data_nef_c18717_2lyc save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ASN middle . . 3 A 3 ASP middle . . 4 A 4 ILE middle . . 5 A 5 ARG middle . . 6 A 6 ILE middle . . 7 A 7 VAL middle . . 8 A 8 PRO middle . false 9 A 9 GLN middle . . 10 A 10 ILE middle . . 11 A 11 THR middle . . 12 A 12 ASP middle . . 13 A 13 GLU middle . . 14 A 14 GLU middle . . 15 A 15 PHE middle . . 16 A 16 LYS middle . . 17 A 17 THR middle . . 18 A 18 ILE middle . . 19 A 19 PRO middle . false 20 A 20 LYS middle . . 21 A 21 TYR middle . . 22 A 22 GLN middle . . 23 A 23 LEU middle . . 24 A 24 GLY middle . false 25 A 25 ARG middle . . 26 A 26 LEU middle . . 27 A 27 THR middle . . 28 A 28 LEU middle . . 29 A 29 GLU middle . . 30 A 30 MET middle . . 31 A 31 MET middle . . 32 A 32 ASN middle . . 33 A 33 GLU middle . . 34 A 34 ILE middle . . 35 A 35 VAL middle . . 36 A 36 SER middle . . 37 A 37 LYS middle . . 38 A 38 MET middle . . 39 A 39 ASP middle . . 40 A 40 ASP middle . . 41 A 41 PHE middle . . 42 A 42 LEU middle . . 43 A 43 MET middle . . 44 A 44 LYS middle . . 45 A 45 LYS middle . . 46 A 46 SER middle . . 47 A 47 LYS middle . . 48 A 48 ILE middle . . 49 A 49 LEU middle . . 50 A 50 GLY middle . false 51 A 51 LYS middle . . 52 A 52 THR middle . . 53 A 53 ASN middle . . 54 A 54 LYS middle . . 55 A 55 GLN middle . . 56 A 56 LEU middle . . 57 A 57 THR middle . . 58 A 58 ARG middle . . 59 A 59 SER middle . . 60 A 60 ASP middle . . 61 A 61 ARG middle . . 62 A 62 GLU middle . . 63 A 63 VAL middle . . 64 A 64 LEU middle . . 65 A 65 ASP middle . . 66 A 66 ASN middle . . 67 A 67 TRP middle . . 68 A 68 ARG middle . . 69 A 69 GLU middle . . 70 A 70 LEU middle . . 71 A 71 GLU middle . . 72 A 72 MET middle . . 73 A 73 LYS middle . . 74 A 74 ALA middle . . 75 A 75 ARG middle . . 76 A 76 LYS middle . . 77 A 77 ARG middle . . 78 A 78 LEU middle . . 79 A 79 PRO middle . false 80 A 80 THR middle . . 81 A 81 THR middle . . 82 A 82 LEU middle . . 83 A 83 PHE middle . . 84 A 84 PHE middle . . 85 A 85 ILE middle . . 86 A 86 GLU middle . . 87 A 87 THR middle . . 88 A 88 ASP middle . . 89 A 89 ILE middle . . 90 A 90 ARG middle . . 91 A 91 PRO middle . false 92 A 92 MET middle . . 93 A 93 LEU middle . . 94 A 94 GLN middle . . 95 A 95 ASP middle . . 96 A 96 ARG middle . . 97 A 97 LEU middle . . 98 A 98 ARG middle . . 99 A 99 PRO middle . false 100 A 100 SER middle . . 101 A 101 PHE middle . . 102 A 102 ALA middle . . 103 A 103 LYS middle . . 104 A 104 ALA middle . . 105 A 105 ILE middle . . 106 A 106 PRO middle . false 107 A 107 CYS middle . . 108 A 108 LEU middle . . 109 A 109 ARG middle . . 110 A 110 HIS middle . . 111 A 111 ILE middle . . 112 A 112 ARG middle . . 113 A 113 ARG middle . . 114 A 114 ILE middle . . 115 A 115 ARG middle . . 116 A 116 GLU middle . . 117 A 117 GLU middle . . 118 A 118 ARG middle . . 119 A 119 CYS middle . . 120 A 120 GLY middle . false 121 A 121 PRO middle . false 122 A 122 LEU middle . . 123 A 123 THR middle . . 124 A 124 PHE middle . . 125 A 125 TYR middle . . 126 A 126 TYR middle . . 127 A 127 PRO middle . false 128 A 128 GLY middle . false 129 A 129 SER middle . . 130 A 130 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 3 ASP H H 1 8.327 0.000 A 3 ASP HA H 1 4.487 0.000 A 3 ASP HBx H 1 2.448 0.000 A 3 ASP HBy H 1 2.565 0.000 A 3 ASP CA C 13 54.131 0.020 A 3 ASP CB C 13 40.887 0.062 A 3 ASP N N 15 120.763 0.035 A 4 ILE H H 1 7.971 0.000 A 4 ILE HA H 1 4.045 0.000 A 4 ILE HB H 1 1.722 0.000 A 4 ILE HD1% H 1 0.695 0.004 A 4 ILE HG1y H 1 1.328 0.000 A 4 ILE HG1x H 1 1.033 0.000 A 4 ILE HG2% H 1 0.761 0.000 A 4 ILE CA C 13 60.723 0.000 A 4 ILE CB C 13 38.460 0.019 A 4 ILE CD1 C 13 12.467 0.000 A 4 ILE CG1 C 13 26.760 0.000 A 4 ILE CG2 C 13 17.197 0.000 A 4 ILE N N 15 121.147 0.000 A 5 ARG H H 1 8.067 0.000 A 5 ARG HA H 1 4.471 0.000 A 5 ARG HBx H 1 1.715 0.000 A 5 ARG HBy H 1 1.719 0.000 A 5 ARG HDy H 1 3.162 0.000 A 5 ARG HDx H 1 3.069 0.000 A 5 ARG HGy H 1 1.593 0.000 A 5 ARG HGx H 1 1.442 0.000 A 5 ARG CA C 13 54.419 0.004 A 5 ARG CB C 13 30.142 0.000 A 5 ARG CD C 13 42.246 0.000 A 5 ARG CG C 13 26.209 0.000 A 5 ARG N N 15 123.685 0.026 A 6 ILE H H 1 9.083 0.000 A 6 ILE HA H 1 3.783 0.000 A 6 ILE HB H 1 1.737 0.000 A 6 ILE HD1% H 1 0.600 0.006 A 6 ILE HG1y H 1 1.498 0.000 A 6 ILE HG1x H 1 1.496 0.000 A 6 ILE HG2% H 1 0.834 0.000 A 6 ILE CA C 13 63.441 0.018 A 6 ILE CB C 13 38.184 0.015 A 6 ILE CD1 C 13 12.862 0.000 A 6 ILE CG1 C 13 28.208 0.000 A 6 ILE CG2 C 13 18.942 0.000 A 6 ILE N N 15 124.881 0.024 A 7 VAL H H 1 9.067 0.001 A 7 VAL HA H 1 4.091 0.000 A 7 VAL HB H 1 2.138 0.000 A 7 VAL HG1% H 1 0.837 0.000 A 7 VAL HG2% H 1 0.766 0.000 A 7 VAL CA C 13 58.665 0.021 A 7 VAL CB C 13 31.692 0.000 A 7 VAL CG1 C 13 24.417 0.000 A 7 VAL CG2 C 13 24.417 0.000 A 7 VAL N N 15 120.527 0.024 A 9 GLN H H 1 8.305 0.000 A 9 GLN HA H 1 3.860 0.000 A 9 GLN HBy H 1 1.797 0.000 A 9 GLN HBx H 1 1.699 0.000 A 9 GLN HGy H 1 2.340 0.000 A 9 GLN HGx H 1 2.135 0.000 A 9 GLN CA C 13 55.899 0.002 A 9 GLN CB C 13 29.822 0.000 A 9 GLN CG C 13 33.641 0.000 A 9 GLN N N 15 120.479 0.000 A 10 ILE H H 1 10.040 0.000 A 10 ILE HA H 1 4.050 0.000 A 10 ILE HB H 1 1.980 0.000 A 10 ILE HD11 H 1 0.818 0.000 A 10 ILE HD12 H 1 0.653 0.000 A 10 ILE HD13 H 1 0.818 0.000 A 10 ILE HG1y H 1 1.750 0.000 A 10 ILE HG1x H 1 1.467 0.000 A 10 ILE HG2% H 1 0.769 0.000 A 10 ILE CA C 13 60.287 0.059 A 10 ILE CB C 13 37.150 0.000 A 10 ILE CD1 C 13 13.362 0.000 A 10 ILE CG1 C 13 27.367 0.000 A 10 ILE CG2 C 13 18.001 0.000 A 10 ILE N N 15 125.746 0.014 A 11 THR HA H 1 4.459 0.000 A 11 THR HB H 1 4.670 0.000 A 11 THR HG2% H 1 1.198 0.000 A 11 THR CA C 13 60.124 0.033 A 11 THR CB C 13 71.036 0.000 A 11 THR CG2 C 13 21.550 0.000 A 12 ASP H H 1 8.892 0.000 A 12 ASP HA H 1 4.233 0.000 A 12 ASP HB3 H 1 2.535 0.000 A 12 ASP CA C 13 57.791 0.000 A 12 ASP CB C 13 40.845 0.000 A 12 ASP N N 15 121.634 0.000 A 13 GLU H H 1 8.421 0.000 A 13 GLU HA H 1 3.849 0.000 A 13 GLU HBy H 1 1.963 0.000 A 13 GLU HBx H 1 1.883 0.000 A 13 GLU HG3 H 1 2.250 0.000 A 13 GLU CA C 13 59.683 0.000 A 13 GLU CB C 13 29.155 0.000 A 13 GLU CG C 13 36.271 0.000 A 13 GLU N N 15 117.207 0.000 A 14 GLU H H 1 7.647 0.000 A 14 GLU HA H 1 3.977 0.000 A 14 GLU HB3 H 1 1.736 0.000 A 14 GLU HGy H 1 2.383 0.000 A 14 GLU HGx H 1 2.147 0.000 A 14 GLU CA C 13 58.493 0.004 A 14 GLU CB C 13 31.415 0.000 A 14 GLU CG C 13 37.008 0.000 A 14 GLU N N 15 118.579 0.000 A 15 PHE H H 1 8.823 0.001 A 15 PHE HA H 1 3.845 0.003 A 15 PHE HBy H 1 3.242 0.000 A 15 PHE HBx H 1 3.096 0.000 A 15 PHE HDx H 1 6.961 0.002 A 15 PHE HDy H 1 6.961 0.002 A 15 PHE CA C 13 61.006 0.001 A 15 PHE CB C 13 39.857 0.012 A 15 PHE CDx C 13 132.695 0.000 A 15 PHE CDy C 13 132.695 0.000 A 15 PHE N N 15 122.867 0.019 A 16 LYS H H 1 7.742 0.001 A 16 LYS HA H 1 3.963 0.000 A 16 LYS HBy H 1 1.902 0.000 A 16 LYS HBx H 1 1.827 0.000 A 16 LYS HE3 H 1 2.923 0.000 A 16 LYS HGy H 1 1.669 0.000 A 16 LYS HGx H 1 1.535 0.000 A 16 LYS CA C 13 58.086 0.015 A 16 LYS CB C 13 32.608 0.000 A 16 LYS CE C 13 41.833 0.000 A 16 LYS CG C 13 25.611 0.000 A 16 LYS N N 15 115.192 0.004 A 17 THR H H 1 7.518 0.001 A 17 THR HA H 1 4.269 0.002 A 17 THR HB H 1 4.403 0.001 A 17 THR HG2% H 1 1.303 0.002 A 17 THR CA C 13 61.767 0.006 A 17 THR CB C 13 69.956 0.001 A 17 THR CG2 C 13 21.323 0.000 A 17 THR N N 15 108.709 0.015 A 18 ILE H H 1 7.063 0.000 A 18 ILE HA H 1 3.612 0.000 A 18 ILE HB H 1 1.323 0.000 A 18 ILE HD1% H 1 0.643 0.000 A 18 ILE CA C 13 59.401 0.086 A 18 ILE CB C 13 38.283 0.024 A 18 ILE CD1 C 13 14.047 0.000 A 18 ILE N N 15 124.707 0.000 A 20 LYS H H 1 8.639 0.001 A 20 LYS HA H 1 3.709 0.000 A 20 LYS HBx H 1 1.764 0.000 A 20 LYS HBy H 1 1.812 0.000 A 20 LYS HD2 H 1 1.648 0.000 A 20 LYS HD3 H 1 1.648 0.000 A 20 LYS HGx H 1 1.400 0.000 A 20 LYS HGy H 1 1.468 0.000 A 20 LYS CA C 13 59.180 0.025 A 20 LYS CB C 13 31.439 0.019 A 20 LYS CD C 13 28.401 0.000 A 20 LYS CG C 13 24.768 0.000 A 20 LYS N N 15 124.646 0.013 A 21 TYR H H 1 7.897 0.000 A 21 TYR HA H 1 4.314 0.000 A 21 TYR HBx H 1 2.879 0.000 A 21 TYR HBy H 1 3.117 0.000 A 21 TYR HDx H 1 7.014 0.000 A 21 TYR HDy H 1 7.014 0.000 A 21 TYR HEx H 1 6.759 0.000 A 21 TYR HEy H 1 6.759 0.000 A 21 TYR CA C 13 58.914 0.000 A 21 TYR CB C 13 36.177 0.000 A 21 TYR CDx C 13 133.550 0.000 A 21 TYR CDy C 13 133.550 0.000 A 21 TYR CEx C 13 118.657 0.000 A 21 TYR CEy C 13 118.657 0.000 A 21 TYR N N 15 115.093 0.000 A 22 GLN H H 1 6.759 0.000 A 22 GLN HA H 1 3.926 0.000 A 22 GLN HB3 H 1 1.468 0.000 A 22 GLN HGy H 1 1.860 0.000 A 22 GLN HGx H 1 1.602 0.000 A 22 GLN CA C 13 56.606 0.000 A 22 GLN CB C 13 29.465 0.000 A 22 GLN CG C 13 33.962 0.000 A 22 GLN N N 15 119.745 0.000 A 23 LEU H H 1 7.115 0.000 A 23 LEU HA H 1 3.852 0.000 A 23 LEU HBy H 1 1.439 0.000 A 23 LEU HBx H 1 1.375 0.000 A 23 LEU HD2% H 1 0.598 0.000 A 23 LEU HG H 1 1.336 0.000 A 23 LEU CA C 13 56.569 0.013 A 23 LEU CB C 13 43.590 0.014 A 23 LEU CD2 C 13 25.448 0.000 A 23 LEU CG C 13 26.159 0.000 A 23 LEU N N 15 118.619 0.000 A 24 GLY H H 1 7.541 0.001 A 24 GLY HAy H 1 3.745 0.000 A 24 GLY HAx H 1 3.607 0.000 A 24 GLY CA C 13 46.923 0.012 A 24 GLY N N 15 103.606 0.033 A 25 ARG H H 1 8.850 0.000 A 25 ARG HA H 1 4.280 0.000 A 25 ARG CA C 13 55.373 0.000 A 25 ARG CB C 13 29.946 0.000 A 25 ARG N N 15 126.033 0.007 A 26 LEU H H 1 8.017 0.000 A 26 LEU HA H 1 4.258 0.000 A 26 LEU HBx H 1 1.811 0.000 A 26 LEU HBy H 1 2.054 0.000 A 26 LEU HD1% H 1 0.847 0.000 A 26 LEU HD2% H 1 0.843 0.000 A 26 LEU HG H 1 1.308 0.000 A 26 LEU CA C 13 56.596 0.014 A 26 LEU CB C 13 42.745 0.033 A 26 LEU CD1 C 13 25.408 0.000 A 26 LEU CD2 C 13 24.317 0.000 A 26 LEU CG C 13 26.961 0.000 A 26 LEU N N 15 121.287 0.000 A 27 THR H H 1 7.129 0.001 A 27 THR HA H 1 4.626 0.000 A 27 THR HG2% H 1 1.256 0.000 A 27 THR CA C 13 58.272 0.013 A 27 THR CG2 C 13 21.735 0.000 A 27 THR N N 15 110.943 0.011 A 28 LEU H H 1 8.404 0.000 A 28 LEU HA H 1 3.227 0.000 A 28 LEU HB3 H 1 1.172 0.000 A 28 LEU HD1% H 1 -0.185 0.000 A 28 LEU HD21 H 1 0.512 0.000 A 28 LEU HD22 H 1 0.517 0.000 A 28 LEU HD23 H 1 0.512 0.000 A 28 LEU HG H 1 0.431 0.000 A 28 LEU CA C 13 57.834 0.000 A 28 LEU CB C 13 39.912 0.023 A 28 LEU CD1 C 13 25.335 0.000 A 28 LEU CD2 C 13 25.335 0.000 A 28 LEU CG C 13 22.776 0.000 A 28 LEU N N 15 124.601 0.000 A 29 GLU H H 1 8.361 0.000 A 29 GLU HA H 1 3.886 0.000 A 29 GLU HBy H 1 1.957 0.000 A 29 GLU HBx H 1 1.815 0.000 A 29 GLU HGy H 1 2.230 0.000 A 29 GLU HGx H 1 2.176 0.000 A 29 GLU CA C 13 59.967 0.000 A 29 GLU CB C 13 28.813 0.013 A 29 GLU CG C 13 36.334 0.000 A 29 GLU N N 15 117.021 0.000 A 30 MET H H 1 7.541 0.000 A 30 MET HA H 1 3.999 0.000 A 30 MET HBy H 1 2.407 0.000 A 30 MET HBx H 1 2.149 0.000 A 30 MET HGy H 1 2.755 0.000 A 30 MET HGx H 1 2.600 0.000 A 30 MET CA C 13 58.946 0.000 A 30 MET CB C 13 31.941 0.000 A 30 MET CG C 13 31.826 0.042 A 30 MET N N 15 119.159 0.000 A 31 MET H H 1 8.310 0.001 A 31 MET HA H 1 3.833 0.000 A 31 MET HBy H 1 2.128 0.000 A 31 MET HBx H 1 1.954 0.000 A 31 MET HGy H 1 2.430 0.000 A 31 MET HGx H 1 2.288 0.000 A 31 MET CA C 13 58.966 0.011 A 31 MET CB C 13 32.253 0.020 A 31 MET CG C 13 33.108 0.000 A 31 MET N N 15 117.316 0.015 A 32 ASN H H 1 8.728 0.000 A 32 ASN HA H 1 4.958 0.000 A 32 ASN HBy H 1 2.940 0.000 A 32 ASN HBx H 1 2.681 0.000 A 32 ASN CA C 13 54.275 0.016 A 32 ASN CB C 13 36.915 0.000 A 32 ASN N N 15 116.639 0.005 A 33 GLU H H 1 7.918 0.000 A 33 GLU HA H 1 4.186 0.000 A 33 GLU HGy H 1 2.206 0.000 A 33 GLU HGx H 1 2.134 0.000 A 33 GLU CA C 13 59.511 0.000 A 33 GLU CB C 13 29.228 0.000 A 33 GLU CG C 13 35.968 0.000 A 33 GLU N N 15 125.338 0.000 A 34 ILE H H 1 7.576 0.000 A 34 ILE HA H 1 3.471 0.001 A 34 ILE HB H 1 1.968 0.000 A 34 ILE HD1% H 1 0.652 0.002 A 34 ILE HG1y H 1 1.742 0.000 A 34 ILE HG1x H 1 1.459 0.000 A 34 ILE HG2% H 1 0.831 0.000 A 34 ILE CA C 13 65.794 0.000 A 34 ILE CB C 13 37.922 0.000 A 34 ILE CD1 C 13 13.021 0.000 A 34 ILE CG1 C 13 27.332 0.000 A 34 ILE CG2 C 13 17.801 0.000 A 34 ILE N N 15 119.962 0.000 A 35 VAL H H 1 8.657 0.001 A 35 VAL HA H 1 3.575 0.000 A 35 VAL HB H 1 2.107 0.000 A 35 VAL HG11 H 1 0.850 0.000 A 35 VAL HG12 H 1 1.294 0.000 A 35 VAL HG13 H 1 0.850 0.000 A 35 VAL HG21 H 1 1.118 0.000 A 35 VAL HG22 H 1 0.949 0.000 A 35 VAL HG23 H 1 0.949 0.000 A 35 VAL CA C 13 66.145 0.000 A 35 VAL CB C 13 31.499 0.000 A 35 VAL CG1 C 13 24.516 0.000 A 35 VAL CGy C 13 24.850 0.000 A 35 VAL CGx C 13 24.516 0.000 A 35 VAL N N 15 119.021 0.011 A 36 SER H H 1 8.175 0.000 A 36 SER HA H 1 4.171 0.000 A 36 SER HBy H 1 4.021 0.000 A 36 SER HBx H 1 4.015 0.000 A 36 SER CA C 13 61.604 0.000 A 36 SER CB C 13 62.415 0.014 A 36 SER N N 15 114.977 0.000 A 37 LYS H H 1 7.283 0.000 A 37 LYS HA H 1 4.177 0.000 A 37 LYS HB3 H 1 1.891 0.000 A 37 LYS HD3 H 1 1.805 0.000 A 37 LYS HG3 H 1 1.707 0.000 A 37 LYS CA C 13 57.155 0.000 A 37 LYS CB C 13 30.380 0.000 A 37 LYS CD C 13 26.978 0.000 A 37 LYS CG C 13 24.595 0.000 A 37 LYS N N 15 119.000 0.000 A 38 MET H H 1 7.740 0.000 A 38 MET HA H 1 3.430 0.001 A 38 MET CA C 13 59.676 0.000 A 38 MET CB C 13 31.961 0.000 A 38 MET N N 15 119.061 0.000 A 39 ASP H H 1 8.603 0.000 A 39 ASP HA H 1 4.090 0.000 A 39 ASP HBy H 1 2.856 0.000 A 39 ASP HBx H 1 2.675 0.000 A 39 ASP CA C 13 58.773 0.000 A 39 ASP CB C 13 43.142 0.000 A 39 ASP N N 15 118.445 0.000 A 40 ASP H H 1 8.397 0.000 A 40 ASP HA H 1 4.189 0.000 A 40 ASP HBy H 1 2.826 0.000 A 40 ASP HBx H 1 2.569 0.000 A 40 ASP CA C 13 57.327 0.000 A 40 ASP CB C 13 41.041 0.000 A 40 ASP N N 15 117.427 0.000 A 41 PHE H H 1 8.248 0.000 A 41 PHE HA H 1 3.971 0.000 A 41 PHE HBy H 1 3.063 0.000 A 41 PHE HBx H 1 2.645 0.000 A 41 PHE CA C 13 62.162 0.000 A 41 PHE CB C 13 39.498 0.017 A 41 PHE N N 15 119.507 0.000 A 42 LEU H H 1 8.203 0.001 A 42 LEU HA H 1 3.725 0.000 A 42 LEU HBy H 1 1.891 0.000 A 42 LEU HBx H 1 1.188 0.000 A 42 LEU HD1% H 1 0.849 0.000 A 42 LEU HD2% H 1 0.751 0.000 A 42 LEU CA C 13 57.168 0.000 A 42 LEU CB C 13 41.649 0.000 A 42 LEU CD1 C 13 25.963 0.000 A 42 LEU CD2 C 13 22.867 0.000 A 42 LEU N N 15 118.072 0.002 A 43 MET H H 1 9.073 0.000 A 43 MET HA H 1 4.063 0.000 A 43 MET HBy H 1 2.199 0.000 A 43 MET HBx H 1 1.948 0.000 A 43 MET HG3 H 1 2.516 0.000 A 43 MET CA C 13 57.664 0.013 A 43 MET CB C 13 30.833 0.034 A 43 MET CG C 13 32.203 0.000 A 43 MET N N 15 121.878 0.000 A 44 LYS H H 1 7.678 0.000 A 44 LYS HA H 1 3.865 0.000 A 44 LYS HBy H 1 1.803 0.000 A 44 LYS HBx H 1 1.765 0.000 A 44 LYS CA C 13 59.484 0.000 A 44 LYS CB C 13 31.525 0.000 A 44 LYS N N 15 122.276 0.004 A 46 SER H H 1 8.467 0.000 A 46 SER HA H 1 3.744 0.000 A 46 SER HBy H 1 3.916 0.005 A 46 SER HBx H 1 3.852 0.003 A 46 SER CA C 13 61.358 0.000 A 46 SER CB C 13 62.674 0.000 A 46 SER N N 15 113.504 0.000 A 47 LYS H H 1 7.659 0.000 A 47 LYS HA H 1 3.955 0.000 A 47 LYS HBy H 1 1.909 0.000 A 47 LYS HBx H 1 1.864 0.000 A 47 LYS HGy H 1 1.494 0.000 A 47 LYS HGx H 1 1.311 0.003 A 47 LYS CA C 13 58.814 0.000 A 47 LYS CB C 13 32.013 0.000 A 47 LYS CG C 13 25.015 0.000 A 47 LYS N N 15 120.235 0.000 A 48 ILE H H 1 7.803 0.000 A 48 ILE HA H 1 3.465 0.000 A 48 ILE HB H 1 2.018 0.001 A 48 ILE HD1% H 1 0.850 0.004 A 48 ILE CA C 13 66.092 0.000 A 48 ILE CB C 13 37.947 0.015 A 48 ILE CD1 C 13 13.606 0.000 A 48 ILE N N 15 120.699 0.000 A 49 LEU H H 1 8.671 0.000 A 49 LEU HA H 1 4.065 0.000 A 49 LEU HBy H 1 1.699 0.000 A 49 LEU HBx H 1 1.333 0.000 A 49 LEU HD1% H 1 0.543 0.003 A 49 LEU HD2% H 1 0.924 0.000 A 49 LEU HG H 1 1.800 0.000 A 49 LEU CA C 13 57.114 0.000 A 49 LEU CB C 13 41.593 0.000 A 49 LEU CD1 C 13 25.737 0.000 A 49 LEU CD2 C 13 25.737 0.000 A 49 LEU CG C 13 26.378 0.000 A 49 LEU N N 15 118.686 0.013 A 50 GLY H H 1 7.422 0.000 A 50 GLY HAy H 1 4.116 0.000 A 50 GLY HAx H 1 3.632 0.000 A 50 GLY CA C 13 44.546 0.023 A 50 GLY N N 15 103.264 0.000 A 51 LYS H H 1 7.227 0.000 A 51 LYS HA H 1 4.270 0.000 A 51 LYS HB3 H 1 1.765 0.000 A 51 LYS HDx H 1 1.332 0.000 A 51 LYS HDy H 1 1.333 0.000 A 51 LYS HGy H 1 1.333 0.000 A 51 LYS HGx H 1 1.194 0.000 A 51 LYS CA C 13 57.328 0.000 A 51 LYS CB C 13 34.176 0.000 A 51 LYS CD C 13 30.265 0.000 A 51 LYS CG C 13 26.272 0.000 A 51 LYS N N 15 121.616 0.000 A 52 THR H H 1 8.298 0.001 A 52 THR HA H 1 4.363 0.000 A 52 THR HB H 1 4.498 0.000 A 52 THR HG2% H 1 1.213 0.000 A 52 THR CA C 13 60.280 0.013 A 52 THR CB C 13 69.989 0.000 A 52 THR CG2 C 13 21.539 0.000 A 52 THR N N 15 112.472 0.028 A 53 ASN H H 1 8.739 0.000 A 53 ASN HA H 1 4.263 0.000 A 53 ASN HBy H 1 2.804 0.000 A 53 ASN HBx H 1 2.719 0.000 A 53 ASN CA C 13 56.566 0.000 A 53 ASN CB C 13 38.190 0.000 A 53 ASN N N 15 118.660 0.000 A 54 LYS H H 1 7.949 0.000 A 54 LYS HA H 1 4.084 0.000 A 54 LYS HBy H 1 1.752 0.000 A 54 LYS HBx H 1 1.710 0.000 A 54 LYS HG3 H 1 1.406 0.000 A 54 LYS CA C 13 57.551 0.000 A 54 LYS CB C 13 32.378 0.000 A 54 LYS CG C 13 24.838 0.000 A 54 LYS N N 15 116.241 0.000 A 55 GLN H H 1 7.492 0.000 A 55 GLN HA H 1 4.183 0.000 A 55 GLN CA C 13 55.621 0.006 A 55 GLN CB C 13 30.523 0.000 A 55 GLN N N 15 116.389 0.000 A 56 LEU H H 1 7.137 0.001 A 56 LEU HA H 1 4.447 0.000 A 56 LEU HB3 H 1 1.820 0.000 A 56 LEU HD1% H 1 0.794 0.000 A 56 LEU HD2% H 1 0.825 0.000 A 56 LEU HG H 1 1.242 0.000 A 56 LEU CA C 13 55.325 0.016 A 56 LEU CB C 13 43.024 0.010 A 56 LEU CD1 C 13 24.672 0.000 A 56 LEU CD2 C 13 24.657 0.000 A 56 LEU CG C 13 25.888 0.000 A 56 LEU N N 15 120.014 0.005 A 57 THR H H 1 8.986 0.000 A 57 THR HA H 1 4.491 0.000 A 57 THR HB H 1 4.637 0.000 A 57 THR HG2% H 1 1.230 0.000 A 57 THR CA C 13 59.638 0.006 A 57 THR CB C 13 71.233 0.000 A 57 THR CG2 C 13 21.546 0.000 A 57 THR N N 15 115.673 0.014 A 58 ARG H H 1 8.783 0.000 A 58 ARG HA H 1 3.877 0.000 A 58 ARG HBy H 1 1.865 0.000 A 58 ARG HBx H 1 1.774 0.000 A 58 ARG HGy H 1 1.655 0.000 A 58 ARG HGx H 1 1.540 0.000 A 58 ARG CA C 13 59.817 0.017 A 58 ARG CB C 13 29.331 0.000 A 58 ARG CG C 13 26.649 0.000 A 58 ARG N N 15 121.180 0.013 A 59 SER H H 1 8.198 0.001 A 59 SER HA H 1 4.116 0.000 A 59 SER HBy H 1 3.801 0.000 A 59 SER HBx H 1 3.740 0.000 A 59 SER CA C 13 60.988 0.012 A 59 SER CB C 13 62.156 0.000 A 59 SER N N 15 113.863 0.034 A 60 ASP H H 1 7.623 0.000 A 60 ASP HA H 1 4.052 0.000 A 60 ASP HBy H 1 2.911 0.000 A 60 ASP HBx H 1 2.403 0.000 A 60 ASP CA C 13 56.538 0.000 A 60 ASP CB C 13 41.978 0.000 A 60 ASP N N 15 122.780 0.011 A 61 ARG H H 1 7.966 0.000 A 61 ARG HA H 1 3.719 0.000 A 61 ARG HBy H 1 1.788 0.000 A 61 ARG HBx H 1 1.712 0.000 A 61 ARG HDy H 1 3.175 0.000 A 61 ARG HDx H 1 3.000 0.000 A 61 ARG HG3 H 1 1.498 0.000 A 61 ARG CA C 13 59.537 0.000 A 61 ARG CB C 13 29.604 0.005 A 61 ARG CD C 13 42.995 0.000 A 61 ARG CG C 13 28.572 0.000 A 61 ARG N N 15 117.219 0.000 A 62 GLU H H 1 7.556 0.001 A 62 GLU HA H 1 3.942 0.000 A 62 GLU HBx H 1 1.945 0.000 A 62 GLU HBy H 1 2.065 0.000 A 62 GLU HG3 H 1 2.349 0.000 A 62 GLU CA C 13 59.036 0.000 A 62 GLU CB C 13 29.483 0.000 A 62 GLU CG C 13 35.993 0.000 A 62 GLU N N 15 118.341 0.026 A 63 VAL H H 1 7.398 0.000 A 63 VAL HA H 1 3.581 0.000 A 63 VAL HB H 1 1.458 0.000 A 63 VAL HG1% H 1 0.411 0.000 A 63 VAL HG2% H 1 0.576 0.001 A 63 VAL CA C 13 64.617 0.000 A 63 VAL CB C 13 30.281 0.020 A 63 VAL CG2 C 13 21.151 0.001 A 63 VAL N N 15 116.650 0.000 A 64 LEU H H 1 7.889 0.001 A 64 LEU HA H 1 3.708 0.000 A 64 LEU HBy H 1 1.600 0.000 A 64 LEU HBx H 1 1.410 0.000 A 64 LEU HD1% H 1 0.830 0.000 A 64 LEU HD2% H 1 0.946 0.000 A 64 LEU HG H 1 1.475 0.000 A 64 LEU CA C 13 57.867 0.014 A 64 LEU CB C 13 41.936 0.029 A 64 LEU CD1 C 13 26.088 0.000 A 64 LEU CD2 C 13 24.854 0.000 A 64 LEU CG C 13 26.701 0.000 A 64 LEU N N 15 121.502 0.022 A 65 ASP H H 1 7.846 0.000 A 65 ASP HA H 1 4.392 0.000 A 65 ASP HBy H 1 2.729 0.000 A 65 ASP HBx H 1 2.593 0.000 A 65 ASP CA C 13 57.262 0.000 A 65 ASP CB C 13 39.725 0.000 A 65 ASP N N 15 119.200 0.000 A 66 ASN H H 1 7.480 0.000 A 66 ASN HA H 1 4.503 0.000 A 66 ASN HBy H 1 2.936 0.000 A 66 ASN HBx H 1 2.832 0.000 A 66 ASN CA C 13 56.090 0.000 A 66 ASN CB C 13 38.019 0.018 A 66 ASN N N 15 120.252 0.000 A 67 TRP H H 1 8.730 0.000 A 67 TRP HA H 1 4.499 0.000 A 67 TRP HBy H 1 3.532 0.000 A 67 TRP HBx H 1 3.382 0.000 A 67 TRP CA C 13 58.287 0.003 A 67 TRP CB C 13 28.064 0.000 A 67 TRP N N 15 122.830 0.000 A 68 ARG H H 1 7.976 0.001 A 68 ARG HA H 1 4.843 0.000 A 68 ARG HD2 H 1 4.096 0.000 A 68 ARG HDy H 1 4.096 0.000 A 68 ARG HDx H 1 3.392 0.000 A 68 ARG CA C 13 58.177 0.024 A 68 ARG CB C 13 28.306 0.000 A 68 ARG CD C 13 42.815 0.000 A 68 ARG N N 15 120.279 0.011 A 69 GLU H H 1 8.676 0.000 A 69 GLU HA H 1 4.282 0.000 A 69 GLU HGy H 1 2.399 0.000 A 69 GLU HGx H 1 2.237 0.000 A 69 GLU CA C 13 59.305 0.000 A 69 GLU CB C 13 29.982 0.000 A 69 GLU CG C 13 36.162 0.000 A 69 GLU N N 15 121.656 0.000 A 70 LEU H H 1 7.963 0.000 A 70 LEU HA H 1 4.135 0.000 A 70 LEU HBy H 1 2.395 0.000 A 70 LEU HBx H 1 1.782 0.000 A 70 LEU HD1% H 1 1.241 0.000 A 70 LEU HD2% H 1 1.035 0.003 A 70 LEU HG H 1 2.059 0.000 A 70 LEU CA C 13 58.001 0.000 A 70 LEU CB C 13 42.370 0.000 A 70 LEU CD1 C 13 25.928 0.000 A 70 LEU CD2 C 13 23.982 0.000 A 70 LEU CG C 13 26.858 0.000 A 70 LEU N N 15 120.066 0.000 A 71 GLU H H 1 8.278 0.000 A 71 GLU HA H 1 3.565 0.000 A 71 GLU CA C 13 59.318 0.001 A 71 GLU CB C 13 30.170 0.000 A 71 GLU N N 15 118.326 0.000 A 72 MET H H 1 7.966 0.001 A 72 MET HA H 1 4.163 0.000 A 72 MET HBy H 1 2.748 0.000 A 72 MET HBx H 1 2.609 0.000 A 72 MET CA C 13 57.906 0.004 A 72 MET CB C 13 32.006 0.000 A 72 MET N N 15 117.881 0.007 A 73 LYS H H 1 7.959 0.001 A 73 LYS HA H 1 4.057 0.000 A 73 LYS HBy H 1 2.101 0.000 A 73 LYS HBx H 1 1.927 0.000 A 73 LYS HGy H 1 1.720 0.000 A 73 LYS HGx H 1 1.491 0.000 A 73 LYS CA C 13 58.117 0.000 A 73 LYS CB C 13 32.393 0.025 A 73 LYS CG C 13 25.725 0.000 A 73 LYS N N 15 119.844 0.006 A 74 ALA H H 1 7.504 0.000 A 74 ALA HA H 1 4.017 0.000 A 74 ALA HB% H 1 0.934 0.000 A 74 ALA CA C 13 53.110 0.000 A 74 ALA CB C 13 18.496 0.000 A 74 ALA N N 15 120.588 0.000 A 75 ARG H H 1 7.550 0.000 A 75 ARG HA H 1 3.805 0.000 A 75 ARG CA C 13 57.373 0.000 A 75 ARG CB C 13 27.396 0.000 A 75 ARG N N 15 111.895 0.000 A 76 LYS H H 1 7.810 0.000 A 76 LYS HA H 1 4.114 0.000 A 76 LYS HBy H 1 1.748 0.000 A 76 LYS HBx H 1 1.644 0.000 A 76 LYS HDy H 1 1.182 0.000 A 76 LYS HDx H 1 1.047 0.000 A 76 LYS CA C 13 55.502 0.000 A 76 LYS CB C 13 32.276 0.000 A 76 LYS CD C 13 28.687 0.000 A 76 LYS N N 15 114.585 0.000 A 77 ARG H H 1 7.916 0.000 A 77 ARG HA H 1 4.048 0.000 A 77 ARG CA C 13 55.690 0.000 A 77 ARG CB C 13 30.476 0.000 A 77 ARG N N 15 119.199 0.000 A 78 LEU HA H 1 4.163 0.000 A 78 LEU HBx H 1 0.909 0.000 A 78 LEU HBy H 1 1.096 0.000 A 78 LEU HD1% H 1 -0.218 0.001 A 78 LEU HD2% H 1 0.126 0.000 A 78 LEU HG H 1 1.402 0.000 A 78 LEU CD1 C 13 24.949 0.000 A 78 LEU CD2 C 13 21.867 0.000 A 80 THR H H 1 6.530 0.000 A 80 THR HA H 1 4.526 0.000 A 80 THR HB H 1 3.997 0.000 A 80 THR HG2% H 1 0.693 0.000 A 80 THR CA C 13 58.081 0.000 A 80 THR CB C 13 67.980 0.000 A 80 THR CG2 C 13 19.086 0.000 A 80 THR N N 15 110.230 0.000 A 81 THR H H 1 7.674 0.000 A 81 THR HA H 1 4.260 0.003 A 81 THR HB H 1 4.164 0.000 A 81 THR HG2% H 1 1.214 0.000 A 81 THR CA C 13 61.767 0.000 A 81 THR CB C 13 68.383 0.001 A 81 THR CG2 C 13 23.072 0.000 A 81 THR N N 15 114.552 0.000 A 82 LEU H H 1 8.465 0.001 A 82 LEU HA H 1 3.992 0.000 A 82 LEU HB2 H 1 1.576 0.000 A 82 LEU HB3 H 1 1.576 0.000 A 82 LEU HD2% H 1 0.618 0.000 A 82 LEU HG H 1 1.425 0.000 A 82 LEU CA C 13 52.714 0.001 A 82 LEU CB C 13 39.378 0.022 A 82 LEU CD2 C 13 24.527 0.000 A 82 LEU CG C 13 26.324 0.000 A 82 LEU N N 15 127.155 0.018 A 83 PHE H H 1 6.370 0.001 A 83 PHE HA H 1 5.922 0.002 A 83 PHE HBx H 1 2.520 0.000 A 83 PHE HBy H 1 3.261 0.000 A 83 PHE HDx H 1 6.962 0.003 A 83 PHE HDy H 1 6.962 0.003 A 83 PHE HEx H 1 7.311 0.000 A 83 PHE HEy H 1 7.311 0.000 A 83 PHE CA C 13 53.664 0.000 A 83 PHE CB C 13 43.049 0.000 A 83 PHE CEx C 13 130.372 0.000 A 83 PHE CEy C 13 130.372 0.000 A 83 PHE N N 15 113.552 0.010 A 84 PHE H H 1 9.579 0.000 A 84 PHE HA H 1 5.275 0.000 A 84 PHE HBy H 1 3.294 0.000 A 84 PHE HBx H 1 3.083 0.000 A 84 PHE HDx H 1 7.061 0.000 A 84 PHE HDy H 1 7.061 0.000 A 84 PHE HEx H 1 7.378 0.000 A 84 PHE HEy H 1 7.378 0.000 A 84 PHE CA C 13 55.351 0.000 A 84 PHE CB C 13 42.823 0.029 A 84 PHE CDx C 13 130.731 0.000 A 84 PHE CDy C 13 130.731 0.000 A 84 PHE CEx C 13 131.851 0.000 A 84 PHE CEy C 13 131.851 0.000 A 84 PHE N N 15 116.628 0.000 A 85 ILE H H 1 9.410 0.005 A 85 ILE HA H 1 5.142 0.003 A 85 ILE HB H 1 2.056 0.001 A 85 ILE HD1% H 1 0.795 0.001 A 85 ILE HG1y H 1 1.251 0.000 A 85 ILE HG1x H 1 0.964 0.002 A 85 ILE HG2% H 1 0.629 0.003 A 85 ILE CA C 13 59.286 0.000 A 85 ILE CB C 13 41.287 0.000 A 85 ILE CD1 C 13 14.716 0.000 A 85 ILE CG1 C 13 25.788 0.000 A 85 ILE CG2 C 13 17.712 0.000 A 85 ILE N N 15 113.827 0.001 A 86 GLU H H 1 9.957 0.002 A 86 GLU HA H 1 3.625 0.000 A 86 GLU HBy H 1 2.170 0.000 A 86 GLU HBx H 1 2.064 0.000 A 86 GLU HGy H 1 1.721 0.000 A 86 GLU HGx H 1 1.467 0.005 A 86 GLU CA C 13 60.716 0.000 A 86 GLU CB C 13 29.010 0.000 A 86 GLU CG C 13 35.199 0.000 A 86 GLU N N 15 124.724 0.000 A 87 THR H H 1 7.659 0.000 A 87 THR HA H 1 3.695 0.000 A 87 THR HB H 1 4.323 0.001 A 87 THR HG2% H 1 1.166 0.007 A 87 THR CA C 13 63.680 0.000 A 87 THR CB C 13 67.530 0.000 A 87 THR N N 15 106.336 0.000 A 88 ASP H H 1 7.605 0.000 A 88 ASP HA H 1 4.214 0.000 A 88 ASP HBy H 1 2.491 0.000 A 88 ASP HBx H 1 0.979 0.000 A 88 ASP CA C 13 56.498 0.000 A 88 ASP CB C 13 41.081 0.000 A 88 ASP N N 15 119.814 0.000 A 89 ILE H H 1 6.538 0.000 A 89 ILE HA H 1 3.814 0.006 A 89 ILE HB H 1 1.613 0.001 A 89 ILE HD1% H 1 -0.081 0.000 A 89 ILE HG1y H 1 1.403 0.000 A 89 ILE HG1x H 1 1.356 0.001 A 89 ILE HG2% H 1 0.588 0.001 A 89 ILE CA C 13 58.507 0.000 A 89 ILE CB C 13 36.800 0.000 A 89 ILE CD1 C 13 8.212 0.007 A 89 ILE CG1 C 13 28.083 0.000 A 89 ILE CG2 C 13 17.373 0.000 A 89 ILE N N 15 113.246 0.000 A 90 ARG H H 1 7.721 0.000 A 90 ARG HA H 1 3.616 0.000 A 90 ARG CA C 13 62.065 0.005 A 90 ARG CB C 13 28.893 0.000 A 90 ARG N N 15 119.499 0.000 A 92 MET H H 1 7.549 0.000 A 92 MET HA H 1 4.175 0.000 A 92 MET HBy H 1 2.070 0.000 A 92 MET HBx H 1 2.066 0.000 A 92 MET HGy H 1 2.578 0.000 A 92 MET HGx H 1 2.478 0.000 A 92 MET CA C 13 55.799 0.015 A 92 MET CB C 13 33.950 0.000 A 92 MET CG C 13 31.722 0.000 A 92 MET N N 15 113.492 0.000 A 93 LEU H H 1 7.297 0.001 A 93 LEU HA H 1 4.434 0.000 A 93 LEU HBy H 1 1.808 0.000 A 93 LEU HBx H 1 1.257 0.000 A 93 LEU HD1% H 1 0.762 0.000 A 93 LEU HD2% H 1 0.743 0.003 A 93 LEU HG H 1 1.497 0.000 A 93 LEU CA C 13 52.855 0.000 A 93 LEU CB C 13 42.859 0.000 A 93 LEU CD1 C 13 26.240 0.000 A 93 LEU CD2 C 13 23.253 0.000 A 93 LEU CG C 13 26.079 0.000 A 93 LEU N N 15 117.943 0.014 A 94 GLN H H 1 8.675 0.000 A 94 GLN HA H 1 4.168 0.000 A 94 GLN HBy H 1 2.167 0.000 A 94 GLN HBx H 1 1.913 0.000 A 94 GLN HGy H 1 2.504 0.000 A 94 GLN HGx H 1 2.438 0.000 A 94 GLN CA C 13 56.091 0.013 A 94 GLN CB C 13 29.163 0.000 A 94 GLN CG C 13 33.899 0.000 A 94 GLN N N 15 121.536 0.000 A 95 ASP H H 1 8.804 0.000 A 95 ASP HA H 1 3.884 0.000 A 95 ASP HBy H 1 2.619 0.000 A 95 ASP HBx H 1 2.583 0.000 A 95 ASP CA C 13 58.493 0.000 A 95 ASP CB C 13 40.180 0.018 A 95 ASP N N 15 123.380 0.021 A 96 ARG H H 1 8.652 0.001 A 96 ARG HA H 1 4.089 0.000 A 96 ARG HBy H 1 1.836 0.000 A 96 ARG HBx H 1 1.750 0.000 A 96 ARG HD3 H 1 3.122 0.000 A 96 ARG HGy H 1 1.511 0.000 A 96 ARG HGx H 1 1.478 0.000 A 96 ARG CA C 13 57.807 0.000 A 96 ARG CB C 13 29.431 0.000 A 96 ARG CD C 13 42.918 0.000 A 96 ARG CG C 13 26.722 0.000 A 96 ARG N N 15 115.337 0.007 A 97 LEU H H 1 7.776 0.000 A 97 LEU HA H 1 4.390 0.000 A 97 LEU HBy H 1 1.688 0.000 A 97 LEU HBx H 1 1.581 0.000 A 97 LEU HD11 H 1 0.881 0.000 A 97 LEU HD12 H 1 0.938 0.000 A 97 LEU HD13 H 1 0.938 0.000 A 97 LEU HD21 H 1 0.874 0.000 A 97 LEU HD22 H 1 0.881 0.000 A 97 LEU HD23 H 1 0.881 0.000 A 97 LEU HG H 1 1.586 0.000 A 97 LEU CA C 13 54.411 0.000 A 97 LEU CB C 13 44.094 0.012 A 97 LEU CD1 C 13 25.111 0.003 A 97 LEU CD2 C 13 24.026 0.000 A 97 LEU CG C 13 27.323 0.000 A 97 LEU N N 15 118.485 0.000 A 98 ARG H H 1 7.553 0.000 A 98 ARG HA H 1 3.909 0.000 A 98 ARG CA C 13 62.291 0.001 A 98 ARG CB C 13 27.825 0.000 A 98 ARG N N 15 119.863 0.000 A 100 SER H H 1 7.616 0.000 A 100 SER HA H 1 4.360 0.000 A 100 SER HBy H 1 3.943 0.000 A 100 SER HBx H 1 3.859 0.000 A 100 SER CA C 13 59.923 0.000 A 100 SER CB C 13 63.304 0.012 A 100 SER N N 15 111.387 0.000 A 101 PHE H H 1 7.722 0.000 A 101 PHE HA H 1 3.706 0.001 A 101 PHE HBx H 1 2.816 0.000 A 101 PHE HBy H 1 3.283 0.000 A 101 PHE HDx H 1 6.928 0.005 A 101 PHE HDy H 1 6.928 0.005 A 101 PHE HEx H 1 7.004 0.004 A 101 PHE HEy H 1 7.004 0.004 A 101 PHE CA C 13 62.716 0.000 A 101 PHE CB C 13 38.645 0.000 A 101 PHE CEx C 13 130.731 0.000 A 101 PHE CEy C 13 130.731 0.000 A 101 PHE N N 15 123.367 0.000 A 102 ALA H H 1 8.525 0.001 A 102 ALA HA H 1 3.876 0.002 A 102 ALA HB% H 1 1.451 0.000 A 102 ALA CA C 13 54.538 0.010 A 102 ALA CB C 13 18.130 0.001 A 102 ALA N N 15 117.466 0.035 A 103 LYS H H 1 7.000 0.000 A 103 LYS HA H 1 4.065 0.000 A 103 LYS HBy H 1 2.029 0.000 A 103 LYS HBx H 1 1.801 0.000 A 103 LYS HDy H 1 1.621 0.000 A 103 LYS HDx H 1 1.523 0.000 A 103 LYS CA C 13 56.736 0.000 A 103 LYS CB C 13 32.047 0.000 A 103 LYS CD C 13 28.370 0.000 A 103 LYS N N 15 115.077 0.000 A 104 ALA H H 1 7.955 0.000 A 104 ALA HA H 1 3.808 0.000 A 104 ALA HB% H 1 1.196 0.001 A 104 ALA CA C 13 53.999 0.000 A 104 ALA CB C 13 17.915 0.000 A 104 ALA N N 15 119.948 0.000 A 105 ILE H H 1 7.030 0.001 A 105 ILE HA H 1 3.449 0.002 A 105 ILE HB H 1 2.071 0.005 A 105 ILE HD1% H 1 -0.370 0.001 A 105 ILE CA C 13 64.199 0.000 A 105 ILE CB C 13 32.997 0.000 A 105 ILE CD1 C 13 7.609 0.009 A 105 ILE N N 15 116.011 0.003 A 106 PRO HA H 1 4.033 0.002 A 106 PRO HBx H 1 1.770 0.000 A 106 PRO HBy H 1 2.292 0.002 A 106 PRO CA C 13 65.922 0.075 A 106 PRO CB C 13 30.963 0.010 A 106 PRO CD C 13 49.326 0.000 A 106 PRO CG C 13 28.071 0.000 A 107 CYS H H 1 6.558 0.002 A 107 CYS HA H 1 3.874 0.000 A 107 CYS HBy H 1 3.140 0.002 A 107 CYS HBx H 1 2.426 0.001 A 107 CYS CA C 13 61.937 0.000 A 107 CYS CB C 13 26.904 0.091 A 107 CYS N N 15 115.533 0.000 A 108 LEU HA H 1 3.853 0.000 A 108 LEU HD11 H 1 0.577 0.000 A 108 LEU HD12 H 1 0.592 0.000 A 108 LEU HD13 H 1 0.592 0.000 A 108 LEU HD21 H 1 0.499 0.000 A 108 LEU HD22 H 1 0.581 0.000 A 108 LEU HD23 H 1 0.499 0.000 A 108 LEU CD1 C 13 23.440 0.030 A 108 LEU CD2 C 13 23.440 0.030 A 109 ARG H H 1 8.507 0.000 A 109 ARG HA H 1 4.392 0.000 A 109 ARG HBx H 1 1.774 0.000 A 109 ARG HBy H 1 1.960 0.000 A 109 ARG HDy H 1 3.210 0.000 A 109 ARG HDx H 1 3.085 0.000 A 109 ARG HGy H 1 1.701 0.000 A 109 ARG HGx H 1 1.435 0.000 A 109 ARG CA C 13 58.461 0.006 A 109 ARG CB C 13 30.267 0.000 A 109 ARG CD C 13 43.593 0.000 A 109 ARG CG C 13 27.271 0.000 A 109 ARG N N 15 120.576 0.000 A 110 HIS H H 1 7.998 0.000 A 110 HIS HA H 1 4.086 0.000 A 110 HIS HB3 H 1 3.272 0.000 A 110 HIS CA C 13 60.758 0.000 A 110 HIS CB C 13 30.895 0.000 A 110 HIS N N 15 122.218 0.000 A 111 ILE H H 1 6.904 0.000 A 111 ILE HA H 1 4.330 0.000 A 111 ILE HB H 1 2.182 0.000 A 111 ILE HD1% H 1 0.736 0.000 A 111 ILE HG2% H 1 0.863 0.000 A 111 ILE CA C 13 60.593 0.000 A 111 ILE CB C 13 36.950 0.000 A 111 ILE CD1 C 13 15.250 0.000 A 111 ILE CG2 C 13 18.472 0.000 A 111 ILE N N 15 105.612 0.000 A 112 ARG H H 1 7.660 0.000 A 112 ARG HA H 1 3.901 0.000 A 112 ARG HDx H 1 3.048 0.000 A 112 ARG HDy H 1 3.124 0.000 A 112 ARG CA C 13 57.315 0.015 A 112 ARG CB C 13 26.240 0.000 A 112 ARG CD C 13 42.991 0.000 A 112 ARG N N 15 114.782 0.000 A 113 ARG H H 1 8.149 0.000 A 113 ARG HA H 1 4.250 0.000 A 113 ARG HGy H 1 1.769 0.000 A 113 ARG HGx H 1 1.678 0.000 A 113 ARG CA C 13 55.654 0.007 A 113 ARG CB C 13 33.122 0.000 A 113 ARG CG C 13 26.848 0.000 A 113 ARG N N 15 114.996 0.012 A 114 ILE H H 1 6.810 0.001 A 114 ILE HA H 1 4.874 0.003 A 114 ILE HB H 1 1.571 0.003 A 114 ILE HD1% H 1 0.731 0.004 A 114 ILE HG1x H 1 1.070 0.000 A 114 ILE HG1y H 1 1.077 0.000 A 114 ILE CA C 13 56.602 0.000 A 114 ILE CB C 13 42.400 0.024 A 114 ILE CD1 C 13 12.443 0.000 A 114 ILE CG1 C 13 26.575 0.000 A 114 ILE N N 15 112.019 0.021 A 115 ARG H H 1 8.822 0.001 A 115 ARG HA H 1 4.357 0.000 A 115 ARG HBy H 1 1.450 0.000 A 115 ARG HBx H 1 1.257 0.000 A 115 ARG HGy H 1 0.630 0.000 A 115 ARG HGx H 1 0.577 0.000 A 115 ARG CA C 13 54.112 0.000 A 115 ARG CB C 13 33.058 0.011 A 115 ARG CG C 13 27.292 0.000 A 115 ARG N N 15 122.894 0.000 A 116 GLU H H 1 8.329 0.001 A 116 GLU HA H 1 5.315 0.000 A 116 GLU HBy H 1 1.709 0.000 A 116 GLU HBx H 1 1.557 0.004 A 116 GLU CA C 13 53.102 0.002 A 116 GLU CB C 13 34.934 0.051 A 116 GLU N N 15 118.962 0.016 A 117 GLU H H 1 9.028 0.000 A 117 GLU HA H 1 4.531 0.000 A 117 GLU HGy H 1 2.034 0.000 A 117 GLU HGx H 1 1.973 0.000 A 117 GLU CA C 13 55.112 0.000 A 117 GLU CB C 13 33.333 0.000 A 117 GLU CG C 13 35.487 0.000 A 117 GLU N N 15 124.627 0.000 A 118 ARG H H 1 8.952 0.000 A 118 ARG HA H 1 4.612 0.000 A 118 ARG HBy H 1 1.777 0.000 A 118 ARG HBx H 1 1.670 0.000 A 118 ARG HD3 H 1 3.052 0.000 A 118 ARG HG3 H 1 1.497 0.000 A 118 ARG CA C 13 55.793 0.001 A 118 ARG CB C 13 30.141 0.000 A 118 ARG CD C 13 42.988 0.000 A 118 ARG CG C 13 27.102 0.000 A 118 ARG N N 15 127.916 0.004 A 119 CYS H H 1 8.831 0.000 A 119 CYS HA H 1 4.658 0.000 A 119 CYS HBy H 1 2.935 0.000 A 119 CYS HBx H 1 2.766 0.001 A 119 CYS CA C 13 56.448 0.001 A 119 CYS CB C 13 28.192 0.096 A 119 CYS N N 15 126.785 0.000 A 120 GLY H H 1 8.873 0.000 A 120 GLY HAy H 1 4.198 0.000 A 120 GLY HAx H 1 3.496 0.000 A 120 GLY CA C 13 44.512 0.001 A 120 GLY N N 15 117.456 0.000 A 122 LEU H H 1 7.270 0.000 A 122 LEU HA H 1 4.438 0.000 A 122 LEU HBy H 1 1.496 0.004 A 122 LEU HBx H 1 0.901 0.000 A 122 LEU HD1% H 1 0.787 0.000 A 122 LEU HD2% H 1 0.654 0.000 A 122 LEU HG H 1 1.231 0.000 A 122 LEU CA C 13 53.609 0.000 A 122 LEU CB C 13 44.979 0.022 A 122 LEU CD1 C 13 25.434 0.000 A 122 LEU CD2 C 13 23.984 0.000 A 122 LEU CG C 13 26.878 0.000 A 122 LEU N N 15 121.777 0.000 A 123 THR H H 1 7.649 0.001 A 123 THR HA H 1 4.407 0.000 A 123 THR HB H 1 3.552 0.000 A 123 THR HG2% H 1 0.484 0.003 A 123 THR CA C 13 61.769 0.003 A 123 THR CB C 13 69.263 0.000 A 123 THR CG2 C 13 22.163 0.000 A 123 THR N N 15 118.668 0.021 A 124 PHE H H 1 8.553 0.001 A 124 PHE HA H 1 4.271 0.001 A 124 PHE HBy H 1 2.677 0.000 A 124 PHE HBx H 1 2.325 0.000 A 124 PHE HDx H 1 6.549 0.005 A 124 PHE HDy H 1 6.549 0.005 A 124 PHE HEx H 1 6.630 0.005 A 124 PHE HEy H 1 6.630 0.005 A 124 PHE CA C 13 56.587 0.000 A 124 PHE CB C 13 42.028 0.000 A 124 PHE CDx C 13 131.756 0.000 A 124 PHE CDy C 13 131.756 0.000 A 124 PHE CEx C 13 130.275 0.000 A 124 PHE CEy C 13 130.275 0.000 A 124 PHE N N 15 125.265 0.007 A 125 TYR H H 1 8.616 0.000 A 125 TYR HA H 1 5.286 0.000 A 125 TYR HBy H 1 2.001 0.000 A 125 TYR HBx H 1 0.781 0.000 A 125 TYR HDx H 1 6.637 0.000 A 125 TYR HDy H 1 6.637 0.000 A 125 TYR HEx H 1 6.748 0.010 A 125 TYR HEy H 1 6.748 0.010 A 125 TYR CA C 13 55.750 0.004 A 125 TYR CB C 13 40.118 0.003 A 125 TYR CDx C 13 133.175 0.000 A 125 TYR CDy C 13 133.175 0.000 A 125 TYR CEx C 13 117.736 0.000 A 125 TYR CEy C 13 117.736 0.000 A 125 TYR N N 15 118.544 0.000 A 126 TYR H H 1 8.357 0.000 A 126 TYR HA H 1 5.260 0.003 A 126 TYR HBy H 1 2.926 0.006 A 126 TYR HBx H 1 2.833 0.002 A 126 TYR HDx H 1 6.721 0.004 A 126 TYR HDy H 1 6.721 0.004 A 126 TYR HEx H 1 6.410 0.000 A 126 TYR HEy H 1 6.410 0.000 A 126 TYR CA C 13 53.928 0.000 A 126 TYR CB C 13 37.942 0.000 A 126 TYR CDx C 13 133.992 0.000 A 126 TYR CDy C 13 133.992 0.000 A 126 TYR CEx C 13 117.660 0.000 A 126 TYR CEy C 13 117.660 0.000 A 126 TYR N N 15 115.848 0.000 A 127 PRO HA H 1 4.622 0.003 A 127 PRO HGx H 1 2.137 0.000 A 127 PRO HGy H 1 2.154 0.000 A 127 PRO CA C 13 62.929 0.000 A 127 PRO CG C 13 28.601 0.000 A 128 GLY H H 1 7.730 0.003 A 128 GLY HAy H 1 3.803 0.000 A 128 GLY HAx H 1 3.648 0.003 A 128 GLY CA C 13 44.707 0.001 A 128 GLY N N 15 108.039 0.055 A 129 SER H H 1 8.102 0.001 A 129 SER HA H 1 4.438 0.000 A 129 SER HBy H 1 3.857 0.000 A 129 SER HBx H 1 3.782 0.000 A 129 SER CA C 13 57.566 0.003 A 129 SER CB C 13 63.772 0.000 A 129 SER N N 15 114.228 0.009 A 130 SER H H 1 8.411 0.000 A 130 SER CA C 13 58.909 0.000 A 130 SER CB C 13 63.810 0.000 A 130 SER N N 15 117.783 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 81 THR HA A 83 PHE H 1.0 . 5.17 2 2 A 116 GLU HBx A 126 TYR H 1.0 . 5.75 3 3 A 26 LEU HBy A 27 THR H 1.0 . 3.98 4 4 A 94 GLN HA A 96 ARG H 1.0 . 5.40 5 5 A 118 ARG H A 118 ARG HA 1.0 . 3.97 6 6 A 114 ILE H A 114 ILE HB 1.0 . 4.16 7 7 A 61 ARG H A 63 VAL HG2% 1.0 . 5.57 8 8 A 89 ILE HA A 93 LEU H 1.0 . 5.59 9 9 A 36 SER H A 37 LYS HB3 1.0 . 5.25 10 10 A 93 LEU H A 92 MET HA 1.0 . 4.33 11 11 A 16 LYS HGx A 17 THR H 1.0 . 5.14 12 12 A 94 GLN H A 97 LEU HBx 1.0 . 4.68 13 13 A 28 LEU H A 29 GLU HBx 1.0 . 5.47 14 14 A 33 GLU HGx A 34 ILE H 1.0 . 4.27 15 15 A 107 CYS H A 107 CYS HBx 1.0 . 3.91 16 16 A 53 ASN H A 53 ASN HBx 1.0 . 5.89 17 17 A 96 ARG HA A 97 LEU H 1.0 . 4.24 18 18 A 94 GLN HBx A 95 ASP H 1.0 . 4.58 19 19 A 102 ALA HB% A 105 ILE H 1.0 . 4.88 20 20 A 20 LYS H A 20 LYS HBy 1.0 . 3.99 21 21 A 41 PHE H A 43 MET HBx 1.0 . 5.48 22 22 A 20 LYS H A 23 LEU HD11 1.0 . 5.98 23 23 A 27 THR HA A 31 MET H 1.0 . 5.34 24 24 A 118 ARG H A 117 GLU HA 1.0 . 3.12 25 25 A 47 LYS HBx A 49 LEU H 1.0 . 5.31 26 26 A 88 ASP H A 88 ASP HA 1.0 . 3.87 27 27 A 101 PHE HA A 104 ALA H 1.0 . 4.04 28 28 A 47 LYS HGx A 48 ILE H 1.0 . 5.35 29 29 A 47 LYS H A 82 LEU HD2% 1.0 . 5.28 30 30 A 60 ASP HA A 62 GLU H 1.0 . 4.87 31 31 A 64 LEU HD2% A 65 ASP H 1.0 . 4.84 32 32 A 66 ASN H A 66 ASN HBx 1.0 . 3.53 33 33 A 38 MET H A 39 ASP HBx 1.0 . 5.50 34 34 A 118 ARG H A 123 THR HG2% 1.0 . 5.04 35 35 A 16 LYS HGx A 14 GLU H 1.0 . 5.52 36 36 A 128 GLY H A 128 GLY HAx 1.0 . 3.89 37 37 A 31 MET HA A 32 ASN H 1.0 . 4.41 38 38 A 31 MET H A 30 MET HGx 1.0 . 7.34 39 39 A 23 LEU HD2% A 26 LEU H 1.0 . 4.67 40 40 A 114 ILE H A 128 GLY HAx 1.0 . 5.31 41 41 A 31 MET H A 26 LEU HD2% 1.0 . 4.52 42 42 A 34 ILE HA A 35 VAL H 1.0 . 4.54 43 43 A 21 TYR HA A 24 GLY H 1.0 . 4.72 44 44 A 31 MET H A 30 MET HBx 1.0 . 4.40 45 45 A 48 ILE HA A 50 GLY H 1.0 . 4.99 46 46 A 51 LYS H A 51 LYS HB3 1.0 . 3.95 47 47 A 57 THR H A 60 ASP HBx 1.0 . 4.20 48 48 A 17 THR H A 16 LYS HBx 1.0 . 4.52 49 49 A 83 PHE HBy A 84 PHE H 1.0 . 4.19 50 50 A 12 ASP HB3 A 13 GLU H 1.0 . 3.55 51 51 A 84 PHE H A 125 TYR HBx 1.0 . 4.85 52 52 A 102 ALA H A 104 ALA HB% 1.0 . 5.26 53 53 A 50 GLY H A 49 LEU HD1% 1.0 . 4.92 54 54 A 54 LYS HBx A 55 GLN H 1.0 . 4.18 55 55 A 48 ILE H A 46 SER HA 1.0 . 5.43 56 56 A 5 ARG HDx A 6 ILE H 1.0 . 5.38 57 57 A 84 PHE H A 124 PHE HD% 1.0 . 5.45 58 58 A 94 GLN H A 93 LEU HA 1.0 . 3.15 59 59 A 65 ASP H A 64 LEU H 1.0 . 3.77 60 60 A 102 ALA HA A 103 LYS H 1.0 . 4.33 61 61 A 120 GLY HAx A 122 LEU H 1.0 . 5.07 62 62 A 80 THR H A 80 THR HB 1.0 . 5.12 63 63 A 58 ARG H A 58 ARG HBx 1.0 . 4.35 64 64 A 16 LYS HGx A 15 PHE H 1.0 . 5.37 65 65 A 122 LEU HD1% A 123 THR H 1.0 . 4.26 66 66 A 28 LEU H A 15 PHE HE% 1.0 . 4.44 67 67 A 4 ILE H A 4 ILE HB 1.0 . 3.39 68 68 A 35 VAL H A 35 VAL HA 1.0 . 4.01 69 69 A 83 PHE H A 82 LEU HB3 1.0 . 5.42 70 70 A 14 GLU H A 17 THR HG2% 1.0 . 5.32 71 71 A 4 ILE H A 3 ASP HBy 1.0 . 4.40 72 72 A 61 ARG H A 62 GLU HA 1.0 . 5.26 73 73 A 72 MET H A 72 MET HBx 1.0 . 3.87 74 74 A 41 PHE HD% A 89 ILE H 1.0 . 5.16 75 75 A 111 ILE HB A 113 ARG H 1.0 . 5.19 76 76 A 72 MET HA A 75 ARG H 1.0 . 4.76 77 77 A 70 LEU HA A 73 LYS H 1.0 . 3.63 78 78 A 105 ILE H A 101 PHE HA 1.0 . 3.96 79 79 A 84 PHE H A 83 PHE HD% 1.0 . 4.15 80 80 A 32 ASN H A 29 GLU HGx 1.0 . 4.75 81 81 A 73 LYS HA A 74 ALA H 1.0 . 3.95 82 82 A 129 SER HA A 130 SER H 1.0 . 5.29 83 83 A 114 ILE H A 114 ILE HD1% 1.0 . 3.86 84 84 A 89 ILE HD1% A 90 ARG H 1.0 . 5.03 85 85 A 118 ARG H A 119 CYS HBx 1.0 . 6.68 86 86 A 45 LYS H A 46 SER H 1.0 . 3.88 87 87 A 86 GLU HGx A 87 THR H 1.0 . 5.16 88 88 A 56 LEU HG A 60 ASP H 1.0 . 4.55 89 89 A 34 ILE HD1% A 101 PHE H 1.0 . 4.79 90 90 A 21 TYR H A 22 GLN HA 1.0 . 6.00 91 91 A 118 ARG H A 118 ARG HBx 1.0 . 3.61 92 92 A 27 THR H A 30 MET HGy 1.0 . 4.82 93 93 A 75 ARG HA A 76 LYS H 1.0 . 4.69 94 94 A 46 SER H A 42 LEU HBx 1.0 . 5.15 95 95 A 111 ILE H A 111 ILE HG2% 1.0 . 3.83 96 96 A 4 ILE HA A 5 ARG H 1.0 . 2.88 97 97 A 47 LYS HBx A 44 LYS H 1.0 . 4.52 98 98 A 50 GLY H A 50 GLY HAx 1.0 . 3.84 99 99 A 60 ASP H A 59 SER HA 1.0 . 4.41 100 100 A 114 ILE HG1y A 115 ARG H 1.0 . 5.56 101 101 A 87 THR H A 85 ILE H 1.0 . 5.58 102 102 A 82 LEU H A 126 TYR HD% 1.0 . 6.21 103 103 A 87 THR H A 86 GLU HBx 1.0 . 4.60 104 104 A 3 ASP HBy A 3 ASP H 1.0 . 4.54 105 105 A 115 ARG H A 126 TYR HBx 1.0 . 5.90 106 106 A 102 ALA H A 100 SER HA 1.0 . 4.88 107 107 A 28 LEU H A 27 THR HB 1.0 . 3.61 108 108 A 123 THR HG2% A 123 THR H 1.0 . 4.30 109 109 A 34 ILE HD1% A 33 GLU H 1.0 . 5.21 110 110 A 31 MET H A 31 MET HBx 1.0 . 3.59 111 111 A 32 ASN H A 28 LEU HA 1.0 . 4.98 112 112 A 10 ILE H A 10 ILE HG2% 1.0 . 5.06 113 113 A 22 GLN HGx A 23 LEU H 1.0 . 4.74 114 114 A 81 THR HA A 81 THR H 1.0 . 4.32 115 115 A 120 GLY HAx A 120 GLY H 1.0 . 4.82 116 116 A 115 ARG H A 114 ILE HA 1.0 . 3.49 117 117 A 64 LEU H A 64 LEU HBx 1.0 . 3.59 118 118 A 15 PHE HBy A 16 LYS H 1.0 . 4.41 119 119 A 119 CYS HBx A 120 GLY H 1.0 . 6.29 120 120 A 87 THR H A 85 ILE HG1x 1.0 . 4.30 121 121 A 61 ARG H A 61 ARG HA 1.0 . 3.74 122 122 A 123 THR HG2% A 124 PHE H 1.0 . 3.75 123 123 A 10 ILE H A 10 ILE HG1x 1.0 . 3.77 124 124 A 60 ASP H A 59 SER HBx 1.0 . 4.24 125 125 A 49 LEU H A 48 ILE HB 1.0 . 4.31 126 126 A 105 ILE H A 104 ALA HB% 1.0 . 4.01 127 127 A 60 ASP HA A 64 LEU H 1.0 . 4.81 128 128 A 87 THR H A 87 THR HA 1.0 . 4.09 129 129 A 107 CYS H A 105 ILE HA 1.0 . 5.04 130 130 A 28 LEU HG A 29 GLU H 1.0 . 4.79 131 131 A 39 ASP H A 39 ASP HBy 1.0 . 3.76 132 132 A 17 THR HB A 18 ILE H 1.0 . 5.11 133 133 A 100 SER H A 100 SER HBx 1.0 . 4.02 134 134 A 32 ASN H A 33 GLU HA 1.0 . 5.32 135 135 A 102 ALA HB% A 101 PHE H 1.0 . 4.58 136 136 A 22 GLN HGx A 22 GLN H 1.0 . 4.00 137 137 A 65 ASP HA A 68 ARG H 1.0 . 4.63 138 138 A 126 TYR HD% A 116 GLU H 1.0 . 5.30 139 139 A 51 LYS H A 50 GLY HAy 1.0 . 4.25 140 140 A 18 ILE H A 18 ILE HG21 1.0 . 3.64 141 141 A 109 ARG HA A 112 ARG H 1.0 . 4.51 142 142 A 124 PHE H A 124 PHE HA 1.0 . 4.40 143 143 A 32 ASN H A 30 MET HA 1.0 . 5.15 144 144 A 90 ARG H A 89 ILE HB 1.0 . 3.75 145 145 A 61 ARG H A 63 VAL HG1% 1.0 . 5.85 146 146 A 32 ASN H A 31 MET HGx 1.0 . 5.36 147 147 A 93 LEU H A 93 LEU HBx 1.0 . 3.69 148 148 A 72 MET H A 72 MET HA 1.0 . 3.51 149 149 A 83 PHE HA A 125 TYR H 1.0 . 5.48 150 150 A 65 ASP H A 64 LEU HA 1.0 . 4.07 151 151 A 22 GLN H A 23 LEU HG 1.0 . 4.68 152 152 A 66 ASN H A 62 GLU HA 1.0 . 4.71 153 153 A 50 GLY H A 49 LEU HG 1.0 . 4.64 154 154 A 105 ILE H A 105 ILE HG1y 1.0 . 3.77 155 155 A 34 ILE H A 30 MET HA 1.0 . 5.02 156 156 A 103 LYS H A 100 SER HA 1.0 . 4.10 157 157 A 114 ILE HD1% A 109 ARG H 1.0 . 4.30 158 158 A 93 LEU H A 93 LEU HBy 1.0 . 4.36 159 159 A 80 THR H A 82 LEU H 1.0 . 5.96 160 160 A 72 MET H A 71 GLU HA 1.0 . 4.28 161 161 A 93 LEU H A 93 LEU HD1% 1.0 . 3.99 162 162 A 88 ASP H A 86 GLU HA 1.0 . 4.74 163 163 A 65 ASP HA A 67 TRP H 1.0 . 5.11 164 164 A 22 GLN HA A 22 GLN H 1.0 . 3.67 165 165 A 51 LYS HDy A 52 THR H 1.0 . 5.14 166 166 A 17 THR H A 16 LYS HA 1.0 . 3.92 167 167 A 21 TYR H A 20 LYS HGy 1.0 . 5.56 168 168 A 74 ALA H A 73 LYS HBx 1.0 . 4.48 169 169 A 126 TYR H A 126 TYR HA 1.0 . 3.54 170 170 A 11 THR HA A 12 ASP H 1.0 . 3.20 171 171 A 122 LEU H A 120 GLY HAy 1.0 . 4.73 172 172 A 47 LYS HBx A 48 ILE H 1.0 . 4.26 173 173 A 34 ILE HA A 33 GLU H 1.0 . 5.31 174 174 A 74 ALA H A 73 LYS HBy 1.0 . 4.24 175 175 A 85 ILE H A 124 PHE HA 1.0 . 6.54 176 176 A 76 LYS H A 76 LYS HBx 1.0 . 5.85 177 177 A 31 MET H A 30 MET HA 1.0 . 4.38 178 178 A 85 ILE H A 85 ILE HB 1.0 . 5.03 179 179 A 116 GLU H A 116 GLU HA 1.0 . 4.12 180 180 A 16 LYS H A 16 LYS HA 1.0 . 3.49 181 181 A 67 TRP H A 65 ASP HBx 1.0 . 5.56 182 182 A 44 LYS H A 41 PHE HA 1.0 . 4.48 183 183 A 50 GLY H A 49 LEU HD2% 1.0 . 4.76 184 184 A 26 LEU H A 25 ARG HA 1.0 . 3.63 185 185 A 126 TYR H A 117 GLU H 1.0 . 5.56 186 186 A 112 ARG H A 111 ILE HA 1.0 . 4.11 187 187 A 62 GLU H A 63 VAL HG1% 1.0 . 4.95 188 188 A 65 ASP H A 63 VAL HG1% 1.0 . 5.17 189 189 A 43 MET HBx A 43 MET H 1.0 . 3.72 190 190 A 58 ARG HBy A 59 SER H 1.0 . 4.44 191 191 A 65 ASP H A 63 VAL HA 1.0 . 4.65 192 192 A 72 MET H A 71 GLU H 1.0 . 3.89 193 193 A 94 GLN H A 93 LEU HBx 1.0 . 4.19 194 194 A 87 THR H A 86 GLU HGy 1.0 . 5.67 195 195 A 73 LYS H A 73 LYS HGx 1.0 . 4.00 196 196 A 107 CYS H A 108 LEU HD21 1.0 . 5.07 197 197 A 119 CYS H A 122 LEU HBx 1.0 . 5.29 198 198 A 66 ASN H A 63 VAL HG1% 1.0 . 5.28 199 199 A 88 ASP H A 87 THR HG2% 1.0 . 4.81 200 200 A 9 GLN H A 9 GLN HBx 1.0 . 3.65 201 201 A 103 LYS H A 103 LYS HBx 1.0 . 3.83 202 202 A 89 ILE H A 89 ILE HB 1.0 . 4.04 203 203 A 48 ILE H A 47 LYS HGy 1.0 . 5.56 204 204 A 67 TRP H A 65 ASP HBy 1.0 . 5.55 205 205 A 76 LYS HBx A 77 ARG H 1.0 . 4.98 206 206 A 15 PHE H A 14 GLU HA 1.0 . 4.39 207 207 A 10 ILE H A 10 ILE HA 1.0 . 4.61 208 208 A 66 ASN H A 65 ASP HBy 1.0 . 3.85 209 209 A 105 ILE H A 105 ILE HG1x 1.0 . 3.84 210 210 A 26 LEU HD2% A 30 MET H 1.0 . 4.99 211 211 A 124 PHE H A 123 THR HA 1.0 . 3.35 212 212 A 61 ARG H A 60 ASP HBy 1.0 . 4.16 213 213 A 90 ARG H A 87 THR HG2% 1.0 . 5.21 214 214 A 89 ILE H A 92 MET HBx 1.0 . 6.05 215 215 A 12 ASP H A 13 GLU HBy 1.0 . 5.43 216 216 A 68 ARG H A 68 ARG HDx 1.0 . 5.92 217 217 A 26 LEU H A 26 LEU HD1% 1.0 . 3.69 218 218 A 22 GLN H A 23 LEU HA 1.0 . 4.87 219 219 A 46 SER H A 46 SER HBx 1.0 . 3.67 220 220 A 41 PHE H A 40 ASP HBx 1.0 . 4.03 221 221 A 17 THR HG2% A 18 ILE H 1.0 . 3.56 222 222 A 126 TYR H A 125 TYR HBy 1.0 . 4.51 223 223 A 119 CYS H A 123 THR HA 1.0 . 3.98 224 224 A 80 THR H A 81 THR H 1.0 . 5.24 225 225 A 115 ARG H A 115 ARG HGx 1.0 . 4.76 226 226 A 66 ASN HA A 69 GLU H 1.0 . 4.92 227 227 A 114 ILE HD1% A 115 ARG H 1.0 . 3.79 228 228 A 94 GLN H A 93 LEU HD1% 1.0 . 4.24 229 229 A 95 ASP H A 94 GLN HGx 1.0 . 4.94 230 230 A 71 GLU H A 72 MET HBy 1.0 . 5.88 231 231 A 15 PHE H A 14 GLU HGx 1.0 . 5.06 232 232 A 84 PHE H A 126 TYR HD% 1.0 . 5.28 233 233 A 82 LEU H A 81 THR HB 1.0 . 4.89 234 234 A 97 LEU H A 97 LEU HD11 1.0 . 4.48 235 235 A 119 CYS HBx A 119 CYS H 1.0 . 4.29 236 236 A 76 LYS H A 77 ARG HA 1.0 . 5.89 237 237 A 26 LEU HD2% A 100 SER H 1.0 . 4.90 238 238 A 63 VAL H A 63 VAL HB 1.0 . 3.63 239 239 A 56 LEU H A 56 LEU HB3 1.0 . 3.36 240 240 A 62 GLU H A 61 ARG HG3 1.0 . 4.88 241 241 A 93 LEU HBy A 92 MET H 1.0 . 5.39 242 242 A 88 ASP HA A 87 THR H 1.0 . 6.31 243 243 A 97 LEU H A 96 ARG HD3 1.0 . 5.64 244 244 A 119 CYS H A 118 ARG HBy 1.0 . 4.32 245 245 A 53 ASN H A 52 THR HB 1.0 . 5.58 246 246 A 95 ASP H A 95 ASP HBx 1.0 . 4.06 247 247 A 66 ASN H A 66 ASN HBy 1.0 . 3.67 248 248 A 55 GLN H A 51 LYS HGx 1.0 . 5.66 249 249 A 97 LEU H A 98 ARG HA 1.0 . 4.70 250 250 A 41 PHE HA A 42 LEU H 1.0 . 4.68 251 251 A 101 PHE H A 103 LYS HBy 1.0 . 4.98 252 252 A 31 MET HA A 35 VAL H 1.0 . 4.60 253 253 A 113 ARG H A 112 ARG HA 1.0 . 4.16 254 254 A 109 ARG H A 109 ARG HBy 1.0 . 3.95 255 255 A 9 GLN H A 8 PRO HA 1.0 . 3.18 256 256 A 61 ARG H A 58 ARG HA 1.0 . 4.26 257 257 A 55 GLN H A 54 LYS HBy 1.0 . 4.36 258 258 A 21 TYR H A 20 LYS HA 1.0 . 5.15 259 259 A 85 ILE H A 84 PHE HBx 1.0 . 4.62 260 260 A 21 TYR HA A 22 GLN H 1.0 . 4.39 261 261 A 109 ARG HGx A 110 HIS H 1.0 . 5.08 262 262 A 61 ARG H A 61 ARG HBx 1.0 . 3.67 263 263 A 105 ILE H A 105 ILE HB 1.0 . 3.65 264 264 A 116 GLU HBx A 116 GLU H 1.0 . 4.07 265 265 A 42 LEU H A 41 PHE HBx 1.0 . 4.40 266 266 A 104 ALA H A 103 LYS HA 1.0 . 3.61 267 267 A 35 VAL H A 35 VAL HB 1.0 . 3.66 268 268 A 48 ILE HA A 51 LYS H 1.0 . 4.36 269 269 A 81 THR H A 82 LEU HB2 1.0 . 5.39 270 270 A 61 ARG H A 56 LEU HG 1.0 . 4.70 271 271 A 93 LEU HD1% A 92 MET H 1.0 . 4.82 272 272 A 107 CYS H A 104 ALA HB% 1.0 . 5.14 273 273 A 65 ASP H A 65 ASP HBy 1.0 . 3.44 274 274 A 95 ASP H A 95 ASP HBy 1.0 . 4.15 275 275 A 48 ILE H A 47 LYS HA 1.0 . 4.59 276 276 A 84 PHE H A 83 PHE HA 1.0 . 3.67 277 277 A 118 ARG H A 117 GLU HGx 1.0 . 4.45 278 278 A 88 ASP H A 89 ILE HG1x 1.0 . 4.98 279 279 A 125 TYR H A 85 ILE HA 1.0 . 4.91 280 280 A 117 GLU H A 123 THR HA 1.0 . 4.90 281 281 A 73 LYS H A 74 ALA HB% 1.0 . 4.71 282 282 A 26 LEU H A 26 LEU HBx 1.0 . 3.38 283 283 A 111 ILE H A 111 ILE HA 1.0 . 3.98 284 284 A 74 ALA H A 75 ARG HA 1.0 . 4.75 285 285 A 23 LEU H A 24 GLY HAx 1.0 . 5.03 286 286 A 97 LEU H A 94 GLN HBx 1.0 . 4.63 287 287 A 47 LYS H A 47 LYS HBy 1.0 . 3.55 288 288 A 13 GLU H A 11 THR HB 1.0 . 3.84 289 289 A 24 GLY H A 23 LEU HBx 1.0 . 3.92 290 290 A 126 TYR HBx A 125 TYR H 1.0 . 5.65 291 291 A 6 ILE H A 6 ILE HB 1.0 . 4.48 292 292 A 104 ALA HB% A 101 PHE H 1.0 . 5.24 293 293 A 94 GLN HA A 97 LEU H 1.0 . 5.47 294 294 A 29 GLU H A 29 GLU HA 1.0 . 3.48 295 295 A 128 GLY HAx A 129 SER H 1.0 . 4.30 296 296 A 111 ILE H A 109 ARG HA 1.0 . 5.30 297 297 A 126 TYR H A 84 PHE H 1.0 . 6.03 298 298 A 114 ILE H A 115 ARG HGx 1.0 . 5.29 299 299 A 85 ILE H A 125 TYR HD% 1.0 . 5.90 300 300 A 7 VAL H A 7 VAL HA 1.0 . 4.46 301 301 A 44 LYS H A 43 MET HA 1.0 . 4.48 302 302 A 43 MET H A 44 LYS HBx 1.0 . 4.92 303 303 A 105 ILE H A 102 ALA HA 1.0 . 4.39 304 304 A 129 SER H A 129 SER HBx 1.0 . 4.18 305 305 A 55 GLN H A 54 LYS HG3 1.0 . 4.75 306 306 A 62 GLU H A 58 ARG HA 1.0 . 4.88 307 307 A 65 ASP H A 64 LEU HG 1.0 . 4.54 308 308 A 12 ASP H A 11 THR HB 1.0 . 3.59 309 309 A 75 ARG H A 75 ARG HA 1.0 . 3.41 310 310 A 111 ILE H A 18 ILE HD1% 1.0 . 4.94 311 311 A 38 MET HA A 40 ASP H 1.0 . 5.67 312 312 A 117 GLU H A 124 PHE HBx 1.0 . 5.04 313 313 A 36 SER H A 35 VAL HB 1.0 . 4.07 314 314 A 44 LYS H A 43 MET HG3 1.0 . 4.63 315 315 A 124 PHE HA A 117 GLU H 1.0 . 5.74 316 316 A 15 PHE H A 13 GLU HG3 1.0 . 6.01 317 317 A 39 ASP HBx A 7 VAL H 1.0 . 4.71 318 318 A 122 LEU H A 122 LEU HBy 1.0 . 3.48 319 319 A 36 SER H A 36 SER HA 1.0 . 3.62 320 320 A 51 LYS H A 51 LYS HGy 1.0 . 4.15 321 321 A 89 ILE H A 92 MET HGx 1.0 . 6.06 322 322 A 36 SER H A 34 ILE HA 1.0 . 5.41 323 323 A 60 ASP HA A 60 ASP H 1.0 . 3.76 324 324 A 55 GLN H A 55 GLN HA 1.0 . 3.86 325 325 A 36 SER H A 36 SER HBx 1.0 . 3.41 326 326 A 89 ILE HD1% A 37 LYS H 1.0 . 6.02 327 327 A 17 THR H A 111 ILE HG2% 1.0 . 5.36 328 328 A 111 ILE H A 110 HIS HB3 1.0 . 3.87 329 329 A 53 ASN H A 52 THR HA 1.0 . 4.51 330 330 A 38 MET H A 93 LEU HD2% 1.0 . 4.58 331 331 A 96 ARG HGx A 98 ARG H 1.0 . 5.45 332 332 A 100 SER H A 97 LEU HD11 1.0 . 5.31 333 333 A 64 LEU H A 66 ASN HBy 1.0 . 6.15 334 334 A 42 LEU HBx A 43 MET H 1.0 . 4.30 335 335 A 64 LEU H A 65 ASP HBy 1.0 . 5.29 336 336 A 69 GLU HA A 70 LEU H 1.0 . 4.67 337 337 A 119 CYS H A 117 GLU HGx 1.0 . 6.27 338 338 A 112 ARG H A 109 ARG HBy 1.0 . 4.80 339 339 A 28 LEU H A 28 LEU HA 1.0 . 3.96 340 340 A 63 VAL H A 62 GLU HBy 1.0 . 3.82 341 341 A 107 CYS H A 106 PRO HBy 1.0 . 3.88 342 342 A 111 ILE HG2% A 110 HIS H 1.0 . 4.91 343 343 A 85 ILE H A 85 ILE HG1x 1.0 . 4.21 344 344 A 54 LYS H A 54 LYS HA 1.0 . 4.53 345 345 A 74 ALA H A 73 LYS HGx 1.0 . 5.13 346 346 A 7 VAL H A 6 ILE HA 1.0 . 4.47 347 347 A 88 ASP H A 85 ILE HA 1.0 . 5.95 348 348 A 98 ARG H A 97 LEU HG 1.0 . 4.30 349 349 A 62 GLU H A 60 ASP HBy 1.0 . 5.83 350 350 A 60 ASP HA A 59 SER H 1.0 . 6.31 351 351 A 96 ARG H A 95 ASP HA 1.0 . 4.73 352 352 A 62 GLU H A 62 GLU HG3 1.0 . 3.69 353 353 A 61 ARG H A 61 ARG HDx 1.0 . 4.80 354 354 A 35 VAL H A 36 SER HA 1.0 . 4.92 355 355 A 95 ASP H A 97 LEU HBy 1.0 . 6.24 356 356 A 48 ILE H A 49 LEU HA 1.0 . 5.28 357 357 A 21 TYR HA A 21 TYR H 1.0 . 4.38 358 358 A 16 LYS H A 16 LYS HE3 1.0 . 5.13 359 359 A 92 MET H A 90 ARG HA 1.0 . 4.91 360 360 A 109 ARG HA A 110 HIS H 1.0 . 4.44 361 361 A 10 ILE HG2% A 9 GLN H 1.0 . 4.99 362 362 A 44 LYS H A 43 MET HBy 1.0 . 4.46 363 363 A 39 ASP H A 40 ASP HBx 1.0 . 4.75 364 364 A 109 ARG H A 109 ARG HGy 1.0 . 4.36 365 365 A 24 GLY H A 23 LEU HA 1.0 . 4.12 366 366 A 69 GLU H A 67 TRP HA 1.0 . 4.82 367 367 A 14 GLU H A 14 GLU HA 1.0 . 3.88 368 368 A 87 THR H A 88 ASP HBx 1.0 . 5.79 369 369 A 48 ILE H A 48 ILE HB 1.0 . 3.76 370 370 A 96 ARG H A 97 LEU HBy 1.0 . 5.47 371 371 A 94 GLN H A 94 GLN HGy 1.0 . 4.09 372 372 A 46 SER H A 82 LEU HD11 1.0 . 4.27 373 373 A 109 ARG H A 107 CYS HBy 1.0 . 5.89 374 374 A 74 ALA H A 74 ALA HA 1.0 . 3.62 375 375 A 50 GLY H A 49 LEU HA 1.0 . 4.47 376 376 A 94 GLN H A 93 LEU HBy 1.0 . 4.35 377 377 A 60 ASP H A 60 ASP HBy 1.0 . 4.04 378 378 A 34 ILE H A 31 MET HA 1.0 . 4.13 379 379 A 28 LEU H A 29 GLU HA 1.0 . 5.69 380 380 A 18 ILE H A 17 THR HA 1.0 . 4.42 381 381 A 120 GLY H A 120 GLY HAy 1.0 . 5.25 382 382 A 54 LYS HBy A 54 LYS H 1.0 . 4.57 383 383 A 15 PHE H A 12 ASP HA 1.0 . 4.24 384 384 A 101 PHE HA A 101 PHE H 1.0 . 3.86 385 385 A 65 ASP H A 64 LEU HBx 1.0 . 4.04 386 386 A 34 ILE H A 34 ILE HG2% 1.0 . 4.19 387 387 A 52 THR H A 52 THR HG2% 1.0 . 3.55 388 388 A 34 ILE H A 33 GLU HGy 1.0 . 4.69 389 389 A 124 PHE H A 123 THR HB 1.0 . 5.07 390 390 A 43 MET H A 44 LYS HA 1.0 . 5.00 391 391 A 130 SER H A 129 SER HBx 1.0 . 5.61 392 392 A 51 LYS H A 51 LYS HDx 1.0 . 4.77 393 393 A 83 PHE H A 82 LEU HG 1.0 . 5.26 394 394 A 10 ILE H A 32 ASN HA 1.0 . 5.47 395 395 A 96 ARG H A 94 GLN HGy 1.0 . 5.25 396 396 A 124 PHE HD% A 123 THR H 1.0 . 6.13 397 397 A 72 MET H A 72 MET HGy 1.0 . 3.58 398 398 A 60 ASP H A 58 ARG HA 1.0 . 4.91 399 399 A 75 ARG H A 76 LYS H 1.0 . 4.74 400 400 A 107 CYS H A 107 CYS HBy 1.0 . 4.08 401 401 A 66 ASN H A 65 ASP HA 1.0 . 4.16 402 402 A 96 ARG H A 95 ASP HBx 1.0 . 4.16 403 403 A 47 LYS HBx A 47 LYS H 1.0 . 3.72 404 404 A 88 ASP H A 88 ASP HBy 1.0 . 3.82 405 405 A 93 LEU H A 37 LYS HG3 1.0 . 4.94 406 406 A 10 ILE H A 9 GLN HA 1.0 . 3.48 407 407 A 124 PHE H A 124 PHE HBy 1.0 . 4.08 408 408 A 41 PHE H A 42 LEU HD2% 1.0 . 5.37 409 409 A 61 ARG H A 59 SER HA 1.0 . 5.12 410 410 A 20 LYS H A 20 LYS HGx 1.0 . 4.27 411 411 A 75 ARG H A 74 ALA HA 1.0 . 4.27 412 412 A 48 ILE H A 49 LEU HG 1.0 . 3.71 413 413 A 69 GLU H A 68 ARG HDy 1.0 . 5.31 414 414 A 12 ASP H A 12 ASP HA 1.0 . 3.80 415 415 A 23 LEU H A 23 LEU HBx 1.0 . 3.50 416 416 A 4 ILE H A 3 ASP HBx 1.0 . 4.68 417 417 A 129 SER H A 128 GLY HAy 1.0 . 4.41 418 418 A 83 PHE H A 42 LEU HD1% 1.0 . 4.63 419 419 A 123 THR H A 124 PHE HE% 1.0 . 5.89 420 420 A 64 LEU H A 62 GLU HBy 1.0 . 5.46 421 421 A 128 GLY H A 128 GLY HAy 1.0 . 3.76 422 422 A 95 ASP H A 96 ARG HGx 1.0 . 5.64 423 423 A 100 SER H A 100 SER HBy 1.0 . 3.73 424 424 A 118 ARG H A 78 LEU HD2% 1.0 . 6.20 425 425 A 15 PHE H A 15 PHE HBx 1.0 . 3.84 426 426 A 47 LYS HGx A 47 LYS H 1.0 . 4.49 427 427 A 43 MET H A 42 LEU HD1% 1.0 . 4.63 428 428 A 5 ARG HDx A 5 ARG H 1.0 . 5.00 429 429 A 41 PHE H A 40 ASP HA 1.0 . 4.18 430 430 A 97 LEU H A 94 GLN HBy 1.0 . 4.96 431 431 A 63 VAL H A 61 ARG HBy 1.0 . 5.17 432 432 A 77 ARG H A 76 LYS HA 1.0 . 4.18 433 433 A 89 ILE H A 88 ASP HBx 1.0 . 4.81 434 434 A 101 PHE H A 97 LEU HG 1.0 . 5.84 435 435 A 50 GLY H A 47 LYS HA 1.0 . 4.28 436 436 A 90 ARG H A 90 ARG HA 1.0 . 3.71 437 437 A 47 LYS H A 43 MET HA 1.0 . 4.83 438 438 A 114 ILE H A 115 ARG HGy 1.0 . 6.13 439 439 A 27 THR H A 26 LEU HBx 1.0 . 4.83 440 440 A 129 SER H A 129 SER HBy 1.0 . 4.36 441 441 A 118 ARG HBx A 119 CYS H 1.0 . 4.63 442 442 A 31 MET H A 27 THR HB 1.0 . 5.26 443 443 A 28 LEU H A 27 THR HA 1.0 . 3.44 444 444 A 24 GLY H A 23 LEU HBy 1.0 . 4.05 445 445 A 105 ILE H A 105 ILE HD1% 1.0 . 4.17 446 446 A 126 TYR H A 83 PHE HA 1.0 . 5.94 447 447 A 85 ILE HA A 86 GLU H 1.0 . 4.03 448 448 A 87 THR H A 87 THR HB 1.0 . 4.58 449 449 A 86 GLU H A 85 ILE HG1y 1.0 . 5.38 450 450 A 26 LEU H A 23 LEU HA 1.0 . 4.77 451 451 A 64 LEU H A 63 VAL HG1% 1.0 . 4.03 452 452 A 38 MET H A 35 VAL HA 1.0 . 4.31 453 453 A 31 MET H A 28 LEU HA 1.0 . 4.42 454 454 A 9 GLN H A 9 GLN HGx 1.0 . 3.79 455 455 A 97 LEU H A 96 ARG HGy 1.0 . 4.48 456 456 A 94 GLN H A 97 LEU HD11 1.0 . 4.20 457 457 A 28 LEU HA A 30 MET H 1.0 . 5.37 458 458 A 24 GLY HAx A 25 ARG H 1.0 . 5.85 459 459 A 46 SER HA A 46 SER H 1.0 . 3.68 460 460 A 32 ASN H A 32 ASN HBx 1.0 . 3.71 461 461 A 97 LEU H A 96 ARG HBx 1.0 . 4.40 462 462 A 51 LYS HB3 A 52 THR H 1.0 . 4.21 463 463 A 35 VAL H A 34 ILE HG2% 1.0 . 4.04 464 464 A 33 GLU H A 33 GLU HA 1.0 . 3.56 465 465 A 49 LEU H A 49 LEU HG 1.0 . 3.81 466 466 A 59 SER H A 58 ARG HGx 1.0 . 5.34 467 467 A 68 ARG H A 67 TRP H 1.0 . 4.85 468 468 A 102 ALA HB% A 100 SER H 1.0 . 5.46 469 469 A 88 ASP H A 89 ILE HB 1.0 . 4.70 470 470 A 27 THR H A 27 THR HB 1.0 . 4.84 471 471 A 37 LYS HB3 A 37 LYS H 1.0 . 3.94 472 472 A 39 ASP HBy A 7 VAL H 1.0 . 5.17 473 473 A 118 ARG H A 118 ARG HBy 1.0 . 3.62 474 474 A 41 PHE H A 41 PHE HD% 1.0 . 4.36 475 475 A 31 MET H A 29 GLU HA 1.0 . 4.58 476 476 A 23 LEU HD11 A 26 LEU H 1.0 . 4.74 477 477 A 114 ILE H A 115 ARG HA 1.0 . 4.62 478 478 A 74 ALA H A 78 LEU HD2% 1.0 . 5.68 479 479 A 70 LEU H A 67 TRP HA 1.0 . 4.68 480 480 A 28 LEU H A 28 LEU HG 1.0 . 4.46 481 481 A 114 ILE H A 113 ARG HGx 1.0 . 4.40 482 482 A 31 MET H A 34 ILE HD1% 1.0 . 4.88 483 483 A 23 LEU HD11 A 23 LEU H 1.0 . 4.19 484 484 A 34 ILE H A 32 ASN HA 1.0 . 5.33 485 485 A 104 ALA H A 103 LYS HBy 1.0 . 3.54 486 486 A 33 GLU H A 32 ASN HBx 1.0 . 4.48 487 487 A 55 GLN H A 56 LEU HB3 1.0 . 4.39 488 488 A 24 GLY H A 22 GLN HA 1.0 . 4.90 489 489 A 119 CYS H A 119 CYS HA 1.0 . 3.94 490 490 A 14 GLU H A 13 GLU HA 1.0 . 4.17 491 491 A 49 LEU H A 48 ILE HD1% 1.0 . 4.31 492 492 A 16 LYS H A 16 LYS HGy 1.0 . 4.18 493 493 A 26 LEU H A 23 LEU HBx 1.0 . 4.70 494 494 A 5 ARG H A 5 ARG HGx 1.0 . 3.71 495 495 A 36 SER H A 35 VAL HA 1.0 . 4.55 496 496 A 14 GLU H A 13 GLU HG3 1.0 . 4.76 497 497 A 64 LEU H A 64 LEU HD1% 1.0 . 3.88 498 498 A 38 MET H A 37 LYS HD3 1.0 . 4.92 499 499 A 24 GLY H A 23 LEU HG 1.0 . 4.54 500 500 A 32 ASN H A 34 ILE HD1% 1.0 . 5.13 501 501 A 49 LEU H A 48 ILE HA 1.0 . 4.96 502 502 A 109 ARG H A 109 ARG HDx 1.0 . 5.10 503 503 A 60 ASP H A 56 LEU HA 1.0 . 5.33 504 504 A 35 VAL HA A 39 ASP H 1.0 . 4.74 505 505 A 125 TYR H A 125 TYR HE% 1.0 . 4.94 506 506 A 6 ILE H A 5 ARG HGx 1.0 . 4.67 507 507 A 124 PHE HD% A 124 PHE H 1.0 . 3.98 508 508 A 72 MET HBx A 73 LYS H 1.0 . 5.04 509 509 A 102 ALA H A 101 PHE H 1.0 . 3.96 510 510 A 102 ALA HB% A 102 ALA H 1.0 . 3.00 511 511 A 54 LYS H A 53 ASN HBy 1.0 . 5.50 512 512 A 28 LEU H A 28 LEU HB3 1.0 . 3.59 513 513 A 89 ILE H A 90 ARG HA 1.0 . 4.68 514 514 A 45 LYS H A 44 LYS H 1.0 . 3.71 515 515 A 96 ARG H A 94 GLN HBx 1.0 . 4.96 516 516 A 115 ARG H A 115 ARG HA 1.0 . 4.30 517 517 A 28 LEU HA A 29 GLU H 1.0 . 4.37 518 518 A 94 GLN HA A 95 ASP H 1.0 . 3.43 519 519 A 105 ILE HA A 109 ARG H 1.0 . 4.90 520 520 A 124 PHE HD% A 119 CYS H 1.0 . 5.06 521 521 A 64 LEU H A 63 VAL HA 1.0 . 4.32 522 522 A 125 TYR HBx A 125 TYR H 1.0 . 4.03 523 523 A 112 ARG H A 112 ARG HDy 1.0 . 5.04 524 524 A 73 LYS H A 71 GLU HA 1.0 . 4.67 525 525 A 34 ILE H A 34 ILE HB 1.0 . 3.31 526 526 A 85 ILE H A 84 PHE HBy 1.0 . 4.44 527 527 A 4 ILE H A 4 ILE HG1x 1.0 . 3.78 528 528 A 71 GLU H A 70 LEU HD1% 1.0 . 5.40 529 529 A 12 ASP H A 13 GLU HG3 1.0 . 5.68 530 530 A 71 GLU H A 70 LEU HBx 1.0 . 4.91 531 531 A 129 SER H A 115 ARG HBx 1.0 . 6.81 532 532 A 103 LYS H A 103 LYS HDx 1.0 . 4.50 533 533 A 66 ASN H A 63 VAL HA 1.0 . 3.77 534 534 A 6 ILE H A 7 VAL HA 1.0 . 5.63 535 535 A 119 CYS H A 122 LEU HBy 1.0 . 4.23 536 536 A 65 ASP H A 65 ASP HBx 1.0 . 3.68 537 537 A 37 LYS H A 89 ILE HG2% 1.0 . 5.11 538 538 A 82 LEU HB3 A 82 LEU H 1.0 . 4.11 539 539 A 60 ASP H A 61 ARG HBx 1.0 . 5.35 540 540 A 82 LEU H A 82 LEU HD11 1.0 . 4.69 541 541 A 89 ILE HA A 90 ARG H 1.0 . 4.64 542 542 A 112 ARG H A 110 HIS HB3 1.0 . 5.26 543 543 A 46 SER H A 43 MET HG3 1.0 . 5.89 544 544 A 30 MET HGy A 30 MET H 1.0 . 4.01 545 545 A 47 LYS H A 46 SER HBx 1.0 . 3.94 546 546 A 46 SER H A 49 LEU HG 1.0 . 5.11 547 547 A 82 LEU HD2% A 81 THR H 1.0 . 5.51 548 548 A 82 LEU H A 80 THR HA 1.0 . 4.42 549 549 A 71 GLU H A 68 ARG HA 1.0 . 5.51 550 550 A 119 CYS H A 118 ARG HD3 1.0 . 4.86 551 551 A 23 LEU H A 23 LEU HG 1.0 . 3.61 552 552 A 122 LEU H A 122 LEU HBx 1.0 . 3.84 553 553 A 116 GLU H A 109 ARG HBy 1.0 . 5.92 554 554 A 116 GLU H A 116 GLU HBy 1.0 . 4.34 555 555 A 86 GLU H A 86 GLU HBy 1.0 . 3.67 556 556 A 124 PHE H A 78 LEU HD1% 1.0 . 6.37 557 557 A 66 ASN H A 65 ASP HBx 1.0 . 4.00 558 558 A 22 GLN H A 22 GLN HB3 1.0 . 3.58 559 559 A 109 ARG HA A 109 ARG H 1.0 . 3.82 560 560 A 47 LYS HBx A 46 SER H 1.0 . 5.36 561 561 A 102 ALA H A 103 LYS HBy 1.0 . 5.01 562 562 A 92 MET H A 92 MET HBy 1.0 . 3.91 563 563 A 129 SER HA A 129 SER H 1.0 . 4.36 564 564 A 64 LEU H A 63 VAL HB 1.0 . 3.49 565 565 A 4 ILE H A 3 ASP H 1.0 . 4.66 566 566 A 30 MET H A 28 LEU HB3 1.0 . 5.37 567 567 A 81 THR H A 81 THR HG2% 1.0 . 3.80 568 568 A 57 THR H A 58 ARG H 1.0 . 6.02 569 569 A 84 PHE H A 125 TYR HBy 1.0 . 5.30 570 570 A 27 THR H A 27 THR HG2% 1.0 . 3.54 571 571 A 59 SER H A 57 THR HG2% 1.0 . 5.03 572 572 A 56 LEU HB3 A 54 LYS H 1.0 . 6.08 573 573 A 122 LEU H A 119 CYS HBy 1.0 . 5.08 574 574 A 87 THR H A 85 ILE HG1y 1.0 . 4.14 575 575 A 22 GLN H A 21 TYR HBy 1.0 . 5.06 576 576 A 63 VAL HG2% A 65 ASP H 1.0 . 5.18 577 577 A 97 LEU H A 94 GLN HGx 1.0 . 5.08 578 578 A 6 ILE H A 5 ARG HA 1.0 . 3.88 579 579 A 59 SER H A 59 SER HBy 1.0 . 3.93 580 580 A 86 GLU HGx A 86 GLU H 1.0 . 5.41 581 581 A 59 SER H A 60 ASP HBy 1.0 . 5.85 582 582 A 71 GLU H A 70 LEU HG 1.0 . 5.31 583 583 A 124 PHE H A 122 LEU HBy 1.0 . 5.32 584 584 A 64 LEU H A 62 GLU HA 1.0 . 5.09 585 585 A 125 TYR H A 84 PHE HBx 1.0 . 6.32 586 586 A 53 ASN H A 53 ASN HA 1.0 . 5.18 587 587 A 62 GLU H A 59 SER HA 1.0 . 4.01 588 588 A 46 SER H A 43 MET HA 1.0 . 4.28 589 589 A 77 ARG H A 77 ARG HGy 1.0 . 4.96 590 590 A 34 ILE H A 33 GLU HA 1.0 . 4.33 591 591 A 10 ILE H A 10 ILE HG1y 1.0 . 4.28 592 592 A 29 GLU H A 30 MET HBy 1.0 . 5.65 593 593 A 59 SER H A 58 ARG HA 1.0 . 4.61 594 594 A 12 ASP H A 15 PHE HBx 1.0 . 6.29 595 595 A 74 ALA H A 78 LEU HD1% 1.0 . 5.71 596 596 A 39 ASP H A 39 ASP HA 1.0 . 3.96 597 597 A 109 ARG HBy A 110 HIS H 1.0 . 4.28 598 598 A 17 THR H A 18 ILE HA 1.0 . 5.76 599 599 A 31 MET H A 31 MET HGx 1.0 . 4.44 600 600 A 71 GLU H A 69 GLU HA 1.0 . 4.62 601 601 A 26 LEU H A 26 LEU HA 1.0 . 3.49 602 602 A 93 LEU H A 94 GLN H 1.0 . 4.97 603 603 A 42 LEU H A 38 MET HA 1.0 . 5.45 604 604 A 67 TRP H A 66 ASN HBy 1.0 . 4.04 605 605 A 89 ILE HA A 89 ILE H 1.0 . 4.47 606 606 A 33 GLU HGx A 33 GLU H 1.0 . 3.55 607 607 A 60 ASP H A 63 VAL HG1% 1.0 . 5.58 608 608 A 23 LEU H A 22 GLN HGy 1.0 . 4.18 609 609 A 35 VAL H A 34 ILE HG1x 1.0 . 5.19 610 610 A 50 GLY H A 48 ILE HB 1.0 . 5.09 611 611 A 18 ILE H A 16 LYS HA 1.0 . 4.40 612 612 A 61 ARG H A 61 ARG HDy 1.0 . 5.01 613 613 A 83 PHE H A 82 LEU HD2% 1.0 . 4.65 614 614 A 75 ARG H A 74 ALA HB% 1.0 . 4.74 615 615 A 122 LEU H A 123 THR H 1.0 . 4.68 616 616 A 7 VAL H A 6 ILE HD1% 1.0 . 4.86 617 617 A 116 GLU H A 115 ARG HBx 1.0 . 4.95 618 618 A 15 PHE H A 15 PHE HBy 1.0 . 3.76 619 619 A 126 TYR H A 126 TYR HD% 1.0 . 4.02 620 620 A 123 THR H A 122 LEU HG 1.0 . 4.73 621 621 A 116 GLU H A 115 ARG HGy 1.0 . 4.98 622 622 A 83 PHE HD% A 82 LEU H 1.0 . 5.29 623 623 A 13 GLU H A 14 GLU HGy 1.0 . 5.01 624 624 A 84 PHE H A 124 PHE HBx 1.0 . 5.52 625 625 A 94 GLN H A 95 ASP H 1.0 . 5.60 626 626 A 85 ILE H A 85 ILE HG1y 1.0 . 4.19 627 627 A 103 LYS H A 103 LYS HBy 1.0 . 3.55 628 628 A 53 ASN H A 52 THR HG2% 1.0 . 5.27 629 629 A 68 ARG H A 68 ARG HA 1.0 . 5.18 630 630 A 20 LYS H A 22 GLN H 1.0 . 5.48 631 631 A 21 TYR H A 21 TYR HE% 1.0 . 4.41 632 632 A 61 ARG H A 60 ASP HA 1.0 . 4.35 633 633 A 125 TYR H A 124 PHE HBx 1.0 . 4.51 634 634 A 62 GLU H A 61 ARG HDx 1.0 . 5.44 635 635 A 31 MET H A 30 MET HGy 1.0 . 4.92 636 636 A 85 ILE H A 88 ASP HBx 1.0 . 4.91 637 637 A 58 ARG H A 58 ARG HBy 1.0 . 4.26 638 638 A 7 VAL H A 7 VAL HB 1.0 . 4.13 639 639 A 49 LEU H A 49 LEU HA 1.0 . 3.88 640 640 A 113 ARG H A 113 ARG HA 1.0 . 4.26 641 641 A 74 ALA H A 74 ALA HB% 1.0 . 3.54 642 642 A 20 LYS H A 23 LEU HG 1.0 . 6.31 643 643 A 123 THR HB A 86 GLU H 1.0 . 6.61 644 644 A 34 ILE HD1% A 100 SER H 1.0 . 5.09 645 645 A 126 TYR H A 114 ILE HD1% 1.0 . 4.07 646 646 A 125 TYR H A 124 PHE HBy 1.0 . 3.81 647 647 A 42 LEU H A 43 MET HBy 1.0 . 4.91 648 648 A 62 GLU H A 62 GLU HBy 1.0 . 3.58 649 649 A 65 ASP H A 66 ASN HBx 1.0 . 4.98 650 650 A 95 ASP H A 94 GLN HGy 1.0 . 5.69 651 651 A 40 ASP H A 40 ASP HA 1.0 . 3.32 652 652 A 16 LYS H A 16 LYS HBy 1.0 . 3.67 653 653 A 12 ASP HB3 A 16 LYS H 1.0 . 5.66 654 654 A 63 VAL HG1% A 63 VAL H 1.0 . 3.58 655 655 A 13 GLU H A 11 THR HG2% 1.0 . 4.36 656 656 A 36 SER H A 32 ASN HA 1.0 . 4.45 657 657 A 123 THR H A 124 PHE H 1.0 . 5.70 658 658 A 126 TYR H A 126 TYR HBx 1.0 . 4.98 659 659 A 13 GLU H A 12 ASP HA 1.0 . 4.20 660 660 A 62 GLU H A 62 GLU HBx 1.0 . 3.48 661 661 A 68 ARG H A 67 TRP HBx 1.0 . 5.92 662 662 A 76 LYS H A 76 LYS HDx 1.0 . 5.75 663 663 A 31 MET H A 31 MET HA 1.0 . 3.74 664 664 A 66 ASN H A 64 LEU HBx 1.0 . 5.21 665 665 A 69 GLU H A 70 LEU HG 1.0 . 3.49 666 666 A 52 THR H A 51 LYS HA 1.0 . 3.14 667 667 A 48 ILE H A 47 LYS HBy 1.0 . 4.31 668 668 A 114 ILE HD1% A 116 GLU H 1.0 . 5.04 669 669 A 89 ILE H A 89 ILE HG2% 1.0 . 4.62 670 670 A 24 GLY H A 24 GLY HAy 1.0 . 3.61 671 671 A 29 GLU H A 29 GLU HBy 1.0 . 3.43 672 672 A 6 ILE H A 6 ILE HA 1.0 . 4.50 673 673 A 104 ALA H A 103 LYS HBx 1.0 . 3.64 674 674 A 126 TYR HD% A 124 PHE H 1.0 . 5.97 675 675 A 96 ARG HA A 98 ARG H 1.0 . 5.02 676 676 A 27 THR H A 27 THR HA 1.0 . 4.05 677 677 A 104 ALA H A 101 PHE H 1.0 . 5.56 678 678 A 102 ALA H A 103 LYS HA 1.0 . 5.47 679 679 A 125 TYR H A 125 TYR HA 1.0 . 4.42 680 680 A 56 LEU H A 55 GLN HA 1.0 . 4.25 681 681 A 43 MET H A 42 LEU HBy 1.0 . 4.89 682 682 A 80 THR HB A 81 THR H 1.0 . 4.54 683 683 A 17 THR H A 17 THR HG2% 1.0 . 3.32 684 684 A 71 GLU H A 69 GLU H 1.0 . 6.43 685 685 A 21 TYR H A 20 LYS HBx 1.0 . 4.82 686 686 A 80 THR H A 78 LEU HD1% 1.0 . 5.48 687 687 A 46 SER H A 46 SER HBy 1.0 . 3.65 688 688 A 24 GLY H A 20 LYS HBx 1.0 . 5.23 689 689 A 33 GLU H A 30 MET HA 1.0 . 4.05 690 690 A 117 GLU H A 125 TYR HD% 1.0 . 4.85 691 691 A 70 LEU H A 70 LEU HG 1.0 . 3.31 692 692 A 73 LYS H A 72 MET HGx 1.0 . 3.74 693 693 A 30 MET H A 29 GLU HGy 1.0 . 5.10 694 694 A 26 LEU HD2% A 101 PHE H 1.0 . 5.31 695 695 A 88 ASP H A 87 THR HB 1.0 . 5.30 696 696 A 77 ARG H A 77 ARG HGx 1.0 . 4.23 697 697 A 73 LYS H A 74 ALA H 1.0 . 3.50 698 698 A 110 HIS H A 107 CYS HA 1.0 . 4.20 699 699 A 113 ARG H A 114 ILE HG1y 1.0 . 5.74 700 700 A 61 ARG H A 62 GLU HG3 1.0 . 5.23 701 701 A 60 ASP H A 61 ARG HBy 1.0 . 4.65 702 702 A 56 LEU H A 51 LYS HGx 1.0 . 5.43 703 703 A 101 PHE H A 100 SER H 1.0 . 3.66 704 704 A 74 ALA H A 73 LYS HGy 1.0 . 4.95 705 705 A 42 LEU H A 41 PHE HBy 1.0 . 4.55 706 706 A 43 MET H A 40 ASP HA 1.0 . 4.26 707 707 A 9 GLN H A 9 GLN HBy 1.0 . 4.75 708 708 A 77 ARG H A 77 ARG HA 1.0 . 4.55 709 709 A 61 ARG H A 61 ARG HBy 1.0 . 3.50 710 710 A 64 LEU H A 64 LEU HBy 1.0 . 3.80 711 711 A 58 ARG H A 59 SER HBy 1.0 . 6.16 712 712 A 51 LYS HB3 A 56 LEU H 1.0 . 3.80 713 713 A 37 LYS HB3 A 38 MET H 1.0 . 4.67 714 714 A 51 LYS H A 51 LYS HA 1.0 . 3.78 715 715 A 117 GLU H A 117 GLU HGy 1.0 . 5.06 716 716 A 122 LEU H A 122 LEU HA 1.0 . 3.50 717 717 A 18 ILE H A 18 ILE HA 1.0 . 4.20 718 718 A 55 GLN H A 52 THR HB 1.0 . 5.21 719 719 A 57 THR H A 57 THR HB 1.0 . 5.06 720 720 A 44 LYS H A 44 LYS HA 1.0 . 3.69 721 721 A 96 ARG H A 96 ARG HBx 1.0 . 3.84 722 722 A 98 ARG H A 97 LEU HA 1.0 . 4.47 723 723 A 3 ASP H A 3 ASP HA 1.0 . 4.32 724 724 A 110 HIS H A 109 ARG HGy 1.0 . 5.21 725 725 A 38 MET H A 37 LYS HG3 1.0 . 5.65 726 726 A 13 GLU H A 15 PHE HBx 1.0 . 6.04 727 727 A 22 GLN H A 20 LYS HA 1.0 . 4.57 728 728 A 96 ARG H A 95 ASP HBy 1.0 . 4.23 729 729 A 59 SER HA A 63 VAL H 1.0 . 4.76 730 730 A 117 GLU H A 124 PHE HBy 1.0 . 4.71 731 731 A 94 GLN H A 94 GLN HGx 1.0 . 4.13 732 732 A 83 PHE HD% A 85 ILE H 1.0 . 5.22 733 733 A 111 ILE H A 110 HIS HA 1.0 . 4.49 734 734 A 43 MET H A 42 LEU HD2% 1.0 . 4.99 735 735 A 43 MET H A 40 ASP H 1.0 . 5.26 736 736 A 81 THR H A 81 THR HB 1.0 . 4.62 737 737 A 62 GLU HA A 63 VAL H 1.0 . 4.09 738 738 A 27 THR HB A 30 MET H 1.0 . 4.57 739 739 A 41 PHE HA A 43 MET H 1.0 . 5.41 740 740 A 63 VAL H A 62 GLU HG3 1.0 . 4.89 741 741 A 23 LEU HD2% A 24 GLY H 1.0 . 4.61 742 742 A 92 MET H A 89 ILE HG2% 1.0 . 5.09 743 743 A 57 THR H A 56 LEU HA 1.0 . 3.41 744 744 A 94 GLN HA A 94 GLN H 1.0 . 3.73 745 745 A 116 GLU H A 126 TYR HE% 1.0 . 5.35 746 746 A 10 ILE H A 10 ILE HB 1.0 . 6.63 747 747 A 61 ARG H A 56 LEU HD2% 1.0 . 4.19 748 748 A 84 PHE H A 84 PHE HBx 1.0 . 5.60 749 749 A 26 LEU H A 26 LEU HG 1.0 . 3.64 750 750 A 55 GLN H A 54 LYS HA 1.0 . 4.20 751 751 A 15 PHE H A 28 LEU HG 1.0 . 4.51 752 752 A 83 PHE H A 83 PHE HA 1.0 . 4.45 753 753 A 98 ARG HA A 98 ARG H 1.0 . 3.94 754 754 A 44 LYS H A 44 LYS HBy 1.0 . 3.65 755 755 A 123 THR H A 122 LEU HA 1.0 . 2.99 756 756 A 52 THR HB A 54 LYS H 1.0 . 5.06 757 757 A 48 ILE H A 44 LYS HA 1.0 . 5.00 758 758 A 105 ILE H A 103 LYS HBy 1.0 . 5.18 759 759 A 14 GLU H A 13 GLU HBx 1.0 . 4.18 760 760 A 6 ILE H A 5 ARG HDy 1.0 . 5.91 761 761 A 12 ASP HB3 A 15 PHE H 1.0 . 5.78 762 762 A 6 ILE HB A 7 VAL H 1.0 . 4.13 763 763 A 113 ARG H A 113 ARG HGy 1.0 . 4.64 764 764 A 34 ILE HA A 37 LYS H 1.0 . 4.54 765 765 A 34 ILE H A 34 ILE HG1x 1.0 . 5.61 766 766 A 44 LYS H A 42 LEU HD2% 1.0 . 5.26 767 767 A 93 LEU HA A 92 MET H 1.0 . 5.15 768 768 A 123 THR HG2% A 117 GLU H 1.0 . 4.17 769 769 A 21 TYR HA A 23 LEU H 1.0 . 4.93 770 770 A 102 ALA H A 102 ALA HA 1.0 . 3.55 771 771 A 15 PHE H A 13 GLU HBy 1.0 . 5.32 772 772 A 6 ILE H A 6 ILE HG1x 1.0 . 4.44 773 773 A 6 ILE H A 6 ILE HG2% 1.0 . 4.42 774 774 A 58 ARG H A 57 THR HA 1.0 . 3.96 775 775 A 93 LEU H A 89 ILE HG2% 1.0 . 5.16 776 776 A 124 PHE HA A 86 GLU H 1.0 . 6.26 777 777 A 5 ARG H A 5 ARG HBy 1.0 . 3.76 778 778 A 116 GLU HBx A 117 GLU H 1.0 . 4.24 779 779 A 80 THR H A 80 THR HG2% 1.0 . 4.21 780 780 A 37 LYS H A 37 LYS HD3 1.0 . 4.04 781 781 A 43 MET H A 42 LEU HA 1.0 . 4.87 782 782 A 73 LYS H A 73 LYS HGy 1.0 . 3.79 783 783 A 89 ILE HD1% A 39 ASP H 1.0 . 5.75 784 784 A 113 ARG H A 109 ARG HA 1.0 . 4.91 785 785 A 76 LYS H A 76 LYS HBy 1.0 . 5.90 786 786 A 84 PHE H A 84 PHE HD% 1.0 . 4.49 787 787 A 39 ASP HBx A 40 ASP H 1.0 . 3.78 788 788 A 6 ILE H A 5 ARG HGy 1.0 . 4.87 789 789 A 49 LEU H A 50 GLY HAx 1.0 . 5.82 790 790 A 42 LEU HBx A 42 LEU H 1.0 . 4.09 791 791 A 66 ASN HBx A 64 LEU H 1.0 . 5.85 792 792 A 83 PHE H A 82 LEU HA 1.0 . 3.60 793 793 A 107 CYS H A 107 CYS HA 1.0 . 3.80 794 794 A 29 GLU H A 28 LEU HB3 1.0 . 3.70 795 795 A 67 TRP H A 63 VAL HA 1.0 . 4.38 796 796 A 42 LEU H A 42 LEU HA 1.0 . 4.25 797 797 A 15 PHE H A 14 GLU HB3 1.0 . 4.28 798 798 A 66 ASN H A 66 ASN HA 1.0 . 3.61 799 799 A 22 GLN H A 23 LEU HBy 1.0 . 4.56 800 800 A 65 ASP H A 65 ASP HA 1.0 . 3.60 801 801 A 47 LYS H A 46 SER HBy 1.0 . 3.90 802 802 A 56 LEU H A 54 LYS HA 1.0 . 4.77 803 803 A 90 ARG H A 87 THR HA 1.0 . 4.21 804 804 A 24 GLY H A 24 GLY HAx 1.0 . 3.36 805 805 A 68 ARG H A 68 ARG HDy 1.0 . 3.49 806 806 A 10 ILE H A 9 GLN HBx 1.0 . 4.24 807 807 A 23 LEU HD2% A 18 ILE H 1.0 . 3.86 808 808 A 104 ALA H A 104 ALA HB% 1.0 . 3.21 809 809 A 116 GLU HA A 117 GLU H 1.0 . 3.25 810 810 A 27 THR HB A 29 GLU H 1.0 . 3.76 811 811 A 17 THR H A 16 LYS HBy 1.0 . 4.64 812 812 A 89 ILE H A 87 THR HA 1.0 . 4.98 813 813 A 32 ASN H A 32 ASN HA 1.0 . 3.90 814 814 A 86 GLU H A 85 ILE HD1% 1.0 . 4.56 815 815 A 68 ARG H A 69 GLU H 1.0 . 3.74 816 816 A 52 THR H A 52 THR HB 1.0 . 4.62 817 817 A 44 LYS H A 44 LYS HBx 1.0 . 3.60 818 818 A 65 ASP H A 64 LEU HD1% 1.0 . 4.64 819 819 A 58 ARG HBx A 59 SER H 1.0 . 4.14 820 820 A 76 LYS H A 76 LYS HDy 1.0 . 5.96 821 821 A 16 LYS HGx A 16 LYS H 1.0 . 3.79 822 822 A 92 MET H A 92 MET HGy 1.0 . 4.05 823 823 A 36 SER HBx A 37 LYS H 1.0 . 4.04 824 824 A 39 ASP HBx A 39 ASP H 1.0 . 3.80 825 825 A 40 ASP H A 40 ASP HBy 1.0 . 3.46 826 826 A 115 ARG H A 115 ARG HBy 1.0 . 4.46 827 827 A 95 ASP H A 94 GLN HBy 1.0 . 4.46 828 828 A 29 GLU H A 30 MET HA 1.0 . 5.22 829 829 A 41 PHE H A 41 PHE HBx 1.0 . 3.94 830 830 A 37 LYS H A 93 LEU HD2% 1.0 . 4.40 831 831 A 93 LEU H A 92 MET HBy 1.0 . 4.77 832 832 A 53 ASN HBx A 54 LYS H 1.0 . 5.26 833 833 A 86 GLU HA A 86 GLU H 1.0 . 4.32 834 834 A 98 ARG H A 97 LEU HBy 1.0 . 4.48 835 835 A 62 GLU H A 63 VAL HA 1.0 . 5.24 836 836 A 14 GLU H A 14 GLU HGx 1.0 . 4.13 837 837 A 50 GLY H A 49 LEU HBx 1.0 . 4.80 838 838 A 109 ARG H A 106 PRO HA 1.0 . 4.28 839 839 A 42 LEU H A 39 ASP HA 1.0 . 4.76 840 840 A 84 PHE H A 83 PHE HBx 1.0 . 4.39 841 841 A 100 SER H A 97 LEU HG 1.0 . 5.14 842 842 A 72 MET HA A 73 LYS H 1.0 . 3.95 843 843 A 112 ARG H A 112 ARG HDx 1.0 . 4.99 844 844 A 93 LEU H A 90 ARG HA 1.0 . 4.56 845 845 A 80 THR H A 78 LEU HD2% 1.0 . 5.33 846 846 A 126 TYR H A 125 TYR HD% 1.0 . 4.42 847 847 A 76 LYS H A 76 LYS HA 1.0 . 4.70 848 848 A 43 MET HBx A 44 LYS H 1.0 . 4.13 849 849 A 5 ARG H A 4 ILE HG1y 1.0 . 5.04 850 850 A 93 LEU H A 92 MET HGx 1.0 . 5.04 851 851 A 24 GLY H A 25 ARG H 1.0 . 5.93 852 852 A 71 GLU HA A 71 GLU H 1.0 . 4.25 853 853 A 21 TYR H A 20 LYS HGx 1.0 . 5.63 854 854 A 51 LYS H A 50 GLY HAx 1.0 . 4.37 855 855 A 47 LYS H A 47 LYS HGy 1.0 . 4.12 856 856 A 54 LYS HBx A 54 LYS H 1.0 . 4.68 857 857 A 27 THR H A 26 LEU HG 1.0 . 4.19 858 858 A 64 LEU H A 65 ASP HBx 1.0 . 5.66 859 859 A 35 VAL H A 34 ILE HB 1.0 . 3.71 860 860 A 123 THR H A 123 THR HB 1.0 . 3.65 861 861 A 41 PHE H A 40 ASP HBy 1.0 . 4.17 862 862 A 13 GLU H A 13 GLU HG3 1.0 . 3.85 863 863 A 96 ARG H A 94 GLN HBy 1.0 . 4.84 864 864 A 58 ARG H A 60 ASP H 1.0 . 5.66 865 865 A 72 MET HA A 71 GLU H 1.0 . 5.63 866 866 A 39 ASP H A 36 SER HA 1.0 . 4.21 867 867 A 116 GLU H A 115 ARG HGx 1.0 . 5.17 868 868 A 73 LYS H A 72 MET HGy 1.0 . 3.88 869 869 A 57 THR H A 56 LEU HG 1.0 . 3.53 870 870 A 26 LEU H A 24 GLY HAy 1.0 . 4.87 871 871 A 23 LEU H A 24 GLY HAy 1.0 . 5.29 872 872 A 87 THR H A 85 ILE HG2% 1.0 . 4.95 873 873 A 28 LEU H A 29 GLU HBy 1.0 . 5.19 874 874 A 69 GLU H A 68 ARG HA 1.0 . 4.63 875 875 A 85 ILE H A 85 ILE HG2% 1.0 . 4.42 876 876 A 89 ILE HA A 92 MET H 1.0 . 4.61 877 877 A 123 THR H A 86 GLU HBy 1.0 . 5.47 878 878 A 72 MET H A 72 MET HBy 1.0 . 3.80 879 879 A 41 PHE H A 42 LEU HBx 1.0 . 5.58 880 880 A 20 LYS H A 23 LEU HD2% 1.0 . 5.82 881 881 A 87 THR H A 85 ILE HA 1.0 . 5.29 882 882 A 85 ILE H A 84 PHE HA 1.0 . 3.84 883 883 A 49 LEU H A 47 LYS HA 1.0 . 5.39 884 884 A 124 PHE H A 119 CYS H 1.0 . 4.91 885 885 A 96 ARG H A 96 ARG HGy 1.0 . 4.33 886 886 A 128 GLY H A 113 ARG HA 1.0 . 4.98 887 887 A 107 CYS H A 104 ALA HA 1.0 . 4.31 888 888 A 58 ARG H A 59 SER H 1.0 . 5.57 889 889 A 107 CYS H A 106 PRO HBx 1.0 . 4.10 890 890 A 90 ARG H A 89 ILE HG2% 1.0 . 4.61 891 891 A 88 ASP H A 88 ASP HBx 1.0 . 4.12 892 892 A 122 LEU H A 119 CYS HBx 1.0 . 5.29 893 893 A 30 MET H A 29 GLU HA 1.0 . 4.48 894 894 A 49 LEU H A 49 LEU HBy 1.0 . 4.24 895 895 A 116 GLU H A 115 ARG HA 1.0 . 3.34 896 896 A 34 ILE H A 36 SER HBx 1.0 . 5.18 897 897 A 32 ASN H A 31 MET HGy 1.0 . 5.27 898 898 A 26 LEU H A 24 GLY HAx 1.0 . 4.97 899 899 A 110 HIS H A 110 HIS HA 1.0 . 3.61 900 900 A 114 ILE H A 109 ARG HBy 1.0 . 5.58 901 901 A 47 LYS H A 47 LYS HA 1.0 . 3.59 902 902 A 40 ASP HBx A 40 ASP H 1.0 . 3.65 903 903 A 29 GLU H A 29 GLU HGy 1.0 . 4.46 904 904 A 101 PHE H A 101 PHE HBx 1.0 . 3.64 905 905 A 117 GLU H A 117 GLU HGx 1.0 . 5.09 906 906 A 67 TRP H A 67 TRP HBy 1.0 . 4.12 907 907 A 89 ILE H A 89 ILE HG1y 1.0 . 4.67 908 908 A 97 LEU H A 96 ARG HGx 1.0 . 4.50 909 909 A 66 ASN HBx A 63 VAL H 1.0 . 5.59 910 910 A 65 ASP H A 66 ASN HA 1.0 . 5.14 911 911 A 23 LEU HD11 A 22 GLN H 1.0 . 5.44 912 912 A 89 ILE H A 88 ASP HBy 1.0 . 4.68 913 913 A 50 GLY H A 46 SER HA 1.0 . 4.85 914 914 A 87 THR HG2% A 86 GLU H 1.0 . 5.46 915 915 A 62 GLU H A 61 ARG HA 1.0 . 4.32 916 916 A 114 ILE H A 114 ILE HG1y 1.0 . 4.54 917 917 A 20 LYS H A 20 LYS HBx 1.0 . 3.83 918 918 A 85 ILE HG1x A 86 GLU H 1.0 . 5.45 919 919 A 14 GLU H A 14 GLU HB3 1.0 . 4.07 920 920 A 105 ILE H A 104 ALA H 1.0 . 3.55 921 921 A 62 GLU H A 59 SER H 1.0 . 5.47 922 922 A 113 ARG H A 113 ARG HGx 1.0 . 4.33 923 923 A 38 MET H A 37 LYS HA 1.0 . 4.61 924 924 A 81 THR H A 82 LEU HA 1.0 . 5.05 925 925 A 104 ALA H A 105 ILE HA 1.0 . 5.29 926 926 A 128 GLY H A 115 ARG HBx 1.0 . 5.54 927 927 A 23 LEU HD11 A 18 ILE H 1.0 . 4.83 928 928 A 4 ILE HB A 5 ARG H 1.0 . 3.76 929 929 A 31 MET H A 32 ASN HBx 1.0 . 5.22 930 930 A 102 ALA HB% A 103 LYS H 1.0 . 3.42 931 931 A 7 VAL H A 7 VAL HG1% 1.0 . 3.83 932 932 A 94 GLN H A 97 LEU HD21 1.0 . 4.88 933 933 A 30 MET HBx A 30 MET H 1.0 . 4.11 934 934 A 111 ILE HB A 112 ARG H 1.0 . 5.15 935 935 A 16 LYS HBx A 15 PHE H 1.0 . 5.24 936 936 A 65 ASP H A 64 LEU HBy 1.0 . 4.06 937 937 A 111 ILE HB A 111 ILE H 1.0 . 4.52 938 938 A 88 ASP H A 41 PHE HD% 1.0 . 5.51 939 939 A 49 LEU H A 49 LEU HD1% 1.0 . 4.40 940 940 A 20 LYS H A 21 TYR H 1.0 . 5.23 941 941 A 15 PHE H A 17 THR HG2% 1.0 . 5.61 942 942 A 39 ASP H A 38 MET HA 1.0 . 4.76 943 943 A 57 THR H A 56 LEU HB3 1.0 . 4.50 944 944 A 38 MET H A 40 ASP HBy 1.0 . 5.57 945 945 A 29 GLU HGx A 30 MET H 1.0 . 4.86 946 946 A 89 ILE H A 84 PHE HD% 1.0 . 5.20 947 947 A 23 LEU HD2% A 22 GLN H 1.0 . 4.50 948 948 A 31 MET H A 35 VAL H 1.0 . 5.54 949 949 A 7 VAL H A 5 ARG HGx 1.0 . 5.03 950 950 A 81 THR H A 80 THR HG2% 1.0 . 4.65 951 951 A 16 LYS HBx A 16 LYS H 1.0 . 3.49 952 952 A 32 ASN H A 33 GLU HGy 1.0 . 5.44 953 953 A 114 ILE H A 109 ARG HA 1.0 . 4.02 954 954 A 72 MET H A 69 GLU HA 1.0 . 4.80 955 955 A 114 ILE H A 112 ARG HA 1.0 . 4.49 956 956 A 30 MET HA A 30 MET H 1.0 . 3.88 957 957 A 31 MET H A 28 LEU HG 1.0 . 5.06 958 958 A 41 PHE H A 41 PHE HBy 1.0 . 3.86 959 959 A 23 LEU H A 23 LEU HBy 1.0 . 3.48 960 960 A 70 LEU H A 69 GLU HGx 1.0 . 3.42 961 961 A 5 ARG H A 5 ARG HGy 1.0 . 3.67 962 962 A 65 ASP H A 66 ASN HBy 1.0 . 5.13 963 963 A 30 MET H A 29 GLU HBy 1.0 . 3.89 964 964 A 17 THR H A 17 THR HA 1.0 . 3.75 965 965 A 16 LYS H A 12 ASP HA 1.0 . 4.71 966 966 A 27 THR H A 30 MET HBx 1.0 . 4.95 967 967 A 5 ARG H A 4 ILE HG2% 1.0 . 3.82 968 968 A 84 PHE H A 84 PHE HA 1.0 . 4.32 969 969 A 31 MET HA A 33 GLU H 1.0 . 4.84 970 970 A 90 ARG H A 93 LEU HD1% 1.0 . 4.93 971 971 A 57 THR H A 57 THR HA 1.0 . 4.09 972 972 A 86 GLU HGy A 86 GLU H 1.0 . 5.31 973 973 A 16 LYS H A 17 THR HA 1.0 . 5.42 974 974 A 12 ASP HB3 A 12 ASP H 1.0 . 3.36 975 975 A 86 GLU H A 125 TYR HE% 1.0 . 4.21 976 976 A 61 ARG H A 60 ASP HBx 1.0 . 4.25 977 977 A 26 LEU H A 25 ARG H 1.0 . 5.72 978 978 A 90 ARG H A 86 GLU HGy 1.0 . 5.13 979 979 A 104 ALA H A 104 ALA HA 1.0 . 3.60 980 980 A 123 THR H A 122 LEU HD2% 1.0 . 3.90 981 981 A 17 THR H A 15 PHE HA 1.0 . 4.65 982 982 A 95 ASP H A 95 ASP HA 1.0 . 4.12 983 983 A 93 LEU H A 93 LEU HA 1.0 . 4.10 984 984 A 32 ASN H A 29 GLU HA 1.0 . 4.13 985 985 A 101 PHE H A 101 PHE HBy 1.0 . 3.60 986 986 A 114 ILE HB A 115 ARG H 1.0 . 3.99 987 987 A 126 TYR H A 125 TYR H 1.0 . 5.44 988 988 A 61 ARG H A 62 GLU HBy 1.0 . 5.18 989 989 A 33 GLU H A 32 ASN HBy 1.0 . 4.64 990 990 A 120 GLY H A 119 CYS HA 1.0 . 3.90 991 991 A 67 TRP H A 67 TRP HD1 1.0 . 4.03 992 992 A 118 ARG H A 118 ARG HD3 1.0 . 4.68 993 993 A 41 PHE HD% A 85 ILE H 1.0 . 5.46 994 994 A 96 ARG H A 94 GLN HGx 1.0 . 5.41 995 995 A 62 GLU H A 61 ARG HBx 1.0 . 4.45 996 996 A 123 THR H A 122 LEU HBy 1.0 . 4.38 997 997 A 27 THR H A 26 LEU H 1.0 . 4.90 998 998 A 118 ARG HA A 124 PHE H 1.0 . 4.27 999 999 A 119 CYS H A 124 PHE HE% 1.0 . 5.09 1000 1000 A 103 LYS H A 103 LYS HDy 1.0 . 3.88 1001 1001 A 18 ILE H A 18 ILE HB 1.0 . 3.45 1002 1002 A 118 ARG H A 117 GLU HGy 1.0 . 4.67 1003 1003 A 9 GLN H A 36 SER HA 1.0 . 6.00 1004 1004 A 114 ILE H A 114 ILE HA 1.0 . 4.13 1005 1005 A 101 PHE H A 100 SER HA 1.0 . 4.34 1006 1006 A 112 ARG H A 110 HIS HA 1.0 . 4.87 1007 1007 A 4 ILE H A 4 ILE HG1y 1.0 . 3.79 1008 1008 A 47 LYS H A 43 MET HG3 1.0 . 5.76 1009 1009 A 62 GLU H A 62 GLU HA 1.0 . 3.56 1010 1010 A 101 PHE HA A 103 LYS H 1.0 . 4.80 1011 1011 A 96 ARG H A 96 ARG HBy 1.0 . 3.88 1012 1012 A 84 PHE H A 42 LEU HD1% 1.0 . 5.59 1013 1013 A 39 ASP HBx A 6 ILE H 1.0 . 6.41 1014 1014 A 10 ILE H A 9 GLN HBy 1.0 . 5.50 1015 1015 A 84 PHE H A 84 PHE HBy 1.0 . 4.91 1016 1016 A 97 LEU H A 96 ARG HBy 1.0 . 4.36 1017 1017 A 96 ARG H A 96 ARG HD3 1.0 . 4.83 1018 1018 A 29 GLU HGx A 29 GLU H 1.0 . 4.32 1019 1019 A 50 GLY H A 51 LYS HA 1.0 . 5.60 1020 1020 A 115 ARG H A 115 ARG HBx 1.0 . 4.84 1021 1021 A 84 PHE H A 126 TYR HBx 1.0 . 5.61 1022 1022 A 107 CYS H A 106 PRO HA 1.0 . 4.57 1023 1023 A 116 GLU H A 117 GLU H 1.0 . 5.02 1024 1024 A 50 GLY H A 51 LYS HB3 1.0 . 5.03 1025 1025 A 12 ASP H A 11 THR HG2% 1.0 . 4.01 1026 1026 A 15 PHE H A 15 PHE HA 1.0 . 3.80 1027 1027 A 13 GLU H A 28 LEU HG 1.0 . 6.23 1028 1028 A 49 LEU H A 46 SER HA 1.0 . 4.71 1029 1029 A 111 ILE HG2% A 18 ILE H 1.0 . 4.76 1030 1030 A 47 LYS H A 46 SER HA 1.0 . 4.48 1031 1031 A 112 ARG H A 112 ARG HA 1.0 . 3.19 1032 1032 A 13 GLU H A 13 GLU HA 1.0 . 3.40 1033 1033 A 64 LEU H A 65 ASP HA 1.0 . 5.67 1034 1034 A 109 ARG H A 109 ARG HGx 1.0 . 3.89 1035 1035 A 52 THR H A 52 THR HA 1.0 . 3.99 1036 1036 A 55 GLN H A 56 LEU HA 1.0 . 5.31 1037 1037 A 113 ARG H A 114 ILE HA 1.0 . 5.73 1038 1038 A 51 LYS H A 47 LYS HA 1.0 . 5.39 1039 1039 A 97 LEU H A 94 GLN HGy 1.0 . 4.65 1040 1040 A 117 GLU HA A 117 GLU H 1.0 . 4.18 1041 1041 A 21 TYR H A 21 TYR HBx 1.0 . 4.46 1042 1042 A 116 GLU HBx A 124 PHE H 1.0 . 5.73 1043 1043 A 25 ARG HA A 25 ARG H 1.0 . 6.14 1044 1044 A 32 ASN H A 32 ASN HBy 1.0 . 3.86 1045 1045 A 42 LEU H A 42 LEU HBy 1.0 . 4.33 1046 1046 A 13 GLU H A 13 GLU HBx 1.0 . 3.61 1047 1047 A 49 LEU HD1% A 46 SER H 1.0 . 4.90 1048 1048 A 52 THR H A 51 LYS HGy 1.0 . 3.87 1049 1049 A 33 GLU H A 33 GLU HGy 1.0 . 3.88 1050 1050 A 103 LYS H A 104 ALA HA 1.0 . 5.17 1051 1051 A 44 LYS H A 42 LEU HA 1.0 . 5.36 1052 1052 A 22 GLN HA A 23 LEU H 1.0 . 4.13 1053 1053 A 114 ILE H A 109 ARG H 1.0 . 5.67 1054 1054 A 29 GLU H A 32 ASN HBx 1.0 . 5.59 1055 1055 A 109 ARG H A 110 HIS HB3 1.0 . 4.78 1056 1056 A 16 LYS HBx A 18 ILE H 1.0 . 5.15 1057 1057 A 60 ASP H A 59 SER HBy 1.0 . 4.24 1058 1058 A 60 ASP H A 57 THR HA 1.0 . 5.18 1059 1059 A 101 PHE H A 93 LEU HD1% 1.0 . 4.47 1060 1060 A 48 ILE H A 49 LEU HBy 1.0 . 5.16 1061 1061 A 31 MET H A 31 MET HGy 1.0 . 4.30 1062 1062 A 21 TYR H A 21 TYR HD% 1.0 . 4.38 1063 1063 A 82 LEU HD2% A 46 SER H 1.0 . 4.10 1064 1064 A 65 ASP H A 62 GLU HA 1.0 . 4.10 1065 1065 A 40 ASP H A 39 ASP HA 1.0 . 4.42 1066 1066 A 81 THR HA A 82 LEU H 1.0 . 4.32 1067 1067 A 14 GLU H A 12 ASP HA 1.0 . 5.20 1068 1068 A 54 LYS H A 52 THR HG2% 1.0 . 5.55 1069 1069 A 62 GLU H A 61 ARG HDy 1.0 . 5.69 1070 1070 A 41 PHE H A 41 PHE HA 1.0 . 3.86 1071 1071 A 115 ARG H A 126 TYR HA 1.0 . 5.46 1072 1072 A 114 ILE H A 113 ARG HGy 1.0 . 4.91 1073 1073 A 44 LYS H A 40 ASP HA 1.0 . 4.80 1074 1074 A 18 ILE H A 15 PHE HA 1.0 . 4.52 1075 1075 A 50 GLY H A 50 GLY HAy 1.0 . 3.68 1076 1076 A 60 ASP HA A 57 THR H 1.0 . 5.09 1077 1077 A 117 GLU H A 126 TYR HE% 1.0 . 4.76 1078 1078 A 111 ILE H A 112 ARG HA 1.0 . 4.50 1079 1079 A 73 LYS H A 73 LYS HBy 1.0 . 3.54 1080 1080 A 92 MET HA A 92 MET H 1.0 . 3.84 1081 1081 A 126 TYR HD% A 117 GLU H 1.0 . 4.93 1082 1082 A 29 GLU HBx A 29 GLU H 1.0 . 3.65 1083 1083 A 27 THR H A 30 MET HA 1.0 . 5.00 1084 1084 A 94 GLN H A 94 GLN HBx 1.0 . 3.63 1085 1085 A 83 PHE H A 81 THR HG2% 1.0 . 4.56 1086 1086 A 104 ALA HB% A 103 LYS H 1.0 . 4.31 1087 1087 A 20 LYS H A 20 LYS HA 1.0 . 4.01 1088 1088 A 25 ARG H A 24 GLY HAy 1.0 . 5.81 1089 1089 A 34 ILE H A 34 ILE HA 1.0 . 3.83 1090 1090 A 58 ARG H A 58 ARG HGy 1.0 . 5.56 1091 1091 A 101 PHE H A 100 SER HBy 1.0 . 4.67 1092 1092 A 23 LEU HD2% A 23 LEU H 1.0 . 3.92 1093 1093 A 20 LYS H A 19 PRO HA 1.0 . 3.35 1094 1094 A 117 GLU H A 78 LEU HD1% 1.0 . 6.36 1095 1095 A 67 TRP H A 67 TRP HBx 1.0 . 4.07 1096 1096 A 88 ASP H A 85 ILE HG1x 1.0 . 4.47 1097 1097 A 16 LYS H A 15 PHE HA 1.0 . 3.91 1098 1098 A 33 GLU H A 32 ASN HA 1.0 . 4.50 1099 1099 A 22 GLN H A 21 TYR HBx 1.0 . 4.83 1100 1100 A 103 LYS H A 26 LEU HD1% 1.0 . 4.58 1101 1101 A 39 ASP HBy A 40 ASP H 1.0 . 3.87 1102 1102 A 15 PHE H A 14 GLU HGy 1.0 . 4.22 1103 1103 A 110 HIS H A 109 ARG HBx 1.0 . 4.09 1104 1104 A 97 LEU H A 95 ASP H 1.0 . 6.50 1105 1105 A 21 TYR H A 22 GLN HGx 1.0 . 5.72 1106 1106 A 4 ILE H A 4 ILE HA 1.0 . 3.65 1107 1107 A 100 SER H A 93 LEU HD1% 1.0 . 5.14 1108 1108 A 126 TYR H A 126 TYR HBy 1.0 . 5.06 1109 1109 A 56 LEU H A 53 ASN HA 1.0 . 4.28 1110 1110 A 68 ARG H A 67 TRP HA 1.0 . 4.16 1111 1111 A 116 GLU H A 125 TYR HD% 1.0 . 5.49 1112 1112 A 28 LEU H A 27 THR HG2% 1.0 . 4.00 1113 1113 A 97 LEU H A 97 LEU HA 1.0 . 3.79 1114 1114 A 128 GLY H A 114 ILE HA 1.0 . 3.92 1115 1115 A 86 GLU HBx A 86 GLU H 1.0 . 4.19 1116 1116 A 101 PHE HA A 100 SER H 1.0 . 5.06 1117 1117 A 17 THR H A 16 LYS HGy 1.0 . 5.44 1118 1118 A 63 VAL HA A 63 VAL H 1.0 . 3.56 1119 1119 A 27 THR H A 26 LEU HA 1.0 . 3.24 1120 1120 A 41 PHE H A 39 ASP HA 1.0 . 5.42 1121 1121 A 123 THR H A 123 THR HA 1.0 . 3.70 1122 1122 A 59 SER HA A 59 SER H 1.0 . 3.98 1123 1123 A 66 ASN H A 64 LEU HA 1.0 . 4.81 1124 1124 A 7 VAL H A 6 ILE HG1y 1.0 . 4.82 1125 1125 A 122 LEU H A 124 PHE HE% 1.0 . 5.24 1126 1126 A 88 ASP HA A 89 ILE H 1.0 . 4.75 1127 1127 A 105 ILE H A 108 LEU HD21 1.0 . 5.10 1128 1128 A 87 THR H A 86 GLU HBy 1.0 . 3.88 1129 1129 A 105 ILE H A 105 ILE HA 1.0 . 3.93 1130 1130 A 100 SER HA A 100 SER H 1.0 . 3.70 1131 1131 A 122 LEU H A 122 LEU HD1% 1.0 . 4.20 1132 1132 A 110 HIS H A 107 CYS HBy 1.0 . 6.11 1133 1133 A 73 LYS H A 72 MET HBy 1.0 . 5.13 1134 1134 A 43 MET H A 43 MET HBy 1.0 . 3.91 1135 1135 A 59 SER HBx A 59 SER H 1.0 . 3.97 1136 1136 A 96 ARG H A 96 ARG HA 1.0 . 3.69 1137 1137 A 68 ARG HDx A 69 GLU H 1.0 . 4.34 1138 1138 A 42 LEU H A 42 LEU HD2% 1.0 . 4.17 1139 1139 A 80 THR H A 80 THR HA 1.0 . 4.56 1140 1140 A 34 ILE H A 93 LEU HD2% 1.0 . 3.87 1141 1141 A 26 LEU HBy A 26 LEU H 1.0 . 3.41 1142 1142 A 51 LYS H A 49 LEU HA 1.0 . 4.78 1143 1143 A 76 LYS H A 74 ALA HB% 1.0 . 5.43 1144 1144 A 92 MET H A 93 LEU HD2% 1.0 . 4.76 1145 1145 A 61 ARG H A 61 ARG HG3 1.0 . 4.10 1146 1146 A 88 ASP HA A 90 ARG H 1.0 . 5.45 1147 1147 A 31 MET H A 31 MET HBy 1.0 . 3.73 1148 1148 A 96 ARG H A 96 ARG HGx 1.0 . 4.08 1149 1149 A 58 ARG H A 59 SER HBx 1.0 . 6.38 1150 1150 A 18 ILE H A 18 ILE HD1% 1.0 . 3.64 1151 1151 A 73 LYS H A 73 LYS HA 1.0 . 3.58 1152 1152 A 105 ILE H A 105 ILE HG21 1.0 . 4.04 1153 1153 A 3 ASP H A 3 ASP HBx 1.0 . 4.11 1154 1154 A 114 ILE H A 113 ARG HA 1.0 . 4.56 1155 1155 A 88 ASP H A 89 ILE HG1y 1.0 . 4.89 1156 1156 A 122 LEU H A 122 LEU HG 1.0 . 3.82 1157 1157 A 82 LEU H A 82 LEU HA 1.0 . 4.08 1158 1158 A 118 ARG HA A 119 CYS H 1.0 . 3.14 1159 1159 A 89 ILE H A 89 ILE HG1x 1.0 . 4.44 1160 1160 A 21 TYR H A 21 TYR HBy 1.0 . 4.60 1161 1161 A 13 GLU H A 13 GLU HBy 1.0 . 3.43 1162 1162 A 81 THR H A 80 THR HA 1.0 . 3.53 1163 1163 A 84 PHE H A 84 PHE HE% 1.0 . 5.55 1164 1164 A 37 LYS H A 37 LYS HA 1.0 . 3.96 1165 1165 A 4 ILE H A 4 ILE HG2% 1.0 . 4.65 1166 1166 A 33 GLU H A 29 GLU HA 1.0 . 4.66 1167 1167 A 67 TRP H A 67 TRP HA 1.0 . 4.69 1168 1168 A 97 LEU H A 95 ASP HBx 1.0 . 5.71 1169 1169 A 13 GLU H A 28 LEU HD21 1.0 . 5.67 1170 1170 A 53 ASN H A 53 ASN HBy 1.0 . 5.47 1171 1171 A 77 ARG H A 76 LYS HBy 1.0 . 4.48 1172 1172 A 70 LEU H A 68 ARG HA 1.0 . 4.29 1173 1173 A 56 LEU H A 56 LEU HA 1.0 . 4.05 1174 1174 A 56 LEU H A 54 LYS HBy 1.0 . 4.85 1175 1175 A 88 ASP H A 87 THR HA 1.0 . 4.66 1176 1176 A 44 LYS H A 44 LYS HDy 1.0 . 4.77 1177 1177 A 105 ILE H A 103 LYS HA 1.0 . 5.05 1178 1178 A 14 GLU H A 14 GLU HGy 1.0 . 3.67 1179 1179 A 63 VAL H A 64 LEU HD1% 1.0 . 4.75 1180 1180 A 10 ILE H A 9 GLN HGx 1.0 . 5.40 1181 1181 A 111 ILE H A 109 ARG HGy 1.0 . 5.18 1182 1182 A 57 THR H A 60 ASP HBy 1.0 . 4.05 1183 1183 A 126 TYR H A 125 TYR HA 1.0 . 3.48 1184 1184 A 69 GLU H A 70 LEU H 1.0 . 4.22 1185 1185 A 56 LEU H A 54 LYS H 1.0 . 5.60 1186 1186 A 66 ASN HBx A 67 TRP H 1.0 . 4.12 1187 1187 A 5 ARG H A 5 ARG HA 1.0 . 3.88 1188 1188 A 7 VAL H A 5 ARG HA 1.0 . 3.88 1189 1189 A 126 TYR H A 114 ILE HB 1.0 . 4.64 1190 1190 A 80 THR H A 79 PRO HA 1.0 . 4.39 1191 1191 A 27 THR H A 31 MET HGy 1.0 . 5.40 1192 1192 A 82 LEU H A 82 LEU HG 1.0 . 3.67 1193 1193 A 14 GLU H A 11 THR HB 1.0 . 4.03 1194 1194 A 14 GLU H A 13 GLU HBy 1.0 . 4.19 1195 1195 A 36 SER H A 34 ILE HG2% 1.0 . 4.72 1196 1196 A 119 CYS H A 119 CYS HBy 1.0 . 4.08 1197 1197 A 59 SER H A 58 ARG HGy 1.0 . 5.41 1198 1198 A 48 ILE H A 48 ILE HA 1.0 . 4.19 1199 1199 A 72 MET H A 72 MET HGx 1.0 . 3.43 1200 1200 A 60 ASP HBx A 60 ASP H 1.0 . 4.14 1201 1201 A 35 VAL H A 34 ILE HD1% 1.0 . 4.21 1202 1202 A 70 LEU H A 70 LEU HBy 1.0 . 3.48 1203 1203 A 32 ASN H A 31 MET HBx 1.0 . 3.94 1204 1204 A 83 PHE H A 84 PHE HA 1.0 . 5.97 1205 1205 A 38 MET H A 89 ILE HD1% 1.0 . 5.11 1206 1206 A 17 THR H A 15 PHE HBx 1.0 . 5.87 1207 1207 A 96 ARG H A 95 ASP H 1.0 . 4.75 1208 1208 A 38 MET H A 34 ILE HG2% 1.0 . 5.42 1209 1209 A 74 ALA H A 71 GLU HA 1.0 . 4.44 1210 1210 A 32 ASN H A 28 LEU HG 1.0 . 4.82 1211 1211 A 101 PHE H A 100 SER HBx 1.0 . 4.71 1212 1212 A 71 GLU H A 70 LEU HD2% 1.0 . 5.62 1213 1213 A 71 GLU H A 70 LEU HBy 1.0 . 4.38 1214 1214 A 110 HIS H A 109 ARG HDx 1.0 . 5.55 1215 1215 A 70 LEU HA A 71 GLU H 1.0 . 5.05 1216 1216 A 60 ASP HA A 63 VAL H 1.0 . 4.34 1217 1217 A 43 MET H A 43 MET HA 1.0 . 3.74 1218 1218 A 38 MET H A 38 MET HA 1.0 . 4.21 1219 1219 A 42 LEU H A 42 LEU HD1% 1.0 . 4.17 1220 1220 A 111 ILE HG2% A 112 ARG H 1.0 . 4.80 1221 1221 A 125 TYR H A 125 TYR HD% 1.0 . 4.02 1222 1222 A 36 SER H A 35 VAL HG11 1.0 . 4.18 1223 1223 A 118 ARG H A 118 ARG HG3 1.0 . 3.91 1224 1224 A 29 GLU HBx A 30 MET H 1.0 . 4.20 1225 1225 A 35 VAL H A 32 ASN HA 1.0 . 4.09 1226 1226 A 94 GLN H A 94 GLN HBy 1.0 . 3.81 1227 1227 A 117 GLU H A 116 GLU HBy 1.0 . 4.09 1228 1228 A 30 MET H A 27 THR HG2% 1.0 . 4.54 1229 1229 A 50 GLY H A 49 LEU HBy 1.0 . 4.67 1230 1230 A 21 TYR H A 22 GLN H 1.0 . 4.56 1231 1231 A 63 VAL H A 62 GLU HBx 1.0 . 3.87 1232 1232 A 23 LEU HD11 A 24 GLY H 1.0 . 4.87 1233 1233 A 110 HIS H A 110 HIS HB3 1.0 . 3.29 1234 1234 A 31 MET H A 32 ASN HA 1.0 . 5.80 1235 1235 A 119 CYS H A 118 ARG HG3 1.0 . 4.23 1236 1236 A 26 LEU HD2% A 103 LYS H 1.0 . 4.49 1237 1237 A 126 TYR H A 126 TYR HE% 1.0 . 5.18 1238 1238 A 47 LYS H A 48 ILE HA 1.0 . 5.43 1239 1239 A 69 GLU H A 69 GLU HGx 1.0 . 4.82 1240 1240 A 97 LEU H A 97 LEU HBy 1.0 . 3.68 1241 1241 A 92 MET H A 92 MET HGx 1.0 . 3.82 1242 1242 A 16 LYS H A 28 LEU HG 1.0 . 5.26 1243 1243 A 59 SER H A 57 THR HA 1.0 . 5.01 1244 1244 A 9 GLN H A 9 GLN HGy 1.0 . 4.05 1245 1245 A 34 ILE H A 34 ILE HD1% 1.0 . 4.07 1246 1246 A 28 LEU HG A 12 ASP H 1.0 . 5.46 1247 1247 A 31 MET HA A 30 MET H 1.0 . 5.17 1248 1248 A 47 LYS H A 48 ILE HB 1.0 . 4.72 1249 1249 A 49 LEU H A 49 LEU HBx 1.0 . 4.39 1250 1250 A 111 ILE H A 111 ILE HD1% 1.0 . 4.28 1251 1251 A 32 ASN H A 31 MET HBy 1.0 . 4.17 1252 1252 A 35 VAL H A 36 SER HBx 1.0 . 4.35 1253 1253 A 95 ASP H A 96 ARG HBy 1.0 . 6.01 1254 1254 A 64 LEU H A 64 LEU HA 1.0 . 3.54 1255 1255 A 64 LEU HA A 67 TRP H 1.0 . 4.20 1256 1256 A 87 THR H A 86 GLU HA 1.0 . 4.66 1257 1257 A 86 GLU H A 85 ILE HG2% 1.0 . 4.34 1258 1258 A 22 GLN H A 22 GLN HGy 1.0 . 3.76 1259 1259 A 116 GLU H A 115 ARG HBy 1.0 . 3.99 1260 1260 A 109 ARG H A 108 LEU HD11 1.0 . 4.91 1261 1261 A 124 PHE H A 124 PHE HBx 1.0 . 4.30 1262 1262 A 125 TYR H A 126 TYR HA 1.0 . 4.53 1263 1263 A 58 ARG H A 58 ARG HGx 1.0 . 5.19 1264 1264 A 37 LYS H A 37 LYS HG3 1.0 . 3.92 1265 1265 A 115 ARG H A 115 ARG HGy 1.0 . 4.74 1266 1266 A 27 THR HA A 30 MET H 1.0 . 5.01 1267 1267 A 38 MET H A 89 ILE HG2% 1.0 . 4.96 1268 1268 A 10 ILE H A 9 GLN HGy 1.0 . 5.03 1269 1269 A 28 LEU H A 15 PHE HD% 1.0 . 5.18 1270 1270 A 107 CYS H A 105 ILE HD1% 1.0 . 5.83 1271 1271 A 17 THR H A 17 THR HB 1.0 . 4.44 1272 1272 A 105 ILE H A 104 ALA HA 1.0 . 4.60 1273 1273 A 102 ALA H A 101 PHE HBx 1.0 . 3.71 1274 1274 A 12 ASP H A 13 GLU HA 1.0 . 5.21 1275 1275 A 109 ARG H A 114 ILE HG1x 1.0 . 5.60 1276 1276 A 5 ARG H A 5 ARG HDy 1.0 . 5.06 1277 1277 A 63 VAL HG1% A 67 TRP H 1.0 . 5.56 1278 1278 A 126 TYR H A 125 TYR HBx 1.0 . 4.71 1279 1279 A 72 MET HA A 74 ALA H 1.0 . 4.46 1280 1280 A 69 GLU H A 69 GLU HA 1.0 . 3.76 1281 1281 A 27 THR HA A 29 GLU H 1.0 . 4.37 1282 1282 A 73 LYS H A 71 GLU H 1.0 . 3.97 1283 1283 A 51 LYS H A 52 THR H 1.0 . 4.65 1284 1284 A 88 ASP H A 86 GLU HGy 1.0 . 5.70 1285 1285 A 54 LYS H A 53 ASN HA 1.0 . 6.06 1286 1286 A 6 ILE H A 5 ARG HBy 1.0 . 4.31 1287 1287 A 124 PHE HD% A 125 TYR H 1.0 . 4.90 1288 1288 A 103 LYS H A 103 LYS HA 1.0 . 3.69 1289 1289 A 70 LEU H A 70 LEU HD1% 1.0 . 4.10 1290 1290 A 29 GLU H A 27 THR HG2% 1.0 . 4.28 1291 1291 A 7 VAL H A 5 ARG HGy 1.0 . 5.34 1292 1292 A 123 THR HG2% A 119 CYS H 1.0 . 4.76 1293 1293 A 4 ILE H A 3 ASP HA 1.0 . 3.03 1294 1294 A 87 THR H A 87 THR HG2% 1.0 . 3.58 1295 1295 A 124 PHE H A 125 TYR HE% 1.0 . 6.03 1296 1296 A 85 ILE H A 85 ILE HA 1.0 . 4.59 1297 1297 A 126 TYR H A 115 ARG HBx 1.0 . 5.98 1298 1298 A 23 LEU H A 23 LEU HA 1.0 . 3.64 1299 1299 A 41 PHE H A 38 MET HA 1.0 . 4.80 1300 1300 A 62 GLU H A 61 ARG HBy 1.0 . 3.85 1301 1301 A 17 THR HG2% A 16 LYS H 1.0 . 4.59 1302 1302 A 6 ILE H A 43 MET HA 1.0 . 5.50 1303 1303 A 109 ARG H A 109 ARG HBx 1.0 . 3.64 1304 1304 A 35 VAL HA A 37 LYS H 1.0 . 5.07 1305 1305 A 123 THR H A 122 LEU HBx 1.0 . 4.00 1306 1306 A 44 LYS H A 44 LYS HDx 1.0 . 4.36 1307 1307 A 13 GLU H A 11 THR HA 1.0 . 4.25 1308 1308 A 94 GLN H A 97 LEU HBy 1.0 . 4.28 1309 1309 A 109 ARG H A 109 ARG HDy 1.0 . 5.00 1310 1310 A 40 ASP H A 41 PHE HBy 1.0 . 5.28 1311 1311 A 84 PHE H A 124 PHE HA 1.0 . 5.03 1312 1312 A 20 LYS HBy A 21 TYR H 1.0 . 4.87 1313 1313 A 16 LYS H A 15 PHE HBx 1.0 . 4.22 1314 1314 A 37 LYS H A 40 ASP HBy 1.0 . 5.50 1315 1315 A 124 PHE H A 78 LEU HD2% 1.0 . 5.46 1316 1316 A 55 GLN H A 52 THR HG2% 1.0 . 4.71 1317 1317 A 23 LEU H A 20 LYS HA 1.0 . 3.95 1318 1318 A 101 PHE HA A 102 ALA H 1.0 . 4.39 1319 1319 A 58 ARG H A 58 ARG HA 1.0 . 4.32 1320 1320 A 109 ARG H A 108 LEU HA 1.0 . 4.51 1321 1321 A 124 PHE HA A 125 TYR H 1.0 . 3.49 1322 1322 A 54 LYS HG3 A 54 LYS H 1.0 . 4.60 1323 1323 A 93 LEU H A 92 MET HGy 1.0 . 5.32 1324 1324 A 20 LYS H A 20 LYS HGy 1.0 . 4.33 1325 1325 A 73 LYS H A 73 LYS HBx 1.0 . 3.81 1326 1326 A 102 ALA H A 101 PHE HBy 1.0 . 3.96 1327 1327 A 82 LEU H A 81 THR HG2% 1.0 . 4.63 1328 1328 A 64 LEU HD2% A 64 LEU H 1.0 . 4.44 1329 1329 A 74 ALA H A 71 GLU H 1.0 . 5.94 1330 1330 A 9 GLN H A 9 GLN HA 1.0 . 4.03 1331 1331 A 15 PHE H A 18 ILE H 1.0 . 5.90 1332 1332 A 111 ILE H A 112 ARG H 1.0 . 3.50 1333 1333 A 57 THR H A 60 ASP H 1.0 . 4.36 1334 1334 A 112 ARG H A 110 HIS H 1.0 . 4.56 1335 1335 A 83 PHE HD% A 117 GLU H 1.0 . 7.20 1336 1336 A 84 PHE H A 83 PHE HE% 1.0 . 5.49 1337 1337 A 86 GLU H A 84 PHE HD% 1.0 . 5.88 1338 1338 A 113 ARG H A 114 ILE HD1% 1.0 . 5.32 1339 1339 A 90 ARG H A 92 MET H 1.0 . 5.55 1340 1340 A 24 GLY H A 23 LEU H 1.0 . 3.38 1341 1341 A 17 THR H A 14 GLU H 1.0 . 5.74 1342 1342 A 43 MET H A 41 PHE HBx 1.0 . 5.75 1343 1343 A 35 VAL H A 10 ILE H 1.0 . 5.40 1344 1344 A 62 GLU H A 64 LEU H 1.0 . 4.27 1345 1345 A 55 GLN H A 54 LYS H 1.0 . 5.06 1346 1346 A 48 ILE H A 46 SER H 1.0 . 4.70 1347 1347 A 75 ARG H A 74 ALA H 1.0 . 3.80 1348 1348 A 89 ILE H A 86 GLU H 1.0 . 5.99 1349 1349 A 36 SER H A 33 GLU H 1.0 . 5.09 1350 1350 A 39 ASP H A 40 ASP H 1.0 . 3.69 1351 1351 A 125 TYR H A 124 PHE HE% 1.0 . 6.07 1352 1352 A 13 GLU H A 15 PHE H 1.0 . 4.45 1353 1353 A 88 ASP H A 86 GLU H 1.0 . 5.03 1354 1354 A 26 LEU H A 24 GLY H 1.0 . 5.25 1355 1355 A 14 GLU H A 12 ASP H 1.0 . 4.61 1356 1356 A 10 ILE H A 10 ILE HD11 1.0 . 3.50 1357 1357 A 27 THR H A 29 GLU H 1.0 . 5.00 1358 1358 A 38 MET H A 39 ASP H 1.0 . 3.64 1359 1359 A 83 PHE H A 81 THR H 1.0 . 6.36 1360 1360 A 87 THR H A 84 PHE HD% 1.0 . 6.66 1361 1361 A 5 ARG H A 6 ILE HD1% 1.0 . 6.22 1362 1362 A 75 ARG H A 73 LYS H 1.0 . 4.96 1363 1363 A 126 TYR H A 115 ARG H 1.0 . 3.69 1364 1364 A 83 PHE H A 84 PHE HD% 1.0 . 6.10 1365 1365 A 24 GLY H A 22 GLN H 1.0 . 4.10 1366 1366 A 29 GLU H A 30 MET H 1.0 . 3.58 1367 1367 A 83 PHE HD% A 124 PHE H 1.0 . 5.91 1368 1368 A 28 LEU H A 10 ILE HD11 1.0 . 6.33 1369 1369 A 112 ARG H A 111 ILE HD1% 1.0 . 4.18 1370 1370 A 60 ASP H A 56 LEU HD2% 1.0 . 5.23 1371 1371 A 85 ILE H A 125 TYR H 1.0 . 6.69 1372 1372 A 103 LYS H A 100 SER H 1.0 . 5.57 1373 1373 A 71 GLU H A 70 LEU H 1.0 . 3.76 1374 1374 A 42 LEU H A 40 ASP H 1.0 . 4.77 1375 1375 A 43 MET H A 42 LEU H 1.0 . 3.79 1376 1376 A 48 ILE H A 49 LEU HD2% 1.0 . 5.82 1377 1377 A 61 ARG H A 62 GLU H 1.0 . 3.38 1378 1378 A 39 ASP H A 37 LYS H 1.0 . 4.36 1379 1379 A 34 ILE H A 37 LYS H 1.0 . 5.58 1380 1380 A 66 ASN H A 64 LEU H 1.0 . 4.46 1381 1381 A 126 TYR H A 128 GLY H 1.0 . 6.07 1382 1382 A 41 PHE H A 39 ASP H 1.0 . 5.15 1383 1383 A 14 GLU H A 15 PHE H 1.0 . 3.62 1384 1384 A 100 SER H A 101 PHE HBx 1.0 . 4.89 1385 1385 A 52 THR H A 56 LEU H 1.0 . 5.49 1386 1386 A 89 ILE H A 87 THR H 1.0 . 4.56 1387 1387 A 105 ILE H A 34 ILE HD1% 1.0 . 6.24 1388 1388 A 6 ILE H A 7 VAL HG2% 1.0 . 4.53 1389 1389 A 55 GLN H A 52 THR H 1.0 . 4.65 1390 1390 A 66 ASN H A 69 GLU H 1.0 . 4.64 1391 1391 A 65 ASP H A 66 ASN H 1.0 . 3.55 1392 1392 A 32 ASN H A 33 GLU H 1.0 . 3.60 1393 1393 A 60 ASP H A 59 SER H 1.0 . 4.14 1394 1394 A 110 HIS H A 111 ILE HD1% 1.0 . 5.97 1395 1395 A 27 THR H A 31 MET H 1.0 . 4.51 1396 1396 A 34 ILE H A 35 VAL HG21 1.0 . 3.67 1397 1397 A 83 PHE H A 83 PHE HD% 1.0 . 3.97 1398 1398 A 36 SER H A 35 VAL H 1.0 . 3.66 1399 1399 A 34 ILE H A 33 GLU H 1.0 . 3.42 1400 1400 A 83 PHE H A 83 PHE HE% 1.0 . 4.73 1401 1401 A 89 ILE HD1% A 40 ASP H 1.0 . 5.89 1402 1402 A 46 SER H A 42 LEU HD2% 1.0 . 6.09 1403 1403 A 113 ARG H A 110 HIS H 1.0 . 5.58 1404 1404 A 89 ILE HD1% A 42 LEU H 1.0 . 3.76 1405 1405 A 104 ALA H A 102 ALA H 1.0 . 4.61 1406 1406 A 88 ASP H A 89 ILE H 1.0 . 3.55 1407 1407 A 57 THR H A 56 LEU H 1.0 . 5.70 1408 1408 A 14 GLU H A 16 LYS H 1.0 . 4.51 1409 1409 A 34 ILE H A 31 MET H 1.0 . 8.00 1410 1410 A 124 PHE H A 124 PHE HE% 1.0 . 4.79 1411 1411 A 14 GLU H A 15 PHE HBx 1.0 . 5.07 1412 1412 A 46 SER H A 43 MET H 1.0 . 5.43 1413 1413 A 57 THR H A 56 LEU HD2% 1.0 . 3.56 1414 1414 A 125 TYR H A 84 PHE HD% 1.0 . 5.50 1415 1415 A 93 LEU H A 93 LEU HD2% 1.0 . 3.64 1416 1416 A 63 VAL HG2% A 67 TRP H 1.0 . 4.54 1417 1417 A 82 LEU H A 83 PHE HE% 1.0 . 6.32 1418 1418 A 48 ILE H A 64 LEU HD2% 1.0 . 6.13 1419 1419 A 124 PHE H A 83 PHE HBx 1.0 . 6.72 1420 1420 A 36 SER H A 34 ILE H 1.0 . 4.57 1421 1421 A 27 THR H A 26 LEU HD2% 1.0 . 3.28 1422 1422 A 87 THR H A 86 GLU H 1.0 . 3.88 1423 1423 A 89 ILE H A 90 ARG H 1.0 . 3.47 1424 1424 A 66 ASN H A 67 TRP H 1.0 . 3.59 1425 1425 A 14 GLU H A 15 PHE HBy 1.0 . 4.98 1426 1426 A 6 ILE H A 5 ARG H 1.0 . 4.79 1427 1427 A 36 SER H A 93 LEU HD2% 1.0 . 5.04 1428 1428 A 15 PHE H A 28 LEU HD21 1.0 . 3.91 1429 1429 A 41 PHE H A 42 LEU H 1.0 . 3.96 1430 1430 A 84 PHE H A 124 PHE H 1.0 . 6.85 1431 1431 A 36 SER H A 39 ASP H 1.0 . 5.16 1432 1432 A 111 ILE H A 109 ARG H 1.0 . 4.77 1433 1433 A 57 THR H A 59 SER H 1.0 . 6.18 1434 1434 A 44 LYS H A 43 MET H 1.0 . 3.58 1435 1435 A 84 PHE H A 85 ILE H 1.0 . 5.61 1436 1436 A 83 PHE HD% A 125 TYR H 1.0 . 4.88 1437 1437 A 89 ILE H A 89 ILE HD1% 1.0 . 3.92 1438 1438 A 6 ILE H A 6 ILE HD1% 1.0 . 4.60 1439 1439 A 109 ARG H A 110 HIS H 1.0 . 3.54 1440 1440 A 65 ASP H A 63 VAL H 1.0 . 4.13 1441 1441 A 35 VAL H A 37 LYS H 1.0 . 4.71 1442 1442 A 60 ASP H A 63 VAL H 1.0 . 5.21 1443 1443 A 101 PHE H A 101 PHE HD% 1.0 . 4.32 1444 1444 A 111 ILE H A 110 HIS H 1.0 . 3.77 1445 1445 A 88 ASP H A 87 THR H 1.0 . 3.74 1446 1446 A 55 GLN H A 56 LEU HD2% 1.0 . 5.69 1447 1447 A 63 VAL HG2% A 62 GLU H 1.0 . 3.50 1448 1448 A 66 ASN H A 63 VAL H 1.0 . 4.81 1449 1449 A 46 SER H A 44 LYS H 1.0 . 4.68 1450 1450 A 13 GLU H A 16 LYS H 1.0 . 5.19 1451 1451 A 124 PHE HD% A 117 GLU H 1.0 . 5.11 1452 1452 A 28 LEU H A 30 MET H 1.0 . 4.55 1453 1453 A 17 THR H A 15 PHE H 1.0 . 5.04 1454 1454 A 56 LEU H A 56 LEU HD2% 1.0 . 3.76 1455 1455 A 48 ILE H A 47 LYS H 1.0 . 3.53 1456 1456 A 74 ALA H A 70 LEU H 1.0 . 8.00 1457 1457 A 49 LEU H A 49 LEU HD2% 1.0 . 3.81 1458 1458 A 50 GLY H A 51 LYS H 1.0 . 3.30 1459 1459 A 83 PHE H A 125 TYR H 1.0 . 6.43 1460 1460 A 107 CYS H A 109 ARG H 1.0 . 4.14 1461 1461 A 49 LEU H A 50 GLY H 1.0 . 3.67 1462 1462 A 61 ARG H A 60 ASP H 1.0 . 3.59 1463 1463 A 107 CYS H A 110 HIS H 1.0 . 4.64 1464 1464 A 125 TYR H A 83 PHE HBx 1.0 . 5.37 1465 1465 A 23 LEU H A 22 GLN H 1.0 . 3.14 1466 1466 A 105 ILE H A 102 ALA H 1.0 . 5.79 1467 1467 A 124 PHE H A 83 PHE HE% 1.0 . 6.83 1468 1468 A 103 LYS H A 101 PHE HBy 1.0 . 5.65 1469 1469 A 93 LEU H A 92 MET H 1.0 . 3.24 1470 1470 A 83 PHE H A 124 PHE HD% 1.0 . 5.65 1471 1471 A 107 CYS H A 105 ILE H 1.0 . 5.08 1472 1472 A 38 MET H A 37 LYS H 1.0 . 3.50 1473 1473 A 83 PHE HBy A 125 TYR H 1.0 . 5.48 1474 1474 A 125 TYR H A 78 LEU HD2% 1.0 . 4.81 1475 1475 A 113 ARG H A 112 ARG H 1.0 . 3.72 1476 1476 A 31 MET H A 30 MET H 1.0 . 3.50 1477 1477 A 35 VAL H A 33 GLU H 1.0 . 4.35 1478 1478 A 41 PHE H A 40 ASP H 1.0 . 4.00 1479 1479 A 48 ILE H A 51 LYS H 1.0 . 5.34 1480 1480 A 44 LYS H A 6 ILE HD1% 1.0 . 4.05 1481 1481 A 62 GLU H A 63 VAL H 1.0 . 3.33 1482 1482 A 82 LEU H A 81 THR H 1.0 . 3.64 1483 1483 A 61 ARG H A 57 THR H 1.0 . 4.85 1484 1484 A 49 LEU H A 47 LYS H 1.0 . 4.47 1485 1485 A 118 ARG H A 124 PHE H 1.0 . 5.66 1486 1486 A 39 ASP H A 42 LEU H 1.0 . 5.79 1487 1487 A 96 ARG H A 98 ARG H 1.0 . 4.73 1488 1488 A 64 LEU H A 67 TRP H 1.0 . 5.33 1489 1489 A 32 ASN H A 30 MET H 1.0 . 4.49 1490 1490 A 31 MET H A 33 GLU H 1.0 . 4.57 1491 1491 A 67 TRP H A 69 GLU H 1.0 . 3.82 1492 1492 A 33 GLU H A 35 VAL HG21 1.0 . 5.70 1493 1493 A 102 ALA H A 100 SER H 1.0 . 4.76 1494 1494 A 103 LYS H A 101 PHE H 1.0 . 5.13 1495 1495 A 89 ILE H A 85 ILE H 1.0 . 5.77 1496 1496 A 34 ILE H A 35 VAL H 1.0 . 3.56 1497 1497 A 115 ARG H A 125 TYR H 1.0 . 6.18 1498 1498 A 88 ASP H A 84 PHE HD% 1.0 . 5.63 1499 1499 A 62 GLU H A 60 ASP H 1.0 . 4.40 1500 1500 A 83 PHE H A 82 LEU H 1.0 . 5.05 1501 1501 A 122 LEU H A 119 CYS H 1.0 . 4.14 1502 1502 A 41 PHE H A 43 MET H 1.0 . 4.84 1503 1503 A 88 ASP H A 85 ILE HD1% 1.0 . 5.34 1504 1504 A 13 GLU H A 12 ASP H 1.0 . 3.45 1505 1505 A 114 ILE H A 113 ARG H 1.0 . 3.37 1506 1506 A 41 PHE H A 44 LYS H 1.0 . 5.69 1507 1507 A 49 LEU H A 51 LYS H 1.0 . 4.42 1508 1508 A 61 ARG H A 63 VAL H 1.0 . 4.23 1509 1509 A 17 THR H A 16 LYS H 1.0 . 3.86 1510 1510 A 32 ASN H A 10 ILE H 1.0 . 6.09 1511 1511 A 117 GLU H A 78 LEU HD2% 1.0 . 4.54 1512 1512 A 15 PHE H A 16 LYS H 1.0 . 3.76 1513 1513 A 47 LYS H A 46 SER H 1.0 . 3.66 1514 1514 A 118 ARG H A 117 GLU H 1.0 . 4.68 1515 1515 A 104 ALA H A 103 LYS H 1.0 . 3.13 1516 1516 A 27 THR H A 30 MET H 1.0 . 4.27 1517 1517 A 38 MET H A 40 ASP H 1.0 . 4.64 1518 1518 A 124 PHE H A 117 GLU H 1.0 . 3.92 1519 1519 A 114 ILE H A 115 ARG H 1.0 . 5.63 1520 1520 A 36 SER H A 35 VAL HG21 1.0 . 3.47 1521 1521 A 83 PHE H A 124 PHE HE% 1.0 . 6.58 1522 1522 A 48 ILE H A 50 GLY H 1.0 . 4.44 1523 1523 A 40 ASP H A 37 LYS H 1.0 . 5.33 1524 1524 A 36 SER H A 37 LYS H 1.0 . 3.65 1525 1525 A 85 ILE H A 86 GLU H 1.0 . 5.74 1526 1526 A 94 GLN H A 92 MET H 1.0 . 5.09 1527 1527 A 83 PHE H A 124 PHE HBy 1.0 . 6.97 1528 1528 A 93 LEU H A 90 ARG H 1.0 . 6.00 1529 1529 A 5 ARG H A 7 VAL H 1.0 . 5.99 1530 1530 A 27 THR H A 28 LEU H 1.0 . 4.98 1531 1531 A 118 ARG H A 124 PHE HBy 1.0 . 7.31 1532 1532 A 93 LEU H A 89 ILE H 1.0 . 6.27 1533 1533 A 63 VAL HG2% A 64 LEU H 1.0 . 2.85 1534 1534 A 128 GLY H A 115 ARG H 1.0 . 4.87 1535 1535 A 17 THR H A 15 PHE HBy 1.0 . 6.25 1536 1536 A 84 PHE H A 124 PHE HBy 1.0 . 6.16 1537 1537 A 64 LEU H A 48 ILE HD1% 1.0 . 5.32 1538 1538 A 94 GLN H A 97 LEU H 1.0 . 5.08 1539 1539 A 34 ILE H A 32 ASN H 1.0 . 4.39 1540 1540 A 88 ASP H A 89 ILE HD1% 1.0 . 4.43 1541 1541 A 21 TYR H A 23 LEU H 1.0 . 5.57 1542 1542 A 102 ALA H A 103 LYS H 1.0 . 3.67 1543 1543 A 113 ARG H A 111 ILE H 1.0 . 4.44 1544 1544 A 27 THR H A 32 ASN H 1.0 . 6.00 1545 1545 A 125 TYR H A 117 GLU H 1.0 . 6.02 1546 1546 A 10 ILE H A 35 VAL HG21 1.0 . 4.89 1547 1547 A 83 PHE H A 84 PHE H 1.0 . 5.26 1548 1548 A 114 ILE H A 111 ILE H 1.0 . 5.18 1549 1549 A 43 MET H A 41 PHE HBy 1.0 . 5.99 1550 1550 A 84 PHE H A 125 TYR H 1.0 . 4.17 1551 1551 A 117 GLU H A 119 CYS H 1.0 . 6.28 1552 1552 A 41 PHE H A 84 PHE HE% 1.0 . 5.64 1553 1553 A 47 LYS H A 50 GLY H 1.0 . 5.45 1554 1554 A 102 ALA H A 34 ILE HD1% 1.0 . 6.05 1555 1555 A 44 LYS H A 42 LEU H 1.0 . 4.68 1556 1556 A 55 GLN H A 56 LEU H 1.0 . 3.31 1557 1557 A 15 PHE H A 15 PHE HD% 1.0 . 3.97 1558 1558 A 88 ASP H A 90 ARG H 1.0 . 3.90 1559 1559 A 16 LYS H A 18 ILE H 1.0 . 4.52 1560 1560 A 88 ASP H A 85 ILE H 1.0 . 4.86 1561 1561 A 31 MET H A 32 ASN H 1.0 . 3.62 1562 1562 A 114 ILE H A 112 ARG H 1.0 . 4.32 1563 1563 A 83 PHE H A 83 PHE HBy 1.0 . 5.27 1564 1564 A 14 GLU H A 13 GLU H 1.0 . 3.50 1565 1565 A 15 PHE H A 10 ILE HD11 1.0 . 5.32 1566 1566 A 128 GLY H A 113 ARG H 1.0 . 5.62 1567 1567 A 97 LEU H A 98 ARG H 1.0 . 3.15 1568 1568 A 96 ARG H A 97 LEU H 1.0 . 4.19 1569 1569 A 41 PHE HBx A 40 ASP H 1.0 . 5.42 1570 1570 A 32 ASN H A 29 GLU H 1.0 . 4.94 1571 1571 A 114 ILE H A 128 GLY H 1.0 . 5.08 1572 1572 A 107 CYS H A 111 ILE H 1.0 . 6.51 1573 1573 A 65 ASP H A 67 TRP H 1.0 . 4.48 1574 1574 A 41 PHE H A 84 PHE HD% 1.0 . 6.01 1575 1575 A 85 ILE H A 84 PHE HD% 1.0 . 4.10 1576 1576 A 49 LEU H A 48 ILE H 1.0 . 3.55 1577 1577 A 115 ARG H A 116 GLU H 1.0 . 5.10 1578 1578 A 128 GLY H A 129 SER H 1.0 . 4.81 1579 1579 A 49 LEU H A 46 SER H 1.0 . 5.55 1580 1580 A 33 GLU H A 30 MET H 1.0 . 5.38 1581 1581 A 17 THR H A 18 ILE H 1.0 . 3.37 1582 1582 A 64 LEU HD2% A 63 VAL H 1.0 . 6.05 1583 1583 A 62 GLU H A 65 ASP H 1.0 . 4.93 1584 1584 A 28 LEU H A 32 ASN H 1.0 . 6.08 1585 1585 A 103 LYS H A 101 PHE HBx 1.0 . 5.70 1586 1586 A 4 ILE H A 4 ILE HD1% 1.0 . 3.89 1587 1587 A 36 SER H A 38 MET H 1.0 . 4.37 1588 1588 A 83 PHE H A 83 PHE HBx 1.0 . 4.79 1589 1589 A 61 ARG H A 59 SER H 1.0 . 4.92 1590 1590 A 23 LEU H A 18 ILE HD1% 1.0 . 6.26 1591 1591 A 85 ILE H A 83 PHE HE% 1.0 . 6.25 1592 1592 A 64 LEU H A 63 VAL H 1.0 . 3.33 1593 1593 A 5 ARG H A 4 ILE HD1% 1.0 . 4.20 1594 1594 A 118 ARG H A 119 CYS H 1.0 . 4.60 1595 1595 A 13 GLU H A 15 PHE HBy 1.0 . 6.18 1596 1596 A 10 ILE H A 9 GLN H 1.0 . 5.08 1597 1597 A 72 MET H A 74 ALA H 1.0 . 4.78 1598 1598 A 34 ILE HD1% A 105 ILE HD1% 1.0 . 4.84 1599 1599 A 64 LEU HD2% A 48 ILE HD1% 1.0 . 6.03 1600 1600 A 111 ILE HD1% A 10 ILE HD11 1.0 . 3.34 1601 1601 A 42 LEU HD2% A 6 ILE HD1% 1.0 . 5.77 1602 1602 A 108 LEU HD21 A 111 ILE HD1% 1.0 . 3.81 1603 1603 A 114 ILE HD1% A 105 ILE HD1% 1.0 . 3.02 1604 1604 A 23 LEU HD2% A 26 LEU HD2% 1.0 . 3.62 1605 1605 A 34 ILE HD1% A 93 LEU HD2% 1.0 . 4.02 1606 1606 A 82 LEU HD2% A 49 LEU HD2% 1.0 . 6.56 1607 1607 A 49 LEU HD2% A 48 ILE HD1% 1.0 . 7.72 1608 1608 A 34 ILE HD1% A 93 LEU HD1% 1.0 . 4.54 1609 1609 A 89 ILE HD1% A 42 LEU HD2% 1.0 . 4.17 1610 1610 A 122 LEU HD2% A 70 LEU HD2% 1.0 . 4.01 1611 1611 A 10 ILE HD11 A 35 VAL HG21 1.0 . 3.60 1612 1612 A 34 ILE HD1% A 26 LEU HD1% 1.0 . 3.88 1613 1613 A 34 ILE HD1% A 35 VAL HG21 1.0 . 6.00 1614 1614 A 34 ILE HD1% A 97 LEU HD11 1.0 . 3.96 1615 1615 A 63 VAL HG2% A 48 ILE HD1% 1.0 . 2.88 1616 1616 A 63 VAL HG2% A 64 LEU HD2% 1.0 . 4.23 1617 1617 A 108 LEU HD21 A 10 ILE HD11 1.0 . 2.72 1618 1618 A 26 LEU HD2% A 34 ILE HD1% 1.0 . 2.94 1619 1619 A 18 ILE H A 111 ILE HD1% 1.0 . 8.00 1620 1620 A 10 ILE H A 111 ILE HD1% 1.0 . 7.64 1621 1621 A 87 THR H A 85 ILE HD1% 1.0 . 3.51 1622 1622 A 34 ILE HD1% A 101 PHE HBx 1.0 . 8.00 1623 1623 A 34 ILE HD1% A 101 PHE HE% 1.0 . 5.92 1624 1624 A 89 ILE HD1% A 43 MET H 1.0 . 8.00 1625 1625 A 105 ILE HD1% A 101 PHE HE% 1.0 . 3.41 1626 1626 A 15 PHE H A 18 ILE HD1% 1.0 . 4.50 1627 1627 A 82 LEU HD2% A 42 LEU HD2% 1.0 . 3.80 1628 1628 A 18 ILE HD1% A 111 ILE HD1% 1.0 . 2.98 1629 1629 A 111 ILE HD1% A 35 VAL HG21 1.0 . 5.10 1630 1630 A 23 LEU HD2% A 15 PHE HE% 1.0 . 6.03 1631 1631 A 100 SER H A 97 LEU HD21 1.0 . 8.00 1632 1632 A 18 ILE HD1% A 15 PHE HBx 1.0 . 4.72 1633 1633 A 26 LEU HD2% A 98 ARG H 1.0 . 8.00 1634 1634 A 34 ILE HD1% A 101 PHE HBy 1.0 . 8.00 1635 1635 A 89 ILE HD1% A 41 PHE HBx 1.0 . 3.48 1636 1636 A 7 VAL HG2% A 35 VAL HG21 1.0 . 4.51 1637 1637 A 42 LEU H A 6 ILE HD1% 1.0 . 4.21 1638 1638 A 63 VAL HG2% A 67 TRP HE1 1.0 . 8.00 1639 1639 A 34 ILE HD1% A 97 LEU HD21 1.0 . 3.03 1640 1640 A 108 LEU HD21 A 15 PHE HD% 1.0 . 8.00 1641 1641 A 4 ILE H A 6 ILE HD1% 1.0 . 7.35 1642 1642 A 84 PHE H A 89 ILE HD1% 1.0 . 7.77 1643 1643 A 70 LEU H A 85 ILE HD1% 1.0 . 8.00 1644 1644 A 33 GLU H A 97 LEU HD21 1.0 . 4.25 1645 1645 A 42 LEU H A 7 VAL HG2% 1.0 . 8.00 1646 1646 A 14 GLU H A 28 LEU HD21 1.0 . 4.86 1647 1647 A 42 LEU HD2% A 84 PHE HBy 1.0 . 4.32 1648 1648 A 89 ILE HD1% A 85 ILE H 1.0 . 4.36 1649 1649 A 104 ALA H A 105 ILE HD1% 1.0 . 4.32 1650 1650 A 43 MET H A 6 ILE HD1% 1.0 . 3.05 1651 1651 A 109 ARG H A 105 ILE HD1% 1.0 . 5.35 1652 1652 A 124 PHE HE% A 78 LEU HD2% 1.0 . 7.33 1653 1653 A 84 PHE HBx A 42 LEU HD2% 1.0 . 3.97 1654 1654 A 93 LEU HD2% A 97 LEU HD21 1.0 . 3.05 1655 1655 A 48 ILE H A 48 ILE HD1% 1.0 . 3.53 1656 1656 A 85 ILE H A 85 ILE HD1% 1.0 . 4.13 1657 1657 A 124 PHE HBy A 78 LEU HD2% 1.0 . 7.42 1658 1658 A 89 ILE HD1% A 93 LEU HD2% 1.0 . 6.38 1659 1659 A 84 PHE HE% A 70 LEU HD2% 1.0 . 6.79 1660 1660 A 114 ILE HD1% A 84 PHE HD% 1.0 . 7.27 1661 1661 A 23 LEU HD2% A 15 PHE HD% 1.0 . 6.94 1662 1662 A 15 PHE HD% A 10 ILE HD11 1.0 . 5.95 1663 1663 A 85 ILE HD1% A 70 LEU HD2% 1.0 . 2.95 1664 1664 A 89 ILE H A 85 ILE HD1% 1.0 . 6.54 1665 1665 A 84 PHE HD% A 7 VAL HG2% 1.0 . 8.00 1666 1666 A 15 PHE HE% A 18 ILE HD1% 1.0 . 6.48 1667 1667 A 29 GLU H A 28 LEU HD21 1.0 . 4.13 1668 1668 A 78 LEU HD2% A 83 PHE HE% 1.0 . 7.84 1669 1669 A 15 PHE HE% A 28 LEU HD21 1.0 . 6.34 1670 1670 A 85 ILE HD1% A 83 PHE HE% 1.0 . 7.19 1671 1671 A 82 LEU HD2% A 43 MET H 1.0 . 8.00 1672 1672 A 93 LEU HD2% A 101 PHE HD% 1.0 . 6.01 1673 1673 A 89 ILE HD1% A 84 PHE HD% 1.0 . 6.60 1674 1674 A 46 SER H A 6 ILE HD1% 1.0 . 3.86 1675 1675 A 93 LEU HD2% A 101 PHE HE% 1.0 . 4.00 1676 1676 A 40 ASP H A 7 VAL HG2% 1.0 . 8.00 1677 1677 A 98 ARG H A 97 LEU HD21 1.0 . 7.59 1678 1678 A 83 PHE H A 42 LEU HD2% 1.0 . 4.21 1679 1679 A 97 LEU HD21 A 101 PHE HD% 1.0 . 8.00 1680 1680 A 85 ILE HD1% A 84 PHE HE% 1.0 . 7.99 1681 1681 A 113 ARG H A 111 ILE HD1% 1.0 . 4.14 1682 1682 A 37 LYS H A 35 VAL HG21 1.0 . 5.83 1683 1683 A 15 PHE HBy A 18 ILE HD1% 1.0 . 4.56 1684 1684 A 124 PHE HE% A 70 LEU HD2% 1.0 . 8.00 1685 1685 A 26 LEU HD2% A 15 PHE HE% 1.0 . 8.00 1686 1686 A 124 PHE HD% A 70 LEU HD2% 1.0 . 7.85 1687 1687 A 89 ILE HD1% A 84 PHE HBy 1.0 . 4.27 1688 1688 A 61 ARG H A 64 LEU HD2% 1.0 . 4.76 1689 1689 A 109 ARG H A 108 LEU HD21 1.0 . 4.59 1690 1690 A 84 PHE H A 42 LEU HD2% 1.0 . 4.47 1691 1691 A 63 VAL HG2% A 60 ASP H 1.0 . 4.61 1692 1692 A 83 PHE HD% A 78 LEU HD2% 1.0 . 6.44 1693 1693 A 64 LEU HD2% A 56 LEU HD2% 1.0 . 4.55 1694 1694 A 6 ILE HD1% A 7 VAL HG2% 1.0 . 4.64 1695 1695 A 124 PHE HD% A 78 LEU HD2% 1.0 . 6.31 1696 1696 A 111 ILE HD1% A 15 PHE HD% 1.0 . 8.00 1697 1697 A 85 ILE HD1% A 122 LEU HD2% 1.0 . 3.87 1698 1698 A 15 PHE HBx A 28 LEU HD21 1.0 . 4.04 1699 1699 A 39 ASP H A 7 VAL HG2% 1.0 . 3.92 1700 1700 A 70 LEU H A 70 LEU HD2% 1.0 . 3.47 1701 1701 A 63 VAL HG2% A 63 VAL H 1.0 . 2.71 1702 1702 A 10 ILE H A 28 LEU HD21 1.0 . 4.43 1703 1703 A 85 ILE H A 70 LEU HD2% 1.0 . 8.00 1704 1704 A 15 PHE HE% A 111 ILE HD1% 1.0 . 8.00 1705 1705 A 108 LEU HD21 A 35 VAL HG21 1.0 . 2.94 1706 1706 A 28 LEU H A 23 LEU HD2% 1.0 . 5.77 1707 1707 A 16 LYS H A 18 ILE HD1% 1.0 . 4.71 1708 1708 A 70 LEU HD2% A 83 PHE HE% 1.0 . 6.89 1709 1709 A 124 PHE HE% A 85 ILE HD1% 1.0 . 7.52 1710 1710 A 47 LYS H A 48 ILE HD1% 1.0 . 4.20 1711 1711 A 42 LEU HD2% A 84 PHE HD% 1.0 . 5.44 1712 1712 A 83 PHE HBy A 78 LEU HD2% 1.0 . 5.18 1713 1713 A 41 PHE H A 89 ILE HD1% 1.0 . 3.56 1714 1714 A 124 PHE HD% A 122 LEU HD2% 1.0 . 7.00 1715 1715 A 12 ASP H A 28 LEU HD21 1.0 . 3.66 1716 1716 A 104 ALA H A 26 LEU HD2% 1.0 . 6.65 1717 1717 A 34 ILE H A 97 LEU HD21 1.0 . 3.74 1718 1718 A 97 LEU HD21 A 101 PHE HE% 1.0 . 8.00 1719 1719 A 124 PHE HE% A 122 LEU HD2% 1.0 . 8.00 1720 1720 A 124 PHE HD% A 85 ILE HD1% 1.0 . 7.07 1721 1721 A 41 PHE HBx A 42 LEU HD2% 1.0 . 8.00 1722 1722 A 28 LEU HD21 A 15 PHE HD% 1.0 . 8.00 1723 1723 A 15 PHE HE% A 108 LEU HD21 1.0 . 8.00 1724 1724 A 105 ILE HD1% A 101 PHE HD% 1.0 . 4.05 1725 1725 A 17 THR H A 18 ILE HD1% 1.0 . 4.54 1726 1726 A 35 VAL H A 35 VAL HG21 1.0 . 2.83 1727 1727 A 47 LYS H A 6 ILE HD1% 1.0 . 6.08 1728 1728 A 78 LEU HD2% A 83 PHE HBx 1.0 . 4.73 1729 1729 A 83 PHE HD% A 70 LEU HD2% 1.0 . 7.72 1730 1730 A 15 PHE HBy A 28 LEU HD21 1.0 . 3.94 1731 1731 A 15 PHE H A 111 ILE HD1% 1.0 . 8.00 1732 1732 A 41 PHE HD% A 42 LEU HD2% 1.0 . 5.93 1733 1733 A 42 LEU HD2% A 84 PHE HE% 1.0 . 6.21 1734 1734 A 64 LEU HD2% A 66 ASN H 1.0 . 7.25 1735 1735 A 97 LEU H A 97 LEU HD21 1.0 . 3.88 1736 1736 A 89 ILE HD1% A 41 PHE HBy 1.0 . 3.38 1737 1737 A 10 ILE H A 108 LEU HD21 1.0 . 7.53 1738 1738 A 82 LEU HD2% A 44 LYS H 1.0 . 8.00 1739 1739 A 83 PHE HD% A 85 ILE HD1% 1.0 . 8.00 1740 1740 A 26 LEU HD2% A 15 PHE HD% 1.0 . 8.00 1741 1741 A 124 PHE HBx A 78 LEU HD2% 1.0 . 6.62 1742 1742 A 89 ILE HD1% A 84 PHE HE% 1.0 . 6.35 1743 1743 A 46 SER H A 48 ILE HD1% 1.0 . 7.71 1744 1744 A 89 ILE HD1% A 101 PHE HD% 1.0 . 8.00 1745 1745 A 7 VAL H A 7 VAL HG2% 1.0 . 3.06 1746 1746 A 86 GLU HA A 86 GLU HBy 1.0 . 4.33 1747 1747 A 80 THR HG2% A 82 LEU HA 1.0 . 5.60 1748 1748 A 74 ALA HA A 124 PHE HE% 1.0 . 8.00 1749 1749 A 105 ILE HB A 105 ILE HD1% 1.0 . 4.74 1750 1750 A 38 MET HA A 89 ILE HG2% 1.0 . 5.15 1751 1751 A 126 TYR HA A 126 TYR HBy 1.0 . 4.81 1752 1752 A 18 ILE HD1% A 15 PHE HD% 1.0 . 3.99 1753 1753 A 122 LEU HG A 122 LEU HA 1.0 . 4.61 1754 1754 A 89 ILE HD1% A 38 MET HA 1.0 . 4.14 1755 1755 A 80 THR HA A 80 THR HG2% 1.0 . 4.08 1756 1756 A 104 ALA HB% A 34 ILE HD1% 1.0 . 3.52 1757 1757 A 86 GLU HA A 125 TYR HE% 1.0 . 4.86 1758 1758 A 123 THR HG2% A 123 THR HB 1.0 . 3.46 1759 1759 A 28 LEU HA A 31 MET HBy 1.0 . 4.85 1760 1760 A 18 ILE HD1% A 18 ILE HB 1.0 . 3.54 1761 1761 A 78 LEU HD2% A 78 LEU HD1% 1.0 . 3.44 1762 1762 A 10 ILE HA A 10 ILE HD11 1.0 . 4.47 1763 1763 A 101 PHE HA A 101 PHE HBx 1.0 . 4.89 1764 1764 A 83 PHE HA A 126 TYR HA 1.0 . 5.02 1765 1765 A 106 PRO HA A 106 PRO HBx 1.0 . 4.40 1766 1766 A 31 MET HBx A 28 LEU HA 1.0 . 4.82 1767 1767 A 60 ASP HA A 48 ILE HD1% 1.0 . 3.72 1768 1768 A 85 ILE HD1% A 85 ILE HG2% 1.0 . 3.21 1769 1769 A 85 ILE HA A 85 ILE HG2% 1.0 . 3.66 1770 1770 A 123 THR HA A 123 THR HB 1.0 . 4.44 1771 1771 A 63 VAL HG1% A 48 ILE HD1% 1.0 . 3.52 1772 1772 A 63 VAL HA A 66 ASN HBy 1.0 . 4.47 1773 1773 A 86 GLU HGx A 87 THR HA 1.0 . 4.46 1774 1774 A 18 ILE HD1% A 15 PHE HA 1.0 . 3.57 1775 1775 A 4 ILE HB A 4 ILE HD1% 1.0 . 3.62 1776 1776 A 85 ILE HA A 125 TYR HE% 1.0 . 5.11 1777 1777 A 34 ILE HD1% A 31 MET HGy 1.0 . 4.06 1778 1778 A 31 MET HA A 34 ILE HD1% 1.0 . 3.65 1779 1779 A 87 THR HG2% A 85 ILE HD1% 1.0 . 4.32 1780 1780 A 33 GLU HGx A 34 ILE HD1% 1.0 . 3.75 1781 1781 A 116 GLU HA A 125 TYR HE% 1.0 . 4.72 1782 1782 A 78 LEU HD2% A 78 LEU HA 1.0 . 3.74 1783 1783 A 48 ILE HA A 51 LYS HGy 1.0 . 5.09 1784 1784 A 6 ILE HB A 6 ILE HD1% 1.0 . 3.84 1785 1785 A 35 VAL HA A 35 VAL HG11 1.0 . 4.75 1786 1786 A 11 THR HB A 11 THR HG2% 1.0 . 3.45 1787 1787 A 85 ILE HB A 85 ILE HA 1.0 . 4.25 1788 1788 A 116 GLU HA A 116 GLU HBy 1.0 . 3.92 1789 1789 A 63 VAL HG1% A 63 VAL HA 1.0 . 3.91 1790 1790 A 102 ALA HA A 101 PHE HD% 1.0 . 5.16 1791 1791 A 57 THR HB A 57 THR HA 1.0 . 3.85 1792 1792 A 93 LEU HA A 93 LEU HD2% 1.0 . 4.59 1793 1793 A 48 ILE HA A 49 LEU HD2% 1.0 . 4.35 1794 1794 A 87 THR HA A 87 THR HB 1.0 . 3.45 1795 1795 A 84 PHE HBx A 84 PHE HA 1.0 . 5.10 1796 1796 A 10 ILE HG1y A 10 ILE HD11 1.0 . 4.10 1797 1797 A 105 ILE HA A 105 ILE HD1% 1.0 . 3.97 1798 1798 A 46 SER HBx A 6 ILE HD1% 1.0 . 4.28 1799 1799 A 34 ILE HD1% A 100 SER HBy 1.0 . 4.52 1800 1800 A 4 ILE HG1y A 4 ILE HD1% 1.0 . 3.34 1801 1801 A 6 ILE HD1% A 6 ILE HG1y 1.0 . 3.96 1802 1802 A 122 LEU HBy A 119 CYS HA 1.0 . 5.35 1803 1803 A 111 ILE HD1% A 108 LEU HD11 1.0 . 4.00 1804 1804 A 78 LEU HD2% A 78 LEU HBy 1.0 . 4.01 1805 1805 A 5 ARG HGx A 6 ILE HD1% 1.0 . 4.02 1806 1806 A 49 LEU HD1% A 81 THR HB 1.0 . 4.16 1807 1807 A 80 THR HB A 80 THR HA 1.0 . 4.23 1808 1808 A 102 ALA HB% A 103 LYS HA 1.0 . 4.97 1809 1809 A 116 GLU HA A 125 TYR HD% 1.0 . 4.41 1810 1810 A 10 ILE HG1x A 10 ILE HD11 1.0 . 4.15 1811 1811 A 129 SER HA A 129 SER HBy 1.0 . 3.34 1812 1812 A 6 ILE HD1% A 46 SER HBy 1.0 . 4.11 1813 1813 A 78 LEU HD2% A 78 LEU HG 1.0 . 4.37 1814 1814 A 87 THR HG2% A 87 THR HB 1.0 . 3.15 1815 1815 A 86 GLU HGx A 86 GLU HA 1.0 . 4.40 1816 1816 A 28 LEU HA A 28 LEU HD1% 1.0 . 4.69 1817 1817 A 86 GLU HBx A 86 GLU HA 1.0 . 4.27 1818 1818 A 4 ILE HA A 4 ILE HD1% 1.0 . 3.89 1819 1819 A 74 ALA HA A 119 CYS HBy 1.0 . 6.50 1820 1820 A 43 MET HG3 A 6 ILE HD1% 1.0 . 4.27 1821 1821 A 116 GLU HBy A 125 TYR HA 1.0 . 6.79 1822 1822 A 107 CYS HBy A 107 CYS HA 1.0 . 4.78 1823 1823 A 86 GLU HA A 86 GLU HGy 1.0 . 4.19 1824 1824 A 118 ARG HA A 123 THR HG2% 1.0 . 4.41 1825 1825 A 114 ILE HD1% A 105 ILE HA 1.0 . 4.66 1826 1826 A 11 THR HA A 11 THR HB 1.0 . 3.72 1827 1827 A 4 ILE HG1x A 4 ILE HD1% 1.0 . 3.28 1828 1828 A 101 PHE HA A 101 PHE HBy 1.0 . 4.71 1829 1829 A 93 LEU HA A 93 LEU HBx 1.0 . 5.10 1830 1830 A 57 THR HG2% A 57 THR HB 1.0 . 3.51 1831 1831 A 85 ILE HG2% A 70 LEU HD2% 1.0 . 3.89 1832 1832 A 71 GLU HA A 78 LEU HD1% 1.0 . 4.78 1833 1833 A 105 ILE HA A 108 LEU HD21 1.0 . 4.55 1834 1834 A 126 TYR HD% A 80 THR HG2% 1.0 . 3.77 1835 1835 A 107 CYS HBx A 107 CYS HA 1.0 . 5.01 1836 1836 A 114 ILE HD1% A 114 ILE HG1y 1.0 . 3.86 1837 1837 A 46 SER HA A 4 ILE HD1% 1.0 . 6.47 1838 1838 A 84 PHE HA A 84 PHE HE% 1.0 . 5.18 1839 1839 A 28 LEU HA A 31 MET HGx 1.0 . 5.69 1840 1840 A 126 TYR HD% A 126 TYR HA 1.0 . 5.13 1841 1841 A 48 ILE HA A 48 ILE HB 1.0 . 4.33 1842 1842 A 125 TYR HBy A 125 TYR HA 1.0 . 6.76 1843 1843 A 40 ASP HBx A 38 MET HA 1.0 . 4.68 1844 1844 A 124 PHE HE% A 85 ILE HG2% 1.0 . 4.21 1845 1845 A 122 LEU HA A 122 LEU HD2% 1.0 . 3.80 1846 1846 A 78 LEU HD2% A 78 LEU HBx 1.0 . 3.72 1847 1847 A 82 LEU HD2% A 82 LEU HA 1.0 . 5.59 1848 1848 A 83 PHE HD% A 83 PHE HA 1.0 . 5.11 1849 1849 A 124 PHE HA A 85 ILE HA 1.0 . 5.42 1850 1850 A 111 ILE HG2% A 111 ILE HD1% 1.0 . 3.55 1851 1851 A 105 ILE HD1% A 116 GLU HBy 1.0 . 4.03 1852 1852 A 123 THR HG2% A 116 GLU HA 1.0 . 4.73 1853 1853 A 83 PHE HA A 126 TYR HBy 1.0 . 5.85 1854 1854 A 52 THR HB A 51 LYS HA 1.0 . 5.44 1855 1855 A 89 ILE HD1% A 89 ILE HG2% 1.0 . 3.72 1856 1856 A 114 ILE HD1% A 115 ARG HA 1.0 . 5.52 1857 1857 A 118 ARG HA A 118 ARG HBy 1.0 . 4.38 1858 1858 A 89 ILE HA A 89 ILE HG2% 1.0 . 3.66 1859 1859 A 26 LEU HD2% A 104 ALA HA 1.0 . 3.80 1860 1860 A 126 TYR HBx A 80 THR HG2% 1.0 . 4.16 1861 1861 A 26 LEU HD2% A 104 ALA HB% 1.0 . 3.47 1862 1862 A 63 VAL HA A 63 VAL HB 1.0 . 3.94 1863 1863 A 46 SER HA A 6 ILE HD1% 1.0 . 5.53 1864 1864 A 102 ALA HA A 101 PHE HE% 1.0 . 7.64 1865 1865 A 49 LEU HD1% A 46 SER HA 1.0 . 6.00 1866 1866 A 119 CYS HA A 119 CYS HBy 1.0 . 4.20 1867 1867 A 114 ILE HB A 114 ILE HA 1.0 . 4.45 1868 1868 A 46 SER HA A 46 SER HBx 1.0 . 5.26 1869 1869 A 108 LEU HD21 A 105 ILE HD1% 1.0 . 4.45 1870 1870 A 101 PHE HA A 104 ALA HB% 1.0 . 4.14 1871 1871 A 60 ASP HBy A 48 ILE HD1% 1.0 . 3.71 1872 1872 A 81 THR HB A 81 THR HG2% 1.0 . 3.41 1873 1873 A 52 THR HB A 52 THR HA 1.0 . 3.79 1874 1874 A 89 ILE HG1x A 89 ILE HG2% 1.0 . 3.46 1875 1875 A 15 PHE HA A 15 PHE HD% 1.0 . 4.10 1876 1876 A 104 ALA HB% A 104 ALA HA 1.0 . 3.38 1877 1877 A 108 LEU HD21 A 107 CYS HA 1.0 . 4.17 1878 1878 A 104 ALA HB% A 108 LEU HD21 1.0 . 4.24 1879 1879 A 125 TYR HD% A 125 TYR HA 1.0 . 4.07 1880 1880 A 63 VAL HG2% A 63 VAL HA 1.0 . 4.30 1881 1881 A 66 ASN HBx A 63 VAL HA 1.0 . 4.22 1882 1882 A 119 CYS HBx A 74 ALA HA 1.0 . 6.46 1883 1883 A 28 LEU HA A 28 LEU HB3 1.0 . 4.37 1884 1884 A 28 LEU HA A 28 LEU HG 1.0 . 3.96 1885 1885 A 17 THR HB A 17 THR HA 1.0 . 3.12 1886 1886 A 74 ALA HB% A 74 ALA HA 1.0 . 5.21 1887 1887 A 107 CYS HBx A 18 ILE HD1% 1.0 . 4.15 1888 1888 A 85 ILE HG1y A 85 ILE HD1% 1.0 . 3.67 1889 1889 A 82 LEU HB3 A 82 LEU HA 1.0 . 5.60 1890 1890 A 111 ILE HB A 111 ILE HD1% 1.0 . 4.01 1891 1891 A 118 ARG HA A 118 ARG HBx 1.0 . 4.46 1892 1892 A 83 PHE HBy A 83 PHE HA 1.0 . 5.13 1893 1893 A 34 ILE HD1% A 101 PHE HD% 1.0 . 4.11 1894 1894 A 122 LEU HBx A 122 LEU HA 1.0 . 4.27 1895 1895 A 43 MET HBx A 6 ILE HD1% 1.0 . 4.01 1896 1896 A 80 THR HB A 80 THR HG2% 1.0 . 3.36 1897 1897 A 52 THR HB A 52 THR HG2% 1.0 . 3.57 1898 1898 A 18 ILE HD1% A 107 CYS HBy 1.0 . 3.94 1899 1899 A 48 ILE HD1% A 44 LYS HBy 1.0 . 3.09 1900 1900 A 71 GLU HA A 74 ALA HB% 1.0 . 4.84 1901 1901 A 126 TYR HBx A 126 TYR HA 1.0 . 4.82 1902 1902 A 126 TYR HA A 80 THR HG2% 1.0 . 4.60 1903 1903 A 17 THR HG2% A 17 THR HB 1.0 . 3.34 1904 1904 A 126 TYR HBx A 83 PHE HA 1.0 . 5.49 1905 1905 A 35 VAL HA A 35 VAL HG21 1.0 . 3.96 1906 1906 A 93 LEU HA A 93 LEU HBy 1.0 . 4.83 1907 1907 A 47 LYS HGx A 48 ILE HA 1.0 . 5.13 1908 1908 A 34 ILE HA A 93 LEU HD2% 1.0 . 3.46 1909 1909 A 122 LEU HBy A 122 LEU HA 1.0 . 4.28 1910 1910 A 48 ILE HB A 48 ILE HD1% 1.0 . 3.35 1911 1911 A 89 ILE HB A 89 ILE HG2% 1.0 . 3.59 1912 1912 A 17 THR HG2% A 17 THR HA 1.0 . 3.12 1913 1913 A 85 ILE HB A 85 ILE HD1% 1.0 . 3.69 1914 1914 A 87 THR HB A 85 ILE HD1% 1.0 . 5.07 1915 1915 A 85 ILE HG1y A 85 ILE HG2% 1.0 . 4.18 1916 1916 A 89 ILE HB A 86 GLU HA 1.0 . 5.66 1917 1917 A 105 ILE HA A 105 ILE HB 1.0 . 5.25 1918 1918 A 43 MET HA A 6 ILE HD1% 1.0 . 3.85 1919 1919 A 124 PHE HD% A 85 ILE HG2% 1.0 . 4.14 1920 1920 A 102 ALA HB% A 102 ALA HA 1.0 . 3.21 1921 1921 A 126 TYR HD% A 125 TYR HA 1.0 . 6.90 1922 1922 A 35 VAL HA A 35 VAL HB 1.0 . 4.59 1923 1923 A 87 THR HA A 87 THR HG2% 1.0 . 3.35 1924 1924 A 118 ARG HA A 118 ARG HG3 1.0 . 4.36 1925 1925 A 114 ILE HD1% A 114 ILE HA 1.0 . 3.71 1926 1926 A 101 PHE HA A 101 PHE HD% 1.0 . 4.85 1927 1927 A 6 ILE HA A 6 ILE HD1% 1.0 . 4.06 1928 1928 A 94 GLN HA A 93 LEU HA 1.0 . 7.45 1929 1929 A 120 GLY HAx A 120 GLY HAy 1.0 . 4.09 1930 1930 A 83 PHE HA A 83 PHE HBx 1.0 . 5.01 1931 1931 A 34 ILE HD1% A 31 MET HGx 1.0 . 3.93 1932 1932 A 123 THR HB A 125 TYR HE% 1.0 . 5.06 1933 1933 A 84 PHE HD% A 84 PHE HA 1.0 . 5.15 1934 1934 A 93 LEU HD2% A 89 ILE HG2% 1.0 . 3.29 1935 1935 A 86 GLU HA A 89 ILE HG1x 1.0 . 5.64 1936 1936 A 124 PHE HA A 85 ILE HG2% 1.0 . 3.80 1937 1937 A 101 PHE HA A 34 ILE HD1% 1.0 . 4.40 1938 1938 A 116 GLU HBx A 116 GLU HA 1.0 . 3.82 1939 1939 A 115 ARG HA A 115 ARG HBy 1.0 . 4.25 1940 1940 A 82 LEU HG A 82 LEU HA 1.0 . 5.62 1941 1941 A 105 ILE HD1% A 125 TYR HE% 1.0 . 4.70 1942 1942 A 47 LYS HGx A 46 SER HA 1.0 . 6.16 1943 1943 A 84 PHE HBy A 84 PHE HA 1.0 . 5.10 1944 1944 A 110 HIS HB3 A 107 CYS HA 1.0 . 4.97 1945 1945 A 118 ARG HA A 118 ARG HD3 1.0 . 4.92 1946 1946 A 114 ILE HB A 114 ILE HD1% 1.0 . 3.79 1947 1947 A 83 PHE HD% A 84 PHE HA 1.0 . 5.33 1948 1948 A 38 MET HA A 42 LEU HD2% 1.0 . 4.97 1949 1949 A 85 ILE HB A 85 ILE HG2% 1.0 . 3.56 1950 1950 A 81 THR HA A 81 THR HB 1.0 . 3.61 1951 1951 A 106 PRO HBy A 106 PRO HBx 1.0 . 3.87 1952 1952 A 126 TYR HD% A 83 PHE HA 1.0 . 5.40 1953 1953 A 48 ILE HA A 48 ILE HD1% 1.0 . 3.71 1954 1954 A 124 PHE HD% A 74 ALA HA 1.0 . 6.44 1955 1955 A 28 LEU HA A 28 LEU HD21 1.0 . 4.69 1956 1956 A 129 SER HA A 129 SER HBx 1.0 . 3.37 1957 1957 A 93 LEU HD1% A 86 GLU HA 1.0 . 5.79 1958 1958 A 34 ILE HD1% A 34 ILE HB 1.0 . 3.39 1959 1959 A 34 ILE HA A 34 ILE HD1% 1.0 . 4.34 1960 1960 A 89 ILE HD1% A 101 PHE HE% 1.0 . 5.07 1961 1961 A 129 SER HA A 126 TYR HBx 1.0 . 6.70 1962 1962 A 80 THR HG2% A 126 TYR HBy 1.0 . 4.18 1963 1963 A 111 ILE HA A 111 ILE HD1% 1.0 . 4.85 1964 1964 A 128 GLY HAx A 128 GLY HAy 1.0 . 3.50 1965 1965 A 46 SER HA A 46 SER HBy 1.0 . 4.97 1966 1966 A 90 ARG HA A 89 ILE HG2% 1.0 . 3.88 1967 1967 A 119 CYS HBx A 119 CYS HA 1.0 . 4.03 1968 1968 A 106 PRO HBy A 106 PRO HA 1.0 . 4.35 1969 1969 A 89 ILE HA A 89 ILE HD1% 1.0 . 4.56 1970 1970 A 122 LEU HD1% A 122 LEU HA 1.0 . 4.62 1971 1971 A 85 ILE HA A 85 ILE HD1% 1.0 . 4.55 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 28 LEU O A 32 ASN N 1.0 . 3.10 2 2 A 32 ASN H A 28 LEU O 1.0 . 2.40 3 3 A 29 GLU O A 33 GLU N 1.0 . 3.10 4 4 A 33 GLU H A 29 GLU O 1.0 . 2.40 5 5 A 30 MET O A 34 ILE N 1.0 . 3.10 6 6 A 34 ILE H A 30 MET O 1.0 . 2.40 7 7 A 31 MET O A 35 VAL N 1.0 . 3.10 8 8 A 35 VAL H A 31 MET O 1.0 . 2.40 9 9 A 32 ASN O A 36 SER N 1.0 . 3.10 10 10 A 36 SER H A 32 ASN O 1.0 . 2.40 11 11 A 33 GLU O A 37 LYS N 1.0 . 3.10 12 12 A 37 LYS H A 33 GLU O 1.0 . 2.40 13 13 A 34 ILE O A 38 MET N 1.0 . 3.10 14 14 A 38 MET H A 34 ILE O 1.0 . 2.40 15 15 A 35 VAL O A 39 ASP N 1.0 . 3.10 16 16 A 39 ASP H A 35 VAL O 1.0 . 2.40 17 17 A 36 SER O A 40 ASP N 1.0 . 3.10 18 18 A 40 ASP H A 36 SER O 1.0 . 2.40 19 19 A 37 LYS O A 41 PHE N 1.0 . 3.10 20 20 A 41 PHE H A 37 LYS O 1.0 . 2.40 21 21 A 38 MET O A 42 LEU N 1.0 . 3.10 22 22 A 42 LEU H A 38 MET O 1.0 . 2.40 23 23 A 39 ASP O A 43 MET N 1.0 . 3.10 24 24 A 43 MET H A 39 ASP O 1.0 . 2.40 25 25 A 40 ASP O A 44 LYS N 1.0 . 3.10 26 26 A 44 LYS H A 40 ASP O 1.0 . 2.40 27 27 A 41 PHE O A 45 LYS N 1.0 . 3.10 28 28 A 45 LYS H A 41 PHE O 1.0 . 2.40 29 29 A 42 LEU O A 46 SER N 1.0 . 3.10 30 30 A 46 SER H A 42 LEU O 1.0 . 2.40 31 31 A 43 MET O A 47 LYS N 1.0 . 3.10 32 32 A 47 LYS H A 43 MET O 1.0 . 2.40 33 33 A 44 LYS O A 48 ILE N 1.0 . 3.10 34 34 A 48 ILE H A 44 LYS O 1.0 . 2.40 35 35 A 45 LYS O A 49 LEU N 1.0 . 3.10 36 36 A 49 LEU H A 45 LYS O 1.0 . 2.40 37 37 A 58 ARG O A 62 GLU N 1.0 . 3.10 38 38 A 62 GLU H A 58 ARG O 1.0 . 2.40 39 39 A 59 SER O A 63 VAL N 1.0 . 3.10 40 40 A 63 VAL H A 59 SER O 1.0 . 2.40 41 41 A 60 ASP O A 64 LEU N 1.0 . 3.10 42 42 A 64 LEU H A 60 ASP O 1.0 . 2.40 43 43 A 61 ARG O A 65 ASP N 1.0 . 3.10 44 44 A 65 ASP H A 61 ARG O 1.0 . 2.40 45 45 A 62 GLU O A 66 ASN N 1.0 . 3.10 46 46 A 66 ASN H A 62 GLU O 1.0 . 2.40 47 47 A 63 VAL O A 67 TRP N 1.0 . 3.10 48 48 A 67 TRP H A 63 VAL O 1.0 . 2.40 49 49 A 64 LEU O A 68 ARG N 1.0 . 3.10 50 50 A 68 ARG H A 64 LEU O 1.0 . 2.40 51 51 A 65 ASP O A 69 GLU N 1.0 . 3.10 52 52 A 69 GLU H A 65 ASP O 1.0 . 2.40 53 53 A 66 ASN O A 70 LEU N 1.0 . 3.10 54 54 A 70 LEU H A 66 ASN O 1.0 . 2.40 55 55 A 67 TRP O A 71 GLU N 1.0 . 3.10 56 56 A 71 GLU H A 67 TRP O 1.0 . 2.40 57 57 A 68 ARG O A 72 MET N 1.0 . 3.10 58 58 A 72 MET H A 68 ARG O 1.0 . 2.40 59 59 A 69 GLU O A 73 LYS N 1.0 . 3.10 60 60 A 73 LYS H A 69 GLU O 1.0 . 2.40 61 61 A 70 LEU O A 74 ALA N 1.0 . 3.10 62 62 A 74 ALA H A 70 LEU O 1.0 . 2.40 63 63 A 100 SER O A 104 ALA N 1.0 . 3.10 64 64 A 104 ALA H A 100 SER O 1.0 . 2.40 65 65 A 125 TYR H A 84 PHE O 1.0 . 2.70 66 66 A 84 PHE H A 125 TYR O 1.0 . 2.70 67 67 A 83 PHE HA A 125 TYR O 1.0 . 2.70 68 68 A 124 PHE HA A 84 PHE O 1.0 . 2.70 69 69 A 119 CYS H A 122 LEU O 1.0 . 2.70 70 70 A 122 LEU H A 119 CYS O 1.0 . 2.70 71 71 A 117 GLU H A 124 PHE O 1.0 . 2.70 72 72 A 124 PHE H A 117 GLU O 1.0 . 2.70 73 73 A 115 ARG H A 126 TYR O 1.0 . 2.70 74 74 A 126 TYR H A 115 ARG O 1.0 . 2.70 75 75 A 123 THR HA A 117 GLU O 1.0 . 2.70 76 76 A 116 GLU HA A 124 PHE O 1.0 . 2.70 77 77 A 125 TYR HA A 115 ARG O 1.0 . 2.70 78 78 A 85 ILE HA A 123 THR O 1.0 . 2.70 79 79 A 86 GLU H A 123 THR O 1.0 . 2.70 80 80 A 117 GLU O A 124 PHE N 1.0 . 3.93 81 81 A 125 TYR O A 84 PHE N 1.0 . 3.93 82 82 A 115 ARG O A 126 TYR N 1.0 . 3.93 83 83 A 84 PHE O A 125 TYR N 1.0 . 3.93 84 84 A 117 GLU O A 123 THR CA 1.0 . 3.93 85 85 A 122 LEU O A 119 CYS N 1.0 . 3.93 86 86 A 119 CYS O A 122 LEU N 1.0 . 3.93 87 87 A 84 PHE O A 124 PHE CA 1.0 . 3.93 88 88 A 123 THR O A 85 ILE CA 1.0 . 3.93 89 89 A 126 TYR O A 115 ARG N 1.0 . 3.93 90 90 A 124 PHE O A 117 GLU N 1.0 . 3.93 91 91 A 124 PHE O A 116 GLU CA 1.0 . 3.93 92 92 A 122 LEU O A 118 ARG CA 1.0 . 3.93 93 93 A 125 TYR O A 83 PHE CA 1.0 . 3.93 94 94 A 115 ARG O A 125 TYR CA 1.0 . 3.93 95 95 A 123 THR O A 86 GLU N 1.0 . 3.93 96 96 A 126 TYR HA A 82 LEU O 1.0 . 2.70 97 97 A 82 LEU O A 126 TYR CA 1.0 . 3.93 stop_ save_