59 ALA HB% 1.0 . 4.07 1590 1404 A 15 GLU HA A 15 GLU HBx 1.0 . 2.83 1591 1404 A 15 GLU HA A 15 GLU HBy 1.0 . 2.83 1592 1405 A 27 TRP H A 17 ILE HD1% 1.0 . 5.40 1593 1406 A 42 GLU HA A 42 GLU HGx 1.0 . 3.48 1594 1406 A 42 GLU HA A 42 GLU HGy 1.0 . 3.48 1595 1407 A 4 GLN HE2x A 4 GLN HGx 1.0 . 2.83 1596 1407 A 4 GLN HGy A 4 GLN HE2x 1.0 . 2.83 1597 1408 A 4 GLN HE2y A 4 GLN HGx 1.0 . 3.38 1598 1408 A 4 GLN HE2y A 4 GLN HGy 1.0 . 3.38 1599 1409 A 7 LYS HA A 6 ASP HBy 1.0 . 4.70 1600 1409 A 7 LYS HA A 6 ASP HBx 1.0 . 4.70 1601 1410 A 8 ASP H A 8 ASP HBx 1.0 . 3.23 1602 1410 A 8 ASP H A 8 ASP HBy 1.0 . 3.23 1603 1411 A 8 ASP HA A 8 ASP HBx 1.0 . 2.44 1604 1411 A 8 ASP HA A 8 ASP HBy 1.0 . 2.44 1605 1412 A 9 VAL H A 8 ASP HBx 1.0 . 2.97 1606 1412 A 9 VAL H A 8 ASP HBy 1.0 . 2.97 1607 1413 A 11 TYR HBx A 86 PRO HDx 1.0 . 4.52 1608 1413 A 11 TYR HBx A 86 PRO HDy 1.0 . 4.52 1609 1414 A 11 TYR HE% A 86 PRO HGx 1.0 . 3.77 1610 1414 A 11 TYR HE% A 86 PRO HGy 1.0 . 3.77 1611 1415 A 11 TYR HE% A 86 PRO HDx 1.0 . 3.25 1612 1415 A 11 TYR HE% A 86 PRO HDy 1.0 . 3.25 1613 1416 A 12 TYR H A 12 TYR HBx 1.0 . 3.32 1614 1416 A 12 TYR H A 12 TYR HBy 1.0 . 3.32 1615 1417 A 12 TYR H A 14 LEU HDy% 1.0 . 5.44 1616 1417 A 12 TYR H A 14 LEU HDx% 1.0 . 5.44 1617 1418 A 13 THR H A 12 TYR HBx 1.0 . 3.69 1618 1418 A 13 THR H A 12 TYR HBy 1.0 . 3.69 1619 1419 A 17 ILE H A 12 TYR HBx 1.0 . 4.39 1620 1419 A 17 ILE H A 12 TYR HBy 1.0 . 4.39 1621 1420 A 17 ILE HG2% A 12 TYR HBx 1.0 . 4.03 1622 1420 A 17 ILE HG2% A 12 TYR HBy 1.0 . 4.03 1623 1421 A 13 THR H A 14 LEU HDy% 1.0 . 5.23 1624 1421 A 13 THR H A 14 LEU HDx% 1.0 . 5.23 1625 1422 A 13 THR HA A 14 LEU HBy 1.0 . 5.18 1626 1422 A 13 THR HA A 14 LEU HBx 1.0 . 5.18 1627 1423 A 13 THR HA A 14 LEU HDy% 1.0 . 3.77 1628 1423 A 13 THR HA A 14 LEU HDx% 1.0 . 3.77 1629 1424 A 14 LEU H A 14 LEU HBy 1.0 . 3.21 1630 1424 A 14 LEU H A 14 LEU HBx 1.0 . 3.21 1631 1425 A 14 LEU H A 14 LEU HDy% 1.0 . 3.45 1632 1425 A 14 LEU H A 14 LEU HDx% 1.0 . 3.45 1633 1426 A 14 LEU H A 88 ASP HBx 1.0 . 4.60 1634 1426 A 14 LEU H A 88 ASP HBy 1.0 . 4.60 1635 1427 A 14 LEU HA A 14 LEU HDy% 1.0 . 3.75 1636 1427 A 14 LEU HA A 14 LEU HDx% 1.0 . 3.75 1637 1428 A 15 GLU H A 14 LEU HBy 1.0 . 3.08 1638 1428 A 15 GLU H A 14 LEU HBx 1.0 . 3.08 1639 1429 A 15 GLU H A 14 LEU HDy% 1.0 . 3.85 1640 1429 A 15 GLU H A 14 LEU HDx% 1.0 . 3.85 1641 1430 A 16 GLU H A 14 LEU HDy% 1.0 . 5.27 1642 1430 A 16 GLU H A 14 LEU HDx% 1.0 . 5.27 1643 1431 A 17 ILE H A 14 LEU HDy% 1.0 . 5.23 1644 1431 A 17 ILE H A 14 LEU HDx% 1.0 . 5.23 1645 1432 A 17 ILE HB A 14 LEU HDy% 1.0 . 5.44 1646 1432 A 17 ILE HB A 14 LEU HDx% 1.0 . 5.44 1647 1433 A 17 ILE HG1x A 14 LEU HDy% 1.0 . 4.09 1648 1433 A 17 ILE HG1x A 14 LEU HDx% 1.0 . 4.09 1649 1434 A 84 LEU H A 14 LEU HDy% 1.0 . 5.34 1650 1434 A 84 LEU H A 14 LEU HDx% 1.0 . 5.34 1651 1435 A 84 LEU HA A 14 LEU HDy% 1.0 . 4.09 1652 1435 A 84 LEU HA A 14 LEU HDx% 1.0 . 4.09 1653 1436 A 85 HIS H A 14 LEU HDy% 1.0 . 3.42 1654 1436 A 85 HIS H A 14 LEU HDx% 1.0 . 3.42 1655 1437 A 88 ASP H A 14 LEU HDy% 1.0 . 3.83 1656 1437 A 88 ASP H A 14 LEU HDx% 1.0 . 3.83 1657 1438 A 14 LEU HDy% A 88 ASP HBx 1.0 . 3.56 1658 1438 A 14 LEU HDx% A 88 ASP HBx 1.0 . 3.56 1659 1438 A 88 ASP HBy A 14 LEU HDy% 1.0 . 3.56 1660 1438 A 14 LEU HDx% A 88 ASP HBy 1.0 . 3.56 1661 1439 A 17 ILE HD1% A 56 GLY HAx 1.0 . 4.55 1662 1439 A 17 ILE HD1% A 56 GLY HAy 1.0 . 4.55 1663 1440 A 18 LYS HBy A 56 GLY HAx 1.0 . 4.37 1664 1440 A 18 LYS HBx A 56 GLY HAx 1.0 . 4.37 1665 1440 A 56 GLY HAy A 18 LYS HBx 1.0 . 4.37 1666 1440 A 18 LYS HBy A 56 GLY HAy 1.0 . 4.37 1667 1441 A 19 LYS H A 56 GLY HAx 1.0 . 5.34 1668 1441 A 19 LYS H A 56 GLY HAy 1.0 . 5.34 1669 1442 A 20 HIS H A 20 HIS HBy 1.0 . 3.24 1670 1442 A 20 HIS H A 20 HIS HBx 1.0 . 3.24 1671 1443 A 20 HIS H A 56 GLY HAx 1.0 . 4.78 1672 1443 A 20 HIS H A 56 GLY HAy 1.0 . 4.78 1673 1444 A 22 HIS H A 20 HIS HBy 1.0 . 4.58 1674 1444 A 22 HIS H A 20 HIS HBx 1.0 . 4.58 1675 1445 A 22 HIS HD2 A 20 HIS HBy 1.0 . 5.34 1676 1445 A 22 HIS HD2 A 20 HIS HBx 1.0 . 5.34 1677 1446 A 27 TRP H A 20 HIS HBy 1.0 . 3.82 1678 1446 A 27 TRP H A 20 HIS HBx 1.0 . 3.82 1679 1447 A 21 ASN H A 25 SER HBx 1.0 . 5.34 1680 1447 A 21 ASN H A 25 SER HBy 1.0 . 5.34 1681 1448 A 21 ASN H A 56 GLY HAx 1.0 . 4.37 1682 1448 A 21 ASN H A 56 GLY HAy 1.0 . 4.37 1683 1449 A 21 ASN HA A 56 GLY HAx 1.0 . 4.77 1684 1449 A 21 ASN HA A 56 GLY HAy 1.0 . 4.77 1685 1450 A 21 ASN HBy A 56 GLY HAx 1.0 . 4.54 1686 1450 A 21 ASN HBy A 56 GLY HAy 1.0 . 4.54 1687 1451 A 21 ASN HBx A 56 GLY HAx 1.0 . 4.44 1688 1451 A 21 ASN HBx A 56 GLY HAy 1.0 . 4.44 1689 1452 A 22 HIS H A 23 SER HBy 1.0 . 5.24 1690 1452 A 22 HIS H A 23 SER HBx 1.0 . 5.24 1691 1453 A 22 HIS H A 25 SER HBx 1.0 . 4.34 1692 1453 A 22 HIS H A 25 SER HBy 1.0 . 4.34 1693 1454 A 22 HIS HA A 23 SER HBy 1.0 . 4.85 1694 1454 A 22 HIS HA A 23 SER HBx 1.0 . 4.85 1695 1455 A 24 LYS H A 23 SER HBy 1.0 . 4.22 1696 1455 A 24 LYS H A 23 SER HBx 1.0 . 4.22 1697 1456 A 24 LYS H A 24 LYS HGx 1.0 . 3.73 1698 1456 A 24 LYS H A 24 LYS HGy 1.0 . 3.73 1699 1457 A 24 LYS HA A 24 LYS HGx 1.0 . 3.54 1700 1457 A 24 LYS HA A 24 LYS HGy 1.0 . 3.54 1701 1458 A 25 SER H A 24 LYS HGx 1.0 . 3.62 1702 1458 A 25 SER H A 24 LYS HGy 1.0 . 3.62 1703 1459 A 38 THR HG2% A 24 LYS HGx 1.0 . 5.07 1704 1459 A 38 THR HG2% A 24 LYS HGy 1.0 . 5.07 1705 1460 A 25 SER H A 25 SER HBx 1.0 . 3.17 1706 1460 A 25 SER H A 25 SER HBy 1.0 . 3.17 1707 1461 A 27 TRP H A 56 GLY HAx 1.0 . 5.16 1708 1461 A 27 TRP H A 56 GLY HAy 1.0 . 5.16 1709 1462 A 27 TRP HA A 28 LEU HBx 1.0 . 5.34 1710 1462 A 27 TRP HA A 28 LEU HBy 1.0 . 5.34 1711 1463 A 27 TRP HA A 28 LEU HDy% 1.0 . 5.44 1712 1463 A 27 TRP HA A 28 LEU HDx% 1.0 . 5.44 1713 1464 A 28 LEU H A 28 LEU HBx 1.0 . 3.69 1714 1464 A 28 LEU H A 28 LEU HBy 1.0 . 3.69 1715 1465 A 28 LEU HA A 28 LEU HDy% 1.0 . 4.32 1716 1465 A 28 LEU HA A 28 LEU HDx% 1.0 . 4.32 1717 1466 A 29 ILE H A 28 LEU HBx 1.0 . 3.17 1718 1466 A 29 ILE H A 28 LEU HBy 1.0 . 3.17 1719 1467 A 30 LEU H A 28 LEU HBx 1.0 . 5.23 1720 1467 A 30 LEU H A 28 LEU HBy 1.0 . 5.23 1721 1468 A 28 LEU HBy A 30 LEU HDy% 1.0 . 4.59 1722 1468 A 28 LEU HBx A 30 LEU HDy% 1.0 . 4.59 1723 1468 A 30 LEU HDx% A 28 LEU HBx 1.0 . 4.59 1724 1468 A 28 LEU HBy A 30 LEU HDx% 1.0 . 4.59 1725 1469 A 35 TYR H A 28 LEU HBx 1.0 . 4.33 1726 1469 A 35 TYR H A 28 LEU HBy 1.0 . 4.33 1727 1470 A 35 TYR HD% A 28 LEU HBx 1.0 . 4.05 1728 1470 A 35 TYR HD% A 28 LEU HBy 1.0 . 4.05 1729 1471 A 55 ALA HA A 28 LEU HBx 1.0 . 4.62 1730 1471 A 55 ALA HA A 28 LEU HBy 1.0 . 4.62 1731 1472 A 56 GLY H A 28 LEU HBx 1.0 . 5.17 1732 1472 A 56 GLY H A 28 LEU HBy 1.0 . 5.17 1733 1473 A 57 GLY H A 28 LEU HBx 1.0 . 5.34 1734 1473 A 57 GLY H A 28 LEU HBy 1.0 . 5.34 1735 1474 A 59 ALA H A 28 LEU HBx 1.0 . 4.81 1736 1474 A 59 ALA H A 28 LEU HBy 1.0 . 4.81 1737 1475 A 59 ALA HB% A 28 LEU HBx 1.0 . 4.29 1738 1475 A 59 ALA HB% A 28 LEU HBy 1.0 . 4.29 1739 1476 A 29 ILE H A 28 LEU HDy% 1.0 . 3.89 1740 1476 A 29 ILE H A 28 LEU HDx% 1.0 . 3.89 1741 1477 A 30 LEU HG A 28 LEU HDy% 1.0 . 4.27 1742 1477 A 30 LEU HG A 28 LEU HDx% 1.0 . 4.27 1743 1478 A 28 LEU HDy% A 30 LEU HDy% 1.0 . 3.62 1744 1478 A 28 LEU HDx% A 30 LEU HDy% 1.0 . 3.62 1745 1478 A 30 LEU HDx% A 28 LEU HDy% 1.0 . 3.62 1746 1478 A 28 LEU HDx% A 30 LEU HDx% 1.0 . 3.62 1747 1479 A 35 TYR H A 28 LEU HDy% 1.0 . 5.44 1748 1479 A 35 TYR H A 28 LEU HDx% 1.0 . 5.44 1749 1480 A 37 LEU H A 28 LEU HDy% 1.0 . 4.59 1750 1480 A 37 LEU H A 28 LEU HDx% 1.0 . 4.59 1751 1481 A 28 LEU HDx% A 37 LEU HBy 1.0 . 4.23 1752 1481 A 28 LEU HDy% A 37 LEU HBy 1.0 . 4.23 1753 1481 A 37 LEU HBx A 28 LEU HDy% 1.0 . 4.23 1754 1481 A 28 LEU HDx% A 37 LEU HBx 1.0 . 4.23 1755 1482 A 28 LEU HDy% A 37 LEU HDx% 1.0 . 3.48 1756 1482 A 28 LEU HDx% A 37 LEU HDx% 1.0 . 3.48 1757 1482 A 37 LEU HD21 A 28 LEU HDy% 1.0 . 3.48 1758 1482 A 28 LEU HDx% A 37 LEU HD21 1.0 . 3.48 1759 1483 A 51 LEU HA A 28 LEU HDy% 1.0 . 4.11 1760 1483 A 51 LEU HA A 28 LEU HDx% 1.0 . 4.11 1761 1484 A 28 LEU HDx% A 51 LEU HBx 1.0 . 4.96 1762 1484 A 28 LEU HDy% A 51 LEU HBx 1.0 . 4.96 1763 1484 A 51 LEU HBy A 28 LEU HDy% 1.0 . 4.96 1764 1484 A 51 LEU HBy A 28 LEU HDx% 1.0 . 4.96 1765 1485 A 52 ARG HA A 28 LEU HDy% 1.0 . 5.44 1766 1485 A 52 ARG HA A 28 LEU HDx% 1.0 . 5.44 1767 1486 A 54 GLN H A 28 LEU HDy% 1.0 . 3.95 1768 1486 A 54 GLN H A 28 LEU HDx% 1.0 . 3.95 1769 1487 A 54 GLN HGx A 28 LEU HDy% 1.0 . 4.65 1770 1487 A 54 GLN HGx A 28 LEU HDx% 1.0 . 4.65 1771 1488 A 54 GLN HE2y A 28 LEU HDy% 1.0 . 5.17 1772 1488 A 54 GLN HE2y A 28 LEU HDx% 1.0 . 5.17 1773 1489 A 55 ALA H A 28 LEU HDy% 1.0 . 3.90 1774 1489 A 55 ALA H A 28 LEU HDx% 1.0 . 3.90 1775 1490 A 55 ALA HA A 28 LEU HDy% 1.0 . 3.39 1776 1490 A 55 ALA HA A 28 LEU HDx% 1.0 . 3.39 1777 1491 A 56 GLY H A 28 LEU HDy% 1.0 . 4.36 1778 1491 A 56 GLY H A 28 LEU HDx% 1.0 . 4.36 1779 1492 A 57 GLY H A 28 LEU HDy% 1.0 . 4.10 1780 1492 A 57 GLY H A 28 LEU HDx% 1.0 . 4.10 1781 1493 A 58 ASP H A 28 LEU HDy% 1.0 . 5.44 1782 1493 A 58 ASP H A 28 LEU HDx% 1.0 . 5.44 1783 1494 A 59 ALA H A 28 LEU HDy% 1.0 . 4.31 1784 1494 A 59 ALA H A 28 LEU HDx% 1.0 . 4.31 1785 1495 A 59 ALA HB% A 28 LEU HDy% 1.0 . 3.61 1786 1495 A 59 ALA HB% A 28 LEU HDx% 1.0 . 3.61 1787 1496 A 29 ILE H A 29 ILE HG1x 1.0 . 4.21 1788 1496 A 29 ILE H A 29 ILE HG1y 1.0 . 4.21 1789 1497 A 29 ILE H A 30 LEU HDy% 1.0 . 5.17 1790 1497 A 29 ILE H A 30 LEU HDx% 1.0 . 5.17 1791 1498 A 29 ILE H A 58 ASP HBx 1.0 . 4.88 1792 1498 A 29 ILE H A 58 ASP HBy 1.0 . 4.88 1793 1499 A 29 ILE HA A 29 ILE HG1x 1.0 . 3.51 1794 1499 A 29 ILE HA A 29 ILE HG1y 1.0 . 3.51 1795 1500 A 32 HIS HA A 29 ILE HG1x 1.0 . 4.98 1796 1500 A 32 HIS HA A 29 ILE HG1y 1.0 . 4.98 1797 1501 A 33 LYS H A 29 ILE HG1x 1.0 . 3.84 1798 1501 A 33 LYS H A 29 ILE HG1y 1.0 . 3.84 1799 1502 A 34 VAL HA A 29 ILE HG1x 1.0 . 5.03 1800 1502 A 34 VAL HA A 29 ILE HG1y 1.0 . 5.03 1801 1503 A 34 VAL HGx% A 29 ILE HG1x 1.0 . 4.00 1802 1503 A 34 VAL HGx% A 29 ILE HG1y 1.0 . 4.00 1803 1504 A 34 VAL HGy% A 29 ILE HG1x 1.0 . 3.67 1804 1504 A 34 VAL HGy% A 29 ILE HG1y 1.0 . 3.67 1805 1505 A 58 ASP HA A 29 ILE HG1x 1.0 . 5.07 1806 1505 A 58 ASP HA A 29 ILE HG1y 1.0 . 5.07 1807 1506 A 84 LEU H A 29 ILE HG1x 1.0 . 5.15 1808 1506 A 84 LEU H A 29 ILE HG1y 1.0 . 5.15 1809 1507 A 30 LEU H A 30 LEU HDy% 1.0 . 4.08 1810 1507 A 30 LEU H A 30 LEU HDx% 1.0 . 4.08 1811 1508 A 30 LEU HA A 30 LEU HDy% 1.0 . 4.26 1812 1508 A 30 LEU HA A 30 LEU HDx% 1.0 . 4.26 1813 1509 A 31 HIS H A 30 LEU HDy% 1.0 . 3.97 1814 1509 A 31 HIS H A 30 LEU HDx% 1.0 . 3.97 1815 1510 A 31 HIS HD2 A 30 LEU HDy% 1.0 . 3.63 1816 1510 A 31 HIS HD2 A 30 LEU HDx% 1.0 . 3.63 1817 1511 A 35 TYR HD% A 30 LEU HDy% 1.0 . 3.74 1818 1511 A 35 TYR HD% A 30 LEU HDx% 1.0 . 3.74 1819 1512 A 35 TYR HE% A 30 LEU HDy% 1.0 . 3.90 1820 1512 A 35 TYR HE% A 30 LEU HDx% 1.0 . 3.90 1821 1513 A 59 ALA H A 30 LEU HDy% 1.0 . 4.00 1822 1513 A 59 ALA H A 30 LEU HDx% 1.0 . 4.00 1823 1514 A 59 ALA HB% A 30 LEU HDy% 1.0 . 3.38 1824 1514 A 59 ALA HB% A 30 LEU HDx% 1.0 . 3.38 1825 1515 A 60 THR H A 30 LEU HDy% 1.0 . 3.80 1826 1515 A 60 THR H A 30 LEU HDx% 1.0 . 3.80 1827 1516 A 60 THR HA A 30 LEU HDy% 1.0 . 2.97 1828 1516 A 60 THR HA A 30 LEU HDx% 1.0 . 2.97 1829 1517 A 60 THR HB A 30 LEU HDy% 1.0 . 4.25 1830 1517 A 60 THR HB A 30 LEU HDx% 1.0 . 4.25 1831 1518 A 60 THR HG2% A 30 LEU HDy% 1.0 . 3.49 1832 1518 A 60 THR HG2% A 30 LEU HDx% 1.0 . 3.49 1833 1519 A 61 GLU H A 30 LEU HDy% 1.0 . 4.54 1834 1519 A 61 GLU H A 30 LEU HDx% 1.0 . 4.54 1835 1520 A 62 ASN H A 30 LEU HDy% 1.0 . 4.67 1836 1520 A 62 ASN H A 30 LEU HDx% 1.0 . 4.67 1837 1521 A 63 PHE H A 30 LEU HDy% 1.0 . 3.85 1838 1521 A 63 PHE H A 30 LEU HDx% 1.0 . 3.85 1839 1522 A 30 LEU HDx% A 63 PHE HBx 1.0 . 4.11 1840 1522 A 30 LEU HDy% A 63 PHE HBx 1.0 . 4.11 1841 1522 A 63 PHE HBy A 30 LEU HDy% 1.0 . 4.11 1842 1522 A 30 LEU HDx% A 63 PHE HBy 1.0 . 4.11 1843 1523 A 64 GLU H A 30 LEU HDy% 1.0 . 4.45 1844 1523 A 64 GLU H A 30 LEU HDx% 1.0 . 4.45 1845 1524 A 31 HIS HE1 A 64 GLU HBx 1.0 . 5.34 1846 1524 A 31 HIS HE1 A 64 GLU HBy 1.0 . 5.34 1847 1525 A 84 LEU H A 32 HIS HBy 1.0 . 5.34 1848 1525 A 84 LEU H A 32 HIS HBx 1.0 . 5.34 1849 1526 A 37 LEU H A 37 LEU HBy 1.0 . 3.33 1850 1526 A 37 LEU H A 37 LEU HBx 1.0 . 3.33 1851 1527 A 37 LEU H A 37 LEU HDx% 1.0 . 3.52 1852 1527 A 37 LEU H A 37 LEU HD21 1.0 . 3.52 1853 1528 A 37 LEU HA A 37 LEU HDx% 1.0 . 4.02 1854 1528 A 37 LEU HA A 37 LEU HD21 1.0 . 4.02 1855 1529 A 38 THR H A 37 LEU HBy 1.0 . 4.19 1856 1529 A 38 THR H A 37 LEU HBx 1.0 . 4.19 1857 1530 A 40 PHE H A 37 LEU HBy 1.0 . 3.65 1858 1530 A 40 PHE H A 37 LEU HBx 1.0 . 3.65 1859 1531 A 40 PHE HA A 37 LEU HBy 1.0 . 5.21 1860 1531 A 40 PHE HA A 37 LEU HBx 1.0 . 5.21 1861 1532 A 40 PHE HDx A 37 LEU HBy 1.0 . 5.34 1862 1532 A 40 PHE HDx A 37 LEU HBx 1.0 . 5.34 1863 1533 A 41 LEU H A 37 LEU HBy 1.0 . 4.44 1864 1533 A 41 LEU H A 37 LEU HBx 1.0 . 4.44 1865 1534 A 79 PHE HD% A 37 LEU HBy 1.0 . 4.19 1866 1534 A 79 PHE HD% A 37 LEU HBx 1.0 . 4.19 1867 1535 A 38 THR H A 37 LEU HDx% 1.0 . 4.60 1868 1535 A 38 THR H A 37 LEU HD21 1.0 . 4.60 1869 1536 A 79 PHE HD% A 37 LEU HDx% 1.0 . 4.24 1870 1536 A 79 PHE HD% A 37 LEU HD21 1.0 . 4.24 1871 1537 A 39 LYS H A 39 LYS HBx 1.0 . 3.21 1872 1537 A 39 LYS H A 39 LYS HBy 1.0 . 3.21 1873 1538 A 40 PHE H A 39 LYS HBx 1.0 . 3.68 1874 1538 A 40 PHE H A 39 LYS HBy 1.0 . 3.68 1875 1539 A 40 PHE HA A 43 GLU HBx 1.0 . 3.43 1876 1539 A 40 PHE HA A 43 GLU HBy 1.0 . 3.43 1877 1540 A 40 PHE HDx A 43 GLU HBx 1.0 . 4.53 1878 1540 A 40 PHE HDx A 43 GLU HBy 1.0 . 4.53 1879 1541 A 42 GLU H A 43 GLU HBx 1.0 . 4.81 1880 1541 A 42 GLU H A 43 GLU HBy 1.0 . 4.81 1881 1542 A 43 GLU H A 43 GLU HBx 1.0 . 2.82 1882 1542 A 43 GLU H A 43 GLU HBy 1.0 . 2.82 1883 1543 A 43 GLU H A 44 HIS HBx 1.0 . 4.67 1884 1543 A 43 GLU H A 44 HIS HBy 1.0 . 4.67 1885 1544 A 44 HIS H A 43 GLU HBx 1.0 . 3.62 1886 1544 A 44 HIS H A 43 GLU HBy 1.0 . 3.62 1887 1545 A 44 HIS H A 44 HIS HBx 1.0 . 3.65 1888 1545 A 44 HIS H A 44 HIS HBy 1.0 . 3.65 1889 1546 A 48 GLU HA A 47 GLY HAy 1.0 . 4.23 1890 1546 A 48 GLU HA A 47 GLY HAx 1.0 . 4.23 1891 1547 A 49 GLU H A 47 GLY HAy 1.0 . 3.95 1892 1547 A 49 GLU H A 47 GLY HAx 1.0 . 3.95 1893 1548 A 48 GLU H A 49 GLU HBx 1.0 . 4.08 1894 1548 A 48 GLU H A 49 GLU HBy 1.0 . 4.08 1895 1549 A 48 GLU HA A 51 LEU HDx% 1.0 . 4.31 1896 1549 A 48 GLU HA A 51 LEU HD21 1.0 . 4.31 1897 1550 A 49 GLU H A 49 GLU HBx 1.0 . 3.02 1898 1550 A 49 GLU H A 49 GLU HBy 1.0 . 3.02 1899 1551 A 49 GLU H A 50 VAL HGy% 1.0 . 4.53 1900 1551 A 49 GLU H A 50 VAL HGx% 1.0 . 4.53 1901 1552 A 50 VAL H A 49 GLU HBx 1.0 . 3.41 1902 1552 A 50 VAL H A 49 GLU HBy 1.0 . 3.41 1903 1553 A 50 VAL H A 50 VAL HGy% 1.0 . 3.27 1904 1553 A 50 VAL H A 50 VAL HGx% 1.0 . 3.27 1905 1554 A 51 LEU H A 50 VAL HGy% 1.0 . 4.25 1906 1554 A 51 LEU H A 50 VAL HGx% 1.0 . 4.25 1907 1555 A 52 ARG H A 50 VAL HGy% 1.0 . 5.33 1908 1555 A 52 ARG H A 50 VAL HGx% 1.0 . 5.33 1909 1556 A 51 LEU H A 51 LEU HDx% 1.0 . 3.94 1910 1556 A 51 LEU H A 51 LEU HD21 1.0 . 3.94 1911 1557 A 51 LEU HA A 51 LEU HDx% 1.0 . 3.51 1912 1557 A 51 LEU HA A 51 LEU HD21 1.0 . 3.51 1913 1558 A 55 ALA HA A 56 GLY HAx 1.0 . 4.39 1914 1558 A 55 ALA HA A 56 GLY HAy 1.0 . 4.39 1915 1559 A 55 ALA HB% A 56 GLY HAx 1.0 . 4.57 1916 1559 A 55 ALA HB% A 56 GLY HAy 1.0 . 4.57 1917 1560 A 56 GLY H A 57 GLY HAx 1.0 . 5.25 1918 1560 A 56 GLY H A 57 GLY HAy 1.0 . 5.25 1919 1561 A 57 GLY H A 56 GLY HAx 1.0 . 3.03 1920 1561 A 57 GLY H A 56 GLY HAy 1.0 . 3.03 1921 1562 A 60 THR H A 61 GLU HGy 1.0 . 4.73 1922 1562 A 60 THR H A 61 GLU HGx 1.0 . 4.73 1923 1563 A 60 THR HG2% A 61 GLU HGy 1.0 . 5.29 1924 1563 A 60 THR HG2% A 61 GLU HGx 1.0 . 5.29 1925 1564 A 60 THR HG2% A 64 GLU HBx 1.0 . 4.40 1926 1564 A 60 THR HG2% A 64 GLU HBy 1.0 . 4.40 1927 1565 A 60 THR HG2% A 64 GLU HGy 1.0 . 4.43 1928 1565 A 60 THR HG2% A 64 GLU HGx 1.0 . 4.43 1929 1566 A 61 GLU H A 61 GLU HGy 1.0 . 3.04 1930 1566 A 61 GLU H A 61 GLU HGx 1.0 . 3.04 1931 1567 A 61 GLU HA A 61 GLU HGy 1.0 . 3.42 1932 1567 A 61 GLU HA A 61 GLU HGx 1.0 . 3.42 1933 1568 A 61 GLU HA A 64 GLU HBx 1.0 . 3.77 1934 1568 A 61 GLU HA A 64 GLU HBy 1.0 . 3.77 1935 1569 A 61 GLU HA A 64 GLU HGy 1.0 . 4.79 1936 1569 A 61 GLU HA A 64 GLU HGx 1.0 . 4.79 1937 1570 A 62 ASN HBy A 61 GLU HGy 1.0 . 4.33 1938 1570 A 62 ASN HBy A 61 GLU HGx 1.0 . 4.33 1939 1571 A 62 ASN HBx A 61 GLU HGy 1.0 . 5.08 1940 1571 A 62 ASN HBx A 61 GLU HGx 1.0 . 5.08 1941 1572 A 62 ASN H A 63 PHE HBx 1.0 . 4.26 1942 1572 A 62 ASN H A 63 PHE HBy 1.0 . 4.26 1943 1573 A 62 ASN H A 64 GLU HGy 1.0 . 5.34 1944 1573 A 62 ASN H A 64 GLU HGx 1.0 . 5.34 1945 1574 A 62 ASN HA A 64 GLU HGy 1.0 . 4.74 1946 1574 A 62 ASN HA A 64 GLU HGx 1.0 . 4.74 1947 1575 A 63 PHE H A 63 PHE HBx 1.0 . 3.22 1948 1575 A 63 PHE H A 63 PHE HBy 1.0 . 3.22 1949 1576 A 63 PHE H A 64 GLU HGy 1.0 . 4.57 1950 1576 A 63 PHE H A 64 GLU HGx 1.0 . 4.57 1951 1577 A 64 GLU H A 63 PHE HBx 1.0 . 4.25 1952 1577 A 64 GLU H A 63 PHE HBy 1.0 . 4.25 1953 1578 A 64 GLU H A 64 GLU HBx 1.0 . 3.19 1954 1578 A 64 GLU H A 64 GLU HBy 1.0 . 3.19 1955 1579 A 64 GLU H A 64 GLU HGy 1.0 . 3.46 1956 1579 A 64 GLU H A 64 GLU HGx 1.0 . 3.46 1957 1580 A 64 GLU HA A 64 GLU HGy 1.0 . 3.66 1958 1580 A 64 GLU HA A 64 GLU HGx 1.0 . 3.66 1959 1581 A 64 GLU HA A 67 GLY HAx 1.0 . 5.01 1960 1581 A 64 GLU HA A 67 GLY HAy 1.0 . 5.01 1961 1582 A 65 ASP H A 64 GLU HBx 1.0 . 3.65 1962 1582 A 65 ASP H A 64 GLU HBy 1.0 . 3.65 1963 1583 A 66 VAL H A 64 GLU HBx 1.0 . 5.34 1964 1583 A 66 VAL H A 64 GLU HBy 1.0 . 5.34 1965 1584 A 65 ASP H A 64 GLU HGy 1.0 . 2.84 1966 1584 A 65 ASP H A 64 GLU HGx 1.0 . 2.84 1967 1585 A 65 ASP HA A 64 GLU HGy 1.0 . 4.99 1968 1585 A 65 ASP HA A 64 GLU HGx 1.0 . 4.99 1969 1586 A 66 VAL HA A 67 GLY HAx 1.0 . 4.65 1970 1586 A 66 VAL HA A 67 GLY HAy 1.0 . 4.65 1971 1587 A 70 THR H A 69 SER HBy 1.0 . 3.39 1972 1587 A 70 THR H A 69 SER HBx 1.0 . 3.39 1973 1588 A 71 ASP H A 69 SER HBy 1.0 . 3.63 1974 1588 A 71 ASP H A 69 SER HBx 1.0 . 3.63 1975 1589 A 72 ALA H A 69 SER HBy 1.0 . 4.73 1976 1589 A 72 ALA H A 69 SER HBx 1.0 . 4.73 1977 1590 A 73 ARG H A 69 SER HBy 1.0 . 5.30 1978 1590 A 73 ARG H A 69 SER HBx 1.0 . 5.30 1979 1591 A 70 THR HA A 73 ARG HBx 1.0 . 3.61 1980 1591 A 70 THR HA A 73 ARG HBy 1.0 . 3.61 1981 1592 A 70 THR HB A 71 ASP HBx 1.0 . 4.63 1982 1592 A 70 THR HB A 71 ASP HBy 1.0 . 4.63 1983 1593 A 70 THR HG2% A 73 ARG HBx 1.0 . 4.45 1984 1593 A 70 THR HG2% A 73 ARG HBy 1.0 . 4.45 1985 1594 A 70 THR HG2% A 74 GLU HGy 1.0 . 3.30 1986 1594 A 70 THR HG2% A 74 GLU HGx 1.0 . 3.30 1987 1595 A 71 ASP H A 71 ASP HBx 1.0 . 2.82 1988 1595 A 71 ASP H A 71 ASP HBy 1.0 . 2.82 1989 1596 A 71 ASP HA A 74 GLU HGy 1.0 . 3.74 1990 1596 A 71 ASP HA A 74 GLU HGx 1.0 . 3.74 1991 1597 A 72 ALA H A 71 ASP HBx 1.0 . 3.38 1992 1597 A 72 ALA H A 71 ASP HBy 1.0 . 3.38 1993 1598 A 72 ALA H A 73 ARG HBx 1.0 . 4.78 1994 1598 A 72 ALA H A 73 ARG HBy 1.0 . 4.78 1995 1599 A 73 ARG H A 73 ARG HBx 1.0 . 3.44 1996 1599 A 73 ARG H A 73 ARG HBy 1.0 . 3.44 1997 1600 A 73 ARG H A 74 GLU HGy 1.0 . 4.73 1998 1600 A 73 ARG H A 74 GLU HGx 1.0 . 4.73 1999 1601 A 74 GLU HA A 73 ARG HBx 1.0 . 4.77 2000 1601 A 74 GLU HA A 73 ARG HBy 1.0 . 4.77 2001 1602 A 73 ARG HBy A 74 GLU HGy 1.0 . 4.72 2002 1602 A 73 ARG HBx A 74 GLU HGy 1.0 . 4.72 2003 1602 A 74 GLU HGx A 73 ARG HBx 1.0 . 4.72 2004 1602 A 73 ARG HBy A 74 GLU HGx 1.0 . 4.72 2005 1603 A 74 GLU H A 74 GLU HGy 1.0 . 2.86 2006 1603 A 74 GLU H A 74 GLU HGx 1.0 . 2.86 2007 1604 A 75 LEU H A 74 GLU HGy 1.0 . 4.17 2008 1604 A 75 LEU H A 74 GLU HGx 1.0 . 4.17 2009 1605 A 75 LEU H A 75 LEU HBy 1.0 . 2.96 2010 1605 A 75 LEU H A 75 LEU HBx 1.0 . 2.96 2011 1606 A 75 LEU H A 75 LEU HDx% 1.0 . 4.92 2012 1606 A 75 LEU H A 75 LEU HD21 1.0 . 4.92 2013 1607 A 76 SER H A 75 LEU HBy 1.0 . 3.46 2014 1607 A 76 SER H A 75 LEU HBx 1.0 . 3.46 2015 1608 A 76 SER H A 75 LEU HDx% 1.0 . 5.06 2016 1608 A 76 SER H A 75 LEU HD21 1.0 . 5.06 2017 1609 A 78 THR H A 75 LEU HDx% 1.0 . 4.65 2018 1609 A 78 THR H A 75 LEU HD21 1.0 . 4.65 2019 1610 A 79 PHE HE% A 75 LEU HDx% 1.0 . 5.00 2020 1610 A 79 PHE HE% A 75 LEU HD21 1.0 . 5.00 2021 1611 A 83 GLU HA A 84 LEU HBy 1.0 . 4.57 2022 1611 A 83 GLU HA A 84 LEU HBx 1.0 . 4.57 2023 1612 A 83 GLU HBx A 84 LEU HBy 1.0 . 5.06 2024 1612 A 83 GLU HBx A 84 LEU HBx 1.0 . 5.06 2025 1613 A 84 LEU H A 84 LEU HBy 1.0 . 3.57 2026 1613 A 84 LEU H A 84 LEU HBx 1.0 . 3.57 2027 1614 A 84 LEU HBx A 89 ARG HBy 1.0 . 5.18 2028 1614 A 84 LEU HBy A 89 ARG HBy 1.0 . 5.18 2029 1614 A 89 ARG HBx A 84 LEU HBy 1.0 . 5.18 2030 1614 A 84 LEU HBx A 89 ARG HBx 1.0 . 5.18 2031 1615 A 85 HIS H A 86 PRO HDx 1.0 . 4.74 2032 1615 A 85 HIS H A 86 PRO HDy 1.0 . 4.74 2033 1616 A 85 HIS HA A 86 PRO HGx 1.0 . 4.59 2034 1616 A 85 HIS HA A 86 PRO HGy 1.0 . 4.59 2035 1617 A 85 HIS HA A 86 PRO HDx 1.0 . 3.13 2036 1617 A 85 HIS HA A 86 PRO HDy 1.0 . 3.13 2037 1618 A 85 HIS HA A 89 ARG HBy 1.0 . 5.34 2038 1618 A 85 HIS HA A 89 ARG HBx 1.0 . 5.34 2039 1619 A 85 HIS HBy A 86 PRO HDx 1.0 . 4.59 2040 1619 A 85 HIS HBy A 86 PRO HDy 1.0 . 4.59 2041 1620 A 85 HIS HBx A 86 PRO HDx 1.0 . 4.72 2042 1620 A 85 HIS HBx A 86 PRO HDy 1.0 . 4.72 2043 1621 A 85 HIS HD2 A 86 PRO HDx 1.0 . 3.72 2044 1621 A 85 HIS HD2 A 86 PRO HDy 1.0 . 3.72 2045 1622 A 85 HIS HE1 A 86 PRO HDx 1.0 . 4.89 2046 1622 A 86 PRO HDy A 85 HIS HE1 1.0 . 4.89 2047 1623 A 86 PRO HA A 89 ARG HBy 1.0 . 3.31 2048 1623 A 86 PRO HA A 89 ARG HBx 1.0 . 3.31 2049 1624 A 87 ASP H A 86 PRO HGx 1.0 . 4.62 2050 1624 A 87 ASP H A 86 PRO HGy 1.0 . 4.62 2051 1625 A 87 ASP H A 86 PRO HDx 1.0 . 3.72 2052 1625 A 87 ASP H A 86 PRO HDy 1.0 . 3.72 2053 1626 A 88 ASP H A 86 PRO HDx 1.0 . 4.63 2054 1626 A 88 ASP H A 86 PRO HDy 1.0 . 4.63 2055 1627 A 86 PRO HDx A 89 ARG HBy 1.0 . 5.14 2056 1627 A 86 PRO HDy A 89 ARG HBy 1.0 . 5.14 2057 1627 A 89 ARG HBx A 86 PRO HDx 1.0 . 5.14 2058 1627 A 86 PRO HDy A 89 ARG HBx 1.0 . 5.14 2059 1628 A 87 ASP H A 87 ASP HBy 1.0 . 3.47 2060 1628 A 87 ASP H A 87 ASP HBx 1.0 . 3.47 2061 1629 A 87 ASP H A 89 ARG HBy 1.0 . 4.81 2062 1629 A 87 ASP H A 89 ARG HBx 1.0 . 4.81 2063 1630 A 88 ASP H A 87 ASP HBy 1.0 . 4.08 2064 1630 A 88 ASP H A 87 ASP HBx 1.0 . 4.08 2065 1631 A 88 ASP H A 88 ASP HBx 1.0 . 3.30 2066 1631 A 88 ASP H A 88 ASP HBy 1.0 . 3.30 2067 1632 A 88 ASP H A 89 ARG HBy 1.0 . 4.13 2068 1632 A 88 ASP H A 89 ARG HBx 1.0 . 4.13 2069 1633 A 89 ARG H A 88 ASP HBx 1.0 . 3.86 2070 1633 A 89 ARG H A 88 ASP HBy 1.0 . 3.86 2071 1634 A 88 ASP HBy A 89 ARG HGx 1.0 . 5.26 2072 1634 A 88 ASP HBx A 89 ARG HGx 1.0 . 5.26 2073 1634 A 89 ARG HGy A 88 ASP HBx 1.0 . 5.26 2074 1634 A 89 ARG HGy A 88 ASP HBy 1.0 . 5.26 2075 1635 A 89 ARG H A 89 ARG HBy 1.0 . 2.89 2076 1635 A 89 ARG H A 89 ARG HBx 1.0 . 2.89 2077 1636 A 92 LEU H A 92 LEU HDy% 1.0 . 3.43 2078 1636 A 92 LEU H A 92 LEU HDx% 1.0 . 3.43 2079 1637 A 94 LYS HBy A 95 PRO HDy 1.0 . 3.82 2080 1637 A 94 LYS HBx A 95 PRO HDy 1.0 . 3.82 2081 1637 A 95 PRO HDx A 94 LYS HBx 1.0 . 3.82 2082 1637 A 94 LYS HBy A 95 PRO HDx 1.0 . 3.82 2083 1638 A 94 LYS HDy A 95 PRO HDy 1.0 . 4.81 2084 1638 A 94 LYS HDx A 95 PRO HDy 1.0 . 4.81 2085 1638 A 95 PRO HDx A 94 LYS HDx 1.0 . 4.81 2086 1638 A 95 PRO HDx A 94 LYS HDy 1.0 . 4.81 2087 1639 A 96 MET H A 95 PRO HBx 1.0 . 3.95 2088 1639 A 96 MET H A 95 PRO HBy 1.0 . 3.95 2089 1640 A 97 GLU H A 95 PRO HBx 1.0 . 4.73 2090 1640 A 97 GLU H A 95 PRO HBy 1.0 . 4.73 2091 1641 A 96 MET H A 96 MET HBx 1.0 . 3.14 2092 1641 A 96 MET H A 96 MET HBy 1.0 . 3.14 2093 1642 A 97 GLU H A 96 MET HBx 1.0 . 3.67 2094 1642 A 97 GLU H A 96 MET HBy 1.0 . 3.67 2095 1643 A 97 GLU H A 97 GLU HBx 1.0 . 3.19 2096 1643 A 97 GLU H A 97 GLU HBy 1.0 . 3.19 2097 1644 A 98 THR H A 97 GLU HBx 1.0 . 3.83 2098 1644 A 98 THR H A 97 GLU HBy 1.0 . 3.83 2099 1645 A 98 THR H A 99 LEU HDx% 1.0 . 5.44 2100 1645 A 98 THR H A 99 LEU HD21 1.0 . 5.44 2101 1646 A 99 LEU H A 99 LEU HDx% 1.0 . 3.70 2102 1646 A 99 LEU H A 99 LEU HD21 1.0 . 3.70 2103 1647 A 104 ASP H A 104 ASP HBx 1.0 . 3.39 2104 1647 A 104 ASP H A 104 ASP HBy 1.0 . 3.39 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin 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 44 HIS HE1 B 1 HEM HAC 1.0 3.0 5.0 2 2 A 44 HIS HE1 B 1 HEM HMD 1.0 3.0 5.0 stop_ save_