data_nef_c15622_2job 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 34 CYS SG 1 55 CYS SG 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 GLU start . . 2 A 2 ALA middle . . 3 A 3 TYR middle . . 4 A 4 VAL middle . . 5 A 5 GLN middle . . 6 A 6 GLY middle . false 7 A 7 TRP middle . . 8 A 8 GLU middle . . 9 A 9 ALA middle . . 10 A 10 VAL middle . . 11 A 11 ALA middle . . 12 A 12 ALA middle . . 13 A 13 ALA middle . . 14 A 14 VAL middle . . 15 A 15 ALA middle . . 16 A 16 SER middle . . 17 A 17 LYS middle . . 18 A 18 ILE middle . . 19 A 19 VAL middle . . 20 A 20 GLY middle . false 21 A 21 LEU middle . . 22 A 22 TRP middle . . 23 A 23 ARG middle . . 24 A 24 ASN middle . . 25 A 25 GLU middle . . 26 A 26 LYS middle . . 27 A 27 THR middle . . 28 A 28 GLU middle . . 29 A 29 LEU middle . . 30 A 30 LEU middle . . 31 A 31 GLY middle . false 32 A 32 HIS middle . . 33 A 33 GLU middle . . 34 A 34 CYS middle -HG . 35 A 35 LYS middle . . 36 A 36 PHE middle . . 37 A 37 THR middle . . 38 A 38 VAL middle . . 39 A 39 LYS middle . . 40 A 40 PRO middle . false 41 A 41 TYR middle . . 42 A 42 LEU middle . . 43 A 43 LYS middle . . 44 A 44 ARG middle . . 45 A 45 PHE middle . . 46 A 46 GLN middle . . 47 A 47 VAL middle . . 48 A 48 TYR middle . . 49 A 49 TYR middle . . 50 A 50 LYS middle . . 51 A 51 GLY middle . false 52 A 52 ARG middle . . 53 A 53 MET middle . . 54 A 54 TRP middle . . 55 A 55 CYS middle -HG . 56 A 56 PRO middle . false 57 A 57 GLY middle . false 58 A 58 TRP middle . . 59 A 59 THR middle . . 60 A 60 ALA middle . . 61 A 61 ILE middle . . 62 A 62 ARG middle . . 63 A 63 GLY middle . false 64 A 64 GLU middle . . 65 A 65 ALA middle . . 66 A 66 SER middle . . 67 A 67 THR middle . . 68 A 68 ARG middle . . 69 A 69 SER middle . . 70 A 70 GLN middle . . 71 A 71 SER middle . . 72 A 72 GLY middle . false 73 A 73 VAL middle . . 74 A 74 ALA middle . . 75 A 75 GLY middle . false 76 A 76 LYS middle . . 77 A 77 THR middle . . 78 A 78 ALA middle . . 79 A 79 LYS middle . . 80 A 80 ASP middle . . 81 A 81 PHE middle . . 82 A 82 VAL middle . . 83 A 83 ARG middle . . 84 A 84 LYS middle . . 85 A 85 ALA middle . . 86 A 86 PHE middle . . 87 A 87 GLN middle . . 88 A 88 LYS middle . . 89 A 89 GLY middle . false 90 A 90 LEU middle . . 91 A 91 ILE middle . . 92 A 92 SER middle . . 93 A 93 GLN middle . . 94 A 94 GLN middle . . 95 A 95 GLU middle . . 96 A 96 ALA middle . . 97 A 97 ASN middle . . 98 A 98 GLN middle . . 99 A 99 TRP middle . . 100 A 100 LEU middle . . 101 A 101 SER middle . . 102 A 102 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ALA H H 1 7.643 0.001 A 2 ALA HA H 1 4.231 0.001 A 2 ALA HB% H 1 1.180 0.001 A 3 TYR H H 1 7.888 0.001 A 3 TYR HBx H 1 3.185 0.001 A 3 TYR HDx H 1 7.088 0.001 A 3 TYR HEx H 1 6.865 0.001 A 6 GLY H H 1 8.608 0.001 A 6 GLY HAy H 1 4.132 0.001 A 6 GLY HAx H 1 3.962 0.001 A 7 TRP H H 1 7.780 0.001 A 7 TRP HA H 1 4.348 0.001 A 7 TRP HBx H 1 2.997 0.001 A 7 TRP HD1 H 1 7.226 0.001 A 7 TRP HE1 H 1 10.058 0.001 A 7 TRP HE3 H 1 7.037 0.001 A 7 TRP HH2 H 1 7.130 0.001 A 7 TRP HZ2 H 1 7.427 0.001 A 7 TRP HZ3 H 1 6.845 0.001 A 7 TRP N N 15 118.57 0.01 A 7 TRP NE1 N 15 129.67 0.01 A 8 GLU H H 1 8.097 0.001 A 8 GLU HA H 1 3.651 0.001 A 8 GLU HBy H 1 1.816 0.001 A 8 GLU HBx H 1 1.789 0.001 A 8 GLU N N 15 121.23 0.01 A 9 ALA H H 1 7.952 0.001 A 9 ALA HA H 1 4.194 0.001 A 9 ALA HB% H 1 1.490 0.001 A 9 ALA N N 15 121.97 0.01 A 10 VAL H H 1 7.768 0.001 A 10 VAL HA H 1 3.993 0.001 A 10 VAL HB H 1 2.240 0.001 A 10 VAL HGx% H 1 1.150 0.001 A 10 VAL HGy% H 1 1.125 0.001 A 10 VAL N N 15 119.65 0.01 A 11 ALA H H 1 8.575 0.001 A 11 ALA HA H 1 4.002 0.001 A 11 ALA HB% H 1 1.447 0.001 A 11 ALA N N 15 122.60 0.001 A 12 ALA H H 1 8.023 0.001 A 12 ALA HA H 1 4.102 0.001 A 12 ALA HB% H 1 1.593 0.001 A 12 ALA N N 15 119.30 0.01 A 13 ALA H H 1 7.770 0.001 A 13 ALA HA H 1 4.345 0.001 A 13 ALA HB% H 1 1.713 0.001 A 13 ALA N N 15 123.09 0.001 A 14 VAL H H 1 9.003 0.01 A 14 VAL HA H 1 4.047 0.001 A 14 VAL HB H 1 2.548 0.001 A 14 VAL HGx% H 1 1.194 0.001 A 14 VAL HGy% H 1 1.464 0.001 A 14 VAL N N 15 121.16 0.01 A 15 ALA H H 1 8.634 0.001 A 15 ALA HA H 1 4.088 0.001 A 15 ALA HB% H 1 1.574 0.001 A 15 ALA N N 15 120.97 0.01 A 16 SER H H 1 8.050 0.001 A 16 SER HA H 1 4.262 0.001 A 16 SER HBy H 1 4.094 0.001 A 16 SER HBx H 1 4.063 0.001 A 16 SER N N 15 112.07 0.01 A 17 LYS H H 1 7.824 0.001 A 17 LYS HA H 1 4.222 0.001 A 17 LYS HBy H 1 2.179 0.001 A 17 LYS HBx H 1 1.698 0.001 A 17 LYS HDx H 1 1.346 0.001 A 17 LYS HDy H 1 2.318 0.001 A 17 LYS HEy H 1 1.900 0.001 A 17 LYS HEx H 1 0.978 0.001 A 17 LYS HGx H 1 0.026 0.001 A 17 LYS HGy H 1 1.200 0.001 A 17 LYS N N 15 124.51 0.01 A 18 ILE H H 1 8.439 0.001 A 18 ILE HA H 1 3.880 0.001 A 18 ILE HD1% H 1 1.195 0.001 A 18 ILE HG2% H 1 0.850 0.001 A 18 ILE N N 15 119.08 0.01 A 19 VAL H H 1 7.902 0.001 A 19 VAL HA H 1 3.517 0.001 A 19 VAL HB H 1 2.192 0.001 A 19 VAL HGx% H 1 1.087 0.001 A 19 VAL HGy% H 1 0.942 0.001 A 19 VAL N N 15 119.15 0.01 A 20 GLY H H 1 8.171 0.001 A 20 GLY HAx H 1 4.064 0.001 A 20 GLY HAy H 1 4.177 0.001 A 20 GLY N N 15 109.01 0.01 A 21 LEU H H 1 7.563 0.001 A 21 LEU HA H 1 4.428 0.001 A 21 LEU HBy H 1 2.064 0.001 A 21 LEU HBx H 1 1.813 0.001 A 21 LEU HDx% H 1 1.109 0.001 A 21 LEU HDy% H 1 0.927 0.001 A 21 LEU HG H 1 1.921 0.001 A 21 LEU N N 15 120.46 0.01 A 22 TRP H H 1 7.351 0.001 A 22 TRP HA H 1 5.398 0.001 A 22 TRP HBy H 1 3.730 0.001 A 22 TRP HBx H 1 2.688 0.001 A 22 TRP HD1 H 1 7.051 0.001 A 22 TRP HE1 H 1 9.672 0.001 A 22 TRP HE3 H 1 7.490 0.001 A 22 TRP HH2 H 1 7.175 0.001 A 22 TRP HZ2 H 1 7.440 0.001 A 22 TRP HZ3 H 1 7.072 0.001 A 22 TRP N N 15 122.25 0.01 A 22 TRP NE1 N 15 127.52 0.01 A 23 ARG H H 1 9.002 0.001 A 23 ARG HA H 1 4.171 0.001 A 23 ARG HBx H 1 1.790 0.001 A 23 ARG HDy H 1 3.256 0.001 A 23 ARG HDx H 1 3.171 0.001 A 23 ARG HGx H 1 1.593 0.001 A 23 ARG N N 15 129.78 0.01 A 24 ASN H H 1 9.116 0.001 A 24 ASN HA H 1 4.362 0.001 A 24 ASN HBx H 1 2.841 0.001 A 24 ASN HBy H 1 3.038 0.001 A 24 ASN HD2y H 1 7.671 0.001 A 24 ASN HD2x H 1 6.911 0.001 A 24 ASN ND2 N 15 113.32 0.01 A 25 GLU H H 1 8.673 0.001 A 25 GLU HA H 1 4.760 0.001 A 25 GLU HBy H 1 2.461 0.001 A 25 GLU HBx H 1 2.337 0.001 A 25 GLU HGx H 1 2.339 0.001 A 25 GLU N N 15 109.99 0.01 A 26 LYS H H 1 8.257 0.001 A 26 LYS HA H 1 5.485 0.001 A 26 LYS HBx H 1 1.963 0.001 A 26 LYS HBy H 1 2.014 0.001 A 26 LYS HDx H 1 1.691 0.001 A 26 LYS HGx H 1 1.560 0.001 A 26 LYS HGy H 1 1.624 0.001 A 26 LYS N N 15 119.09 0.01 A 27 THR H H 1 8.791 0.001 A 27 THR HA H 1 4.835 0.001 A 27 THR HB H 1 4.081 0.001 A 27 THR HG2% H 1 0.898 0.001 A 27 THR N N 15 115.27 0.01 A 28 GLU H H 1 8.430 0.001 A 28 GLU HA H 1 5.271 0.001 A 28 GLU HBx H 1 1.955 0.001 A 28 GLU HBy H 1 2.090 0.001 A 28 GLU HGx H 1 2.248 0.001 A 28 GLU HGy H 1 2.248 0.001 A 28 GLU N N 15 125.52 0.01 A 29 LEU H H 1 7.785 0.001 A 29 LEU HA H 1 3.984 0.001 A 29 LEU HBx H 1 1.600 0.001 A 29 LEU HBy H 1 1.600 0.001 A 29 LEU HDx% H 1 0.973 0.001 A 29 LEU HDy% H 1 0.856 0.001 A 29 LEU HG H 1 1.150 0.001 A 29 LEU N N 15 118.35 0.01 A 30 LEU H H 1 5.227 0.001 A 30 LEU HA H 1 3.173 0.001 A 30 LEU HBx H 1 1.830 0.001 A 30 LEU HDx% H 1 0.763 0.001 A 30 LEU HDy% H 1 0.987 0.001 A 30 LEU HG H 1 1.210 0.001 A 31 GLY H H 1 8.762 0.001 A 31 GLY HAx H 1 3.484 0.001 A 31 GLY HAy H 1 3.799 0.001 A 31 GLY N N 15 104.31 0.01 A 32 HIS H H 1 7.500 0.001 A 32 HIS HA H 1 4.340 0.001 A 32 HIS HBy H 1 2.794 0.001 A 32 HIS HBx H 1 2.697 0.001 A 32 HIS HD2 H 1 5.770 0.001 A 32 HIS HE1 H 1 7.910 0.001 A 32 HIS N N 15 119.19 0.01 A 33 GLU H H 1 8.750 0.001 A 33 GLU HA H 1 4.479 0.001 A 33 GLU HBx H 1 2.078 0.001 A 33 GLU HGx H 1 2.356 0.001 A 33 GLU N N 15 123.03 0.01 A 34 CYS H H 1 8.530 0.001 A 34 CYS HA H 1 5.144 0.001 A 34 CYS HBx H 1 2.630 0.001 A 34 CYS N N 15 126.34 0.01 A 35 LYS H H 1 8.804 0.001 A 35 LYS HA H 1 4.540 0.001 A 35 LYS HBx H 1 -0.379 0.001 A 35 LYS HBy H 1 0.643 0.001 A 35 LYS HDx H 1 1.577 0.001 A 35 LYS HGx H 1 1.056 0.001 A 35 LYS N N 15 123.36 0.01 A 36 PHE H H 1 7.735 0.001 A 36 PHE HA H 1 5.535 0.001 A 36 PHE HBy H 1 2.802 0.001 A 36 PHE HBx H 1 2.243 0.001 A 36 PHE HDx H 1 6.285 0.001 A 36 PHE HDy H 1 6.285 0.001 A 36 PHE HEx H 1 7.257 0.001 A 36 PHE HEy H 1 7.257 0.001 A 36 PHE HZ H 1 7.389 0.001 A 36 PHE N N 15 124.21 0.01 A 37 THR H H 1 9.268 0.001 A 37 THR HA H 1 5.358 0.001 A 37 THR HB H 1 4.438 0.001 A 37 THR HG2% H 1 1.465 0.001 A 37 THR N N 15 117.57 0.01 A 38 VAL H H 1 8.880 0.001 A 38 VAL HA H 1 5.137 0.001 A 38 VAL HB H 1 2.314 0.001 A 38 VAL HGx% H 1 0.957 0.001 A 38 VAL HGy% H 1 1.087 0.001 A 38 VAL N N 15 121.60 0.01 A 39 LYS H H 1 8.916 0.001 A 39 LYS HA H 1 5.372 0.001 A 39 LYS HBy H 1 2.050 0.001 A 39 LYS HBx H 1 1.879 0.001 A 39 LYS HGx H 1 1.660 0.001 A 39 LYS HGy H 1 1.660 0.001 A 39 LYS N N 15 126.84 0.01 A 40 PRO HA H 1 5.196 0.001 A 40 PRO HBx H 1 1.940 0.001 A 40 PRO HBy H 1 2.062 0.001 A 40 PRO HDy H 1 4.074 0.001 A 40 PRO HDx H 1 3.952 0.001 A 40 PRO HGx H 1 2.208 0.001 A 41 TYR H H 1 9.193 0.001 A 41 TYR HA H 1 4.704 0.001 A 41 TYR HBy H 1 3.010 0.001 A 41 TYR HBx H 1 2.790 0.001 A 41 TYR HDx H 1 6.920 0.001 A 41 TYR HDy H 1 6.920 0.001 A 41 TYR HEx H 1 6.472 0.001 A 41 TYR HEy H 1 6.472 0.001 A 41 TYR N N 15 119.64 0.01 A 42 LEU H H 1 8.293 0.001 A 42 LEU HA H 1 4.940 0.001 A 42 LEU HBy H 1 1.584 0.001 A 42 LEU HBx H 1 1.357 0.001 A 42 LEU HDx% H 1 0.722 0.001 A 42 LEU HDy% H 1 0.825 0.001 A 42 LEU HG H 1 1.478 0.001 A 42 LEU N N 15 120.76 0.01 A 43 LYS H H 1 8.862 0.001 A 43 LYS HA H 1 4.360 0.001 A 43 LYS HBx H 1 1.343 0.001 A 43 LYS HBy H 1 1.608 0.001 A 43 LYS HGx H 1 1.231 0.001 A 43 LYS N N 15 125.07 0.01 A 44 ARG H H 1 9.116 0.001 A 44 ARG HA H 1 3.495 0.001 A 44 ARG HBx H 1 1.890 0.001 A 44 ARG HBy H 1 1.980 0.001 A 44 ARG HDx H 1 3.197 0.001 A 44 ARG HGx H 1 1.533 0.001 A 45 PHE H H 1 8.268 0.001 A 45 PHE HA H 1 4.220 0.001 A 45 PHE HBx H 1 3.313 0.001 A 45 PHE HBy H 1 3.490 0.001 A 45 PHE HDx H 1 7.228 0.001 A 45 PHE HDy H 1 7.228 0.001 A 45 PHE HEx H 1 7.380 0.001 A 45 PHE HEy H 1 7.380 0.001 A 45 PHE HZ H 1 7.340 0.001 A 46 GLN H H 1 7.960 0.001 A 46 GLN HA H 1 4.687 0.001 A 46 GLN HBy H 1 2.205 0.001 A 46 GLN HBx H 1 2.080 0.001 A 46 GLN HGx H 1 2.414 0.001 A 46 GLN N N 15 120.20 0.01 A 47 VAL H H 1 8.390 0.001 A 47 VAL HA H 1 4.181 0.001 A 47 VAL HB H 1 1.844 0.001 A 47 VAL HGx% H 1 0.603 0.001 A 47 VAL HGy% H 1 0.902 0.001 A 47 VAL N N 15 124.23 0.01 A 48 TYR H H 1 8.758 0.001 A 48 TYR HA H 1 4.479 0.001 A 48 TYR HBy H 1 2.467 0.001 A 48 TYR HBx H 1 1.767 0.001 A 48 TYR HDx H 1 6.826 0.001 A 48 TYR HDy H 1 6.826 0.001 A 48 TYR HEx H 1 6.742 0.001 A 48 TYR HEy H 1 6.742 0.001 A 48 TYR N N 15 128.70 0.01 A 49 TYR H H 1 8.833 0.001 A 49 TYR HA H 1 4.966 0.001 A 49 TYR HBx H 1 2.674 0.001 A 49 TYR HBy H 1 2.735 0.001 A 49 TYR HDx H 1 6.771 0.001 A 49 TYR HDy H 1 6.771 0.001 A 49 TYR HEx H 1 6.771 0.001 A 49 TYR HEy H 1 6.771 0.001 A 49 TYR N N 15 115.27 0.01 A 50 LYS H H 1 9.180 0.001 A 50 LYS HA H 1 5.481 0.001 A 50 LYS HBy H 1 1.967 0.001 A 50 LYS HBx H 1 1.777 0.001 A 50 LYS HDx H 1 1.421 0.001 A 50 LYS HDy H 1 1.421 0.001 A 50 LYS HGx H 1 1.337 0.001 A 50 LYS HGy H 1 1.337 0.001 A 50 LYS N N 15 122.17 0.01 A 51 GLY H H 1 9.472 0.001 A 51 GLY HAx H 1 3.938 0.001 A 51 GLY HAy H 1 5.549 0.001 A 51 GLY N N 15 117.98 0.001 A 52 ARG H H 1 8.857 0.001 A 52 ARG HA H 1 5.265 0.001 A 52 ARG HBy H 1 1.928 0.001 A 52 ARG HBx H 1 1.783 0.001 A 52 ARG HDy H 1 2.981 0.001 A 52 ARG HDx H 1 2.889 0.001 A 52 ARG HGx H 1 1.593 0.001 A 52 ARG HGy H 1 1.603 0.001 A 52 ARG N N 15 123.15 0.01 A 53 MET H H 1 8.853 0.001 A 53 MET HA H 1 5.593 0.001 A 53 MET HBy H 1 2.355 0.001 A 53 MET HBx H 1 1.567 0.001 A 53 MET HGy H 1 1.362 0.001 A 53 MET HGx H 1 1.275 0.001 A 53 MET N N 15 121.71 0.01 A 54 TRP H H 1 9.073 0.001 A 54 TRP HA H 1 5.177 0.001 A 54 TRP HBy H 1 3.618 0.001 A 54 TRP HBx H 1 3.452 0.001 A 54 TRP HD1 H 1 7.254 0.001 A 54 TRP HE1 H 1 10.473 0.001 A 54 TRP HE3 H 1 7.220 0.001 A 54 TRP HH2 H 1 7.242 0.001 A 54 TRP HZ2 H 1 7.522 0.001 A 54 TRP HZ3 H 1 7.095 0.001 A 54 TRP N N 15 128.28 0.01 A 54 TRP NE1 N 15 129.30 0.01 A 55 CYS H H 1 10.480 0.001 A 55 CYS HA H 1 5.234 0.001 A 55 CYS HBx H 1 3.440 0.001 A 55 CYS N N 15 122.09 0.01 A 56 PRO HA H 1 4.623 0.001 A 56 PRO HBy H 1 2.573 0.001 A 56 PRO HBx H 1 2.170 0.001 A 56 PRO HDy H 1 3.851 0.001 A 56 PRO HDx H 1 3.659 0.001 A 56 PRO HGy H 1 2.233 0.001 A 56 PRO HGx H 1 2.149 0.001 A 57 GLY H H 1 9.054 0.001 A 57 GLY HAy H 1 4.512 0.001 A 57 GLY HAx H 1 3.829 0.001 A 58 TRP H H 1 7.940 0.001 A 58 TRP HA H 1 5.147 0.001 A 58 TRP HBx H 1 2.820 0.001 A 58 TRP HBy H 1 3.185 0.001 A 58 TRP HD1 H 1 7.180 0.001 A 58 TRP HE1 H 1 10.199 0.001 A 58 TRP HE3 H 1 7.111 0.001 A 58 TRP HH2 H 1 6.616 0.001 A 58 TRP HZ2 H 1 7.221 0.001 A 58 TRP HZ3 H 1 6.783 0.001 A 58 TRP N N 15 120.96 0.01 A 58 TRP NE1 N 15 130.02 0.01 A 59 THR H H 1 7.412 0.001 A 59 THR HA H 1 4.540 0.001 A 59 THR HB H 1 3.361 0.001 A 59 THR HG2% H 1 0.693 0.001 A 59 THR N N 15 109.19 0.01 A 60 ALA H H 1 8.524 0.001 A 60 ALA HA H 1 4.522 0.001 A 60 ALA HB% H 1 1.440 0.001 A 61 ILE H H 1 7.858 0.001 A 61 ILE HA H 1 3.644 0.001 A 61 ILE HB H 1 1.197 0.001 A 61 ILE HD1% H 1 0.795 0.001 A 61 ILE HG1x H 1 1.279 0.001 A 61 ILE HG1y H 1 1.279 0.001 A 61 ILE HG2% H 1 0.253 0.001 A 61 ILE N N 15 121.87 0.01 A 62 ARG H H 1 8.208 0.001 A 62 ARG HA H 1 5.460 0.001 A 62 ARG HBy H 1 1.893 0.001 A 62 ARG HBx H 1 1.751 0.001 A 62 ARG HGy H 1 1.748 0.001 A 62 ARG HGx H 1 1.630 0.001 A 62 ARG N N 15 124.13 0.01 A 63 GLY H H 1 9.657 0.001 A 63 GLY HAx H 1 3.473 0.001 A 63 GLY HAy H 1 5.174 0.001 A 63 GLY N N 15 109.86 0.01 A 64 GLU H H 1 9.770 0.001 A 64 GLU HA H 1 5.316 0.001 A 64 GLU HBx H 1 1.972 0.001 A 64 GLU HGx H 1 2.202 0.001 A 64 GLU N N 15 124.78 0.01 A 65 ALA H H 1 8.113 0.001 A 65 ALA HA H 1 4.610 0.001 A 65 ALA HB% H 1 1.350 0.001 A 65 ALA N N 15 122.11 0.001 A 66 SER H H 1 8.465 0.001 A 66 SER HA H 1 6.037 0.001 A 66 SER HBx H 1 3.905 0.001 A 66 SER HBy H 1 3.905 0.001 A 66 SER N N 15 113.98 0.01 A 67 THR H H 1 8.862 0.001 A 67 THR HA H 1 5.063 0.001 A 67 THR HB H 1 4.731 0.001 A 67 THR HG2% H 1 1.228 0.001 A 67 THR N N 15 117.29 0.01 A 68 ARG H H 1 8.675 0.001 A 68 ARG HA H 1 4.259 0.001 A 68 ARG N N 15 119.41 0.01 A 69 SER H H 1 8.060 0.001 A 69 SER HA H 1 4.695 0.001 A 69 SER HBx H 1 3.874 0.001 A 69 SER HBy H 1 3.960 0.001 A 70 GLN H H 1 8.740 0.001 A 70 GLN HA H 1 3.033 0.001 A 71 SER H H 1 8.195 0.001 A 71 SER HBx H 1 3.910 0.001 A 72 GLY H H 1 8.203 0.001 A 72 GLY HAx H 1 3.977 0.001 A 72 GLY HAy H 1 4.257 0.001 A 73 VAL H H 1 7.594 0.001 A 73 VAL HA H 1 3.803 0.001 A 73 VAL HB H 1 2.410 0.001 A 73 VAL HGx% H 1 1.042 0.001 A 73 VAL HGy% H 1 1.016 0.001 A 73 VAL N N 15 120.89 0.001 A 74 ALA H H 1 8.509 0.001 A 74 ALA HA H 1 3.943 0.001 A 74 ALA HB% H 1 1.424 0.001 A 74 ALA N N 15 129.25 0.01 A 75 GLY H H 1 8.561 0.001 A 75 GLY HAx H 1 3.741 0.001 A 75 GLY HAy H 1 4.017 0.001 A 75 GLY N N 15 105.81 0.01 A 76 LYS H H 1 7.704 0.001 A 76 LYS HA H 1 4.008 0.001 A 76 LYS HBy H 1 1.816 0.001 A 76 LYS HBx H 1 1.760 0.001 A 76 LYS HGy H 1 1.678 0.001 A 76 LYS HGx H 1 1.543 0.001 A 76 LYS N N 15 120.19 0.01 A 77 THR H H 1 8.172 0.001 A 77 THR HA H 1 4.336 0.001 A 77 THR HB H 1 3.407 0.001 A 77 THR HG2% H 1 0.485 0.001 A 77 THR N N 15 119.79 0.01 A 78 ALA H H 1 8.113 0.001 A 78 ALA HA H 1 4.185 0.001 A 78 ALA HB% H 1 1.552 0.001 A 78 ALA N N 15 122.96 0.01 A 79 LYS H H 1 8.344 0.001 A 79 LYS HA H 1 3.830 0.001 A 79 LYS HBx H 1 1.916 0.001 A 79 LYS HBy H 1 1.916 0.001 A 79 LYS HDx H 1 1.729 0.001 A 79 LYS HDy H 1 1.729 0.001 A 79 LYS HGx H 1 1.428 0.001 A 79 LYS HGy H 1 1.428 0.001 A 79 LYS N N 15 116.41 0.01 A 80 ASP H H 1 7.733 0.001 A 80 ASP HA H 1 4.514 0.001 A 80 ASP HBx H 1 2.919 0.001 A 80 ASP HBy H 1 2.983 0.001 A 80 ASP N N 15 119.36 0.01 A 81 PHE H H 1 7.828 0.001 A 81 PHE HA H 1 3.527 0.001 A 81 PHE HBy H 1 3.442 0.001 A 81 PHE HBx H 1 2.768 0.001 A 81 PHE HDx H 1 6.732 0.001 A 81 PHE HDy H 1 6.732 0.001 A 81 PHE HEx H 1 6.912 0.001 A 81 PHE HEy H 1 6.912 0.001 A 81 PHE HZ H 1 6.587 0.001 A 81 PHE N N 15 116.75 0.01 A 82 VAL H H 1 8.486 0.001 A 82 VAL HA H 1 3.276 0.001 A 82 VAL HB H 1 2.187 0.001 A 82 VAL HGx% H 1 1.073 0.001 A 82 VAL HGy% H 1 1.161 0.001 A 82 VAL N N 15 116.80 0.01 A 83 ARG H H 1 8.720 0.001 A 83 ARG HA H 1 4.003 0.001 A 83 ARG HBy H 1 2.081 0.001 A 83 ARG HBx H 1 1.947 0.001 A 83 ARG HGx H 1 1.673 0.001 A 83 ARG N N 15 118.58 0.01 A 84 LYS H H 1 7.404 0.001 A 84 LYS HA H 1 3.909 0.001 A 84 LYS HBx H 1 1.615 0.001 A 84 LYS HBy H 1 1.615 0.001 A 84 LYS HDx H 1 1.493 0.001 A 84 LYS HDy H 1 1.493 0.001 A 84 LYS HGx H 1 1.345 0.001 A 84 LYS HGy H 1 1.345 0.001 A 84 LYS N N 15 118.76 0.01 A 85 ALA H H 1 8.483 0.001 A 85 ALA HA H 1 3.542 0.001 A 85 ALA HB% H 1 0.990 0.001 A 85 ALA N N 15 121.51 0.01 A 86 PHE H H 1 8.529 0.001 A 86 PHE HA H 1 4.330 0.001 A 86 PHE HBy H 1 2.578 0.001 A 86 PHE HBx H 1 2.101 0.001 A 86 PHE HDx H 1 7.098 0.001 A 86 PHE HDy H 1 7.098 0.001 A 86 PHE HEx H 1 6.921 0.001 A 86 PHE HEy H 1 6.921 0.001 A 86 PHE HZ H 1 6.880 0.001 A 86 PHE N N 15 118.07 0.01 A 87 GLN H H 1 8.254 0.001 A 87 GLN HA H 1 3.987 0.001 A 87 GLN HBx H 1 2.121 0.001 A 87 GLN HBy H 1 2.294 0.001 A 87 GLN HGy H 1 2.666 0.001 A 87 GLN HGx H 1 2.450 0.001 A 87 GLN N N 15 120.89 0.01 A 88 LYS H H 1 7.946 0.001 A 88 LYS HA H 1 4.320 0.001 A 88 LYS HBx H 1 1.650 0.001 A 88 LYS HBy H 1 1.906 0.001 A 88 LYS HGy H 1 1.481 0.001 A 88 LYS HGx H 1 1.347 0.001 A 88 LYS N N 15 115.29 0.01 A 89 GLY H H 1 7.563 0.001 A 89 GLY HAx H 1 3.819 0.001 A 89 GLY HAy H 1 4.057 0.001 A 89 GLY N N 15 107.58 0.01 A 90 LEU H H 1 8.063 0.001 A 90 LEU HA H 1 4.081 0.001 A 90 LEU HBx H 1 1.152 0.001 A 90 LEU HBy H 1 1.389 0.001 A 90 LEU HDx% H 1 0.339 0.001 A 90 LEU HDy% H 1 -0.097 0.001 A 90 LEU HG H 1 1.233 0.001 A 90 LEU N N 15 120.80 0.01 A 91 ILE H H 1 6.525 0.001 A 91 ILE HA H 1 4.600 0.001 A 91 ILE HB H 1 1.227 0.001 A 91 ILE HD1% H 1 0.593 0.001 A 91 ILE HG1x H 1 1.094 0.001 A 91 ILE HG1y H 1 1.094 0.001 A 91 ILE HG2% H 1 0.783 0.001 A 91 ILE N N 15 109.80 0.01 A 92 SER H H 1 8.822 0.001 A 92 SER HA H 1 4.874 0.001 A 92 SER HBx H 1 4.044 0.001 A 92 SER HBy H 1 4.457 0.001 A 92 SER N N 15 120.24 0.01 A 93 GLN H H 1 9.324 0.001 A 93 GLN HA H 1 4.020 0.001 A 93 GLN HBx H 1 2.190 0.001 A 93 GLN HGx H 1 2.380 0.001 A 93 GLN N N 15 121.83 0.01 A 94 GLN H H 1 8.740 0.001 A 94 GLN HA H 1 4.236 0.001 A 94 GLN HBx H 1 2.520 0.001 A 95 GLU H H 1 7.953 0.001 A 95 GLU HA H 1 4.158 0.001 A 95 GLU HBx H 1 2.084 0.001 A 95 GLU HBy H 1 2.198 0.001 A 95 GLU HGx H 1 2.342 0.001 A 95 GLU HGy H 1 2.404 0.001 A 95 GLU N N 15 120.11 0.01 A 96 ALA H H 1 8.406 0.001 A 96 ALA HA H 1 4.160 0.001 A 96 ALA HB% H 1 1.672 0.001 A 96 ALA N N 15 122.16 0.01 A 97 ASN H H 1 8.559 0.001 A 97 ASN HA H 1 4.561 0.001 A 97 ASN HBy H 1 2.973 0.001 A 97 ASN HBx H 1 2.856 0.001 A 97 ASN N N 15 115.72 0.01 A 98 GLN H H 1 8.096 0.001 A 98 GLN HA H 1 4.161 0.001 A 98 GLN HBx H 1 2.288 0.001 A 98 GLN HBy H 1 2.321 0.001 A 98 GLN HE2y H 1 7.527 0.001 A 98 GLN HE2x H 1 6.924 0.001 A 98 GLN HGy H 1 2.588 0.001 A 98 GLN HGx H 1 2.483 0.001 A 98 GLN N N 15 119.99 0.01 A 98 GLN NE2 N 15 112.36 0.01 A 99 TRP H H 1 8.261 0.001 A 99 TRP HA H 1 4.440 0.001 A 99 TRP HBx H 1 3.431 0.001 A 99 TRP HBy H 1 3.542 0.001 A 99 TRP HD1 H 1 7.582 0.001 A 99 TRP HE1 H 1 11.328 0.001 A 99 TRP HE3 H 1 7.507 0.001 A 99 TRP HH2 H 1 7.262 0.001 A 99 TRP HZ2 H 1 7.675 0.001 A 99 TRP HZ3 H 1 7.454 0.001 A 99 TRP N N 15 122.15 0.01 A 99 TRP NE1 N 15 132.92 0.01 A 100 LEU H H 1 8.367 0.001 A 100 LEU HA H 1 3.751 0.001 A 100 LEU HBx H 1 2.101 0.001 A 100 LEU HBy H 1 2.172 0.001 A 100 LEU HDx% H 1 1.071 0.001 A 100 LEU HDy% H 1 0.909 0.001 A 100 LEU HG H 1 1.633 0.001 A 100 LEU N N 15 118.16 0.01 A 101 SER H H 1 7.462 0.001 A 101 SER HA H 1 4.483 0.001 A 101 SER HBy H 1 4.031 0.001 A 101 SER HBx H 1 4.010 0.001 A 101 SER N N 15 113.49 0.001 A 102 SER H H 1 7.373 0.001 A 102 SER HA H 1 4.271 0.001 A 102 SER HBx H 1 3.888 0.001 A 102 SER HBy H 1 3.888 0.001 A 102 SER N N 15 122.70 0.01 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 6 GLY HAx A 6 GLY H 1.0 2.1 2.9 2 2 A 6 GLY H A 6 GLY HAy 1.0 2.0 2.8 3 3 A 6 GLY HAx A 7 TRP H 1.0 2.0 3.4 4 4 A 6 GLY HAy A 7 TRP H 1.0 2.0 3.6 5 5 A 6 GLY H A 7 TRP H 1.0 2.2 3.2 6 6 A 7 TRP H A 7 TRP HA 1.0 1.8 2.8 7 7 A 7 TRP H A 7 TRP HBy 1.0 2.0 3.6 8 8 A 7 TRP H A 7 TRP HBx 1.0 2.0 3.6 9 9 A 7 TRP HA A 8 GLU H 1.0 2.0 3.6 10 10 A 7 TRP HBy A 8 GLU H 1.0 1.8 4.4 11 11 A 7 TRP HBx A 8 GLU H 1.0 1.8 4.4 12 12 A 7 TRP H A 8 GLU H 1.0 2.0 2.8 13 13 A 8 GLU H A 8 GLU HA 1.0 2.0 2.8 14 14 A 8 GLU H A 8 GLU HBx 1.0 2.0 3.4 15 15 A 8 GLU H A 8 GLU HBy 1.0 2.0 3.4 16 16 A 6 GLY HAy A 8 GLU H 1.0 2.0 4.8 17 17 A 6 GLY H A 8 GLU H 1.0 2.0 4.6 18 18 A 8 GLU HA A 9 ALA H 1.0 2.0 3.5 19 19 A 8 GLU H A 9 ALA H 1.0 2.0 2.8 20 20 A 9 ALA H A 8 GLU HBx 1.0 2.0 5.4 21 20 A 9 ALA H A 8 GLU HBy 1.0 2.0 5.4 22 21 A 9 ALA H A 9 ALA HA 1.0 1.8 2.7 23 22 A 9 ALA H A 9 ALA HB% 1.0 1.8 4.4 24 23 A 7 TRP HA A 9 ALA H 1.0 1.6 4.4 25 24 A 7 TRP H A 9 ALA H 1.0 1.4 4.2 26 25 A 6 GLY HAy A 9 ALA H 1.0 2.0 4.0 27 26 A 9 ALA HA A 10 VAL H 1.0 2.0 3.5 28 27 A 9 ALA HB% A 10 VAL H 1.0 2.0 4.8 29 28 A 9 ALA H A 10 VAL H 1.0 2.0 2.8 30 29 A 10 VAL H A 10 VAL HA 1.0 2.0 2.7 31 30 A 10 VAL H A 10 VAL HB 1.0 2.0 2.8 32 31 A 10 VAL H A 10 VAL HGx% 1.0 2.0 5.4 33 32 A 10 VAL H A 10 VAL HGy% 1.0 2.0 4.4 34 33 A 7 TRP HA A 10 VAL H 1.0 2.0 3.4 35 34 A 8 GLU HA A 10 VAL H 1.0 2.0 4.4 36 35 A 8 GLU H A 10 VAL H 1.0 2.0 4.2 37 36 A 10 VAL HA A 11 ALA H 1.0 2.0 3.5 38 37 A 10 VAL H A 11 ALA H 1.0 2.0 2.8 39 38 A 10 VAL HB A 11 ALA H 1.0 2.0 2.8 40 39 A 10 VAL HGx% A 11 ALA H 1.0 2.0 5.0 41 40 A 10 VAL HGy% A 11 ALA H 1.0 2.0 5.8 42 41 A 11 ALA H A 11 ALA HA 1.0 2.0 2.7 43 42 A 11 ALA H A 11 ALA HB% 1.0 2.0 5.0 44 43 A 7 TRP HA A 11 ALA H 1.0 2.0 4.2 45 44 A 8 GLU HA A 11 ALA H 1.0 2.0 3.4 46 45 A 9 ALA HA A 11 ALA H 1.0 2.0 4.4 47 46 A 9 ALA H A 11 ALA H 1.0 2.0 4.2 48 47 A 11 ALA HA A 12 ALA H 1.0 2.0 3.6 49 48 A 11 ALA H A 12 ALA H 1.0 2.0 2.8 50 49 A 11 ALA HB% A 12 ALA H 1.0 2.0 5.0 51 50 A 12 ALA H A 12 ALA HA 1.0 2.0 2.7 52 51 A 12 ALA H A 12 ALA HB% 1.0 2.0 5.0 53 52 A 8 GLU HA A 12 ALA H 1.0 2.0 4.2 54 53 A 9 ALA HA A 12 ALA H 1.0 2.0 3.4 55 54 A 10 VAL HA A 12 ALA H 1.0 2.0 4.4 56 55 A 10 VAL H A 12 ALA H 1.0 2.0 4.2 57 56 A 12 ALA HA A 13 ALA H 1.0 2.0 3.6 58 57 A 12 ALA H A 13 ALA H 1.0 2.0 2.8 59 58 A 12 ALA HB% A 13 ALA H 1.0 2.0 5.0 60 59 A 13 ALA H A 13 ALA HA 1.0 2.0 2.7 61 60 A 13 ALA H A 13 ALA HB% 1.0 2.0 5.0 62 61 A 9 ALA HA A 13 ALA H 1.0 2.0 4.2 63 62 A 10 VAL HA A 13 ALA H 1.0 2.0 3.4 64 63 A 11 ALA HA A 13 ALA H 1.0 2.0 4.4 65 64 A 11 ALA H A 13 ALA H 1.0 2.0 4.2 66 65 A 13 ALA HA A 14 VAL H 1.0 2.0 3.6 67 66 A 13 ALA H A 14 VAL H 1.0 2.0 2.8 68 67 A 13 ALA HB% A 14 VAL H 1.0 2.0 5.0 69 68 A 14 VAL H A 14 VAL HA 1.0 2.0 2.7 70 69 A 14 VAL H A 14 VAL HB 1.0 2.0 2.6 71 70 A 14 VAL H A 14 VAL HGx% 1.0 2.0 5.8 72 71 A 14 VAL H A 14 VAL HGy% 1.0 2.0 4.4 73 72 A 14 VAL H A 100 LEU HDx% 1.0 2.4 5.4 74 73 A 14 VAL H A 100 LEU HDy% 1.0 2.6 6.0 75 74 A 14 VAL HB A 82 VAL HGx% 1.0 3.2 5.4 76 75 A 14 VAL HB A 82 VAL HGy% 1.0 3.0 6.8 77 76 A 14 VAL HGy% A 96 ALA HB% 1.0 2.2 6.2 78 77 A 10 VAL HA A 14 VAL H 1.0 2.0 4.2 79 78 A 11 ALA HA A 14 VAL H 1.0 2.0 3.4 80 79 A 12 ALA HA A 14 VAL H 1.0 2.0 4.4 81 80 A 12 ALA H A 14 VAL H 1.0 2.0 4.2 82 81 A 14 VAL HA A 15 ALA H 1.0 2.0 3.6 83 82 A 14 VAL H A 15 ALA H 1.0 2.0 2.8 84 83 A 14 VAL HB A 15 ALA H 1.0 2.0 3.0 85 84 A 14 VAL HGx% A 15 ALA H 1.0 1.4 4.8 86 85 A 14 VAL HGy% A 15 ALA H 1.0 1.0 5.8 87 86 A 15 ALA H A 15 ALA HA 1.0 2.0 2.7 88 87 A 15 ALA H A 15 ALA HB% 1.0 2.0 4.8 89 88 A 15 ALA H A 82 VAL HB 1.0 2.0 5.0 90 89 A 82 VAL HGx% A 15 ALA H 1.0 2.4 6.0 91 90 A 82 VAL HGy% A 15 ALA H 1.0 2.8 5.4 92 91 A 82 VAL HGy% A 15 ALA HA 1.0 3.2 5.4 93 92 A 11 ALA HA A 15 ALA H 1.0 2.0 4.2 94 93 A 12 ALA HA A 15 ALA H 1.0 2.0 3.4 95 94 A 13 ALA HA A 15 ALA H 1.0 2.0 4.4 96 95 A 13 ALA H A 15 ALA H 1.0 2.0 4.2 97 96 A 15 ALA HA A 16 SER H 1.0 2.0 3.6 98 97 A 15 ALA H A 16 SER H 1.0 2.0 2.8 99 98 A 15 ALA HB% A 16 SER H 1.0 2.0 5.0 100 99 A 16 SER H A 16 SER HA 1.0 2.0 2.7 101 100 A 16 SER H A 16 SER HBx 1.0 2.0 4.4 102 101 A 16 SER H A 16 SER HBy 1.0 2.0 4.4 103 102 A 12 ALA HA A 16 SER H 1.0 2.0 4.2 104 103 A 13 ALA HA A 16 SER H 1.0 2.0 3.4 105 104 A 14 VAL HA A 16 SER H 1.0 2.0 4.4 106 105 A 14 VAL H A 16 SER H 1.0 2.0 4.2 107 106 A 16 SER HA A 17 LYS H 1.0 2.0 3.6 108 107 A 16 SER H A 17 LYS H 1.0 2.0 2.8 109 108 A 17 LYS H A 16 SER HBx 1.0 2.6 5.4 110 108 A 17 LYS H A 16 SER HBy 1.0 2.6 5.4 111 109 A 17 LYS H A 17 LYS HA 1.0 2.0 2.7 112 110 A 17 LYS H A 17 LYS HBx 1.0 2.0 3.0 113 111 A 17 LYS H A 17 LYS HBy 1.0 1.6 3.0 114 112 A 13 ALA HA A 17 LYS H 1.0 2.0 4.2 115 113 A 14 VAL HA A 17 LYS H 1.0 2.0 3.4 116 114 A 15 ALA HA A 17 LYS H 1.0 2.0 4.4 117 115 A 15 ALA H A 17 LYS H 1.0 2.0 4.2 118 116 A 17 LYS HA A 18 ILE H 1.0 2.0 3.6 119 117 A 17 LYS H A 18 ILE H 1.0 2.0 2.8 120 118 A 18 ILE H A 17 LYS HBx 1.0 2.6 5.4 121 118 A 18 ILE H A 17 LYS HBy 1.0 2.6 5.4 122 119 A 18 ILE H A 18 ILE HA 1.0 2.0 2.7 123 120 A 18 ILE H A 18 ILE HG1y 1.0 2.0 3.6 124 121 A 18 ILE H A 18 ILE HG1x 1.0 2.0 3.6 125 122 A 18 ILE H A 18 ILE HB 1.0 2.0 2.6 126 123 A 18 ILE H A 18 ILE HG2% 1.0 2.0 5.0 127 124 A 14 VAL HA A 18 ILE H 1.0 2.2 4.4 128 125 A 15 ALA HA A 18 ILE H 1.0 2.0 3.4 129 126 A 16 SER HA A 18 ILE H 1.0 2.0 4.4 130 127 A 16 SER H A 18 ILE H 1.0 2.0 4.2 131 128 A 18 ILE HA A 19 VAL H 1.0 2.0 3.6 132 129 A 18 ILE H A 19 VAL H 1.0 2.0 2.8 133 130 A 18 ILE HB A 19 VAL H 1.0 2.0 2.8 134 131 A 18 ILE HG2% A 19 VAL H 1.0 2.0 5.4 135 132 A 19 VAL H A 19 VAL HA 1.0 2.0 2.7 136 133 A 19 VAL H A 19 VAL HB 1.0 1.0 2.6 137 134 A 19 VAL H A 19 VAL HGy% 1.0 3.2 4.8 138 135 A 19 VAL H A 19 VAL HGx% 1.0 4.2 5.8 139 136 A 15 ALA HA A 19 VAL H 1.0 2.4 4.6 140 137 A 16 SER HA A 19 VAL H 1.0 2.2 3.6 141 138 A 17 LYS HA A 19 VAL H 1.0 2.2 4.6 142 139 A 17 LYS H A 19 VAL H 1.0 2.2 4.4 143 140 A 19 VAL HA A 20 GLY H 1.0 2.0 3.6 144 141 A 19 VAL H A 20 GLY H 1.0 2.0 2.8 145 142 A 19 VAL HB A 20 GLY H 1.0 0.8 2.6 146 143 A 19 VAL HGx% A 20 GLY H 1.0 2.0 5.4 147 144 A 19 VAL HGy% A 20 GLY H 1.0 2.0 6.4 148 145 A 20 GLY H A 20 GLY HAy 1.0 2.0 2.6 149 146 A 20 GLY H A 20 GLY HAx 1.0 2.2 3.0 150 147 A 16 SER HA A 20 GLY H 1.0 2.2 4.4 151 148 A 17 LYS HA A 20 GLY H 1.0 2.4 3.8 152 149 A 18 ILE HA A 20 GLY H 1.0 2.2 4.6 153 150 A 18 ILE H A 20 GLY H 1.0 2.4 4.6 154 151 A 20 GLY HAy A 21 LEU H 1.0 2.0 3.2 155 152 A 20 GLY HAx A 21 LEU H 1.0 2.0 3.6 156 153 A 20 GLY H A 21 LEU H 1.0 2.0 2.8 157 154 A 21 LEU H A 21 LEU HA 1.0 2.0 2.8 158 155 A 21 LEU H A 21 LEU HBx 1.0 2.0 2.8 159 156 A 21 LEU H A 21 LEU HBy 1.0 2.0 2.8 160 157 A 21 LEU H A 21 LEU HG 1.0 2.0 4.8 161 158 A 21 LEU H A 21 LEU HDx% 1.0 3.0 6.4 162 159 A 21 LEU H A 21 LEU HDy% 1.0 1.6 6.4 163 160 A 21 LEU HA A 22 TRP H 1.0 2.0 3.6 164 161 A 21 LEU H A 22 TRP H 1.0 2.0 2.8 165 162 A 21 LEU HBx A 22 TRP H 1.0 3.0 4.4 166 163 A 21 LEU HBy A 22 TRP H 1.0 3.0 4.4 167 164 A 21 LEU HDx% A 22 TRP H 1.0 2.6 7.4 168 165 A 21 LEU HDy% A 22 TRP H 1.0 2.6 7.4 169 166 A 22 TRP H A 22 TRP HA 1.0 2.0 2.8 170 167 A 22 TRP H A 22 TRP HBx 1.0 2.0 2.8 171 168 A 22 TRP H A 22 TRP HBy 1.0 2.0 2.8 172 169 A 20 GLY H A 22 TRP H 1.0 4.4 4.8 173 170 A 20 GLY HAx A 22 TRP H 1.0 4.2 4.6 174 171 A 19 VAL HA A 22 TRP H 1.0 3.4 3.8 175 172 A 22 TRP HA A 23 ARG H 1.0 2.0 2.4 176 173 A 22 TRP H A 23 ARG H 1.0 2.0 4.6 177 174 A 22 TRP HBx A 23 ARG H 1.0 2.6 5.0 178 175 A 22 TRP HBy A 23 ARG H 1.0 2.6 5.0 179 176 A 23 ARG H A 22 TRP HD1 1.0 2.2 2.6 180 177 A 23 ARG H A 22 TRP HE1 1.0 4.0 5.0 181 178 A 23 ARG H A 23 ARG HA 1.0 2.0 2.9 182 179 A 23 ARG H A 23 ARG HBy 1.0 2.0 4.0 183 180 A 23 ARG H A 23 ARG HBx 1.0 2.0 4.0 184 181 A 23 ARG H A 23 ARG HGx 1.0 2.0 5.8 185 182 A 23 ARG H A 26 LYS H 1.0 2.6 2.8 186 183 A 23 ARG H A 26 LYS O 1.0 2.0 2.2 187 184 A 23 ARG H A 25 GLU H 1.0 4.0 4.8 188 185 A 23 ARG H A 27 THR HA 1.0 3.6 4.0 189 186 A 23 ARG H A 27 THR HB 1.0 2.0 4.4 190 187 A 23 ARG HA A 24 ASN H 1.0 2.2 2.6 191 188 A 23 ARG H A 24 ASN H 1.0 2.0 4.6 192 189 A 23 ARG HBy A 24 ASN H 1.0 2.8 4.8 193 190 A 23 ARG HBx A 24 ASN H 1.0 2.8 4.8 194 191 A 24 ASN H A 24 ASN HA 1.0 2.0 2.8 195 192 A 24 ASN H A 24 ASN HBy 1.0 2.0 3.6 196 193 A 24 ASN H A 24 ASN HBx 1.0 2.0 3.6 197 194 A 25 GLU H A 24 ASN HA 1.0 2.0 3.6 198 195 A 25 GLU H A 24 ASN H 1.0 2.2 2.8 199 196 A 25 GLU H A 24 ASN HBy 1.0 2.0 3.4 200 197 A 25 GLU H A 24 ASN HBx 1.0 2.0 3.4 201 198 A 25 GLU H A 25 GLU HA 1.0 2.0 2.9 202 199 A 25 GLU H A 25 GLU HBx 1.0 2.0 3.6 203 200 A 25 GLU H A 25 GLU HBy 1.0 2.4 4.0 204 201 A 22 TRP HE1 A 25 GLU H 1.0 3.0 4.0 205 202 A 22 TRP HE1 A 25 GLU HA 1.0 2.2 2.8 206 203 A 26 LYS H A 25 GLU HA 1.0 2.0 2.8 207 204 A 26 LYS H A 25 GLU H 1.0 1.8 3.2 208 205 A 26 LYS H A 25 GLU HBx 1.0 2.0 4.8 209 206 A 26 LYS H A 25 GLU HBy 1.0 2.0 4.8 210 207 A 26 LYS H A 26 LYS HA 1.0 2.0 2.9 211 208 A 26 LYS H A 26 LYS HBy 1.0 2.0 2.8 212 209 A 26 LYS H A 26 LYS HBx 1.0 2.0 3.0 213 210 A 22 TRP HD1 A 26 LYS H 1.0 2.6 3.6 214 211 A 26 LYS H A 24 ASN HBy 1.0 4.4 5.2 215 212 A 26 LYS H A 24 ASN HBx 1.0 2.0 4.8 216 213 A 26 LYS HA A 27 THR H 1.0 2.0 2.4 217 214 A 26 LYS H A 27 THR H 1.0 2.0 4.6 218 215 A 26 LYS HBy A 27 THR H 1.0 2.0 4.8 219 216 A 26 LYS HBx A 27 THR H 1.0 2.0 4.8 220 217 A 27 THR HA A 27 THR H 1.0 2.0 2.9 221 218 A 27 THR HB A 27 THR H 1.0 2.0 3.6 222 219 A 27 THR H A 27 THR HG2% 1.0 2.0 5.8 223 220 A 27 THR H A 35 LYS HA 1.0 2.0 4.0 224 221 A 27 THR H A 34 CYS H 1.0 2.8 3.2 225 222 A 27 THR HA A 28 GLU H 1.0 2.0 2.4 226 223 A 27 THR H A 28 GLU H 1.0 2.0 4.6 227 224 A 27 THR HB A 28 GLU H 1.0 2.0 4.0 228 225 A 27 THR HG2% A 28 GLU H 1.0 2.0 5.8 229 226 A 28 GLU H A 28 GLU HA 1.0 2.0 2.9 230 227 A 28 GLU H A 28 GLU HBx 1.0 2.0 4.6 231 227 A 28 GLU H A 28 GLU HBy 1.0 2.0 4.6 232 228 A 28 GLU H A 28 GLU HGx 1.0 2.0 5.8 233 228 A 28 GLU H A 28 GLU HGy 1.0 2.0 5.8 234 229 A 28 GLU HA A 29 LEU H 1.0 2.2 2.4 235 230 A 28 GLU H A 29 LEU H 1.0 2.0 4.6 236 231 A 29 LEU H A 28 GLU HBx 1.0 2.0 4.8 237 231 A 28 GLU HBy A 29 LEU H 1.0 2.0 4.8 238 232 A 29 LEU H A 28 GLU HGx 1.0 2.0 5.8 239 232 A 28 GLU HGy A 29 LEU H 1.0 2.0 5.8 240 233 A 29 LEU H A 29 LEU HA 1.0 2.0 2.9 241 234 A 29 LEU H A 29 LEU HBy 1.0 2.0 4.0 242 235 A 29 LEU H A 29 LEU HBx 1.0 2.0 4.0 243 236 A 29 LEU H A 33 GLU HA 1.0 2.2 4.4 244 237 A 29 LEU H A 32 HIS H 1.0 2.0 3.6 245 238 A 29 LEU H A 32 HIS HBx 1.0 2.2 4.6 246 239 A 29 LEU H A 32 HIS HBy 1.0 2.2 4.6 247 240 A 29 LEU H A 31 GLY H 1.0 2.0 4.6 248 241 A 29 LEU HA A 30 LEU H 1.0 2.4 3.2 249 242 A 29 LEU H A 30 LEU H 1.0 2.0 4.6 250 243 A 29 LEU HBy A 30 LEU H 1.0 2.0 4.4 251 244 A 29 LEU HBx A 30 LEU H 1.0 0.0 4.4 252 245 A 30 LEU H A 30 LEU HA 1.0 2.0 2.9 253 246 A 30 LEU H A 30 LEU HBx 1.0 2.0 5.4 254 246 A 30 LEU H A 30 LEU HBy 1.0 2.0 5.4 255 247 A 30 LEU H A 30 LEU HDx% 1.0 2.0 6.4 256 248 A 30 LEU H A 30 LEU HDy% 1.0 2.0 6.4 257 249 A 31 GLY H A 30 LEU HA 1.0 2.0 3.2 258 250 A 31 GLY H A 30 LEU H 1.0 2.0 3.0 259 251 A 31 GLY H A 30 LEU HBy 1.0 2.0 4.4 260 252 A 31 GLY H A 30 LEU HBx 1.0 0.0 4.4 261 253 A 31 GLY H A 31 GLY HAx 1.0 2.2 3.0 262 254 A 31 GLY H A 31 GLY HAy 1.0 2.1 3.0 263 255 A 32 HIS H A 31 GLY H 1.0 2.0 2.6 264 256 A 32 HIS H A 31 GLY HAy 1.0 2.0 3.6 265 257 A 32 HIS H A 31 GLY HAx 1.0 2.0 3.6 266 258 A 32 HIS H A 32 HIS HA 1.0 2.0 2.9 267 259 A 32 HIS H A 32 HIS HBx 1.0 2.0 3.4 268 260 A 32 HIS H A 32 HIS HBy 1.0 2.0 2.8 269 261 A 28 GLU HA A 32 HIS H 1.0 2.4 4.8 270 262 A 32 HIS H A 30 LEU HA 1.0 4.0 4.6 271 263 A 32 HIS H A 29 LEU O 1.0 1.9 2.0 272 264 A 29 LEU H A 32 HIS O 1.0 1.9 2.2 273 265 A 32 HIS HA A 33 GLU H 1.0 2.0 2.4 274 266 A 32 HIS H A 33 GLU H 1.0 4.0 4.6 275 267 A 32 HIS HBx A 33 GLU H 1.0 2.0 4.0 276 268 A 32 HIS HBy A 33 GLU H 1.0 2.0 4.0 277 269 A 33 GLU HA A 33 GLU H 1.0 2.0 2.9 278 270 A 33 GLU H A 33 GLU HBy 1.0 2.0 4.6 279 270 A 33 GLU H A 33 GLU HBx 1.0 2.0 4.6 280 271 A 34 CYS H A 33 GLU HA 1.0 2.0 2.4 281 272 A 34 CYS H A 33 GLU H 1.0 4.0 4.6 282 273 A 34 CYS H A 33 GLU HBy 1.0 2.0 5.0 283 274 A 34 CYS H A 33 GLU HBx 1.0 2.0 5.0 284 275 A 34 CYS H A 34 CYS HA 1.0 2.0 2.9 285 276 A 34 CYS H A 34 CYS HBy 1.0 2.0 4.6 286 276 A 34 CYS H A 34 CYS HBx 1.0 2.0 4.6 287 277 A 26 LYS HA A 34 CYS H 1.0 2.0 5.0 288 278 A 34 CYS H A 28 GLU HA 1.0 2.6 3.0 289 279 A 34 CYS HA A 35 LYS H 1.0 2.0 2.4 290 280 A 34 CYS H A 35 LYS H 1.0 4.0 4.6 291 281 A 35 LYS H A 34 CYS HBy 1.0 2.0 3.2 292 282 A 34 CYS HBx A 35 LYS H 1.0 2.4 3.6 293 283 A 35 LYS HA A 35 LYS H 1.0 2.0 2.9 294 284 A 35 LYS H A 35 LYS HBy 1.0 2.0 2.8 295 285 A 35 LYS H A 35 LYS HBx 1.0 2.0 2.8 296 286 A 35 LYS H A 54 TRP H 1.0 2.0 3.4 297 287 A 35 LYS H A 55 CYS HA 1.0 2.0 3.4 298 288 A 35 LYS H A 55 CYS HBy 1.0 2.0 5.4 299 289 A 35 LYS H A 55 CYS HBx 1.0 2.0 5.4 300 290 A 35 LYS HA A 36 PHE H 1.0 2.0 2.4 301 291 A 35 LYS H A 36 PHE H 1.0 4.0 4.6 302 292 A 35 LYS HBy A 36 PHE H 1.0 2.0 4.4 303 293 A 35 LYS HBx A 36 PHE H 1.0 2.0 4.4 304 294 A 36 PHE H A 36 PHE HA 1.0 2.0 2.9 305 295 A 36 PHE H A 36 PHE HBx 1.0 2.0 3.6 306 296 A 36 PHE H A 36 PHE HBy 1.0 1.2 2.8 307 297 A 26 LYS HA A 36 PHE H 1.0 2.2 3.0 308 298 A 36 PHE HA A 37 THR H 1.0 2.0 2.4 309 299 A 36 PHE H A 37 THR H 1.0 4.0 4.6 310 300 A 36 PHE HBx A 37 THR H 1.0 2.0 4.4 311 301 A 36 PHE HBy A 37 THR H 1.0 2.0 4.4 312 302 A 37 THR H A 37 THR HA 1.0 2.0 2.9 313 303 A 37 THR H A 37 THR HB 1.0 2.0 4.0 314 304 A 37 THR H A 37 THR HG2% 1.0 2.0 5.0 315 305 A 37 THR H A 77 THR HG2% 1.0 2.0 6.8 316 306 A 37 THR H A 53 MET HA 1.0 2.0 3.4 317 307 A 37 THR H A 52 ARG H 1.0 2.0 3.4 318 308 A 37 THR HA A 38 VAL H 1.0 2.0 2.4 319 309 A 37 THR H A 38 VAL H 1.0 4.0 4.6 320 310 A 37 THR HB A 38 VAL H 1.0 2.0 2.8 321 311 A 37 THR HG2% A 38 VAL H 1.0 2.0 5.4 322 312 A 38 VAL H A 38 VAL HA 1.0 2.0 2.9 323 313 A 38 VAL H A 38 VAL HB 1.0 2.0 3.0 324 314 A 38 VAL H A 38 VAL HGx% 1.0 2.0 6.4 325 315 A 38 VAL H A 38 VAL HGy% 1.0 2.0 4.6 326 316 A 38 VAL HA A 39 LYS H 1.0 2.0 2.4 327 317 A 38 VAL HB A 39 LYS H 1.0 2.0 4.6 328 318 A 38 VAL HGx% A 39 LYS H 1.0 2.0 5.4 329 319 A 38 VAL HGy% A 39 LYS H 1.0 2.2 5.6 330 320 A 39 LYS H A 39 LYS HA 1.0 2.0 2.9 331 321 A 39 LYS H A 39 LYS HBx 1.0 2.0 3.4 332 322 A 39 LYS H A 39 LYS HBy 1.0 2.0 3.4 333 323 A 39 LYS H A 39 LYS HGx 1.0 2.0 5.8 334 323 A 39 LYS H A 39 LYS HGy 1.0 2.0 5.8 335 324 A 39 LYS H A 51 GLY HAx 1.0 2.0 3.6 336 325 A 39 LYS H A 51 GLY HAy 1.0 2.0 4.0 337 326 A 39 LYS H A 51 GLY H 1.0 2.0 5.2 338 327 A 39 LYS H A 50 LYS H 1.0 2.0 3.4 339 328 A 39 LYS HA A 40 PRO HDx 1.0 2.0 2.6 340 329 A 39 LYS HA A 40 PRO HDy 1.0 2.0 2.6 341 330 A 40 PRO HA A 41 TYR H 1.0 2.0 2.4 342 331 A 41 TYR H A 40 PRO HBy 1.0 2.0 3.6 343 332 A 41 TYR H A 40 PRO HBx 1.0 2.0 3.6 344 333 A 41 TYR H A 41 TYR HA 1.0 2.0 2.9 345 334 A 41 TYR H A 41 TYR HBx 1.0 2.0 3.6 346 335 A 41 TYR H A 41 TYR HBy 1.0 2.0 3.6 347 336 A 41 TYR H A 48 TYR H 1.0 2.8 3.2 348 337 A 41 TYR H A 49 TYR HA 1.0 2.2 3.6 349 338 A 41 TYR H A 47 VAL HA 1.0 4.0 4.8 350 339 A 41 TYR H A 47 VAL HGx% 1.0 2.0 5.8 351 340 A 41 TYR HA A 42 LEU H 1.0 2.0 2.4 352 341 A 41 TYR H A 42 LEU H 1.0 2.0 4.6 353 342 A 41 TYR HBx A 42 LEU H 1.0 2.0 2.8 354 343 A 41 TYR HBy A 42 LEU H 1.0 2.0 2.8 355 344 A 42 LEU H A 42 LEU HA 1.0 2.0 2.9 356 345 A 42 LEU H A 42 LEU HBx 1.0 2.0 3.0 357 346 A 42 LEU H A 42 LEU HBy 1.0 2.0 2.8 358 347 A 42 LEU H A 42 LEU HG 1.0 3.8 4.6 359 348 A 42 LEU H A 42 LEU HDx% 1.0 2.0 6.4 360 349 A 42 LEU H A 42 LEU HDy% 1.0 2.0 6.4 361 350 A 42 LEU HA A 43 LYS H 1.0 2.0 2.4 362 351 A 42 LEU H A 43 LYS H 1.0 2.0 4.6 363 352 A 42 LEU HBx A 43 LYS H 1.0 2.2 3.6 364 353 A 42 LEU HBy A 43 LYS H 1.0 2.4 4.4 365 354 A 42 LEU HG A 43 LYS H 1.0 2.0 2.6 366 355 A 42 LEU HDx% A 43 LYS H 1.0 3.0 5.8 367 356 A 42 LEU HDy% A 43 LYS H 1.0 3.0 5.8 368 357 A 43 LYS H A 43 LYS HA 1.0 2.0 2.9 369 358 A 43 LYS H A 43 LYS HBy 1.0 2.0 2.8 370 359 A 43 LYS H A 43 LYS HBx 1.0 2.0 2.8 371 360 A 43 LYS H A 46 GLN O 1.0 1.9 2.1 372 361 A 43 LYS H A 46 GLN H 1.0 2.2 2.8 373 362 A 43 LYS H A 46 GLN HA 1.0 4.4 4.8 374 363 A 47 VAL HA A 43 LYS H 1.0 3.0 3.6 375 364 A 48 TYR H A 43 LYS H 1.0 4.2 4.8 376 365 A 43 LYS H A 45 PHE H 1.0 3.8 4.8 377 366 A 43 LYS HA A 44 ARG H 1.0 2.2 2.6 378 367 A 43 LYS H A 44 ARG H 1.0 2.2 4.6 379 368 A 43 LYS HBy A 44 ARG H 1.0 2.0 4.0 380 369 A 43 LYS HBx A 44 ARG H 1.0 2.0 4.0 381 370 A 44 ARG H A 44 ARG HA 1.0 2.2 2.6 382 371 A 44 ARG H A 44 ARG HBy 1.0 2.0 4.0 383 372 A 44 ARG H A 44 ARG HBx 1.0 2.0 4.0 384 373 A 45 PHE H A 44 ARG HA 1.0 2.4 3.4 385 374 A 45 PHE H A 44 ARG H 1.0 2.6 3.0 386 375 A 45 PHE H A 44 ARG HBy 1.0 2.0 4.0 387 376 A 45 PHE H A 44 ARG HBx 1.0 2.0 4.0 388 377 A 45 PHE H A 45 PHE HA 1.0 2.2 2.8 389 378 A 45 PHE H A 45 PHE HBy 1.0 2.8 4.8 390 379 A 45 PHE H A 45 PHE HBx 1.0 2.0 4.0 391 380 A 46 GLN H A 45 PHE HA 1.0 2.0 3.2 392 381 A 46 GLN H A 45 PHE H 1.0 1.4 2.8 393 382 A 46 GLN H A 45 PHE HBy 1.0 3.2 4.8 394 383 A 46 GLN H A 45 PHE HBx 1.0 3.2 4.8 395 384 A 46 GLN H A 46 GLN HA 1.0 2.0 2.9 396 385 A 46 GLN H A 46 GLN HBx 1.0 2.0 4.4 397 386 A 46 GLN H A 46 GLN HBy 1.0 2.0 4.4 398 387 A 46 GLN H A 44 ARG H 1.0 4.2 4.8 399 388 A 42 LEU HA A 46 GLN H 1.0 4.2 4.8 400 389 A 46 GLN H A 43 LYS O 1.0 2.0 2.6 401 390 A 46 GLN HA A 47 VAL H 1.0 2.0 2.4 402 391 A 46 GLN H A 47 VAL H 1.0 2.6 4.6 403 392 A 46 GLN HBx A 47 VAL H 1.0 2.0 4.4 404 393 A 46 GLN HBy A 47 VAL H 1.0 2.0 4.4 405 394 A 47 VAL HA A 47 VAL H 1.0 2.0 2.9 406 395 A 47 VAL H A 47 VAL HB 1.0 2.0 2.8 407 396 A 47 VAL HGx% A 47 VAL H 1.0 2.0 6.4 408 397 A 47 VAL H A 47 VAL HGy% 1.0 2.0 4.6 409 398 A 48 TYR H A 47 VAL HA 1.0 2.0 2.4 410 399 A 48 TYR H A 47 VAL H 1.0 2.0 4.6 411 400 A 48 TYR H A 47 VAL HB 1.0 2.0 4.8 412 401 A 48 TYR H A 47 VAL HGx% 1.0 2.0 5.4 413 402 A 48 TYR H A 47 VAL HGy% 1.0 2.0 6.8 414 403 A 48 TYR H A 48 TYR HA 1.0 2.0 2.9 415 404 A 48 TYR H A 48 TYR HBx 1.0 2.0 4.0 416 405 A 48 TYR H A 48 TYR HBy 1.0 2.0 4.0 417 406 A 48 TYR H A 42 LEU HA 1.0 2.8 3.2 418 407 A 48 TYR HA A 49 TYR H 1.0 2.0 2.4 419 408 A 48 TYR H A 49 TYR H 1.0 2.0 4.6 420 409 A 48 TYR HBx A 49 TYR H 1.0 2.0 3.6 421 410 A 48 TYR HBy A 49 TYR H 1.0 2.0 4.4 422 411 A 49 TYR HA A 49 TYR H 1.0 2.0 2.9 423 412 A 49 TYR H A 49 TYR HBy 1.0 2.0 3.4 424 413 A 49 TYR H A 49 TYR HBx 1.0 2.0 3.4 425 414 A 49 TYR H A 68 ARG HA 1.0 2.0 4.2 426 415 A 49 TYR H A 67 THR H 1.0 2.6 4.4 427 416 A 50 LYS H A 49 TYR HA 1.0 2.0 2.4 428 417 A 50 LYS H A 49 TYR H 1.0 2.0 4.6 429 418 A 50 LYS H A 49 TYR HBy 1.0 2.0 4.4 430 419 A 50 LYS H A 49 TYR HBx 1.0 2.0 4.4 431 420 A 50 LYS H A 50 LYS HA 1.0 2.0 2.9 432 421 A 50 LYS H A 50 LYS HBx 1.0 2.0 3.4 433 422 A 50 LYS H A 50 LYS HBy 1.0 2.0 3.4 434 423 A 50 LYS H A 40 PRO HA 1.0 2.0 3.4 435 424 A 51 GLY H A 50 LYS HA 1.0 2.0 2.4 436 425 A 51 GLY H A 50 LYS HBx 1.0 2.0 4.0 437 426 A 51 GLY H A 50 LYS HBy 1.0 2.0 4.0 438 427 A 51 GLY HAy A 51 GLY H 1.0 1.7 2.6 439 428 A 51 GLY HAx A 51 GLY H 1.0 2.5 2.9 440 429 A 51 GLY H A 65 ALA H 1.0 2.2 3.6 441 430 A 51 GLY H A 66 SER HA 1.0 2.2 3.6 442 431 A 51 GLY H A 64 GLU HA 1.0 2.0 5.2 443 432 A 77 THR HG2% A 51 GLY H 1.0 2.0 7.0 444 433 A 51 GLY H A 73 VAL HGy% 1.0 2.0 4.8 445 434 A 52 ARG H A 51 GLY HAy 1.0 2.8 3.2 446 435 A 52 ARG H A 51 GLY HAx 1.0 2.0 2.4 447 436 A 52 ARG H A 51 GLY H 1.0 2.0 4.6 448 437 A 52 ARG H A 52 ARG HA 1.0 2.0 2.9 449 438 A 52 ARG H A 52 ARG HBx 1.0 2.0 3.4 450 439 A 52 ARG H A 52 ARG HBy 1.0 2.0 3.4 451 440 A 52 ARG H A 38 VAL HA 1.0 2.0 3.4 452 441 A 52 ARG H A 53 MET H 1.0 2.0 4.6 453 442 A 52 ARG HA A 53 MET H 1.0 2.0 2.4 454 443 A 53 MET HA A 53 MET H 1.0 2.0 2.9 455 444 A 53 MET H A 53 MET HBx 1.0 2.2 3.6 456 445 A 53 MET H A 53 MET HBy 1.0 2.0 4.4 457 446 A 53 MET H A 63 GLY H 1.0 2.0 3.4 458 447 A 64 GLU HA A 53 MET H 1.0 2.0 3.4 459 448 A 53 MET H A 64 GLU H 1.0 2.0 5.2 460 449 A 54 TRP H A 53 MET HA 1.0 2.0 2.9 461 450 A 54 TRP H A 53 MET H 1.0 2.0 4.6 462 451 A 54 TRP H A 53 MET HBx 1.0 2.0 4.0 463 452 A 54 TRP H A 53 MET HBy 1.0 2.0 3.4 464 453 A 54 TRP H A 54 TRP HA 1.0 2.0 2.9 465 454 A 54 TRP H A 54 TRP HBx 1.0 2.0 4.6 466 455 A 54 TRP H A 54 TRP HBy 1.0 2.0 4.6 467 456 A 54 TRP H A 36 PHE HA 1.0 2.0 3.4 468 457 A 54 TRP H A 34 CYS HBy 1.0 2.0 6.0 469 457 A 34 CYS HBx A 54 TRP H 1.0 2.0 6.0 470 458 A 35 LYS HBy A 54 TRP H 1.0 1.8 4.8 471 459 A 35 LYS HBx A 54 TRP H 1.0 1.8 4.8 472 460 A 54 TRP HA A 55 CYS H 1.0 2.0 2.9 473 461 A 54 TRP H A 55 CYS H 1.0 2.0 4.6 474 462 A 54 TRP HBx A 55 CYS H 1.0 2.0 4.8 475 463 A 54 TRP HBy A 55 CYS H 1.0 2.0 4.8 476 464 A 55 CYS HA A 55 CYS H 1.0 2.0 2.9 477 465 A 55 CYS HBy A 55 CYS H 1.0 2.0 4.6 478 466 A 55 CYS HBx A 55 CYS H 1.0 2.0 4.6 479 467 A 55 CYS H A 61 ILE H 1.0 2.0 4.4 480 468 A 55 CYS H A 62 ARG HA 1.0 2.0 4.8 481 469 A 55 CYS HA A 56 PRO HDx 1.0 2.0 2.8 482 470 A 55 CYS HA A 56 PRO HDy 1.0 2.0 2.8 483 471 A 56 PRO HA A 57 GLY H 1.0 2.0 2.4 484 472 A 57 GLY H A 56 PRO HBx 1.0 2.0 4.6 485 473 A 57 GLY H A 56 PRO HBy 1.0 2.0 4.6 486 474 A 57 GLY H A 57 GLY HAx 1.0 2.0 2.8 487 475 A 57 GLY H A 57 GLY HAy 1.0 2.0 2.9 488 476 A 57 GLY HAx A 58 TRP H 1.0 2.0 3.6 489 477 A 57 GLY HAy A 58 TRP H 1.0 2.0 3.6 490 478 A 57 GLY H A 58 TRP H 1.0 2.0 2.6 491 479 A 58 TRP H A 58 TRP HA 1.0 2.0 2.7 492 480 A 58 TRP H A 58 TRP HBy 1.0 2.0 2.8 493 481 A 58 TRP H A 58 TRP HBx 1.0 2.0 2.8 494 482 A 56 PRO HA A 58 TRP H 1.0 4.0 4.4 495 483 A 58 TRP HA A 59 THR H 1.0 2.0 3.6 496 484 A 58 TRP H A 59 THR H 1.0 2.0 2.8 497 485 A 58 TRP HBy A 59 THR H 1.0 2.0 3.4 498 486 A 58 TRP HBx A 59 THR H 1.0 2.0 3.4 499 487 A 59 THR H A 59 THR HA 1.0 2.0 2.8 500 488 A 59 THR H A 59 THR HB 1.0 3.4 4.8 501 489 A 59 THR H A 59 THR HG2% 1.0 1.0 4.4 502 490 A 59 THR HA A 60 ALA H 1.0 2.0 3.4 503 491 A 59 THR H A 60 ALA H 1.0 2.0 4.0 504 492 A 59 THR HB A 60 ALA H 1.0 2.4 4.8 505 493 A 59 THR HG2% A 60 ALA H 1.0 3.0 5.4 506 494 A 60 ALA H A 60 ALA HA 1.0 2.0 2.9 507 495 A 60 ALA H A 60 ALA HB% 1.0 2.0 4.4 508 496 A 61 ILE H A 60 ALA HA 1.0 2.3 3.5 509 497 A 61 ILE H A 60 ALA HB% 1.0 2.0 5.8 510 498 A 61 ILE H A 60 ALA H 1.0 2.4 3.4 511 499 A 61 ILE H A 61 ILE HA 1.0 2.0 2.9 512 500 A 61 ILE H A 61 ILE HB 1.0 2.0 4.4 513 501 A 61 ILE H A 61 ILE HG2% 1.0 2.0 5.8 514 502 A 61 ILE H A 59 THR HG2% 1.0 3.0 4.8 515 503 A 61 ILE H A 90 LEU HDx% 1.0 4.0 6.8 516 504 A 61 ILE HA A 62 ARG H 1.0 2.0 2.4 517 505 A 61 ILE H A 62 ARG H 1.0 2.0 4.6 518 506 A 61 ILE HB A 62 ARG H 1.0 2.0 4.8 519 507 A 61 ILE HG2% A 62 ARG H 1.0 2.0 5.4 520 508 A 62 ARG HA A 62 ARG H 1.0 2.0 2.9 521 509 A 62 ARG H A 62 ARG HBx 1.0 2.0 3.6 522 510 A 62 ARG H A 62 ARG HBy 1.0 2.0 3.6 523 511 A 63 GLY H A 62 ARG HA 1.0 2.0 2.4 524 512 A 63 GLY H A 62 ARG H 1.0 2.0 4.6 525 513 A 63 GLY H A 62 ARG HBx 1.0 2.0 3.4 526 514 A 63 GLY H A 62 ARG HBy 1.0 2.0 3.4 527 515 A 63 GLY H A 63 GLY HAy 1.0 2.0 2.8 528 516 A 63 GLY H A 63 GLY HAx 1.0 2.0 2.9 529 517 A 63 GLY H A 81 PHE HDx 1.0 2.0 5.0 530 517 A 63 GLY H A 81 PHE HDy 1.0 2.0 5.0 531 518 A 52 ARG HA A 63 GLY H 1.0 2.0 5.2 532 519 A 77 THR HG2% A 63 GLY H 1.0 2.0 6.8 533 520 A 64 GLU H A 63 GLY HAx 1.0 2.0 2.4 534 521 A 64 GLU H A 63 GLY HAy 1.0 2.2 3.0 535 522 A 64 GLU HA A 64 GLU H 1.0 2.0 2.9 536 523 A 64 GLU H A 64 GLU HBy 1.0 2.0 3.6 537 524 A 64 GLU H A 64 GLU HBx 1.0 2.0 3.6 538 525 A 64 GLU H A 64 GLU HGy 1.0 2.0 5.8 539 525 A 64 GLU H A 64 GLU HGx 1.0 2.0 5.8 540 526 A 64 GLU H A 81 PHE H 1.0 2.4 5.2 541 527 A 64 GLU H A 80 ASP H 1.0 3.0 5.8 542 528 A 64 GLU H A 81 PHE HBy 1.0 2.0 5.2 543 529 A 64 GLU H A 80 ASP HBy 1.0 2.4 3.4 544 530 A 64 GLU H A 80 ASP HBx 1.0 2.4 3.4 545 531 A 77 THR HG2% A 64 GLU H 1.0 2.0 6.4 546 532 A 65 ALA H A 64 GLU HA 1.0 2.0 2.4 547 533 A 65 ALA H A 64 GLU H 1.0 2.0 4.6 548 534 A 65 ALA H A 64 GLU HBy 1.0 2.0 4.0 549 535 A 65 ALA H A 64 GLU HBx 1.0 2.0 3.4 550 536 A 65 ALA H A 65 ALA HA 1.0 2.0 2.9 551 537 A 65 ALA H A 65 ALA HB% 1.0 2.0 4.4 552 538 A 50 LYS HA A 65 ALA H 1.0 2.0 5.2 553 539 A 65 ALA H A 52 ARG HA 1.0 1.0 3.4 554 540 A 65 ALA HA A 66 SER H 1.0 2.0 2.4 555 541 A 65 ALA H A 66 SER H 1.0 2.0 4.6 556 542 A 65 ALA HB% A 66 SER H 1.0 2.0 4.8 557 543 A 66 SER HA A 66 SER H 1.0 2.0 2.9 558 544 A 66 SER H A 66 SER HBy 1.0 2.0 4.4 559 545 A 66 SER H A 66 SER HBx 1.0 2.0 4.4 560 546 A 67 THR H A 66 SER HA 1.0 2.0 2.4 561 547 A 67 THR H A 66 SER H 1.0 2.0 4.6 562 548 A 67 THR H A 66 SER HBy 1.0 2.0 3.6 563 549 A 67 THR H A 66 SER HBx 1.0 2.0 3.6 564 550 A 67 THR H A 67 THR HA 1.0 2.0 2.9 565 551 A 67 THR H A 67 THR HB 1.0 2.0 3.4 566 552 A 67 THR H A 67 THR HG2% 1.0 2.0 4.8 567 553 A 67 THR H A 50 LYS HA 1.0 2.0 4.4 568 554 A 49 TYR H A 67 THR H 1.0 2.0 4.6 569 555 A 67 THR HA A 68 ARG H 1.0 2.0 2.6 570 556 A 67 THR H A 68 ARG H 1.0 2.0 4.4 571 557 A 67 THR HB A 68 ARG H 1.0 2.0 4.4 572 558 A 67 THR HG2% A 68 ARG H 1.0 2.0 5.8 573 559 A 68 ARG HA A 68 ARG H 1.0 2.0 2.9 574 560 A 68 ARG H A 68 ARG HBy 1.0 2.0 4.4 575 561 A 68 ARG H A 68 ARG HBx 1.0 2.0 4.4 576 562 A 68 ARG HA A 69 SER H 1.0 2.0 3.5 577 563 A 68 ARG H A 69 SER H 1.0 2.2 3.0 578 564 A 68 ARG HBy A 69 SER H 1.0 2.0 3.6 579 565 A 68 ARG HBx A 69 SER H 1.0 2.0 3.6 580 566 A 69 SER H A 69 SER HA 1.0 2.0 2.8 581 567 A 69 SER H A 69 SER HBy 1.0 2.0 4.4 582 568 A 69 SER H A 69 SER HBx 1.0 2.0 4.4 583 569 A 67 THR HA A 69 SER H 1.0 4.0 4.6 584 570 A 67 THR HG2% A 69 SER H 1.0 3.4 5.0 585 571 A 69 SER HA A 70 GLN H 1.0 2.0 2.4 586 572 A 69 SER H A 70 GLN H 1.0 2.0 4.6 587 573 A 69 SER HBy A 70 GLN H 1.0 2.0 3.6 588 574 A 69 SER HBx A 70 GLN H 1.0 2.0 3.6 589 575 A 70 GLN H A 70 GLN HA 1.0 2.0 2.8 590 576 A 70 GLN H A 70 GLN HBy 1.0 2.0 4.4 591 577 A 70 GLN H A 70 GLN HBx 1.0 2.0 4.4 592 578 A 70 GLN H A 70 GLN HGx 1.0 2.0 5.4 593 578 A 70 GLN H A 70 GLN HGy 1.0 2.0 5.4 594 579 A 70 GLN HA A 71 SER H 1.0 2.0 3.6 595 580 A 70 GLN H A 71 SER H 1.0 2.6 3.0 596 581 A 70 GLN HBy A 71 SER H 1.0 2.0 4.0 597 582 A 70 GLN HBx A 71 SER H 1.0 2.0 4.0 598 583 A 71 SER H A 71 SER HA 1.0 2.0 2.8 599 584 A 71 SER H A 71 SER HBy 1.0 2.0 4.4 600 585 A 71 SER H A 71 SER HBx 1.0 2.0 4.4 601 586 A 69 SER HA A 71 SER H 1.0 3.8 4.8 602 587 A 71 SER HA A 72 GLY H 1.0 2.0 3.5 603 588 A 71 SER H A 72 GLY H 1.0 2.0 3.0 604 589 A 71 SER HBy A 72 GLY H 1.0 2.0 4.0 605 590 A 71 SER HBx A 72 GLY H 1.0 2.0 4.0 606 591 A 72 GLY H A 72 GLY HAy 1.0 1.6 2.4 607 592 A 72 GLY H A 72 GLY HAx 1.0 2.2 3.0 608 593 A 69 SER HA A 72 GLY H 1.0 3.6 4.4 609 594 A 72 GLY HAy A 73 VAL H 1.0 1.5 3.0 610 595 A 72 GLY HAx A 73 VAL H 1.0 2.1 3.6 611 596 A 72 GLY H A 73 VAL H 1.0 2.0 3.0 612 597 A 73 VAL H A 73 VAL HA 1.0 2.0 2.8 613 598 A 73 VAL H A 73 VAL HB 1.0 2.0 2.6 614 599 A 73 VAL HGy% A 73 VAL H 1.0 2.0 4.4 615 600 A 73 VAL H A 73 VAL HGx% 1.0 2.0 5.8 616 601 A 71 SER H A 73 VAL H 1.0 2.2 4.8 617 602 A 71 SER HA A 73 VAL H 1.0 2.2 4.6 618 603 A 73 VAL HA A 74 ALA H 1.0 2.0 3.5 619 604 A 73 VAL H A 74 ALA H 1.0 2.0 2.8 620 605 A 73 VAL HB A 74 ALA H 1.0 3.0 3.6 621 606 A 73 VAL HGy% A 74 ALA H 1.0 2.0 6.4 622 607 A 73 VAL HGx% A 74 ALA H 1.0 2.0 6.4 623 608 A 74 ALA H A 74 ALA HA 1.0 2.0 2.8 624 609 A 74 ALA H A 74 ALA HB% 1.0 2.0 4.4 625 610 A 72 GLY H A 74 ALA H 1.0 2.2 4.4 626 611 A 72 GLY HAx A 74 ALA H 1.0 2.4 4.4 627 612 A 71 SER HA A 74 ALA H 1.0 2.1 3.6 628 613 A 70 GLN HA A 74 ALA H 1.0 3.9 5.4 629 614 A 74 ALA HA A 75 GLY H 1.0 2.0 3.5 630 615 A 74 ALA H A 75 GLY H 1.0 2.0 2.8 631 616 A 74 ALA HB% A 75 GLY H 1.0 2.0 5.0 632 617 A 75 GLY H A 75 GLY HAy 1.0 2.1 2.9 633 618 A 75 GLY H A 75 GLY HAx 1.0 2.0 2.7 634 619 A 73 VAL H A 75 GLY H 1.0 2.4 4.6 635 620 A 73 VAL HA A 75 GLY H 1.0 2.2 4.6 636 621 A 72 GLY HAx A 75 GLY H 1.0 2.0 3.5 637 622 A 75 GLY HAy A 76 LYS H 1.0 2.0 3.6 638 623 A 75 GLY HAx A 76 LYS H 1.0 2.0 3.6 639 624 A 75 GLY H A 76 LYS H 1.0 2.0 2.8 640 625 A 76 LYS H A 76 LYS HA 1.0 2.0 2.7 641 626 A 76 LYS H A 76 LYS HBx 1.0 2.0 4.0 642 627 A 76 LYS H A 76 LYS HBy 1.0 2.0 4.0 643 628 A 72 GLY HAx A 76 LYS H 1.0 2.6 4.8 644 629 A 73 VAL HA A 76 LYS H 1.0 2.0 3.4 645 630 A 74 ALA HA A 76 LYS H 1.0 2.0 4.4 646 631 A 74 ALA H A 76 LYS H 1.0 2.0 4.2 647 632 A 76 LYS HA A 77 THR H 1.0 2.0 3.6 648 633 A 76 LYS H A 77 THR H 1.0 2.0 2.8 649 634 A 76 LYS HBx A 77 THR H 1.0 2.0 4.0 650 635 A 76 LYS HBy A 77 THR H 1.0 2.0 4.0 651 636 A 77 THR H A 77 THR HA 1.0 2.0 2.7 652 637 A 77 THR H A 77 THR HB 1.0 2.0 3.2 653 638 A 77 THR HG2% A 77 THR H 1.0 2.0 5.4 654 639 A 73 VAL HA A 77 THR H 1.0 2.0 4.2 655 640 A 74 ALA HA A 77 THR H 1.0 2.0 3.4 656 641 A 75 GLY HAx A 77 THR H 1.0 2.0 4.4 657 642 A 75 GLY H A 77 THR H 1.0 2.0 4.2 658 643 A 77 THR H A 36 PHE HD% 1.0 2.2 7.0 659 644 A 77 THR H A 36 PHE HE% 1.0 2.0 6.4 660 645 A 77 THR HA A 78 ALA H 1.0 2.0 3.6 661 646 A 77 THR H A 78 ALA H 1.0 2.0 2.8 662 647 A 77 THR HB A 78 ALA H 1.0 2.0 3.6 663 648 A 77 THR HG2% A 78 ALA H 1.0 2.0 4.4 664 649 A 78 ALA H A 78 ALA HA 1.0 2.0 2.7 665 650 A 78 ALA H A 78 ALA HB% 1.0 2.0 4.8 666 651 A 74 ALA HA A 78 ALA H 1.0 2.0 4.2 667 652 A 75 GLY HAx A 78 ALA H 1.0 2.0 3.6 668 653 A 76 LYS HA A 78 ALA H 1.0 2.0 4.4 669 654 A 76 LYS H A 78 ALA H 1.0 2.0 4.2 670 655 A 78 ALA HA A 79 LYS H 1.0 2.0 3.6 671 656 A 78 ALA H A 79 LYS H 1.0 2.0 2.8 672 657 A 78 ALA HB% A 79 LYS H 1.0 2.0 4.6 673 658 A 79 LYS H A 79 LYS HA 1.0 2.0 2.8 674 659 A 79 LYS H A 79 LYS HBy 1.0 2.0 2.8 675 660 A 79 LYS H A 79 LYS HBx 1.0 2.0 2.8 676 661 A 75 GLY HAx A 79 LYS H 1.0 2.6 4.8 677 662 A 76 LYS HA A 79 LYS H 1.0 2.0 3.4 678 663 A 77 THR HA A 79 LYS H 1.0 2.0 4.4 679 664 A 77 THR H A 79 LYS H 1.0 2.0 4.2 680 665 A 80 ASP H A 79 LYS HA 1.0 2.0 3.6 681 666 A 80 ASP H A 79 LYS H 1.0 2.0 2.8 682 667 A 80 ASP H A 79 LYS HBy 1.0 2.0 3.6 683 668 A 80 ASP H A 79 LYS HBx 1.0 2.0 3.6 684 669 A 80 ASP H A 80 ASP HA 1.0 2.0 2.8 685 670 A 80 ASP H A 80 ASP HBy 1.0 2.0 4.0 686 671 A 80 ASP H A 80 ASP HBx 1.0 2.0 4.0 687 672 A 80 ASP H A 76 LYS HA 1.0 2.0 4.2 688 673 A 80 ASP H A 77 THR HA 1.0 2.2 3.6 689 674 A 80 ASP H A 78 ALA HA 1.0 2.0 4.4 690 675 A 80 ASP H A 78 ALA H 1.0 2.0 4.2 691 676 A 81 PHE H A 80 ASP HA 1.0 2.0 3.6 692 677 A 81 PHE H A 80 ASP H 1.0 2.0 2.8 693 678 A 81 PHE H A 80 ASP HBy 1.0 2.0 3.6 694 679 A 81 PHE H A 80 ASP HBx 1.0 2.0 3.6 695 680 A 81 PHE H A 81 PHE HA 1.0 2.0 2.8 696 681 A 81 PHE H A 81 PHE HBx 1.0 2.0 3.0 697 682 A 81 PHE H A 81 PHE HBy 1.0 2.0 3.0 698 683 A 81 PHE H A 77 THR HA 1.0 2.0 4.2 699 684 A 81 PHE H A 78 ALA HA 1.0 2.0 3.4 700 685 A 81 PHE H A 79 LYS HA 1.0 2.0 4.4 701 686 A 81 PHE H A 79 LYS H 1.0 2.0 4.2 702 687 A 81 PHE HA A 82 VAL H 1.0 2.0 3.6 703 688 A 81 PHE H A 82 VAL H 1.0 2.0 2.8 704 689 A 81 PHE HBx A 82 VAL H 1.0 2.0 3.6 705 690 A 81 PHE HBy A 82 VAL H 1.0 2.0 4.0 706 691 A 82 VAL H A 82 VAL HA 1.0 2.0 2.8 707 692 A 82 VAL HB A 82 VAL H 1.0 2.0 2.8 708 693 A 82 VAL HGx% A 82 VAL H 1.0 2.0 6.0 709 694 A 82 VAL HGy% A 82 VAL H 1.0 2.0 4.8 710 695 A 78 ALA HA A 82 VAL H 1.0 2.0 4.2 711 696 A 79 LYS HA A 82 VAL H 1.0 2.0 3.4 712 697 A 80 ASP HA A 82 VAL H 1.0 2.0 4.4 713 698 A 80 ASP H A 82 VAL H 1.0 2.0 4.2 714 699 A 82 VAL HA A 83 ARG H 1.0 2.0 3.6 715 700 A 82 VAL H A 83 ARG H 1.0 2.0 2.8 716 701 A 82 VAL HB A 83 ARG H 1.0 2.0 3.6 717 702 A 82 VAL HGx% A 83 ARG H 1.0 2.0 5.4 718 703 A 82 VAL HGy% A 83 ARG H 1.0 2.0 5.4 719 704 A 83 ARG H A 83 ARG HA 1.0 2.0 3.6 720 705 A 83 ARG H A 83 ARG HBx 1.0 2.0 3.0 721 706 A 83 ARG H A 83 ARG HBy 1.0 2.0 3.6 722 707 A 79 LYS HA A 83 ARG H 1.0 2.0 4.2 723 708 A 80 ASP HA A 83 ARG H 1.0 2.0 3.4 724 709 A 81 PHE HA A 83 ARG H 1.0 2.0 4.4 725 710 A 81 PHE H A 83 ARG H 1.0 2.0 4.2 726 711 A 83 ARG HA A 84 LYS H 1.0 2.0 3.6 727 712 A 83 ARG H A 84 LYS H 1.0 2.0 2.8 728 713 A 83 ARG HBx A 84 LYS H 1.0 2.0 3.6 729 714 A 83 ARG HBy A 84 LYS H 1.0 2.0 3.6 730 715 A 84 LYS H A 84 LYS HA 1.0 2.0 2.8 731 716 A 84 LYS H A 84 LYS HBy 1.0 2.0 3.6 732 717 A 84 LYS H A 84 LYS HBx 1.0 2.0 3.6 733 718 A 61 ILE HG2% A 84 LYS H 1.0 3.0 6.4 734 719 A 80 ASP HA A 84 LYS H 1.0 2.0 4.2 735 720 A 81 PHE HA A 84 LYS H 1.0 2.0 3.4 736 721 A 82 VAL HA A 84 LYS H 1.0 2.0 4.4 737 722 A 82 VAL H A 84 LYS H 1.0 2.0 4.2 738 723 A 84 LYS HA A 85 ALA H 1.0 2.0 3.6 739 724 A 84 LYS H A 85 ALA H 1.0 2.0 2.8 740 725 A 84 LYS HBy A 85 ALA H 1.0 2.0 3.6 741 726 A 84 LYS HBx A 85 ALA H 1.0 2.0 3.6 742 727 A 85 ALA H A 85 ALA HA 1.0 2.0 2.8 743 728 A 85 ALA H A 85 ALA HB% 1.0 2.0 4.4 744 729 A 85 ALA H A 61 ILE HD1% 1.0 2.8 5.4 745 730 A 81 PHE HA A 85 ALA H 1.0 2.0 4.2 746 731 A 82 VAL HA A 85 ALA H 1.0 2.0 3.4 747 732 A 83 ARG HA A 85 ALA H 1.0 2.0 4.4 748 733 A 83 ARG H A 85 ALA H 1.0 2.0 4.2 749 734 A 90 LEU HDx% A 85 ALA H 1.0 2.0 6.8 750 735 A 85 ALA HA A 86 PHE H 1.0 2.0 3.6 751 736 A 85 ALA H A 86 PHE H 1.0 2.0 2.8 752 737 A 85 ALA HB% A 86 PHE H 1.0 2.0 4.6 753 738 A 86 PHE H A 86 PHE HA 1.0 2.0 2.8 754 739 A 86 PHE H A 86 PHE HBx 1.0 2.0 3.6 755 740 A 86 PHE H A 86 PHE HBy 1.0 2.0 3.6 756 741 A 86 PHE H A 91 ILE HD1% 1.0 4.0 6.8 757 742 A 86 PHE H A 91 ILE HG2% 1.0 4.0 6.8 758 743 A 82 VAL HA A 86 PHE H 1.0 2.0 4.2 759 744 A 83 ARG HA A 86 PHE H 1.0 2.0 3.4 760 745 A 84 LYS HA A 86 PHE H 1.0 2.0 4.4 761 746 A 84 LYS H A 86 PHE H 1.0 2.0 4.2 762 747 A 86 PHE HA A 87 GLN H 1.0 2.0 3.6 763 748 A 86 PHE H A 87 GLN H 1.0 2.0 2.8 764 749 A 86 PHE HBx A 87 GLN H 1.0 2.0 3.6 765 750 A 86 PHE HBy A 87 GLN H 1.0 2.0 3.6 766 751 A 87 GLN H A 87 GLN HA 1.0 2.0 2.8 767 752 A 87 GLN H A 87 GLN HBy 1.0 2.0 3.6 768 753 A 87 GLN H A 87 GLN HBx 1.0 2.0 3.6 769 754 A 87 GLN H A 87 GLN HGy 1.0 2.0 5.4 770 754 A 87 GLN H A 87 GLN HGx 1.0 2.0 5.4 771 755 A 83 ARG HA A 87 GLN H 1.0 2.0 4.2 772 756 A 84 LYS HA A 87 GLN H 1.0 2.0 3.4 773 757 A 85 ALA HA A 87 GLN H 1.0 2.0 4.4 774 758 A 85 ALA H A 87 GLN H 1.0 2.0 4.2 775 759 A 87 GLN HA A 88 LYS H 1.0 2.0 3.6 776 760 A 87 GLN H A 88 LYS H 1.0 2.0 2.8 777 761 A 87 GLN HBy A 88 LYS H 1.0 2.0 4.0 778 762 A 87 GLN HBx A 88 LYS H 1.0 2.0 3.6 779 763 A 88 LYS H A 88 LYS HA 1.0 2.0 2.8 780 764 A 88 LYS H A 88 LYS HBy 1.0 2.0 3.6 781 765 A 88 LYS H A 88 LYS HBx 1.0 2.0 3.6 782 766 A 88 LYS H A 88 LYS HGy 1.0 2.0 5.4 783 766 A 88 LYS H A 88 LYS HGx 1.0 2.0 5.4 784 767 A 85 ALA HA A 88 LYS H 1.0 2.4 3.8 785 768 A 86 PHE HA A 88 LYS H 1.0 2.0 4.4 786 769 A 86 PHE H A 88 LYS H 1.0 2.0 4.2 787 770 A 88 LYS HA A 89 GLY H 1.0 2.0 3.6 788 771 A 88 LYS H A 89 GLY H 1.0 2.2 2.8 789 772 A 88 LYS HBy A 89 GLY H 1.0 2.0 4.0 790 773 A 88 LYS HBx A 89 GLY H 1.0 2.0 3.6 791 774 A 89 GLY H A 89 GLY HAy 1.0 2.0 2.6 792 775 A 89 GLY H A 89 GLY HAx 1.0 2.0 2.9 793 776 A 87 GLN H A 89 GLY H 1.0 4.6 5.0 794 777 A 89 GLY HAy A 90 LEU H 1.0 2.0 3.6 795 778 A 89 GLY HAx A 90 LEU H 1.0 2.0 3.6 796 779 A 89 GLY H A 90 LEU H 1.0 2.2 2.8 797 780 A 90 LEU H A 90 LEU HA 1.0 2.0 2.8 798 781 A 90 LEU H A 90 LEU HBy 1.0 2.0 3.6 799 782 A 90 LEU H A 90 LEU HBx 1.0 2.0 3.6 800 783 A 90 LEU HDx% A 90 LEU H 1.0 2.0 6.0 801 784 A 90 LEU H A 90 LEU HDy% 1.0 2.0 6.0 802 785 A 85 ALA HA A 90 LEU H 1.0 3.2 4.0 803 786 A 90 LEU H A 85 ALA O 1.0 2.0 2.4 804 787 A 90 LEU H A 61 ILE HD1% 1.0 2.2 7.0 805 788 A 90 LEU HA A 91 ILE H 1.0 2.0 3.6 806 789 A 90 LEU H A 91 ILE H 1.0 2.2 2.4 807 790 A 90 LEU HBy A 91 ILE H 1.0 2.0 3.6 808 791 A 90 LEU HBx A 91 ILE H 1.0 2.0 3.6 809 792 A 90 LEU HDx% A 91 ILE H 1.0 2.0 6.6 810 793 A 90 LEU HDy% A 91 ILE H 1.0 2.0 6.6 811 794 A 91 ILE H A 91 ILE HA 1.0 2.0 2.8 812 795 A 91 ILE HG2% A 91 ILE H 1.0 2.0 4.8 813 796 A 91 ILE H A 91 ILE HD1% 1.0 2.0 6.4 814 797 A 86 PHE HA A 91 ILE H 1.0 2.6 3.2 815 798 A 89 GLY HAx A 91 ILE H 1.0 4.0 4.8 816 799 A 89 GLY H A 91 ILE H 1.0 3.8 4.6 817 800 A 85 ALA HA A 91 ILE H 1.0 4.4 4.6 818 801 A 91 ILE HA A 92 SER H 1.0 2.0 2.4 819 802 A 91 ILE H A 92 SER H 1.0 2.0 4.6 820 803 A 91 ILE HG2% A 92 SER H 1.0 2.0 5.4 821 804 A 91 ILE HD1% A 92 SER H 1.0 2.0 6.8 822 805 A 92 SER H A 92 SER HA 1.0 2.0 2.9 823 806 A 92 SER H A 92 SER HBy 1.0 2.0 4.0 824 807 A 92 SER H A 92 SER HBx 1.0 2.0 4.0 825 808 A 92 SER HA A 93 GLN H 1.0 2.2 2.6 826 809 A 92 SER H A 93 GLN H 1.0 3.8 4.6 827 810 A 92 SER HA A 93 GLN H 1.0 2.2 2.6 828 811 A 92 SER H A 93 GLN H 1.0 3.8 4.6 829 812 A 92 SER HBy A 93 GLN H 1.0 2.0 3.6 830 813 A 92 SER HBx A 93 GLN H 1.0 2.0 3.6 831 814 A 93 GLN H A 93 GLN HA 1.0 2.0 2.8 832 815 A 93 GLN H A 93 GLN HBy 1.0 2.0 4.2 833 816 A 93 GLN H A 93 GLN HBx 1.0 2.0 4.2 834 817 A 93 GLN HA A 94 GLN H 1.0 2.0 3.6 835 818 A 93 GLN H A 94 GLN H 1.0 2.0 2.8 836 819 A 93 GLN HBy A 94 GLN H 1.0 2.0 4.2 837 820 A 93 GLN HBx A 94 GLN H 1.0 2.0 4.2 838 821 A 94 GLN H A 94 GLN HA 1.0 2.0 2.8 839 822 A 94 GLN H A 94 GLN HBy 1.0 2.0 3.6 840 823 A 94 GLN H A 94 GLN HBx 1.0 2.0 3.6 841 824 A 94 GLN HA A 95 GLU H 1.0 2.0 3.6 842 825 A 94 GLN H A 95 GLU H 1.0 2.0 2.8 843 826 A 94 GLN HBy A 95 GLU H 1.0 2.0 4.2 844 827 A 94 GLN HBx A 95 GLU H 1.0 2.0 4.2 845 828 A 95 GLU H A 95 GLU HA 1.0 2.0 2.8 846 829 A 95 GLU H A 95 GLU HBy 1.0 2.0 3.6 847 830 A 95 GLU H A 95 GLU HBx 1.0 2.0 3.6 848 831 A 93 GLN H A 95 GLU H 1.0 2.4 4.6 849 832 A 93 GLN HA A 95 GLU H 1.0 2.2 4.6 850 833 A 92 SER H A 95 GLU H 1.0 4.0 4.6 851 834 A 95 GLU HA A 96 ALA H 1.0 2.0 3.6 852 835 A 95 GLU H A 96 ALA H 1.0 2.0 2.8 853 836 A 95 GLU HBy A 96 ALA H 1.0 2.0 4.2 854 837 A 95 GLU HBx A 96 ALA H 1.0 2.0 4.2 855 838 A 96 ALA H A 96 ALA HA 1.0 2.0 2.8 856 839 A 96 ALA HB% A 96 ALA H 1.0 2.0 4.6 857 840 A 91 ILE HG2% A 96 ALA H 1.0 2.4 5.8 858 841 A 94 GLN H A 96 ALA H 1.0 2.2 4.4 859 842 A 94 GLN HA A 96 ALA H 1.0 2.0 4.4 860 843 A 93 GLN HA A 96 ALA H 1.0 2.3 3.8 861 844 A 92 SER H A 96 ALA H 1.0 4.0 4.8 862 845 A 96 ALA HA A 97 ASN H 1.0 2.0 3.6 863 846 A 96 ALA H A 97 ASN H 1.0 2.0 2.8 864 847 A 96 ALA HB% A 97 ASN H 1.0 2.0 4.8 865 848 A 97 ASN H A 97 ASN HA 1.0 2.0 2.8 866 849 A 97 ASN H A 97 ASN HBx 1.0 2.0 3.6 867 850 A 97 ASN H A 97 ASN HBy 1.0 2.0 3.6 868 851 A 95 GLU H A 97 ASN H 1.0 2.0 4.2 869 852 A 95 GLU HA A 97 ASN H 1.0 2.0 4.4 870 853 A 94 GLN HA A 97 ASN H 1.0 2.0 3.5 871 854 A 97 ASN HA A 98 GLN H 1.0 2.0 3.6 872 855 A 97 ASN H A 98 GLN H 1.0 2.0 2.8 873 856 A 97 ASN HBx A 98 GLN H 1.0 2.0 4.2 874 857 A 97 ASN HBy A 98 GLN H 1.0 2.0 4.2 875 858 A 98 GLN H A 98 GLN HA 1.0 2.0 2.8 876 859 A 98 GLN H A 98 GLN HBy 1.0 2.0 4.0 877 860 A 98 GLN H A 98 GLN HBx 1.0 2.0 4.0 878 861 A 94 GLN HA A 98 GLN H 1.0 2.0 4.2 879 862 A 95 GLU HA A 98 GLN H 1.0 2.0 3.4 880 863 A 96 ALA HA A 98 GLN H 1.0 2.0 4.4 881 864 A 96 ALA H A 98 GLN H 1.0 2.0 4.2 882 865 A 98 GLN HA A 99 TRP H 1.0 2.0 3.6 883 866 A 98 GLN H A 99 TRP H 1.0 2.0 2.8 884 867 A 98 GLN HBy A 99 TRP H 1.0 2.0 3.6 885 868 A 98 GLN HBx A 99 TRP H 1.0 2.0 3.6 886 869 A 99 TRP H A 99 TRP HA 1.0 2.0 2.8 887 870 A 99 TRP H A 99 TRP HBy 1.0 2.0 3.0 888 871 A 99 TRP H A 99 TRP HBx 1.0 2.0 3.0 889 872 A 95 GLU HA A 99 TRP H 1.0 2.0 4.2 890 873 A 96 ALA HA A 99 TRP H 1.0 2.0 3.4 891 874 A 97 ASN HA A 99 TRP H 1.0 2.0 4.4 892 875 A 97 ASN H A 99 TRP H 1.0 2.0 4.2 893 876 A 99 TRP HA A 100 LEU H 1.0 2.0 3.6 894 877 A 99 TRP H A 100 LEU H 1.0 2.0 2.8 895 878 A 99 TRP HBy A 100 LEU H 1.0 2.0 3.6 896 879 A 99 TRP HBx A 100 LEU H 1.0 2.0 3.6 897 880 A 100 LEU H A 99 TRP HE3 1.0 3.4 4.0 898 881 A 100 LEU H A 100 LEU HA 1.0 2.0 2.8 899 882 A 100 LEU H A 100 LEU HBy 1.0 2.4 4.4 900 883 A 100 LEU H A 100 LEU HBx 1.0 2.4 4.4 901 884 A 100 LEU HDx% A 100 LEU H 1.0 2.0 5.4 902 885 A 100 LEU HDy% A 100 LEU H 1.0 2.0 5.4 903 886 A 96 ALA HA A 100 LEU H 1.0 2.0 4.2 904 887 A 97 ASN HA A 100 LEU H 1.0 2.0 3.4 905 888 A 98 GLN HA A 100 LEU H 1.0 2.0 4.4 906 889 A 98 GLN H A 100 LEU H 1.0 2.0 4.2 907 890 A 100 LEU HA A 101 SER H 1.0 2.0 3.6 908 891 A 100 LEU H A 101 SER H 1.0 2.0 2.8 909 892 A 100 LEU HBy A 101 SER H 1.0 2.0 3.6 910 893 A 100 LEU HBx A 101 SER H 1.0 2.0 3.6 911 894 A 101 SER H A 101 SER HA 1.0 2.0 2.8 912 895 A 101 SER H A 101 SER HBx 1.0 2.4 4.4 913 896 A 101 SER H A 101 SER HBy 1.0 2.4 4.4 914 897 A 97 ASN HA A 101 SER H 1.0 2.0 4.2 915 898 A 98 GLN HA A 101 SER H 1.0 2.0 3.4 916 899 A 99 TRP HA A 101 SER H 1.0 2.0 4.4 917 900 A 99 TRP H A 101 SER H 1.0 2.0 4.2 918 901 A 101 SER H A 101 SER HA 1.0 2.0 2.8 919 902 A 101 SER H A 101 SER HBx 1.0 2.4 4.4 920 903 A 101 SER H A 101 SER HBy 1.0 2.4 4.4 921 904 A 101 SER HA A 102 SER H 1.0 2.0 3.6 922 905 A 101 SER H A 102 SER H 1.0 2.0 2.8 923 906 A 101 SER HBx A 102 SER H 1.0 2.0 3.6 924 907 A 101 SER HBy A 102 SER H 1.0 2.0 3.6 925 908 A 102 SER H A 102 SER HA 1.0 2.0 2.8 926 909 A 102 SER H A 102 SER HBy 1.0 2.4 4.4 927 910 A 102 SER H A 102 SER HBx 1.0 2.4 4.4 928 911 A 21 LEU HA A 21 LEU HDx% 1.0 2.0 3.8 929 912 A 21 LEU HA A 21 LEU HDy% 1.0 2.0 5.0 930 913 A 22 TRP HA A 27 THR HA 1.0 2.6 3.2 931 914 A 22 TRP HA A 27 THR HB 1.0 2.4 2.8 932 915 A 22 TRP HBy A 27 THR HB 1.0 1.4 4.8 933 916 A 19 VAL HA A 22 TRP HBx 1.0 2.8 4.4 934 917 A 19 VAL HA A 22 TRP HBy 1.0 2.6 4.4 935 918 A 50 LYS HA A 66 SER HA 1.0 2.1 2.3 936 919 A 50 LYS HBx A 66 SER HA 1.0 2.0 5.2 937 920 A 50 LYS HBy A 66 SER HA 1.0 2.0 5.2 938 921 A 50 LYS HA A 66 SER HBy 1.0 2.0 5.2 939 922 A 50 LYS HA A 66 SER HBx 1.0 2.0 5.2 940 923 A 36 PHE HA A 53 MET HA 1.0 2.1 2.3 941 924 A 36 PHE HBx A 53 MET HA 1.0 2.0 5.2 942 925 A 36 PHE HBy A 53 MET HA 1.0 2.0 5.2 943 926 A 77 THR HG2% A 53 MET HA 1.0 2.0 6.2 944 927 A 36 PHE HA A 53 MET HBx 1.0 2.0 5.2 945 928 A 36 PHE HA A 53 MET HBy 1.0 2.0 5.2 946 929 A 36 PHE HA A 77 THR HG2% 1.0 2.0 6.2 947 930 A 38 VAL HA A 51 GLY HAx 1.0 2.2 2.4 948 931 A 38 VAL HA A 51 GLY HAy 1.0 2.0 2.8 949 932 A 38 VAL HGy% A 51 GLY HAy 1.0 2.0 4.4 950 933 A 38 VAL HGy% A 51 GLY HAx 1.0 2.0 5.4 951 934 A 50 LYS HA A 73 VAL HGx% 1.0 2.0 6.4 952 935 A 50 LYS HA A 73 VAL HGy% 1.0 2.0 7.4 953 936 A 26 LYS HA A 35 LYS HA 1.0 2.2 2.4 954 937 A 26 LYS HA A 36 PHE HBx 1.0 4.2 4.8 955 938 A 26 LYS HA A 36 PHE HBy 1.0 4.6 5.8 956 939 A 35 LYS HBy A 36 PHE HA 1.0 2.2 5.4 957 940 A 54 TRP HA A 62 ARG HA 1.0 2.8 3.2 958 941 A 54 TRP HBx A 62 ARG HA 1.0 2.0 4.4 959 942 A 54 TRP HBy A 62 ARG HA 1.0 2.0 4.4 960 943 A 54 TRP HA A 62 ARG HBx 1.0 2.0 5.0 961 944 A 54 TRP HA A 62 ARG HBy 1.0 2.0 5.0 962 945 A 25 GLU HA A 37 THR HA 1.0 2.0 5.4 963 946 A 25 GLU HBx A 37 THR HA 1.0 2.4 4.8 964 947 A 25 GLU HBy A 37 THR HA 1.0 2.4 4.8 965 948 A 25 GLU HA A 37 THR HG2% 1.0 2.0 6.0 966 949 A 64 GLU HA A 52 ARG HA 1.0 2.2 2.4 967 950 A 77 THR HG2% A 64 GLU HA 1.0 3.0 4.0 968 951 A 77 THR HG2% A 52 ARG HA 1.0 3.0 4.0 969 952 A 64 GLU HA A 52 ARG HDx 1.0 2.0 5.0 970 953 A 64 GLU HA A 52 ARG HDy 1.0 2.0 5.0 971 954 A 77 THR HG2% A 64 GLU HA 1.0 2.0 5.0 972 955 A 52 ARG HA A 64 GLU HGy 1.0 2.0 5.0 973 956 A 52 ARG HA A 64 GLU HGx 1.0 2.0 5.0 974 957 A 77 THR HG2% A 52 ARG HA 1.0 2.0 5.0 975 958 A 28 GLU HA A 33 GLU HA 1.0 2.0 2.8 976 959 A 34 CYS HA A 55 CYS HA 1.0 2.0 2.4 977 960 A 55 CYS HA A 34 CYS HBy 1.0 2.4 5.4 978 961 A 34 CYS HBx A 55 CYS HA 1.0 2.4 5.4 979 962 A 34 CYS HA A 55 CYS HBy 1.0 3.0 5.4 980 963 A 34 CYS HA A 55 CYS HBx 1.0 2.4 4.8 981 964 A 40 PRO HA A 49 TYR HA 1.0 2.2 2.4 982 965 A 40 PRO HA A 49 TYR HBy 1.0 2.0 5.0 983 966 A 40 PRO HA A 49 TYR HBx 1.0 2.0 5.0 984 967 A 40 PRO HBy A 49 TYR HA 1.0 2.0 5.0 985 968 A 40 PRO HBx A 49 TYR HA 1.0 2.0 5.0 986 969 A 47 VAL HA A 42 LEU HA 1.0 2.3 2.6 987 970 A 47 VAL HGx% A 42 LEU HA 1.0 2.0 7.0 988 971 A 42 LEU HA A 47 VAL HGy% 1.0 2.0 7.0 989 972 A 7 TRP HA A 10 VAL HB 1.0 2.0 4.0 990 973 A 8 GLU HA A 11 ALA HB% 1.0 2.0 5.0 991 974 A 94 GLN HA A 97 ASN HBx 1.0 2.0 5.0 992 975 A 94 GLN HA A 97 ASN HBy 1.0 2.0 5.0 993 976 A 96 ALA HA A 99 TRP HBy 1.0 2.0 4.4 994 977 A 96 ALA HA A 99 TRP HBx 1.0 2.0 4.6 995 978 A 96 ALA HB% A 91 ILE HG2% 1.0 2.2 6.4 996 979 A 83 ARG HA A 86 PHE HBx 1.0 2.0 3.6 997 980 A 83 ARG HA A 86 PHE HBy 1.0 2.0 3.6 998 981 A 76 LYS HA A 79 LYS HBy 1.0 2.0 5.4 999 981 A 76 LYS HA A 79 LYS HBx 1.0 2.0 5.4 1000 982 A 16 SER HA A 19 VAL HB 1.0 2.0 6.4 1001 983 A 84 LYS HA A 87 GLN HBy 1.0 2.0 4.4 1002 984 A 84 LYS HA A 87 GLN HBx 1.0 2.0 4.6 1003 985 A 77 THR HG2% A 74 ALA HA 1.0 2.0 6.0 1004 986 A 59 THR HB A 90 LEU HDx% 1.0 2.0 5.0 1005 987 A 59 THR HB A 90 LEU HDy% 1.0 2.4 5.4 1006 988 A 67 THR HG2% A 73 VAL HA 1.0 2.4 4.6 1007 989 A 67 THR HG2% A 73 VAL HB 1.0 2.8 5.0 1008 990 A 65 ALA HB% A 77 THR HA 1.0 2.8 4.8 1009 991 A 85 ALA HA A 61 ILE HD1% 1.0 2.2 4.8 1010 992 A 85 ALA HB% A 61 ILE HD1% 1.0 2.0 6.8 1011 993 A 90 LEU HDx% A 61 ILE HD1% 1.0 2.0 6.8 1012 994 A 85 ALA HA A 90 LEU HBx 1.0 3.0 3.8 1013 995 A 85 ALA HA A 90 LEU HG 1.0 3.8 4.4 1014 996 A 85 ALA HA A 90 LEU HBy 1.0 3.8 4.4 1015 997 A 90 LEU HDx% A 85 ALA HA 1.0 4.4 6.4 1016 998 A 49 TYR HBy A 67 THR HG2% 1.0 2.0 5.4 1017 999 A 49 TYR HBx A 67 THR HG2% 1.0 2.0 5.4 1018 1000 A 85 ALA HB% A 91 ILE HD1% 1.0 2.8 6.8 1019 1001 A 77 THR HG2% A 53 MET HBx 1.0 2.0 5.0 1020 1002 A 77 THR HG2% A 53 MET HGx 1.0 2.0 5.0 1021 1003 A 91 ILE HD1% A 29 LEU HDx% 1.0 2.4 7.2 1022 1004 A 29 LEU HA A 99 TRP HZ2 1.0 1.6 2.8 1023 1005 A 29 LEU HA A 99 TRP HE1 1.0 2.4 4.4 1024 1006 A 29 LEU HA A 99 TRP HH2 1.0 3.8 4.8 1025 1007 A 99 TRP HZ2 A 29 LEU HDy% 1.0 3.8 5.4 1026 1008 A 99 TRP HH2 A 29 LEU HDy% 1.0 3.8 5.4 1027 1009 A 29 LEU HDy% A 99 TRP HZ3 1.0 4.0 5.6 1028 1010 A 99 TRP HE3 A 29 LEU HDy% 1.0 4.4 6.8 1029 1011 A 30 LEU H A 99 TRP HZ2 1.0 2.4 4.0 1030 1012 A 30 LEU H A 99 TRP HE1 1.0 2.4 3.0 1031 1013 A 30 LEU HA A 99 TRP HE1 1.0 3.4 4.0 1032 1014 A 30 LEU H A 99 TRP HD1 1.0 1.8 3.4 1033 1015 A 30 LEU HA A 99 TRP HD1 1.0 2.4 3.0 1034 1016 A 30 LEU HDx% A 99 TRP HD1 1.0 3.4 5.8 1035 1017 A 31 GLY H A 99 TRP HD1 1.0 3.4 4.0 1036 1018 A 31 GLY H A 99 TRP HE1 1.0 2.8 4.8 1037 1019 A 21 LEU HDy% A 99 TRP HZ2 1.0 2.2 4.6 1038 1020 A 14 VAL HA A 99 TRP HE3 1.0 3.0 4.6 1039 1021 A 14 VAL HA A 99 TRP HZ3 1.0 2.4 3.0 1040 1022 A 14 VAL HGx% A 99 TRP HZ3 1.0 2.4 5.0 1041 1023 A 14 VAL HGx% A 99 TRP HE3 1.0 3.0 5.8 1042 1024 A 77 THR HB A 36 PHE HD% 1.0 2.0 6.8 1043 1025 A 77 THR HB A 36 PHE HE% 1.0 2.0 5.8 1044 1026 A 74 ALA HA A 36 PHE HD% 1.0 2.0 6.4 1045 1027 A 74 ALA HA A 36 PHE HE% 1.0 2.0 6.8 1046 1028 A 19 VAL HA A 36 PHE HE% 1.0 2.0 6.8 1047 1029 A 19 VAL HGx% A 36 PHE HE% 1.0 3.0 7.8 1048 1030 A 19 VAL HGy% A 36 PHE HE% 1.0 3.0 7.8 1049 1031 A 74 ALA HB% A 36 PHE HE% 1.0 3.0 6.8 1050 1032 A 36 PHE HE% A 78 ALA HB% 1.0 3.0 6.8 1051 1033 A 61 ILE HG2% A 81 PHE HDy 1.0 2.0 5.6 1052 1034 A 61 ILE HG2% A 81 PHE HEy 1.0 2.0 5.8 1053 1035 A 59 THR HG2% A 81 PHE HZ 1.0 2.0 5.8 1054 1036 A 59 THR HG2% A 81 PHE HEy 1.0 1.0 4.8 1055 1037 A 59 THR HG2% A 81 PHE HEy 1.0 1.0 4.8 1056 1038 A 59 THR HG2% A 81 PHE HZ 1.0 2.0 4.2 1057 1039 A 55 CYS HBx A 59 THR HG2% 1.0 3.0 5.8 1058 1040 A 59 THR HG2% A 58 TRP HE3 1.0 3.0 5.8 1059 1041 A 59 THR HG2% A 90 LEU HDx% 1.0 3.0 5.8 1060 1042 A 59 THR HG2% A 90 LEU HDy% 1.0 4.2 7.0 1061 1043 A 58 TRP HBy A 32 HIS HD2 1.0 2.4 4.8 1062 1044 A 58 TRP HBx A 32 HIS HD2 1.0 2.4 4.8 1063 1045 A 55 CYS HBy A 58 TRP HE3 1.0 2.0 4.0 1064 1046 A 55 CYS HBx A 58 TRP HE3 1.0 2.0 4.0 1065 1047 A 90 LEU HDx% A 58 TRP HD1 1.0 2.0 6.8 1066 1048 A 90 LEU HDy% A 58 TRP HD1 1.0 2.0 6.8 1067 1049 A 90 LEU HDx% A 58 TRP HZ2 1.0 1.6 6.4 1068 1050 A 90 LEU HDy% A 58 TRP HZ2 1.0 1.6 6.4 1069 1051 A 91 ILE HD1% A 58 TRP HH2 1.0 2.8 6.8 1070 1052 A 91 ILE HG2% A 58 TRP HH2 1.0 2.8 6.8 1071 1053 A 30 LEU HDy% A 58 TRP HZ2 1.0 2.0 4.0 1072 1054 A 38 VAL HA A 73 VAL HGx% 1.0 4.4 6.8 1073 1055 A 99 TRP HZ2 A 17 LYS HBx 1.0 2.4 5.8 1074 1055 A 17 LYS HBy A 99 TRP HZ2 1.0 2.4 5.8 1075 1056 A 75 GLY HAx A 78 ALA HB% 1.0 3.0 5.0 1076 1057 A 19 VAL HGx% A 75 GLY HAx 1.0 4.4 6.8 1077 1058 A 19 VAL HGy% A 75 GLY HAx 1.0 3.0 5.4 1078 1059 A 19 VAL HGy% A 74 ALA HB% 1.0 3.0 5.4 1079 1060 A 15 ALA HB% A 79 LYS HA 1.0 3.0 5.0 1080 1061 A 30 LEU HBy A 32 HIS HD2 1.0 1.6 3.2 1081 1062 A 32 HIS HD2 A 30 LEU HBx 1.0 1.6 3.2 1082 1063 A 30 LEU HDx% A 95 GLU HGx 1.0 2.6 7.4 1083 1063 A 30 LEU HDx% A 95 GLU HGy 1.0 2.6 7.4 1084 1064 A 30 LEU HDy% A 95 GLU HGx 1.0 2.6 7.4 1085 1064 A 30 LEU HDy% A 95 GLU HGy 1.0 2.6 7.4 1086 1065 A 92 SER HA A 86 PHE HD% 1.0 4.4 6.8 1087 1066 A 96 ALA HB% A 86 PHE HZ 1.0 4.0 6.4 1088 1067 A 92 SER H A 95 GLU HBy 1.0 2.6 3.4 1089 1068 A 92 SER H A 95 GLU HBx 1.0 2.6 3.4 1090 1069 A 96 ALA HB% A 92 SER H 1.0 4.0 6.8 1091 1070 A 93 GLN H A 96 ALA H 1.0 4.6 5.0 1092 1071 A 38 VAL HB A 22 TRP HH2 1.0 2.0 4.0 1093 1072 A 38 VAL HGy% A 22 TRP HH2 1.0 2.0 5.8 1094 1073 A 38 VAL HB A 22 TRP HZ2 1.0 2.4 4.4 1095 1074 A 22 TRP HD1 A 26 LYS H 1.0 2.6 3.2 1096 1075 A 38 VAL H A 22 TRP HZ2 1.0 2.4 3.0 1097 1076 A 19 VAL HA A 22 TRP HE3 1.0 3.0 3.6 1098 1077 A 19 VAL HGx% A 22 TRP HE3 1.0 3.6 6.0 1099 1078 A 74 ALA HB% A 22 TRP HZ3 1.0 3.4 5.8 1100 1079 A 74 ALA HB% A 22 TRP HE3 1.0 3.4 5.8 1101 1080 A 36 PHE HD% A 18 ILE HD1% 1.0 2.0 5.8 1102 1081 A 70 GLN HA A 73 VAL HGx% 1.0 4.0 5.8 1103 1082 A 49 TYR HEx A 40 PRO HGy 1.0 4.4 4.4 1104 1083 A 40 PRO HBy A 49 TYR HEx 1.0 2.4 4.4 1105 1084 A 70 GLN HBy A 49 TYR HEx 1.0 2.0 4.4 1106 1085 A 49 TYR HEx A 70 GLN HGx 1.0 2.0 4.4 1107 1086 A 50 LYS HBx A 41 TYR HEy 1.0 2.0 3.0 1108 1087 A 50 LYS HBy A 41 TYR HEy 1.0 2.0 3.0 1109 1088 A 59 THR HG2% A 61 ILE HD1% 1.0 4.4 7.4 1110 1089 A 90 LEU HDx% A 61 ILE HD1% 1.0 3.0 6.8 1111 1090 A 46 GLN HBx A 48 TYR HEx 1.0 2.0 2.8 1112 1091 A 46 GLN HBy A 48 TYR HEx 1.0 2.4 3.4 1113 1092 A 46 GLN HBx A 48 TYR HDx 1.0 3.0 4.4 1114 1093 A 46 GLN HBy A 48 TYR HDx 1.0 3.0 4.4 1115 1094 A 47 VAL HA A 48 TYR HDx 1.0 3.8 4.4 1116 1095 A 67 THR HA A 48 TYR HDy 1.0 3.0 4.4 1117 1096 A 68 ARG H A 48 TYR HDy 1.0 3.4 4.8 1118 1097 A 47 VAL HGx% A 49 TYR HDy 1.0 2.4 4.8 1119 1098 A 47 VAL HGx% A 49 TYR HEy 1.0 2.4 4.8 1120 1099 A 56 PRO HDx A 54 TRP HD1 1.0 2.0 3.4 1121 1100 A 56 PRO HDy A 54 TRP HD1 1.0 2.0 3.4 1122 1101 A 56 PRO HDx A 54 TRP HD1 1.0 2.0 3.4 1123 1102 A 56 PRO HDy A 54 TRP HD1 1.0 2.0 3.4 1124 1103 A 35 LYS HBy A 54 TRP HZ2 1.0 2.4 4.8 1125 1104 A 35 LYS HBx A 54 TRP HZ2 1.0 2.4 4.8 1126 1105 A 99 TRP HZ3 A 17 LYS HGy 1.0 3.8 4.8 1127 1106 A 99 TRP HE3 A 17 LYS HGx 1.0 3.8 4.8 1128 1107 A 99 TRP HZ3 A 17 LYS HBx 1.0 2.0 3.0 1129 1108 A 17 LYS HBy A 99 TRP HZ3 1.0 2.4 4.4 1130 1109 A 99 TRP HE3 A 17 LYS HBx 1.0 2.0 3.4 1131 1110 A 18 ILE HA A 99 TRP HH2 1.0 2.0 3.6 1132 1111 A 18 ILE HG1x A 99 TRP HH2 1.0 2.2 3.6 1133 1112 A 18 ILE H A 99 TRP HH2 1.0 3.0 3.6 1134 1113 A 18 ILE H A 99 TRP HH2 1.0 3.0 3.6 1135 1114 A 18 ILE H A 99 TRP HZ3 1.0 3.6 4.4 1136 1115 A 96 ALA HA A 99 TRP HE3 1.0 3.8 4.0 1137 1116 A 13 ALA HB% A 100 LEU HDx% 1.0 2.8 5.4 1138 1117 A 13 ALA HB% A 100 LEU HDy% 1.0 2.8 5.4 1139 1118 A 27 THR H A 34 CYS O 1.0 1.9 2.4 1140 1119 A 34 CYS H A 27 THR O 1.0 1.9 2.4 1141 1120 A 53 MET H A 63 GLY O 1.0 1.9 2.4 1142 1121 A 65 ALA H A 51 GLY O 1.0 1.9 2.4 1143 1122 A 51 GLY H A 65 ALA O 1.0 1.9 2.4 1144 1123 A 48 TYR H A 41 TYR O 1.0 1.9 2.4 1145 1124 A 41 TYR H A 48 TYR O 1.0 1.9 2.4 1146 1125 A 39 LYS H A 50 LYS O 1.0 1.9 2.4 1147 1126 A 37 THR H A 52 ARG O 1.0 1.9 2.4 1148 1127 A 52 ARG H A 37 THR O 1.0 1.9 2.4 1149 1128 A 35 LYS H A 54 TRP O 1.0 1.9 2.4 1150 1129 A 54 TRP H A 35 LYS O 1.0 1.9 2.4 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _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 6 GLY HAx A 6 GLY H 1.0 2.1 2.9 2 2 A 6 GLY H A 6 GLY HAy 1.0 2.0 2.8 3 3 A 6 GLY HAx A 7 TRP H 1.0 2.0 3.4 4 4 A 6 GLY HAy A 7 TRP H 1.0 2.0 3.6 5 5 A 6 GLY H A 7 TRP H 1.0 2.2 3.2 6 6 A 7 TRP H A 7 TRP HA 1.0 1.8 2.8 7 7 A 7 TRP H A 7 TRP HBy 1.0 2.0 3.6 8 8 A 7 TRP H A 7 TRP HBx 1.0 2.0 3.6 9 9 A 7 TRP HA A 8 GLU H 1.0 2.0 3.6 10 10 A 7 TRP HBy A 8 GLU H 1.0 1.8 4.4 11 11 A 7 TRP HBx A 8 GLU H 1.0 1.8 4.4 12 12 A 7 TRP H A 8 GLU H 1.0 2.0 2.8 13 13 A 8 GLU H A 8 GLU HA 1.0 2.0 2.8 14 14 A 8 GLU H A 8 GLU HBx 1.0 2.0 3.4 15 15 A 8 GLU H A 8 GLU HBy 1.0 2.0 3.4 16 16 A 6 GLY HAy A 8 GLU H 1.0 2.0 4.8 17 17 A 6 GLY H A 8 GLU H 1.0 2.0 4.6 18 18 A 8 GLU HA A 9 ALA H 1.0 2.0 3.5 19 19 A 8 GLU H A 9 ALA H 1.0 2.0 2.8 20 20 A 9 ALA H A 8 GLU HBx 1.0 2.0 5.4 21 20 A 9 ALA H A 8 GLU HBy 1.0 2.0 5.4 22 21 A 9 ALA H A 9 ALA HA 1.0 1.8 2.7 23 22 A 9 ALA H A 9 ALA HB% 1.0 1.8 4.4 24 23 A 7 TRP HA A 9 ALA H 1.0 1.6 4.4 25 24 A 7 TRP H A 9 ALA H 1.0 1.4 4.2 26 25 A 6 GLY HAy A 9 ALA H 1.0 2.0 4.0 27 26 A 9 ALA HA A 10 VAL H 1.0 2.0 3.5 28 27 A 9 ALA HB% A 10 VAL H 1.0 2.0 4.8 29 28 A 9 ALA H A 10 VAL H 1.0 2.0 2.8 30 29 A 10 VAL H A 10 VAL HA 1.0 2.0 2.7 31 30 A 10 VAL H A 10 VAL HB 1.0 2.0 2.8 32 31 A 10 VAL H A 10 VAL HGx% 1.0 2.0 5.4 33 32 A 10 VAL H A 10 VAL HGy% 1.0 2.0 4.4 34 33 A 7 TRP HA A 10 VAL H 1.0 2.0 3.4 35 34 A 8 GLU HA A 10 VAL H 1.0 2.0 4.4 36 35 A 8 GLU H A 10 VAL H 1.0 2.0 4.2 37 36 A 10 VAL HA A 11 ALA H 1.0 2.0 3.5 38 37 A 10 VAL H A 11 ALA H 1.0 2.0 2.8 39 38 A 10 VAL HB A 11 ALA H 1.0 2.0 2.8 40 39 A 10 VAL HGx% A 11 ALA H 1.0 2.0 5.0 41 40 A 10 VAL HGy% A 11 ALA H 1.0 2.0 5.8 42 41 A 11 ALA H A 11 ALA HA 1.0 2.0 2.7 43 42 A 11 ALA H A 11 ALA HB% 1.0 2.0 5.0 44 43 A 7 TRP HA A 11 ALA H 1.0 2.0 4.2 45 44 A 8 GLU HA A 11 ALA H 1.0 2.0 3.4 46 45 A 9 ALA HA A 11 ALA H 1.0 2.0 4.4 47 46 A 9 ALA H A 11 ALA H 1.0 2.0 4.2 48 47 A 11 ALA HA A 12 ALA H 1.0 2.0 3.6 49 48 A 11 ALA H A 12 ALA H 1.0 2.0 2.8 50 49 A 11 ALA HB% A 12 ALA H 1.0 2.0 5.0 51 50 A 12 ALA H A 12 ALA HA 1.0 2.0 2.7 52 51 A 12 ALA H A 12 ALA HB% 1.0 2.0 5.0 53 52 A 8 GLU HA A 12 ALA H 1.0 2.0 4.2 54 53 A 9 ALA HA A 12 ALA H 1.0 2.0 3.4 55 54 A 10 VAL HA A 12 ALA H 1.0 2.0 4.4 56 55 A 10 VAL H A 12 ALA H 1.0 2.0 4.2 57 56 A 12 ALA HA A 13 ALA H 1.0 2.0 3.6 58 57 A 12 ALA H A 13 ALA H 1.0 2.0 2.8 59 58 A 12 ALA HB% A 13 ALA H 1.0 2.0 5.0 60 59 A 13 ALA H A 13 ALA HA 1.0 2.0 2.7 61 60 A 13 ALA H A 13 ALA HB% 1.0 2.0 5.0 62 61 A 9 ALA HA A 13 ALA H 1.0 2.0 4.2 63 62 A 10 VAL HA A 13 ALA H 1.0 2.0 3.4 64 63 A 11 ALA HA A 13 ALA H 1.0 2.0 4.4 65 64 A 11 ALA H A 13 ALA H 1.0 2.0 4.2 66 65 A 13 ALA HA A 14 VAL H 1.0 2.0 3.6 67 66 A 13 ALA H A 14 VAL H 1.0 2.0 2.8 68 67 A 13 ALA HB% A 14 VAL H 1.0 2.0 5.0 69 68 A 14 VAL H A 14 VAL HA 1.0 2.0 2.7 70 69 A 14 VAL H A 14 VAL HB 1.0 2.0 2.6 71 70 A 14 VAL H A 14 VAL HGx% 1.0 2.0 5.8 72 71 A 14 VAL H A 14 VAL HGy% 1.0 2.0 4.4 73 72 A 14 VAL H A 100 LEU HDx% 1.0 2.4 5.4 74 73 A 14 VAL H A 100 LEU HDy% 1.0 2.6 6.0 75 74 A 14 VAL HB A 82 VAL HGx% 1.0 3.2 5.4 76 75 A 14 VAL HB A 82 VAL HGy% 1.0 3.0 6.8 77 76 A 14 VAL HGy% A 96 ALA HB% 1.0 2.2 6.2 78 77 A 10 VAL HA A 14 VAL H 1.0 2.0 4.2 79 78 A 11 ALA HA A 14 VAL H 1.0 2.0 3.4 80 79 A 12 ALA HA A 14 VAL H 1.0 2.0 4.4 81 80 A 12 ALA H A 14 VAL H 1.0 2.0 4.2 82 81 A 14 VAL HA A 15 ALA H 1.0 2.0 3.6 83 82 A 14 VAL H A 15 ALA H 1.0 2.0 2.8 84 83 A 14 VAL HB A 15 ALA H 1.0 2.0 3.0 85 84 A 14 VAL HGx% A 15 ALA H 1.0 1.4 4.8 86 85 A 14 VAL HGy% A 15 ALA H 1.0 1.0 5.8 87 86 A 15 ALA H A 15 ALA HA 1.0 2.0 2.7 88 87 A 15 ALA H A 15 ALA HB% 1.0 2.0 4.8 89 88 A 15 ALA H A 82 VAL HB 1.0 2.0 5.0 90 89 A 82 VAL HGx% A 15 ALA H 1.0 2.4 6.0 91 90 A 82 VAL HGy% A 15 ALA H 1.0 2.8 5.4 92 91 A 82 VAL HGy% A 15 ALA HA 1.0 3.2 5.4 93 92 A 11 ALA HA A 15 ALA H 1.0 2.0 4.2 94 93 A 12 ALA HA A 15 ALA H 1.0 2.0 3.4 95 94 A 13 ALA HA A 15 ALA H 1.0 2.0 4.4 96 95 A 13 ALA H A 15 ALA H 1.0 2.0 4.2 97 96 A 15 ALA HA A 16 SER H 1.0 2.0 3.6 98 97 A 15 ALA H A 16 SER H 1.0 2.0 2.8 99 98 A 15 ALA HB% A 16 SER H 1.0 2.0 5.0 100 99 A 16 SER H A 16 SER HA 1.0 2.0 2.7 101 100 A 16 SER H A 16 SER HBx 1.0 2.0 4.4 102 101 A 16 SER H A 16 SER HBy 1.0 2.0 4.4 103 102 A 12 ALA HA A 16 SER H 1.0 2.0 4.2 104 103 A 13 ALA HA A 16 SER H 1.0 2.0 3.4 105 104 A 14 VAL HA A 16 SER H 1.0 2.0 4.4 106 105 A 14 VAL H A 16 SER H 1.0 2.0 4.2 107 106 A 16 SER HA A 17 LYS H 1.0 2.0 3.6 108 107 A 16 SER H A 17 LYS H 1.0 2.0 2.8 109 108 A 17 LYS H A 16 SER HBx 1.0 2.6 5.4 110 108 A 17 LYS H A 16 SER HBy 1.0 2.6 5.4 111 109 A 17 LYS H A 17 LYS HA 1.0 2.0 2.7 112 110 A 17 LYS H A 17 LYS HBx 1.0 2.0 3.0 113 111 A 17 LYS H A 17 LYS HBy 1.0 1.6 3.0 114 112 A 13 ALA HA A 17 LYS H 1.0 2.0 4.2 115 113 A 14 VAL HA A 17 LYS H 1.0 2.0 3.4 116 114 A 15 ALA HA A 17 LYS H 1.0 2.0 4.4 117 115 A 15 ALA H A 17 LYS H 1.0 2.0 4.2 118 116 A 17 LYS HA A 18 ILE H 1.0 2.0 3.6 119 117 A 17 LYS H A 18 ILE H 1.0 2.0 2.8 120 118 A 18 ILE H A 17 LYS HBx 1.0 2.6 5.4 121 118 A 18 ILE H A 17 LYS HBy 1.0 2.6 5.4 122 119 A 18 ILE H A 18 ILE HA 1.0 2.0 2.7 123 120 A 18 ILE H A 18 ILE HG1y 1.0 2.0 3.6 124 121 A 18 ILE H A 18 ILE HG1x 1.0 2.0 3.6 125 122 A 18 ILE H A 18 ILE HB 1.0 2.0 2.6 126 123 A 18 ILE H A 18 ILE HG2% 1.0 2.0 5.0 127 124 A 14 VAL HA A 18 ILE H 1.0 2.2 4.4 128 125 A 15 ALA HA A 18 ILE H 1.0 2.0 3.4 129 126 A 16 SER HA A 18 ILE H 1.0 2.0 4.4 130 127 A 16 SER H A 18 ILE H 1.0 2.0 4.2 131 128 A 18 ILE HA A 19 VAL H 1.0 2.0 3.6 132 129 A 18 ILE H A 19 VAL H 1.0 2.0 2.8 133 130 A 18 ILE HB A 19 VAL H 1.0 2.0 2.8 134 131 A 18 ILE HG2% A 19 VAL H 1.0 2.0 5.4 135 132 A 19 VAL H A 19 VAL HA 1.0 2.0 2.7 136 133 A 19 VAL H A 19 VAL HB 1.0 1.0 2.6 137 134 A 19 VAL H A 19 VAL HGy% 1.0 3.2 4.8 138 135 A 19 VAL H A 19 VAL HGx% 1.0 4.2 5.8 139 136 A 15 ALA HA A 19 VAL H 1.0 2.4 4.6 140 137 A 16 SER HA A 19 VAL H 1.0 2.2 3.6 141 138 A 17 LYS HA A 19 VAL H 1.0 2.2 4.6 142 139 A 17 LYS H A 19 VAL H 1.0 2.2 4.4 143 140 A 19 VAL HA A 20 GLY H 1.0 2.0 3.6 144 141 A 19 VAL H A 20 GLY H 1.0 2.0 2.8 145 142 A 19 VAL HB A 20 GLY H 1.0 0.8 2.6 146 143 A 19 VAL HGx% A 20 GLY H 1.0 2.0 5.4 147 144 A 19 VAL HGy% A 20 GLY H 1.0 2.0 6.4 148 145 A 20 GLY H A 20 GLY HAy 1.0 2.0 2.6 149 146 A 20 GLY H A 20 GLY HAx 1.0 2.2 3.0 150 147 A 16 SER HA A 20 GLY H 1.0 2.2 4.4 151 148 A 17 LYS HA A 20 GLY H 1.0 2.4 3.8 152 149 A 18 ILE HA A 20 GLY H 1.0 2.2 4.6 153 150 A 18 ILE H A 20 GLY H 1.0 2.4 4.6 154 151 A 20 GLY HAy A 21 LEU H 1.0 2.0 3.2 155 152 A 20 GLY HAx A 21 LEU H 1.0 2.0 3.6 156 153 A 20 GLY H A 21 LEU H 1.0 2.0 2.8 157 154 A 21 LEU H A 21 LEU HA 1.0 2.0 2.8 158 155 A 21 LEU H A 21 LEU HBx 1.0 2.0 2.8 159 156 A 21 LEU H A 21 LEU HBy 1.0 2.0 2.8 160 157 A 21 LEU H A 21 LEU HG 1.0 2.0 4.8 161 158 A 21 LEU H A 21 LEU HDx% 1.0 3.0 6.4 162 159 A 21 LEU H A 21 LEU HDy% 1.0 1.6 6.4 163 160 A 21 LEU HA A 22 TRP H 1.0 2.0 3.6 164 161 A 21 LEU H A 22 TRP H 1.0 2.0 2.8 165 162 A 21 LEU HBx A 22 TRP H 1.0 3.0 4.4 166 163 A 21 LEU HBy A 22 TRP H 1.0 3.0 4.4 167 164 A 21 LEU HDx% A 22 TRP H 1.0 2.6 7.4 168 165 A 21 LEU HDy% A 22 TRP H 1.0 2.6 7.4 169 166 A 22 TRP H A 22 TRP HA 1.0 2.0 2.8 170 167 A 22 TRP H A 22 TRP HBx 1.0 2.0 2.8 171 168 A 22 TRP H A 22 TRP HBy 1.0 2.0 2.8 172 169 A 20 GLY H A 22 TRP H 1.0 4.4 4.8 173 170 A 20 GLY HAx A 22 TRP H 1.0 4.2 4.6 174 171 A 19 VAL HA A 22 TRP H 1.0 3.4 3.8 175 172 A 22 TRP HA A 23 ARG H 1.0 2.0 2.4 176 173 A 22 TRP H A 23 ARG H 1.0 2.0 4.6 177 174 A 22 TRP HBx A 23 ARG H 1.0 2.6 5.0 178 175 A 22 TRP HBy A 23 ARG H 1.0 2.6 5.0 179 176 A 23 ARG H A 22 TRP HD1 1.0 2.2 2.6 180 177 A 23 ARG H A 22 TRP HE1 1.0 4.0 5.0 181 178 A 23 ARG H A 23 ARG HA 1.0 2.0 2.9 182 179 A 23 ARG H A 23 ARG HBy 1.0 2.0 4.0 183 180 A 23 ARG H A 23 ARG HBx 1.0 2.0 4.0 184 181 A 23 ARG H A 23 ARG HGx 1.0 2.0 5.8 185 182 A 23 ARG H A 26 LYS H 1.0 2.6 2.8 186 183 A 23 ARG H A 26 LYS O 1.0 2.0 2.2 187 184 A 23 ARG H A 25 GLU H 1.0 4.0 4.8 188 185 A 23 ARG H A 27 THR HA 1.0 3.6 4.0 189 186 A 23 ARG H A 27 THR HB 1.0 2.0 4.4 190 187 A 23 ARG HA A 24 ASN H 1.0 2.2 2.6 191 188 A 23 ARG H A 24 ASN H 1.0 2.0 4.6 192 189 A 23 ARG HBy A 24 ASN H 1.0 2.8 4.8 193 190 A 23 ARG HBx A 24 ASN H 1.0 2.8 4.8 194 191 A 24 ASN H A 24 ASN HA 1.0 2.0 2.8 195 192 A 24 ASN H A 24 ASN HBy 1.0 2.0 3.6 196 193 A 24 ASN H A 24 ASN HBx 1.0 2.0 3.6 197 194 A 25 GLU H A 24 ASN HA 1.0 2.0 3.6 198 195 A 25 GLU H A 24 ASN H 1.0 2.2 2.8 199 196 A 25 GLU H A 24 ASN HBy 1.0 2.0 3.4 200 197 A 25 GLU H A 24 ASN HBx 1.0 2.0 3.4 201 198 A 25 GLU H A 25 GLU HA 1.0 2.0 2.9 202 199 A 25 GLU H A 25 GLU HBx 1.0 2.0 3.6 203 200 A 25 GLU H A 25 GLU HBy 1.0 2.4 4.0 204 201 A 22 TRP HE1 A 25 GLU H 1.0 3.0 4.0 205 202 A 22 TRP HE1 A 25 GLU HA 1.0 2.2 2.8 206 203 A 26 LYS H A 25 GLU HA 1.0 2.0 2.8 207 204 A 26 LYS H A 25 GLU H 1.0 1.8 3.2 208 205 A 26 LYS H A 25 GLU HBx 1.0 2.0 4.8 209 206 A 26 LYS H A 25 GLU HBy 1.0 2.0 4.8 210 207 A 26 LYS H A 26 LYS HA 1.0 2.0 2.9 211 208 A 26 LYS H A 26 LYS HBy 1.0 2.0 2.8 212 209 A 26 LYS H A 26 LYS HBx 1.0 2.0 3.0 213 210 A 22 TRP HD1 A 26 LYS H 1.0 2.6 3.6 214 211 A 26 LYS H A 24 ASN HBy 1.0 4.4 5.2 215 212 A 26 LYS H A 24 ASN HBx 1.0 2.0 4.8 216 213 A 26 LYS HA A 27 THR H 1.0 2.0 2.4 217 214 A 26 LYS H A 27 THR H 1.0 2.0 4.6 218 215 A 26 LYS HBy A 27 THR H 1.0 2.0 4.8 219 216 A 26 LYS HBx A 27 THR H 1.0 2.0 4.8 220 217 A 27 THR HA A 27 THR H 1.0 2.0 2.9 221 218 A 27 THR HB A 27 THR H 1.0 2.0 3.6 222 219 A 27 THR H A 27 THR HG2% 1.0 2.0 5.8 223 220 A 27 THR H A 35 LYS HA 1.0 2.0 4.0 224 221 A 27 THR H A 34 CYS H 1.0 2.8 3.2 225 222 A 27 THR HA A 28 GLU H 1.0 2.0 2.4 226 223 A 27 THR H A 28 GLU H 1.0 2.0 4.6 227 224 A 27 THR HB A 28 GLU H 1.0 2.0 4.0 228 225 A 27 THR HG2% A 28 GLU H 1.0 2.0 5.8 229 226 A 28 GLU H A 28 GLU HA 1.0 2.0 2.9 230 227 A 28 GLU H A 28 GLU HBx 1.0 2.0 4.6 231 227 A 28 GLU H A 28 GLU HBy 1.0 2.0 4.6 232 228 A 28 GLU H A 28 GLU HGx 1.0 2.0 5.8 233 228 A 28 GLU H A 28 GLU HGy 1.0 2.0 5.8 234 229 A 28 GLU HA A 29 LEU H 1.0 2.2 2.4 235 230 A 28 GLU H A 29 LEU H 1.0 2.0 4.6 236 231 A 29 LEU H A 28 GLU HBx 1.0 2.0 4.8 237 231 A 28 GLU HBy A 29 LEU H 1.0 2.0 4.8 238 232 A 29 LEU H A 28 GLU HGx 1.0 2.0 5.8 239 232 A 28 GLU HGy A 29 LEU H 1.0 2.0 5.8 240 233 A 29 LEU H A 29 LEU HA 1.0 2.0 2.9 241 234 A 29 LEU H A 29 LEU HBy 1.0 2.0 4.0 242 235 A 29 LEU H A 29 LEU HBx 1.0 2.0 4.0 243 236 A 29 LEU H A 33 GLU HA 1.0 2.2 4.4 244 237 A 29 LEU H A 32 HIS H 1.0 2.0 3.6 245 238 A 29 LEU H A 32 HIS HBx 1.0 2.2 4.6 246 239 A 29 LEU H A 32 HIS HBy 1.0 2.2 4.6 247 240 A 29 LEU H A 31 GLY H 1.0 2.0 4.6 248 241 A 29 LEU HA A 30 LEU H 1.0 2.4 3.2 249 242 A 29 LEU H A 30 LEU H 1.0 2.0 4.6 250 243 A 29 LEU HBy A 30 LEU H 1.0 2.0 4.4 251 244 A 29 LEU HBx A 30 LEU H 1.0 0.0 4.4 252 245 A 30 LEU H A 30 LEU HA 1.0 2.0 2.9 253 246 A 30 LEU H A 30 LEU HBx 1.0 2.0 5.4 254 246 A 30 LEU H A 30 LEU HBy 1.0 2.0 5.4 255 247 A 30 LEU H A 30 LEU HDx% 1.0 2.0 6.4 256 248 A 30 LEU H A 30 LEU HDy% 1.0 2.0 6.4 257 249 A 31 GLY H A 30 LEU HA 1.0 2.0 3.2 258 250 A 31 GLY H A 30 LEU H 1.0 2.0 3.0 259 251 A 31 GLY H A 30 LEU HBy 1.0 2.0 4.4 260 252 A 31 GLY H A 30 LEU HBx 1.0 0.0 4.4 261 253 A 31 GLY H A 31 GLY HAx 1.0 2.2 3.0 262 254 A 31 GLY H A 31 GLY HAy 1.0 2.1 3.0 263 255 A 32 HIS H A 31 GLY H 1.0 2.0 2.6 264 256 A 32 HIS H A 31 GLY HAy 1.0 2.0 3.6 265 257 A 32 HIS H A 31 GLY HAx 1.0 2.0 3.6 266 258 A 32 HIS H A 32 HIS HA 1.0 2.0 2.9 267 259 A 32 HIS H A 32 HIS HBx 1.0 2.0 3.4 268 260 A 32 HIS H A 32 HIS HBy 1.0 2.0 2.8 269 261 A 28 GLU HA A 32 HIS H 1.0 2.4 4.8 270 262 A 32 HIS H A 30 LEU HA 1.0 4.0 4.6 271 263 A 32 HIS H A 29 LEU O 1.0 1.9 2.0 272 264 A 29 LEU H A 32 HIS O 1.0 1.9 2.2 273 265 A 32 HIS HA A 33 GLU H 1.0 2.0 2.4 274 266 A 32 HIS H A 33 GLU H 1.0 4.0 4.6 275 267 A 32 HIS HBx A 33 GLU H 1.0 2.0 4.0 276 268 A 32 HIS HBy A 33 GLU H 1.0 2.0 4.0 277 269 A 33 GLU HA A 33 GLU H 1.0 2.0 2.9 278 270 A 33 GLU H A 33 GLU HBy 1.0 2.0 4.6 279 270 A 33 GLU H A 33 GLU HBx 1.0 2.0 4.6 280 271 A 34 CYS H A 33 GLU HA 1.0 2.0 2.4 281 272 A 34 CYS H A 33 GLU H 1.0 4.0 4.6 282 273 A 34 CYS H A 33 GLU HBy 1.0 2.0 5.0 283 274 A 34 CYS H A 33 GLU HBx 1.0 2.0 5.0 284 275 A 34 CYS H A 34 CYS HA 1.0 2.0 2.9 285 276 A 34 CYS H A 34 CYS HBy 1.0 2.0 4.6 286 276 A 34 CYS H A 34 CYS HBx 1.0 2.0 4.6 287 277 A 26 LYS HA A 34 CYS H 1.0 2.0 5.0 288 278 A 34 CYS H A 28 GLU HA 1.0 2.6 3.0 289 279 A 34 CYS HA A 35 LYS H 1.0 2.0 2.4 290 280 A 34 CYS H A 35 LYS H 1.0 4.0 4.6 291 281 A 35 LYS H A 34 CYS HBy 1.0 2.0 3.2 292 282 A 34 CYS HBx A 35 LYS H 1.0 2.4 3.6 293 283 A 35 LYS HA A 35 LYS H 1.0 2.0 2.9 294 284 A 35 LYS H A 35 LYS HBy 1.0 2.0 2.8 295 285 A 35 LYS H A 35 LYS HBx 1.0 2.0 2.8 296 286 A 35 LYS H A 54 TRP H 1.0 2.0 3.4 297 287 A 35 LYS H A 55 CYS HA 1.0 2.0 3.4 298 288 A 35 LYS H A 55 CYS HBy 1.0 2.0 5.4 299 289 A 35 LYS H A 55 CYS HBx 1.0 2.0 5.4 300 290 A 35 LYS HA A 36 PHE H 1.0 2.0 2.4 301 291 A 35 LYS H A 36 PHE H 1.0 4.0 4.6 302 292 A 35 LYS HBy A 36 PHE H 1.0 2.0 4.4 303 293 A 35 LYS HBx A 36 PHE H 1.0 2.0 4.4 304 294 A 36 PHE H A 36 PHE HA 1.0 2.0 2.9 305 295 A 36 PHE H A 36 PHE HBx 1.0 2.0 3.6 306 296 A 36 PHE H A 36 PHE HBy 1.0 1.2 2.8 307 297 A 26 LYS HA A 36 PHE H 1.0 2.2 3.0 308 298 A 36 PHE HA A 37 THR H 1.0 2.0 2.4 309 299 A 36 PHE H A 37 THR H 1.0 4.0 4.6 310 300 A 36 PHE HBx A 37 THR H 1.0 2.0 4.4 311 301 A 36 PHE HBy A 37 THR H 1.0 2.0 4.4 312 302 A 37 THR H A 37 THR HA 1.0 2.0 2.9 313 303 A 37 THR H A 37 THR HB 1.0 2.0 4.0 314 304 A 37 THR H A 37 THR HG2% 1.0 2.0 5.0 315 305 A 37 THR H A 77 THR HG2% 1.0 2.0 6.8 316 306 A 37 THR H A 53 MET HA 1.0 2.0 3.4 317 307 A 37 THR H A 52 ARG H 1.0 2.0 3.4 318 308 A 37 THR HA A 38 VAL H 1.0 2.0 2.4 319 309 A 37 THR H A 38 VAL H 1.0 4.0 4.6 320 310 A 37 THR HB A 38 VAL H 1.0 2.0 2.8 321 311 A 37 THR HG2% A 38 VAL H 1.0 2.0 5.4 322 312 A 38 VAL H A 38 VAL HA 1.0 2.0 2.9 323 313 A 38 VAL H A 38 VAL HB 1.0 2.0 3.0 324 314 A 38 VAL H A 38 VAL HGx% 1.0 2.0 6.4 325 315 A 38 VAL H A 38 VAL HGy% 1.0 2.0 4.6 326 316 A 38 VAL HA A 39 LYS H 1.0 2.0 2.4 327 317 A 38 VAL HB A 39 LYS H 1.0 2.0 4.6 328 318 A 38 VAL HGx% A 39 LYS H 1.0 2.0 5.4 329 319 A 38 VAL HGy% A 39 LYS H 1.0 2.2 5.6 330 320 A 39 LYS H A 39 LYS HA 1.0 2.0 2.9 331 321 A 39 LYS H A 39 LYS HBx 1.0 2.0 3.4 332 322 A 39 LYS H A 39 LYS HBy 1.0 2.0 3.4 333 323 A 39 LYS H A 39 LYS HGx 1.0 2.0 5.8 334 323 A 39 LYS H A 39 LYS HGy 1.0 2.0 5.8 335 324 A 39 LYS H A 51 GLY HAx 1.0 2.0 3.6 336 325 A 39 LYS H A 51 GLY HAy 1.0 2.0 4.0 337 326 A 39 LYS H A 51 GLY H 1.0 2.0 5.2 338 327 A 39 LYS H A 50 LYS H 1.0 2.0 3.4 339 328 A 39 LYS HA A 40 PRO HDx 1.0 2.0 2.6 340 329 A 39 LYS HA A 40 PRO HDy 1.0 2.0 2.6 341 330 A 40 PRO HA A 41 TYR H 1.0 2.0 2.4 342 331 A 41 TYR H A 40 PRO HBy 1.0 2.0 3.6 343 332 A 41 TYR H A 40 PRO HBx 1.0 2.0 3.6 344 333 A 41 TYR H A 41 TYR HA 1.0 2.0 2.9 345 334 A 41 TYR H A 41 TYR HBx 1.0 2.0 3.6 346 335 A 41 TYR H A 41 TYR HBy 1.0 2.0 3.6 347 336 A 41 TYR H A 48 TYR H 1.0 2.8 3.2 348 337 A 41 TYR H A 49 TYR HA 1.0 2.2 3.6 349 338 A 41 TYR H A 47 VAL HA 1.0 4.0 4.8 350 339 A 41 TYR H A 47 VAL HGx% 1.0 2.0 5.8 351 340 A 41 TYR HA A 42 LEU H 1.0 2.0 2.4 352 341 A 41 TYR H A 42 LEU H 1.0 2.0 4.6 353 342 A 41 TYR HBx A 42 LEU H 1.0 2.0 2.8 354 343 A 41 TYR HBy A 42 LEU H 1.0 2.0 2.8 355 344 A 42 LEU H A 42 LEU HA 1.0 2.0 2.9 356 345 A 42 LEU H A 42 LEU HBx 1.0 2.0 3.0 357 346 A 42 LEU H A 42 LEU HBy 1.0 2.0 2.8 358 347 A 42 LEU H A 42 LEU HG 1.0 3.8 4.6 359 348 A 42 LEU H A 42 LEU HDx% 1.0 2.0 6.4 360 349 A 42 LEU H A 42 LEU HDy% 1.0 2.0 6.4 361 350 A 42 LEU HA A 43 LYS H 1.0 2.0 2.4 362 351 A 42 LEU H A 43 LYS H 1.0 2.0 4.6 363 352 A 42 LEU HBx A 43 LYS H 1.0 2.2 3.6 364 353 A 42 LEU HBy A 43 LYS H 1.0 2.4 4.4 365 354 A 42 LEU HG A 43 LYS H 1.0 2.0 2.6 366 355 A 42 LEU HDx% A 43 LYS H 1.0 3.0 5.8 367 356 A 42 LEU HDy% A 43 LYS H 1.0 3.0 5.8 368 357 A 43 LYS H A 43 LYS HA 1.0 2.0 2.9 369 358 A 43 LYS H A 43 LYS HBy 1.0 2.0 2.8 370 359 A 43 LYS H A 43 LYS HBx 1.0 2.0 2.8 371 360 A 43 LYS H A 46 GLN O 1.0 1.9 2.1 372 361 A 43 LYS H A 46 GLN H 1.0 2.2 2.8 373 362 A 43 LYS H A 46 GLN HA 1.0 4.4 4.8 374 363 A 47 VAL HA A 43 LYS H 1.0 3.0 3.6 375 364 A 48 TYR H A 43 LYS H 1.0 4.2 4.8 376 365 A 43 LYS H A 45 PHE H 1.0 3.8 4.8 377 366 A 43 LYS HA A 44 ARG H 1.0 2.2 2.6 378 367 A 43 LYS H A 44 ARG H 1.0 2.2 4.6 379 368 A 43 LYS HBy A 44 ARG H 1.0 2.0 4.0 380 369 A 43 LYS HBx A 44 ARG H 1.0 2.0 4.0 381 370 A 44 ARG H A 44 ARG HA 1.0 2.2 2.6 382 371 A 44 ARG H A 44 ARG HBy 1.0 2.0 4.0 383 372 A 44 ARG H A 44 ARG HBx 1.0 2.0 4.0 384 373 A 45 PHE H A 44 ARG HA 1.0 2.4 3.4 385 374 A 45 PHE H A 44 ARG H 1.0 2.6 3.0 386 375 A 45 PHE H A 44 ARG HBy 1.0 2.0 4.0 387 376 A 45 PHE H A 44 ARG HBx 1.0 2.0 4.0 388 377 A 45 PHE H A 45 PHE HA 1.0 2.2 2.8 389 378 A 45 PHE H A 45 PHE HBy 1.0 2.8 4.8 390 379 A 45 PHE H A 45 PHE HBx 1.0 2.0 4.0 391 380 A 46 GLN H A 45 PHE HA 1.0 2.0 3.2 392 381 A 46 GLN H A 45 PHE H 1.0 1.4 2.8 393 382 A 46 GLN H A 45 PHE HBy 1.0 3.2 4.8 394 383 A 46 GLN H A 45 PHE HBx 1.0 3.2 4.8 395 384 A 46 GLN H A 46 GLN HA 1.0 2.0 2.9 396 385 A 46 GLN H A 46 GLN HBx 1.0 2.0 4.4 397 386 A 46 GLN H A 46 GLN HBy 1.0 2.0 4.4 398 387 A 46 GLN H A 44 ARG H 1.0 4.2 4.8 399 388 A 42 LEU HA A 46 GLN H 1.0 4.2 4.8 400 389 A 46 GLN H A 43 LYS O 1.0 2.0 2.6 401 390 A 46 GLN HA A 47 VAL H 1.0 2.0 2.4 402 391 A 46 GLN H A 47 VAL H 1.0 2.6 4.6 403 392 A 46 GLN HBx A 47 VAL H 1.0 2.0 4.4 404 393 A 46 GLN HBy A 47 VAL H 1.0 2.0 4.4 405 394 A 47 VAL HA A 47 VAL H 1.0 2.0 2.9 406 395 A 47 VAL H A 47 VAL HB 1.0 2.0 2.8 407 396 A 47 VAL HGx% A 47 VAL H 1.0 2.0 6.4 408 397 A 47 VAL H A 47 VAL HGy% 1.0 2.0 4.6 409 398 A 48 TYR H A 47 VAL HA 1.0 2.0 2.4 410 399 A 48 TYR H A 47 VAL H 1.0 2.0 4.6 411 400 A 48 TYR H A 47 VAL HB 1.0 2.0 4.8 412 401 A 48 TYR H A 47 VAL HGx% 1.0 2.0 5.4 413 402 A 48 TYR H A 47 VAL HGy% 1.0 2.0 6.8 414 403 A 48 TYR H A 48 TYR HA 1.0 2.0 2.9 415 404 A 48 TYR H A 48 TYR HBx 1.0 2.0 4.0 416 405 A 48 TYR H A 48 TYR HBy 1.0 2.0 4.0 417 406 A 48 TYR H A 42 LEU HA 1.0 2.8 3.2 418 407 A 48 TYR HA A 49 TYR H 1.0 2.0 2.4 419 408 A 48 TYR H A 49 TYR H 1.0 2.0 4.6 420 409 A 48 TYR HBx A 49 TYR H 1.0 2.0 3.6 421 410 A 48 TYR HBy A 49 TYR H 1.0 2.0 4.4 422 411 A 49 TYR HA A 49 TYR H 1.0 2.0 2.9 423 412 A 49 TYR H A 49 TYR HBy 1.0 2.0 3.4 424 413 A 49 TYR H A 49 TYR HBx 1.0 2.0 3.4 425 414 A 49 TYR H A 68 ARG HA 1.0 2.0 4.2 426 415 A 49 TYR H A 67 THR H 1.0 2.6 4.4 427 416 A 50 LYS H A 49 TYR HA 1.0 2.0 2.4 428 417 A 50 LYS H A 49 TYR H 1.0 2.0 4.6 429 418 A 50 LYS H A 49 TYR HBy 1.0 2.0 4.4 430 419 A 50 LYS H A 49 TYR HBx 1.0 2.0 4.4 431 420 A 50 LYS H A 50 LYS HA 1.0 2.0 2.9 432 421 A 50 LYS H A 50 LYS HBx 1.0 2.0 3.4 433 422 A 50 LYS H A 50 LYS HBy 1.0 2.0 3.4 434 423 A 50 LYS H A 40 PRO HA 1.0 2.0 3.4 435 424 A 51 GLY H A 50 LYS HA 1.0 2.0 2.4 436 425 A 51 GLY H A 50 LYS HBx 1.0 2.0 4.0 437 426 A 51 GLY H A 50 LYS HBy 1.0 2.0 4.0 438 427 A 51 GLY HAy A 51 GLY H 1.0 1.7 2.6 439 428 A 51 GLY HAx A 51 GLY H 1.0 2.5 2.9 440 429 A 51 GLY H A 65 ALA H 1.0 2.2 3.6 441 430 A 51 GLY H A 66 SER HA 1.0 2.2 3.6 442 431 A 51 GLY H A 64 GLU HA 1.0 2.0 5.2 443 432 A 77 THR HG2% A 51 GLY H 1.0 2.0 7.0 444 433 A 51 GLY H A 73 VAL HGy% 1.0 2.0 4.8 445 434 A 52 ARG H A 51 GLY HAy 1.0 2.8 3.2 446 435 A 52 ARG H A 51 GLY HAx 1.0 2.0 2.4 447 436 A 52 ARG H A 51 GLY H 1.0 2.0 4.6 448 437 A 52 ARG H A 52 ARG HA 1.0 2.0 2.9 449 438 A 52 ARG H A 52 ARG HBx 1.0 2.0 3.4 450 439 A 52 ARG H A 52 ARG HBy 1.0 2.0 3.4 451 440 A 52 ARG H A 38 VAL HA 1.0 2.0 3.4 452 441 A 52 ARG H A 53 MET H 1.0 2.0 4.6 453 442 A 52 ARG HA A 53 MET H 1.0 2.0 2.4 454 443 A 53 MET HA A 53 MET H 1.0 2.0 2.9 455 444 A 53 MET H A 53 MET HBx 1.0 2.2 3.6 456 445 A 53 MET H A 53 MET HBy 1.0 2.0 4.4 457 446 A 53 MET H A 63 GLY H 1.0 2.0 3.4 458 447 A 64 GLU HA A 53 MET H 1.0 2.0 3.4 459 448 A 53 MET H A 64 GLU H 1.0 2.0 5.2 460 449 A 54 TRP H A 53 MET HA 1.0 2.0 2.9 461 450 A 54 TRP H A 53 MET H 1.0 2.0 4.6 462 451 A 54 TRP H A 53 MET HBx 1.0 2.0 4.0 463 452 A 54 TRP H A 53 MET HBy 1.0 2.0 3.4 464 453 A 54 TRP H A 54 TRP HA 1.0 2.0 2.9 465 454 A 54 TRP H A 54 TRP HBx 1.0 2.0 4.6 466 455 A 54 TRP H A 54 TRP HBy 1.0 2.0 4.6 467 456 A 54 TRP H A 36 PHE HA 1.0 2.0 3.4 468 457 A 54 TRP H A 34 CYS HBy 1.0 2.0 6.0 469 457 A 34 CYS HBx A 54 TRP H 1.0 2.0 6.0 470 458 A 35 LYS HBy A 54 TRP H 1.0 1.8 4.8 471 459 A 35 LYS HBx A 54 TRP H 1.0 1.8 4.8 472 460 A 54 TRP HA A 55 CYS H 1.0 2.0 2.9 473 461 A 54 TRP H A 55 CYS H 1.0 2.0 4.6 474 462 A 54 TRP HBx A 55 CYS H 1.0 2.0 4.8 475 463 A 54 TRP HBy A 55 CYS H 1.0 2.0 4.8 476 464 A 55 CYS HA A 55 CYS H 1.0 2.0 2.9 477 465 A 55 CYS HBy A 55 CYS H 1.0 2.0 4.6 478 466 A 55 CYS HBx A 55 CYS H 1.0 2.0 4.6 479 467 A 55 CYS H A 61 ILE H 1.0 2.0 4.4 480 468 A 55 CYS H A 62 ARG HA 1.0 2.0 4.8 481 469 A 55 CYS HA A 56 PRO HDx 1.0 2.0 2.8 482 470 A 55 CYS HA A 56 PRO HDy 1.0 2.0 2.8 483 471 A 56 PRO HA A 57 GLY H 1.0 2.0 2.4 484 472 A 57 GLY H A 56 PRO HBx 1.0 2.0 4.6 485 473 A 57 GLY H A 56 PRO HBy 1.0 2.0 4.6 486 474 A 57 GLY H A 57 GLY HAx 1.0 2.0 2.8 487 475 A 57 GLY H A 57 GLY HAy 1.0 2.0 2.9 488 476 A 57 GLY HAx A 58 TRP H 1.0 2.0 3.6 489 477 A 57 GLY HAy A 58 TRP H 1.0 2.0 3.6 490 478 A 57 GLY H A 58 TRP H 1.0 2.0 2.6 491 479 A 58 TRP H A 58 TRP HA 1.0 2.0 2.7 492 480 A 58 TRP H A 58 TRP HBy 1.0 2.0 2.8 493 481 A 58 TRP H A 58 TRP HBx 1.0 2.0 2.8 494 482 A 56 PRO HA A 58 TRP H 1.0 4.0 4.4 495 483 A 58 TRP HA A 59 THR H 1.0 2.0 3.6 496 484 A 58 TRP H A 59 THR H 1.0 2.0 2.8 497 485 A 58 TRP HBy A 59 THR H 1.0 2.0 3.4 498 486 A 58 TRP HBx A 59 THR H 1.0 2.0 3.4 499 487 A 59 THR H A 59 THR HA 1.0 2.0 2.8 500 488 A 59 THR H A 59 THR HB 1.0 3.4 4.8 501 489 A 59 THR H A 59 THR HG2% 1.0 1.0 4.4 502 490 A 59 THR HA A 60 ALA H 1.0 2.0 3.4 503 491 A 59 THR H A 60 ALA H 1.0 2.0 4.0 504 492 A 59 THR HB A 60 ALA H 1.0 2.4 4.8 505 493 A 59 THR HG2% A 60 ALA H 1.0 3.0 5.4 506 494 A 60 ALA H A 60 ALA HA 1.0 2.0 2.9 507 495 A 60 ALA H A 60 ALA HB% 1.0 2.0 4.4 508 496 A 61 ILE H A 60 ALA HA 1.0 2.3 3.5 509 497 A 61 ILE H A 60 ALA HB% 1.0 2.0 5.8 510 498 A 61 ILE H A 60 ALA H 1.0 2.4 3.4 511 499 A 61 ILE H A 61 ILE HA 1.0 2.0 2.9 512 500 A 61 ILE H A 61 ILE HB 1.0 2.0 4.4 513 501 A 61 ILE H A 61 ILE HG2% 1.0 2.0 5.8 514 502 A 61 ILE H A 59 THR HG2% 1.0 3.0 4.8 515 503 A 61 ILE H A 90 LEU HDx% 1.0 4.0 6.8 516 504 A 61 ILE HA A 62 ARG H 1.0 2.0 2.4 517 505 A 61 ILE H A 62 ARG H 1.0 2.0 4.6 518 506 A 61 ILE HB A 62 ARG H 1.0 2.0 4.8 519 507 A 61 ILE HG2% A 62 ARG H 1.0 2.0 5.4 520 508 A 62 ARG HA A 62 ARG H 1.0 2.0 2.9 521 509 A 62 ARG H A 62 ARG HBx 1.0 2.0 3.6 522 510 A 62 ARG H A 62 ARG HBy 1.0 2.0 3.6 523 511 A 63 GLY H A 62 ARG HA 1.0 2.0 2.4 524 512 A 63 GLY H A 62 ARG H 1.0 2.0 4.6 525 513 A 63 GLY H A 62 ARG HBx 1.0 2.0 3.4 526 514 A 63 GLY H A 62 ARG HBy 1.0 2.0 3.4 527 515 A 63 GLY H A 63 GLY HAy 1.0 2.0 2.8 528 516 A 63 GLY H A 63 GLY HAx 1.0 2.0 2.9 529 517 A 63 GLY H A 81 PHE HDx 1.0 2.0 5.0 530 517 A 63 GLY H A 81 PHE HDy 1.0 2.0 5.0 531 518 A 52 ARG HA A 63 GLY H 1.0 2.0 5.2 532 519 A 77 THR HG2% A 63 GLY H 1.0 2.0 6.8 533 520 A 64 GLU H A 63 GLY HAx 1.0 2.0 2.4 534 521 A 64 GLU H A 63 GLY HAy 1.0 2.2 3.0 535 522 A 64 GLU HA A 64 GLU H 1.0 2.0 2.9 536 523 A 64 GLU H A 64 GLU HBy 1.0 2.0 3.6 537 524 A 64 GLU H A 64 GLU HBx 1.0 2.0 3.6 538 525 A 64 GLU H A 64 GLU HGy 1.0 2.0 5.8 539 525 A 64 GLU H A 64 GLU HGx 1.0 2.0 5.8 540 526 A 64 GLU H A 81 PHE H 1.0 2.4 5.2 541 527 A 64 GLU H A 80 ASP H 1.0 3.0 5.8 542 528 A 64 GLU H A 81 PHE HBy 1.0 2.0 5.2 543 529 A 64 GLU H A 80 ASP HBy 1.0 2.4 3.4 544 530 A 64 GLU H A 80 ASP HBx 1.0 2.4 3.4 545 531 A 77 THR HG2% A 64 GLU H 1.0 2.0 6.4 546 532 A 65 ALA H A 64 GLU HA 1.0 2.0 2.4 547 533 A 65 ALA H A 64 GLU H 1.0 2.0 4.6 548 534 A 65 ALA H A 64 GLU HBy 1.0 2.0 4.0 549 535 A 65 ALA H A 64 GLU HBx 1.0 2.0 3.4 550 536 A 65 ALA H A 65 ALA HA 1.0 2.0 2.9 551 537 A 65 ALA H A 65 ALA HB% 1.0 2.0 4.4 552 538 A 50 LYS HA A 65 ALA H 1.0 2.0 5.2 553 539 A 65 ALA H A 52 ARG HA 1.0 1.0 3.4 554 540 A 65 ALA HA A 66 SER H 1.0 2.0 2.4 555 541 A 65 ALA H A 66 SER H 1.0 2.0 4.6 556 542 A 65 ALA HB% A 66 SER H 1.0 2.0 4.8 557 543 A 66 SER HA A 66 SER H 1.0 2.0 2.9 558 544 A 66 SER H A 66 SER HBy 1.0 2.0 4.4 559 545 A 66 SER H A 66 SER HBx 1.0 2.0 4.4 560 546 A 67 THR H A 66 SER HA 1.0 2.0 2.4 561 547 A 67 THR H A 66 SER H 1.0 2.0 4.6 562 548 A 67 THR H A 66 SER HBy 1.0 2.0 3.6 563 549 A 67 THR H A 66 SER HBx 1.0 2.0 3.6 564 550 A 67 THR H A 67 THR HA 1.0 2.0 2.9 565 551 A 67 THR H A 67 THR HB 1.0 2.0 3.4 566 552 A 67 THR H A 67 THR HG2% 1.0 2.0 4.8 567 553 A 67 THR H A 50 LYS HA 1.0 2.0 4.4 568 554 A 49 TYR H A 67 THR H 1.0 2.0 4.6 569 555 A 67 THR HA A 68 ARG H 1.0 2.0 2.6 570 556 A 67 THR H A 68 ARG H 1.0 2.0 4.4 571 557 A 67 THR HB A 68 ARG H 1.0 2.0 4.4 572 558 A 67 THR HG2% A 68 ARG H 1.0 2.0 5.8 573 559 A 68 ARG HA A 68 ARG H 1.0 2.0 2.9 574 560 A 68 ARG H A 68 ARG HBy 1.0 2.0 4.4 575 561 A 68 ARG H A 68 ARG HBx 1.0 2.0 4.4 576 562 A 68 ARG HA A 69 SER H 1.0 2.0 3.5 577 563 A 68 ARG H A 69 SER H 1.0 2.2 3.0 578 564 A 68 ARG HBy A 69 SER H 1.0 2.0 3.6 579 565 A 68 ARG HBx A 69 SER H 1.0 2.0 3.6 580 566 A 69 SER H A 69 SER HA 1.0 2.0 2.8 581 567 A 69 SER H A 69 SER HBy 1.0 2.0 4.4 582 568 A 69 SER H A 69 SER HBx 1.0 2.0 4.4 583 569 A 67 THR HA A 69 SER H 1.0 4.0 4.6 584 570 A 67 THR HG2% A 69 SER H 1.0 3.4 5.0 585 571 A 69 SER HA A 70 GLN H 1.0 2.0 2.4 586 572 A 69 SER H A 70 GLN H 1.0 2.0 4.6 587 573 A 69 SER HBy A 70 GLN H 1.0 2.0 3.6 588 574 A 69 SER HBx A 70 GLN H 1.0 2.0 3.6 589 575 A 70 GLN H A 70 GLN HA 1.0 2.0 2.8 590 576 A 70 GLN H A 70 GLN HBy 1.0 2.0 4.4 591 577 A 70 GLN H A 70 GLN HBx 1.0 2.0 4.4 592 578 A 70 GLN H A 70 GLN HGx 1.0 2.0 5.4 593 578 A 70 GLN H A 70 GLN HGy 1.0 2.0 5.4 594 579 A 70 GLN HA A 71 SER H 1.0 2.0 3.6 595 580 A 70 GLN H A 71 SER H 1.0 2.6 3.0 596 581 A 70 GLN HBy A 71 SER H 1.0 2.0 4.0 597 582 A 70 GLN HBx A 71 SER H 1.0 2.0 4.0 598 583 A 71 SER H A 71 SER HA 1.0 2.0 2.8 599 584 A 71 SER H A 71 SER HBy 1.0 2.0 4.4 600 585 A 71 SER H A 71 SER HBx 1.0 2.0 4.4 601 586 A 69 SER HA A 71 SER H 1.0 3.8 4.8 602 587 A 71 SER HA A 72 GLY H 1.0 2.0 3.5 603 588 A 71 SER H A 72 GLY H 1.0 2.0 3.0 604 589 A 71 SER HBy A 72 GLY H 1.0 2.0 4.0 605 590 A 71 SER HBx A 72 GLY H 1.0 2.0 4.0 606 591 A 72 GLY H A 72 GLY HAy 1.0 1.6 2.4 607 592 A 72 GLY H A 72 GLY HAx 1.0 2.2 3.0 608 593 A 69 SER HA A 72 GLY H 1.0 3.6 4.4 609 594 A 72 GLY HAy A 73 VAL H 1.0 1.5 3.0 610 595 A 72 GLY HAx A 73 VAL H 1.0 2.1 3.6 611 596 A 72 GLY H A 73 VAL H 1.0 2.0 3.0 612 597 A 73 VAL H A 73 VAL HA 1.0 2.0 2.8 613 598 A 73 VAL H A 73 VAL HB 1.0 2.0 2.6 614 599 A 73 VAL HGy% A 73 VAL H 1.0 2.0 4.4 615 600 A 73 VAL H A 73 VAL HGx% 1.0 2.0 5.8 616 601 A 71 SER H A 73 VAL H 1.0 2.2 4.8 617 602 A 71 SER HA A 73 VAL H 1.0 2.2 4.6 618 603 A 73 VAL HA A 74 ALA H 1.0 2.0 3.5 619 604 A 73 VAL H A 74 ALA H 1.0 2.0 2.8 620 605 A 73 VAL HB A 74 ALA H 1.0 3.0 3.6 621 606 A 73 VAL HGy% A 74 ALA H 1.0 2.0 6.4 622 607 A 73 VAL HGx% A 74 ALA H 1.0 2.0 6.4 623 608 A 74 ALA H A 74 ALA HA 1.0 2.0 2.8 624 609 A 74 ALA H A 74 ALA HB% 1.0 2.0 4.4 625 610 A 72 GLY H A 74 ALA H 1.0 2.2 4.4 626 611 A 72 GLY HAx A 74 ALA H 1.0 2.4 4.4 627 612 A 71 SER HA A 74 ALA H 1.0 2.1 3.6 628 613 A 70 GLN HA A 74 ALA H 1.0 3.9 5.4 629 614 A 74 ALA HA A 75 GLY H 1.0 2.0 3.5 630 615 A 74 ALA H A 75 GLY H 1.0 2.0 2.8 631 616 A 74 ALA HB% A 75 GLY H 1.0 2.0 5.0 632 617 A 75 GLY H A 75 GLY HAy 1.0 2.1 2.9 633 618 A 75 GLY H A 75 GLY HAx 1.0 2.0 2.7 634 619 A 73 VAL H A 75 GLY H 1.0 2.4 4.6 635 620 A 73 VAL HA A 75 GLY H 1.0 2.2 4.6 636 621 A 72 GLY HAx A 75 GLY H 1.0 2.0 3.5 637 622 A 75 GLY HAy A 76 LYS H 1.0 2.0 3.6 638 623 A 75 GLY HAx A 76 LYS H 1.0 2.0 3.6 639 624 A 75 GLY H A 76 LYS H 1.0 2.0 2.8 640 625 A 76 LYS H A 76 LYS HA 1.0 2.0 2.7 641 626 A 76 LYS H A 76 LYS HBx 1.0 2.0 4.0 642 627 A 76 LYS H A 76 LYS HBy 1.0 2.0 4.0 643 628 A 72 GLY HAx A 76 LYS H 1.0 2.6 4.8 644 629 A 73 VAL HA A 76 LYS H 1.0 2.0 3.4 645 630 A 74 ALA HA A 76 LYS H 1.0 2.0 4.4 646 631 A 74 ALA H A 76 LYS H 1.0 2.0 4.2 647 632 A 76 LYS HA A 77 THR H 1.0 2.0 3.6 648 633 A 76 LYS H A 77 THR H 1.0 2.0 2.8 649 634 A 76 LYS HBx A 77 THR H 1.0 2.0 4.0 650 635 A 76 LYS HBy A 77 THR H 1.0 2.0 4.0 651 636 A 77 THR H A 77 THR HA 1.0 2.0 2.7 652 637 A 77 THR H A 77 THR HB 1.0 2.0 3.2 653 638 A 77 THR HG2% A 77 THR H 1.0 2.0 5.4 654 639 A 73 VAL HA A 77 THR H 1.0 2.0 4.2 655 640 A 74 ALA HA A 77 THR H 1.0 2.0 3.4 656 641 A 75 GLY HAx A 77 THR H 1.0 2.0 4.4 657 642 A 75 GLY H A 77 THR H 1.0 2.0 4.2 658 643 A 77 THR H A 36 PHE HD% 1.0 2.2 7.0 659 644 A 77 THR H A 36 PHE HE% 1.0 2.0 6.4 660 645 A 77 THR HA A 78 ALA H 1.0 2.0 3.6 661 646 A 77 THR H A 78 ALA H 1.0 2.0 2.8 662 647 A 77 THR HB A 78 ALA H 1.0 2.0 3.6 663 648 A 77 THR HG2% A 78 ALA H 1.0 2.0 4.4 664 649 A 78 ALA H A 78 ALA HA 1.0 2.0 2.7 665 650 A 78 ALA H A 78 ALA HB% 1.0 2.0 4.8 666 651 A 74 ALA HA A 78 ALA H 1.0 2.0 4.2 667 652 A 75 GLY HAx A 78 ALA H 1.0 2.0 3.6 668 653 A 76 LYS HA A 78 ALA H 1.0 2.0 4.4 669 654 A 76 LYS H A 78 ALA H 1.0 2.0 4.2 670 655 A 78 ALA HA A 79 LYS H 1.0 2.0 3.6 671 656 A 78 ALA H A 79 LYS H 1.0 2.0 2.8 672 657 A 78 ALA HB% A 79 LYS H 1.0 2.0 4.6 673 658 A 79 LYS H A 79 LYS HA 1.0 2.0 2.8 674 659 A 79 LYS H A 79 LYS HBy 1.0 2.0 2.8 675 660 A 79 LYS H A 79 LYS HBx 1.0 2.0 2.8 676 661 A 75 GLY HAx A 79 LYS H 1.0 2.6 4.8 677 662 A 76 LYS HA A 79 LYS H 1.0 2.0 3.4 678 663 A 77 THR HA A 79 LYS H 1.0 2.0 4.4 679 664 A 77 THR H A 79 LYS H 1.0 2.0 4.2 680 665 A 80 ASP H A 79 LYS HA 1.0 2.0 3.6 681 666 A 80 ASP H A 79 LYS H 1.0 2.0 2.8 682 667 A 80 ASP H A 79 LYS HBy 1.0 2.0 3.6 683 668 A 80 ASP H A 79 LYS HBx 1.0 2.0 3.6 684 669 A 80 ASP H A 80 ASP HA 1.0 2.0 2.8 685 670 A 80 ASP H A 80 ASP HBy 1.0 2.0 4.0 686 671 A 80 ASP H A 80 ASP HBx 1.0 2.0 4.0 687 672 A 80 ASP H A 76 LYS HA 1.0 2.0 4.2 688 673 A 80 ASP H A 77 THR HA 1.0 2.2 3.6 689 674 A 80 ASP H A 78 ALA HA 1.0 2.0 4.4 690 675 A 80 ASP H A 78 ALA H 1.0 2.0 4.2 691 676 A 81 PHE H A 80 ASP HA 1.0 2.0 3.6 692 677 A 81 PHE H A 80 ASP H 1.0 2.0 2.8 693 678 A 81 PHE H A 80 ASP HBy 1.0 2.0 3.6 694 679 A 81 PHE H A 80 ASP HBx 1.0 2.0 3.6 695 680 A 81 PHE H A 81 PHE HA 1.0 2.0 2.8 696 681 A 81 PHE H A 81 PHE HBx 1.0 2.0 3.0 697 682 A 81 PHE H A 81 PHE HBy 1.0 2.0 3.0 698 683 A 81 PHE H A 77 THR HA 1.0 2.0 4.2 699 684 A 81 PHE H A 78 ALA HA 1.0 2.0 3.4 700 685 A 81 PHE H A 79 LYS HA 1.0 2.0 4.4 701 686 A 81 PHE H A 79 LYS H 1.0 2.0 4.2 702 687 A 81 PHE HA A 82 VAL H 1.0 2.0 3.6 703 688 A 81 PHE H A 82 VAL H 1.0 2.0 2.8 704 689 A 81 PHE HBx A 82 VAL H 1.0 2.0 3.6 705 690 A 81 PHE HBy A 82 VAL H 1.0 2.0 4.0 706 691 A 82 VAL H A 82 VAL HA 1.0 2.0 2.8 707 692 A 82 VAL HB A 82 VAL H 1.0 2.0 2.8 708 693 A 82 VAL HGx% A 82 VAL H 1.0 2.0 6.0 709 694 A 82 VAL HGy% A 82 VAL H 1.0 2.0 4.8 710 695 A 78 ALA HA A 82 VAL H 1.0 2.0 4.2 711 696 A 79 LYS HA A 82 VAL H 1.0 2.0 3.4 712 697 A 80 ASP HA A 82 VAL H 1.0 2.0 4.4 713 698 A 80 ASP H A 82 VAL H 1.0 2.0 4.2 714 699 A 82 VAL HA A 83 ARG H 1.0 2.0 3.6 715 700 A 82 VAL H A 83 ARG H 1.0 2.0 2.8 716 701 A 82 VAL HB A 83 ARG H 1.0 2.0 3.6 717 702 A 82 VAL HGx% A 83 ARG H 1.0 2.0 5.4 718 703 A 82 VAL HGy% A 83 ARG H 1.0 2.0 5.4 719 704 A 83 ARG H A 83 ARG HA 1.0 2.0 3.6 720 705 A 83 ARG H A 83 ARG HBx 1.0 2.0 3.0 721 706 A 83 ARG H A 83 ARG HBy 1.0 2.0 3.6 722 707 A 79 LYS HA A 83 ARG H 1.0 2.0 4.2 723 708 A 80 ASP HA A 83 ARG H 1.0 2.0 3.4 724 709 A 81 PHE HA A 83 ARG H 1.0 2.0 4.4 725 710 A 81 PHE H A 83 ARG H 1.0 2.0 4.2 726 711 A 83 ARG HA A 84 LYS H 1.0 2.0 3.6 727 712 A 83 ARG H A 84 LYS H 1.0 2.0 2.8 728 713 A 83 ARG HBx A 84 LYS H 1.0 2.0 3.6 729 714 A 83 ARG HBy A 84 LYS H 1.0 2.0 3.6 730 715 A 84 LYS H A 84 LYS HA 1.0 2.0 2.8 731 716 A 84 LYS H A 84 LYS HBy 1.0 2.0 3.6 732 717 A 84 LYS H A 84 LYS HBx 1.0 2.0 3.6 733 718 A 61 ILE HG2% A 84 LYS H 1.0 3.0 6.4 734 719 A 80 ASP HA A 84 LYS H 1.0 2.0 4.2 735 720 A 81 PHE HA A 84 LYS H 1.0 2.0 3.4 736 721 A 82 VAL HA A 84 LYS H 1.0 2.0 4.4 737 722 A 82 VAL H A 84 LYS H 1.0 2.0 4.2 738 723 A 84 LYS HA A 85 ALA H 1.0 2.0 3.6 739 724 A 84 LYS H A 85 ALA H 1.0 2.0 2.8 740 725 A 84 LYS HBy A 85 ALA H 1.0 2.0 3.6 741 726 A 84 LYS HBx A 85 ALA H 1.0 2.0 3.6 742 727 A 85 ALA H A 85 ALA HA 1.0 2.0 2.8 743 728 A 85 ALA H A 85 ALA HB% 1.0 2.0 4.4 744 729 A 85 ALA H A 61 ILE HD1% 1.0 2.8 5.4 745 730 A 81 PHE HA A 85 ALA H 1.0 2.0 4.2 746 731 A 82 VAL HA A 85 ALA H 1.0 2.0 3.4 747 732 A 83 ARG HA A 85 ALA H 1.0 2.0 4.4 748 733 A 83 ARG H A 85 ALA H 1.0 2.0 4.2 749 734 A 90 LEU HDx% A 85 ALA H 1.0 2.0 6.8 750 735 A 85 ALA HA A 86 PHE H 1.0 2.0 3.6 751 736 A 85 ALA H A 86 PHE H 1.0 2.0 2.8 752 737 A 85 ALA HB% A 86 PHE H 1.0 2.0 4.6 753 738 A 86 PHE H A 86 PHE HA 1.0 2.0 2.8 754 739 A 86 PHE H A 86 PHE HBx 1.0 2.0 3.6 755 740 A 86 PHE H A 86 PHE HBy 1.0 2.0 3.6 756 741 A 86 PHE H A 91 ILE HD1% 1.0 4.0 6.8 757 742 A 86 PHE H A 91 ILE HG2% 1.0 4.0 6.8 758 743 A 82 VAL HA A 86 PHE H 1.0 2.0 4.2 759 744 A 83 ARG HA A 86 PHE H 1.0 2.0 3.4 760 745 A 84 LYS HA A 86 PHE H 1.0 2.0 4.4 761 746 A 84 LYS H A 86 PHE H 1.0 2.0 4.2 762 747 A 86 PHE HA A 87 GLN H 1.0 2.0 3.6 763 748 A 86 PHE H A 87 GLN H 1.0 2.0 2.8 764 749 A 86 PHE HBx A 87 GLN H 1.0 2.0 3.6 765 750 A 86 PHE HBy A 87 GLN H 1.0 2.0 3.6 766 751 A 87 GLN H A 87 GLN HA 1.0 2.0 2.8 767 752 A 87 GLN H A 87 GLN HBy 1.0 2.0 3.6 768 753 A 87 GLN H A 87 GLN HBx 1.0 2.0 3.6 769 754 A 87 GLN H A 87 GLN HGy 1.0 2.0 5.4 770 754 A 87 GLN H A 87 GLN HGx 1.0 2.0 5.4 771 755 A 83 ARG HA A 87 GLN H 1.0 2.0 4.2 772 756 A 84 LYS HA A 87 GLN H 1.0 2.0 3.4 773 757 A 85 ALA HA A 87 GLN H 1.0 2.0 4.4 774 758 A 85 ALA H A 87 GLN H 1.0 2.0 4.2 775 759 A 87 GLN HA A 88 LYS H 1.0 2.0 3.6 776 760 A 87 GLN H A 88 LYS H 1.0 2.0 2.8 777 761 A 87 GLN HBy A 88 LYS H 1.0 2.0 4.0 778 762 A 87 GLN HBx A 88 LYS H 1.0 2.0 3.6 779 763 A 88 LYS H A 88 LYS HA 1.0 2.0 2.8 780 764 A 88 LYS H A 88 LYS HBy 1.0 2.0 3.6 781 765 A 88 LYS H A 88 LYS HBx 1.0 2.0 3.6 782 766 A 88 LYS H A 88 LYS HGy 1.0 2.0 5.4 783 766 A 88 LYS H A 88 LYS HGx 1.0 2.0 5.4 784 767 A 85 ALA HA A 88 LYS H 1.0 2.4 3.8 785 768 A 86 PHE HA A 88 LYS H 1.0 2.0 4.4 786 769 A 86 PHE H A 88 LYS H 1.0 2.0 4.2 787 770 A 88 LYS HA A 89 GLY H 1.0 2.0 3.6 788 771 A 88 LYS H A 89 GLY H 1.0 2.2 2.8 789 772 A 88 LYS HBy A 89 GLY H 1.0 2.0 4.0 790 773 A 88 LYS HBx A 89 GLY H 1.0 2.0 3.6 791 774 A 89 GLY H A 89 GLY HAy 1.0 2.0 2.6 792 775 A 89 GLY H A 89 GLY HAx 1.0 2.0 2.9 793 776 A 87 GLN H A 89 GLY H 1.0 4.6 5.0 794 777 A 89 GLY HAy A 90 LEU H 1.0 2.0 3.6 795 778 A 89 GLY HAx A 90 LEU H 1.0 2.0 3.6 796 779 A 89 GLY H A 90 LEU H 1.0 2.2 2.8 797 780 A 90 LEU H A 90 LEU HA 1.0 2.0 2.8 798 781 A 90 LEU H A 90 LEU HBy 1.0 2.0 3.6 799 782 A 90 LEU H A 90 LEU HBx 1.0 2.0 3.6 800 783 A 90 LEU HDx% A 90 LEU H 1.0 2.0 6.0 801 784 A 90 LEU H A 90 LEU HDy% 1.0 2.0 6.0 802 785 A 85 ALA HA A 90 LEU H 1.0 3.2 4.0 803 786 A 90 LEU H A 85 ALA O 1.0 2.0 2.4 804 787 A 90 LEU H A 61 ILE HD1% 1.0 2.2 7.0 805 788 A 90 LEU HA A 91 ILE H 1.0 2.0 3.6 806 789 A 90 LEU H A 91 ILE H 1.0 2.2 2.4 807 790 A 90 LEU HBy A 91 ILE H 1.0 2.0 3.6 808 791 A 90 LEU HBx A 91 ILE H 1.0 2.0 3.6 809 792 A 90 LEU HDx% A 91 ILE H 1.0 2.0 6.6 810 793 A 90 LEU HDy% A 91 ILE H 1.0 2.0 6.6 811 794 A 91 ILE H A 91 ILE HA 1.0 2.0 2.8 812 795 A 91 ILE HG2% A 91 ILE H 1.0 2.0 4.8 813 796 A 91 ILE H A 91 ILE HD1% 1.0 2.0 6.4 814 797 A 86 PHE HA A 91 ILE H 1.0 2.6 3.2 815 798 A 89 GLY HAx A 91 ILE H 1.0 4.0 4.8 816 799 A 89 GLY H A 91 ILE H 1.0 3.8 4.6 817 800 A 85 ALA HA A 91 ILE H 1.0 4.4 4.6 818 801 A 91 ILE HA A 92 SER H 1.0 2.0 2.4 819 802 A 91 ILE H A 92 SER H 1.0 2.0 4.6 820 803 A 91 ILE HG2% A 92 SER H 1.0 2.0 5.4 821 804 A 91 ILE HD1% A 92 SER H 1.0 2.0 6.8 822 805 A 92 SER H A 92 SER HA 1.0 2.0 2.9 823 806 A 92 SER H A 92 SER HBy 1.0 2.0 4.0 824 807 A 92 SER H A 92 SER HBx 1.0 2.0 4.0 825 808 A 92 SER HA A 93 GLN H 1.0 2.2 2.6 826 809 A 92 SER H A 93 GLN H 1.0 3.8 4.6 827 810 A 92 SER HA A 93 GLN H 1.0 2.2 2.6 828 811 A 92 SER H A 93 GLN H 1.0 3.8 4.6 829 812 A 92 SER HBy A 93 GLN H 1.0 2.0 3.6 830 813 A 92 SER HBx A 93 GLN H 1.0 2.0 3.6 831 814 A 93 GLN H A 93 GLN HA 1.0 2.0 2.8 832 815 A 93 GLN H A 93 GLN HBy 1.0 2.0 4.2 833 816 A 93 GLN H A 93 GLN HBx 1.0 2.0 4.2 834 817 A 93 GLN HA A 94 GLN H 1.0 2.0 3.6 835 818 A 93 GLN H A 94 GLN H 1.0 2.0 2.8 836 819 A 93 GLN HBy A 94 GLN H 1.0 2.0 4.2 837 820 A 93 GLN HBx A 94 GLN H 1.0 2.0 4.2 838 821 A 94 GLN H A 94 GLN HA 1.0 2.0 2.8 839 822 A 94 GLN H A 94 GLN HBy 1.0 2.0 3.6 840 823 A 94 GLN H A 94 GLN HBx 1.0 2.0 3.6 841 824 A 94 GLN HA A 95 GLU H 1.0 2.0 3.6 842 825 A 94 GLN H A 95 GLU H 1.0 2.0 2.8 843 826 A 94 GLN HBy A 95 GLU H 1.0 2.0 4.2 844 827 A 94 GLN HBx A 95 GLU H 1.0 2.0 4.2 845 828 A 95 GLU H A 95 GLU HA 1.0 2.0 2.8 846 829 A 95 GLU H A 95 GLU HBy 1.0 2.0 3.6 847 830 A 95 GLU H A 95 GLU HBx 1.0 2.0 3.6 848 831 A 93 GLN H A 95 GLU H 1.0 2.4 4.6 849 832 A 93 GLN HA A 95 GLU H 1.0 2.2 4.6 850 833 A 92 SER H A 95 GLU H 1.0 4.0 4.6 851 834 A 95 GLU HA A 96 ALA H 1.0 2.0 3.6 852 835 A 95 GLU H A 96 ALA H 1.0 2.0 2.8 853 836 A 95 GLU HBy A 96 ALA H 1.0 2.0 4.2 854 837 A 95 GLU HBx A 96 ALA H 1.0 2.0 4.2 855 838 A 96 ALA H A 96 ALA HA 1.0 2.0 2.8 856 839 A 96 ALA HB% A 96 ALA H 1.0 2.0 4.6 857 840 A 91 ILE HG2% A 96 ALA H 1.0 2.4 5.8 858 841 A 94 GLN H A 96 ALA H 1.0 2.2 4.4 859 842 A 94 GLN HA A 96 ALA H 1.0 2.0 4.4 860 843 A 93 GLN HA A 96 ALA H 1.0 2.3 3.8 861 844 A 92 SER H A 96 ALA H 1.0 4.0 4.8 862 845 A 96 ALA HA A 97 ASN H 1.0 2.0 3.6 863 846 A 96 ALA H A 97 ASN H 1.0 2.0 2.8 864 847 A 96 ALA HB% A 97 ASN H 1.0 2.0 4.8 865 848 A 97 ASN H A 97 ASN HA 1.0 2.0 2.8 866 849 A 97 ASN H A 97 ASN HBx 1.0 2.0 3.6 867 850 A 97 ASN H A 97 ASN HBy 1.0 2.0 3.6 868 851 A 95 GLU H A 97 ASN H 1.0 2.0 4.2 869 852 A 95 GLU HA A 97 ASN H 1.0 2.0 4.4 870 853 A 94 GLN HA A 97 ASN H 1.0 2.0 3.5 871 854 A 97 ASN HA A 98 GLN H 1.0 2.0 3.6 872 855 A 97 ASN H A 98 GLN H 1.0 2.0 2.8 873 856 A 97 ASN HBx A 98 GLN H 1.0 2.0 4.2 874 857 A 97 ASN HBy A 98 GLN H 1.0 2.0 4.2 875 858 A 98 GLN H A 98 GLN HA 1.0 2.0 2.8 876 859 A 98 GLN H A 98 GLN HBy 1.0 2.0 4.0 877 860 A 98 GLN H A 98 GLN HBx 1.0 2.0 4.0 878 861 A 94 GLN HA A 98 GLN H 1.0 2.0 4.2 879 862 A 95 GLU HA A 98 GLN H 1.0 2.0 3.4 880 863 A 96 ALA HA A 98 GLN H 1.0 2.0 4.4 881 864 A 96 ALA H A 98 GLN H 1.0 2.0 4.2 882 865 A 98 GLN HA A 99 TRP H 1.0 2.0 3.6 883 866 A 98 GLN H A 99 TRP H 1.0 2.0 2.8 884 867 A 98 GLN HBy A 99 TRP H 1.0 2.0 3.6 885 868 A 98 GLN HBx A 99 TRP H 1.0 2.0 3.6 886 869 A 99 TRP H A 99 TRP HA 1.0 2.0 2.8 887 870 A 99 TRP H A 99 TRP HBy 1.0 2.0 3.0 888 871 A 99 TRP H A 99 TRP HBx 1.0 2.0 3.0 889 872 A 95 GLU HA A 99 TRP H 1.0 2.0 4.2 890 873 A 96 ALA HA A 99 TRP H 1.0 2.0 3.4 891 874 A 97 ASN HA A 99 TRP H 1.0 2.0 4.4 892 875 A 97 ASN H A 99 TRP H 1.0 2.0 4.2 893 876 A 99 TRP HA A 100 LEU H 1.0 2.0 3.6 894 877 A 99 TRP H A 100 LEU H 1.0 2.0 2.8 895 878 A 99 TRP HBy A 100 LEU H 1.0 2.0 3.6 896 879 A 99 TRP HBx A 100 LEU H 1.0 2.0 3.6 897 880 A 100 LEU H A 99 TRP HE3 1.0 3.4 4.0 898 881 A 100 LEU H A 100 LEU HA 1.0 2.0 2.8 899 882 A 100 LEU H A 100 LEU HBy 1.0 2.4 4.4 900 883 A 100 LEU H A 100 LEU HBx 1.0 2.4 4.4 901 884 A 100 LEU HDx% A 100 LEU H 1.0 2.0 5.4 902 885 A 100 LEU HDy% A 100 LEU H 1.0 2.0 5.4 903 886 A 96 ALA HA A 100 LEU H 1.0 2.0 4.2 904 887 A 97 ASN HA A 100 LEU H 1.0 2.0 3.4 905 888 A 98 GLN HA A 100 LEU H 1.0 2.0 4.4 906 889 A 98 GLN H A 100 LEU H 1.0 2.0 4.2 907 890 A 100 LEU HA A 101 SER H 1.0 2.0 3.6 908 891 A 100 LEU H A 101 SER H 1.0 2.0 2.8 909 892 A 100 LEU HBy A 101 SER H 1.0 2.0 3.6 910 893 A 100 LEU HBx A 101 SER H 1.0 2.0 3.6 911 894 A 101 SER H A 101 SER HA 1.0 2.0 2.8 912 895 A 101 SER H A 101 SER HBx 1.0 2.4 4.4 913 896 A 101 SER H A 101 SER HBy 1.0 2.4 4.4 914 897 A 97 ASN HA A 101 SER H 1.0 2.0 4.2 915 898 A 98 GLN HA A 101 SER H 1.0 2.0 3.4 916 899 A 99 TRP HA A 101 SER H 1.0 2.0 4.4 917 900 A 99 TRP H A 101 SER H 1.0 2.0 4.2 918 901 A 101 SER H A 101 SER HA 1.0 2.0 2.8 919 902 A 101 SER H A 101 SER HBx 1.0 2.4 4.4 920 903 A 101 SER H A 101 SER HBy 1.0 2.4 4.4 921 904 A 101 SER HA A 102 SER H 1.0 2.0 3.6 922 905 A 101 SER H A 102 SER H 1.0 2.0 2.8 923 906 A 101 SER HBx A 102 SER H 1.0 2.0 3.6 924 907 A 101 SER HBy A 102 SER H 1.0 2.0 3.6 925 908 A 102 SER H A 102 SER HA 1.0 2.0 2.8 926 909 A 102 SER H A 102 SER HBy 1.0 2.4 4.4 927 910 A 102 SER H A 102 SER HBx 1.0 2.4 4.4 928 911 A 21 LEU HA A 21 LEU HDx% 1.0 2.0 3.8 929 912 A 21 LEU HA A 21 LEU HDy% 1.0 2.0 5.0 930 913 A 22 TRP HA A 27 THR HA 1.0 2.6 3.2 931 914 A 22 TRP HA A 27 THR HB 1.0 2.4 2.8 932 915 A 22 TRP HBy A 27 THR HB 1.0 1.4 4.8 933 916 A 19 VAL HA A 22 TRP HBx 1.0 2.8 4.4 934 917 A 19 VAL HA A 22 TRP HBy 1.0 2.6 4.4 935 918 A 50 LYS HA A 66 SER HA 1.0 2.1 2.3 936 919 A 50 LYS HBx A 66 SER HA 1.0 2.0 5.2 937 920 A 50 LYS HBy A 66 SER HA 1.0 2.0 5.2 938 921 A 50 LYS HA A 66 SER HBy 1.0 2.0 5.2 939 922 A 50 LYS HA A 66 SER HBx 1.0 2.0 5.2 940 923 A 36 PHE HA A 53 MET HA 1.0 2.1 2.3 941 924 A 36 PHE HBx A 53 MET HA 1.0 2.0 5.2 942 925 A 36 PHE HBy A 53 MET HA 1.0 2.0 5.2 943 926 A 77 THR HG2% A 53 MET HA 1.0 2.0 6.2 944 927 A 36 PHE HA A 53 MET HBx 1.0 2.0 5.2 945 928 A 36 PHE HA A 53 MET HBy 1.0 2.0 5.2 946 929 A 36 PHE HA A 77 THR HG2% 1.0 2.0 6.2 947 930 A 38 VAL HA A 51 GLY HAx 1.0 2.2 2.4 948 931 A 38 VAL HA A 51 GLY HAy 1.0 2.0 2.8 949 932 A 38 VAL HGy% A 51 GLY HAy 1.0 2.0 4.4 950 933 A 38 VAL HGy% A 51 GLY HAx 1.0 2.0 5.4 951 934 A 50 LYS HA A 73 VAL HGx% 1.0 2.0 6.4 952 935 A 50 LYS HA A 73 VAL HGy% 1.0 2.0 7.4 953 936 A 26 LYS HA A 35 LYS HA 1.0 2.2 2.4 954 937 A 26 LYS HA A 36 PHE HBx 1.0 4.2 4.8 955 938 A 26 LYS HA A 36 PHE HBy 1.0 4.6 5.8 956 939 A 35 LYS HBy A 36 PHE HA 1.0 2.2 5.4 957 940 A 54 TRP HA A 62 ARG HA 1.0 2.8 3.2 958 941 A 54 TRP HBx A 62 ARG HA 1.0 2.0 4.4 959 942 A 54 TRP HBy A 62 ARG HA 1.0 2.0 4.4 960 943 A 54 TRP HA A 62 ARG HBx 1.0 2.0 5.0 961 944 A 54 TRP HA A 62 ARG HBy 1.0 2.0 5.0 962 945 A 25 GLU HA A 37 THR HA 1.0 2.0 5.4 963 946 A 25 GLU HBx A 37 THR HA 1.0 2.4 4.8 964 947 A 25 GLU HBy A 37 THR HA 1.0 2.4 4.8 965 948 A 25 GLU HA A 37 THR HG2% 1.0 2.0 6.0 966 949 A 64 GLU HA A 52 ARG HA 1.0 2.2 2.4 967 950 A 77 THR HG2% A 64 GLU HA 1.0 3.0 4.0 968 951 A 77 THR HG2% A 52 ARG HA 1.0 3.0 4.0 969 952 A 64 GLU HA A 52 ARG HDx 1.0 2.0 5.0 970 953 A 64 GLU HA A 52 ARG HDy 1.0 2.0 5.0 971 954 A 77 THR HG2% A 64 GLU HA 1.0 2.0 5.0 972 955 A 52 ARG HA A 64 GLU HGy 1.0 2.0 5.0 973 956 A 52 ARG HA A 64 GLU HGx 1.0 2.0 5.0 974 957 A 77 THR HG2% A 52 ARG HA 1.0 2.0 5.0 975 958 A 28 GLU HA A 33 GLU HA 1.0 2.0 2.8 976 959 A 34 CYS HA A 55 CYS HA 1.0 2.0 2.4 977 960 A 55 CYS HA A 34 CYS HBy 1.0 2.4 5.4 978 961 A 34 CYS HBx A 55 CYS HA 1.0 2.4 5.4 979 962 A 34 CYS HA A 55 CYS HBy 1.0 3.0 5.4 980 963 A 34 CYS HA A 55 CYS HBx 1.0 2.4 4.8 981 964 A 40 PRO HA A 49 TYR HA 1.0 2.2 2.4 982 965 A 40 PRO HA A 49 TYR HBy 1.0 2.0 5.0 983 966 A 40 PRO HA A 49 TYR HBx 1.0 2.0 5.0 984 967 A 40 PRO HBy A 49 TYR HA 1.0 2.0 5.0 985 968 A 40 PRO HBx A 49 TYR HA 1.0 2.0 5.0 986 969 A 47 VAL HA A 42 LEU HA 1.0 2.3 2.6 987 970 A 47 VAL HGx% A 42 LEU HA 1.0 2.0 7.0 988 971 A 42 LEU HA A 47 VAL HGy% 1.0 2.0 7.0 989 972 A 7 TRP HA A 10 VAL HB 1.0 2.0 4.0 990 973 A 8 GLU HA A 11 ALA HB% 1.0 2.0 5.0 991 974 A 94 GLN HA A 97 ASN HBx 1.0 2.0 5.0 992 975 A 94 GLN HA A 97 ASN HBy 1.0 2.0 5.0 993 976 A 96 ALA HA A 99 TRP HBy 1.0 2.0 4.4 994 977 A 96 ALA HA A 99 TRP HBx 1.0 2.0 4.6 995 978 A 96 ALA HB% A 91 ILE HG2% 1.0 2.2 6.4 996 979 A 83 ARG HA A 86 PHE HBx 1.0 2.0 3.6 997 980 A 83 ARG HA A 86 PHE HBy 1.0 2.0 3.6 998 981 A 76 LYS HA A 79 LYS HBy 1.0 2.0 5.4 999 981 A 76 LYS HA A 79 LYS HBx 1.0 2.0 5.4 1000 982 A 16 SER HA A 19 VAL HB 1.0 2.0 6.4 1001 983 A 84 LYS HA A 87 GLN HBy 1.0 2.0 4.4 1002 984 A 84 LYS HA A 87 GLN HBx 1.0 2.0 4.6 1003 985 A 77 THR HG2% A 74 ALA HA 1.0 2.0 6.0 1004 986 A 59 THR HB A 90 LEU HDx% 1.0 2.0 5.0 1005 987 A 59 THR HB A 90 LEU HDy% 1.0 2.4 5.4 1006 988 A 67 THR HG2% A 73 VAL HA 1.0 2.4 4.6 1007 989 A 67 THR HG2% A 73 VAL HB 1.0 2.8 5.0 1008 990 A 65 ALA HB% A 77 THR HA 1.0 2.8 4.8 1009 991 A 85 ALA HA A 61 ILE HD1% 1.0 2.2 4.8 1010 992 A 85 ALA HB% A 61 ILE HD1% 1.0 2.0 6.8 1011 993 A 90 LEU HDx% A 61 ILE HD1% 1.0 2.0 6.8 1012 994 A 85 ALA HA A 90 LEU HBx 1.0 3.0 3.8 1013 995 A 85 ALA HA A 90 LEU HG 1.0 3.8 4.4 1014 996 A 85 ALA HA A 90 LEU HBy 1.0 3.8 4.4 1015 997 A 90 LEU HDx% A 85 ALA HA 1.0 4.4 6.4 1016 998 A 49 TYR HBy A 67 THR HG2% 1.0 2.0 5.4 1017 999 A 49 TYR HBx A 67 THR HG2% 1.0 2.0 5.4 1018 1000 A 85 ALA HB% A 91 ILE HD1% 1.0 2.8 6.8 1019 1001 A 77 THR HG2% A 53 MET HBx 1.0 2.0 5.0 1020 1002 A 77 THR HG2% A 53 MET HGx 1.0 2.0 5.0 1021 1003 A 91 ILE HD1% A 29 LEU HDx% 1.0 2.4 7.2 1022 1004 A 29 LEU HA A 99 TRP HZ2 1.0 1.6 2.8 1023 1005 A 29 LEU HA A 99 TRP HE1 1.0 2.4 4.4 1024 1006 A 29 LEU HA A 99 TRP HH2 1.0 3.8 4.8 1025 1007 A 99 TRP HZ2 A 29 LEU HDy% 1.0 3.8 5.4 1026 1008 A 99 TRP HH2 A 29 LEU HDy% 1.0 3.8 5.4 1027 1009 A 29 LEU HDy% A 99 TRP HZ3 1.0 4.0 5.6 1028 1010 A 99 TRP HE3 A 29 LEU HDy% 1.0 4.4 6.8 1029 1011 A 30 LEU H A 99 TRP HZ2 1.0 2.4 4.0 1030 1012 A 30 LEU H A 99 TRP HE1 1.0 2.4 3.0 1031 1013 A 30 LEU HA A 99 TRP HE1 1.0 3.4 4.0 1032 1014 A 30 LEU H A 99 TRP HD1 1.0 1.8 3.4 1033 1015 A 30 LEU HA A 99 TRP HD1 1.0 2.4 3.0 1034 1016 A 30 LEU HDx% A 99 TRP HD1 1.0 3.4 5.8 1035 1017 A 31 GLY H A 99 TRP HD1 1.0 3.4 4.0 1036 1018 A 31 GLY H A 99 TRP HE1 1.0 2.8 4.8 1037 1019 A 21 LEU HDy% A 99 TRP HZ2 1.0 2.2 4.6 1038 1020 A 14 VAL HA A 99 TRP HE3 1.0 3.0 4.6 1039 1021 A 14 VAL HA A 99 TRP HZ3 1.0 2.4 3.0 1040 1022 A 14 VAL HGx% A 99 TRP HZ3 1.0 2.4 5.0 1041 1023 A 14 VAL HGx% A 99 TRP HE3 1.0 3.0 5.8 1042 1024 A 77 THR HB A 36 PHE HD% 1.0 2.0 6.8 1043 1025 A 77 THR HB A 36 PHE HE% 1.0 2.0 5.8 1044 1026 A 74 ALA HA A 36 PHE HD% 1.0 2.0 6.4 1045 1027 A 74 ALA HA A 36 PHE HE% 1.0 2.0 6.8 1046 1028 A 19 VAL HA A 36 PHE HE% 1.0 2.0 6.8 1047 1029 A 19 VAL HGx% A 36 PHE HE% 1.0 3.0 7.8 1048 1030 A 19 VAL HGy% A 36 PHE HE% 1.0 3.0 7.8 1049 1031 A 74 ALA HB% A 36 PHE HE% 1.0 3.0 6.8 1050 1032 A 36 PHE HE% A 78 ALA HB% 1.0 3.0 6.8 1051 1033 A 61 ILE HG2% A 81 PHE HDy 1.0 2.0 5.6 1052 1034 A 61 ILE HG2% A 81 PHE HEy 1.0 2.0 5.8 1053 1035 A 59 THR HG2% A 81 PHE HZ 1.0 2.0 5.8 1054 1036 A 59 THR HG2% A 81 PHE HEy 1.0 1.0 4.8 1055 1037 A 59 THR HG2% A 81 PHE HEy 1.0 1.0 4.8 1056 1038 A 59 THR HG2% A 81 PHE HZ 1.0 2.0 4.2 1057 1039 A 55 CYS HBx A 59 THR HG2% 1.0 3.0 5.8 1058 1040 A 59 THR HG2% A 58 TRP HE3 1.0 3.0 5.8 1059 1041 A 59 THR HG2% A 90 LEU HDx% 1.0 3.0 5.8 1060 1042 A 59 THR HG2% A 90 LEU HDy% 1.0 4.2 7.0 1061 1043 A 58 TRP HBy A 32 HIS HD2 1.0 2.4 4.8 1062 1044 A 58 TRP HBx A 32 HIS HD2 1.0 2.4 4.8 1063 1045 A 55 CYS HBy A 58 TRP HE3 1.0 2.0 4.0 1064 1046 A 55 CYS HBx A 58 TRP HE3 1.0 2.0 4.0 1065 1047 A 90 LEU HDx% A 58 TRP HD1 1.0 2.0 6.8 1066 1048 A 90 LEU HDy% A 58 TRP HD1 1.0 2.0 6.8 1067 1049 A 90 LEU HDx% A 58 TRP HZ2 1.0 1.6 6.4 1068 1050 A 90 LEU HDy% A 58 TRP HZ2 1.0 1.6 6.4 1069 1051 A 91 ILE HD1% A 58 TRP HH2 1.0 2.8 6.8 1070 1052 A 91 ILE HG2% A 58 TRP HH2 1.0 2.8 6.8 1071 1053 A 30 LEU HDy% A 58 TRP HZ2 1.0 2.0 4.0 1072 1054 A 38 VAL HA A 73 VAL HGx% 1.0 4.4 6.8 1073 1055 A 99 TRP HZ2 A 17 LYS HBx 1.0 2.4 5.8 1074 1055 A 17 LYS HBy A 99 TRP HZ2 1.0 2.4 5.8 1075 1056 A 75 GLY HAx A 78 ALA HB% 1.0 3.0 5.0 1076 1057 A 19 VAL HGx% A 75 GLY HAx 1.0 4.4 6.8 1077 1058 A 19 VAL HGy% A 75 GLY HAx 1.0 3.0 5.4 1078 1059 A 19 VAL HGy% A 74 ALA HB% 1.0 3.0 5.4 1079 1060 A 15 ALA HB% A 79 LYS HA 1.0 3.0 5.0 1080 1061 A 30 LEU HBy A 32 HIS HD2 1.0 1.6 3.2 1081 1062 A 32 HIS HD2 A 30 LEU HBx 1.0 1.6 3.2 1082 1063 A 30 LEU HDx% A 95 GLU HGx 1.0 2.6 7.4 1083 1063 A 30 LEU HDx% A 95 GLU HGy 1.0 2.6 7.4 1084 1064 A 30 LEU HDy% A 95 GLU HGx 1.0 2.6 7.4 1085 1064 A 30 LEU HDy% A 95 GLU HGy 1.0 2.6 7.4 1086 1065 A 92 SER HA A 86 PHE HD% 1.0 4.4 6.8 1087 1066 A 96 ALA HB% A 86 PHE HZ 1.0 4.0 6.4 1088 1067 A 92 SER H A 95 GLU HBy 1.0 2.6 3.4 1089 1068 A 92 SER H A 95 GLU HBx 1.0 2.6 3.4 1090 1069 A 96 ALA HB% A 92 SER H 1.0 4.0 6.8 1091 1070 A 93 GLN H A 96 ALA H 1.0 4.6 5.0 1092 1071 A 38 VAL HB A 22 TRP HH2 1.0 2.0 4.0 1093 1072 A 38 VAL HGy% A 22 TRP HH2 1.0 2.0 5.8 1094 1073 A 38 VAL HB A 22 TRP HZ2 1.0 2.4 4.4 1095 1074 A 22 TRP HD1 A 26 LYS H 1.0 2.6 3.2 1096 1075 A 38 VAL H A 22 TRP HZ2 1.0 2.4 3.0 1097 1076 A 19 VAL HA A 22 TRP HE3 1.0 3.0 3.6 1098 1077 A 19 VAL HGx% A 22 TRP HE3 1.0 3.6 6.0 1099 1078 A 74 ALA HB% A 22 TRP HZ3 1.0 3.4 5.8 1100 1079 A 74 ALA HB% A 22 TRP HE3 1.0 3.4 5.8 1101 1080 A 36 PHE HD% A 18 ILE HD1% 1.0 2.0 5.8 1102 1081 A 70 GLN HA A 73 VAL HGx% 1.0 4.0 5.8 1103 1082 A 49 TYR HEx A 40 PRO HGy 1.0 4.4 4.4 1104 1083 A 40 PRO HBy A 49 TYR HEx 1.0 2.4 4.4 1105 1084 A 70 GLN HBy A 49 TYR HEx 1.0 2.0 4.4 1106 1085 A 49 TYR HEx A 70 GLN HGx 1.0 2.0 4.4 1107 1086 A 50 LYS HBx A 41 TYR HEy 1.0 2.0 3.0 1108 1087 A 50 LYS HBy A 41 TYR HEy 1.0 2.0 3.0 1109 1088 A 59 THR HG2% A 61 ILE HD1% 1.0 4.4 7.4 1110 1089 A 90 LEU HDx% A 61 ILE HD1% 1.0 3.0 6.8 1111 1090 A 46 GLN HBx A 48 TYR HEx 1.0 2.0 2.8 1112 1091 A 46 GLN HBy A 48 TYR HEx 1.0 2.4 3.4 1113 1092 A 46 GLN HBx A 48 TYR HDx 1.0 3.0 4.4 1114 1093 A 46 GLN HBy A 48 TYR HDx 1.0 3.0 4.4 1115 1094 A 47 VAL HA A 48 TYR HDx 1.0 3.8 4.4 1116 1095 A 67 THR HA A 48 TYR HDy 1.0 3.0 4.4 1117 1096 A 68 ARG H A 48 TYR HDy 1.0 3.4 4.8 1118 1097 A 47 VAL HGx% A 49 TYR HDy 1.0 2.4 4.8 1119 1098 A 47 VAL HGx% A 49 TYR HEy 1.0 2.4 4.8 1120 1099 A 56 PRO HDx A 54 TRP HD1 1.0 2.0 3.4 1121 1100 A 56 PRO HDy A 54 TRP HD1 1.0 2.0 3.4 1122 1101 A 56 PRO HDx A 54 TRP HD1 1.0 2.0 3.4 1123 1102 A 56 PRO HDy A 54 TRP HD1 1.0 2.0 3.4 1124 1103 A 35 LYS HBy A 54 TRP HZ2 1.0 2.4 4.8 1125 1104 A 35 LYS HBx A 54 TRP HZ2 1.0 2.4 4.8 1126 1105 A 99 TRP HZ3 A 17 LYS HGy 1.0 3.8 4.8 1127 1106 A 99 TRP HE3 A 17 LYS HGx 1.0 3.8 4.8 1128 1107 A 99 TRP HZ3 A 17 LYS HBx 1.0 2.0 3.0 1129 1108 A 17 LYS HBy A 99 TRP HZ3 1.0 2.4 4.4 1130 1109 A 99 TRP HE3 A 17 LYS HBx 1.0 2.0 3.4 1131 1110 A 18 ILE HA A 99 TRP HH2 1.0 2.0 3.6 1132 1111 A 18 ILE HG1x A 99 TRP HH2 1.0 2.2 3.6 1133 1112 A 18 ILE H A 99 TRP HH2 1.0 3.0 3.6 1134 1113 A 18 ILE H A 99 TRP HH2 1.0 3.0 3.6 1135 1114 A 18 ILE H A 99 TRP HZ3 1.0 3.6 4.4 1136 1115 A 96 ALA HA A 99 TRP HE3 1.0 3.8 4.0 1137 1116 A 13 ALA HB% A 100 LEU HDx% 1.0 2.8 5.4 1138 1117 A 13 ALA HB% A 100 LEU HDy% 1.0 2.8 5.4 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.restraint_origin hbond _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 27 THR H A 34 CYS O 1.0 1.9 2.4 2 2 A 34 CYS H A 27 THR O 1.0 1.9 2.4 3 3 A 53 MET H A 63 GLY O 1.0 1.9 2.4 4 4 A 65 ALA H A 51 GLY O 1.0 1.9 2.4 5 5 A 51 GLY H A 65 ALA O 1.0 1.9 2.4 6 6 A 48 TYR H A 41 TYR O 1.0 1.9 2.4 7 7 A 41 TYR H A 48 TYR O 1.0 1.9 2.4 8 8 A 39 LYS H A 50 LYS O 1.0 1.9 2.4 9 9 A 37 THR H A 52 ARG O 1.0 1.9 2.4 10 10 A 52 ARG H A 37 THR O 1.0 1.9 2.4 11 11 A 35 LYS H A 54 TRP O 1.0 1.9 2.4 12 12 A 54 TRP H A 35 LYS O 1.0 1.9 2.4 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 6 GLY C A 7 TRP N A 7 TRP CA A 7 TRP C 1.0 -87.0 -27.0 PHI 2 2 A 7 TRP C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -87.0 -27.0 PHI 3 3 A 8 GLU C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -87.0 -27.0 PHI 4 4 A 9 ALA C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -87.0 -27.0 PHI 5 5 A 10 VAL C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -87.0 -27.0 PHI 6 6 A 11 ALA C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -87.0 -27.0 PHI 7 7 A 12 ALA C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -87.0 -27.0 PHI 8 8 A 13 ALA C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -87.0 -27.0 PHI 9 9 A 14 VAL C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -87.0 -27.0 PHI 10 10 A 15 ALA C A 16 SER N A 16 SER CA A 16 SER C 1.0 -87.0 -27.0 PHI 11 11 A 16 SER C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -87.0 -27.0 PHI 12 12 A 17 LYS C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -87.0 -27.0 PHI 13 13 A 73 VAL C A 74 ALA N A 74 ALA CA A 74 ALA C 1.0 -87.0 -27.0 PHI 14 14 A 74 ALA C A 75 GLY N A 75 GLY CA A 75 GLY C 1.0 -87.0 -27.0 PHI 15 15 A 75 GLY C A 76 LYS N A 76 LYS CA A 76 LYS C 1.0 -87.0 -27.0 PHI 16 16 A 76 LYS C A 77 THR N A 77 THR CA A 77 THR C 1.0 -87.0 -27.0 PHI 17 17 A 77 THR C A 78 ALA N A 78 ALA CA A 78 ALA C 1.0 -87.0 -27.0 PHI 18 18 A 78 ALA C A 79 LYS N A 79 LYS CA A 79 LYS C 1.0 -87.0 -27.0 PHI 19 19 A 79 LYS C A 80 ASP N A 80 ASP CA A 80 ASP C 1.0 -87.0 -27.0 PHI 20 20 A 80 ASP C A 81 PHE N A 81 PHE CA A 81 PHE C 1.0 -87.0 -27.0 PHI 21 21 A 81 PHE C A 82 VAL N A 82 VAL CA A 82 VAL C 1.0 -87.0 -27.0 PHI 22 22 A 82 VAL C A 83 ARG N A 83 ARG CA A 83 ARG C 1.0 -87.0 -27.0 PHI 23 23 A 83 ARG C A 84 LYS N A 84 LYS CA A 84 LYS C 1.0 -87.0 -27.0 PHI 24 24 A 84 LYS C A 85 ALA N A 85 ALA CA A 85 ALA C 1.0 -87.0 -27.0 PHI 25 25 A 85 ALA C A 86 PHE N A 86 PHE CA A 86 PHE C 1.0 -100.0 -40.0 PHI 26 26 A 86 PHE C A 87 GLN N A 87 GLN CA A 87 GLN C 1.0 -100.0 -20.0 PHI 27 27 A 71 SER C A 71 SER N A 72 GLY CA A 72 GLY C 1.0 -105.0 -25.0 . 28 28 A 72 GLY C A 73 VAL N A 73 VAL CA A 73 VAL C 1.0 -97.0 -17.0 PHI 29 29 A 93 GLN C A 94 GLN N A 94 GLN CA A 94 GLN C 1.0 -87.0 -27.0 PHI 30 30 A 94 GLN C A 95 GLU N A 95 GLU CA A 95 GLU C 1.0 -87.0 -27.0 PHI 31 31 A 95 GLU C A 96 ALA N A 96 ALA CA A 96 ALA C 1.0 -87.0 -27.0 PHI 32 32 A 96 ALA C A 97 ASN N A 97 ASN CA A 97 ASN C 1.0 -87.0 -27.0 PHI 33 33 A 97 ASN C A 98 GLN N A 98 GLN CA A 98 GLN C 1.0 -87.0 -27.0 PHI 34 34 A 98 GLN C A 99 TRP N A 99 TRP CA A 99 TRP C 1.0 -87.0 -27.0 PHI 35 35 A 99 TRP C A 100 LEU N A 100 LEU CA A 100 LEU C 1.0 -87.0 -27.0 PHI 36 36 A 100 LEU C A 101 SER N A 101 SER CA A 101 SER C 1.0 -87.0 -27.0 PHI 37 37 A 33 GLU C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -170.0 -110.0 PHI 38 38 A 34 CYS C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -170.0 -110.0 PHI 39 39 A 35 LYS C A 36 PHE N A 36 PHE CA A 36 PHE C 1.0 -170.0 -110.0 PHI 40 40 A 36 PHE C A 37 THR N A 37 THR CA A 37 THR C 1.0 -170.0 -110.0 PHI 41 41 A 37 THR C A 38 VAL N A 38 VAL CA A 38 VAL C 1.0 -170.0 -110.0 PHI 42 42 A 38 VAL C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -170.0 -110.0 PHI 43 43 A 40 PRO C A 41 TYR N A 41 TYR CA A 41 TYR C 1.0 -150.0 -90.0 PHI 44 44 A 41 TYR C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -160.0 -100.0 PHI 45 45 A 46 GLN C A 47 VAL N A 47 VAL CA A 47 VAL C 1.0 -130.0 -70.0 PHI 46 46 A 47 VAL C A 48 TYR N A 48 TYR CA A 48 TYR C 1.0 -140.0 -80.0 PHI 47 47 A 48 TYR C A 49 TYR N A 49 TYR CA A 49 TYR C 1.0 -150.0 -90.0 PHI 48 48 A 49 TYR C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -170.0 -110.0 PHI 49 49 A 50 LYS C A 51 GLY N A 51 GLY CA A 51 GLY C 1.0 -170.0 -110.0 PHI 50 50 A 51 GLY C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -170.0 -110.0 PHI 51 51 A 52 ARG C A 53 MET N A 53 MET CA A 53 MET C 1.0 -170.0 -110.0 PHI 52 52 A 53 MET C A 54 TRP N A 54 TRP CA A 54 TRP C 1.0 -170.0 -110.0 PHI 53 53 A 54 TRP C A 55 CYS N A 55 CYS CA A 55 CYS C 1.0 -170.0 -110.0 PHI 54 54 A 61 ILE C A 62 ARG N A 62 ARG CA A 62 ARG C 1.0 -170.0 -110.0 PHI 55 55 A 62 ARG C A 63 GLY N A 63 GLY CA A 63 GLY C 1.0 -170.0 -110.0 PHI 56 56 A 63 GLY C A 64 GLU N A 64 GLU CA A 64 GLU C 1.0 -170.0 -110.0 PHI 57 57 A 64 GLU C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -170.0 -110.0 PHI 58 58 A 59 THR C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -180.0 -120.0 PHI 59 59 A 60 ALA C A 61 ILE N A 61 ILE CA A 61 ILE C 1.0 -180.0 -120.0 PHI 60 60 A 87 GLN C A 88 LYS N A 88 LYS CA A 88 LYS C 1.0 -135.0 -35.0 PHI 61 61 A 22 TRP C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -180.0 -100.0 PHI 62 62 A 25 GLU C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -180.0 -100.0 PHI 63 63 A 18 ILE C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -87.0 -27.0 PHI 64 64 A 19 VAL C A 20 GLY N A 20 GLY CA A 20 GLY C 1.0 -95.0 -35.0 PHI 65 65 A 20 GLY C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -160.0 -100.0 PHI 66 66 A 10 VAL N A 10 VAL CA A 10 VAL CB A 10 VAL CG1 1.0 150.0 210.0 CHI1 67 67 A 14 VAL N A 14 VAL CA A 14 VAL CB A 14 VAL CG1 1.0 150.0 210.0 CHI1 68 68 A 19 VAL N A 19 VAL CA A 19 VAL CB A 19 VAL CG1 1.0 150.0 210.0 CHI1 69 69 A 73 VAL N A 73 VAL CA A 73 VAL CB A 73 VAL CG2 1.0 150.0 210.0 . 70 70 A 18 ILE N A 18 ILE CA A 18 ILE CB A 18 ILE CG2 1.0 150.0 210.0 . 71 71 A 21 LEU N A 21 LEU CA A 21 LEU CB A 21 LEU CG 1.0 150.0 210.0 CHI1 72 72 A 22 TRP N A 22 TRP CA A 22 TRP CB A 22 TRP CG 1.0 150.0 210.0 CHI1 73 73 A 27 THR N A 27 THR CA A 27 THR CB A 27 THR CG2 1.0 30.0 90.0 . 74 74 A 59 THR N A 59 THR CA A 59 THR CB A 59 THR CG2 1.0 30.0 90.0 . 75 75 A 90 LEU N A 90 LEU CA A 90 LEU CB A 90 LEU CG 1.0 -100.0 -20.0 CHI1 76 76 A 90 LEU CA A 90 LEU CB A 90 LEU CG A 90 LEU CD1 1.0 140.0 220.0 CHI2 77 77 A 29 LEU N A 29 LEU CA A 29 LEU CB A 29 LEU CG 1.0 -90.0 -30.0 CHI1 78 78 A 29 LEU CA A 29 LEU CB A 29 LEU CG A 29 LEU CD1 1.0 150.0 210.0 CHI2 79 79 A 30 LEU N A 30 LEU CA A 30 LEU CB A 30 LEU CG 1.0 -200.0 -140.0 CHI1 80 80 A 30 LEU CA A 30 LEU CB A 30 LEU CG A 30 LEU CD2 1.0 -200.0 -140.0 . 81 81 A 48 TYR N A 48 TYR CA A 48 TYR CB A 48 TYR CG 1.0 -90.0 -30.0 CHI1 82 82 A 34 CYS CB A 34 CYS SG A 55 CYS SG A 55 CYS CB 1.0 60.0 120.0 . 83 83 A 54 TRP N A 54 TRP CA A 54 TRP CB A 54 TRP CG 1.0 30.0 90.0 CHI1 84 84 A 54 TRP CA A 54 TRP CB A 54 TRP CG A 54 TRP CD1 1.0 30.0 90.0 CHI2 85 85 A 35 LYS N A 35 LYS CA A 35 LYS CB A 35 LYS CG 1.0 150.0 210.0 CHI1 86 86 A 99 TRP N A 99 TRP CA A 99 TRP CB A 99 TRP CG 1.0 -220.0 -140.0 CHI1 87 87 A 99 TRP CA A 99 TRP CB A 99 TRP CG A 99 TRP CD1 1.0 30.0 90.0 CHI2 88 88 A 17 LYS N A 17 LYS CA A 17 LYS CB A 17 LYS CG 1.0 150.0 210.0 CHI1 stop_ save_