data_nef_c17965_2ljw 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 THR middle . . 3 A 3 GLY middle . false 4 A 4 GLN middle . . 5 A 5 GLU middle . . 6 A 6 LEU middle . . 7 A 7 ARG middle . . 8 A 8 GLN middle . . 9 A 9 LEU middle . . 10 A 10 LEU middle . . 11 A 11 LEU middle . . 12 A 12 ASP middle . . 13 A 13 LYS middle . . 14 A 14 TRP middle . . 15 A 15 GLY middle . false 16 A 16 TYR middle . . 17 A 17 SER middle . . 18 A 18 TYR middle . . 19 A 19 ASP middle . . 20 A 20 VAL middle . . 21 A 21 GLN middle . . 22 A 22 PHE middle . . 23 A 23 ARG middle . . 24 A 24 ARG middle . . 25 A 25 THR middle . . 26 A 26 GLN middle . . 27 A 27 GLY middle . false 28 A 28 LYS middle . . 29 A 29 ILE middle . . 30 A 30 PHE middle . . 31 A 31 LEU middle . . 32 A 32 GLN middle . . 33 A 33 VAL middle . . 34 A 34 MET middle . . 35 A 35 TRP middle . . 36 A 36 LYS middle . . 37 A 37 TYR middle . . 38 A 38 LEU middle . . 39 A 39 GLU middle . . 40 A 40 GLN middle . . 41 A 41 ALA middle . . 42 A 42 SER middle . . 43 A 43 PHE middle . . 44 A 44 PRO middle . false 45 A 45 MET middle . . 46 A 46 ASN middle . . 47 A 47 GLU middle . . 48 A 48 THR middle . . 49 A 49 GLU middle . . 50 A 50 TYR middle . . 51 A 51 GLN middle . . 52 A 52 GLU middle . . 53 A 53 HIS middle . . 54 A 54 LEU middle . . 55 A 55 ASP middle . . 56 A 56 SER middle . . 57 A 57 VAL middle . . 58 A 58 ALA middle . . 59 A 59 ASN middle . . 60 A 60 TYR middle . . 61 A 61 LEU middle . . 62 A 62 HIS middle . . 63 A 63 ALA middle . . 64 A 64 LEU middle . . 65 A 65 GLY middle . false 66 A 66 GLY middle . false 67 A 67 ALA middle . . 68 A 68 VAL middle . . 69 A 69 GLN middle . . 70 A 70 VAL middle . . 71 A 71 LYS middle . . 72 A 72 THR middle . . 73 A 73 PHE middle . . 74 A 74 ILE middle . . 75 A 75 THR middle . . 76 A 76 GLN middle . . 77 A 77 THR middle . . 78 A 78 LYS middle . . 79 A 79 GLU middle . . 80 A 80 ARG middle . . 81 A 81 PRO middle . false 82 A 82 ARG middle . . 83 A 83 LEU middle . . 84 A 84 GLY middle . false 85 A 85 LYS middle . . 86 A 86 ALA middle . . 87 A 87 VAL middle . . 88 A 88 SER middle . . 89 A 89 ILE middle . . 90 A 90 PRO middle . false 91 A 91 LEU middle . . 92 A 92 ASP middle . . 93 A 93 LEU middle . . 94 A 94 GLY middle . false 95 A 95 GLU middle . . 96 A 96 ARG middle . . 97 A 97 ALA middle . . 98 A 98 SER middle . . 99 A 99 GLU middle . . 100 A 100 TRP middle . . 101 A 101 ILE middle . . 102 A 102 ILE middle . . 103 A 103 LEU middle . . 104 A 104 GLU middle . . 105 A 105 HIS middle . . 106 A 106 HIS middle . . 107 A 107 HIS middle . . 108 A 108 HIS middle . . 109 A 109 HIS middle . . 110 A 110 HIS 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 1 MET HA H 1 4.437 0.02 A 1 MET HBy H 1 2.270 0.02 A 1 MET HBx H 1 2.150 0.02 A 1 MET HE% H 1 2.053 0.02 A 1 MET HGy H 1 2.650 0.02 A 1 MET HGx H 1 2.509 0.02 A 1 MET C C 13 173.030 0.2 A 1 MET CA C 13 55.023 0.2 A 1 MET CB C 13 34.897 0.2 A 1 MET CE C 13 17.13 0.2 A 1 MET CG C 13 30.943 0.2 A 2 THR H H 1 8.868 0.02 A 2 THR HA H 1 4.792 0.02 A 2 THR HB H 1 4.902 0.02 A 2 THR HG2% H 1 1.331 0.02 A 2 THR C C 13 176.053 0.2 A 2 THR CA C 13 60.283 0.2 A 2 THR CB C 13 71.655 0.2 A 2 THR CG2 C 13 21.730 0.2 A 2 THR N N 15 118.580 0.2 A 3 GLY H H 1 9.164 0.02 A 3 GLY HAy H 1 4.495 0.02 A 3 GLY HAx H 1 3.579 0.02 A 3 GLY C C 13 177.035 0.2 A 3 GLY CA C 13 47.718 0.2 A 3 GLY N N 15 109.522 0.2 A 4 GLN H H 1 8.642 0.02 A 4 GLN HA H 1 4.113 0.02 A 4 GLN HBy H 1 2.158 0.02 A 4 GLN HBx H 1 2.061 0.02 A 4 GLN HE21 H 1 7.624 0.02 A 4 GLN HE22 H 1 6.911 0.02 A 4 GLN HGy H 1 2.523 0.02 A 4 GLN HGx H 1 2.511 0.02 A 4 GLN C C 13 178.609 0.2 A 4 GLN CA C 13 59.215 0.2 A 4 GLN CB C 13 28.231 0.2 A 4 GLN CD C 13 180.075 0.2 A 4 GLN CG C 13 33.782 0.2 A 4 GLN N N 15 122.601 0.2 A 4 GLN NE2 N 15 112.070 0.2 A 5 GLU H H 1 7.808 0.02 A 5 GLU HA H 1 4.039 0.02 A 5 GLU HBy H 1 2.323 0.02 A 5 GLU HBx H 1 2.001 0.02 A 5 GLU HGy H 1 2.437 0.02 A 5 GLU HGx H 1 2.308 0.02 A 5 GLU C C 13 179.673 0.2 A 5 GLU CA C 13 59.002 0.2 A 5 GLU CB C 13 30.078 0.2 A 5 GLU CG C 13 37.228 0.2 A 5 GLU N N 15 120.628 0.2 A 6 LEU H H 1 8.349 0.02 A 6 LEU HA H 1 4.274 0.02 A 6 LEU HBy H 1 2.198 0.02 A 6 LEU HBx H 1 1.602 0.02 A 6 LEU HD1% H 1 0.949 0.02 A 6 LEU HD2% H 1 0.919 0.02 A 6 LEU HG H 1 1.683 0.02 A 6 LEU C C 13 177.310 0.2 A 6 LEU CA C 13 58.338 0.2 A 6 LEU CB C 13 41.052 0.2 A 6 LEU CD1 C 13 21.820 0.2 A 6 LEU CD2 C 13 26.947 0.2 A 6 LEU CG C 13 27.585 0.2 A 6 LEU N N 15 122.501 0.2 A 7 ARG H H 1 8.280 0.02 A 7 ARG HA H 1 3.963 0.02 A 7 ARG HBy H 1 2.210 0.02 A 7 ARG HBx H 1 2.122 0.02 A 7 ARG HDy H 1 3.402 0.02 A 7 ARG HDx H 1 3.381 0.02 A 7 ARG HE H 1 7.385 0.02 A 7 ARG HGy H 1 1.915 0.02 A 7 ARG HGx H 1 1.883 0.02 A 7 ARG C C 13 178.016 0.2 A 7 ARG CA C 13 60.186 0.2 A 7 ARG CB C 13 30.248 0.2 A 7 ARG CD C 13 44.653 0.2 A 7 ARG CG C 13 26.632 0.2 A 7 ARG N N 15 119.082 0.2 A 7 ARG NE N 15 81.572 0.2 A 8 GLN H H 1 8.227 0.02 A 8 GLN HA H 1 3.877 0.02 A 8 GLN HBy H 1 2.264 0.02 A 8 GLN HBx H 1 2.171 0.02 A 8 GLN HE21 H 1 7.965 0.02 A 8 GLN HE22 H 1 6.940 0.02 A 8 GLN HGy H 1 2.556 0.02 A 8 GLN HGx H 1 2.431 0.02 A 8 GLN C C 13 177.452 0.2 A 8 GLN CA C 13 58.160 0.2 A 8 GLN CB C 13 28.529 0.2 A 8 GLN CD C 13 180.382 0.2 A 8 GLN CG C 13 33.663 0.2 A 8 GLN N N 15 116.991 0.2 A 8 GLN NE2 N 15 116.292 0.2 A 9 LEU H H 1 8.055 0.02 A 9 LEU HA H 1 4.247 0.02 A 9 LEU HBy H 1 2.013 0.02 A 9 LEU HBx H 1 1.907 0.02 A 9 LEU HD1% H 1 0.973 0.02 A 9 LEU HD2% H 1 0.964 0.02 A 9 LEU HG H 1 1.832 0.02 A 9 LEU C C 13 179.216 0.2 A 9 LEU CA C 13 58.170 0.2 A 9 LEU CB C 13 42.279 0.2 A 9 LEU CD1 C 13 24.884 0.2 A 9 LEU CD2 C 13 25.884 0.2 A 9 LEU CG C 13 27.077 0.2 A 9 LEU N N 15 119.965 0.2 A 10 LEU H H 1 7.796 0.02 A 10 LEU HA H 1 4.344 0.02 A 10 LEU HBy H 1 2.646 0.02 A 10 LEU HBx H 1 2.259 0.02 A 10 LEU HD1% H 1 1.310 0.02 A 10 LEU HD2% H 1 1.281 0.02 A 10 LEU HG H 1 2.436 0.02 A 10 LEU C C 13 179.724 0.2 A 10 LEU CA C 13 58.602 0.2 A 10 LEU CB C 13 42.197 0.2 A 10 LEU CD1 C 13 26.890 0.2 A 10 LEU CD2 C 13 24.176 0.2 A 10 LEU CG C 13 26.557 0.2 A 10 LEU N N 15 118.160 0.2 A 11 LEU H H 1 8.459 0.02 A 11 LEU HA H 1 3.716 0.02 A 11 LEU HBy H 1 1.885 0.02 A 11 LEU HBx H 1 1.342 0.02 A 11 LEU HD1% H 1 0.773 0.02 A 11 LEU HD2% H 1 0.614 0.02 A 11 LEU HG H 1 1.629 0.02 A 11 LEU C C 13 180.675 0.2 A 11 LEU CA C 13 58.154 0.2 A 11 LEU CB C 13 42.510 0.2 A 11 LEU CD1 C 13 25.670 0.2 A 11 LEU CD2 C 13 22.674 0.2 A 11 LEU CG C 13 26.851 0.2 A 11 LEU N N 15 120.064 0.2 A 12 ASP H H 1 9.194 0.02 A 12 ASP HA H 1 4.278 0.02 A 12 ASP HBy H 1 2.855 0.02 A 12 ASP HBx H 1 2.620 0.02 A 12 ASP C C 13 177.802 0.2 A 12 ASP CA C 13 56.997 0.2 A 12 ASP CB C 13 40.189 0.2 A 12 ASP N N 15 120.789 0.2 A 13 LYS H H 1 7.918 0.02 A 13 LYS HA H 1 4.072 0.02 A 13 LYS HBy H 1 1.340 0.02 A 13 LYS HBx H 1 1.332 0.02 A 13 LYS HDy H 1 1.557 0.02 A 13 LYS HDx H 1 1.025 0.02 A 13 LYS HEy H 1 2.846 0.02 A 13 LYS HEx H 1 2.739 0.02 A 13 LYS HGy H 1 -0.373 0.02 A 13 LYS HGx H 1 -0.737 0.02 A 13 LYS C C 13 178.050 0.2 A 13 LYS CA C 13 57.219 0.2 A 13 LYS CB C 13 32.924 0.2 A 13 LYS CD C 13 28.195 0.2 A 13 LYS CE C 13 43.133 0.2 A 13 LYS CG C 13 21.956 0.2 A 13 LYS N N 15 118.390 0.2 A 14 TRP H H 1 8.456 0.02 A 14 TRP HA H 1 5.246 0.02 A 14 TRP HBy H 1 3.844 0.02 A 14 TRP HBx H 1 3.628 0.02 A 14 TRP HD1 H 1 7.550 0.02 A 14 TRP HE1 H 1 10.679 0.02 A 14 TRP HE3 H 1 7.946 0.02 A 14 TRP HH2 H 1 7.029 0.02 A 14 TRP HZ2 H 1 7.679 0.02 A 14 TRP HZ3 H 1 7.171 0.02 A 14 TRP C C 13 177.473 0.2 A 14 TRP CA C 13 59.186 0.2 A 14 TRP CB C 13 33.422 0.2 A 14 TRP CD1 C 13 126.471 0.2 A 14 TRP CE3 C 13 120.113 0.2 A 14 TRP CH2 C 13 122.697 0.2 A 14 TRP CZ2 C 13 114.771 0.2 A 14 TRP CZ3 C 13 121.894 0.2 A 14 TRP N N 15 114.310 0.2 A 14 TRP NE1 N 15 131.344 0.2 A 15 GLY H H 1 8.361 0.02 A 15 GLY HAy H 1 3.939 0.02 A 15 GLY HAx H 1 3.802 0.02 A 15 GLY C C 13 171.990 0.2 A 15 GLY CA C 13 45.603 0.2 A 15 GLY N N 15 108.454 0.2 A 16 TYR H H 1 6.787 0.02 A 16 TYR HA H 1 4.438 0.02 A 16 TYR HBy H 1 1.925 0.02 A 16 TYR HBx H 1 0.965 0.02 A 16 TYR HDx H 1 6.499 0.02 A 16 TYR HDy H 1 6.499 0.02 A 16 TYR HEx H 1 6.603 0.02 A 16 TYR HEy H 1 6.603 0.02 A 16 TYR C C 13 173.689 0.2 A 16 TYR CA C 13 56.037 0.2 A 16 TYR CB C 13 42.114 0.2 A 16 TYR CDx C 13 133.545 0.2 A 16 TYR CDy C 13 133.545 0.2 A 16 TYR CEx C 13 116.774 0.2 A 16 TYR CEy C 13 116.774 0.2 A 16 TYR N N 15 115.220 0.2 A 17 SER H H 1 10.079 0.02 A 17 SER HA H 1 4.517 0.02 A 17 SER HBy H 1 3.954 0.02 A 17 SER HBx H 1 3.759 0.02 A 17 SER C C 13 175.108 0.2 A 17 SER CA C 13 55.846 0.2 A 17 SER CB C 13 60.534 0.2 A 17 SER N N 15 119.688 0.2 A 18 TYR H H 1 6.788 0.02 A 18 TYR HA H 1 4.738 0.02 A 18 TYR HBy H 1 3.834 0.02 A 18 TYR HBx H 1 2.409 0.02 A 18 TYR HDx H 1 7.104 0.02 A 18 TYR HDy H 1 7.104 0.02 A 18 TYR HEx H 1 6.581 0.02 A 18 TYR HEy H 1 6.581 0.02 A 18 TYR C C 13 177.658 0.2 A 18 TYR CA C 13 59.027 0.2 A 18 TYR CB C 13 40.840 0.2 A 18 TYR CDx C 13 134.245 0.2 A 18 TYR CDy C 13 134.245 0.2 A 18 TYR CEx C 13 117.204 0.2 A 18 TYR CEy C 13 117.204 0.2 A 18 TYR N N 15 119.931 0.2 A 19 ASP H H 1 8.431 0.02 A 19 ASP HA H 1 5.237 0.02 A 19 ASP HBy H 1 2.764 0.02 A 19 ASP HBx H 1 2.491 0.02 A 19 ASP C C 13 175.276 0.2 A 19 ASP CA C 13 54.264 0.2 A 19 ASP CB C 13 41.665 0.2 A 19 ASP N N 15 118.783 0.2 A 20 VAL H H 1 8.149 0.02 A 20 VAL HA H 1 5.460 0.02 A 20 VAL HB H 1 1.780 0.02 A 20 VAL HG1% H 1 0.939 0.02 A 20 VAL HG2% H 1 0.888 0.02 A 20 VAL C C 13 174.703 0.2 A 20 VAL CA C 13 58.815 0.2 A 20 VAL CB C 13 35.563 0.2 A 20 VAL CG1 C 13 23.074 0.2 A 20 VAL CG2 C 13 20.910 0.2 A 20 VAL N N 15 116.951 0.2 A 21 GLN H H 1 8.892 0.02 A 21 GLN HA H 1 4.839 0.02 A 21 GLN HBy H 1 2.314 0.02 A 21 GLN HBx H 1 1.742 0.02 A 21 GLN HE21 H 1 8.128 0.02 A 21 GLN HE22 H 1 6.685 0.02 A 21 GLN HGy H 1 2.314 0.02 A 21 GLN HGx H 1 2.232 0.02 A 21 GLN C C 13 175.107 0.2 A 21 GLN CA C 13 53.852 0.2 A 21 GLN CB C 13 33.196 0.2 A 21 GLN CD C 13 180.046 0.2 A 21 GLN CG C 13 32.782 0.2 A 21 GLN N N 15 120.143 0.2 A 21 GLN NE2 N 15 113.115 0.2 A 22 PHE H H 1 9.205 0.02 A 22 PHE HA H 1 5.384 0.02 A 22 PHE HBy H 1 2.950 0.02 A 22 PHE HBx H 1 2.932 0.02 A 22 PHE HDx H 1 7.271 0.02 A 22 PHE HDy H 1 7.271 0.02 A 22 PHE HEx H 1 7.217 0.02 A 22 PHE HEy H 1 7.217 0.02 A 22 PHE HZ H 1 7.250 0.02 A 22 PHE C C 13 176.191 0.2 A 22 PHE CA C 13 58.758 0.2 A 22 PHE CB C 13 41.536 0.2 A 22 PHE CDx C 13 132.162 0.2 A 22 PHE CDy C 13 132.162 0.2 A 22 PHE CEx C 13 131.21 0.2 A 22 PHE CEy C 13 131.21 0.2 A 22 PHE CZ C 13 129.12 0.2 A 22 PHE N N 15 120.890 0.2 A 23 ARG H H 1 9.237 0.02 A 23 ARG HA H 1 4.721 0.02 A 23 ARG HBy H 1 1.635 0.02 A 23 ARG HBx H 1 1.600 0.02 A 23 ARG HDy H 1 3.089 0.02 A 23 ARG HDx H 1 3.083 0.02 A 23 ARG HE H 1 6.909 0.02 A 23 ARG HGy H 1 1.575 0.02 A 23 ARG HGx H 1 1.367 0.02 A 23 ARG C C 13 173.867 0.2 A 23 ARG CA C 13 55.042 0.2 A 23 ARG CB C 13 34.197 0.2 A 23 ARG CD C 13 43.242 0.2 A 23 ARG CG C 13 27.439 0.2 A 23 ARG N N 15 121.706 0.2 A 23 ARG NE N 15 83.973 0.2 A 24 ARG H H 1 8.876 0.02 A 24 ARG HA H 1 5.460 0.02 A 24 ARG HBy H 1 1.857 0.02 A 24 ARG HBx H 1 1.565 0.02 A 24 ARG HDx H 1 3.029 0.02 A 24 ARG HDy H 1 3.029 0.02 A 24 ARG HE H 1 7.318 0.02 A 24 ARG HGx H 1 1.467 0.02 A 24 ARG HGy H 1 1.467 0.02 A 24 ARG C C 13 175.994 0.2 A 24 ARG CA C 13 54.847 0.2 A 24 ARG CB C 13 32.165 0.2 A 24 ARG CD C 13 43.529 0.2 A 24 ARG CG C 13 27.750 0.2 A 24 ARG N N 15 126.191 0.2 A 24 ARG NE N 15 84.672 0.2 A 25 THR H H 1 8.810 0.02 A 25 THR HA H 1 4.664 0.02 A 25 THR HB H 1 4.167 0.02 A 25 THR HG2% H 1 1.203 0.02 A 25 THR C C 13 173.708 0.2 A 25 THR CA C 13 61.085 0.2 A 25 THR CB C 13 70.289 0.2 A 25 THR CG2 C 13 20.869 0.2 A 25 THR N N 15 120.040 0.2 A 26 GLN H H 1 9.322 0.02 A 26 GLN HA H 1 4.013 0.02 A 26 GLN HBy H 1 2.366 0.02 A 26 GLN HBx H 1 2.209 0.02 A 26 GLN HE21 H 1 7.610 0.02 A 26 GLN HE22 H 1 6.942 0.02 A 26 GLN HGx H 1 2.480 0.02 A 26 GLN HGy H 1 2.480 0.02 A 26 GLN C C 13 176.038 0.2 A 26 GLN CA C 13 57.211 0.2 A 26 GLN CB C 13 27.231 0.2 A 26 GLN CD C 13 181.058 0.2 A 26 GLN CG C 13 34.305 0.2 A 26 GLN N N 15 124.902 0.2 A 26 GLN NE2 N 15 112.422 0.2 A 27 GLY H H 1 8.700 0.02 A 27 GLY HAy H 1 4.142 0.02 A 27 GLY HAx H 1 3.741 0.02 A 27 GLY C C 13 173.758 0.2 A 27 GLY CA C 13 45.736 0.2 A 27 GLY N N 15 106.053 0.2 A 28 LYS H H 1 8.028 0.02 A 28 LYS HA H 1 4.637 0.02 A 28 LYS HBy H 1 1.886 0.02 A 28 LYS HBx H 1 1.702 0.02 A 28 LYS HDx H 1 1.716 0.02 A 28 LYS HDy H 1 1.716 0.02 A 28 LYS HEx H 1 3.038 0.02 A 28 LYS HEy H 1 3.038 0.02 A 28 LYS HGy H 1 1.437 0.02 A 28 LYS HGx H 1 1.347 0.02 A 28 LYS C C 13 174.685 0.2 A 28 LYS CA C 13 54.918 0.2 A 28 LYS CB C 13 35.575 0.2 A 28 LYS CD C 13 29.071 0.2 A 28 LYS CE C 13 42.270 0.2 A 28 LYS CG C 13 24.930 0.2 A 28 LYS N N 15 121.568 0.2 A 29 ILE H H 1 8.684 0.02 A 29 ILE HA H 1 4.912 0.02 A 29 ILE HB H 1 1.669 0.02 A 29 ILE HD1% H 1 0.742 0.02 A 29 ILE HG1y H 1 1.564 0.02 A 29 ILE HG1x H 1 1.028 0.02 A 29 ILE HG2% H 1 0.888 0.02 A 29 ILE C C 13 173.610 0.2 A 29 ILE CA C 13 60.253 0.2 A 29 ILE CB C 13 39.993 0.2 A 29 ILE CD1 C 13 13.456 0.2 A 29 ILE CG1 C 13 28.495 0.2 A 29 ILE CG2 C 13 17.839 0.2 A 29 ILE N N 15 121.320 0.2 A 30 PHE H H 1 9.107 0.02 A 30 PHE HA H 1 5.289 0.02 A 30 PHE HBy H 1 2.719 0.02 A 30 PHE HBx H 1 2.692 0.02 A 30 PHE HDx H 1 6.931 0.02 A 30 PHE HDy H 1 6.931 0.02 A 30 PHE HEx H 1 7.328 0.02 A 30 PHE HEy H 1 7.331 0.02 A 30 PHE HZ H 1 7.323 0.02 A 30 PHE C C 13 175.779 0.2 A 30 PHE CA C 13 55.443 0.2 A 30 PHE CB C 13 42.605 0.2 A 30 PHE CDx C 13 131.959 0.2 A 30 PHE CDy C 13 131.959 0.2 A 30 PHE CEx C 13 131.603 0.2 A 30 PHE CEy C 13 131.624 0.2 A 30 PHE CZ C 13 129.897 0.2 A 30 PHE N N 15 123.159 0.2 A 31 LEU H H 1 9.024 0.02 A 31 LEU HA H 1 4.666 0.02 A 31 LEU HBy H 1 1.793 0.02 A 31 LEU HBx H 1 1.129 0.02 A 31 LEU HD1% H 1 0.179 0.02 A 31 LEU HD2% H 1 0.657 0.02 A 31 LEU HG H 1 1.203 0.02 A 31 LEU C C 13 174.850 0.2 A 31 LEU CA C 13 54.066 0.2 A 31 LEU CB C 13 44.062 0.2 A 31 LEU CD1 C 13 23.731 0.2 A 31 LEU CD2 C 13 26.107 0.2 A 31 LEU CG C 13 27.483 0.2 A 31 LEU N N 15 123.137 0.2 A 32 GLN H H 1 9.362 0.02 A 32 GLN HA H 1 5.357 0.02 A 32 GLN HBy H 1 2.065 0.02 A 32 GLN HBx H 1 1.654 0.02 A 32 GLN HE21 H 1 6.871 0.02 A 32 GLN HE22 H 1 6.936 0.02 A 32 GLN HGy H 1 2.179 0.02 A 32 GLN HGx H 1 2.018 0.02 A 32 GLN C C 13 175.022 0.2 A 32 GLN CA C 13 54.189 0.2 A 32 GLN CB C 13 31.762 0.2 A 32 GLN CD C 13 179.505 0.2 A 32 GLN CG C 13 34.919 0.2 A 32 GLN N N 15 124.830 0.2 A 32 GLN NE2 N 15 110.245 0.2 A 33 VAL H H 1 9.343 0.02 A 33 VAL HA H 1 4.332 0.02 A 33 VAL HB H 1 1.897 0.02 A 33 VAL HG1% H 1 0.858 0.02 A 33 VAL HG2% H 1 0.995 0.02 A 33 VAL C C 13 175.691 0.2 A 33 VAL CA C 13 62.462 0.2 A 33 VAL CB C 13 31.455 0.2 A 33 VAL CG1 C 13 22.562 0.2 A 33 VAL CG2 C 13 19.403 0.2 A 33 VAL N N 15 124.724 0.2 A 34 MET H H 1 8.434 0.02 A 34 MET HA H 1 4.351 0.02 A 34 MET HBy H 1 1.943 0.02 A 34 MET HBx H 1 1.878 0.02 A 34 MET HE% H 1 1.492 0.02 A 34 MET HGy H 1 2.480 0.02 A 34 MET HGx H 1 2.158 0.02 A 34 MET C C 13 172.280 0.2 A 34 MET CA C 13 52.878 0.2 A 34 MET CB C 13 31.564 0.2 A 34 MET CE C 13 15.690 0.2 A 34 MET CG C 13 31.160 0.2 A 34 MET N N 15 123.392 0.2 A 35 TRP H H 1 6.072 0.02 A 35 TRP HA H 1 4.563 0.02 A 35 TRP HBy H 1 3.318 0.02 A 35 TRP HBx H 1 2.850 0.02 A 35 TRP HD1 H 1 7.372 0.02 A 35 TRP HE1 H 1 10.959 0.02 A 35 TRP HE3 H 1 7.406 0.02 A 35 TRP HH2 H 1 7.375 0.02 A 35 TRP HZ2 H 1 7.685 0.02 A 35 TRP HZ3 H 1 7.219 0.02 A 35 TRP C C 13 176.299 0.2 A 35 TRP CA C 13 58.380 0.2 A 35 TRP CB C 13 27.746 0.2 A 35 TRP CD1 C 13 128.056 0.2 A 35 TRP CE3 C 13 120.398 0.2 A 35 TRP CH2 C 13 125.449 0.2 A 35 TRP CZ2 C 13 115.461 0.2 A 35 TRP CZ3 C 13 123.581 0.2 A 35 TRP N N 15 108.592 0.2 A 35 TRP NE1 N 15 133.333 0.2 A 36 LYS H H 1 6.647 0.02 A 36 LYS HA H 1 4.815 0.02 A 36 LYS HBy H 1 1.917 0.02 A 36 LYS HBx H 1 1.675 0.02 A 36 LYS HDx H 1 1.555 0.02 A 36 LYS HDy H 1 1.555 0.02 A 36 LYS HEy H 1 2.951 0.02 A 36 LYS HEx H 1 2.881 0.02 A 36 LYS HGy H 1 1.365 0.02 A 36 LYS HGx H 1 1.078 0.02 A 36 LYS C C 13 175.230 0.2 A 36 LYS CA C 13 56.008 0.2 A 36 LYS CB C 13 33.690 0.2 A 36 LYS CD C 13 29.314 0.2 A 36 LYS CE C 13 42.041 0.2 A 36 LYS CG C 13 25.519 0.2 A 36 LYS N N 15 122.576 0.2 A 37 TYR H H 1 7.767 0.02 A 37 TYR HA H 1 4.768 0.02 A 37 TYR HBy H 1 2.355 0.02 A 37 TYR HBx H 1 2.332 0.02 A 37 TYR HDx H 1 7.099 0.02 A 37 TYR HDy H 1 7.099 0.02 A 37 TYR HEx H 1 6.416 0.02 A 37 TYR HEy H 1 6.416 0.02 A 37 TYR C C 13 174.262 0.2 A 37 TYR CA C 13 54.273 0.2 A 37 TYR CB C 13 40.779 0.2 A 37 TYR CDx C 13 135.036 0.2 A 37 TYR CDy C 13 135.036 0.2 A 37 TYR CEx C 13 117.799 0.2 A 37 TYR CEy C 13 117.799 0.2 A 37 TYR N N 15 116.891 0.2 A 38 LEU H H 1 7.054 0.02 A 38 LEU HA H 1 2.674 0.02 A 38 LEU HBy H 1 1.056 0.02 A 38 LEU HBx H 1 0.106 0.02 A 38 LEU HD1% H 1 0.656 0.02 A 38 LEU HD2% H 1 0.654 0.02 A 38 LEU HG H 1 1.313 0.02 A 38 LEU C C 13 175.709 0.2 A 38 LEU CA C 13 56.532 0.2 A 38 LEU CB C 13 42.941 0.2 A 38 LEU CD1 C 13 23.747 0.2 A 38 LEU CD2 C 13 26.362 0.2 A 38 LEU CG C 13 26.494 0.2 A 38 LEU N N 15 120.744 0.2 A 39 GLU H H 1 8.915 0.02 A 39 GLU HA H 1 3.998 0.02 A 39 GLU HBy H 1 2.341 0.02 A 39 GLU HBx H 1 2.230 0.02 A 39 GLU HGy H 1 2.802 0.02 A 39 GLU HGx H 1 2.224 0.02 A 39 GLU C C 13 177.130 0.2 A 39 GLU CA C 13 58.919 0.2 A 39 GLU CB C 13 27.127 0.2 A 39 GLU CG C 13 37.052 0.2 A 39 GLU N N 15 111.427 0.2 A 40 GLN H H 1 7.770 0.02 A 40 GLN HA H 1 4.048 0.02 A 40 GLN HBy H 1 1.822 0.02 A 40 GLN HBx H 1 1.729 0.02 A 40 GLN HE21 H 1 7.387 0.02 A 40 GLN HE22 H 1 6.728 0.02 A 40 GLN HGy H 1 1.824 0.02 A 40 GLN HGx H 1 1.023 0.02 A 40 GLN C C 13 176.971 0.2 A 40 GLN CA C 13 56.239 0.2 A 40 GLN CB C 13 30.305 0.2 A 40 GLN CG C 13 34.354 0.2 A 40 GLN N N 15 121.295 0.2 A 40 GLN NE2 N 15 112.397 0.2 A 41 ALA H H 1 8.721 0.02 A 41 ALA HA H 1 4.197 0.02 A 41 ALA HB% H 1 1.493 0.02 A 41 ALA C C 13 178.615 0.2 A 41 ALA CA C 13 54.521 0.2 A 41 ALA CB C 13 18.294 0.2 A 41 ALA N N 15 126.465 0.2 A 42 SER H H 1 7.918 0.02 A 42 SER HA H 1 4.344 0.02 A 42 SER HBy H 1 4.067 0.02 A 42 SER HBx H 1 3.860 0.02 A 42 SER C C 13 174.383 0.2 A 42 SER CA C 13 57.569 0.2 A 42 SER CB C 13 63.341 0.2 A 42 SER N N 15 108.635 0.2 A 43 PHE H H 1 7.940 0.02 A 43 PHE HA H 1 4.639 0.02 A 43 PHE HBy H 1 3.385 0.02 A 43 PHE HBx H 1 3.090 0.02 A 43 PHE HDx H 1 7.532 0.02 A 43 PHE HDy H 1 7.532 0.02 A 43 PHE HEx H 1 7.146 0.02 A 43 PHE HEy H 1 7.146 0.02 A 43 PHE HZ H 1 7.192 0.02 A 43 PHE C C 13 176.825 0.2 A 43 PHE CA C 13 57.348 0.2 A 43 PHE CB C 13 40.182 0.2 A 43 PHE CDx C 13 133.371 0.2 A 43 PHE CDy C 13 133.371 0.2 A 43 PHE CEx C 13 130.641 0.2 A 43 PHE CEy C 13 130.641 0.2 A 43 PHE CZ C 13 129.034 0.2 A 43 PHE N N 15 127.664 0.2 A 44 PRO HA H 1 4.413 0.02 A 44 PRO HBy H 1 2.015 0.02 A 44 PRO HBx H 1 1.953 0.02 A 44 PRO HDy H 1 3.443 0.02 A 44 PRO HDx H 1 2.254 0.02 A 44 PRO HGy H 1 1.745 0.02 A 44 PRO HGx H 1 1.281 0.02 A 44 PRO C C 13 175.749 0.2 A 44 PRO CA C 13 64.669 0.2 A 44 PRO CB C 13 31.584 0.2 A 44 PRO CD C 13 50.508 0.2 A 44 PRO CG C 13 26.957 0.2 A 45 MET H H 1 6.706 0.02 A 45 MET HA H 1 4.812 0.02 A 45 MET HBy H 1 2.397 0.02 A 45 MET HBx H 1 1.998 0.02 A 45 MET HE% H 1 1.919 0.02 A 45 MET HGy H 1 2.494 0.02 A 45 MET HGx H 1 2.150 0.02 A 45 MET C C 13 174.999 0.2 A 45 MET CA C 13 54.675 0.2 A 45 MET CB C 13 37.771 0.2 A 45 MET CE C 13 18.11 0.2 A 45 MET CG C 13 32.864 0.2 A 45 MET N N 15 116.826 0.2 A 46 ASN H H 1 8.578 0.02 A 46 ASN HA H 1 4.911 0.02 A 46 ASN HBy H 1 3.427 0.02 A 46 ASN HBx H 1 2.986 0.02 A 46 ASN HD21 H 1 7.587 0.02 A 46 ASN HD22 H 1 6.981 0.02 A 46 ASN C C 13 175.481 0.2 A 46 ASN CA C 13 51.386 0.2 A 46 ASN CB C 13 38.736 0.2 A 46 ASN CG C 13 175.892 0.2 A 46 ASN N N 15 117.943 0.2 A 46 ASN ND2 N 15 111.600 0.2 A 47 GLU H H 1 8.861 0.02 A 47 GLU HA H 1 4.088 0.02 A 47 GLU HBy H 1 2.233 0.02 A 47 GLU HBx H 1 2.204 0.02 A 47 GLU HGy H 1 2.500 0.02 A 47 GLU HGx H 1 2.347 0.02 A 47 GLU C C 13 177.799 0.2 A 47 GLU CA C 13 60.742 0.2 A 47 GLU CB C 13 29.326 0.2 A 47 GLU CG C 13 35.800 0.2 A 47 GLU N N 15 118.568 0.2 A 48 THR H H 1 8.083 0.02 A 48 THR HA H 1 4.113 0.02 A 48 THR HB H 1 4.294 0.02 A 48 THR HG2% H 1 1.333 0.02 A 48 THR CA C 13 66.800 0.2 A 48 THR CB C 13 68.699 0.2 A 48 THR CG2 C 13 21.945 0.2 A 48 THR N N 15 115.923 0.2 A 49 GLU H H 1 8.648 0.02 A 49 GLU HA H 1 4.153 0.02 A 49 GLU HBy H 1 2.346 0.02 A 49 GLU HBx H 1 2.050 0.02 A 49 GLU HGy H 1 2.632 0.02 A 49 GLU HGx H 1 2.403 0.02 A 49 GLU C C 13 179.714 0.2 A 49 GLU CA C 13 59.066 0.2 A 49 GLU CB C 13 30.020 0.2 A 49 GLU CG C 13 36.160 0.2 A 49 GLU N N 15 122.600 0.2 A 50 TYR H H 1 9.082 0.02 A 50 TYR HA H 1 4.520 0.02 A 50 TYR HBy H 1 3.286 0.02 A 50 TYR HBx H 1 3.179 0.02 A 50 TYR HDx H 1 7.150 0.02 A 50 TYR HDy H 1 7.150 0.02 A 50 TYR HEx H 1 6.569 0.02 A 50 TYR HEy H 1 6.569 0.02 A 50 TYR C C 13 177.078 0.2 A 50 TYR CA C 13 62.141 0.2 A 50 TYR CB C 13 39.681 0.2 A 50 TYR N N 15 122.356 0.2 A 51 GLN H H 1 8.937 0.02 A 51 GLN HA H 1 3.830 0.02 A 51 GLN HBy H 1 2.443 0.02 A 51 GLN HBx H 1 2.318 0.02 A 51 GLN HE21 H 1 7.760 0.02 A 51 GLN HE22 H 1 6.000 0.02 A 51 GLN HGy H 1 2.606 0.02 A 51 GLN HGx H 1 2.504 0.02 A 51 GLN C C 13 178.739 0.2 A 51 GLN CA C 13 58.943 0.2 A 51 GLN CB C 13 28.581 0.2 A 51 GLN CD C 13 179.800 0.2 A 51 GLN CG C 13 34.233 0.2 A 51 GLN N N 15 120.083 0.2 A 51 GLN NE2 N 15 112.049 0.2 A 52 GLU H H 1 8.480 0.02 A 52 GLU HA H 1 4.227 0.02 A 52 GLU HBy H 1 2.339 0.02 A 52 GLU HBx H 1 2.229 0.02 A 52 GLU HGy H 1 2.710 0.02 A 52 GLU HGx H 1 2.482 0.02 A 52 GLU C C 13 179.687 0.2 A 52 GLU CA C 13 59.640 0.2 A 52 GLU CB C 13 28.895 0.2 A 52 GLU CG C 13 35.966 0.2 A 52 GLU N N 15 119.662 0.2 A 53 HIS H H 1 8.369 0.02 A 53 HIS HA H 1 4.739 0.02 A 53 HIS HBy H 1 3.684 0.02 A 53 HIS HBx H 1 3.431 0.02 A 53 HIS HD2 H 1 7.308 0.02 A 53 HIS HE1 H 1 8.797 0.02 A 53 HIS C C 13 177.012 0.2 A 53 HIS CA C 13 58.679 0.2 A 53 HIS CB C 13 27.843 0.2 A 53 HIS CD2 C 13 119.98 0.2 A 53 HIS CE1 C 13 137.23 0.2 A 53 HIS N N 15 119.858 0.2 A 54 LEU H H 1 8.592 0.02 A 54 LEU HA H 1 3.667 0.02 A 54 LEU HBy H 1 1.785 0.02 A 54 LEU HBx H 1 1.440 0.02 A 54 LEU HD1% H 1 0.776 0.02 A 54 LEU HD2% H 1 0.711 0.02 A 54 LEU HG H 1 1.299 0.02 A 54 LEU C C 13 179.347 0.2 A 54 LEU CA C 13 58.465 0.2 A 54 LEU CB C 13 40.804 0.2 A 54 LEU CD1 C 13 25.691 0.2 A 54 LEU CD2 C 13 22.274 0.2 A 54 LEU CG C 13 28.215 0.2 A 54 LEU N N 15 121.305 0.2 A 55 ASP H H 1 8.806 0.02 A 55 ASP HA H 1 4.374 0.02 A 55 ASP HBy H 1 3.057 0.02 A 55 ASP HBx H 1 2.775 0.02 A 55 ASP C C 13 178.862 0.2 A 55 ASP CA C 13 57.637 0.2 A 55 ASP CB C 13 39.758 0.2 A 55 ASP N N 15 120.419 0.2 A 56 SER H H 1 8.044 0.02 A 56 SER HA H 1 4.389 0.02 A 56 SER HBy H 1 4.233 0.02 A 56 SER HBx H 1 4.219 0.02 A 56 SER C C 13 177.564 0.2 A 56 SER CA C 13 61.887 0.2 A 56 SER CB C 13 62.909 0.2 A 56 SER N N 15 116.725 0.2 A 57 VAL H H 1 8.400 0.02 A 57 VAL HA H 1 3.890 0.02 A 57 VAL HB H 1 2.044 0.02 A 57 VAL HG1% H 1 0.699 0.02 A 57 VAL HG2% H 1 0.659 0.02 A 57 VAL C C 13 177.976 0.2 A 57 VAL CA C 13 66.954 0.2 A 57 VAL CB C 13 31.704 0.2 A 57 VAL CG1 C 13 21.227 0.2 A 57 VAL CG2 C 13 21.996 0.2 A 57 VAL N N 15 123.164 0.2 A 58 ALA H H 1 8.979 0.02 A 58 ALA HA H 1 3.986 0.02 A 58 ALA HB% H 1 1.477 0.02 A 58 ALA C C 13 180.095 0.2 A 58 ALA CA C 13 55.828 0.2 A 58 ALA CB C 13 17.472 0.2 A 58 ALA N N 15 121.989 0.2 A 59 ASN H H 1 8.568 0.02 A 59 ASN HA H 1 4.700 0.02 A 59 ASN HBy H 1 3.117 0.02 A 59 ASN HBx H 1 2.997 0.02 A 59 ASN HD21 H 1 7.700 0.02 A 59 ASN HD22 H 1 7.078 0.02 A 59 ASN C C 13 178.741 0.2 A 59 ASN CA C 13 56.467 0.2 A 59 ASN CB C 13 38.161 0.2 A 59 ASN CG C 13 176.111 0.2 A 59 ASN N N 15 118.398 0.2 A 59 ASN ND2 N 15 112.881 0.2 A 60 TYR H H 1 8.554 0.02 A 60 TYR HA H 1 4.465 0.02 A 60 TYR HBy H 1 3.357 0.02 A 60 TYR HBx H 1 3.003 0.02 A 60 TYR HDx H 1 6.816 0.02 A 60 TYR HDy H 1 6.816 0.02 A 60 TYR HEx H 1 6.463 0.02 A 60 TYR HEy H 1 6.463 0.02 A 60 TYR C C 13 178.217 0.2 A 60 TYR CA C 13 61.258 0.2 A 60 TYR CB C 13 38.094 0.2 A 60 TYR CDx C 13 132.599 0.2 A 60 TYR CDy C 13 132.599 0.2 A 60 TYR CEx C 13 117.926 0.2 A 60 TYR CEy C 13 117.926 0.2 A 60 TYR N N 15 123.743 0.2 A 61 LEU H H 1 8.968 0.02 A 61 LEU HA H 1 4.039 0.02 A 61 LEU HBy H 1 2.294 0.02 A 61 LEU HBx H 1 1.280 0.02 A 61 LEU HD1% H 1 0.917 0.02 A 61 LEU HD2% H 1 0.995 0.02 A 61 LEU HG H 1 2.245 0.02 A 61 LEU C C 13 179.730 0.2 A 61 LEU CA C 13 58.093 0.2 A 61 LEU CB C 13 42.195 0.2 A 61 LEU CD1 C 13 26.146 0.2 A 61 LEU CD2 C 13 23.835 0.2 A 61 LEU CG C 13 26.735 0.2 A 61 LEU N N 15 117.283 0.2 A 62 HIS H H 1 8.477 0.02 A 62 HIS HA H 1 4.599 0.02 A 62 HIS HBy H 1 3.632 0.02 A 62 HIS HBx H 1 3.539 0.02 A 62 HIS HD2 H 1 7.401 0.02 A 62 HIS C C 13 177.756 0.2 A 62 HIS CA C 13 59.190 0.2 A 62 HIS CB C 13 28.901 0.2 A 62 HIS CD2 C 13 120.56 0.2 A 62 HIS N N 15 118.187 0.2 A 63 ALA H H 1 8.108 0.02 A 63 ALA HA H 1 4.077 0.02 A 63 ALA HB% H 1 1.515 0.02 A 63 ALA C C 13 179.371 0.2 A 63 ALA CA C 13 55.013 0.2 A 63 ALA CB C 13 18.294 0.2 A 63 ALA N N 15 123.699 0.2 A 64 LEU H H 1 7.970 0.02 A 64 LEU HA H 1 4.166 0.02 A 64 LEU HBy H 1 1.564 0.02 A 64 LEU HBx H 1 1.546 0.02 A 64 LEU HD1% H 1 0.463 0.02 A 64 LEU HD2% H 1 0.605 0.02 A 64 LEU HG H 1 1.470 0.02 A 64 LEU C C 13 177.162 0.2 A 64 LEU CA C 13 54.937 0.2 A 64 LEU CB C 13 42.890 0.2 A 64 LEU CD1 C 13 25.670 0.2 A 64 LEU CD2 C 13 22.659 0.2 A 64 LEU CG C 13 26.516 0.2 A 64 LEU N N 15 114.631 0.2 A 65 GLY H H 1 7.700 0.02 A 65 GLY HAy H 1 4.171 0.02 A 65 GLY HAx H 1 4.110 0.02 A 65 GLY C C 13 176.309 0.2 A 65 GLY CA C 13 46.335 0.2 A 65 GLY N N 15 107.086 0.2 A 66 GLY H H 1 8.438 0.02 A 66 GLY HAy H 1 4.596 0.02 A 66 GLY HAx H 1 3.497 0.02 A 66 GLY C C 13 173.934 0.2 A 66 GLY CA C 13 45.651 0.2 A 66 GLY N N 15 104.046 0.2 A 67 ALA H H 1 8.258 0.02 A 67 ALA HA H 1 3.941 0.02 A 67 ALA HB% H 1 1.601 0.02 A 67 ALA C C 13 179.213 0.2 A 67 ALA CA C 13 56.635 0.2 A 67 ALA CB C 13 19.299 0.2 A 67 ALA N N 15 123.784 0.2 A 68 VAL H H 1 8.366 0.02 A 68 VAL HA H 1 3.748 0.02 A 68 VAL HB H 1 2.187 0.02 A 68 VAL HG1% H 1 1.021 0.02 A 68 VAL HG2% H 1 1.141 0.02 A 68 VAL C C 13 178.984 0.2 A 68 VAL CA C 13 66.800 0.2 A 68 VAL CB C 13 31.330 0.2 A 68 VAL CG1 C 13 21.109 0.2 A 68 VAL CG2 C 13 22.913 0.2 A 68 VAL N N 15 118.458 0.2 A 69 GLN H H 1 8.247 0.02 A 69 GLN HA H 1 4.208 0.02 A 69 GLN HBx H 1 2.223 0.02 A 69 GLN HBy H 1 2.223 0.02 A 69 GLN HE21 H 1 7.550 0.02 A 69 GLN HE22 H 1 7.375 0.02 A 69 GLN HGy H 1 2.605 0.02 A 69 GLN HGx H 1 2.547 0.02 A 69 GLN C C 13 179.208 0.2 A 69 GLN CA C 13 59.476 0.2 A 69 GLN CB C 13 28.856 0.2 A 69 GLN CD C 13 180.041 0.2 A 69 GLN CG C 13 34.336 0.2 A 69 GLN N N 15 121.578 0.2 A 69 GLN NE2 N 15 111.064 0.2 A 70 VAL H H 1 7.760 0.02 A 70 VAL HA H 1 3.735 0.02 A 70 VAL HB H 1 2.197 0.02 A 70 VAL HG1% H 1 0.830 0.02 A 70 VAL HG2% H 1 1.113 0.02 A 70 VAL C C 13 176.651 0.2 A 70 VAL CA C 13 67.193 0.2 A 70 VAL CB C 13 31.793 0.2 A 70 VAL CG1 C 13 21.005 0.2 A 70 VAL CG2 C 13 25.029 0.2 A 70 VAL N N 15 119.579 0.2 A 71 LYS H H 1 8.197 0.02 A 71 LYS HA H 1 3.936 0.02 A 71 LYS HBy H 1 2.077 0.02 A 71 LYS HBx H 1 1.880 0.02 A 71 LYS HDx H 1 1.752 0.02 A 71 LYS HDy H 1 1.752 0.02 A 71 LYS HEx H 1 2.980 0.02 A 71 LYS HEy H 1 2.980 0.02 A 71 LYS HGy H 1 1.531 0.02 A 71 LYS HGx H 1 1.455 0.02 A 71 LYS C C 13 179.441 0.2 A 71 LYS CA C 13 60.653 0.2 A 71 LYS CB C 13 32.581 0.2 A 71 LYS CD C 13 29.809 0.2 A 71 LYS CE C 13 42.047 0.2 A 71 LYS CG C 13 25.354 0.2 A 71 LYS N N 15 119.844 0.2 A 72 THR H H 1 8.899 0.02 A 72 THR HA H 1 3.899 0.02 A 72 THR HB H 1 4.287 0.02 A 72 THR HG2% H 1 1.283 0.02 A 72 THR C C 13 175.404 0.2 A 72 THR CA C 13 66.819 0.2 A 72 THR CB C 13 69.091 0.2 A 72 THR CG2 C 13 21.491 0.2 A 72 THR N N 15 116.885 0.2 A 73 PHE H H 1 8.241 0.02 A 73 PHE HA H 1 4.143 0.02 A 73 PHE HBy H 1 3.358 0.02 A 73 PHE HBx H 1 3.310 0.02 A 73 PHE HDx H 1 7.222 0.02 A 73 PHE HDy H 1 7.222 0.02 A 73 PHE HEx H 1 7.217 0.02 A 73 PHE HEy H 1 7.217 0.02 A 73 PHE HZ H 1 7.411 0.02 A 73 PHE C C 13 178.794 0.2 A 73 PHE CA C 13 61.893 0.2 A 73 PHE CB C 13 39.897 0.2 A 73 PHE CDx C 13 132.339 0.2 A 73 PHE CDy C 13 132.339 0.2 A 73 PHE CEx C 13 131.212 0.2 A 73 PHE CEy C 13 131.212 0.2 A 73 PHE CZ C 13 131.283 0.2 A 73 PHE N N 15 121.628 0.2 A 74 ILE H H 1 8.713 0.02 A 74 ILE HA H 1 3.616 0.02 A 74 ILE HB H 1 1.933 0.02 A 74 ILE HD1% H 1 0.881 0.02 A 74 ILE HG1y H 1 2.275 0.02 A 74 ILE HG1x H 1 1.205 0.02 A 74 ILE HG2% H 1 0.529 0.02 A 74 ILE C C 13 176.980 0.2 A 74 ILE CA C 13 66.113 0.2 A 74 ILE CB C 13 37.831 0.2 A 74 ILE CD1 C 13 13.346 0.2 A 74 ILE CG1 C 13 30.962 0.2 A 74 ILE CG2 C 13 16.561 0.2 A 74 ILE N N 15 117.876 0.2 A 75 THR H H 1 8.080 0.02 A 75 THR HA H 1 3.831 0.02 A 75 THR HB H 1 4.355 0.02 A 75 THR HG2% H 1 1.282 0.02 A 75 THR C C 13 176.844 0.2 A 75 THR CA C 13 67.170 0.2 A 75 THR CB C 13 69.021 0.2 A 75 THR CG2 C 13 21.235 0.2 A 75 THR N N 15 112.229 0.2 A 76 GLN H H 1 7.675 0.02 A 76 GLN HA H 1 4.248 0.02 A 76 GLN HBx H 1 2.056 0.02 A 76 GLN HBy H 1 2.056 0.02 A 76 GLN HE21 H 1 7.292 0.02 A 76 GLN HE22 H 1 6.826 0.02 A 76 GLN HGy H 1 2.613 0.02 A 76 GLN HGx H 1 2.438 0.02 A 76 GLN C C 13 177.925 0.2 A 76 GLN CA C 13 57.269 0.2 A 76 GLN CB C 13 29.678 0.2 A 76 GLN CD C 13 180.274 0.2 A 76 GLN CG C 13 33.829 0.2 A 76 GLN N N 15 117.197 0.2 A 76 GLN NE2 N 15 111.282 0.2 A 77 THR H H 1 7.947 0.02 A 77 THR HA H 1 4.018 0.02 A 77 THR HB H 1 3.830 0.02 A 77 THR HG2% H 1 1.597 0.02 A 77 THR C C 13 174.102 0.2 A 77 THR CA C 13 63.875 0.2 A 77 THR CB C 13 67.907 0.2 A 77 THR CG2 C 13 20.562 0.2 A 77 THR N N 15 115.376 0.2 A 78 LYS H H 1 8.883 0.02 A 78 LYS HA H 1 4.754 0.02 A 78 LYS HBy H 1 2.183 0.02 A 78 LYS HBx H 1 1.811 0.02 A 78 LYS HDy H 1 1.794 0.02 A 78 LYS HDx H 1 1.765 0.02 A 78 LYS HEx H 1 3.097 0.02 A 78 LYS HEy H 1 3.097 0.02 A 78 LYS HGy H 1 1.612 0.02 A 78 LYS HGx H 1 1.559 0.02 A 78 LYS C C 13 177.786 0.2 A 78 LYS CA C 13 55.962 0.2 A 78 LYS CB C 13 32.596 0.2 A 78 LYS CD C 13 28.965 0.2 A 78 LYS CE C 13 42.390 0.2 A 78 LYS CG C 13 25.283 0.2 A 78 LYS N N 15 125.472 0.2 A 79 GLU H H 1 8.819 0.02 A 79 GLU HA H 1 4.455 0.02 A 79 GLU HBy H 1 2.237 0.02 A 79 GLU HBx H 1 2.188 0.02 A 79 GLU HGy H 1 2.484 0.02 A 79 GLU HGx H 1 2.368 0.02 A 79 GLU C C 13 175.357 0.2 A 79 GLU CA C 13 56.505 0.2 A 79 GLU CB C 13 32.296 0.2 A 79 GLU CG C 13 36.432 0.2 A 79 GLU N N 15 122.096 0.2 A 80 ARG H H 1 8.091 0.02 A 80 ARG HA H 1 4.472 0.02 A 80 ARG HBy H 1 1.851 0.02 A 80 ARG HBx H 1 1.773 0.02 A 80 ARG HDy H 1 3.376 0.02 A 80 ARG HDx H 1 3.322 0.02 A 80 ARG HE H 1 7.557 0.02 A 80 ARG HGy H 1 1.747 0.02 A 80 ARG HGx H 1 1.363 0.02 A 80 ARG C C 13 173.162 0.2 A 80 ARG CA C 13 53.532 0.2 A 80 ARG CB C 13 33.614 0.2 A 80 ARG CD C 13 43.806 0.2 A 80 ARG CG C 13 26.651 0.2 A 80 ARG N N 15 117.560 0.2 A 80 ARG NE N 15 85.211 0.2 A 81 PRO HA H 1 4.256 0.02 A 81 PRO HBy H 1 1.809 0.02 A 81 PRO HBx H 1 1.161 0.02 A 81 PRO HDy H 1 2.348 0.02 A 81 PRO HDx H 1 1.815 0.02 A 81 PRO HGy H 1 0.594 0.02 A 81 PRO HGx H 1 0.359 0.02 A 81 PRO C C 13 175.287 0.2 A 81 PRO CA C 13 63.315 0.2 A 81 PRO CB C 13 32.873 0.2 A 81 PRO CD C 13 49.527 0.2 A 81 PRO CG C 13 27.276 0.2 A 82 ARG H H 1 8.181 0.02 A 82 ARG HA H 1 4.639 0.02 A 82 ARG HBy H 1 1.927 0.02 A 82 ARG HBx H 1 1.636 0.02 A 82 ARG HDy H 1 3.205 0.02 A 82 ARG HDx H 1 3.157 0.02 A 82 ARG HE H 1 7.273 0.02 A 82 ARG HGy H 1 1.673 0.02 A 82 ARG HGx H 1 1.453 0.02 A 82 ARG C C 13 174.486 0.2 A 82 ARG CA C 13 54.143 0.2 A 82 ARG CB C 13 33.770 0.2 A 82 ARG CD C 13 43.620 0.2 A 82 ARG CG C 13 26.596 0.2 A 82 ARG N N 15 119.596 0.2 A 82 ARG NE N 15 85.511 0.2 A 83 LEU H H 1 8.310 0.02 A 83 LEU HA H 1 2.399 0.02 A 83 LEU HBy H 1 1.383 0.02 A 83 LEU HBx H 1 1.271 0.02 A 83 LEU HD1% H 1 0.759 0.02 A 83 LEU HD2% H 1 0.788 0.02 A 83 LEU HG H 1 1.196 0.02 A 83 LEU C C 13 177.499 0.2 A 83 LEU CA C 13 57.359 0.2 A 83 LEU CB C 13 41.124 0.2 A 83 LEU CD1 C 13 24.053 0.2 A 83 LEU CD2 C 13 25.161 0.2 A 83 LEU CG C 13 26.934 0.2 A 83 LEU N N 15 122.654 0.2 A 84 GLY HAy H 1 3.723 0.02 A 84 GLY HAx H 1 2.738 0.02 A 84 GLY C C 13 172.917 0.2 A 84 GLY CA C 13 45.701 0.2 A 85 LYS H H 1 8.359 0.02 A 85 LYS HA H 1 4.580 0.02 A 85 LYS HBy H 1 1.678 0.02 A 85 LYS HBx H 1 1.409 0.02 A 85 LYS HDx H 1 1.670 0.02 A 85 LYS HDy H 1 1.670 0.02 A 85 LYS HEx H 1 3.033 0.02 A 85 LYS HEy H 1 3.033 0.02 A 85 LYS HGx H 1 1.303 0.02 A 85 LYS HGy H 1 1.303 0.02 A 85 LYS C C 13 174.456 0.2 A 85 LYS CA C 13 55.545 0.2 A 85 LYS CB C 13 33.594 0.2 A 85 LYS CD C 13 29.051 0.2 A 85 LYS CE C 13 42.426 0.2 A 85 LYS CG C 13 24.548 0.2 A 85 LYS N N 15 124.608 0.2 A 86 ALA H H 1 8.901 0.02 A 86 ALA HA H 1 4.645 0.02 A 86 ALA HB% H 1 1.367 0.02 A 86 ALA C C 13 178.127 0.2 A 86 ALA CA C 13 52.238 0.2 A 86 ALA CB C 13 20.411 0.2 A 86 ALA N N 15 129.770 0.2 A 87 VAL H H 1 8.420 0.02 A 87 VAL HA H 1 4.181 0.02 A 87 VAL HB H 1 1.869 0.02 A 87 VAL HG1% H 1 1.192 0.02 A 87 VAL HG2% H 1 0.645 0.02 A 87 VAL C C 13 175.393 0.2 A 87 VAL CA C 13 62.764 0.2 A 87 VAL CB C 13 32.730 0.2 A 87 VAL CG1 C 13 21.301 0.2 A 87 VAL CG2 C 13 21.361 0.2 A 87 VAL N N 15 121.027 0.2 A 88 SER H H 1 9.012 0.02 A 88 SER HA H 1 4.783 0.02 A 88 SER HBy H 1 3.585 0.02 A 88 SER HBx H 1 3.534 0.02 A 88 SER C C 13 172.600 0.2 A 88 SER CA C 13 58.030 0.2 A 88 SER CB C 13 63.930 0.2 A 88 SER N N 15 124.642 0.2 A 89 ILE H H 1 9.224 0.02 A 89 ILE HA H 1 3.751 0.02 A 89 ILE HB H 1 2.034 0.02 A 89 ILE HD1% H 1 0.855 0.02 A 89 ILE HG1y H 1 1.427 0.02 A 89 ILE HG1x H 1 0.133 0.02 A 89 ILE HG2% H 1 0.535 0.02 A 89 ILE C C 13 173.698 0.2 A 89 ILE CA C 13 58.727 0.2 A 89 ILE CB C 13 38.990 0.2 A 89 ILE CD1 C 13 14.930 0.2 A 89 ILE CG1 C 13 25.697 0.2 A 89 ILE CG2 C 13 15.943 0.2 A 89 ILE N N 15 127.437 0.2 A 90 PRO HA H 1 4.142 0.02 A 90 PRO HBy H 1 2.090 0.02 A 90 PRO HBx H 1 1.858 0.02 A 90 PRO HDy H 1 4.044 0.02 A 90 PRO HDx H 1 3.619 0.02 A 90 PRO HGy H 1 2.288 0.02 A 90 PRO HGx H 1 2.146 0.02 A 90 PRO C C 13 176.258 0.2 A 90 PRO CA C 13 62.671 0.2 A 90 PRO CB C 13 31.833 0.2 A 90 PRO CD C 13 51.203 0.2 A 90 PRO CG C 13 27.270 0.2 A 91 LEU H H 1 7.833 0.02 A 91 LEU HA H 1 4.650 0.02 A 91 LEU HBy H 1 1.703 0.02 A 91 LEU HBx H 1 1.099 0.02 A 91 LEU HD1% H 1 0.865 0.02 A 91 LEU HD2% H 1 0.770 0.02 A 91 LEU HG H 1 1.736 0.02 A 91 LEU C C 13 176.029 0.2 A 91 LEU CA C 13 53.342 0.2 A 91 LEU CB C 13 42.918 0.2 A 91 LEU CD1 C 13 26.904 0.2 A 91 LEU CD2 C 13 23.935 0.2 A 91 LEU CG C 13 26.712 0.2 A 91 LEU N N 15 121.659 0.2 A 92 ASP H H 1 9.201 0.02 A 92 ASP HA H 1 4.772 0.02 A 92 ASP HBy H 1 2.843 0.02 A 92 ASP HBx H 1 2.598 0.02 A 92 ASP C C 13 176.229 0.2 A 92 ASP CA C 13 53.574 0.2 A 92 ASP CB C 13 40.715 0.2 A 92 ASP N N 15 123.631 0.2 A 93 LEU H H 1 8.402 0.02 A 93 LEU HA H 1 4.518 0.02 A 93 LEU HBy H 1 1.662 0.02 A 93 LEU HBx H 1 1.647 0.02 A 93 LEU HD1% H 1 0.871 0.02 A 93 LEU HD2% H 1 0.762 0.02 A 93 LEU HG H 1 1.591 0.02 A 93 LEU C C 13 177.875 0.2 A 93 LEU CA C 13 54.314 0.2 A 93 LEU CB C 13 42.700 0.2 A 93 LEU CD1 C 13 26.120 0.2 A 93 LEU CD2 C 13 23.039 0.2 A 93 LEU CG C 13 26.935 0.2 A 93 LEU N N 15 123.921 0.2 A 94 GLY H H 1 8.508 0.02 A 94 GLY HAx H 1 4.025 0.02 A 94 GLY HAy H 1 4.025 0.02 A 94 GLY C C 13 175.272 0.2 A 94 GLY CA C 13 45.741 0.2 A 94 GLY N N 15 109.050 0.2 A 95 GLU H H 1 8.799 0.02 A 95 GLU HA H 1 4.291 0.02 A 95 GLU HBy H 1 2.179 0.02 A 95 GLU HBx H 1 2.060 0.02 A 95 GLU HGy H 1 2.396 0.02 A 95 GLU HGx H 1 2.369 0.02 A 95 GLU C C 13 177.457 0.2 A 95 GLU CA C 13 57.677 0.2 A 95 GLU CB C 13 29.542 0.2 A 95 GLU CG C 13 35.788 0.2 A 95 GLU N N 15 122.318 0.2 A 96 ARG H H 1 8.376 0.02 A 96 ARG HA H 1 4.360 0.02 A 96 ARG HBy H 1 1.979 0.02 A 96 ARG HBx H 1 1.893 0.02 A 96 ARG HDy H 1 3.243 0.02 A 96 ARG HDx H 1 3.237 0.02 A 96 ARG HE H 1 7.299 0.02 A 96 ARG HGy H 1 1.753 0.02 A 96 ARG HGx H 1 1.684 0.02 A 96 ARG C C 13 176.869 0.2 A 96 ARG CA C 13 56.813 0.2 A 96 ARG CB C 13 30.070 0.2 A 96 ARG CD C 13 43.377 0.2 A 96 ARG CG C 13 27.326 0.2 A 96 ARG N N 15 119.696 0.2 A 96 ARG NE N 15 84.663 0.2 A 97 ALA H H 1 8.009 0.02 A 97 ALA HA H 1 4.164 0.02 A 97 ALA HB% H 1 1.471 0.02 A 97 ALA C C 13 178.533 0.2 A 97 ALA CA C 13 53.957 0.2 A 97 ALA CB C 13 19.186 0.2 A 97 ALA N N 15 123.078 0.2 A 98 SER H H 1 8.176 0.02 A 98 SER HA H 1 4.306 0.02 A 98 SER HBy H 1 3.955 0.02 A 98 SER HBx H 1 3.880 0.02 A 98 SER C C 13 175.279 0.2 A 98 SER CA C 13 59.842 0.2 A 98 SER CB C 13 63.354 0.2 A 98 SER N N 15 113.287 0.2 A 99 GLU H H 1 8.189 0.02 A 99 GLU HA H 1 4.201 0.02 A 99 GLU HBy H 1 2.047 0.02 A 99 GLU HBx H 1 2.032 0.02 A 99 GLU HGy H 1 2.303 0.02 A 99 GLU HGx H 1 2.252 0.02 A 99 GLU C C 13 176.705 0.2 A 99 GLU CA C 13 57.377 0.2 A 99 GLU CB C 13 29.582 0.2 A 99 GLU CG C 13 35.605 0.2 A 99 GLU N N 15 121.294 0.2 A 100 TRP H H 1 7.883 0.02 A 100 TRP HA H 1 4.503 0.02 A 100 TRP HBy H 1 3.269 0.02 A 100 TRP HBx H 1 3.208 0.02 A 100 TRP HD1 H 1 7.174 0.02 A 100 TRP HE1 H 1 10.009 0.02 A 100 TRP HE3 H 1 7.436 0.02 A 100 TRP HH2 H 1 7.004 0.02 A 100 TRP HZ2 H 1 7.346 0.02 A 100 TRP HZ3 H 1 6.866 0.02 A 100 TRP C C 13 176.471 0.2 A 100 TRP CA C 13 58.335 0.2 A 100 TRP CB C 13 29.300 0.2 A 100 TRP CD1 C 13 126.807 0.2 A 100 TRP CE3 C 13 120.548 0.2 A 100 TRP CH2 C 13 124.400 0.2 A 100 TRP CZ2 C 13 114.512 0.2 A 100 TRP CZ3 C 13 121.700 0.2 A 100 TRP N N 15 120.148 0.2 A 100 TRP NE1 N 15 129.001 0.2 A 101 ILE H H 1 7.646 0.02 A 101 ILE HA H 1 3.862 0.02 A 101 ILE HB H 1 1.728 0.02 A 101 ILE HD1% H 1 0.750 0.02 A 101 ILE HG1y H 1 1.335 0.02 A 101 ILE HG1x H 1 1.022 0.02 A 101 ILE HG2% H 1 0.747 0.02 A 101 ILE C C 13 176.278 0.2 A 101 ILE CA C 13 62.174 0.2 A 101 ILE CB C 13 38.466 0.2 A 101 ILE CD1 C 13 13.189 0.2 A 101 ILE CG1 C 13 27.815 0.2 A 101 ILE CG2 C 13 17.340 0.2 A 101 ILE N N 15 120.500 0.2 A 102 ILE H H 1 7.733 0.02 A 102 ILE HA H 1 3.946 0.02 A 102 ILE HB H 1 1.843 0.02 A 102 ILE HD1% H 1 0.791 0.02 A 102 ILE HG1y H 1 1.461 0.02 A 102 ILE HG1x H 1 1.124 0.02 A 102 ILE HG2% H 1 0.836 0.02 A 102 ILE C C 13 176.742 0.2 A 102 ILE CA C 13 61.991 0.2 A 102 ILE CB C 13 38.131 0.2 A 102 ILE CD1 C 13 12.867 0.2 A 102 ILE CG1 C 13 27.735 0.2 A 102 ILE CG2 C 13 17.522 0.2 A 102 ILE N N 15 122.769 0.2 A 103 LEU H H 1 8.026 0.02 A 103 LEU HA H 1 4.198 0.02 A 103 LEU HBy H 1 1.593 0.02 A 103 LEU HBx H 1 1.396 0.02 A 103 LEU HD1% H 1 0.788 0.02 A 103 LEU HD2% H 1 0.713 0.02 A 103 LEU HG H 1 1.554 0.02 A 103 LEU C C 13 177.679 0.2 A 103 LEU CA C 13 55.680 0.2 A 103 LEU CB C 13 42.215 0.2 A 103 LEU CD1 C 13 25.078 0.2 A 103 LEU CD2 C 13 23.275 0.2 A 103 LEU CG C 13 26.828 0.2 A 103 LEU N N 15 124.478 0.2 A 104 GLU H H 1 8.132 0.02 A 104 GLU HA H 1 4.170 0.02 A 104 GLU HBy H 1 1.922 0.02 A 104 GLU HBx H 1 1.867 0.02 A 104 GLU HGy H 1 2.177 0.02 A 104 GLU HGx H 1 2.115 0.02 A 104 GLU C C 13 176.656 0.2 A 104 GLU CA C 13 56.901 0.2 A 104 GLU CB C 13 30.152 0.2 A 104 GLU CG C 13 35.879 0.2 A 104 GLU N N 15 120.470 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 64 LEU H A 66 GLY H 1.0 1.8 5.52 2 2 A 66 GLY H A 64 LEU HBy 1.0 1.8 4.55 3 3 A 66 GLY H A 64 LEU HG 1.0 1.8 5.84 4 4 A 66 GLY H A 91 LEU HD1% 1.0 1.8 5.56 5 5 A 66 GLY H A 91 LEU HD2% 1.0 1.8 5.47 6 6 A 66 GLY H A 93 LEU HD2% 1.0 1.8 5.71 7 7 A 66 GLY H A 61 LEU HBx 1.0 1.8 5.53 8 8 A 66 GLY H A 69 GLN HBx 1.0 1.8 6.05 9 9 A 25 THR HA A 27 GLY H 1.0 1.8 4.73 10 10 A 27 GLY H A 26 GLN HBy 1.0 1.8 4.62 11 11 A 27 GLY H A 26 GLN HBx 1.0 1.8 4.96 12 12 A 27 GLY H A 28 LYS HBy 1.0 1.8 5.44 13 13 A 27 GLY H A 28 LYS HDx 1.0 1.8 5.89 14 14 A 27 GLY H A 28 LYS HGx 1.0 1.8 5.56 15 15 A 27 GLY H A 25 THR HG2% 1.0 1.8 5.57 16 16 A 66 GLY H A 65 GLY H 1.0 1.8 3.85 17 17 A 65 GLY H A 63 ALA H 1.0 1.8 5.16 18 18 A 65 GLY H A 62 HIS HA 1.0 1.8 4.57 19 19 A 65 GLY H A 66 GLY HAx 1.0 1.8 5.32 20 20 A 64 LEU HBy A 65 GLY H 1.0 1.8 4.22 21 21 A 64 LEU HG A 65 GLY H 1.0 1.8 4.74 22 22 A 65 GLY H A 93 LEU HD1% 1.0 1.8 5.76 23 23 A 93 LEU HD2% A 65 GLY H 1.0 1.8 5.32 24 24 A 65 GLY H A 64 LEU HD2% 1.0 1.8 5.58 25 25 A 65 GLY H A 64 LEU HD1% 1.0 1.8 5.61 26 26 A 14 TRP H A 15 GLY H 1.0 1.8 3.81 27 27 A 15 GLY H A 14 TRP HE3 1.0 1.8 5.87 28 28 A 15 GLY H A 11 LEU HA 1.0 1.8 4.06 29 29 A 15 GLY H A 13 LYS HBx 1.0 1.8 4.80 30 30 A 15 GLY H A 11 LEU HD2% 1.0 1.8 4.82 31 31 A 42 SER H A 40 GLN HGy 1.0 1.8 5.98 32 32 A 42 SER H A 41 ALA HB% 1.0 1.8 3.65 33 33 A 42 SER H A 40 GLN HGx 1.0 1.8 5.98 34 34 A 93 LEU HBy A 94 GLY H 1.0 1.8 4.79 35 35 A 94 GLY H A 97 ALA HB% 1.0 1.8 5.38 36 36 A 93 LEU HD2% A 94 GLY H 1.0 1.8 5.09 37 37 A 94 GLY H A 92 ASP HBx 1.0 1.8 5.52 38 38 A 94 GLY H A 92 ASP HBy 1.0 1.8 6.05 39 39 A 94 GLY H A 92 ASP HA 1.0 1.8 4.69 40 40 A 94 GLY H A 95 GLU H 1.0 1.8 4.27 41 41 A 2 THR HB A 3 GLY H 1.0 1.8 3.99 42 42 A 3 GLY H A 55 ASP HA 1.0 1.8 4.39 43 43 A 3 GLY H A 4 GLN HBy 1.0 1.8 6.05 44 44 A 3 GLY H A 4 GLN HBx 1.0 1.8 6.05 45 45 A 3 GLY H A 58 ALA HB% 1.0 1.8 4.21 46 46 A 32 GLN HGy A 32 GLN HE22 1.0 1.8 4.47 47 47 A 32 GLN HE22 A 32 GLN HBx 1.0 1.8 4.95 48 48 A 32 GLN HBx A 32 GLN HE21 1.0 1.8 4.95 49 49 A 32 GLN HE22 A 86 ALA HB% 1.0 1.8 4.37 50 50 A 32 GLN HE21 A 86 ALA HB% 1.0 1.8 4.37 51 51 A 32 GLN HE21 A 88 SER HBy 1.0 1.8 5.41 52 52 A 69 GLN HE21 A 92 ASP H 1.0 1.8 4.87 53 53 A 92 ASP H A 69 GLN HE22 1.0 1.8 4.55 54 54 A 69 GLN HE21 A 66 GLY HAy 1.0 1.8 4.98 55 55 A 69 GLN HE22 A 66 GLY HAy 1.0 1.8 6.05 56 56 A 69 GLN HE22 A 91 LEU HA 1.0 1.8 6.05 57 57 A 92 ASP HBx A 69 GLN HE22 1.0 1.8 4.65 58 58 A 92 ASP HBx A 69 GLN HE21 1.0 1.8 5.12 59 59 A 69 GLN HBx A 69 GLN HE21 1.0 1.8 5.38 60 60 A 69 GLN HE21 A 69 GLN HBy 1.0 1.8 5.67 61 61 A 69 GLN HE22 A 69 GLN HBy 1.0 1.8 5.12 62 62 A 93 LEU HD2% A 69 GLN HE21 1.0 1.8 4.63 63 63 A 93 LEU HD2% A 69 GLN HE22 1.0 1.8 5.33 64 64 A 72 THR HG2% A 76 GLN HE21 1.0 1.8 4.02 65 65 A 72 THR HG2% A 76 GLN HE22 1.0 1.8 4.02 66 66 A 76 GLN HE22 A 76 GLN HBy 1.0 1.8 6.05 67 67 A 76 GLN HE21 A 76 GLN HBy 1.0 1.8 6.05 68 68 A 39 GLU H A 40 GLN H 1.0 1.8 4.46 69 69 A 39 GLU H A 37 TYR HD% 1.0 1.8 4.04 70 70 A 39 GLU H A 38 LEU H 1.0 1.8 4.65 71 71 A 39 GLU H A 39 GLU HGy 1.0 1.8 5.40 72 72 A 39 GLU H A 39 GLU HBy 1.0 1.8 4.40 73 73 A 39 GLU H A 38 LEU HG 1.0 1.8 5.39 74 74 A 39 GLU H A 38 LEU HBy 1.0 1.8 5.19 75 75 A 39 GLU H A 38 LEU HD1% 1.0 1.8 5.81 76 76 A 39 GLU H A 38 LEU HD2% 1.0 1.8 6.05 77 77 A 39 GLU H A 38 LEU HBx 1.0 1.8 5.19 78 78 A 46 ASN H A 46 ASN HD21 1.0 1.8 5.67 79 79 A 51 GLN HE22 A 54 LEU HBy 1.0 1.8 5.50 80 80 A 51 GLN HE22 A 54 LEU HBx 1.0 1.8 5.50 81 81 A 51 GLN HE22 A 54 LEU HD1% 1.0 1.8 4.98 82 82 A 51 GLN HE22 A 3 GLY HAx 1.0 1.8 5.38 83 83 A 51 GLN HE22 A 4 GLN HA 1.0 1.8 5.05 84 84 A 51 GLN HE22 A 51 GLN HA 1.0 1.8 5.37 85 85 A 3 GLY HAx A 51 GLN HE21 1.0 1.8 5.38 86 86 A 4 GLN HA A 51 GLN HE21 1.0 1.8 5.05 87 87 A 51 GLN HA A 51 GLN HE21 1.0 1.8 5.37 88 88 A 51 GLN HE21 A 54 LEU HBy 1.0 1.8 5.50 89 89 A 51 GLN HE21 A 54 LEU HBx 1.0 1.8 5.50 90 90 A 74 ILE HB A 75 THR H 1.0 1.8 4.13 91 91 A 75 THR H A 76 GLN HBx 1.0 1.8 5.16 92 92 A 75 THR H A 77 THR HG2% 1.0 1.8 5.41 93 93 A 75 THR H A 9 LEU HD1% 1.0 1.8 5.25 94 94 A 75 THR H A 9 LEU HD2% 1.0 1.8 5.72 95 95 A 75 THR H A 74 ILE HD1% 1.0 1.8 5.41 96 96 A 75 THR H A 74 ILE HG2% 1.0 1.8 4.30 97 97 A 75 THR H A 74 ILE HG1x 1.0 1.8 5.21 98 98 A 75 THR H A 76 GLN HGx 1.0 1.8 5.60 99 99 A 75 THR H A 72 THR HA 1.0 1.8 4.30 100 100 A 75 THR H A 75 THR HB 1.0 1.8 3.84 101 101 A 75 THR H A 74 ILE H 1.0 1.8 4.09 102 102 A 75 THR H A 76 GLN H 1.0 1.8 3.93 103 103 A 97 ALA HB% A 98 SER H 1.0 1.8 3.63 104 104 A 98 SER H A 101 ILE HD1% 1.0 1.8 4.92 105 105 A 98 SER H A 101 ILE HB 1.0 1.8 5.47 106 106 A 98 SER H A 97 ALA HA 1.0 1.8 3.84 107 107 A 14 TRP H A 10 LEU HA 1.0 1.8 5.13 108 108 A 14 TRP H A 14 TRP HBx 1.0 1.8 4.39 109 109 A 14 TRP H A 13 LYS HBx 1.0 1.8 4.09 110 110 A 14 TRP H A 13 LYS HGx 1.0 1.8 5.65 111 111 A 14 TRP H A 13 LYS HGy 1.0 1.8 5.65 112 112 A 14 TRP H A 74 ILE HG2% 1.0 1.8 5.51 113 113 A 64 LEU H A 62 HIS H 1.0 1.8 5.21 114 114 A 64 LEU H A 93 LEU HD2% 1.0 1.8 6.05 115 115 A 64 LEU H A 93 LEU HD1% 1.0 1.8 5.51 116 116 A 16 TYR H A 16 TYR HBy 1.0 1.8 4.40 117 117 A 16 TYR H A 11 LEU HD1% 1.0 1.8 5.73 118 118 A 11 LEU HD2% A 16 TYR H 1.0 1.8 4.13 119 119 A 16 TYR H A 11 LEU HBx 1.0 1.8 5.37 120 120 A 16 TYR H A 16 TYR HBx 1.0 1.8 4.54 121 121 A 11 LEU HA A 16 TYR H 1.0 1.8 3.96 122 122 A 16 TYR H A 18 TYR HD% 1.0 1.8 5.20 123 123 A 14 TRP HE3 A 16 TYR H 1.0 1.8 5.41 124 124 A 15 GLY H A 16 TYR H 1.0 1.8 4.02 125 125 A 16 TYR H A 17 SER H 1.0 1.8 5.46 126 126 A 77 THR H A 78 LYS H 1.0 1.8 5.35 127 127 A 77 THR H A 77 THR HB 1.0 1.8 3.70 128 128 A 77 THR H A 74 ILE HA 1.0 1.8 4.73 129 129 A 76 GLN HBx A 77 THR H 1.0 1.8 4.18 130 130 A 76 GLN HBy A 77 THR H 1.0 1.8 4.74 131 131 A 77 THR HG2% A 77 THR H 1.0 1.8 3.38 132 132 A 38 LEU HD1% A 48 THR H 1.0 1.8 6.05 133 133 A 38 LEU HD2% A 48 THR H 1.0 1.8 6.05 134 134 A 48 THR H A 47 GLU HBy 1.0 1.8 4.75 135 135 A 48 THR H A 46 ASN HBy 1.0 1.8 5.32 136 136 A 48 THR H A 48 THR HB 1.0 1.8 3.51 137 137 A 48 THR H A 50 TYR H 1.0 1.8 5.08 138 138 A 48 THR H A 47 GLU H 1.0 1.8 3.99 139 139 A 8 GLN HE21 A 12 ASP H 1.0 1.8 5.53 140 140 A 8 GLN HE21 A 8 GLN HBy 1.0 1.8 4.96 141 141 A 8 GLN HE21 A 8 GLN HBx 1.0 1.8 4.96 142 142 A 8 GLN HE21 A 11 LEU HBy 1.0 1.8 4.98 143 143 A 11 LEU HBx A 8 GLN HE21 1.0 1.8 5.20 144 144 A 11 LEU HD1% A 8 GLN HE21 1.0 1.8 4.77 145 145 A 11 LEU HD1% A 8 GLN HE22 1.0 1.8 4.47 146 146 A 11 LEU HD2% A 8 GLN HE22 1.0 1.8 5.79 147 147 A 11 LEU HBx A 8 GLN HE22 1.0 1.8 5.19 148 148 A 8 GLN HE22 A 8 GLN HBy 1.0 1.8 5.79 149 149 A 8 GLN HE22 A 8 GLN HBx 1.0 1.8 5.79 150 150 A 11 LEU HBy A 8 GLN HE22 1.0 1.8 5.06 151 151 A 8 GLN HE22 A 8 GLN HA 1.0 1.8 4.96 152 152 A 56 SER H A 57 VAL HG2% 1.0 1.8 4.87 153 153 A 56 SER H A 55 ASP HBy 1.0 1.8 4.31 154 154 A 56 SER H A 55 ASP HBx 1.0 1.8 4.31 155 155 A 56 SER H A 56 SER HBy 1.0 1.8 3.70 156 156 A 56 SER H A 56 SER HBx 1.0 1.8 4.00 157 157 A 56 SER H A 53 HIS HA 1.0 1.8 5.05 158 158 A 56 SER H A 58 ALA H 1.0 1.8 5.27 159 159 A 56 SER H A 55 ASP H 1.0 1.8 4.02 160 160 A 56 SER H A 54 LEU H 1.0 1.8 5.21 161 161 A 56 SER H A 59 ASN H 1.0 1.8 5.80 162 162 A 56 SER H A 57 VAL H 1.0 1.8 4.08 163 163 A 43 PHE HA A 45 MET H 1.0 1.8 5.35 164 164 A 45 MET H A 44 PRO HDy 1.0 1.8 5.03 165 165 A 45 MET H A 44 PRO HDx 1.0 1.8 5.03 166 166 A 45 MET H A 45 MET HGy 1.0 1.8 4.98 167 167 A 45 MET H A 44 PRO HGx 1.0 1.8 5.56 168 168 A 38 LEU HD1% A 45 MET H 1.0 1.8 5.43 169 169 A 70 VAL HG2% A 72 THR H 1.0 1.8 5.72 170 170 A 72 THR H A 68 VAL HG1% 1.0 1.8 4.58 171 171 A 72 THR H A 70 VAL HG1% 1.0 1.8 5.32 172 172 A 72 THR H A 71 LYS HGx 1.0 1.8 5.54 173 173 A 72 THR H A 71 LYS HBx 1.0 1.8 4.20 174 174 A 72 THR H A 71 LYS HBy 1.0 1.8 4.32 175 175 A 72 THR H A 71 LYS HDy 1.0 1.8 6.05 176 176 A 72 THR H A 70 VAL HB 1.0 1.8 5.37 177 177 A 72 THR H A 69 GLN HA 1.0 1.8 4.33 178 178 A 72 THR H A 68 VAL HA 1.0 1.8 5.02 179 179 A 72 THR H A 70 VAL HA 1.0 1.8 5.40 180 180 A 74 ILE H A 72 THR H 1.0 1.8 5.13 181 181 A 72 THR H A 70 VAL H 1.0 1.8 5.40 182 182 A 37 TYR H A 43 PHE HD% 1.0 1.8 4.75 183 183 A 37 TYR H A 36 LYS H 1.0 1.8 5.24 184 184 A 37 TYR H A 36 LYS HA 1.0 1.8 3.77 185 185 A 37 TYR H A 36 LYS HBy 1.0 1.8 4.54 186 186 A 37 TYR H A 36 LYS HBx 1.0 1.8 4.68 187 187 A 20 VAL H A 20 VAL HG2% 1.0 1.8 3.78 188 188 A 20 VAL H A 57 VAL HG1% 1.0 1.8 5.53 189 189 A 20 VAL H A 20 VAL HB 1.0 1.8 4.39 190 190 A 20 VAL H A 19 ASP HBx 1.0 1.8 5.08 191 191 A 20 VAL H A 19 ASP HBy 1.0 1.8 5.08 192 192 A 20 VAL H A 19 ASP HA 1.0 1.8 3.58 193 193 A 20 VAL H A 21 GLN HA 1.0 1.8 5.67 194 194 A 20 VAL H A 50 TYR HE% 1.0 1.8 5.61 195 195 A 20 VAL H A 21 GLN H 1.0 1.8 5.12 196 196 A 8 GLN H A 10 LEU H 1.0 1.8 5.13 197 197 A 8 GLN H A 6 LEU HA 1.0 1.8 5.12 198 198 A 8 GLN H A 5 GLU HA 1.0 1.8 4.35 199 199 A 8 GLN H A 8 GLN HGx 1.0 1.8 4.53 200 200 A 8 GLN H A 8 GLN HBx 1.0 1.8 4.00 201 201 A 8 GLN H A 10 LEU HD1% 1.0 1.8 6.05 202 202 A 8 GLN H A 6 LEU HD1% 1.0 1.8 5.79 203 203 A 11 LEU HD1% A 8 GLN H 1.0 1.8 4.62 204 204 A 72 THR HG2% A 76 GLN H 1.0 1.8 4.73 205 205 A 76 GLN H A 75 THR HG2% 1.0 1.8 4.98 206 206 A 76 GLN HBx A 76 GLN H 1.0 1.8 3.44 207 207 A 74 ILE HG2% A 76 GLN H 1.0 1.8 5.84 208 208 A 76 GLN HGx A 76 GLN H 1.0 1.8 3.89 209 209 A 75 THR HB A 76 GLN H 1.0 1.8 4.02 210 210 A 76 GLN H A 73 PHE HA 1.0 1.8 4.81 211 211 A 74 ILE H A 76 GLN H 1.0 1.8 5.37 212 212 A 60 TYR H A 61 LEU H 1.0 1.8 4.15 213 213 A 61 LEU H A 22 PHE HE% 1.0 1.8 5.50 214 214 A 61 LEU H A 60 TYR HBy 1.0 1.8 4.69 215 215 A 61 LEU H A 60 TYR HBx 1.0 1.8 4.69 216 216 A 58 ALA HB% A 61 LEU H 1.0 1.8 5.65 217 217 A 61 LEU H A 63 ALA HB% 1.0 1.8 6.05 218 218 A 61 LEU HBx A 61 LEU H 1.0 1.8 4.42 219 219 A 57 VAL HG1% A 61 LEU H 1.0 1.8 5.17 220 220 A 80 ARG H A 79 GLU HGy 1.0 1.8 5.25 221 221 A 80 ARG H A 79 GLU HBx 1.0 1.8 3.65 222 222 A 80 ARG H A 80 ARG HBx 1.0 1.8 4.43 223 223 A 80 ARG H A 80 ARG HGy 1.0 1.8 5.08 224 224 A 80 ARG H A 87 VAL HG1% 1.0 1.8 5.67 225 225 A 80 ARG H A 87 VAL HG2% 1.0 1.8 4.14 226 226 A 80 ARG H A 80 ARG HDy 1.0 1.8 6.05 227 227 A 80 ARG H A 80 ARG HDx 1.0 1.8 6.05 228 228 A 80 ARG H A 14 TRP HE1 1.0 1.8 5.73 229 229 A 74 ILE H A 72 THR HB 1.0 1.8 6.05 230 230 A 74 ILE H A 71 LYS HA 1.0 1.8 4.92 231 231 A 74 ILE H A 70 VAL HA 1.0 1.8 5.22 232 232 A 74 ILE H A 73 PHE HBy 1.0 1.8 4.49 233 233 A 74 ILE H A 73 PHE HBx 1.0 1.8 4.36 234 234 A 77 THR HG2% A 74 ILE H 1.0 1.8 5.28 235 235 A 9 LEU HD2% A 74 ILE H 1.0 1.8 4.61 236 236 A 74 ILE H A 70 VAL HG1% 1.0 1.8 4.43 237 237 A 46 ASN H A 45 MET HBy 1.0 1.8 4.86 238 238 A 46 ASN H A 45 MET H 1.0 1.8 5.37 239 239 A 12 ASP H A 10 LEU H 1.0 1.8 5.37 240 240 A 10 LEU H A 7 ARG HA 1.0 1.8 4.95 241 241 A 8 GLN HA A 10 LEU H 1.0 1.8 5.33 242 242 A 10 LEU H A 10 LEU HBx 1.0 1.8 4.14 243 243 A 10 LEU H A 10 LEU HG 1.0 1.8 3.77 244 244 A 10 LEU H A 10 LEU HBy 1.0 1.8 4.26 245 245 A 10 LEU H A 9 LEU HBy 1.0 1.8 4.58 246 246 A 10 LEU H A 9 LEU HBx 1.0 1.8 4.14 247 247 A 10 LEU H A 11 LEU HG 1.0 1.8 5.50 248 248 A 9 LEU HD1% A 10 LEU H 1.0 1.8 6.05 249 249 A 11 LEU HD1% A 10 LEU H 1.0 1.8 5.35 250 250 A 62 HIS H A 61 LEU HBy 1.0 1.8 4.39 251 251 A 62 HIS H A 63 ALA HB% 1.0 1.8 4.58 252 252 A 62 HIS H A 67 ALA HB% 1.0 1.8 4.96 253 253 A 61 LEU HBx A 62 HIS H 1.0 1.8 4.85 254 254 A 62 HIS H A 61 LEU HD1% 1.0 1.8 5.30 255 255 A 62 HIS H A 61 LEU HD2% 1.0 1.8 5.05 256 256 A 62 HIS H A 62 HIS HBy 1.0 1.8 3.90 257 257 A 62 HIS H A 61 LEU H 1.0 1.8 4.23 258 258 A 55 ASP HA A 59 ASN H 1.0 1.8 5.13 259 259 A 59 ASN H A 59 ASN HBy 1.0 1.8 3.76 260 260 A 59 ASN H A 59 ASN HBx 1.0 1.8 3.76 261 261 A 58 ALA HB% A 59 ASN H 1.0 1.8 3.84 262 262 A 59 ASN H A 6 LEU HD2% 1.0 1.8 6.05 263 263 A 59 ASN H A 61 LEU HD1% 1.0 1.8 6.05 264 264 A 13 LYS H A 13 LYS HGy 1.0 1.8 5.37 265 265 A 9 LEU HD1% A 13 LYS H 1.0 1.8 5.20 266 266 A 74 ILE HG2% A 13 LYS H 1.0 1.8 5.48 267 267 A 11 LEU HBy A 13 LYS H 1.0 1.8 5.37 268 268 A 13 LYS H A 12 ASP HBx 1.0 1.8 4.48 269 269 A 14 TRP H A 13 LYS H 1.0 1.8 4.04 270 270 A 15 GLY H A 13 LYS H 1.0 1.8 4.97 271 271 A 67 ALA H A 68 VAL H 1.0 1.8 3.82 272 272 A 67 ALA HB% A 68 VAL H 1.0 1.8 3.75 273 273 A 68 VAL HG1% A 68 VAL H 1.0 1.8 4.27 274 274 A 38 LEU HD1% A 47 GLU H 1.0 1.8 4.52 275 275 A 2 THR H A 5 GLU HBx 1.0 1.8 4.65 276 276 A 2 THR H A 1 MET HGy 1.0 1.8 4.73 277 277 A 2 THR H A 1 MET HGx 1.0 1.8 4.73 278 278 A 47 GLU H A 47 GLU HGy 1.0 1.8 4.84 279 279 A 47 GLU H A 46 ASN HBx 1.0 1.8 4.11 280 280 A 47 GLU H A 46 ASN HBy 1.0 1.8 4.11 281 281 A 19 ASP H A 18 TYR HBy 1.0 1.8 5.25 282 282 A 19 ASP H A 19 ASP HBx 1.0 1.8 4.50 283 283 A 5 GLU H A 7 ARG H 1.0 1.8 5.89 284 284 A 10 LEU H A 7 ARG H 1.0 1.8 6.05 285 285 A 4 GLN HA A 7 ARG H 1.0 1.8 4.81 286 286 A 7 ARG H A 6 LEU HBy 1.0 1.8 4.66 287 287 A 7 ARG H A 7 ARG HBy 1.0 1.8 3.93 288 288 A 7 ARG H A 6 LEU HBx 1.0 1.8 4.66 289 289 A 7 ARG H A 6 LEU HG 1.0 1.8 4.70 290 290 A 10 LEU HD1% A 7 ARG H 1.0 1.8 5.32 291 291 A 6 LEU HD1% A 7 ARG H 1.0 1.8 4.86 292 292 A 6 LEU HD2% A 7 ARG H 1.0 1.8 5.12 293 293 A 70 VAL H A 68 VAL H 1.0 1.8 5.13 294 294 A 70 VAL H A 67 ALA HA 1.0 1.8 4.48 295 295 A 70 VAL H A 69 GLN HGx 1.0 1.8 5.57 296 296 A 71 LYS HBy A 70 VAL H 1.0 1.8 5.33 297 297 A 70 VAL H A 67 ALA HB% 1.0 1.8 5.56 298 298 A 81 PRO HBy A 82 ARG H 1.0 1.8 4.17 299 299 A 71 LYS HGx A 71 LYS H 1.0 1.8 4.06 300 300 A 82 ARG H A 81 PRO HBx 1.0 1.8 4.71 301 301 A 87 VAL HG2% A 82 ARG H 1.0 1.8 4.74 302 302 A 82 ARG H A 86 ALA HA 1.0 1.8 4.44 303 303 A 82 ARG H A 85 LYS H 1.0 1.8 4.53 304 304 A 82 ARG H A 35 TRP HE3 1.0 1.8 5.21 305 305 A 52 GLU H A 52 GLU HGy 1.0 1.8 3.88 306 306 A 52 GLU H A 52 GLU HGx 1.0 1.8 3.88 307 307 A 52 GLU H A 51 GLN HBx 1.0 1.8 3.53 308 308 A 52 GLU H A 49 GLU HA 1.0 1.8 4.43 309 309 A 37 TYR HD% A 17 SER H 1.0 1.8 6.05 310 310 A 38 LEU H A 17 SER H 1.0 1.8 6.05 311 311 A 16 TYR HBx A 17 SER H 1.0 1.8 5.42 312 312 A 16 TYR HBy A 17 SER H 1.0 1.8 5.61 313 313 A 95 GLU H A 96 ARG H 1.0 1.8 3.92 314 314 A 96 ARG H A 94 GLY HAx 1.0 1.8 5.56 315 315 A 53 HIS H A 52 GLU HBy 1.0 1.8 4.55 316 316 A 53 HIS H A 52 GLU HBx 1.0 1.8 4.55 317 317 A 96 ARG H A 96 ARG HBy 1.0 1.8 4.19 318 318 A 97 ALA HB% A 96 ARG H 1.0 1.8 4.73 319 319 A 96 ARG H A 96 ARG HGy 1.0 1.8 4.03 320 320 A 71 LYS H A 1 MET HE% 1.0 1.8 3.84 321 321 A 71 LYS HBx A 71 LYS H 1.0 1.8 4.21 322 322 A 71 LYS HBy A 71 LYS H 1.0 1.8 3.66 323 323 A 9 LEU HD2% A 71 LYS H 1.0 1.8 4.32 324 324 A 70 VAL HG1% A 71 LYS H 1.0 1.8 4.10 325 325 A 72 THR H A 71 LYS H 1.0 1.8 4.06 326 326 A 53 HIS H A 51 GLN H 1.0 1.8 5.01 327 327 A 54 LEU H A 53 HIS H 1.0 1.8 4.06 328 328 A 53 HIS H A 53 HIS HBy 1.0 1.8 4.03 329 329 A 10 LEU HD1% A 18 TYR H 1.0 1.8 3.87 330 330 A 18 TYR H A 33 VAL HG1% 1.0 1.8 5.17 331 331 A 16 TYR HBx A 18 TYR H 1.0 1.8 5.26 332 332 A 10 LEU HBx A 18 TYR H 1.0 1.8 5.20 333 333 A 18 TYR H A 18 TYR HBx 1.0 1.8 4.33 334 334 A 10 LEU HBy A 18 TYR H 1.0 1.8 4.69 335 335 A 18 TYR H A 18 TYR HBy 1.0 1.8 4.33 336 336 A 19 ASP H A 18 TYR H 1.0 1.8 5.05 337 337 A 17 SER H A 18 TYR H 1.0 1.8 5.65 338 338 A 10 LEU H A 9 LEU H 1.0 1.8 3.85 339 339 A 5 GLU HA A 9 LEU H 1.0 1.8 4.99 340 340 A 10 LEU HG A 9 LEU H 1.0 1.8 4.70 341 341 A 9 LEU H A 8 GLN HBx 1.0 1.8 4.16 342 342 A 9 LEU H A 8 GLN HBy 1.0 1.8 4.16 343 343 A 9 LEU HBx A 9 LEU H 1.0 1.8 3.60 344 344 A 9 LEU H A 10 LEU HD2% 1.0 1.8 5.04 345 345 A 11 LEU HD1% A 9 LEU H 1.0 1.8 5.64 346 346 A 11 LEU HG A 11 LEU H 1.0 1.8 3.98 347 347 A 11 LEU HBx A 11 LEU H 1.0 1.8 3.90 348 348 A 10 LEU HBx A 11 LEU H 1.0 1.8 4.66 349 349 A 8 GLN HA A 11 LEU H 1.0 1.8 4.41 350 350 A 11 LEU H A 9 LEU HA 1.0 1.8 4.64 351 351 A 10 LEU H A 11 LEU H 1.0 1.8 4.03 352 352 A 25 THR H A 30 PHE HE% 1.0 1.8 4.95 353 353 A 25 THR H A 30 PHE HD% 1.0 1.8 5.13 354 354 A 25 THR H A 24 ARG HA 1.0 1.8 3.47 355 355 A 25 THR H A 29 ILE HA 1.0 1.8 4.69 356 356 A 55 ASP H A 54 LEU HBx 1.0 1.8 4.37 357 357 A 51 GLN HBx A 51 GLN H 1.0 1.8 3.86 358 358 A 51 GLN H A 48 THR HG2% 1.0 1.8 5.35 359 359 A 38 LEU HD1% A 51 GLN H 1.0 1.8 6.05 360 360 A 38 LEU HD2% A 51 GLN H 1.0 1.8 6.05 361 361 A 51 GLN H A 48 THR HA 1.0 1.8 4.39 362 362 A 51 GLN H A 50 TYR HBy 1.0 1.8 4.63 363 363 A 51 GLN H A 50 TYR HBx 1.0 1.8 4.63 364 364 A 51 GLN H A 52 GLU HA 1.0 1.8 5.98 365 365 A 50 TYR H A 51 GLN H 1.0 1.8 4.26 366 366 A 52 GLU H A 51 GLN H 1.0 1.8 4.11 367 367 A 51 GLN H A 49 GLU H 1.0 1.8 5.54 368 368 A 54 LEU H A 51 GLN H 1.0 1.8 6.05 369 369 A 21 GLN H A 32 GLN H 1.0 1.8 4.35 370 370 A 21 GLN H A 34 MET H 1.0 1.8 4.93 371 371 A 21 GLN H A 20 VAL HA 1.0 1.8 3.50 372 372 A 21 GLN H A 31 LEU HA 1.0 1.8 5.33 373 373 A 21 GLN H A 33 VAL HA 1.0 1.8 5.08 374 374 A 21 GLN H A 32 GLN HBy 1.0 1.8 4.69 375 375 A 20 VAL HB A 21 GLN H 1.0 1.8 4.23 376 376 A 32 GLN HBx A 21 GLN H 1.0 1.8 5.50 377 377 A 57 VAL HG1% A 21 GLN H 1.0 1.8 6.05 378 378 A 57 VAL HG2% A 21 GLN H 1.0 1.8 6.05 379 379 A 97 ALA HB% A 100 TRP H 1.0 1.8 5.62 380 380 A 101 ILE HD1% A 100 TRP H 1.0 1.8 5.02 381 381 A 55 ASP H A 53 HIS H 1.0 1.8 5.38 382 382 A 55 ASP H A 57 VAL H 1.0 1.8 5.89 383 383 A 55 ASP H A 52 GLU HA 1.0 1.8 4.41 384 384 A 51 GLN HA A 55 ASP H 1.0 1.8 5.16 385 385 A 55 ASP H A 55 ASP HBy 1.0 1.8 4.04 386 386 A 55 ASP H A 55 ASP HBx 1.0 1.8 4.04 387 387 A 55 ASP H A 54 LEU HBy 1.0 1.8 4.37 388 388 A 25 THR H A 29 ILE HD1% 1.0 1.8 5.59 389 389 A 55 ASP H A 54 LEU HD2% 1.0 1.8 6.05 390 390 A 104 GLU H A 104 GLU HBx 1.0 1.8 3.95 391 391 A 104 GLU H A 103 LEU HBx 1.0 1.8 5.08 392 392 A 5 GLU H A 6 LEU H 1.0 1.8 3.99 393 393 A 2 THR H A 5 GLU H 1.0 1.8 4.77 394 394 A 3 GLY H A 5 GLU H 1.0 1.8 5.36 395 395 A 2 THR HB A 5 GLU H 1.0 1.8 4.72 396 396 A 5 GLU H A 4 GLN HBy 1.0 1.8 4.37 397 397 A 5 GLU H A 4 GLN HBx 1.0 1.8 4.37 398 398 A 5 GLU H A 2 THR HG2% 1.0 1.8 4.95 399 399 A 38 LEU H A 17 SER HBy 1.0 1.8 5.25 400 400 A 38 LEU H A 17 SER HBx 1.0 1.8 5.25 401 401 A 38 LEU H A 16 TYR HBx 1.0 1.8 6.05 402 402 A 38 LEU H A 38 LEU HG 1.0 1.8 5.10 403 403 A 38 LEU H A 38 LEU HBy 1.0 1.8 4.49 404 404 A 9 LEU HD1% A 12 ASP H 1.0 1.8 5.59 405 405 A 29 ILE HD1% A 22 PHE H 1.0 1.8 5.93 406 406 A 57 VAL HG2% A 22 PHE H 1.0 1.8 6.05 407 407 A 11 LEU HBx A 12 ASP H 1.0 1.8 4.11 408 408 A 12 ASP H A 11 LEU HBy 1.0 1.8 4.09 409 409 A 22 PHE H A 21 GLN HBx 1.0 1.8 4.79 410 410 A 12 ASP H A 11 LEU HG 1.0 1.8 5.38 411 411 A 12 ASP H A 12 ASP HBx 1.0 1.8 3.87 412 412 A 22 PHE H A 21 GLN HBy 1.0 1.8 4.79 413 413 A 22 PHE H A 22 PHE HBy 1.0 1.8 3.96 414 414 A 21 GLN HA A 22 PHE H 1.0 1.8 3.84 415 415 A 12 ASP H A 11 LEU H 1.0 1.8 3.97 416 416 A 22 PHE H A 22 PHE HD% 1.0 1.8 4.40 417 417 A 87 VAL H A 88 SER H 1.0 1.8 5.08 418 418 A 87 VAL H A 86 ALA H 1.0 1.8 5.27 419 419 A 86 ALA HA A 87 VAL H 1.0 1.8 3.69 420 420 A 33 VAL HA A 87 VAL H 1.0 1.8 5.64 421 421 A 86 ALA HB% A 87 VAL H 1.0 1.8 3.69 422 422 A 81 PRO HBx A 87 VAL H 1.0 1.8 4.71 423 423 A 87 VAL H A 33 VAL HG2% 1.0 1.8 4.88 424 424 A 33 VAL HG1% A 87 VAL H 1.0 1.8 4.89 425 425 A 98 SER HA A 99 GLU H 1.0 1.8 3.89 426 426 A 40 GLN H A 41 ALA H 1.0 1.8 5.25 427 427 A 40 GLN H A 43 PHE H 1.0 1.8 5.67 428 428 A 40 GLN H A 37 TYR HE% 1.0 1.8 5.31 429 429 A 40 GLN H A 40 GLN HBy 1.0 1.8 4.04 430 430 A 40 GLN H A 40 GLN HBx 1.0 1.8 4.04 431 431 A 54 LEU H A 54 LEU HG 1.0 1.8 4.06 432 432 A 54 LEU H A 54 LEU HBy 1.0 1.8 4.30 433 433 A 51 GLN HA A 54 LEU H 1.0 1.8 4.57 434 434 A 54 LEU H A 53 HIS HBx 1.0 1.8 5.14 435 435 A 28 LYS HA A 29 ILE H 1.0 1.8 3.32 436 436 A 28 LYS HBy A 29 ILE H 1.0 1.8 4.35 437 437 A 29 ILE H A 28 LYS HBx 1.0 1.8 3.53 438 438 A 28 LYS HGx A 29 ILE H 1.0 1.8 5.13 439 439 A 29 ILE H A 28 LYS HGy 1.0 1.8 4.75 440 440 A 28 LYS HBy A 28 LYS H 1.0 1.8 3.60 441 441 A 25 THR HG2% A 28 LYS H 1.0 1.8 4.85 442 442 A 26 GLN HBx A 28 LYS H 1.0 1.8 5.22 443 443 A 26 GLN HBy A 28 LYS H 1.0 1.8 5.14 444 444 A 28 LYS H A 26 GLN HGx 1.0 1.8 6.05 445 445 A 28 LYS H A 26 GLN HGy 1.0 1.8 6.05 446 446 A 28 LYS H A 26 GLN HA 1.0 1.8 4.98 447 447 A 24 ARG HA A 28 LYS H 1.0 1.8 5.06 448 448 A 30 PHE HE% A 28 LYS H 1.0 1.8 4.88 449 449 A 25 THR H A 28 LYS H 1.0 1.8 4.00 450 450 A 28 LYS H A 26 GLN H 1.0 1.8 5.27 451 451 A 72 THR H A 73 PHE H 1.0 1.8 4.07 452 452 A 74 ILE H A 73 PHE H 1.0 1.8 4.13 453 453 A 70 VAL H A 69 GLN H 1.0 1.8 4.00 454 454 A 66 GLY HAy A 69 GLN H 1.0 1.8 5.10 455 455 A 72 THR HB A 73 PHE H 1.0 1.8 3.75 456 456 A 73 PHE HBx A 73 PHE H 1.0 1.8 3.84 457 457 A 69 GLN H A 68 VAL HB 1.0 1.8 3.63 458 458 A 69 GLN H A 68 VAL HG2% 1.0 1.8 4.36 459 459 A 68 VAL HG1% A 69 GLN H 1.0 1.8 4.14 460 460 A 70 VAL HG1% A 73 PHE H 1.0 1.8 5.20 461 461 A 73 PHE H A 89 ILE HG2% 1.0 1.8 4.85 462 462 A 91 LEU H A 90 PRO HBy 1.0 1.8 4.46 463 463 A 91 LEU H A 90 PRO HBx 1.0 1.8 4.46 464 464 A 91 LEU HD2% A 91 LEU H 1.0 1.8 4.23 465 465 A 91 LEU H A 90 PRO HA 1.0 1.8 3.48 466 466 A 91 LEU H A 30 PHE HA 1.0 1.8 4.27 467 467 A 30 PHE HD% A 91 LEU H 1.0 1.8 5.83 468 468 A 92 ASP H A 91 LEU H 1.0 1.8 5.21 469 469 A 91 LEU H A 31 LEU H 1.0 1.8 5.03 470 470 A 32 GLN H A 23 ARG H 1.0 1.8 4.94 471 471 A 23 ARG H A 24 ARG H 1.0 1.8 5.13 472 472 A 22 PHE HD% A 23 ARG H 1.0 1.8 4.68 473 473 A 23 ARG H A 22 PHE HA 1.0 1.8 3.66 474 474 A 23 ARG H A 22 PHE HBx 1.0 1.8 4.16 475 475 A 23 ARG H A 30 PHE HBy 1.0 1.8 5.08 476 476 A 23 ARG H A 32 GLN HGx 1.0 1.8 6.05 477 477 A 29 ILE HD1% A 23 ARG H 1.0 1.8 5.30 478 478 A 23 ARG H A 31 LEU HD1% 1.0 1.8 5.63 479 479 A 58 ALA H A 57 VAL HB 1.0 1.8 3.96 480 480 A 58 ALA H A 6 LEU HD2% 1.0 1.8 4.14 481 481 A 58 ALA H A 57 VAL HG1% 1.0 1.8 3.83 482 482 A 58 ALA H A 54 LEU HA 1.0 1.8 4.74 483 483 A 58 ALA H A 59 ASN HBy 1.0 1.8 5.93 484 484 A 58 ALA H A 59 ASN HBx 1.0 1.8 5.93 485 485 A 55 ASP HA A 58 ALA H 1.0 1.8 4.71 486 486 A 56 SER HBx A 58 ALA H 1.0 1.8 5.96 487 487 A 58 ALA H A 59 ASN H 1.0 1.8 3.88 488 488 A 58 ALA H A 57 VAL H 1.0 1.8 4.04 489 489 A 79 GLU H A 79 GLU HGy 1.0 1.8 4.21 490 490 A 79 GLU H A 79 GLU HBy 1.0 1.8 3.74 491 491 A 77 THR HG2% A 79 GLU H 1.0 1.8 3.88 492 492 A 87 VAL HG1% A 79 GLU H 1.0 1.8 5.42 493 493 A 87 VAL HG2% A 79 GLU H 1.0 1.8 5.79 494 494 A 95 GLU H A 95 GLU HBx 1.0 1.8 4.02 495 495 A 95 GLU H A 94 GLY HAy 1.0 1.8 3.28 496 496 A 50 TYR H A 50 TYR HD% 1.0 1.8 5.09 497 497 A 50 TYR H A 47 GLU HA 1.0 1.8 5.01 498 498 A 50 TYR H A 48 THR HA 1.0 1.8 5.52 499 499 A 50 TYR H A 50 TYR HBy 1.0 1.8 4.21 500 500 A 50 TYR H A 50 TYR HBx 1.0 1.8 4.21 501 501 A 50 TYR H A 49 GLU HBy 1.0 1.8 4.55 502 502 A 50 TYR H A 49 GLU HBx 1.0 1.8 4.55 503 503 A 38 LEU HD1% A 50 TYR H 1.0 1.8 4.75 504 504 A 38 LEU HD2% A 50 TYR H 1.0 1.8 5.33 505 505 A 6 LEU H A 6 LEU HBy 1.0 1.8 3.87 506 506 A 6 LEU H A 1 MET HGx 1.0 1.8 4.83 507 507 A 6 LEU H A 5 GLU HBy 1.0 1.8 4.39 508 508 A 6 LEU H A 1 MET HGy 1.0 1.8 4.83 509 509 A 6 LEU H A 6 LEU HBx 1.0 1.8 3.87 510 510 A 58 ALA HB% A 6 LEU H 1.0 1.8 4.57 511 511 A 6 LEU H A 3 GLY HAy 1.0 1.8 5.01 512 512 A 3 GLY H A 4 GLN H 1.0 1.8 4.03 513 513 A 50 TYR H A 49 GLU H 1.0 1.8 4.13 514 514 A 5 GLU H A 4 GLN H 1.0 1.8 4.03 515 515 A 2 THR HB A 4 GLN H 1.0 1.8 4.00 516 516 A 4 GLN H A 2 THR HA 1.0 1.8 4.52 517 517 A 48 THR HB A 49 GLU H 1.0 1.8 3.92 518 518 A 4 GLN H A 4 GLN HGy 1.0 1.8 5.72 519 519 A 4 GLN H A 4 GLN HGx 1.0 1.8 5.72 520 520 A 58 ALA HB% A 4 GLN H 1.0 1.8 4.92 521 521 A 48 THR HG2% A 49 GLU H 1.0 1.8 4.03 522 522 A 83 LEU H A 83 LEU HBx 1.0 1.8 3.56 523 523 A 83 LEU H A 82 ARG HBx 1.0 1.8 3.87 524 524 A 83 LEU H A 82 ARG HA 1.0 1.8 3.43 525 525 A 102 ILE H A 103 LEU H 1.0 1.8 4.83 526 526 A 97 ALA HB% A 97 ALA H 1.0 1.8 3.23 527 527 A 97 ALA H A 96 ARG HBy 1.0 1.8 4.51 528 528 A 97 ALA H A 96 ARG HBx 1.0 1.8 4.51 529 529 A 97 ALA H A 93 LEU HBx 1.0 1.8 4.63 530 530 A 93 LEU HD1% A 97 ALA H 1.0 1.8 6.05 531 531 A 93 LEU HD2% A 97 ALA H 1.0 1.8 5.39 532 532 A 98 SER H A 97 ALA H 1.0 1.8 3.88 533 533 A 31 LEU H A 89 ILE H 1.0 1.8 4.41 534 534 A 30 PHE HD% A 31 LEU H 1.0 1.8 5.04 535 535 A 90 PRO HA A 31 LEU H 1.0 1.8 5.08 536 536 A 31 LEU H A 30 PHE HBx 1.0 1.8 4.26 537 537 A 31 LEU H A 89 ILE HB 1.0 1.8 4.39 538 538 A 31 LEU H A 31 LEU HBx 1.0 1.8 4.19 539 539 A 31 LEU H A 31 LEU HBy 1.0 1.8 4.32 540 540 A 31 LEU H A 29 ILE HG2% 1.0 1.8 5.64 541 541 A 91 LEU HD2% A 31 LEU H 1.0 1.8 4.72 542 542 A 89 ILE HG2% A 31 LEU H 1.0 1.8 5.05 543 543 A 23 ARG HBy A 30 PHE H 1.0 1.8 5.18 544 544 A 30 PHE H A 23 ARG HBx 1.0 1.8 4.50 545 545 A 30 PHE H A 29 ILE HG1y 1.0 1.8 5.10 546 546 A 30 PHE H A 29 ILE HG1x 1.0 1.8 5.10 547 547 A 29 ILE HD1% A 30 PHE H 1.0 1.8 4.65 548 548 A 24 ARG HA A 30 PHE H 1.0 1.8 4.61 549 549 A 29 ILE HA A 30 PHE H 1.0 1.8 3.62 550 550 A 30 PHE HD% A 30 PHE H 1.0 1.8 4.35 551 551 A 23 ARG H A 30 PHE H 1.0 1.8 4.29 552 552 A 33 VAL HG1% A 34 MET H 1.0 1.8 3.96 553 553 A 34 MET H A 34 MET HGx 1.0 1.8 4.46 554 554 A 34 MET H A 20 VAL HA 1.0 1.8 4.54 555 555 A 92 ASP H A 91 LEU HA 1.0 1.8 3.54 556 556 A 92 ASP H A 91 LEU HBy 1.0 1.8 4.57 557 557 A 92 ASP H A 91 LEU HBx 1.0 1.8 4.57 558 558 A 93 LEU HD2% A 92 ASP H 1.0 1.8 4.83 559 559 A 93 LEU HD1% A 92 ASP H 1.0 1.8 6.05 560 560 A 63 ALA H A 63 ALA HB% 1.0 1.8 3.27 561 561 A 63 ALA H A 62 HIS HBy 1.0 1.8 4.42 562 562 A 63 ALA H A 62 HIS HBx 1.0 1.8 4.42 563 563 A 63 ALA H A 59 ASN HA 1.0 1.8 5.37 564 564 A 63 ALA H A 62 HIS H 1.0 1.8 3.88 565 565 A 64 LEU H A 63 ALA H 1.0 1.8 4.04 566 566 A 60 TYR H A 22 PHE HE% 1.0 1.8 5.64 567 567 A 60 TYR H A 22 PHE HZ 1.0 1.8 6.05 568 568 A 60 TYR H A 57 VAL HA 1.0 1.8 5.04 569 569 A 60 TYR H A 58 ALA HA 1.0 1.8 5.43 570 570 A 58 ALA HB% A 60 TYR H 1.0 1.8 5.75 571 571 A 60 TYR H A 63 ALA HB% 1.0 1.8 6.05 572 572 A 57 VAL HG1% A 60 TYR H 1.0 1.8 5.27 573 573 A 67 ALA H A 68 VAL HB 1.0 1.8 5.80 574 574 A 69 GLN HBx A 67 ALA H 1.0 1.8 6.05 575 575 A 61 LEU HBy A 67 ALA H 1.0 1.8 5.07 576 576 A 67 ALA H A 1 MET HE% 1.0 1.8 5.83 577 577 A 67 ALA HB% A 67 ALA H 1.0 1.8 3.28 578 578 A 61 LEU HBx A 67 ALA H 1.0 1.8 4.92 579 579 A 67 ALA H A 68 VAL HG2% 1.0 1.8 4.88 580 580 A 61 LEU HD2% A 67 ALA H 1.0 1.8 4.95 581 581 A 61 LEU HD1% A 67 ALA H 1.0 1.8 5.35 582 582 A 91 LEU HD2% A 67 ALA H 1.0 1.8 6.05 583 583 A 93 LEU HD2% A 67 ALA H 1.0 1.8 6.05 584 584 A 65 GLY H A 67 ALA H 1.0 1.8 5.01 585 585 A 92 ASP H A 93 LEU H 1.0 1.8 4.72 586 586 A 94 GLY HAx A 93 LEU H 1.0 1.8 5.61 587 587 A 94 GLY HAy A 93 LEU H 1.0 1.8 6.05 588 588 A 92 ASP HBx A 93 LEU H 1.0 1.8 4.73 589 589 A 103 LEU H A 103 LEU HBx 1.0 1.8 4.60 590 590 A 103 LEU H A 101 ILE HG2% 1.0 1.8 4.88 591 591 A 104 GLU H A 103 LEU H 1.0 1.8 4.54 592 592 A 85 LYS H A 86 ALA H 1.0 1.8 4.68 593 593 A 85 LYS H A 35 TRP HE3 1.0 1.8 4.44 594 594 A 85 LYS H A 83 LEU HA 1.0 1.8 4.46 595 595 A 87 VAL HG1% A 88 SER H 1.0 1.8 3.83 596 596 A 87 VAL HG2% A 88 SER H 1.0 1.8 4.69 597 597 A 86 ALA HB% A 88 SER H 1.0 1.8 5.22 598 598 A 32 GLN HGy A 88 SER H 1.0 1.8 5.49 599 599 A 88 SER H A 87 VAL HB 1.0 1.8 4.87 600 600 A 88 SER H A 87 VAL HA 1.0 1.8 3.23 601 601 A 86 ALA HA A 88 SER H 1.0 1.8 6.05 602 602 A 87 VAL H A 33 VAL H 1.0 1.8 4.33 603 603 A 32 GLN H A 22 PHE HD% 1.0 1.8 6.05 604 604 A 32 GLN H A 31 LEU HA 1.0 1.8 3.69 605 605 A 25 THR HA A 26 GLN H 1.0 1.8 3.27 606 606 A 26 GLN H A 25 THR HB 1.0 1.8 4.58 607 607 A 26 GLN HBy A 26 GLN H 1.0 1.8 4.27 608 608 A 32 GLN H A 32 GLN HGx 1.0 1.8 4.23 609 609 A 33 VAL H A 33 VAL HB 1.0 1.8 4.03 610 610 A 20 VAL HB A 32 GLN H 1.0 1.8 5.58 611 611 A 32 GLN HBx A 33 VAL H 1.0 1.8 4.95 612 612 A 86 ALA HB% A 33 VAL H 1.0 1.8 4.33 613 613 A 32 GLN H A 31 LEU HG 1.0 1.8 4.10 614 614 A 33 VAL HG2% A 33 VAL H 1.0 1.8 3.86 615 615 A 87 VAL HG2% A 33 VAL H 1.0 1.8 4.77 616 616 A 78 LYS H A 78 LYS HBx 1.0 1.8 4.26 617 617 A 78 LYS H A 77 THR HA 1.0 1.8 3.50 618 618 A 78 LYS H A 77 THR HB 1.0 1.8 4.73 619 619 A 24 ARG H A 23 ARG HGx 1.0 1.8 4.73 620 620 A 24 ARG H A 24 ARG HBx 1.0 1.8 4.16 621 621 A 42 SER H A 41 ALA H 1.0 1.8 4.08 622 622 A 41 ALA H A 40 GLN HBy 1.0 1.8 5.01 623 623 A 41 ALA H A 40 GLN HBx 1.0 1.8 5.01 624 624 A 41 ALA HB% A 41 ALA H 1.0 1.8 3.17 625 625 A 41 ALA H A 40 GLN HGx 1.0 1.8 5.57 626 626 A 89 ILE H A 32 GLN HA 1.0 1.8 4.65 627 627 A 89 ILE H A 30 PHE HBx 1.0 1.8 5.12 628 628 A 89 ILE H A 89 ILE HG1y 1.0 1.8 4.79 629 629 A 89 ILE H A 31 LEU HG 1.0 1.8 5.74 630 630 A 89 ILE H A 89 ILE HD1% 1.0 1.8 4.39 631 631 A 89 ILE H A 31 LEU HD2% 1.0 1.8 5.35 632 632 A 32 GLN H A 89 ILE H 1.0 1.8 5.49 633 633 A 89 ILE H A 33 VAL H 1.0 1.8 6.05 634 634 A 43 PHE H A 43 PHE HE% 1.0 1.8 6.05 635 635 A 43 PHE H A 41 ALA HA 1.0 1.8 4.81 636 636 A 43 PHE H A 42 SER HBy 1.0 1.8 5.07 637 637 A 43 PHE H A 43 PHE HBy 1.0 1.8 3.77 638 638 A 43 PHE H A 43 PHE HBx 1.0 1.8 3.77 639 639 A 43 PHE H A 40 GLN HBy 1.0 1.8 4.64 640 640 A 43 PHE H A 40 GLN HBx 1.0 1.8 4.64 641 641 A 41 ALA HB% A 43 PHE H 1.0 1.8 5.15 642 642 A 35 TRP HE3 A 86 ALA H 1.0 1.8 4.86 643 643 A 86 ALA H A 85 LYS HBy 1.0 1.8 5.07 644 644 A 86 ALA HB% A 86 ALA H 1.0 1.8 3.31 645 645 A 87 VAL HG2% A 14 TRP HE1 1.0 1.8 5.05 646 646 A 77 THR HG2% A 14 TRP HE1 1.0 1.8 5.08 647 647 A 14 TRP HE1 A 80 ARG HGx 1.0 1.8 4.88 648 648 A 14 TRP HE1 A 80 ARG HGy 1.0 1.8 4.88 649 649 A 14 TRP HE1 A 81 PRO HDx 1.0 1.8 4.37 650 650 A 14 TRP HE1 A 81 PRO HDy 1.0 1.8 5.16 651 651 A 14 TRP HE1 A 80 ARG HA 1.0 1.8 3.93 652 652 A 14 TRP HE1 A 14 TRP HA 1.0 1.8 5.41 653 653 A 35 TRP HE1 A 83 LEU HD1% 1.0 1.8 3.99 654 654 A 35 TRP HE1 A 36 LYS HGx 1.0 1.8 5.56 655 655 A 35 TRP HE1 A 36 LYS HGy 1.0 1.8 5.56 656 656 A 83 LEU HA A 35 TRP HE1 1.0 1.8 5.37 657 657 A 35 TRP HE1 A 36 LYS HEx 1.0 1.8 5.13 658 658 A 35 TRP HE1 A 36 LYS HDx 1.0 1.8 6.05 659 659 A 35 TRP HE1 A 36 LYS HDy 1.0 1.8 6.05 660 660 A 82 ARG HE A 82 ARG HGy 1.0 1.8 4.60 661 661 A 82 ARG HE A 82 ARG HGx 1.0 1.8 4.60 662 662 A 48 THR H A 46 ASN HBx 1.0 1.8 5.32 663 663 A 2 THR H A 4 GLN H 1.0 1.8 5.68 664 664 A 47 GLU H A 49 GLU H 1.0 1.8 6.05 665 665 A 46 ASN H A 47 GLU H 1.0 1.8 5.21 666 666 A 32 GLN H A 31 LEU H 1.0 1.8 5.28 667 667 A 36 LYS H A 35 TRP H 1.0 1.8 4.49 668 668 A 60 TYR H A 59 ASN HD21 1.0 1.8 5.78 669 669 A 60 TYR H A 59 ASN HD22 1.0 1.8 5.78 670 670 A 59 ASN HD21 A 56 SER HA 1.0 1.8 4.71 671 671 A 59 ASN HA A 59 ASN HD21 1.0 1.8 5.36 672 672 A 59 ASN HA A 59 ASN HD22 1.0 1.8 5.53 673 673 A 59 ASN HD22 A 56 SER HA 1.0 1.8 5.57 674 674 A 104 GLU H A 103 LEU HA 1.0 1.8 3.63 675 675 A 94 GLY H A 94 GLY HAy 1.0 1.8 3.20 676 676 A 47 GLU H A 46 ASN HA 1.0 1.8 3.75 677 677 A 25 THR H A 25 THR HB 1.0 1.8 4.43 678 678 A 57 VAL H A 57 VAL HB 1.0 1.8 3.99 679 679 A 58 ALA HB% A 58 ALA H 1.0 1.8 3.38 680 680 A 68 VAL H A 68 VAL HB 1.0 1.8 3.38 681 681 A 69 GLN HBx A 70 VAL H 1.0 1.8 3.60 682 682 A 70 VAL HB A 70 VAL H 1.0 1.8 3.93 683 683 A 72 THR H A 72 THR HB 1.0 1.8 3.73 684 684 A 87 VAL H A 33 VAL HB 1.0 1.8 4.00 685 685 A 87 VAL H A 87 VAL HB 1.0 1.8 4.32 686 686 A 89 ILE H A 89 ILE HB 1.0 1.8 4.20 687 687 A 8 GLN H A 8 GLN HBy 1.0 1.8 4.00 688 688 A 9 LEU HBy A 9 LEU H 1.0 1.8 3.58 689 689 A 12 ASP H A 12 ASP HBy 1.0 1.8 3.87 690 690 A 19 ASP H A 19 ASP HBy 1.0 1.8 4.50 691 691 A 21 GLN H A 21 GLN HGy 1.0 1.8 5.15 692 692 A 24 ARG H A 24 ARG HBy 1.0 1.8 4.16 693 693 A 32 GLN H A 32 GLN HBy 1.0 1.8 4.06 694 694 A 42 SER H A 42 SER HBy 1.0 1.8 4.20 695 695 A 51 GLN H A 51 GLN HBy 1.0 1.8 3.79 696 696 A 60 TYR H A 60 TYR HBy 1.0 1.8 4.07 697 697 A 61 LEU H A 61 LEU HBy 1.0 1.8 3.83 698 698 A 78 LYS H A 78 LYS HBy 1.0 1.8 4.26 699 699 A 79 GLU HBx A 79 GLU H 1.0 1.8 4.13 700 700 A 80 ARG H A 80 ARG HBy 1.0 1.8 4.43 701 701 A 82 ARG H A 82 ARG HBx 1.0 1.8 4.07 702 702 A 83 LEU H A 83 LEU HBy 1.0 1.8 3.56 703 703 A 88 SER HBy A 88 SER H 1.0 1.8 3.69 704 704 A 91 LEU H A 91 LEU HBy 1.0 1.8 4.36 705 705 A 91 LEU H A 91 LEU HG 1.0 1.8 4.33 706 706 A 93 LEU HBy A 93 LEU H 1.0 1.8 3.54 707 707 A 98 SER H A 98 SER HBy 1.0 1.8 3.79 708 708 A 100 TRP H A 100 TRP HBy 1.0 1.8 4.16 709 709 A 103 LEU H A 103 LEU HBy 1.0 1.8 4.60 710 710 A 13 LYS H A 13 LYS HBy 1.0 1.8 4.17 711 711 A 13 LYS HBx A 13 LYS H 1.0 1.8 4.31 712 712 A 14 TRP H A 14 TRP HBy 1.0 1.8 4.59 713 713 A 23 ARG H A 23 ARG HBy 1.0 1.8 4.39 714 714 A 28 LYS HDx A 28 LYS H 1.0 1.8 3.93 715 715 A 36 LYS H A 36 LYS HBx 1.0 1.8 4.19 716 716 A 38 LEU H A 38 LEU HBx 1.0 1.8 4.49 717 717 A 42 SER H A 42 SER HBx 1.0 1.8 4.20 718 718 A 45 MET H A 45 MET HBy 1.0 1.8 4.17 719 719 A 47 GLU H A 47 GLU HBy 1.0 1.8 4.22 720 720 A 4 GLN H A 4 GLN HBx 1.0 1.8 3.99 721 721 A 53 HIS H A 53 HIS HBx 1.0 1.8 4.03 722 722 A 54 LEU H A 54 LEU HBx 1.0 1.8 4.30 723 723 A 60 TYR H A 60 TYR HBx 1.0 1.8 4.07 724 724 A 62 HIS H A 62 HIS HBx 1.0 1.8 3.90 725 725 A 64 LEU H A 63 ALA HB% 1.0 1.8 3.75 726 726 A 64 LEU H A 64 LEU HBy 1.0 1.8 3.96 727 727 A 82 ARG H A 82 ARG HBy 1.0 1.8 3.76 728 728 A 85 LYS H A 85 LYS HBx 1.0 1.8 3.81 729 729 A 88 SER H A 88 SER HBx 1.0 1.8 3.89 730 730 A 91 LEU H A 91 LEU HBx 1.0 1.8 4.36 731 731 A 96 ARG H A 96 ARG HBx 1.0 1.8 4.19 732 732 A 98 SER H A 98 SER HBx 1.0 1.8 3.79 733 733 A 100 TRP H A 100 TRP HBx 1.0 1.8 4.16 734 734 A 7 ARG H A 6 LEU H 1.0 1.8 3.73 735 735 A 8 GLN H A 9 LEU H 1.0 1.8 3.81 736 736 A 20 VAL H A 19 ASP H 1.0 1.8 5.21 737 737 A 25 THR H A 26 GLN H 1.0 1.8 5.20 738 738 A 27 GLY H A 28 LYS H 1.0 1.8 3.58 739 739 A 29 ILE H A 28 LYS H 1.0 1.8 4.94 740 740 A 29 ILE H A 30 PHE H 1.0 1.8 5.04 741 741 A 88 SER H A 33 VAL H 1.0 1.8 6.05 742 742 A 34 MET H A 33 VAL H 1.0 1.8 5.52 743 743 A 55 ASP H A 54 LEU H 1.0 1.8 4.06 744 744 A 64 LEU H A 65 GLY H 1.0 1.8 3.94 745 745 A 66 GLY H A 67 ALA H 1.0 1.8 3.62 746 746 A 68 VAL H A 69 GLN H 1.0 1.8 3.77 747 747 A 70 VAL H A 71 LYS H 1.0 1.8 3.95 748 748 A 76 GLN H A 77 THR H 1.0 1.8 3.62 749 749 A 80 ARG H A 79 GLU H 1.0 1.8 5.02 750 750 A 94 GLY H A 93 LEU H 1.0 1.8 4.02 751 751 A 96 ARG H A 97 ALA H 1.0 1.8 3.76 752 752 A 100 TRP H A 99 GLU H 1.0 1.8 3.98 753 753 A 2 THR H A 1 MET HA 1.0 1.8 3.73 754 754 A 18 TYR H A 17 SER HA 1.0 1.8 3.73 755 755 A 24 ARG H A 23 ARG HA 1.0 1.8 3.42 756 756 A 27 GLY H A 26 GLN HA 1.0 1.8 3.75 757 757 A 30 PHE HA A 31 LEU H 1.0 1.8 3.69 758 758 A 33 VAL H A 32 GLN HA 1.0 1.8 3.54 759 759 A 34 MET H A 33 VAL HA 1.0 1.8 3.69 760 760 A 41 ALA H A 40 GLN HA 1.0 1.8 3.36 761 761 A 46 ASN H A 45 MET HA 1.0 1.8 3.60 762 762 A 70 VAL HA A 73 PHE H 1.0 1.8 4.75 763 763 A 68 VAL HA A 71 LYS H 1.0 1.8 4.36 764 764 A 80 ARG H A 79 GLU HA 1.0 1.8 3.26 765 765 A 82 ARG H A 81 PRO HA 1.0 1.8 3.34 766 766 A 92 ASP HA A 93 LEU H 1.0 1.8 3.45 767 767 A 94 GLY H A 93 LEU HA 1.0 1.8 3.69 768 768 A 6 LEU HG A 6 LEU H 1.0 1.8 5.08 769 769 A 31 LEU H A 31 LEU HG 1.0 1.8 5.19 770 770 A 61 LEU H A 61 LEU HG 1.0 1.8 3.84 771 771 A 83 LEU H A 83 LEU HG 1.0 1.8 4.84 772 772 A 93 LEU H A 93 LEU HG 1.0 1.8 3.75 773 773 A 5 GLU H A 5 GLU HGy 1.0 1.8 4.19 774 774 A 8 GLN H A 8 GLN HGy 1.0 1.8 4.53 775 775 A 23 ARG H A 23 ARG HBx 1.0 1.8 4.11 776 776 A 29 ILE H A 29 ILE HG2% 1.0 1.8 4.02 777 777 A 34 MET H A 34 MET HGy 1.0 1.8 4.46 778 778 A 49 GLU H A 49 GLU HGy 1.0 1.8 4.29 779 779 A 69 GLN HGx A 69 GLN H 1.0 1.8 4.07 780 780 A 70 VAL HG2% A 70 VAL H 1.0 1.8 3.61 781 781 A 71 LYS H A 71 LYS HGy 1.0 1.8 4.79 782 782 A 72 THR HG2% A 72 THR H 1.0 1.8 4.21 783 783 A 74 ILE HG2% A 74 ILE H 1.0 1.8 4.18 784 784 A 77 THR HG2% A 78 LYS H 1.0 1.8 4.36 785 785 A 85 LYS H A 85 LYS HGx 1.0 1.8 5.83 786 786 A 85 LYS H A 85 LYS HGy 1.0 1.8 5.83 787 787 A 87 VAL HG2% A 87 VAL H 1.0 1.8 3.87 788 788 A 99 GLU H A 99 GLU HGy 1.0 1.8 4.17 789 789 A 101 ILE HD1% A 101 ILE H 1.0 1.8 4.52 790 790 A 104 GLU H A 104 GLU HGy 1.0 1.8 4.25 791 791 A 5 GLU H A 5 GLU HBy 1.0 1.8 4.00 792 792 A 5 GLU H A 5 GLU HGx 1.0 1.8 4.19 793 793 A 7 ARG H A 7 ARG HGy 1.0 1.8 5.54 794 794 A 13 LYS H A 13 LYS HGx 1.0 1.8 5.37 795 795 A 23 ARG H A 23 ARG HGx 1.0 1.8 5.56 796 796 A 24 ARG H A 24 ARG HGx 1.0 1.8 5.13 797 797 A 24 ARG H A 24 ARG HGy 1.0 1.8 5.13 798 798 A 28 LYS HGy A 28 LYS H 1.0 1.8 4.64 799 799 A 32 GLN HGy A 32 GLN H 1.0 1.8 4.57 800 800 A 32 GLN HGy A 33 VAL H 1.0 1.8 4.83 801 801 A 36 LYS H A 36 LYS HGx 1.0 1.8 4.74 802 802 A 45 MET H A 45 MET HGx 1.0 1.8 4.98 803 803 A 69 GLN H A 69 GLN HGy 1.0 1.8 3.89 804 804 A 80 ARG H A 80 ARG HGx 1.0 1.8 5.08 805 805 A 79 GLU H A 79 GLU HGx 1.0 1.8 4.21 806 806 A 96 ARG H A 96 ARG HGx 1.0 1.8 4.03 807 807 A 99 GLU H A 99 GLU HGx 1.0 1.8 4.17 808 808 A 104 GLU H A 104 GLU HGx 1.0 1.8 4.25 809 809 A 10 LEU H A 10 LEU HD2% 1.0 1.8 3.79 810 810 A 37 TYR HD% A 37 TYR H 1.0 1.8 4.38 811 811 A 54 LEU HD1% A 54 LEU H 1.0 1.8 4.39 812 812 A 61 LEU H A 61 LEU HD1% 1.0 1.8 4.22 813 813 A 64 LEU H A 64 LEU HD1% 1.0 1.8 4.57 814 814 A 91 LEU H A 29 ILE HG2% 1.0 1.8 4.23 815 815 A 93 LEU HD1% A 93 LEU H 1.0 1.8 4.33 816 816 A 7 ARG H A 7 ARG HDy 1.0 1.8 6.05 817 817 A 7 ARG H A 7 ARG HDx 1.0 1.8 6.05 818 818 A 9 LEU HD2% A 9 LEU H 1.0 1.8 6.05 819 819 A 11 LEU HD2% A 11 LEU H 1.0 1.8 4.64 820 820 A 31 LEU H A 31 LEU HD2% 1.0 1.8 5.10 821 821 A 54 LEU H A 54 LEU HD2% 1.0 1.8 4.40 822 822 A 61 LEU H A 61 LEU HD2% 1.0 1.8 4.31 823 823 A 71 LYS HDy A 71 LYS H 1.0 1.8 4.73 824 824 A 83 LEU H A 83 LEU HD2% 1.0 1.8 5.56 825 825 A 93 LEU HD2% A 93 LEU H 1.0 1.8 4.18 826 826 A 85 LYS H A 85 LYS HBy 1.0 1.8 3.81 827 827 A 96 ARG H A 96 ARG HDy 1.0 1.8 6.05 828 828 A 96 ARG H A 96 ARG HDx 1.0 1.8 6.05 829 829 A 74 ILE HG1x A 74 ILE H 1.0 1.8 4.15 830 830 A 74 ILE H A 74 ILE HG1y 1.0 1.8 4.38 831 831 A 89 ILE H A 89 ILE HG1x 1.0 1.8 4.79 832 832 A 102 ILE H A 102 ILE HG1x 1.0 1.8 4.93 833 833 A 13 LYS H A 12 ASP HBy 1.0 1.8 4.48 834 834 A 16 TYR H A 18 TYR HE% 1.0 1.8 4.63 835 835 A 28 LYS H A 28 LYS HEx 1.0 1.8 6.05 836 836 A 28 LYS H A 28 LYS HEy 1.0 1.8 6.05 837 837 A 69 GLN HE21 A 69 GLN H 1.0 1.8 5.57 838 838 A 69 GLN HE22 A 69 GLN H 1.0 1.8 6.05 839 839 A 59 ASN H A 59 ASN HD21 1.0 1.8 5.18 840 840 A 20 VAL H A 20 VAL HG1% 1.0 1.8 4.27 841 841 A 33 VAL HG1% A 33 VAL H 1.0 1.8 4.22 842 842 A 70 VAL HG1% A 70 VAL H 1.0 1.8 4.25 843 843 A 59 ASN HD22 A 59 ASN HBy 1.0 1.8 4.47 844 844 A 59 ASN HD22 A 59 ASN HBx 1.0 1.8 4.47 845 845 A 32 GLN HGy A 32 GLN HE21 1.0 1.8 4.47 846 846 A 69 GLN HE21 A 69 GLN HGy 1.0 1.8 3.76 847 847 A 69 GLN HE22 A 69 GLN HGx 1.0 1.8 4.35 848 848 A 92 ASP HBy A 69 GLN HE22 1.0 1.8 4.86 849 849 A 69 GLN HE22 A 69 GLN HGy 1.0 1.8 4.18 850 850 A 7 ARG HA A 7 ARG HE 1.0 1.8 6.05 851 851 A 15 GLY H A 14 TRP HBx 1.0 1.8 4.16 852 852 A 69 GLN HE21 A 69 GLN HGx 1.0 1.8 3.85 853 853 A 39 GLU H A 39 GLU HBx 1.0 1.8 4.40 854 854 A 64 LEU H A 61 LEU HA 1.0 1.8 4.61 855 855 A 64 LEU H A 64 LEU HG 1.0 1.8 3.65 856 856 A 14 TRP H A 16 TYR H 1.0 1.8 4.50 857 857 A 48 THR H A 49 GLU H 1.0 1.8 3.73 858 858 A 48 THR H A 46 ASN HA 1.0 1.8 5.35 859 859 A 74 ILE HB A 74 ILE H 1.0 1.8 3.87 860 860 A 46 ASN H A 46 ASN HD22 1.0 1.8 5.67 861 861 A 52 GLU H A 52 GLU HBx 1.0 1.8 4.02 862 862 A 70 VAL HB A 71 LYS H 1.0 1.8 3.85 863 863 A 52 GLU H A 53 HIS H 1.0 1.8 3.95 864 864 A 11 LEU HBy A 11 LEU H 1.0 1.8 3.92 865 865 A 100 TRP H A 101 ILE H 1.0 1.8 4.31 866 866 A 104 GLU H A 104 GLU HBy 1.0 1.8 3.95 867 867 A 5 GLU H A 5 GLU HBx 1.0 1.8 4.00 868 868 A 38 LEU H A 37 TYR H 1.0 1.8 6.01 869 869 A 40 GLN H A 38 LEU H 1.0 1.8 6.05 870 870 A 12 ASP H A 8 GLN HA 1.0 1.8 4.71 871 871 A 12 ASP H A 13 LYS H 1.0 1.8 4.02 872 872 A 28 LYS HGx A 28 LYS H 1.0 1.8 3.90 873 873 A 73 PHE HBy A 73 PHE H 1.0 1.8 3.79 874 874 A 6 LEU H A 5 GLU HBx 1.0 1.8 4.39 875 875 A 18 TYR HD% A 36 LYS H 1.0 1.8 5.32 876 876 A 36 LYS H A 43 PHE HE% 1.0 1.8 6.05 877 877 A 36 LYS H A 35 TRP HD1 1.0 1.8 5.06 878 878 A 36 LYS H A 34 MET HA 1.0 1.8 5.10 879 879 A 36 LYS H A 36 LYS HGy 1.0 1.8 4.74 880 880 A 36 LYS H A 19 ASP H 1.0 1.8 6.05 881 881 A 36 LYS H A 34 MET H 1.0 1.8 6.05 882 882 A 49 GLU H A 49 GLU HGx 1.0 1.8 4.29 883 883 A 30 PHE HBy A 30 PHE H 1.0 1.8 4.23 884 884 A 63 ALA H A 60 TYR HA 1.0 1.8 4.49 885 885 A 27 GLY H A 26 GLN H 1.0 1.8 4.15 886 886 A 86 ALA H A 85 LYS HA 1.0 1.8 3.18 887 887 A 35 TRP H A 34 MET HBy 1.0 1.8 6.05 888 888 A 35 TRP H A 34 MET HBx 1.0 1.8 6.05 889 889 A 40 GLN H A 37 TYR HBy 1.0 1.8 5.50 890 890 A 97 ALA HB% A 100 TRP HE1 1.0 1.8 5.38 891 891 A 101 ILE HD1% A 100 TRP HE1 1.0 1.8 5.03 892 892 A 96 ARG H A 93 LEU HA 1.0 1.8 4.94 893 893 A 81 PRO HDx A 80 ARG HA 1.0 1.8 3.99 894 894 A 103 LEU HA A 103 LEU HG 1.0 1.8 4.54 895 895 A 6 LEU HA A 9 LEU HBx 1.0 1.8 4.28 896 896 A 82 ARG HA A 82 ARG HGy 1.0 1.8 4.53 897 897 A 1 MET HA A 1 MET HGy 1.0 1.8 4.59 898 898 A 8 GLN HA A 8 GLN HGy 1.0 1.8 4.52 899 899 A 20 VAL HG2% A 20 VAL HA 1.0 1.8 4.17 900 900 A 28 LYS HGx A 28 LYS HA 1.0 1.8 4.16 901 901 A 39 GLU HA A 39 GLU HGy 1.0 1.8 4.49 902 902 A 49 GLU HA A 49 GLU HGy 1.0 1.8 4.32 903 903 A 51 GLN HA A 51 GLN HGy 1.0 1.8 4.52 904 904 A 57 VAL HG1% A 57 VAL HA 1.0 1.8 3.85 905 905 A 70 VAL HG2% A 70 VAL HA 1.0 1.8 3.45 906 906 A 71 LYS HA A 71 LYS HGy 1.0 1.8 4.36 907 907 A 77 THR HG2% A 77 THR HA 1.0 1.8 4.31 908 908 A 78 LYS HA A 78 LYS HGy 1.0 1.8 4.04 909 909 A 89 ILE HG2% A 89 ILE HA 1.0 1.8 4.05 910 910 A 96 ARG HA A 96 ARG HGy 1.0 1.8 4.27 911 911 A 104 GLU HGy A 104 GLU HA 1.0 1.8 4.38 912 912 A 1 MET HA A 1 MET HGx 1.0 1.8 4.59 913 913 A 5 GLU HA A 5 GLU HGx 1.0 1.8 4.42 914 914 A 7 ARG HA A 7 ARG HGy 1.0 1.8 4.54 915 915 A 26 GLN HA A 26 GLN HGx 1.0 1.8 4.35 916 916 A 26 GLN HA A 26 GLN HGy 1.0 1.8 4.35 917 917 A 28 LYS HA A 28 LYS HGy 1.0 1.8 4.08 918 918 A 32 GLN HGy A 32 GLN HA 1.0 1.8 4.20 919 919 A 39 GLU HA A 39 GLU HGx 1.0 1.8 4.49 920 920 A 40 GLN HA A 40 GLN HGx 1.0 1.8 4.66 921 921 A 51 GLN HA A 51 GLN HGx 1.0 1.8 4.52 922 922 A 52 GLU HA A 52 GLU HGx 1.0 1.8 4.41 923 923 A 69 GLN HA A 69 GLN HGy 1.0 1.8 4.02 924 924 A 78 LYS HA A 78 LYS HGx 1.0 1.8 4.04 925 925 A 79 GLU HA A 79 GLU HGx 1.0 1.8 4.13 926 926 A 82 ARG HA A 82 ARG HGx 1.0 1.8 4.53 927 927 A 85 LYS HA A 85 LYS HGx 1.0 1.8 4.43 928 928 A 85 LYS HA A 85 LYS HGy 1.0 1.8 4.43 929 929 A 96 ARG HA A 96 ARG HGx 1.0 1.8 4.27 930 930 A 99 GLU HA A 99 GLU HGx 1.0 1.8 4.25 931 931 A 104 GLU HGx A 104 GLU HA 1.0 1.8 4.38 932 932 A 6 LEU HA A 6 LEU HG 1.0 1.8 4.40 933 933 A 9 LEU HA A 9 LEU HG 1.0 1.8 4.22 934 934 A 10 LEU HA A 10 LEU HG 1.0 1.8 4.57 935 935 A 11 LEU HA A 11 LEU HG 1.0 1.8 4.57 936 936 A 31 LEU HA A 31 LEU HG 1.0 1.8 4.29 937 937 A 54 LEU HG A 54 LEU HA 1.0 1.8 4.37 938 938 A 61 LEU HG A 61 LEU HA 1.0 1.8 4.33 939 939 A 64 LEU HG A 64 LEU HA 1.0 1.8 3.61 940 940 A 83 LEU HA A 83 LEU HG 1.0 1.8 4.50 941 941 A 93 LEU HA A 93 LEU HG 1.0 1.8 3.99 942 942 A 54 LEU HD1% A 54 LEU HA 1.0 1.8 4.35 943 943 A 74 ILE HA A 89 ILE HD1% 1.0 1.8 4.93 944 944 A 89 ILE HD1% A 89 ILE HA 1.0 1.8 4.77 945 945 A 91 LEU HD1% A 91 LEU HA 1.0 1.8 4.43 946 946 A 93 LEU HD1% A 93 LEU HA 1.0 1.8 4.43 947 947 A 102 ILE HA A 102 ILE HD1% 1.0 1.8 3.98 948 948 A 6 LEU HA A 6 LEU HD1% 1.0 1.8 3.44 949 949 A 13 LYS HA A 13 LYS HDy 1.0 1.8 4.28 950 950 A 18 TYR HD% A 18 TYR HA 1.0 1.8 4.62 951 951 A 24 ARG HA A 24 ARG HDx 1.0 1.8 6.05 952 952 A 24 ARG HA A 24 ARG HDy 1.0 1.8 6.05 953 953 A 54 LEU HD2% A 54 LEU HA 1.0 1.8 3.56 954 954 A 7 ARG HA A 7 ARG HDy 1.0 1.8 6.05 955 955 A 13 LYS HA A 13 LYS HDx 1.0 1.8 4.28 956 956 A 71 LYS HA A 71 LYS HDx 1.0 1.8 5.56 957 957 A 71 LYS HDy A 71 LYS HA 1.0 1.8 5.89 958 958 A 96 ARG HA A 96 ARG HDy 1.0 1.8 5.19 959 959 A 96 ARG HA A 96 ARG HDx 1.0 1.8 5.19 960 960 A 74 ILE HG1x A 74 ILE HA 1.0 1.8 4.46 961 961 A 102 ILE HA A 102 ILE HG1y 1.0 1.8 4.62 962 962 A 74 ILE HA A 74 ILE HG1y 1.0 1.8 4.20 963 963 A 102 ILE HA A 102 ILE HG1x 1.0 1.8 4.62 964 964 A 33 VAL HG1% A 33 VAL HA 1.0 1.8 3.88 965 965 A 70 VAL HG1% A 70 VAL HA 1.0 1.8 3.66 966 966 A 87 VAL HG1% A 87 VAL HA 1.0 1.8 3.85 967 967 A 13 LYS HA A 13 LYS HEy 1.0 1.8 5.72 968 968 A 18 TYR HE% A 16 TYR HA 1.0 1.8 6.05 969 969 A 43 PHE HA A 43 PHE HE% 1.0 1.8 5.75 970 970 A 13 LYS HA A 13 LYS HEx 1.0 1.8 5.72 971 971 A 13 LYS H A 14 TRP HA 1.0 1.8 6.05 972 972 A 14 TRP HE3 A 14 TRP HA 1.0 1.8 6.05 973 973 A 35 TRP HE3 A 35 TRP HA 1.0 1.8 5.80 974 974 A 29 ILE H A 29 ILE HB 1.0 1.8 4.29 975 975 A 101 ILE HB A 101 ILE H 1.0 1.8 4.18 976 976 A 102 ILE H A 102 ILE HB 1.0 1.8 4.15 977 977 A 4 GLN H A 4 GLN HBy 1.0 1.8 3.99 978 978 A 52 GLU H A 52 GLU HBy 1.0 1.8 4.02 979 979 A 69 GLN HBx A 69 GLN H 1.0 1.8 3.79 980 980 A 92 ASP HBx A 92 ASP H 1.0 1.8 3.84 981 981 A 95 GLU H A 95 GLU HBy 1.0 1.8 4.02 982 982 A 32 GLN HGy A 32 GLN HBy 1.0 1.8 3.31 983 983 A 77 THR HG2% A 79 GLU HBy 1.0 1.8 4.36 984 984 A 102 ILE HD1% A 102 ILE HB 1.0 1.8 3.74 985 985 A 83 LEU HD1% A 83 LEU HBy 1.0 1.8 3.86 986 986 A 91 LEU HD2% A 91 LEU HBy 1.0 1.8 4.22 987 987 A 9 LEU H A 9 LEU HG 1.0 1.8 5.15 988 988 A 103 LEU H A 103 LEU HG 1.0 1.8 4.46 989 989 A 20 VAL HB A 31 LEU HG 1.0 1.8 4.84 990 990 A 64 LEU HG A 63 ALA HB% 1.0 1.8 4.09 991 991 A 93 LEU HBy A 93 LEU HG 1.0 1.8 3.16 992 992 A 38 LEU HG A 38 LEU HA 1.0 1.8 4.36 993 993 A 5 GLU HA A 5 GLU HGy 1.0 1.8 4.42 994 994 A 32 GLN HGx A 32 GLN HA 1.0 1.8 4.68 995 995 A 40 GLN HA A 40 GLN HGy 1.0 1.8 4.66 996 996 A 45 MET HA A 45 MET HGy 1.0 1.8 4.53 997 997 A 47 GLU HA A 47 GLU HGy 1.0 1.8 4.33 998 998 A 52 GLU HA A 52 GLU HGy 1.0 1.8 4.41 999 999 A 76 GLN HGx A 76 GLN HA 1.0 1.8 4.11 1000 1000 A 79 GLU HA A 79 GLU HGy 1.0 1.8 4.13 1001 1001 A 99 GLU HA A 99 GLU HGy 1.0 1.8 4.25 1002 1002 A 7 ARG HA A 7 ARG HGx 1.0 1.8 4.54 1003 1003 A 8 GLN HA A 8 GLN HGx 1.0 1.8 4.52 1004 1004 A 45 MET HA A 45 MET HGx 1.0 1.8 4.53 1005 1005 A 47 GLU HA A 47 GLU HGx 1.0 1.8 4.33 1006 1006 A 49 GLU HA A 49 GLU HGx 1.0 1.8 4.32 1007 1007 A 71 LYS HGx A 71 LYS HA 1.0 1.8 4.40 1008 1008 A 76 GLN HA A 76 GLN HGy 1.0 1.8 3.89 1009 1009 A 14 TRP HE3 A 13 LYS HGy 1.0 1.8 6.05 1010 1010 A 23 ARG H A 23 ARG HGy 1.0 1.8 5.56 1011 1011 A 37 TYR H A 40 GLN HGy 1.0 1.8 5.07 1012 1012 A 51 GLN H A 51 GLN HGy 1.0 1.8 5.15 1013 1013 A 82 ARG H A 82 ARG HGy 1.0 1.8 5.71 1014 1014 A 95 GLU H A 95 GLU HGy 1.0 1.8 5.93 1015 1015 A 95 GLU H A 95 GLU HGx 1.0 1.8 5.93 1016 1016 A 7 ARG H A 7 ARG HGx 1.0 1.8 5.54 1017 1017 A 14 TRP HE3 A 13 LYS HGx 1.0 1.8 6.05 1018 1018 A 21 GLN H A 21 GLN HGx 1.0 1.8 5.15 1019 1019 A 39 GLU H A 39 GLU HGx 1.0 1.8 5.40 1020 1020 A 37 TYR H A 40 GLN HGx 1.0 1.8 5.07 1021 1021 A 47 GLU H A 47 GLU HGx 1.0 1.8 4.84 1022 1022 A 51 GLN H A 51 GLN HGx 1.0 1.8 5.15 1023 1023 A 76 GLN H A 76 GLN HGy 1.0 1.8 4.38 1024 1024 A 82 ARG H A 82 ARG HGx 1.0 1.8 5.71 1025 1025 A 33 VAL HG2% A 89 ILE HD1% 1.0 1.8 3.45 1026 1026 A 10 LEU HD1% A 10 LEU HBy 1.0 1.8 3.87 1027 1027 A 102 ILE HG2% A 102 ILE HG1y 1.0 1.8 3.66 1028 1028 A 102 ILE HG2% A 102 ILE HG1x 1.0 1.8 3.66 1029 1029 A 101 ILE HG2% A 101 ILE HG1y 1.0 1.8 3.88 1030 1030 A 28 LYS HBx A 28 LYS H 1.0 1.8 4.58 1031 1031 A 43 PHE H A 42 SER HBx 1.0 1.8 5.07 1032 1032 A 47 GLU H A 47 GLU HBx 1.0 1.8 4.22 1033 1033 A 92 ASP HBy A 92 ASP H 1.0 1.8 3.87 1034 1034 A 31 LEU HBy A 31 LEU HD2% 1.0 1.8 4.47 1035 1035 A 36 LYS HBy A 36 LYS HDx 1.0 1.8 4.61 1036 1036 A 36 LYS HBy A 36 LYS HDy 1.0 1.8 4.61 1037 1037 A 71 LYS HBx A 71 LYS HDy 1.0 1.8 4.19 1038 1038 A 82 ARG HBx A 82 ARG HDx 1.0 1.8 4.38 1039 1039 A 33 VAL HG2% A 87 VAL HB 1.0 1.8 3.99 1040 1040 A 6 LEU HD1% A 6 LEU HBy 1.0 1.8 3.98 1041 1041 A 9 LEU HD1% A 9 LEU HBy 1.0 1.8 3.38 1042 1042 A 10 LEU HD1% A 10 LEU HBx 1.0 1.8 4.09 1043 1043 A 11 LEU HD1% A 11 LEU HBy 1.0 1.8 3.32 1044 1044 A 20 VAL HB A 31 LEU HD1% 1.0 1.8 3.70 1045 1045 A 38 LEU HD1% A 38 LEU HBy 1.0 1.8 4.53 1046 1046 A 54 LEU HD1% A 54 LEU HBy 1.0 1.8 3.70 1047 1047 A 61 LEU HBy A 61 LEU HD1% 1.0 1.8 3.72 1048 1048 A 91 LEU HD1% A 91 LEU HBy 1.0 1.8 3.75 1049 1049 A 6 LEU HD2% A 6 LEU HBy 1.0 1.8 3.90 1050 1050 A 9 LEU HD2% A 9 LEU HBy 1.0 1.8 3.69 1051 1051 A 10 LEU HBx A 10 LEU HD2% 1.0 1.8 4.22 1052 1052 A 11 LEU HD2% A 11 LEU HBy 1.0 1.8 3.77 1053 1053 A 31 LEU HBx A 31 LEU HD2% 1.0 1.8 3.79 1054 1054 A 38 LEU HD2% A 38 LEU HBy 1.0 1.8 4.15 1055 1055 A 54 LEU HD2% A 54 LEU HBy 1.0 1.8 3.98 1056 1056 A 61 LEU HBy A 61 LEU HD2% 1.0 1.8 3.66 1057 1057 A 83 LEU HD2% A 83 LEU HBy 1.0 1.8 3.42 1058 1058 A 6 LEU HD1% A 6 LEU HBx 1.0 1.8 3.98 1059 1059 A 9 LEU HD1% A 9 LEU HBx 1.0 1.8 3.83 1060 1060 A 74 ILE HB A 9 LEU HD1% 1.0 1.8 4.06 1061 1061 A 11 LEU HD1% A 11 LEU HBx 1.0 1.8 3.19 1062 1062 A 31 LEU HD1% A 31 LEU HBy 1.0 1.8 3.74 1063 1063 A 38 LEU HD1% A 38 LEU HBx 1.0 1.8 4.53 1064 1064 A 54 LEU HD1% A 54 LEU HBx 1.0 1.8 3.70 1065 1065 A 64 LEU HBy A 64 LEU HD1% 1.0 1.8 3.64 1066 1066 A 64 LEU HD1% A 64 LEU HBx 1.0 1.8 4.05 1067 1067 A 83 LEU HD1% A 83 LEU HBx 1.0 1.8 3.86 1068 1068 A 91 LEU HD1% A 91 LEU HBx 1.0 1.8 3.75 1069 1069 A 93 LEU HD1% A 93 LEU HBy 1.0 1.8 3.48 1070 1070 A 93 LEU HD1% A 93 LEU HBx 1.0 1.8 3.70 1071 1071 A 6 LEU HD2% A 6 LEU HBx 1.0 1.8 3.90 1072 1072 A 9 LEU HD2% A 9 LEU HBx 1.0 1.8 3.72 1073 1073 A 74 ILE HB A 9 LEU HD2% 1.0 1.8 4.05 1074 1074 A 10 LEU HBy A 10 LEU HD2% 1.0 1.8 3.92 1075 1075 A 11 LEU HD2% A 11 LEU HBx 1.0 1.8 3.71 1076 1076 A 70 VAL HG2% A 31 LEU HD2% 1.0 1.8 3.39 1077 1077 A 38 LEU HD2% A 38 LEU HBx 1.0 1.8 4.15 1078 1078 A 54 LEU HD2% A 54 LEU HBx 1.0 1.8 3.98 1079 1079 A 61 LEU HBx A 61 LEU HD2% 1.0 1.8 3.86 1080 1080 A 64 LEU HD2% A 64 LEU HBx 1.0 1.8 3.49 1081 1081 A 83 LEU HD2% A 83 LEU HBx 1.0 1.8 3.42 1082 1082 A 91 LEU HD2% A 70 VAL HG2% 1.0 1.8 3.65 1083 1083 A 91 LEU HD2% A 91 LEU HBx 1.0 1.8 4.22 1084 1084 A 93 LEU HD2% A 93 LEU HBx 1.0 1.8 3.23 1085 1085 A 36 LYS HBx A 36 LYS HDx 1.0 1.8 4.52 1086 1086 A 36 LYS HBx A 36 LYS HDy 1.0 1.8 4.52 1087 1087 A 71 LYS HBy A 71 LYS HDy 1.0 1.8 3.61 1088 1088 A 28 LYS HBy A 28 LYS HDy 1.0 1.8 4.15 1089 1089 A 28 LYS HBy A 28 LYS HDx 1.0 1.8 4.33 1090 1090 A 1 MET HE% A 71 LYS HDx 1.0 1.8 3.94 1091 1091 A 80 ARG HDx A 80 ARG HBy 1.0 1.8 4.28 1092 1092 A 13 LYS HBy A 13 LYS HDy 1.0 1.8 4.31 1093 1093 A 80 ARG HBy A 80 ARG HDy 1.0 1.8 4.28 1094 1094 A 82 ARG HBx A 82 ARG HDy 1.0 1.8 4.38 1095 1095 A 80 ARG HBx A 80 ARG HDx 1.0 1.8 4.28 1096 1096 A 87 VAL HG2% A 81 PRO HDx 1.0 1.8 4.93 1097 1097 A 82 ARG HBy A 82 ARG HDx 1.0 1.8 4.13 1098 1098 A 80 ARG HBx A 80 ARG HDy 1.0 1.8 4.28 1099 1099 A 82 ARG HBy A 82 ARG HDy 1.0 1.8 4.13 1100 1100 A 29 ILE HD1% A 29 ILE HB 1.0 1.8 3.56 1101 1101 A 74 ILE HB A 74 ILE HD1% 1.0 1.8 3.73 1102 1102 A 89 ILE HB A 89 ILE HD1% 1.0 1.8 3.95 1103 1103 A 101 ILE HD1% A 101 ILE HB 1.0 1.8 3.66 1104 1104 A 29 ILE HD1% A 29 ILE HG2% 1.0 1.8 3.62 1105 1105 A 74 ILE HD1% A 74 ILE HG2% 1.0 1.8 3.18 1106 1106 A 89 ILE HG2% A 89 ILE HD1% 1.0 1.8 3.17 1107 1107 A 2 THR HG2% A 2 THR HA 1.0 1.8 3.49 1108 1108 A 25 THR HA A 25 THR HG2% 1.0 1.8 3.71 1109 1109 A 29 ILE HA A 29 ILE HG2% 1.0 1.8 4.04 1110 1110 A 33 VAL HA A 33 VAL HG2% 1.0 1.8 3.94 1111 1111 A 48 THR HG2% A 48 THR HA 1.0 1.8 3.42 1112 1112 A 57 VAL HG2% A 57 VAL HA 1.0 1.8 3.77 1113 1113 A 68 VAL HA A 68 VAL HG2% 1.0 1.8 3.31 1114 1114 A 72 THR HG2% A 72 THR HA 1.0 1.8 3.29 1115 1115 A 74 ILE HG2% A 74 ILE HA 1.0 1.8 3.86 1116 1116 A 75 THR HG2% A 75 THR HA 1.0 1.8 3.36 1117 1117 A 87 VAL HG2% A 87 VAL HA 1.0 1.8 3.67 1118 1118 A 101 ILE HG2% A 101 ILE HA 1.0 1.8 3.88 1119 1119 A 102 ILE HA A 102 ILE HG2% 1.0 1.8 3.69 1120 1120 A 2 THR H A 2 THR HG2% 1.0 1.8 3.76 1121 1121 A 25 THR HG2% A 25 THR H 1.0 1.8 4.15 1122 1122 A 48 THR H A 48 THR HG2% 1.0 1.8 4.23 1123 1123 A 57 VAL HG2% A 57 VAL H 1.0 1.8 3.64 1124 1124 A 68 VAL H A 68 VAL HG2% 1.0 1.8 3.37 1125 1125 A 75 THR H A 75 THR HG2% 1.0 1.8 4.19 1126 1126 A 89 ILE HG2% A 89 ILE H 1.0 1.8 4.66 1127 1127 A 101 ILE HG2% A 101 ILE H 1.0 1.8 4.35 1128 1128 A 102 ILE H A 102 ILE HG2% 1.0 1.8 4.63 1129 1129 A 20 VAL HG2% A 34 MET H 1.0 1.8 6.05 1130 1130 A 57 VAL H A 20 VAL HG2% 1.0 1.8 6.05 1131 1131 A 70 VAL HG2% A 71 LYS H 1.0 1.8 4.30 1132 1132 A 77 THR HG2% A 76 GLN H 1.0 1.8 4.49 1133 1133 A 29 ILE HG2% A 29 ILE HG1y 1.0 1.8 3.73 1134 1134 A 74 ILE HG2% A 74 ILE HG1x 1.0 1.8 4.20 1135 1135 A 89 ILE HG2% A 89 ILE HG1y 1.0 1.8 4.15 1136 1136 A 29 ILE HG2% A 29 ILE HG1x 1.0 1.8 3.73 1137 1137 A 74 ILE HG2% A 74 ILE HG1y 1.0 1.8 3.94 1138 1138 A 89 ILE HG2% A 89 ILE HG1x 1.0 1.8 4.15 1139 1139 A 101 ILE HG2% A 101 ILE HG1x 1.0 1.8 3.88 1140 1140 A 6 LEU HD1% A 6 LEU H 1.0 1.8 4.63 1141 1141 A 9 LEU HD1% A 9 LEU H 1.0 1.8 4.98 1142 1142 A 10 LEU H A 10 LEU HD1% 1.0 1.8 4.44 1143 1143 A 11 LEU HD1% A 11 LEU H 1.0 1.8 4.18 1144 1144 A 29 ILE HD1% A 29 ILE H 1.0 1.8 4.84 1145 1145 A 31 LEU H A 31 LEU HD1% 1.0 1.8 5.17 1146 1146 A 38 LEU H A 38 LEU HD1% 1.0 1.8 4.58 1147 1147 A 74 ILE HD1% A 74 ILE H 1.0 1.8 4.44 1148 1148 A 83 LEU H A 83 LEU HD1% 1.0 1.8 4.71 1149 1149 A 91 LEU HD1% A 91 LEU H 1.0 1.8 4.93 1150 1150 A 66 GLY H A 93 LEU HD1% 1.0 1.8 5.06 1151 1151 A 102 ILE H A 102 ILE HD1% 1.0 1.8 4.92 1152 1152 A 103 LEU H A 103 LEU HD1% 1.0 1.8 4.94 1153 1153 A 42 SER H A 41 ALA HA 1.0 1.8 3.83 1154 1154 A 66 GLY H A 61 LEU HA 1.0 1.8 4.98 1155 1155 A 97 ALA HA A 99 GLU H 1.0 1.8 4.54 1156 1156 A 103 LEU H A 102 ILE HA 1.0 1.8 3.93 1157 1157 A 2 THR H A 1 MET HBx 1.0 1.8 5.57 1158 1158 A 8 GLN H A 7 ARG HBy 1.0 1.8 4.89 1159 1159 A 10 LEU HBy A 11 LEU H 1.0 1.8 4.83 1160 1160 A 19 ASP H A 18 TYR HBx 1.0 1.8 5.25 1161 1161 A 24 ARG H A 23 ARG HBx 1.0 1.8 5.04 1162 1162 A 32 GLN H A 31 LEU HBy 1.0 1.8 5.81 1163 1163 A 38 LEU H A 37 TYR HBy 1.0 1.8 4.41 1164 1164 A 48 THR H A 47 GLU HBx 1.0 1.8 4.75 1165 1165 A 56 SER HBx A 57 VAL H 1.0 1.8 4.17 1166 1166 A 80 ARG H A 79 GLU HBy 1.0 1.8 4.61 1167 1167 A 83 LEU H A 82 ARG HBy 1.0 1.8 4.73 1168 1168 A 86 ALA H A 85 LYS HBx 1.0 1.8 5.07 1169 1169 A 89 ILE H A 88 SER HBx 1.0 1.8 5.09 1170 1170 A 92 ASP HBy A 93 LEU H 1.0 1.8 5.09 1171 1171 A 94 GLY H A 93 LEU HBx 1.0 1.8 5.68 1172 1172 A 101 ILE H A 100 TRP HBx 1.0 1.8 5.40 1173 1173 A 2 THR H A 1 MET HBy 1.0 1.8 5.57 1174 1174 A 8 GLN H A 7 ARG HBx 1.0 1.8 4.75 1175 1175 A 14 TRP H A 10 LEU HBx 1.0 1.8 5.73 1176 1176 A 24 ARG H A 23 ARG HBy 1.0 1.8 5.01 1177 1177 A 32 GLN H A 31 LEU HBx 1.0 1.8 5.72 1178 1178 A 46 ASN H A 45 MET HBx 1.0 1.8 5.01 1179 1179 A 52 GLU H A 51 GLN HBy 1.0 1.8 4.89 1180 1180 A 54 LEU H A 53 HIS HBy 1.0 1.8 5.14 1181 1181 A 88 SER HBy A 89 ILE H 1.0 1.8 5.09 1182 1182 A 96 ARG H A 95 GLU HBy 1.0 1.8 4.65 1183 1183 A 101 ILE H A 100 TRP HBy 1.0 1.8 5.40 1184 1184 A 104 GLU H A 103 LEU HBy 1.0 1.8 5.08 1185 1185 A 30 PHE H A 29 ILE HB 1.0 1.8 5.31 1186 1186 A 101 ILE HB A 102 ILE H 1.0 1.8 5.03 1187 1187 A 103 LEU H A 102 ILE HB 1.0 1.8 5.04 1188 1188 A 6 LEU H A 5 GLU HGy 1.0 1.8 5.96 1189 1189 A 8 GLN H A 7 ARG HGy 1.0 1.8 5.59 1190 1190 A 9 LEU H A 8 GLN HGy 1.0 1.8 5.72 1191 1191 A 22 PHE H A 21 GLN HGy 1.0 1.8 5.51 1192 1192 A 24 ARG H A 23 ARG HGy 1.0 1.8 4.73 1193 1193 A 25 THR H A 24 ARG HGx 1.0 1.8 6.05 1194 1194 A 25 THR H A 24 ARG HGy 1.0 1.8 6.05 1195 1195 A 41 ALA H A 40 GLN HGy 1.0 1.8 5.57 1196 1196 A 45 MET H A 44 PRO HGy 1.0 1.8 5.56 1197 1197 A 48 THR H A 47 GLU HGy 1.0 1.8 5.58 1198 1198 A 52 GLU H A 51 GLN HGy 1.0 1.8 5.70 1199 1199 A 76 GLN HGx A 77 THR H 1.0 1.8 5.26 1200 1200 A 91 LEU H A 90 PRO HGy 1.0 1.8 6.05 1201 1201 A 97 ALA H A 96 ARG HGy 1.0 1.8 5.87 1202 1202 A 100 TRP H A 99 GLU HGy 1.0 1.8 5.69 1203 1203 A 5 GLU H A 4 GLN HGy 1.0 1.8 5.49 1204 1204 A 5 GLU H A 4 GLN HGx 1.0 1.8 5.49 1205 1205 A 6 LEU H A 5 GLU HGx 1.0 1.8 5.96 1206 1206 A 8 GLN H A 7 ARG HGx 1.0 1.8 5.59 1207 1207 A 9 LEU H A 8 GLN HGx 1.0 1.8 5.72 1208 1208 A 22 PHE H A 21 GLN HGx 1.0 1.8 5.51 1209 1209 A 48 THR H A 47 GLU HGx 1.0 1.8 5.58 1210 1210 A 52 GLU H A 51 GLN HGx 1.0 1.8 5.70 1211 1211 A 70 VAL H A 69 GLN HGy 1.0 1.8 4.76 1212 1212 A 80 ARG H A 79 GLU HGx 1.0 1.8 5.25 1213 1213 A 86 ALA H A 85 LYS HGx 1.0 1.8 5.29 1214 1214 A 86 ALA H A 85 LYS HGy 1.0 1.8 5.29 1215 1215 A 91 LEU H A 90 PRO HGx 1.0 1.8 6.05 1216 1216 A 96 ARG H A 95 GLU HGy 1.0 1.8 6.05 1217 1217 A 96 ARG H A 95 GLU HGx 1.0 1.8 6.05 1218 1218 A 97 ALA H A 96 ARG HGx 1.0 1.8 5.87 1219 1219 A 100 TRP H A 99 GLU HGx 1.0 1.8 5.69 1220 1220 A 10 LEU H A 9 LEU HG 1.0 1.8 5.59 1221 1221 A 10 LEU HG A 11 LEU H 1.0 1.8 5.72 1222 1222 A 104 GLU H A 103 LEU HG 1.0 1.8 5.30 1223 1223 A 9 LEU HD1% A 9 LEU HA 1.0 1.8 3.48 1224 1224 A 10 LEU HA A 10 LEU HD1% 1.0 1.8 4.68 1225 1225 A 11 LEU HA A 11 LEU HD1% 1.0 1.8 4.33 1226 1226 A 29 ILE HA A 29 ILE HD1% 1.0 1.8 4.44 1227 1227 A 31 LEU HA A 31 LEU HD1% 1.0 1.8 3.93 1228 1228 A 38 LEU HD1% A 38 LEU HA 1.0 1.8 3.86 1229 1229 A 61 LEU HD1% A 61 LEU HA 1.0 1.8 4.46 1230 1230 A 64 LEU HD1% A 64 LEU HA 1.0 1.8 4.53 1231 1231 A 74 ILE HD1% A 74 ILE HA 1.0 1.8 4.47 1232 1232 A 83 LEU HA A 83 LEU HD1% 1.0 1.8 3.69 1233 1233 A 70 VAL HA A 89 ILE HD1% 1.0 1.8 4.08 1234 1234 A 101 ILE HD1% A 101 ILE HA 1.0 1.8 4.38 1235 1235 A 103 LEU HA A 103 LEU HD1% 1.0 1.8 4.27 1236 1236 A 6 LEU HA A 6 LEU HD2% 1.0 1.8 4.75 1237 1237 A 9 LEU HD2% A 6 LEU HA 1.0 1.8 4.80 1238 1238 A 9 LEU HD2% A 9 LEU HA 1.0 1.8 5.19 1239 1239 A 10 LEU HA A 10 LEU HD2% 1.0 1.8 3.59 1240 1240 A 11 LEU HA A 11 LEU HD2% 1.0 1.8 3.48 1241 1241 A 31 LEU HA A 31 LEU HD2% 1.0 1.8 4.76 1242 1242 A 38 LEU HD2% A 38 LEU HA 1.0 1.8 4.95 1243 1243 A 61 LEU HD2% A 61 LEU HA 1.0 1.8 3.56 1244 1244 A 64 LEU HD2% A 64 LEU HA 1.0 1.8 3.55 1245 1245 A 83 LEU HA A 83 LEU HD2% 1.0 1.8 4.49 1246 1246 A 91 LEU HD2% A 91 LEU HA 1.0 1.8 3.45 1247 1247 A 93 LEU HD2% A 93 LEU HA 1.0 1.8 3.33 1248 1248 A 103 LEU HA A 103 LEU HD2% 1.0 1.8 4.27 1249 1249 A 99 GLU HA A 102 ILE HD1% 1.0 1.8 5.30 1250 1250 A 101 ILE HD1% A 97 ALA HA 1.0 1.8 4.70 1251 1251 A 74 ILE HD1% A 71 LYS HA 1.0 1.8 4.63 1252 1252 A 74 ILE HD1% A 14 TRP HZ3 1.0 1.8 4.41 1253 1253 A 74 ILE HD1% A 14 TRP HH2 1.0 1.8 4.70 1254 1254 A 29 ILE HD1% A 24 ARG HDx 1.0 1.8 6.05 1255 1255 A 29 ILE HD1% A 24 ARG HDy 1.0 1.8 6.05 1256 1256 A 24 ARG HA A 29 ILE HD1% 1.0 1.8 5.01 1257 1257 A 89 ILE HD1% A 31 LEU HD2% 1.0 1.8 3.83 1258 1258 A 31 LEU HBx A 89 ILE HD1% 1.0 1.8 4.41 1259 1259 A 74 ILE HG1x A 89 ILE HD1% 1.0 1.8 4.31 1260 1260 A 73 PHE HBx A 89 ILE HD1% 1.0 1.8 4.71 1261 1261 A 89 ILE HD1% A 73 PHE HZ 1.0 1.8 6.05 1262 1262 A 31 LEU H A 89 ILE HD1% 1.0 1.8 6.05 1263 1263 A 88 SER H A 89 ILE HD1% 1.0 1.8 6.05 1264 1264 A 74 ILE H A 89 ILE HD1% 1.0 1.8 5.13 1265 1265 A 70 VAL HG2% A 89 ILE HG2% 1.0 1.8 3.69 1266 1266 A 9 LEU HD1% A 74 ILE HG2% 1.0 1.8 3.76 1267 1267 A 9 LEU HD2% A 74 ILE HG2% 1.0 1.8 4.07 1268 1268 A 74 ILE HG2% A 10 LEU HD2% 1.0 1.8 3.99 1269 1269 A 13 LYS HBx A 74 ILE HG2% 1.0 1.8 4.39 1270 1270 A 14 TRP HE3 A 74 ILE HG2% 1.0 1.8 5.94 1271 1271 A 102 ILE H A 101 ILE HG2% 1.0 1.8 4.38 1272 1272 A 58 ALA HB% A 6 LEU HD2% 1.0 1.8 3.72 1273 1273 A 58 ALA HB% A 1 MET HGy 1.0 1.8 4.76 1274 1274 A 58 ALA HB% A 1 MET HGx 1.0 1.8 4.76 1275 1275 A 58 ALA HB% A 1 MET HE% 1.0 1.8 4.84 1276 1276 A 58 ALA HB% A 57 VAL HB 1.0 1.8 5.07 1277 1277 A 58 ALA HB% A 61 LEU HG 1.0 1.8 4.48 1278 1278 A 58 ALA HB% A 3 GLY HAy 1.0 1.8 4.00 1279 1279 A 58 ALA HB% A 3 GLY HAx 1.0 1.8 4.22 1280 1280 A 58 ALA HB% A 2 THR HA 1.0 1.8 4.37 1281 1281 A 103 LEU HA A 102 ILE HG2% 1.0 1.8 5.19 1282 1282 A 104 GLU HA A 102 ILE HG2% 1.0 1.8 5.82 1283 1283 A 103 LEU H A 102 ILE HG2% 1.0 1.8 4.35 1284 1284 A 104 GLU H A 102 ILE HG2% 1.0 1.8 5.03 1285 1285 A 28 LYS HA A 29 ILE HG2% 1.0 1.8 4.62 1286 1286 A 24 ARG HA A 29 ILE HG2% 1.0 1.8 5.97 1287 1287 A 22 PHE HD% A 29 ILE HG2% 1.0 1.8 4.60 1288 1288 A 29 ILE HG2% A 30 PHE H 1.0 1.8 4.06 1289 1289 A 63 ALA HB% A 60 TYR HA 1.0 1.8 3.98 1290 1290 A 93 LEU HD1% A 97 ALA HB% 1.0 1.8 4.53 1291 1291 A 97 ALA HB% A 101 ILE HD1% 1.0 1.8 3.90 1292 1292 A 97 ALA HB% A 98 SER HA 1.0 1.8 4.30 1293 1293 A 61 LEU HBx A 67 ALA HB% 1.0 1.8 4.43 1294 1294 A 67 ALA HB% A 1 MET HBy 1.0 1.8 4.04 1295 1295 A 61 LEU HBy A 67 ALA HB% 1.0 1.8 4.46 1296 1296 A 67 ALA HB% A 1 MET HBx 1.0 1.8 4.04 1297 1297 A 68 VAL HA A 67 ALA HB% 1.0 1.8 4.88 1298 1298 A 66 GLY HAx A 67 ALA HB% 1.0 1.8 5.53 1299 1299 A 62 HIS HA A 67 ALA HB% 1.0 1.8 4.42 1300 1300 A 33 VAL HG2% A 31 LEU HD2% 1.0 1.8 4.27 1301 1301 A 87 VAL HG2% A 33 VAL HG2% 1.0 1.8 4.50 1302 1302 A 10 LEU HD2% A 33 VAL HG2% 1.0 1.8 3.92 1303 1303 A 33 VAL HG2% A 32 GLN HA 1.0 1.8 4.84 1304 1304 A 33 VAL HG2% A 14 TRP HZ3 1.0 1.8 4.20 1305 1305 A 33 VAL HG2% A 14 TRP HH2 1.0 1.8 4.32 1306 1306 A 34 MET H A 33 VAL HG2% 1.0 1.8 5.07 1307 1307 A 32 GLN HBx A 86 ALA HB% 1.0 1.8 3.84 1308 1308 A 86 ALA HB% A 34 MET HA 1.0 1.8 4.07 1309 1309 A 86 ALA HB% A 32 GLN HA 1.0 1.8 4.77 1310 1310 A 77 THR HG2% A 74 ILE HG2% 1.0 1.8 4.52 1311 1311 A 77 THR HG2% A 74 ILE HA 1.0 1.8 3.83 1312 1312 A 77 THR HG2% A 73 PHE HE% 1.0 1.8 5.02 1313 1313 A 77 THR HG2% A 14 TRP HH2 1.0 1.8 5.27 1314 1314 A 25 THR HG2% A 26 GLN HGx 1.0 1.8 5.04 1315 1315 A 25 THR HG2% A 26 GLN HGy 1.0 1.8 5.04 1316 1316 A 25 THR HG2% A 30 PHE HD% 1.0 1.8 4.21 1317 1317 A 25 THR HG2% A 26 GLN H 1.0 1.8 4.14 1318 1318 A 70 VAL HG1% A 89 ILE HG2% 1.0 1.8 4.21 1319 1319 A 70 VAL HG1% A 71 LYS HA 1.0 1.8 4.28 1320 1320 A 68 VAL HG1% A 68 VAL HA 1.0 1.8 3.44 1321 1321 A 57 VAL HG1% A 31 LEU HD1% 1.0 1.8 3.70 1322 1322 A 57 VAL HG1% A 61 LEU HG 1.0 1.8 4.18 1323 1323 A 72 THR HG2% A 76 GLN HBx 1.0 1.8 4.22 1324 1324 A 72 THR HG2% A 76 GLN HGy 1.0 1.8 5.21 1325 1325 A 75 THR HG2% A 76 GLN HGy 1.0 1.8 5.91 1326 1326 A 72 THR HG2% A 76 GLN HGx 1.0 1.8 3.85 1327 1327 A 72 THR HG2% A 73 PHE HBy 1.0 1.8 5.16 1328 1328 A 87 VAL HG1% A 89 ILE HD1% 1.0 1.8 3.87 1329 1329 A 87 VAL HG1% A 73 PHE HZ 1.0 1.8 4.11 1330 1330 A 87 VAL HG1% A 14 TRP HH2 1.0 1.8 4.38 1331 1331 A 87 VAL HG1% A 14 TRP HZ2 1.0 1.8 4.66 1332 1332 A 87 VAL HG1% A 87 VAL H 1.0 1.8 4.55 1333 1333 A 87 VAL HG2% A 81 PRO HDy 1.0 1.8 4.93 1334 1334 A 79 GLU HBx A 87 VAL HG2% 1.0 1.8 3.99 1335 1335 A 87 VAL HG2% A 80 ARG HA 1.0 1.8 4.04 1336 1336 A 87 VAL HG2% A 86 ALA HA 1.0 1.8 4.87 1337 1337 A 72 THR HG2% A 73 PHE H 1.0 1.8 4.15 1338 1338 A 3 GLY H A 2 THR HG2% 1.0 1.8 4.27 1339 1339 A 58 ALA HB% A 6 LEU HD1% 1.0 1.8 4.37 1340 1340 A 6 LEU HD1% A 9 LEU HBx 1.0 1.8 4.23 1341 1341 A 6 LEU HD1% A 10 LEU HG 1.0 1.8 4.44 1342 1342 A 6 LEU HD1% A 9 LEU H 1.0 1.8 5.21 1343 1343 A 10 LEU H A 6 LEU HD1% 1.0 1.8 4.88 1344 1344 A 48 THR HG2% A 52 GLU HGy 1.0 1.8 4.25 1345 1345 A 48 THR HG2% A 52 GLU HGx 1.0 1.8 4.25 1346 1346 A 51 GLN HBx A 48 THR HG2% 1.0 1.8 5.39 1347 1347 A 57 VAL HG2% A 31 LEU HD1% 1.0 1.8 5.05 1348 1348 A 57 VAL HG2% A 54 LEU HA 1.0 1.8 4.20 1349 1349 A 57 VAL HG2% A 22 PHE HD% 1.0 1.8 4.91 1350 1350 A 57 VAL HG2% A 22 PHE HE% 1.0 1.8 5.16 1351 1351 A 7 ARG HA A 54 LEU HD2% 1.0 1.8 4.58 1352 1352 A 20 VAL H A 54 LEU HD2% 1.0 1.8 4.40 1353 1353 A 11 LEU HD2% A 16 TYR HA 1.0 1.8 4.15 1354 1354 A 64 LEU HD2% A 60 TYR HD% 1.0 1.8 4.91 1355 1355 A 64 LEU H A 64 LEU HD2% 1.0 1.8 4.47 1356 1356 A 11 LEU HD2% A 17 SER H 1.0 1.8 5.14 1357 1357 A 11 LEU HD2% A 12 ASP H 1.0 1.8 5.20 1358 1358 A 10 LEU HD1% A 20 VAL HG1% 1.0 1.8 3.48 1359 1359 A 20 VAL HA A 20 VAL HG1% 1.0 1.8 3.90 1360 1360 A 33 VAL HA A 20 VAL HG1% 1.0 1.8 3.95 1361 1361 A 33 VAL H A 20 VAL HG1% 1.0 1.8 4.97 1362 1362 A 21 GLN H A 20 VAL HG1% 1.0 1.8 4.31 1363 1363 A 34 MET H A 20 VAL HG1% 1.0 1.8 4.46 1364 1364 A 20 VAL HG2% A 31 LEU HD1% 1.0 1.8 3.31 1365 1365 A 31 LEU HD1% A 20 VAL HG1% 1.0 1.8 3.51 1366 1366 A 31 LEU HD1% A 61 LEU HG 1.0 1.8 5.76 1367 1367 A 31 LEU HD1% A 89 ILE HB 1.0 1.8 5.26 1368 1368 A 22 PHE HA A 31 LEU HD1% 1.0 1.8 4.39 1369 1369 A 22 PHE HE% A 31 LEU HD1% 1.0 1.8 4.14 1370 1370 A 32 GLN H A 31 LEU HD1% 1.0 1.8 4.10 1371 1371 A 22 PHE H A 31 LEU HD1% 1.0 1.8 5.61 1372 1372 A 21 GLN H A 31 LEU HD1% 1.0 1.8 4.71 1373 1373 A 38 LEU HD1% A 47 GLU HGx 1.0 1.8 4.74 1374 1374 A 38 LEU HD1% A 47 GLU HBy 1.0 1.8 6.05 1375 1375 A 38 LEU HD1% A 47 GLU HBx 1.0 1.8 6.05 1376 1376 A 38 LEU HD1% A 50 TYR HBy 1.0 1.8 4.43 1377 1377 A 38 LEU HD1% A 50 TYR HBx 1.0 1.8 4.43 1378 1378 A 38 LEU HD1% A 47 GLU HA 1.0 1.8 3.89 1379 1379 A 38 LEU HD1% A 46 ASN HA 1.0 1.8 4.76 1380 1380 A 61 LEU HD2% A 31 LEU HD1% 1.0 1.8 4.37 1381 1381 A 64 LEU HBy A 61 LEU HD2% 1.0 1.8 5.18 1382 1382 A 67 ALA HB% A 61 LEU HD2% 1.0 1.8 5.47 1383 1383 A 66 GLY HAx A 61 LEU HD2% 1.0 1.8 4.61 1384 1384 A 66 GLY HAy A 61 LEU HD2% 1.0 1.8 5.28 1385 1385 A 61 LEU HD2% A 22 PHE HZ 1.0 1.8 3.81 1386 1386 A 66 GLY H A 61 LEU HD2% 1.0 1.8 4.69 1387 1387 A 91 LEU HD2% A 92 ASP H 1.0 1.8 4.27 1388 1388 A 30 PHE HE% A 25 THR HB 1.0 1.8 5.68 1389 1389 A 25 THR HB A 23 ARG HE 1.0 1.8 5.60 1390 1390 A 30 PHE HD% A 25 THR HB 1.0 1.8 6.05 1391 1391 A 70 VAL HA A 89 ILE HG2% 1.0 1.8 3.96 1392 1392 A 74 ILE HG2% A 75 THR HA 1.0 1.8 4.69 1393 1393 A 59 ASN H A 57 VAL HA 1.0 1.8 5.73 1394 1394 A 22 PHE HE% A 57 VAL HA 1.0 1.8 3.94 1395 1395 A 71 LYS HBx A 68 VAL HA 1.0 1.8 4.11 1396 1396 A 71 LYS HBy A 68 VAL HA 1.0 1.8 4.49 1397 1397 A 74 ILE HA A 14 TRP HZ2 1.0 1.8 5.63 1398 1398 A 76 GLN H A 74 ILE HA 1.0 1.8 6.00 1399 1399 A 32 GLN HE22 A 88 SER HBy 1.0 1.8 5.41 1400 1400 A 30 PHE HD% A 88 SER HBx 1.0 1.8 5.10 1401 1401 A 87 VAL HA A 88 SER HBx 1.0 1.8 5.30 1402 1402 A 30 PHE HBx A 88 SER HBx 1.0 1.8 6.05 1403 1403 A 88 SER HBy A 30 PHE HBx 1.0 1.8 5.73 1404 1404 A 101 ILE HG2% A 98 SER HBy 1.0 1.8 5.69 1405 1405 A 101 ILE HD1% A 98 SER HBy 1.0 1.8 6.05 1406 1406 A 101 ILE HG2% A 98 SER HBx 1.0 1.8 5.69 1407 1407 A 101 ILE HD1% A 98 SER HBx 1.0 1.8 6.05 1408 1408 A 82 ARG HBy A 81 PRO HA 1.0 1.8 4.88 1409 1409 A 86 ALA HB% A 81 PRO HA 1.0 1.8 5.08 1410 1410 A 56 SER HBx A 54 LEU H 1.0 1.8 6.05 1411 1411 A 56 SER HBx A 59 ASN H 1.0 1.8 6.05 1412 1412 A 56 SER HBx A 53 HIS HE1 1.0 1.8 6.05 1413 1413 A 56 SER HBy A 55 ASP H 1.0 1.8 6.05 1414 1414 A 56 SER HBx A 55 ASP H 1.0 1.8 6.05 1415 1415 A 88 SER HBy A 87 VAL HA 1.0 1.8 5.10 1416 1416 A 30 PHE HE% A 90 PRO HA 1.0 1.8 4.96 1417 1417 A 90 PRO HA A 30 PHE HA 1.0 1.8 4.35 1418 1418 A 90 PRO HA A 91 LEU HG 1.0 1.8 4.60 1419 1419 A 33 VAL HA A 34 MET HGy 1.0 1.8 6.05 1420 1420 A 33 VAL HA A 34 MET HGx 1.0 1.8 6.05 1421 1421 A 20 VAL HB A 33 VAL HA 1.0 1.8 5.14 1422 1422 A 102 ILE HB A 101 ILE HA 1.0 1.8 5.47 1423 1423 A 53 HIS H A 50 TYR HA 1.0 1.8 4.98 1424 1424 A 50 TYR HD% A 50 TYR HA 1.0 1.8 5.02 1425 1425 A 50 TYR HA A 53 HIS HBy 1.0 1.8 4.76 1426 1426 A 50 TYR HA A 53 HIS HBx 1.0 1.8 4.76 1427 1427 A 45 MET HBx A 50 TYR HA 1.0 1.8 5.48 1428 1428 A 38 LEU HD1% A 50 TYR HA 1.0 1.8 4.80 1429 1429 A 103 LEU HG A 102 ILE HA 1.0 1.8 6.05 1430 1430 A 72 THR HG2% A 73 PHE HA 1.0 1.8 4.72 1431 1431 A 73 PHE HA A 89 ILE HG2% 1.0 1.8 5.40 1432 1432 A 56 SER HA A 59 ASN HBy 1.0 1.8 4.55 1433 1433 A 56 SER HA A 59 ASN HBx 1.0 1.8 4.55 1434 1434 A 59 ASN H A 56 SER HA 1.0 1.8 4.73 1435 1435 A 47 GLU HA A 50 TYR HBy 1.0 1.8 4.99 1436 1436 A 47 GLU HA A 50 TYR HBx 1.0 1.8 4.99 1437 1437 A 9 LEU HD2% A 71 LYS HA 1.0 1.8 3.74 1438 1438 A 38 LEU HD2% A 17 SER HBy 1.0 1.8 5.39 1439 1439 A 7 ARG HA A 10 LEU HBx 1.0 1.8 5.69 1440 1440 A 7 ARG HA A 10 LEU HG 1.0 1.8 5.03 1441 1441 A 10 LEU HD1% A 7 ARG HA 1.0 1.8 4.05 1442 1442 A 11 LEU HD1% A 7 ARG HA 1.0 1.8 5.19 1443 1443 A 54 LEU HD1% A 7 ARG HA 1.0 1.8 5.41 1444 1444 A 101 ILE HB A 98 SER HA 1.0 1.8 5.26 1445 1445 A 101 ILE HD1% A 98 SER HA 1.0 1.8 4.53 1446 1446 A 52 GLU HA A 55 ASP HBy 1.0 1.8 4.51 1447 1447 A 72 THR HG2% A 69 GLN HA 1.0 1.8 5.12 1448 1448 A 16 TYR H A 14 TRP HA 1.0 1.8 5.92 1449 1449 A 51 GLN HA A 54 LEU HBy 1.0 1.8 4.80 1450 1450 A 51 GLN HA A 54 LEU HBx 1.0 1.8 4.80 1451 1451 A 51 GLN HA A 54 LEU HG 1.0 1.8 4.84 1452 1452 A 20 VAL HA A 33 VAL HA 1.0 1.8 4.36 1453 1453 A 32 GLN H A 22 PHE HA 1.0 1.8 4.79 1454 1454 A 31 LEU HA A 22 PHE HA 1.0 1.8 4.25 1455 1455 A 56 SER HBy A 53 HIS HA 1.0 1.8 4.93 1456 1456 A 56 SER HBx A 53 HIS HA 1.0 1.8 5.20 1457 1457 A 57 VAL H A 54 LEU HA 1.0 1.8 4.59 1458 1458 A 57 VAL HB A 54 LEU HA 1.0 1.8 4.21 1459 1459 A 6 LEU HD2% A 54 LEU HA 1.0 1.8 4.38 1460 1460 A 81 PRO HBx A 35 TRP HA 1.0 1.8 4.39 1461 1461 A 101 ILE HD1% A 100 TRP HA 1.0 1.8 4.83 1462 1462 A 12 ASP H A 9 LEU HA 1.0 1.8 4.95 1463 1463 A 6 LEU HA A 10 LEU HD2% 1.0 1.8 5.40 1464 1464 A 10 LEU HD2% A 9 LEU HA 1.0 1.8 5.90 1465 1465 A 11 LEU HBy A 8 GLN HA 1.0 1.8 4.22 1466 1466 A 8 GLN HA A 11 LEU HG 1.0 1.8 5.16 1467 1467 A 11 LEU HBx A 8 GLN HA 1.0 1.8 4.53 1468 1468 A 55 ASP HA A 3 GLY HAy 1.0 1.8 4.41 1469 1469 A 55 ASP HA A 58 ALA HB% 1.0 1.8 3.90 1470 1470 A 35 TRP HE3 A 83 LEU HA 1.0 1.8 6.04 1471 1471 A 43 PHE HA A 44 PRO HDy 1.0 1.8 4.18 1472 1472 A 75 THR HG2% A 76 GLN HA 1.0 1.8 4.59 1473 1473 A 74 ILE HG2% A 13 LYS HA 1.0 1.8 5.05 1474 1474 A 25 THR HA A 26 GLN HA 1.0 1.8 4.91 1475 1475 A 98 SER H A 96 ARG HA 1.0 1.8 4.73 1476 1476 A 70 VAL HB A 67 ALA HA 1.0 1.8 4.21 1477 1477 A 61 LEU HD1% A 67 ALA HA 1.0 1.8 4.13 1478 1478 A 38 LEU HA A 43 PHE HBy 1.0 1.8 5.53 1479 1479 A 38 LEU HA A 43 PHE HBx 1.0 1.8 5.53 1480 1480 A 59 ASN HA A 62 HIS HBy 1.0 1.8 4.53 1481 1481 A 59 ASN HA A 62 HIS HBx 1.0 1.8 4.53 1482 1482 A 10 LEU HBx A 17 SER HA 1.0 1.8 5.41 1483 1483 A 10 LEU HG A 17 SER HA 1.0 1.8 5.41 1484 1484 A 10 LEU HD1% A 17 SER HA 1.0 1.8 4.42 1485 1485 A 61 LEU HBx A 58 ALA HA 1.0 1.8 5.48 1486 1486 A 61 LEU HD1% A 58 ALA HA 1.0 1.8 3.89 1487 1487 A 61 LEU HBy A 58 ALA HA 1.0 1.8 4.33 1488 1488 A 35 TRP HE3 A 85 LYS HA 1.0 1.8 5.87 1489 1489 A 30 PHE HA A 23 ARG H 1.0 1.8 5.72 1490 1490 A 30 PHE HA A 89 ILE H 1.0 1.8 6.05 1491 1491 A 22 PHE HD% A 30 PHE HA 1.0 1.8 6.05 1492 1492 A 30 PHE HE% A 30 PHE HA 1.0 1.8 6.05 1493 1493 A 30 PHE HA A 91 LEU HG 1.0 1.8 4.44 1494 1494 A 30 PHE HA A 31 LEU HBy 1.0 1.8 5.26 1495 1495 A 30 PHE HA A 29 ILE HG2% 1.0 1.8 4.52 1496 1496 A 1 MET HE% A 1 MET HA 1.0 1.8 5.50 1497 1497 A 29 ILE HD1% A 28 LYS HA 1.0 1.8 6.01 1498 1498 A 30 PHE HD% A 24 ARG HA 1.0 1.8 5.48 1499 1499 A 19 ASP HA A 50 TYR HD% 1.0 1.8 6.05 1500 1500 A 19 ASP HA A 50 TYR HE% 1.0 1.8 4.55 1501 1501 A 20 VAL HG2% A 19 ASP HA 1.0 1.8 4.86 1502 1502 A 54 LEU HD1% A 19 ASP HA 1.0 1.8 5.69 1503 1503 A 33 VAL HB A 32 GLN HA 1.0 1.8 5.64 1504 1504 A 87 VAL HB A 32 GLN HA 1.0 1.8 6.02 1505 1505 A 31 LEU HG A 32 GLN HA 1.0 1.8 5.61 1506 1506 A 87 VAL HG1% A 32 GLN HA 1.0 1.8 6.05 1507 1507 A 32 GLN HA A 89 ILE HD1% 1.0 1.8 5.18 1508 1508 A 93 LEU HD1% A 97 ALA HA 1.0 1.8 5.42 1509 1509 A 97 ALA HA A 93 LEU HBx 1.0 1.8 4.86 1510 1510 A 80 ARG HA A 80 ARG HE 1.0 1.8 6.05 1511 1511 A 35 TRP HE3 A 34 MET HA 1.0 1.8 5.03 1512 1512 A 86 ALA HA A 35 TRP HZ3 1.0 1.8 5.36 1513 1513 A 86 ALA HA A 34 MET HA 1.0 1.8 5.28 1514 1514 A 81 PRO HBy A 86 ALA HA 1.0 1.8 5.75 1515 1515 A 86 ALA HA A 87 VAL HB 1.0 1.8 6.05 1516 1516 A 86 ALA HA A 33 VAL HB 1.0 1.8 5.18 1517 1517 A 81 PRO HBx A 86 ALA HA 1.0 1.8 5.20 1518 1518 A 89 ILE HG2% A 90 PRO HDy 1.0 1.8 4.83 1519 1519 A 89 ILE HG2% A 90 PRO HDx 1.0 1.8 4.83 1520 1520 A 89 ILE HA A 90 PRO HDx 1.0 1.8 3.90 1521 1521 A 89 ILE HA A 90 PRO HDy 1.0 1.8 3.90 1522 1522 A 43 PHE HA A 44 PRO HDx 1.0 1.8 4.18 1523 1523 A 6 LEU HD2% A 3 GLY HAy 1.0 1.8 4.96 1524 1524 A 3 GLY HAx A 6 LEU HD2% 1.0 1.8 5.36 1525 1525 A 55 ASP HA A 3 GLY HAx 1.0 1.8 4.47 1526 1526 A 96 ARG H A 94 GLY HAy 1.0 1.8 5.74 1527 1527 A 94 GLY HAx A 95 GLU HA 1.0 1.8 5.46 1528 1528 A 94 GLY HAy A 95 GLU HA 1.0 1.8 5.78 1529 1529 A 93 LEU HBy A 94 GLY HAx 1.0 1.8 5.13 1530 1530 A 97 ALA HB% A 94 GLY HAx 1.0 1.8 5.54 1531 1531 A 35 TRP HH2 A 84 GLY HAy 1.0 1.8 5.36 1532 1532 A 69 GLN HBx A 66 GLY HAy 1.0 1.8 5.10 1533 1533 A 69 GLN HBx A 66 GLY HAx 1.0 1.8 5.27 1534 1534 A 64 LEU HBy A 66 GLY HAx 1.0 1.8 5.69 1535 1535 A 64 LEU HBy A 66 GLY HAy 1.0 1.8 6.05 1536 1536 A 66 GLY HAy A 67 ALA HB% 1.0 1.8 6.05 1537 1537 A 66 GLY HAy A 93 LEU HG 1.0 1.8 6.05 1538 1538 A 93 LEU HD1% A 66 GLY HAy 1.0 1.8 6.05 1539 1539 A 93 LEU HD2% A 66 GLY HAy 1.0 1.8 5.39 1540 1540 A 91 LEU HD1% A 66 GLY HAx 1.0 1.8 5.22 1541 1541 A 11 LEU HD2% A 15 GLY HAx 1.0 1.8 5.10 1542 1542 A 7 ARG HA A 7 ARG HDx 1.0 1.8 6.05 1543 1543 A 89 ILE H A 31 LEU HBx 1.0 1.8 5.70 1544 1544 A 22 PHE HE% A 31 LEU HBy 1.0 1.8 5.56 1545 1545 A 22 PHE HD% A 31 LEU HBx 1.0 1.8 6.05 1546 1546 A 22 PHE HE% A 31 LEU HBx 1.0 1.8 6.05 1547 1547 A 89 ILE HB A 31 LEU HBy 1.0 1.8 5.18 1548 1548 A 91 LEU HD1% A 31 LEU HBy 1.0 1.8 4.43 1549 1549 A 82 ARG HA A 82 ARG HDy 1.0 1.8 5.14 1550 1550 A 82 ARG HA A 82 ARG HDx 1.0 1.8 5.14 1551 1551 A 23 ARG HA A 23 ARG HDy 1.0 1.8 5.64 1552 1552 A 23 ARG HA A 23 ARG HDx 1.0 1.8 5.64 1553 1553 A 28 LYS HBy A 28 LYS HEx 1.0 1.8 5.74 1554 1554 A 28 LYS HBy A 28 LYS HEy 1.0 1.8 5.74 1555 1555 A 11 LEU HBy A 10 LEU HBy 1.0 1.8 5.43 1556 1556 A 61 LEU HBx A 67 ALA HA 1.0 1.8 4.68 1557 1557 A 61 LEU HBy A 67 ALA HA 1.0 1.8 5.21 1558 1558 A 37 TYR HD% A 16 TYR HBy 1.0 1.8 6.05 1559 1559 A 45 MET H A 45 MET HE% 1.0 1.8 4.75 1560 1560 A 71 LYS HBx A 71 LYS HEx 1.0 1.8 5.10 1561 1561 A 71 LYS HBx A 71 LYS HEy 1.0 1.8 5.10 1562 1562 A 43 PHE HZ A 19 ASP HBy 1.0 1.8 4.84 1563 1563 A 36 LYS HBy A 19 ASP HBx 1.0 1.8 6.05 1564 1564 A 45 MET HE% A 19 ASP HBx 1.0 1.8 6.05 1565 1565 A 36 LYS HBy A 19 ASP HBy 1.0 1.8 6.05 1566 1566 A 45 MET HE% A 19 ASP HBy 1.0 1.8 6.05 1567 1567 A 10 LEU HD1% A 18 TYR HBx 1.0 1.8 5.06 1568 1568 A 10 LEU HD1% A 18 TYR HBy 1.0 1.8 5.06 1569 1569 A 19 ASP H A 37 TYR HBx 1.0 1.8 6.05 1570 1570 A 92 ASP HBx A 91 LEU HA 1.0 1.8 5.74 1571 1571 A 92 ASP HBy A 91 LEU HA 1.0 1.8 4.93 1572 1572 A 93 LEU HD2% A 92 ASP HBx 1.0 1.8 5.26 1573 1573 A 93 LEU HD2% A 92 ASP HBy 1.0 1.8 5.76 1574 1574 A 28 LYS HA A 29 ILE HB 1.0 1.8 5.16 1575 1575 A 70 VAL HA A 73 PHE HBy 1.0 1.8 5.17 1576 1576 A 70 VAL HA A 73 PHE HBx 1.0 1.8 5.18 1577 1577 A 70 VAL HG1% A 73 PHE HBy 1.0 1.8 5.50 1578 1578 A 73 PHE HBy A 89 ILE HD1% 1.0 1.8 5.78 1579 1579 A 70 VAL HG1% A 73 PHE HBx 1.0 1.8 5.64 1580 1580 A 73 PHE HBy A 89 ILE HG2% 1.0 1.8 4.80 1581 1581 A 73 PHE HBx A 89 ILE HG2% 1.0 1.8 4.84 1582 1582 A 52 GLU HA A 55 ASP HBx 1.0 1.8 4.51 1583 1583 A 89 ILE HB A 31 LEU HBx 1.0 1.8 4.70 1584 1584 A 22 PHE HE% A 60 TYR HBx 1.0 1.8 5.20 1585 1585 A 57 VAL HA A 60 TYR HBx 1.0 1.8 5.21 1586 1586 A 57 VAL HA A 60 TYR HBy 1.0 1.8 5.21 1587 1587 A 74 ILE HB A 71 LYS HA 1.0 1.8 4.87 1588 1588 A 43 PHE HD% A 45 MET HBy 1.0 1.8 5.07 1589 1589 A 50 TYR HD% A 45 MET HBx 1.0 1.8 5.93 1590 1590 A 2 THR H A 5 GLU HGx 1.0 1.8 5.28 1591 1591 A 2 THR H A 5 GLU HGy 1.0 1.8 5.28 1592 1592 A 37 TYR HD% A 39 GLU HGx 1.0 1.8 5.42 1593 1593 A 38 LEU HD2% A 47 GLU HGx 1.0 1.8 4.61 1594 1594 A 28 LYS HBy A 30 PHE HE% 1.0 1.8 4.42 1595 1595 A 30 PHE HE% A 28 LYS HBx 1.0 1.8 4.66 1596 1596 A 20 VAL HB A 31 LEU HD2% 1.0 1.8 4.36 1597 1597 A 57 VAL HG1% A 20 VAL HB 1.0 1.8 4.68 1598 1598 A 86 ALA HB% A 32 GLN HGx 1.0 1.8 4.69 1599 1599 A 32 GLN HGy A 86 ALA HB% 1.0 1.8 4.77 1600 1600 A 91 LEU HD2% A 69 GLN HGy 1.0 1.8 4.98 1601 1601 A 93 LEU HD2% A 69 GLN HGy 1.0 1.8 5.61 1602 1602 A 69 GLN HA A 69 GLN HGx 1.0 1.8 4.23 1603 1603 A 74 ILE HG2% A 13 LYS HBy 1.0 1.8 4.84 1604 1604 A 81 PRO HBy A 35 TRP HA 1.0 1.8 4.50 1605 1605 A 45 MET HE% A 45 MET HGx 1.0 1.8 4.22 1606 1606 A 87 VAL HB A 33 VAL H 1.0 1.8 5.24 1607 1607 A 33 VAL HG1% A 87 VAL HB 1.0 1.8 5.13 1608 1608 A 87 VAL HB A 89 ILE HD1% 1.0 1.8 5.33 1609 1609 A 9 LEU HD1% A 71 LYS HBx 1.0 1.8 5.15 1610 1610 A 9 LEU HD2% A 71 LYS HBx 1.0 1.8 5.36 1611 1611 A 87 VAL HG2% A 79 GLU HBy 1.0 1.8 4.49 1612 1612 A 29 ILE HD1% A 24 ARG HBx 1.0 1.8 5.27 1613 1613 A 70 VAL HB A 71 LYS HA 1.0 1.8 5.32 1614 1614 A 6 LEU HD2% A 57 VAL HB 1.0 1.8 4.70 1615 1615 A 86 ALA HB% A 32 GLN HBy 1.0 1.8 4.70 1616 1616 A 87 VAL HG2% A 33 VAL HB 1.0 1.8 4.69 1617 1617 A 81 PRO HBx A 33 VAL HB 1.0 1.8 5.21 1618 1618 A 87 VAL HG1% A 33 VAL HB 1.0 1.8 5.76 1619 1619 A 61 LEU HD1% A 1 MET HGy 1.0 1.8 5.62 1620 1620 A 6 LEU HD1% A 1 MET HGx 1.0 1.8 5.16 1621 1621 A 61 LEU HD1% A 1 MET HGx 1.0 1.8 5.62 1622 1622 A 2 THR H A 5 GLU HBy 1.0 1.8 4.65 1623 1623 A 9 LEU HD2% A 71 LYS HDx 1.0 1.8 4.65 1624 1624 A 71 LYS HDy A 68 VAL HA 1.0 1.8 4.77 1625 1625 A 71 LYS HDy A 67 ALA HA 1.0 1.8 5.86 1626 1626 A 96 ARG H A 95 GLU HBx 1.0 1.8 4.65 1627 1627 A 76 GLN HBy A 77 THR HA 1.0 1.8 4.69 1628 1628 A 43 PHE HD% A 36 LYS HDx 1.0 1.8 6.05 1629 1629 A 43 PHE HD% A 36 LYS HDy 1.0 1.8 6.05 1630 1630 A 35 TRP HD1 A 36 LYS HDx 1.0 1.8 6.05 1631 1631 A 35 TRP HD1 A 36 LYS HDy 1.0 1.8 6.05 1632 1632 A 36 LYS HA A 36 LYS HDx 1.0 1.8 6.01 1633 1633 A 36 LYS HA A 36 LYS HDy 1.0 1.8 6.01 1634 1634 A 101 ILE HD1% A 100 TRP HBy 1.0 1.8 4.98 1635 1635 A 28 LYS HA A 28 LYS HDy 1.0 1.8 5.63 1636 1636 A 28 LYS HDx A 28 LYS HA 1.0 1.8 5.97 1637 1637 A 85 LYS HA A 85 LYS HDx 1.0 1.8 6.01 1638 1638 A 85 LYS HA A 85 LYS HDy 1.0 1.8 6.01 1639 1639 A 29 ILE H A 28 LYS HDy 1.0 1.8 5.47 1640 1640 A 30 PHE HE% A 28 LYS HDy 1.0 1.8 4.50 1641 1641 A 28 LYS HDx A 30 PHE HE% 1.0 1.8 5.08 1642 1642 A 85 LYS H A 85 LYS HDx 1.0 1.8 6.05 1643 1643 A 85 LYS H A 85 LYS HDy 1.0 1.8 6.05 1644 1644 A 78 LYS HA A 78 LYS HDx 1.0 1.8 5.57 1645 1645 A 78 LYS HA A 78 LYS HDy 1.0 1.8 5.57 1646 1646 A 69 GLN HBx A 70 VAL HG2% 1.0 1.8 4.76 1647 1647 A 29 ILE H A 29 ILE HG1x 1.0 1.8 5.49 1648 1648 A 29 ILE H A 29 ILE HG1y 1.0 1.8 5.49 1649 1649 A 6 LEU HD2% A 54 LEU HG 1.0 1.8 4.73 1650 1650 A 13 LYS HBy A 13 LYS HDx 1.0 1.8 4.31 1651 1651 A 101 ILE H A 101 ILE HG1x 1.0 1.8 4.80 1652 1652 A 101 ILE H A 101 ILE HG1y 1.0 1.8 4.80 1653 1653 A 102 ILE H A 102 ILE HG1y 1.0 1.8 4.93 1654 1654 A 80 ARG HA A 81 PRO HGy 1.0 1.8 5.63 1655 1655 A 80 ARG HA A 81 PRO HGx 1.0 1.8 5.52 1656 1656 A 33 VAL HG1% A 81 PRO HGy 1.0 1.8 5.08 1657 1657 A 30 PHE HE% A 90 PRO HGx 1.0 1.8 5.43 1658 1658 A 30 PHE HE% A 90 PRO HGy 1.0 1.8 5.43 1659 1659 A 89 ILE HA A 90 PRO HGx 1.0 1.8 5.06 1660 1660 A 89 ILE HA A 90 PRO HGy 1.0 1.8 5.06 1661 1661 A 26 GLN HBx A 25 THR HG2% 1.0 1.8 5.16 1662 1662 A 6 LEU HD2% A 6 LEU H 1.0 1.8 4.76 1663 1663 A 91 LEU HD1% A 92 ASP H 1.0 1.8 5.37 1664 1664 A 91 LEU HD1% A 31 LEU H 1.0 1.8 5.35 1665 1665 A 20 VAL H A 10 LEU HD1% 1.0 1.8 5.17 1666 1666 A 10 LEU HD1% A 11 LEU H 1.0 1.8 5.68 1667 1667 A 10 LEU HD1% A 19 ASP H 1.0 1.8 6.05 1668 1668 A 10 LEU HD1% A 6 LEU HD1% 1.0 1.8 3.77 1669 1669 A 81 PRO HDy A 80 ARG HGx 1.0 1.8 4.75 1670 1670 A 81 PRO HDy A 80 ARG HGy 1.0 1.8 4.75 1671 1671 A 74 ILE HD1% A 10 LEU HG 1.0 1.8 4.96 1672 1672 A 70 VAL HB A 31 LEU HD2% 1.0 1.8 4.70 1673 1673 A 38 LEU HD2% A 47 GLU HGy 1.0 1.8 4.61 1674 1674 A 38 LEU HD2% A 47 GLU HA 1.0 1.8 4.25 1675 1675 A 38 LEU H A 38 LEU HD2% 1.0 1.8 4.77 1676 1676 A 61 LEU HD1% A 22 PHE HZ 1.0 1.8 4.91 1677 1677 A 93 LEU HD1% A 64 LEU HA 1.0 1.8 4.53 1678 1678 A 89 ILE HB A 31 LEU HD2% 1.0 1.8 4.41 1679 1679 A 22 PHE HE% A 31 LEU HD2% 1.0 1.8 4.59 1680 1680 A 54 LEU HD1% A 7 ARG H 1.0 1.8 4.05 1681 1681 A 11 LEU HD1% A 8 GLN HA 1.0 1.8 3.77 1682 1682 A 11 LEU HD1% A 7 ARG HBx 1.0 1.8 4.29 1683 1683 A 54 LEU HD1% A 7 ARG HBx 1.0 1.8 4.48 1684 1684 A 54 LEU HD1% A 7 ARG HBy 1.0 1.8 4.19 1685 1685 A 64 LEU HD1% A 29 ILE HG2% 1.0 1.8 4.11 1686 1686 A 64 LEU HD1% A 61 LEU HA 1.0 1.8 4.53 1687 1687 A 64 LEU HD1% A 22 PHE HE% 1.0 1.8 4.87 1688 1688 A 64 LEU HD1% A 22 PHE HZ 1.0 1.8 4.99 1689 1689 A 9 LEU HD2% A 71 LYS HGx 1.0 1.8 3.96 1690 1690 A 70 VAL HG2% A 67 ALA HA 1.0 1.8 4.25 1691 1691 A 70 VAL HG2% A 89 ILE HB 1.0 1.8 4.83 1692 1692 A 70 VAL HG2% A 31 LEU HD1% 1.0 1.8 4.63 1693 1693 A 28 LYS HGx A 30 PHE HE% 1.0 1.8 5.28 1694 1694 A 30 PHE HE% A 28 LYS HGy 1.0 1.8 5.27 1695 1695 A 74 ILE HD1% A 10 LEU HD2% 1.0 1.8 3.19 1696 1696 A 6 LEU HD1% A 10 LEU HD2% 1.0 1.8 3.64 1697 1697 A 9 LEU HD2% A 10 LEU HD2% 1.0 1.8 3.93 1698 1698 A 14 TRP HE3 A 10 LEU HD2% 1.0 1.8 4.07 1699 1699 A 10 LEU HD2% A 14 TRP HZ3 1.0 1.8 3.74 1700 1700 A 10 LEU HD2% A 11 LEU H 1.0 1.8 5.06 1701 1701 A 24 ARG HA A 29 ILE HA 1.0 1.8 4.29 1702 1702 A 29 ILE HD1% A 22 PHE HBx 1.0 1.8 4.70 1703 1703 A 34 MET HE% A 34 MET HGy 1.0 1.8 4.13 1704 1704 A 34 MET HE% A 34 MET HGx 1.0 1.8 4.13 1705 1705 A 54 LEU HD1% A 51 GLN HA 1.0 1.8 3.93 1706 1706 A 51 GLN HA A 54 LEU HD2% 1.0 1.8 5.61 1707 1707 A 87 VAL HG1% A 73 PHE HE% 1.0 1.8 4.53 1708 1708 A 87 VAL HG2% A 73 PHE HE% 1.0 1.8 5.25 1709 1709 A 9 LEU HD1% A 71 LYS HGx 1.0 1.8 4.71 1710 1710 A 9 LEU HD1% A 71 LYS HGy 1.0 1.8 3.89 1711 1711 A 9 LEU HD2% A 71 LYS HGy 1.0 1.8 3.95 1712 1712 A 91 LEU HD1% A 66 GLY HAy 1.0 1.8 4.72 1713 1713 A 91 LEU HD2% A 66 GLY HAy 1.0 1.8 3.72 1714 1714 A 91 LEU HD2% A 66 GLY HAx 1.0 1.8 4.57 1715 1715 A 91 LEU HD1% A 64 LEU HD1% 1.0 1.8 4.38 1716 1716 A 34 MET HA A 34 MET HE% 1.0 1.8 4.17 1717 1717 A 35 TRP H A 34 MET HE% 1.0 1.8 4.81 1718 1718 A 34 MET HE% A 21 GLN HE22 1.0 1.8 5.16 1719 1719 A 35 TRP HZ3 A 34 MET HE% 1.0 1.8 4.39 1720 1720 A 34 MET HE% A 21 GLN HE21 1.0 1.8 5.16 1721 1721 A 34 MET HE% A 35 TRP HZ2 1.0 1.8 5.36 1722 1722 A 34 MET H A 34 MET HE% 1.0 1.8 4.72 1723 1723 A 21 GLN H A 34 MET HE% 1.0 1.8 6.05 1724 1724 A 86 ALA H A 34 MET HE% 1.0 1.8 6.05 1725 1725 A 87 VAL HG2% A 14 TRP HH2 1.0 1.8 5.15 1726 1726 A 58 ALA HB% A 61 LEU HBy 1.0 1.8 5.03 1727 1727 A 45 MET HE% A 53 HIS HD2 1.0 1.8 4.84 1728 1728 A 43 PHE HE% A 45 MET HE% 1.0 1.8 3.87 1729 1729 A 50 TYR HD% A 45 MET HE% 1.0 1.8 4.29 1730 1730 A 45 MET HA A 45 MET HE% 1.0 1.8 4.82 1731 1731 A 50 TYR HA A 45 MET HE% 1.0 1.8 4.26 1732 1732 A 45 MET HE% A 53 HIS HBx 1.0 1.8 4.50 1733 1733 A 45 MET HE% A 53 HIS HBy 1.0 1.8 4.50 1734 1734 A 45 MET HE% A 45 MET HGy 1.0 1.8 4.22 1735 1735 A 45 MET HBx A 45 MET HE% 1.0 1.8 3.78 1736 1736 A 61 LEU HD1% A 1 MET HE% 1.0 1.8 2.90 1737 1737 A 70 VAL HG1% A 1 MET HE% 1.0 1.8 3.38 1738 1738 A 70 VAL HG2% A 1 MET HE% 1.0 1.8 4.09 1739 1739 A 67 ALA HB% A 1 MET HE% 1.0 1.8 3.25 1740 1740 A 71 LYS HGx A 1 MET HE% 1.0 1.8 3.88 1741 1741 A 1 MET HE% A 1 MET HGy 1.0 1.8 3.92 1742 1742 A 1 MET HE% A 1 MET HGx 1.0 1.8 3.92 1743 1743 A 1 MET HE% A 71 LYS HEx 1.0 1.8 6.05 1744 1744 A 1 MET HE% A 71 LYS HEy 1.0 1.8 6.05 1745 1745 A 67 ALA HA A 1 MET HE% 1.0 1.8 3.55 1746 1746 A 6 LEU HA A 1 MET HE% 1.0 1.8 4.21 1747 1747 A 1 MET HE% A 6 LEU H 1.0 1.8 6.05 1748 1748 A 68 VAL H A 1 MET HE% 1.0 1.8 6.05 1749 1749 A 70 VAL H A 1 MET HE% 1.0 1.8 4.66 1750 1750 A 16 TYR HBx A 18 TYR HE% 1.0 1.8 5.16 1751 1751 A 32 GLN HA A 88 SER HA 1.0 1.8 4.72 1752 1752 A 33 VAL HG1% A 18 TYR HBy 1.0 1.8 4.19 1753 1753 A 33 VAL HG1% A 18 TYR HBx 1.0 1.8 4.19 1754 1754 A 5 GLU HA A 8 GLN HBy 1.0 1.8 4.28 1755 1755 A 5 GLU HA A 8 GLN HBx 1.0 1.8 4.28 1756 1756 A 64 LEU HBy A 93 LEU HD2% 1.0 1.8 5.09 1757 1757 A 93 LEU HD2% A 64 LEU HBx 1.0 1.8 5.32 1758 1758 A 93 LEU HD1% A 64 LEU HBx 1.0 1.8 4.48 1759 1759 A 8 GLN HE21 A 8 GLN HA 1.0 1.8 5.07 1760 1760 A 74 ILE HD1% A 9 LEU HBy 1.0 1.8 5.52 1761 1761 A 74 ILE HD1% A 9 LEU HBx 1.0 1.8 4.59 1762 1762 A 74 ILE HG2% A 9 LEU HBy 1.0 1.8 6.05 1763 1763 A 74 ILE HG2% A 9 LEU HBx 1.0 1.8 5.42 1764 1764 A 9 LEU HD1% A 71 LYS HA 1.0 1.8 3.93 1765 1765 A 93 LEU HD1% A 64 LEU HD1% 1.0 1.8 4.69 1766 1766 A 74 ILE HG1x A 33 VAL HG2% 1.0 1.8 5.67 1767 1767 A 33 VAL HG1% A 14 TRP HZ3 1.0 1.8 4.07 1768 1768 A 10 LEU HD1% A 33 VAL HG1% 1.0 1.8 4.13 1769 1769 A 33 VAL HG1% A 10 LEU HD2% 1.0 1.8 4.48 1770 1770 A 81 PRO HBy A 33 VAL HG1% 1.0 1.8 4.99 1771 1771 A 33 VAL HG1% A 81 PRO HDx 1.0 1.8 5.57 1772 1772 A 33 VAL HG1% A 81 PRO HGx 1.0 1.8 4.39 1773 1773 A 9 LEU HD2% A 10 LEU H 1.0 1.8 5.02 1774 1774 A 63 ALA HB% A 62 HIS HBy 1.0 1.8 5.82 1775 1775 A 63 ALA HB% A 62 HIS HBx 1.0 1.8 5.82 1776 1776 A 29 ILE HD1% A 24 ARG HBy 1.0 1.8 5.27 1777 1777 A 64 LEU HD1% A 29 ILE HD1% 1.0 1.8 4.35 1778 1778 A 31 LEU HA A 29 ILE HD1% 1.0 1.8 6.05 1779 1779 A 89 ILE HD1% A 74 ILE HG1y 1.0 1.8 3.98 1780 1780 A 70 VAL HG2% A 89 ILE HD1% 1.0 1.8 3.76 1781 1781 A 86 ALA HA A 34 MET HE% 1.0 1.8 5.50 1782 1782 A 74 ILE HG2% A 13 LYS HEy 1.0 1.8 5.47 1783 1783 A 74 ILE HG2% A 13 LYS HEx 1.0 1.8 5.47 1784 1784 A 74 ILE HG2% A 10 LEU HA 1.0 1.8 5.12 1785 1785 A 74 ILE HG2% A 9 LEU HA 1.0 1.8 5.67 1786 1786 A 74 ILE HG2% A 14 TRP HH2 1.0 1.8 4.97 1787 1787 A 74 ILE HG2% A 14 TRP HZ2 1.0 1.8 5.20 1788 1788 A 97 ALA HB% A 93 LEU HA 1.0 1.8 4.94 1789 1789 A 87 VAL HG1% A 33 VAL HG2% 1.0 1.8 3.77 1790 1790 A 26 GLN HBy A 25 THR HG2% 1.0 1.8 4.21 1791 1791 A 79 GLU HBx A 87 VAL HG1% 1.0 1.8 4.74 1792 1792 A 20 VAL HG2% A 57 VAL HG1% 1.0 1.8 3.10 1793 1793 A 20 VAL HG2% A 10 LEU HD1% 1.0 1.8 4.26 1794 1794 A 20 VAL HG2% A 33 VAL HA 1.0 1.8 5.41 1795 1795 A 20 VAL HG2% A 54 LEU HA 1.0 1.8 5.03 1796 1796 A 20 VAL HG2% A 21 GLN HA 1.0 1.8 5.10 1797 1797 A 20 VAL HG2% A 21 GLN H 1.0 1.8 4.91 1798 1798 A 70 VAL HG1% A 31 LEU HD1% 1.0 1.8 5.13 1799 1799 A 70 VAL HG1% A 31 LEU HD2% 1.0 1.8 3.49 1800 1800 A 68 VAL HG1% A 69 GLN HA 1.0 1.8 4.47 1801 1801 A 68 VAL HG1% A 72 THR HB 1.0 1.8 4.80 1802 1802 A 87 VAL HG2% A 81 PRO HA 1.0 1.8 3.85 1803 1803 A 6 LEU HD1% A 1 MET HE% 1.0 1.8 3.69 1804 1804 A 6 LEU HD1% A 1 MET HGy 1.0 1.8 5.16 1805 1805 A 57 VAL HG2% A 20 VAL HG2% 1.0 1.8 3.44 1806 1806 A 54 LEU HD2% A 7 ARG HBx 1.0 1.8 5.81 1807 1807 A 11 LEU HD2% A 10 LEU HBy 1.0 1.8 5.41 1808 1808 A 11 LEU HD2% A 7 ARG HE 1.0 1.8 5.24 1809 1809 A 67 ALA HB% A 68 VAL HG2% 1.0 1.8 3.93 1810 1810 A 103 LEU H A 103 LEU HD2% 1.0 1.8 4.94 1811 1811 A 38 LEU HD1% A 47 GLU HGy 1.0 1.8 4.74 1812 1812 A 38 LEU HD1% A 43 PHE HBy 1.0 1.8 5.28 1813 1813 A 38 LEU HD1% A 50 TYR HD% 1.0 1.8 4.92 1814 1814 A 91 LEU HD2% A 69 GLN HBx 1.0 1.8 3.95 1815 1815 A 91 LEU HD2% A 69 GLN HBy 1.0 1.8 4.47 1816 1816 A 83 LEU HD1% A 84 GLY HAy 1.0 1.8 4.98 1817 1817 A 7 ARG HA A 10 LEU HD2% 1.0 1.8 5.09 1818 1818 A 18 TYR HD% A 10 LEU HD2% 1.0 1.8 4.28 1819 1819 A 9 LEU HD1% A 12 ASP HBy 1.0 1.8 5.07 1820 1820 A 64 LEU HD1% A 61 LEU HD2% 1.0 1.8 4.53 1821 1821 A 54 LEU HD1% A 50 TYR HE% 1.0 1.8 4.54 1822 1822 A 38 LEU HD2% A 17 SER HBx 1.0 1.8 5.39 1823 1823 A 70 VAL HA A 31 LEU HD2% 1.0 1.8 5.63 1824 1824 A 6 LEU HD2% A 54 LEU HBy 1.0 1.8 4.71 1825 1825 A 6 LEU HD2% A 54 LEU HBx 1.0 1.8 4.71 1826 1826 A 61 LEU HD2% A 1 MET HE% 1.0 1.8 4.57 1827 1827 A 73 PHE HE% A 89 ILE HG1x 1.0 1.8 6.05 1828 1828 A 73 PHE HE% A 89 ILE HG1y 1.0 1.8 6.05 1829 1829 A 20 VAL HB A 61 LEU HD2% 1.0 1.8 6.05 1830 1830 A 61 LEU HD2% A 31 LEU HBx 1.0 1.8 6.05 1831 1831 A 30 PHE HBy A 23 ARG HBy 1.0 1.8 4.86 1832 1832 A 30 PHE HBy A 23 ARG HBx 1.0 1.8 4.46 1833 1833 A 43 PHE HD% A 36 LYS HBy 1.0 1.8 5.05 1834 1834 A 74 ILE HG2% A 9 LEU HG 1.0 1.8 4.09 1835 1835 A 77 THR HG2% A 87 VAL HG1% 1.0 1.8 3.87 1836 1836 A 77 THR HG2% A 87 VAL HG2% 1.0 1.8 4.77 1837 1837 A 77 THR HG2% A 89 ILE HD1% 1.0 1.8 4.77 1838 1838 A 86 ALA HB% A 87 VAL HG2% 1.0 1.8 4.59 1839 1839 A 91 LEU HD2% A 22 PHE HE% 1.0 1.8 4.80 1840 1840 A 74 ILE HD1% A 70 VAL HA 1.0 1.8 5.12 1841 1841 A 74 ILE HD1% A 10 LEU HA 1.0 1.8 5.13 1842 1842 A 14 TRP HE3 A 74 ILE HD1% 1.0 1.8 5.79 1843 1843 A 77 THR HG2% A 74 ILE HD1% 1.0 1.8 5.52 1844 1844 A 73 PHE H A 89 ILE HD1% 1.0 1.8 5.84 1845 1845 A 69 GLN HGx A 89 ILE HG2% 1.0 1.8 6.05 1846 1846 A 74 ILE HG2% A 13 LYS HGy 1.0 1.8 4.81 1847 1847 A 74 ILE HG2% A 13 LYS HGx 1.0 1.8 4.81 1848 1848 A 89 ILE HG2% A 73 PHE HZ 1.0 1.8 5.50 1849 1849 A 61 LEU HBx A 1 MET HE% 1.0 1.8 4.55 1850 1850 A 1 MET HE% A 31 LEU HD2% 1.0 1.8 5.19 1851 1851 A 68 VAL HA A 1 MET HE% 1.0 1.8 5.75 1852 1852 A 70 VAL HA A 1 MET HE% 1.0 1.8 6.05 1853 1853 A 2 THR H A 1 MET HE% 1.0 1.8 6.05 1854 1854 A 72 THR H A 1 MET HE% 1.0 1.8 6.05 1855 1855 A 101 ILE HG2% A 103 LEU HA 1.0 1.8 5.36 1856 1856 A 98 SER HA A 101 ILE HG2% 1.0 1.8 5.29 1857 1857 A 101 ILE HG2% A 102 ILE HB 1.0 1.8 5.47 1858 1858 A 101 ILE HG2% A 103 LEU HG 1.0 1.8 4.55 1859 1859 A 33 VAL HG2% A 31 LEU HD1% 1.0 1.8 5.59 1860 1860 A 74 ILE HG2% A 33 VAL HG2% 1.0 1.8 5.48 1861 1861 A 33 VAL HG2% A 89 ILE HG2% 1.0 1.8 5.98 1862 1862 A 20 VAL HA A 33 VAL HG2% 1.0 1.8 5.37 1863 1863 A 86 ALA HB% A 33 VAL HB 1.0 1.8 4.52 1864 1864 A 77 THR HG2% A 33 VAL HG2% 1.0 1.8 6.05 1865 1865 A 77 THR HG2% A 78 LYS HA 1.0 1.8 5.28 1866 1866 A 25 THR HG2% A 24 ARG HA 1.0 1.8 5.02 1867 1867 A 25 THR HG2% A 30 PHE HE% 1.0 1.8 3.86 1868 1868 A 20 VAL HG2% A 57 VAL HB 1.0 1.8 4.41 1869 1869 A 20 VAL HG2% A 53 HIS HD2 1.0 1.8 5.15 1870 1870 A 20 VAL HG2% A 22 PHE HE% 1.0 1.8 5.61 1871 1871 A 20 VAL HG2% A 22 PHE HZ 1.0 1.8 6.05 1872 1872 A 72 THR HA A 68 VAL HG1% 1.0 1.8 5.21 1873 1873 A 68 VAL HG1% A 69 GLN HGy 1.0 1.8 4.94 1874 1874 A 57 VAL HG1% A 58 ALA HA 1.0 1.8 4.52 1875 1875 A 57 VAL H A 57 VAL HG1% 1.0 1.8 4.42 1876 1876 A 72 THR HG2% A 74 ILE H 1.0 1.8 6.05 1877 1877 A 74 ILE HA A 87 VAL HG1% 1.0 1.8 5.01 1878 1878 A 87 VAL HG1% A 89 ILE HA 1.0 1.8 5.24 1879 1879 A 87 VAL HG1% A 80 ARG HA 1.0 1.8 5.68 1880 1880 A 25 THR HG2% A 26 GLN HA 1.0 1.8 5.41 1881 1881 A 87 VAL HG2% A 81 PRO HGx 1.0 1.8 5.07 1882 1882 A 87 VAL HG1% A 89 ILE H 1.0 1.8 5.40 1883 1883 A 2 THR HG2% A 1 MET HA 1.0 1.8 4.74 1884 1884 A 6 LEU HD1% A 7 ARG HA 1.0 1.8 5.28 1885 1885 A 6 LEU HD1% A 58 ALA HA 1.0 1.8 5.63 1886 1886 A 52 GLU H A 48 THR HG2% 1.0 1.8 5.05 1887 1887 A 57 VAL HG2% A 54 LEU H 1.0 1.8 5.14 1888 1888 A 3 GLY HAx A 54 LEU HD2% 1.0 1.8 6.05 1889 1889 A 54 LEU HD2% A 17 SER HA 1.0 1.8 6.05 1890 1890 A 50 TYR HE% A 54 LEU HD2% 1.0 1.8 4.98 1891 1891 A 7 ARG H A 54 LEU HD2% 1.0 1.8 4.80 1892 1892 A 11 LEU HD2% A 15 GLY HAy 1.0 1.8 4.33 1893 1893 A 64 LEU HD2% A 22 PHE HE% 1.0 1.8 6.05 1894 1894 A 71 LYS HDy A 68 VAL HG2% 1.0 1.8 4.52 1895 1895 A 67 ALA HA A 68 VAL HG2% 1.0 1.8 5.60 1896 1896 A 93 LEU HD2% A 64 LEU HA 1.0 1.8 5.57 1897 1897 A 93 LEU HD2% A 66 GLY HAx 1.0 1.8 4.44 1898 1898 A 38 LEU HD1% A 45 MET HBy 1.0 1.8 4.98 1899 1899 A 38 LEU HD1% A 45 MET HE% 1.0 1.8 5.21 1900 1900 A 61 LEU HD2% A 67 ALA HA 1.0 1.8 4.18 1901 1901 A 70 VAL H A 61 LEU HD2% 1.0 1.8 5.29 1902 1902 A 91 LEU HD2% A 89 ILE HB 1.0 1.8 4.70 1903 1903 A 91 LEU HD2% A 69 GLN HGx 1.0 1.8 4.57 1904 1904 A 83 LEU HD1% A 84 GLY HAx 1.0 1.8 4.98 1905 1905 A 9 LEU HBx A 10 LEU HD2% 1.0 1.8 4.33 1906 1906 A 10 LEU HD2% A 14 TRP HBy 1.0 1.8 5.63 1907 1907 A 18 TYR H A 10 LEU HD2% 1.0 1.8 5.06 1908 1908 A 9 LEU HD1% A 12 ASP HBx 1.0 1.8 5.07 1909 1909 A 70 VAL HG2% A 69 GLN HGx 1.0 1.8 5.32 1910 1910 A 70 VAL HG2% A 69 GLN HGy 1.0 1.8 5.69 1911 1911 A 70 VAL HG2% A 22 PHE HE% 1.0 1.8 5.27 1912 1912 A 11 LEU HD1% A 7 ARG HE 1.0 1.8 4.20 1913 1913 A 54 LEU HD1% A 51 GLN HE21 1.0 1.8 4.98 1914 1914 A 11 LEU HD1% A 12 ASP H 1.0 1.8 5.10 1915 1915 A 32 GLN H A 31 LEU HD2% 1.0 1.8 5.71 1916 1916 A 38 LEU HD2% A 47 GLU H 1.0 1.8 5.02 1917 1917 A 61 LEU HD1% A 31 LEU HD1% 1.0 1.8 4.68 1918 1918 A 61 LEU HBx A 61 LEU HD1% 1.0 1.8 3.86 1919 1919 A 91 LEU HD1% A 30 PHE HA 1.0 1.8 5.41 1920 1920 A 10 LEU HD2% A 9 LEU HG 1.0 1.8 4.59 1921 1921 A 87 VAL HG1% A 79 GLU HBy 1.0 1.8 4.71 1922 1922 A 14 TRP HE1 A 80 ARG HBy 1.0 1.8 5.43 1923 1923 A 14 TRP HE1 A 80 ARG HBx 1.0 1.8 5.43 1924 1924 A 23 ARG HBy A 23 ARG HE 1.0 1.8 5.08 1925 1925 A 23 ARG HBx A 23 ARG HE 1.0 1.8 5.51 1926 1926 A 103 LEU HA A 102 ILE HB 1.0 1.8 5.43 1927 1927 A 38 LEU HD1% A 43 PHE HBx 1.0 1.8 5.28 1928 1928 A 36 LYS HBy A 36 LYS HEx 1.0 1.8 4.99 1929 1929 A 36 LYS HBy A 36 LYS HEy 1.0 1.8 4.99 1930 1930 A 35 TRP HD1 A 36 LYS HEy 1.0 1.8 5.28 1931 1931 A 68 VAL HA A 71 LYS HEx 1.0 1.8 6.05 1932 1932 A 68 VAL HA A 71 LYS HEy 1.0 1.8 6.05 1933 1933 A 9 LEU HBy A 10 LEU HD2% 1.0 1.8 4.93 1934 1934 A 24 ARG H A 23 ARG HDy 1.0 1.8 5.52 1935 1935 A 24 ARG H A 23 ARG HDx 1.0 1.8 5.52 1936 1936 A 83 LEU H A 82 ARG HDx 1.0 1.8 5.43 1937 1937 A 83 LEU H A 82 ARG HDy 1.0 1.8 5.43 1938 1938 A 73 PHE HE% A 90 PRO HDx 1.0 1.8 5.62 1939 1939 A 73 PHE HE% A 90 PRO HDy 1.0 1.8 5.62 1940 1940 A 87 VAL H A 32 GLN HA 1.0 1.8 5.28 1941 1941 A 11 LEU HD2% A 17 SER HA 1.0 1.8 4.86 1942 1942 A 41 ALA HB% A 40 GLN HA 1.0 1.8 4.50 1943 1943 A 22 PHE HA A 29 ILE HG2% 1.0 1.8 6.05 1944 1944 A 22 PHE HA A 23 ARG HBy 1.0 1.8 5.54 1945 1945 A 22 PHE HA A 23 ARG HBx 1.0 1.8 6.05 1946 1946 A 62 HIS HA A 67 ALA H 1.0 1.8 5.36 1947 1947 A 70 VAL HG2% A 69 GLN HA 1.0 1.8 5.50 1948 1948 A 86 ALA HA A 81 PRO HA 1.0 1.8 4.53 1949 1949 A 82 ARG HA A 81 PRO HA 1.0 1.8 4.99 1950 1950 A 76 GLN HBx A 77 THR HA 1.0 1.8 6.05 1951 1951 A 32 GLN HGy A 88 SER HBy 1.0 1.8 5.51 1952 1952 A 32 GLN HGy A 88 SER HBx 1.0 1.8 5.52 1953 1953 A 48 THR HA A 51 GLN HBy 1.0 1.8 4.40 1954 1954 A 51 GLN HBx A 48 THR HA 1.0 1.8 4.43 1955 1955 A 9 LEU HD1% A 75 THR HA 1.0 1.8 4.76 1956 1956 A 76 GLN HGx A 75 THR HB 1.0 1.8 5.12 1957 1957 A 74 ILE HG2% A 14 TRP HZ3 1.0 1.8 4.46 1958 1958 A 74 ILE HD1% A 9 LEU HG 1.0 1.8 4.33 1959 1959 A 74 ILE HA A 14 TRP HH2 1.0 1.8 5.51 1960 1960 A 35 TRP HE1 A 36 LYS HEy 1.0 1.8 5.13 1961 1961 A 101 ILE HD1% A 100 TRP HBx 1.0 1.8 4.98 1962 1962 A 43 PHE HE% A 36 LYS HDx 1.0 1.8 6.05 1963 1963 A 43 PHE HE% A 36 LYS HDy 1.0 1.8 6.05 1964 1964 A 6 LEU HG A 54 LEU HD2% 1.0 1.8 4.29 1965 1965 A 101 ILE HD1% A 100 TRP HZ2 1.0 1.8 4.93 1966 1966 A 80 ARG HA A 14 TRP HZ2 1.0 1.8 4.64 1967 1967 A 77 THR HG2% A 14 TRP HZ2 1.0 1.8 4.07 1968 1968 A 74 ILE HG1y A 14 TRP HZ2 1.0 1.8 4.84 1969 1969 A 87 VAL HG2% A 14 TRP HZ2 1.0 1.8 4.33 1970 1970 A 83 LEU HD1% A 35 TRP HZ2 1.0 1.8 4.49 1971 1971 A 16 TYR HBy A 18 TYR HE% 1.0 1.8 4.44 1972 1972 A 33 VAL HG1% A 18 TYR HE% 1.0 1.8 4.86 1973 1973 A 18 TYR HE% A 81 PRO HGy 1.0 1.8 4.77 1974 1974 A 18 TYR HE% A 81 PRO HGx 1.0 1.8 4.92 1975 1975 A 10 LEU HD1% A 18 TYR HE% 1.0 1.8 5.43 1976 1976 A 81 PRO HBx A 18 TYR HE% 1.0 1.8 5.01 1977 1977 A 81 PRO HDy A 18 TYR HE% 1.0 1.8 4.97 1978 1978 A 81 PRO HBy A 18 TYR HE% 1.0 1.8 4.36 1979 1979 A 14 TRP HBx A 18 TYR HE% 1.0 1.8 3.88 1980 1980 A 14 TRP HBy A 18 TYR HE% 1.0 1.8 4.13 1981 1981 A 18 TYR HE% A 35 TRP HA 1.0 1.8 4.38 1982 1982 A 14 TRP HE3 A 18 TYR HE% 1.0 1.8 4.40 1983 1983 A 14 TRP H A 18 TYR HE% 1.0 1.8 5.10 1984 1984 A 39 GLU H A 37 TYR HE% 1.0 1.8 4.79 1985 1985 A 37 TYR H A 37 TYR HE% 1.0 1.8 5.27 1986 1986 A 37 TYR HE% A 40 GLN HA 1.0 1.8 4.69 1987 1987 A 37 TYR HE% A 39 GLU HBy 1.0 1.8 4.21 1988 1988 A 37 TYR HE% A 39 GLU HBx 1.0 1.8 4.21 1989 1989 A 64 LEU HD2% A 60 TYR HE% 1.0 1.8 4.89 1990 1990 A 64 LEU HD1% A 60 TYR HE% 1.0 1.8 4.74 1991 1991 A 63 ALA HB% A 60 TYR HE% 1.0 1.8 4.44 1992 1992 A 60 TYR HA A 60 TYR HE% 1.0 1.8 4.81 1993 1993 A 22 PHE HD% A 60 TYR HE% 1.0 1.8 5.26 1994 1994 A 22 PHE HE% A 60 TYR HE% 1.0 1.8 5.80 1995 1995 A 60 TYR H A 60 TYR HE% 1.0 1.8 5.94 1996 1996 A 14 TRP H A 14 TRP HE3 1.0 1.8 4.94 1997 1997 A 14 TRP HE3 A 10 LEU HA 1.0 1.8 4.38 1998 1998 A 14 TRP HE3 A 14 TRP HBy 1.0 1.8 4.48 1999 1999 A 14 TRP HE3 A 10 LEU HD1% 1.0 1.8 4.51 2000 2000 A 14 TRP HE3 A 16 TYR HBy 1.0 1.8 5.53 2001 2001 A 14 TRP HE3 A 33 VAL HG1% 1.0 1.8 4.50 2002 2002 A 101 ILE HD1% A 100 TRP HZ3 1.0 1.8 5.47 2003 2003 A 10 LEU HA A 14 TRP HZ3 1.0 1.8 5.07 2004 2004 A 74 ILE HG1y A 14 TRP HH2 1.0 1.8 4.55 2005 2005 A 33 VAL HG1% A 14 TRP HH2 1.0 1.8 4.80 2006 2006 A 86 ALA HB% A 35 TRP HZ3 1.0 1.8 3.88 2007 2007 A 85 LYS HA A 35 TRP HZ3 1.0 1.8 4.57 2008 2008 A 86 ALA H A 35 TRP HZ3 1.0 1.8 4.20 2009 2009 A 85 LYS H A 35 TRP HZ3 1.0 1.8 4.95 2010 2010 A 101 ILE HD1% A 100 TRP HH2 1.0 1.8 4.80 2011 2011 A 35 TRP HH2 A 34 MET HE% 1.0 1.8 4.42 2012 2012 A 86 ALA HB% A 35 TRP HH2 1.0 1.8 5.26 2013 2013 A 35 TRP HH2 A 84 GLY HAx 1.0 1.8 5.36 2014 2014 A 86 ALA H A 35 TRP HH2 1.0 1.8 6.05 2015 2015 A 14 TRP HA A 14 TRP HD1 1.0 1.8 3.60 2016 2016 A 80 ARG HA A 14 TRP HD1 1.0 1.8 4.58 2017 2017 A 14 TRP HD1 A 80 ARG HDy 1.0 1.8 5.76 2018 2018 A 14 TRP HD1 A 80 ARG HDx 1.0 1.8 5.76 2019 2019 A 81 PRO HDx A 14 TRP HD1 1.0 1.8 5.22 2020 2020 A 14 TRP HD1 A 80 ARG HGy 1.0 1.8 4.44 2021 2021 A 14 TRP HD1 A 80 ARG HGx 1.0 1.8 4.44 2022 2022 A 101 ILE HD1% A 100 TRP HD1 1.0 1.8 4.40 2023 2023 A 97 ALA HB% A 100 TRP HD1 1.0 1.8 4.60 2024 2024 A 98 SER HA A 100 TRP HD1 1.0 1.8 5.38 2025 2025 A 97 ALA HA A 100 TRP HD1 1.0 1.8 4.50 2026 2026 A 100 TRP HA A 100 TRP HD1 1.0 1.8 5.04 2027 2027 A 100 TRP H A 100 TRP HD1 1.0 1.8 4.21 2028 2028 A 99 GLU H A 100 TRP HD1 1.0 1.8 4.96 2029 2029 A 36 LYS HA A 35 TRP HD1 1.0 1.8 5.10 2030 2030 A 35 TRP HD1 A 35 TRP HA 1.0 1.8 4.96 2031 2031 A 35 TRP HD1 A 36 LYS HEx 1.0 1.8 5.28 2032 2032 A 83 LEU HA A 35 TRP HD1 1.0 1.8 4.57 2033 2033 A 35 TRP HD1 A 36 LYS HGy 1.0 1.8 4.52 2034 2034 A 35 TRP HD1 A 36 LYS HGx 1.0 1.8 4.52 2035 2035 A 83 LEU HD1% A 35 TRP HD1 1.0 1.8 4.07 2036 2036 A 36 LYS HBy A 43 PHE HZ 1.0 1.8 4.86 2037 2037 A 45 MET HE% A 43 PHE HZ 1.0 1.8 5.10 2038 2038 A 43 PHE HZ A 19 ASP HBx 1.0 1.8 4.84 2039 2039 A 19 ASP HA A 43 PHE HZ 1.0 1.8 5.54 2040 2040 A 43 PHE HD% A 43 PHE HZ 1.0 1.8 4.60 2041 2041 A 45 MET H A 43 PHE HE% 1.0 1.8 4.83 2042 2042 A 36 LYS HA A 43 PHE HE% 1.0 1.8 5.59 2043 2043 A 43 PHE HE% A 37 TYR HA 1.0 1.8 5.94 2044 2044 A 43 PHE HE% A 19 ASP HBy 1.0 1.8 4.84 2045 2045 A 43 PHE HE% A 19 ASP HBx 1.0 1.8 4.84 2046 2046 A 43 PHE HE% A 45 MET HBx 1.0 1.8 5.16 2047 2047 A 36 LYS HBy A 43 PHE HE% 1.0 1.8 4.29 2048 2048 A 45 MET HBy A 43 PHE HE% 1.0 1.8 4.03 2049 2049 A 36 LYS HBx A 43 PHE HE% 1.0 1.8 4.65 2050 2050 A 38 LEU HD1% A 43 PHE HE% 1.0 1.8 4.44 2051 2051 A 57 VAL HG1% A 22 PHE HE% 1.0 1.8 3.88 2052 2052 A 91 LEU HD1% A 22 PHE HE% 1.0 1.8 3.82 2053 2053 A 22 PHE HE% A 61 LEU HD2% 1.0 1.8 4.17 2054 2054 A 28 LYS HBy A 30 PHE HD% 1.0 1.8 5.06 2055 2055 A 30 PHE HD% A 28 LYS HBx 1.0 1.8 4.92 2056 2056 A 30 PHE HD% A 23 ARG HBx 1.0 1.8 4.91 2057 2057 A 30 PHE HD% A 90 PRO HA 1.0 1.8 4.39 2058 2058 A 88 SER HBy A 30 PHE HD% 1.0 1.8 5.81 2059 2059 A 30 PHE HD% A 30 PHE HA 1.0 1.8 4.81 2060 2060 A 22 PHE HD% A 22 PHE HA 1.0 1.8 4.31 2061 2061 A 91 LEU HD1% A 22 PHE HD% 1.0 1.8 4.05 2062 2062 A 29 ILE HD1% A 22 PHE HD% 1.0 1.8 4.21 2063 2063 A 77 THR HG2% A 73 PHE HD% 1.0 1.8 4.28 2064 2064 A 74 ILE HG1y A 73 PHE HD% 1.0 1.8 4.37 2065 2065 A 87 VAL HG1% A 73 PHE HD% 1.0 1.8 4.70 2066 2066 A 89 ILE HG2% A 73 PHE HD% 1.0 1.8 3.98 2067 2067 A 89 ILE HD1% A 73 PHE HD% 1.0 1.8 3.63 2068 2068 A 74 ILE HG1x A 73 PHE HD% 1.0 1.8 4.43 2069 2069 A 74 ILE HA A 73 PHE HD% 1.0 1.8 4.07 2070 2070 A 73 PHE HA A 73 PHE HD% 1.0 1.8 4.17 2071 2071 A 73 PHE H A 73 PHE HD% 1.0 1.8 4.65 2072 2072 A 74 ILE H A 73 PHE HD% 1.0 1.8 4.59 2073 2073 A 60 TYR H A 60 TYR HD% 1.0 1.8 4.20 2074 2074 A 61 LEU H A 60 TYR HD% 1.0 1.8 5.36 2075 2075 A 22 PHE HE% A 60 TYR HD% 1.0 1.8 3.85 2076 2076 A 60 TYR HA A 60 TYR HD% 1.0 1.8 3.55 2077 2077 A 57 VAL HA A 60 TYR HD% 1.0 1.8 4.52 2078 2078 A 63 ALA HB% A 60 TYR HD% 1.0 1.8 4.11 2079 2079 A 64 LEU HG A 60 TYR HD% 1.0 1.8 4.51 2080 2080 A 57 VAL HG2% A 60 TYR HD% 1.0 1.8 4.32 2081 2081 A 64 LEU HD1% A 60 TYR HD% 1.0 1.8 4.20 2082 2082 A 61 LEU HD2% A 60 TYR HD% 1.0 1.8 5.39 2083 2083 A 38 LEU HD1% A 43 PHE HD% 1.0 1.8 3.67 2084 2084 A 43 PHE HD% A 45 MET HE% 1.0 1.8 3.94 2085 2085 A 43 PHE HD% A 36 LYS HBx 1.0 1.8 4.65 2086 2086 A 43 PHE HD% A 45 MET HBx 1.0 1.8 4.55 2087 2087 A 43 PHE HD% A 38 LEU HA 1.0 1.8 4.28 2088 2088 A 43 PHE HD% A 45 MET HA 1.0 1.8 5.08 2089 2089 A 43 PHE HA A 43 PHE HD% 1.0 1.8 3.94 2090 2090 A 43 PHE HD% A 43 PHE H 1.0 1.8 4.28 2091 2091 A 40 GLN H A 43 PHE HD% 1.0 1.8 5.62 2092 2092 A 45 MET H A 43 PHE HD% 1.0 1.8 3.78 2093 2093 A 16 TYR HA A 16 TYR HD% 1.0 1.8 3.73 2094 2094 A 15 GLY HAy A 16 TYR HD% 1.0 1.8 5.68 2095 2095 A 15 GLY HAx A 16 TYR HD% 1.0 1.8 4.77 2096 2096 A 37 TYR HBx A 16 TYR HD% 1.0 1.8 4.36 2097 2097 A 11 LEU HD2% A 16 TYR HD% 1.0 1.8 4.97 2098 2098 A 37 TYR HD% A 16 TYR HD% 1.0 1.8 4.04 2099 2099 A 16 TYR H A 16 TYR HD% 1.0 1.8 4.65 2100 2100 A 17 SER H A 16 TYR HD% 1.0 1.8 4.77 2101 2101 A 18 TYR HD% A 19 ASP H 1.0 1.8 4.38 2102 2102 A 18 TYR HD% A 18 TYR H 1.0 1.8 4.07 2103 2103 A 18 TYR HD% A 35 TRP HA 1.0 1.8 4.57 2104 2104 A 10 LEU HA A 18 TYR HD% 1.0 1.8 4.86 2105 2105 A 18 TYR HD% A 10 LEU HD1% 1.0 1.8 3.95 2106 2106 A 18 TYR HD% A 33 VAL HG1% 1.0 1.8 3.92 2107 2107 A 37 TYR HD% A 39 GLU HGy 1.0 1.8 5.42 2108 2108 A 37 TYR HD% A 39 GLU HA 1.0 1.8 4.87 2109 2109 A 40 GLN H A 37 TYR HD% 1.0 1.8 4.25 2110 2110 A 86 ALA HB% A 35 TRP HE3 1.0 1.8 4.05 2111 2111 A 101 ILE HD1% A 100 TRP HE3 1.0 1.8 4.74 2112 2112 A 35 TRP HE3 A 34 MET HE% 1.0 1.8 4.26 2113 2113 A 35 TRP HE3 A 35 TRP H 1.0 1.8 4.77 2114 2114 A 62 HIS H A 62 HIS HD2 1.0 1.8 6.05 2115 2115 A 35 TRP HE3 A 87 VAL H 1.0 1.8 6.05 2116 2116 A 62 HIS HA A 62 HIS HD2 1.0 1.8 4.33 2117 2117 A 86 ALA HA A 35 TRP HE3 1.0 1.8 4.61 2118 2118 A 77 THR HG2% A 73 PHE HZ 1.0 1.8 4.94 2119 2119 A 30 PHE HD% A 30 PHE HZ 1.0 1.8 4.33 2120 2120 A 28 LYS HDy A 30 PHE HZ 1.0 1.8 4.03 2121 2121 A 25 THR HG2% A 30 PHE HZ 1.0 1.8 4.84 2122 2122 A 22 PHE HZ A 60 TYR HD% 1.0 1.8 4.92 2123 2123 A 22 PHE HZ A 61 LEU HA 1.0 1.8 5.03 2124 2124 A 22 PHE HZ A 57 VAL HA 1.0 1.8 4.97 2125 2125 A 22 PHE HZ A 60 TYR HBy 1.0 1.8 4.80 2126 2126 A 22 PHE HZ A 60 TYR HBx 1.0 1.8 4.80 2127 2127 A 22 PHE HZ A 61 LEU HG 1.0 1.8 4.35 2128 2128 A 91 LEU HD1% A 22 PHE HZ 1.0 1.8 5.43 2129 2129 A 57 VAL HG1% A 22 PHE HZ 1.0 1.8 3.88 2130 2130 A 21 GLN HA A 22 PHE HD% 1.0 1.8 5.46 2131 2131 A 31 LEU HA A 22 PHE HD% 1.0 1.8 4.98 2132 2132 A 19 ASP H A 43 PHE HE% 1.0 1.8 5.30 2133 2133 A 61 LEU H A 22 PHE HZ 1.0 1.8 4.82 2134 2134 A 57 VAL HG2% A 53 HIS HE1 1.0 1.8 3.94 2135 2135 A 14 TRP HE3 A 18 TYR HD% 1.0 1.8 4.22 2136 2136 A 22 PHE HD% A 29 ILE HG1x 1.0 1.8 5.14 2137 2137 A 22 PHE HD% A 29 ILE HG1y 1.0 1.8 5.14 2138 2138 A 37 TYR HD% A 39 GLU HBy 1.0 1.8 4.14 2139 2139 A 37 TYR HD% A 39 GLU HBx 1.0 1.8 4.14 2140 2140 A 16 TYR HBy A 18 TYR HD% 1.0 1.8 4.46 2141 2141 A 97 ALA HB% A 100 TRP HZ2 1.0 1.8 6.05 2142 2142 A 81 PRO HDx A 14 TRP HZ2 1.0 1.8 4.81 2143 2143 A 87 VAL HB A 14 TRP HZ2 1.0 1.8 5.43 2144 2144 A 54 LEU HA A 53 HIS HD2 1.0 1.8 5.39 2145 2145 A 54 LEU HD2% A 53 HIS HD2 1.0 1.8 4.14 2146 2146 A 53 HIS H A 53 HIS HD2 1.0 1.8 5.50 2147 2147 A 20 VAL H A 53 HIS HD2 1.0 1.8 4.88 2148 2148 A 18 TYR HD% A 10 LEU HBy 1.0 1.8 4.09 2149 2149 A 22 PHE HE% A 60 TYR HBy 1.0 1.8 5.20 2150 2150 A 73 PHE HD% A 89 ILE HG1y 1.0 1.8 4.97 2151 2151 A 73 PHE HD% A 89 ILE HG1x 1.0 1.8 4.97 2152 2152 A 14 TRP HA A 18 TYR HE% 1.0 1.8 5.31 2153 2153 A 101 ILE H A 100 TRP HD1 1.0 1.8 4.85 2154 2154 A 28 LYS HBy A 30 PHE HZ 1.0 1.8 4.89 2155 2155 A 100 TRP HA A 100 TRP HE3 1.0 1.8 4.65 2156 2156 A 16 TYR HBx A 18 TYR HD% 1.0 1.8 4.47 2157 2157 A 16 TYR HA A 16 TYR HE% 1.0 1.8 4.84 2158 2158 A 1 MET HA A 1 MET HGx 1.0 1.8 3.92 2159 2158 A 1 MET HA A 1 MET HGy 1.0 1.8 3.92 2160 2159 A 1 MET HA A 5 GLU HBx 1.0 1.8 5.67 2161 2159 A 1 MET HA A 5 GLU HBy 1.0 1.8 5.67 2162 2160 A 1 MET HE% A 1 MET HBx 1.0 1.8 3.90 2163 2160 A 1 MET HE% A 1 MET HBy 1.0 1.8 3.90 2164 2161 A 67 ALA HB% A 1 MET HBx 1.0 1.8 3.52 2165 2161 A 67 ALA HB% A 1 MET HBy 1.0 1.8 3.52 2166 2162 A 2 THR H A 1 MET HGx 1.0 1.8 4.08 2167 2162 A 2 THR H A 1 MET HGy 1.0 1.8 4.08 2168 2163 A 6 LEU H A 1 MET HGx 1.0 1.8 4.23 2169 2163 A 6 LEU H A 1 MET HGy 1.0 1.8 4.23 2170 2164 A 1 MET HGx A 6 LEU HBx 1.0 1.8 5.02 2171 2164 A 1 MET HGy A 6 LEU HBx 1.0 1.8 5.02 2172 2164 A 6 LEU HBy A 1 MET HGx 1.0 1.8 5.02 2173 2164 A 1 MET HGy A 6 LEU HBy 1.0 1.8 5.02 2174 2165 A 6 LEU HD1% A 1 MET HGx 1.0 1.8 4.52 2175 2165 A 6 LEU HD1% A 1 MET HGy 1.0 1.8 4.52 2176 2166 A 58 ALA HB% A 1 MET HGx 1.0 1.8 4.15 2177 2166 A 58 ALA HB% A 1 MET HGy 1.0 1.8 4.15 2178 2167 A 61 LEU HD1% A 1 MET HGx 1.0 1.8 4.93 2179 2167 A 61 LEU HD1% A 1 MET HGy 1.0 1.8 4.93 2180 2168 A 67 ALA HB% A 1 MET HGx 1.0 1.8 4.66 2181 2168 A 67 ALA HB% A 1 MET HGy 1.0 1.8 4.66 2182 2169 A 71 LYS HGx A 1 MET HGx 1.0 1.8 5.25 2183 2169 A 71 LYS HGx A 1 MET HGy 1.0 1.8 5.25 2184 2170 A 71 LYS HDx A 1 MET HGx 1.0 1.8 5.84 2185 2170 A 71 LYS HDx A 1 MET HGy 1.0 1.8 5.84 2186 2171 A 2 THR H A 5 GLU HBx 1.0 1.8 3.99 2187 2171 A 2 THR H A 5 GLU HBy 1.0 1.8 3.99 2188 2172 A 2 THR H A 5 GLU HGx 1.0 1.8 4.59 2189 2172 A 2 THR H A 5 GLU HGy 1.0 1.8 4.59 2190 2173 A 2 THR HB A 4 GLN HBy 1.0 1.8 4.87 2191 2173 A 2 THR HB A 4 GLN HBx 1.0 1.8 4.87 2192 2174 A 2 THR HG2% A 4 GLN HGx 1.0 1.8 5.04 2193 2174 A 2 THR HG2% A 4 GLN HGy 1.0 1.8 5.04 2194 2175 A 2 THR HG2% A 5 GLU HGx 1.0 1.8 5.56 2195 2175 A 2 THR HG2% A 5 GLU HGy 1.0 1.8 5.56 2196 2176 A 3 GLY H A 4 GLN HBy 1.0 1.8 5.09 2197 2176 A 3 GLY H A 4 GLN HBx 1.0 1.8 5.09 2198 2177 A 3 GLY H A 6 LEU HBx 1.0 1.8 5.87 2199 2177 A 3 GLY H A 6 LEU HBy 1.0 1.8 5.87 2200 2178 A 3 GLY HAy A 6 LEU HBx 1.0 1.8 5.02 2201 2178 A 3 GLY HAy A 6 LEU HBy 1.0 1.8 5.02 2202 2179 A 51 GLN HE21 A 3 GLY HAy 1.0 1.8 5.36 2203 2179 A 51 GLN HE22 A 3 GLY HAy 1.0 1.8 5.36 2204 2180 A 3 GLY HAx A 4 GLN HBy 1.0 1.8 5.87 2205 2180 A 3 GLY HAx A 4 GLN HBx 1.0 1.8 5.87 2206 2181 A 3 GLY HAx A 6 LEU HBx 1.0 1.8 5.87 2207 2181 A 3 GLY HAx A 6 LEU HBy 1.0 1.8 5.87 2208 2182 A 3 GLY HAx A 51 GLN HE21 1.0 1.8 4.64 2209 2182 A 51 GLN HE22 A 3 GLY HAx 1.0 1.8 4.64 2210 2183 A 3 GLY HAx A 54 LEU HBx 1.0 1.8 4.84 2211 2183 A 3 GLY HAx A 54 LEU HBy 1.0 1.8 4.84 2212 2184 A 4 GLN H A 4 GLN HBy 1.0 1.8 3.29 2213 2184 A 4 GLN H A 4 GLN HBx 1.0 1.8 3.29 2214 2185 A 4 GLN H A 4 GLN HGx 1.0 1.8 4.82 2215 2185 A 4 GLN H A 4 GLN HGy 1.0 1.8 4.82 2216 2186 A 51 GLN HE21 A 4 GLN H 1.0 1.8 5.09 2217 2186 A 51 GLN HE22 A 4 GLN H 1.0 1.8 5.09 2218 2187 A 4 GLN HA A 51 GLN HE21 1.0 1.8 4.23 2219 2187 A 51 GLN HE22 A 4 GLN HA 1.0 1.8 4.23 2220 2188 A 5 GLU H A 4 GLN HBy 1.0 1.8 3.83 2221 2188 A 5 GLU H A 4 GLN HBx 1.0 1.8 3.83 2222 2189 A 51 GLN HE22 A 4 GLN HBx 1.0 1.8 5.24 2223 2189 A 51 GLN HE21 A 4 GLN HBy 1.0 1.8 5.24 2224 2189 A 51 GLN HE21 A 4 GLN HBx 1.0 1.8 5.24 2225 2189 A 51 GLN HE22 A 4 GLN HBy 1.0 1.8 5.24 2226 2190 A 4 GLN HE21 A 4 GLN HGx 1.0 1.8 3.53 2227 2190 A 4 GLN HE22 A 4 GLN HGx 1.0 1.8 3.53 2228 2190 A 4 GLN HGy A 4 GLN HE22 1.0 1.8 3.53 2229 2190 A 4 GLN HGy A 4 GLN HE21 1.0 1.8 3.53 2230 2191 A 5 GLU H A 4 GLN HGx 1.0 1.8 4.68 2231 2191 A 5 GLU H A 4 GLN HGy 1.0 1.8 4.68 2232 2192 A 5 GLU H A 5 GLU HGx 1.0 1.8 3.64 2233 2192 A 5 GLU H A 5 GLU HGy 1.0 1.8 3.64 2234 2193 A 5 GLU HA A 5 GLU HGx 1.0 1.8 3.82 2235 2193 A 5 GLU HA A 5 GLU HGy 1.0 1.8 3.82 2236 2194 A 5 GLU HA A 8 GLN HBy 1.0 1.8 3.52 2237 2194 A 5 GLU HA A 8 GLN HBx 1.0 1.8 3.52 2238 2195 A 5 GLU HA A 8 GLN HGx 1.0 1.8 4.66 2239 2195 A 5 GLU HA A 8 GLN HGy 1.0 1.8 4.66 2240 2196 A 6 LEU H A 5 GLU HGx 1.0 1.8 5.09 2241 2196 A 6 LEU H A 5 GLU HGy 1.0 1.8 5.09 2242 2197 A 6 LEU HD1% A 6 LEU HBx 1.0 1.8 3.42 2243 2197 A 6 LEU HD1% A 6 LEU HBy 1.0 1.8 3.42 2244 2198 A 7 ARG H A 6 LEU HBx 1.0 1.8 4.09 2245 2198 A 7 ARG H A 6 LEU HBy 1.0 1.8 4.09 2246 2199 A 9 LEU H A 6 LEU HBx 1.0 1.8 5.87 2247 2199 A 9 LEU H A 6 LEU HBy 1.0 1.8 5.87 2248 2200 A 54 LEU HD2% A 6 LEU HBx 1.0 1.8 5.37 2249 2200 A 54 LEU HD2% A 6 LEU HBy 1.0 1.8 5.37 2250 2201 A 58 ALA HB% A 6 LEU HBx 1.0 1.8 4.30 2251 2201 A 58 ALA HB% A 6 LEU HBy 1.0 1.8 4.30 2252 2202 A 6 LEU HD2% A 54 LEU HBx 1.0 1.8 4.09 2253 2202 A 6 LEU HD2% A 54 LEU HBy 1.0 1.8 4.09 2254 2203 A 7 ARG H A 7 ARG HGy 1.0 1.8 4.77 2255 2203 A 7 ARG H A 7 ARG HGx 1.0 1.8 4.77 2256 2204 A 7 ARG H A 7 ARG HDy 1.0 1.8 5.33 2257 2204 A 7 ARG H A 7 ARG HDx 1.0 1.8 5.33 2258 2205 A 51 GLN HE21 A 7 ARG HBy 1.0 1.8 5.87 2259 2205 A 51 GLN HE22 A 7 ARG HBy 1.0 1.8 5.87 2260 2206 A 8 GLN H A 7 ARG HGy 1.0 1.8 4.77 2261 2206 A 8 GLN H A 7 ARG HGx 1.0 1.8 4.77 2262 2207 A 11 LEU HD1% A 7 ARG HGy 1.0 1.8 4.52 2263 2207 A 11 LEU HD1% A 7 ARG HGx 1.0 1.8 4.52 2264 2208 A 7 ARG HGx A 17 SER HBx 1.0 1.8 5.24 2265 2208 A 7 ARG HGy A 17 SER HBx 1.0 1.8 5.24 2266 2208 A 17 SER HBy A 7 ARG HGy 1.0 1.8 5.24 2267 2208 A 7 ARG HGx A 17 SER HBy 1.0 1.8 5.24 2268 2209 A 54 LEU HD1% A 7 ARG HGy 1.0 1.8 4.40 2269 2209 A 54 LEU HD1% A 7 ARG HGx 1.0 1.8 4.40 2270 2210 A 11 LEU HD1% A 7 ARG HDy 1.0 1.8 5.36 2271 2210 A 11 LEU HD1% A 7 ARG HDx 1.0 1.8 5.36 2272 2211 A 7 ARG HDx A 17 SER HBx 1.0 1.8 5.70 2273 2211 A 7 ARG HDy A 17 SER HBx 1.0 1.8 5.70 2274 2211 A 17 SER HBy A 7 ARG HDy 1.0 1.8 5.70 2275 2211 A 7 ARG HDx A 17 SER HBy 1.0 1.8 5.70 2276 2212 A 54 LEU HD1% A 7 ARG HDy 1.0 1.8 5.40 2277 2212 A 54 LEU HD1% A 7 ARG HDx 1.0 1.8 5.40 2278 2213 A 54 LEU HD2% A 7 ARG HDy 1.0 1.8 5.87 2279 2213 A 54 LEU HD2% A 7 ARG HDx 1.0 1.8 5.87 2280 2214 A 7 ARG HE A 17 SER HBx 1.0 1.8 5.01 2281 2214 A 7 ARG HE A 17 SER HBy 1.0 1.8 5.01 2282 2215 A 8 GLN H A 8 GLN HBy 1.0 1.8 3.34 2283 2215 A 8 GLN H A 8 GLN HBx 1.0 1.8 3.34 2284 2216 A 8 GLN H A 8 GLN HGx 1.0 1.8 3.92 2285 2216 A 8 GLN H A 8 GLN HGy 1.0 1.8 3.92 2286 2217 A 8 GLN HE22 A 8 GLN HBy 1.0 1.8 4.98 2287 2217 A 8 GLN HE22 A 8 GLN HBx 1.0 1.8 4.98 2288 2218 A 9 LEU H A 8 GLN HBy 1.0 1.8 3.64 2289 2218 A 9 LEU H A 8 GLN HBx 1.0 1.8 3.64 2290 2219 A 8 GLN HE21 A 8 GLN HGx 1.0 1.8 3.32 2291 2219 A 8 GLN HE21 A 8 GLN HGy 1.0 1.8 3.32 2292 2220 A 8 GLN HE22 A 8 GLN HGx 1.0 1.8 3.75 2293 2220 A 8 GLN HE22 A 8 GLN HGy 1.0 1.8 3.75 2294 2221 A 9 LEU H A 8 GLN HGx 1.0 1.8 4.99 2295 2221 A 9 LEU H A 8 GLN HGy 1.0 1.8 4.99 2296 2222 A 9 LEU HA A 12 ASP HBx 1.0 1.8 4.35 2297 2222 A 9 LEU HA A 12 ASP HBy 1.0 1.8 4.35 2298 2223 A 9 LEU HD1% A 12 ASP HBx 1.0 1.8 4.33 2299 2223 A 9 LEU HD1% A 12 ASP HBy 1.0 1.8 4.33 2300 2224 A 9 LEU HD1% A 71 LYS HEy 1.0 1.8 4.96 2301 2224 A 9 LEU HD1% A 71 LYS HEx 1.0 1.8 4.96 2302 2225 A 10 LEU HD1% A 18 TYR HBx 1.0 1.8 4.33 2303 2225 A 10 LEU HD1% A 18 TYR HBy 1.0 1.8 4.33 2304 2226 A 10 LEU HD2% A 18 TYR HBx 1.0 1.8 4.74 2305 2226 A 10 LEU HD2% A 18 TYR HBy 1.0 1.8 4.74 2306 2227 A 11 LEU HD2% A 17 SER HBx 1.0 1.8 5.60 2307 2227 A 11 LEU HD2% A 17 SER HBy 1.0 1.8 5.60 2308 2228 A 12 ASP H A 12 ASP HBx 1.0 1.8 3.37 2309 2228 A 12 ASP H A 12 ASP HBy 1.0 1.8 3.37 2310 2229 A 13 LYS H A 12 ASP HBx 1.0 1.8 3.90 2311 2229 A 13 LYS H A 12 ASP HBy 1.0 1.8 3.90 2312 2230 A 13 LYS H A 13 LYS HGx 1.0 1.8 4.64 2313 2230 A 13 LYS H A 13 LYS HGy 1.0 1.8 4.64 2314 2231 A 13 LYS H A 13 LYS HDy 1.0 1.8 5.17 2315 2231 A 13 LYS H A 13 LYS HDx 1.0 1.8 5.17 2316 2232 A 13 LYS HA A 13 LYS HDy 1.0 1.8 3.71 2317 2232 A 13 LYS HA A 13 LYS HDx 1.0 1.8 3.71 2318 2233 A 13 LYS HA A 13 LYS HEx 1.0 1.8 4.81 2319 2233 A 13 LYS HA A 13 LYS HEy 1.0 1.8 4.81 2320 2234 A 13 LYS HBy A 13 LYS HDy 1.0 1.8 3.34 2321 2234 A 13 LYS HBy A 13 LYS HDx 1.0 1.8 3.34 2322 2235 A 14 TRP H A 13 LYS HGx 1.0 1.8 4.97 2323 2235 A 14 TRP H A 13 LYS HGy 1.0 1.8 4.97 2324 2236 A 14 TRP HD1 A 13 LYS HGx 1.0 1.8 5.06 2325 2236 A 14 TRP HD1 A 13 LYS HGy 1.0 1.8 5.06 2326 2237 A 74 ILE HG2% A 13 LYS HGx 1.0 1.8 4.16 2327 2237 A 74 ILE HG2% A 13 LYS HGy 1.0 1.8 4.16 2328 2238 A 74 ILE HG2% A 13 LYS HDy 1.0 1.8 4.65 2329 2238 A 74 ILE HG2% A 13 LYS HDx 1.0 1.8 4.65 2330 2239 A 77 THR HG2% A 13 LYS HDy 1.0 1.8 5.78 2331 2239 A 77 THR HG2% A 13 LYS HDx 1.0 1.8 5.78 2332 2240 A 14 TRP HE1 A 13 LYS HEx 1.0 1.8 4.97 2333 2240 A 14 TRP HE1 A 13 LYS HEy 1.0 1.8 4.97 2334 2241 A 74 ILE HG2% A 13 LYS HEx 1.0 1.8 4.76 2335 2241 A 74 ILE HG2% A 13 LYS HEy 1.0 1.8 4.76 2336 2242 A 77 THR HG2% A 13 LYS HEx 1.0 1.8 4.05 2337 2242 A 77 THR HG2% A 13 LYS HEy 1.0 1.8 4.05 2338 2243 A 14 TRP HD1 A 80 ARG HBy 1.0 1.8 5.70 2339 2243 A 14 TRP HD1 A 80 ARG HBx 1.0 1.8 5.70 2340 2244 A 14 TRP HD1 A 80 ARG HGy 1.0 1.8 3.84 2341 2244 A 14 TRP HD1 A 80 ARG HGx 1.0 1.8 3.84 2342 2245 A 14 TRP HD1 A 80 ARG HDy 1.0 1.8 4.91 2343 2245 A 14 TRP HD1 A 80 ARG HDx 1.0 1.8 4.91 2344 2246 A 14 TRP HE3 A 18 TYR HBx 1.0 1.8 5.21 2345 2246 A 14 TRP HE3 A 18 TYR HBy 1.0 1.8 5.21 2346 2247 A 14 TRP HE1 A 80 ARG HBy 1.0 1.8 4.71 2347 2247 A 14 TRP HE1 A 80 ARG HBx 1.0 1.8 4.71 2348 2248 A 14 TRP HE1 A 80 ARG HGy 1.0 1.8 3.99 2349 2248 A 14 TRP HE1 A 80 ARG HGx 1.0 1.8 3.99 2350 2249 A 16 TYR HD% A 39 GLU HBx 1.0 1.8 5.86 2351 2249 A 16 TYR HD% A 39 GLU HBy 1.0 1.8 5.86 2352 2250 A 16 TYR HD% A 39 GLU HGx 1.0 1.8 5.87 2353 2250 A 16 TYR HD% A 39 GLU HGy 1.0 1.8 5.87 2354 2251 A 38 LEU H A 17 SER HBx 1.0 1.8 4.58 2355 2251 A 38 LEU H A 17 SER HBy 1.0 1.8 4.58 2356 2252 A 17 SER HBx A 38 LEU HBx 1.0 1.8 4.96 2357 2252 A 17 SER HBy A 38 LEU HBx 1.0 1.8 4.96 2358 2252 A 38 LEU HBy A 17 SER HBx 1.0 1.8 4.96 2359 2252 A 17 SER HBy A 38 LEU HBy 1.0 1.8 4.96 2360 2253 A 38 LEU HD2% A 17 SER HBx 1.0 1.8 4.65 2361 2253 A 38 LEU HD2% A 17 SER HBy 1.0 1.8 4.65 2362 2254 A 18 TYR H A 18 TYR HBx 1.0 1.8 3.71 2363 2254 A 18 TYR H A 18 TYR HBy 1.0 1.8 3.71 2364 2255 A 19 ASP H A 18 TYR HBx 1.0 1.8 4.36 2365 2255 A 19 ASP H A 18 TYR HBy 1.0 1.8 4.36 2366 2256 A 33 VAL HG1% A 18 TYR HBx 1.0 1.8 3.67 2367 2256 A 33 VAL HG1% A 18 TYR HBy 1.0 1.8 3.67 2368 2257 A 19 ASP H A 19 ASP HBx 1.0 1.8 3.88 2369 2257 A 19 ASP H A 19 ASP HBy 1.0 1.8 3.88 2370 2258 A 43 PHE HE% A 19 ASP HBx 1.0 1.8 4.11 2371 2258 A 43 PHE HE% A 19 ASP HBy 1.0 1.8 4.11 2372 2259 A 43 PHE HZ A 19 ASP HBx 1.0 1.8 4.25 2373 2259 A 43 PHE HZ A 19 ASP HBy 1.0 1.8 4.25 2374 2260 A 20 VAL HA A 34 MET HGx 1.0 1.8 5.05 2375 2260 A 20 VAL HA A 34 MET HGy 1.0 1.8 5.05 2376 2261 A 21 GLN H A 21 GLN HGx 1.0 1.8 4.44 2377 2261 A 21 GLN H A 21 GLN HGy 1.0 1.8 4.44 2378 2262 A 21 GLN H A 21 GLN HE21 1.0 1.8 5.87 2379 2262 A 21 GLN H A 21 GLN HE22 1.0 1.8 5.87 2380 2263 A 21 GLN HA A 21 GLN HGx 1.0 1.8 4.11 2381 2263 A 21 GLN HA A 21 GLN HGy 1.0 1.8 4.11 2382 2264 A 21 GLN HE21 A 21 GLN HBx 1.0 1.8 4.04 2383 2264 A 21 GLN HE22 A 21 GLN HBy 1.0 1.8 4.04 2384 2264 A 21 GLN HE22 A 21 GLN HBx 1.0 1.8 4.04 2385 2264 A 21 GLN HE21 A 21 GLN HBy 1.0 1.8 4.04 2386 2265 A 22 PHE H A 21 GLN HBy 1.0 1.8 4.20 2387 2265 A 22 PHE H A 21 GLN HBx 1.0 1.8 4.20 2388 2266 A 21 GLN HBx A 34 MET HGx 1.0 1.8 4.60 2389 2266 A 21 GLN HBy A 34 MET HGx 1.0 1.8 4.60 2390 2266 A 34 MET HGy A 21 GLN HBy 1.0 1.8 4.60 2391 2266 A 34 MET HGy A 21 GLN HBx 1.0 1.8 4.60 2392 2267 A 21 GLN HE22 A 21 GLN HGx 1.0 1.8 3.47 2393 2267 A 21 GLN HE21 A 21 GLN HGy 1.0 1.8 3.47 2394 2267 A 21 GLN HE22 A 21 GLN HGy 1.0 1.8 3.47 2395 2267 A 21 GLN HE21 A 21 GLN HGx 1.0 1.8 3.47 2396 2268 A 22 PHE H A 21 GLN HGx 1.0 1.8 4.71 2397 2268 A 22 PHE H A 21 GLN HGy 1.0 1.8 4.71 2398 2269 A 21 GLN HE22 A 34 MET HGx 1.0 1.8 5.14 2399 2269 A 21 GLN HE21 A 34 MET HGy 1.0 1.8 5.14 2400 2269 A 21 GLN HE22 A 34 MET HGy 1.0 1.8 5.14 2401 2269 A 21 GLN HE21 A 34 MET HGx 1.0 1.8 5.14 2402 2270 A 34 MET HE% A 21 GLN HE21 1.0 1.8 4.30 2403 2270 A 34 MET HE% A 21 GLN HE22 1.0 1.8 4.30 2404 2271 A 22 PHE HD% A 29 ILE HG1y 1.0 1.8 4.35 2405 2271 A 22 PHE HD% A 29 ILE HG1x 1.0 1.8 4.35 2406 2272 A 22 PHE HE% A 60 TYR HBx 1.0 1.8 4.28 2407 2272 A 22 PHE HE% A 60 TYR HBy 1.0 1.8 4.28 2408 2273 A 22 PHE HZ A 60 TYR HBx 1.0 1.8 4.18 2409 2273 A 22 PHE HZ A 60 TYR HBy 1.0 1.8 4.18 2410 2274 A 23 ARG H A 23 ARG HGy 1.0 1.8 4.83 2411 2274 A 23 ARG H A 23 ARG HGx 1.0 1.8 4.83 2412 2275 A 23 ARG HA A 23 ARG HGy 1.0 1.8 4.07 2413 2275 A 23 ARG HA A 23 ARG HGx 1.0 1.8 4.07 2414 2276 A 23 ARG HA A 23 ARG HDy 1.0 1.8 4.75 2415 2276 A 23 ARG HA A 23 ARG HDx 1.0 1.8 4.75 2416 2277 A 23 ARG HBy A 23 ARG HDy 1.0 1.8 4.00 2417 2277 A 23 ARG HBy A 23 ARG HDx 1.0 1.8 4.00 2418 2278 A 23 ARG HE A 23 ARG HGy 1.0 1.8 3.99 2419 2278 A 23 ARG HE A 23 ARG HGx 1.0 1.8 3.99 2420 2279 A 24 ARG H A 23 ARG HGy 1.0 1.8 4.11 2421 2279 A 24 ARG H A 23 ARG HGx 1.0 1.8 4.11 2422 2280 A 24 ARG H A 23 ARG HDy 1.0 1.8 4.70 2423 2280 A 24 ARG H A 23 ARG HDx 1.0 1.8 4.70 2424 2281 A 24 ARG H A 24 ARG HBy 1.0 1.8 3.32 2425 2281 A 24 ARG H A 24 ARG HBx 1.0 1.8 3.32 2426 2282 A 24 ARG H A 24 ARG HGx 1.0 1.8 4.48 2427 2282 A 24 ARG H A 24 ARG HGy 1.0 1.8 4.48 2428 2283 A 24 ARG H A 24 ARG HDx 1.0 1.8 5.87 2429 2283 A 24 ARG H A 24 ARG HDy 1.0 1.8 5.87 2430 2284 A 24 ARG HA A 24 ARG HGx 1.0 1.8 4.03 2431 2284 A 24 ARG HA A 24 ARG HGy 1.0 1.8 4.03 2432 2285 A 24 ARG HA A 24 ARG HDx 1.0 1.8 5.21 2433 2285 A 24 ARG HA A 24 ARG HDy 1.0 1.8 5.21 2434 2286 A 24 ARG HBx A 24 ARG HDx 1.0 1.8 3.50 2435 2286 A 24 ARG HBy A 24 ARG HDx 1.0 1.8 3.50 2436 2286 A 24 ARG HDy A 24 ARG HBy 1.0 1.8 3.50 2437 2286 A 24 ARG HBx A 24 ARG HDy 1.0 1.8 3.50 2438 2287 A 24 ARG HE A 24 ARG HBy 1.0 1.8 4.99 2439 2287 A 24 ARG HBx A 24 ARG HE 1.0 1.8 4.99 2440 2288 A 25 THR H A 24 ARG HBy 1.0 1.8 4.19 2441 2288 A 25 THR H A 24 ARG HBx 1.0 1.8 4.19 2442 2289 A 29 ILE HD1% A 24 ARG HBy 1.0 1.8 4.41 2443 2289 A 29 ILE HD1% A 24 ARG HBx 1.0 1.8 4.41 2444 2290 A 25 THR H A 24 ARG HGx 1.0 1.8 5.26 2445 2290 A 25 THR H A 24 ARG HGy 1.0 1.8 5.26 2446 2291 A 29 ILE HD1% A 24 ARG HGx 1.0 1.8 3.87 2447 2291 A 29 ILE HD1% A 24 ARG HGy 1.0 1.8 3.87 2448 2292 A 29 ILE HD1% A 24 ARG HDx 1.0 1.8 5.30 2449 2292 A 29 ILE HD1% A 24 ARG HDy 1.0 1.8 5.30 2450 2293 A 25 THR HG2% A 26 GLN HGy 1.0 1.8 4.28 2451 2293 A 25 THR HG2% A 26 GLN HGx 1.0 1.8 4.28 2452 2294 A 26 GLN H A 26 GLN HGy 1.0 1.8 3.82 2453 2294 A 26 GLN H A 26 GLN HGx 1.0 1.8 3.82 2454 2295 A 26 GLN HA A 26 GLN HGy 1.0 1.8 3.58 2455 2295 A 26 GLN HA A 26 GLN HGx 1.0 1.8 3.58 2456 2296 A 26 GLN HBx A 26 GLN HE22 1.0 1.8 4.75 2457 2296 A 26 GLN HBx A 26 GLN HE21 1.0 1.8 4.75 2458 2297 A 26 GLN HE22 A 26 GLN HGy 1.0 1.8 3.45 2459 2297 A 26 GLN HE21 A 26 GLN HGy 1.0 1.8 3.45 2460 2297 A 26 GLN HGx A 26 GLN HE22 1.0 1.8 3.45 2461 2297 A 26 GLN HGx A 26 GLN HE21 1.0 1.8 3.45 2462 2298 A 27 GLY H A 26 GLN HGy 1.0 1.8 5.28 2463 2298 A 27 GLY H A 26 GLN HGx 1.0 1.8 5.28 2464 2299 A 28 LYS HGx A 27 GLY HAy 1.0 1.8 5.27 2465 2299 A 28 LYS HGx A 27 GLY HAx 1.0 1.8 5.27 2466 2300 A 28 LYS HBy A 28 LYS HEy 1.0 1.8 4.94 2467 2300 A 28 LYS HBy A 28 LYS HEx 1.0 1.8 4.94 2468 2301 A 28 LYS HGy A 28 LYS HEy 1.0 1.8 4.00 2469 2301 A 28 LYS HGy A 28 LYS HEx 1.0 1.8 4.00 2470 2302 A 28 LYS HGx A 28 LYS HEy 1.0 1.8 4.07 2471 2302 A 28 LYS HGx A 28 LYS HEx 1.0 1.8 4.07 2472 2303 A 29 ILE H A 29 ILE HG1y 1.0 1.8 4.63 2473 2303 A 29 ILE H A 29 ILE HG1x 1.0 1.8 4.63 2474 2304 A 29 ILE HG2% A 29 ILE HG1y 1.0 1.8 3.21 2475 2304 A 29 ILE HG2% A 29 ILE HG1x 1.0 1.8 3.21 2476 2305 A 29 ILE HG2% A 91 LEU HBx 1.0 1.8 3.84 2477 2305 A 29 ILE HG2% A 91 LEU HBy 1.0 1.8 3.84 2478 2306 A 30 PHE H A 29 ILE HG1y 1.0 1.8 4.40 2479 2306 A 30 PHE H A 29 ILE HG1x 1.0 1.8 4.40 2480 2307 A 30 PHE HD% A 90 PRO HBx 1.0 1.8 4.58 2481 2307 A 30 PHE HD% A 90 PRO HBy 1.0 1.8 4.58 2482 2308 A 30 PHE HE% A 90 PRO HBx 1.0 1.8 4.46 2483 2308 A 30 PHE HE% A 90 PRO HBy 1.0 1.8 4.46 2484 2309 A 30 PHE HE% A 90 PRO HGy 1.0 1.8 4.47 2485 2309 A 30 PHE HE% A 90 PRO HGx 1.0 1.8 4.47 2486 2310 A 30 PHE HZ A 90 PRO HBx 1.0 1.8 5.38 2487 2310 A 30 PHE HZ A 90 PRO HBy 1.0 1.8 5.38 2488 2311 A 32 GLN HBx A 32 GLN HE21 1.0 1.8 4.27 2489 2311 A 32 GLN HE22 A 32 GLN HBx 1.0 1.8 4.27 2490 2312 A 32 GLN HGy A 32 GLN HE22 1.0 1.8 3.76 2491 2312 A 32 GLN HGy A 32 GLN HE21 1.0 1.8 3.76 2492 2313 A 32 GLN HE21 A 32 GLN HGx 1.0 1.8 3.96 2493 2313 A 32 GLN HE22 A 32 GLN HGx 1.0 1.8 3.96 2494 2314 A 32 GLN HE21 A 86 ALA HB% 1.0 1.8 3.84 2495 2314 A 32 GLN HE22 A 86 ALA HB% 1.0 1.8 3.84 2496 2315 A 32 GLN HE21 A 88 SER HBy 1.0 1.8 4.55 2497 2315 A 32 GLN HE22 A 88 SER HBy 1.0 1.8 4.55 2498 2316 A 33 VAL HA A 34 MET HGx 1.0 1.8 5.08 2499 2316 A 33 VAL HA A 34 MET HGy 1.0 1.8 5.08 2500 2317 A 33 VAL HG2% A 89 ILE HG1y 1.0 1.8 5.73 2501 2317 A 33 VAL HG2% A 89 ILE HG1x 1.0 1.8 5.73 2502 2318 A 34 MET HE% A 34 MET HBx 1.0 1.8 3.94 2503 2318 A 34 MET HE% A 34 MET HBy 1.0 1.8 3.94 2504 2319 A 36 LYS H A 34 MET HBx 1.0 1.8 4.33 2505 2319 A 36 LYS H A 34 MET HBy 1.0 1.8 4.33 2506 2320 A 34 MET HE% A 34 MET HGx 1.0 1.8 3.59 2507 2320 A 34 MET HE% A 34 MET HGy 1.0 1.8 3.59 2508 2321 A 36 LYS H A 34 MET HGx 1.0 1.8 5.87 2509 2321 A 36 LYS H A 34 MET HGy 1.0 1.8 5.87 2510 2322 A 35 TRP HE3 A 35 TRP HBy 1.0 1.8 4.06 2511 2322 A 35 TRP HE3 A 35 TRP HBx 1.0 1.8 4.06 2512 2323 A 81 PRO HBy A 35 TRP HBy 1.0 1.8 5.18 2513 2323 A 81 PRO HBy A 35 TRP HBx 1.0 1.8 5.18 2514 2324 A 81 PRO HBx A 35 TRP HBy 1.0 1.8 5.19 2515 2324 A 81 PRO HBx A 35 TRP HBx 1.0 1.8 5.19 2516 2325 A 82 ARG H A 35 TRP HBy 1.0 1.8 4.60 2517 2325 A 82 ARG H A 35 TRP HBx 1.0 1.8 4.60 2518 2326 A 83 LEU HD1% A 35 TRP HBy 1.0 1.8 5.87 2519 2326 A 83 LEU HD1% A 35 TRP HBx 1.0 1.8 5.87 2520 2327 A 35 TRP HD1 A 36 LYS HGx 1.0 1.8 3.97 2521 2327 A 35 TRP HD1 A 36 LYS HGy 1.0 1.8 3.97 2522 2328 A 35 TRP HD1 A 36 LYS HEx 1.0 1.8 4.59 2523 2328 A 35 TRP HD1 A 36 LYS HEy 1.0 1.8 4.59 2524 2329 A 35 TRP HE1 A 36 LYS HGx 1.0 1.8 4.84 2525 2329 A 35 TRP HE1 A 36 LYS HGy 1.0 1.8 4.84 2526 2330 A 35 TRP HE1 A 36 LYS HDx 1.0 1.8 5.33 2527 2330 A 35 TRP HE1 A 36 LYS HDy 1.0 1.8 5.33 2528 2331 A 35 TRP HE1 A 36 LYS HEx 1.0 1.8 4.46 2529 2331 A 35 TRP HE1 A 36 LYS HEy 1.0 1.8 4.46 2530 2332 A 35 TRP HZ2 A 36 LYS HEx 1.0 1.8 4.86 2531 2332 A 35 TRP HZ2 A 36 LYS HEy 1.0 1.8 4.86 2532 2333 A 35 TRP HH2 A 84 GLY HAx 1.0 1.8 4.59 2533 2333 A 35 TRP HH2 A 84 GLY HAy 1.0 1.8 4.59 2534 2334 A 36 LYS H A 36 LYS HGx 1.0 1.8 4.10 2535 2334 A 36 LYS H A 36 LYS HGy 1.0 1.8 4.10 2536 2335 A 36 LYS H A 36 LYS HDx 1.0 1.8 4.68 2537 2335 A 36 LYS H A 36 LYS HDy 1.0 1.8 4.68 2538 2336 A 36 LYS H A 36 LYS HEx 1.0 1.8 5.87 2539 2336 A 36 LYS H A 36 LYS HEy 1.0 1.8 5.87 2540 2337 A 36 LYS HA A 36 LYS HDx 1.0 1.8 5.18 2541 2337 A 36 LYS HA A 36 LYS HDy 1.0 1.8 5.18 2542 2338 A 36 LYS HBy A 36 LYS HDx 1.0 1.8 3.87 2543 2338 A 36 LYS HBy A 36 LYS HDy 1.0 1.8 3.87 2544 2339 A 36 LYS HBx A 36 LYS HDx 1.0 1.8 3.90 2545 2339 A 36 LYS HBx A 36 LYS HDy 1.0 1.8 3.90 2546 2340 A 36 LYS HEx A 36 LYS HGx 1.0 1.8 3.65 2547 2340 A 36 LYS HEy A 36 LYS HGx 1.0 1.8 3.65 2548 2340 A 36 LYS HGy A 36 LYS HEx 1.0 1.8 3.65 2549 2340 A 36 LYS HGy A 36 LYS HEy 1.0 1.8 3.65 2550 2341 A 37 TYR H A 36 LYS HGx 1.0 1.8 4.99 2551 2341 A 37 TYR H A 36 LYS HGy 1.0 1.8 4.99 2552 2342 A 43 PHE HE% A 36 LYS HDx 1.0 1.8 5.31 2553 2342 A 43 PHE HE% A 36 LYS HDy 1.0 1.8 5.31 2554 2343 A 83 LEU HD1% A 36 LYS HEx 1.0 1.8 5.87 2555 2343 A 83 LEU HD1% A 36 LYS HEy 1.0 1.8 5.87 2556 2344 A 37 TYR H A 40 GLN HBy 1.0 1.8 5.02 2557 2344 A 37 TYR H A 40 GLN HBx 1.0 1.8 5.02 2558 2345 A 37 TYR H A 40 GLN HGx 1.0 1.8 4.43 2559 2345 A 37 TYR H A 40 GLN HGy 1.0 1.8 4.43 2560 2346 A 37 TYR HD% A 39 GLU HBx 1.0 1.8 3.58 2561 2346 A 37 TYR HD% A 39 GLU HBy 1.0 1.8 3.58 2562 2347 A 37 TYR HD% A 40 GLN HGx 1.0 1.8 4.48 2563 2347 A 37 TYR HD% A 40 GLN HGy 1.0 1.8 4.48 2564 2348 A 37 TYR HE% A 39 GLU HBx 1.0 1.8 3.69 2565 2348 A 37 TYR HE% A 39 GLU HBy 1.0 1.8 3.69 2566 2349 A 37 TYR HE% A 40 GLN HBy 1.0 1.8 5.02 2567 2349 A 37 TYR HE% A 40 GLN HBx 1.0 1.8 5.02 2568 2350 A 37 TYR HE% A 40 GLN HGx 1.0 1.8 4.37 2569 2350 A 37 TYR HE% A 40 GLN HGy 1.0 1.8 4.37 2570 2351 A 38 LEU HD2% A 38 LEU HBx 1.0 1.8 3.44 2571 2351 A 38 LEU HD2% A 38 LEU HBy 1.0 1.8 3.44 2572 2352 A 39 GLU H A 38 LEU HBx 1.0 1.8 4.51 2573 2352 A 39 GLU H A 38 LEU HBy 1.0 1.8 4.51 2574 2353 A 43 PHE HD% A 38 LEU HBx 1.0 1.8 5.87 2575 2353 A 43 PHE HD% A 38 LEU HBy 1.0 1.8 5.87 2576 2354 A 38 LEU HD1% A 43 PHE HBx 1.0 1.8 4.48 2577 2354 A 38 LEU HD1% A 43 PHE HBy 1.0 1.8 4.48 2578 2355 A 38 LEU HD1% A 47 GLU HGx 1.0 1.8 4.09 2579 2355 A 38 LEU HD1% A 47 GLU HGy 1.0 1.8 4.09 2580 2356 A 38 LEU HD1% A 50 TYR HBx 1.0 1.8 3.88 2581 2356 A 38 LEU HD1% A 50 TYR HBy 1.0 1.8 3.88 2582 2357 A 38 LEU HD2% A 47 GLU HBx 1.0 1.8 4.14 2583 2357 A 38 LEU HD2% A 47 GLU HBy 1.0 1.8 4.14 2584 2358 A 38 LEU HD2% A 47 GLU HGx 1.0 1.8 3.81 2585 2358 A 38 LEU HD2% A 47 GLU HGy 1.0 1.8 3.81 2586 2359 A 38 LEU HD2% A 50 TYR HBx 1.0 1.8 5.21 2587 2359 A 38 LEU HD2% A 50 TYR HBy 1.0 1.8 5.21 2588 2360 A 39 GLU H A 39 GLU HGx 1.0 1.8 4.57 2589 2360 A 39 GLU H A 39 GLU HGy 1.0 1.8 4.57 2590 2361 A 40 GLN H A 39 GLU HBx 1.0 1.8 4.65 2591 2361 A 40 GLN H A 39 GLU HBy 1.0 1.8 4.65 2592 2362 A 40 GLN H A 40 GLN HBy 1.0 1.8 3.43 2593 2362 A 40 GLN H A 40 GLN HBx 1.0 1.8 3.43 2594 2363 A 40 GLN H A 40 GLN HGx 1.0 1.8 4.03 2595 2363 A 40 GLN H A 40 GLN HGy 1.0 1.8 4.03 2596 2364 A 40 GLN H A 43 PHE HBx 1.0 1.8 4.83 2597 2364 A 40 GLN H A 43 PHE HBy 1.0 1.8 4.83 2598 2365 A 40 GLN HA A 40 GLN HGx 1.0 1.8 4.10 2599 2365 A 40 GLN HA A 40 GLN HGy 1.0 1.8 4.10 2600 2366 A 41 ALA H A 40 GLN HBy 1.0 1.8 4.08 2601 2366 A 41 ALA H A 40 GLN HBx 1.0 1.8 4.08 2602 2367 A 42 SER H A 40 GLN HBy 1.0 1.8 4.04 2603 2367 A 42 SER H A 40 GLN HBx 1.0 1.8 4.04 2604 2368 A 43 PHE H A 40 GLN HBy 1.0 1.8 4.07 2605 2368 A 43 PHE H A 40 GLN HBx 1.0 1.8 4.07 2606 2369 A 43 PHE HA A 40 GLN HBy 1.0 1.8 5.56 2607 2369 A 43 PHE HA A 40 GLN HBx 1.0 1.8 5.56 2608 2370 A 43 PHE HD% A 40 GLN HBy 1.0 1.8 4.85 2609 2370 A 43 PHE HD% A 40 GLN HBx 1.0 1.8 4.85 2610 2371 A 40 GLN HE22 A 40 GLN HGx 1.0 1.8 3.44 2611 2371 A 40 GLN HE21 A 40 GLN HGx 1.0 1.8 3.44 2612 2371 A 40 GLN HGy A 40 GLN HE22 1.0 1.8 3.44 2613 2371 A 40 GLN HGy A 40 GLN HE21 1.0 1.8 3.44 2614 2372 A 41 ALA H A 40 GLN HGx 1.0 1.8 4.73 2615 2372 A 41 ALA H A 40 GLN HGy 1.0 1.8 4.73 2616 2373 A 42 SER H A 40 GLN HGx 1.0 1.8 5.19 2617 2373 A 42 SER H A 40 GLN HGy 1.0 1.8 5.19 2618 2374 A 43 PHE HD% A 40 GLN HGx 1.0 1.8 5.87 2619 2374 A 43 PHE HD% A 40 GLN HGy 1.0 1.8 5.87 2620 2375 A 41 ALA HB% A 42 SER HBx 1.0 1.8 5.87 2621 2375 A 41 ALA HB% A 42 SER HBy 1.0 1.8 5.87 2622 2376 A 43 PHE H A 44 PRO HDx 1.0 1.8 5.28 2623 2376 A 43 PHE H A 44 PRO HDy 1.0 1.8 5.28 2624 2377 A 43 PHE HA A 44 PRO HGy 1.0 1.8 5.05 2625 2377 A 43 PHE HA A 44 PRO HGx 1.0 1.8 5.05 2626 2378 A 43 PHE HA A 44 PRO HDx 1.0 1.8 3.59 2627 2378 A 43 PHE HA A 44 PRO HDy 1.0 1.8 3.59 2628 2379 A 45 MET H A 43 PHE HBx 1.0 1.8 4.98 2629 2379 A 45 MET H A 43 PHE HBy 1.0 1.8 4.98 2630 2380 A 43 PHE HD% A 44 PRO HDx 1.0 1.8 4.15 2631 2380 A 43 PHE HD% A 44 PRO HDy 1.0 1.8 4.15 2632 2381 A 43 PHE HE% A 45 MET HGx 1.0 1.8 4.95 2633 2381 A 43 PHE HE% A 45 MET HGy 1.0 1.8 4.95 2634 2382 A 43 PHE HE% A 50 TYR HBx 1.0 1.8 5.28 2635 2382 A 43 PHE HE% A 50 TYR HBy 1.0 1.8 5.28 2636 2383 A 45 MET H A 44 PRO HGy 1.0 1.8 4.72 2637 2383 A 45 MET H A 44 PRO HGx 1.0 1.8 4.72 2638 2384 A 45 MET HBy A 44 PRO HDx 1.0 1.8 5.71 2639 2384 A 45 MET HBy A 44 PRO HDy 1.0 1.8 5.71 2640 2385 A 45 MET HE% A 44 PRO HDx 1.0 1.8 5.52 2641 2385 A 45 MET HE% A 44 PRO HDy 1.0 1.8 5.52 2642 2386 A 45 MET H A 45 MET HGx 1.0 1.8 4.19 2643 2386 A 45 MET H A 45 MET HGy 1.0 1.8 4.19 2644 2387 A 45 MET HE% A 45 MET HGx 1.0 1.8 3.51 2645 2387 A 45 MET HE% A 45 MET HGy 1.0 1.8 3.51 2646 2388 A 46 ASN H A 45 MET HGx 1.0 1.8 4.33 2647 2388 A 46 ASN H A 45 MET HGy 1.0 1.8 4.33 2648 2389 A 50 TYR HD% A 45 MET HGx 1.0 1.8 5.87 2649 2389 A 50 TYR HD% A 45 MET HGy 1.0 1.8 5.87 2650 2390 A 45 MET HE% A 53 HIS HBx 1.0 1.8 3.93 2651 2390 A 45 MET HE% A 53 HIS HBy 1.0 1.8 3.93 2652 2391 A 46 ASN H A 46 ASN HBx 1.0 1.8 3.74 2653 2391 A 46 ASN H A 46 ASN HBy 1.0 1.8 3.74 2654 2392 A 46 ASN H A 46 ASN HD21 1.0 1.8 4.96 2655 2392 A 46 ASN H A 46 ASN HD22 1.0 1.8 4.96 2656 2393 A 46 ASN H A 49 GLU HBx 1.0 1.8 3.87 2657 2393 A 46 ASN H A 49 GLU HBy 1.0 1.8 3.87 2658 2394 A 46 ASN HD21 A 46 ASN HA 1.0 1.8 4.77 2659 2394 A 46 ASN HA A 46 ASN HD22 1.0 1.8 4.77 2660 2395 A 46 ASN HD22 A 46 ASN HBx 1.0 1.8 3.48 2661 2395 A 46 ASN HD21 A 46 ASN HBx 1.0 1.8 3.48 2662 2395 A 46 ASN HD21 A 46 ASN HBy 1.0 1.8 3.48 2663 2395 A 46 ASN HD22 A 46 ASN HBy 1.0 1.8 3.48 2664 2396 A 47 GLU H A 46 ASN HBx 1.0 1.8 3.55 2665 2396 A 47 GLU H A 46 ASN HBy 1.0 1.8 3.55 2666 2397 A 48 THR H A 46 ASN HBx 1.0 1.8 4.52 2667 2397 A 48 THR H A 46 ASN HBy 1.0 1.8 4.52 2668 2398 A 47 GLU H A 46 ASN HD22 1.0 1.8 5.25 2669 2398 A 46 ASN HD21 A 47 GLU H 1.0 1.8 5.25 2670 2399 A 46 ASN HD21 A 49 GLU HGy 1.0 1.8 4.32 2671 2399 A 46 ASN HD22 A 49 GLU HGx 1.0 1.8 4.32 2672 2399 A 46 ASN HD22 A 49 GLU HGy 1.0 1.8 4.32 2673 2399 A 46 ASN HD21 A 49 GLU HGx 1.0 1.8 4.32 2674 2400 A 47 GLU H A 47 GLU HBx 1.0 1.8 3.39 2675 2400 A 47 GLU H A 47 GLU HBy 1.0 1.8 3.39 2676 2401 A 47 GLU H A 47 GLU HGx 1.0 1.8 4.23 2677 2401 A 47 GLU H A 47 GLU HGy 1.0 1.8 4.23 2678 2402 A 47 GLU HA A 47 GLU HGx 1.0 1.8 3.79 2679 2402 A 47 GLU HA A 47 GLU HGy 1.0 1.8 3.79 2680 2403 A 47 GLU HA A 50 TYR HBx 1.0 1.8 4.30 2681 2403 A 47 GLU HA A 50 TYR HBy 1.0 1.8 4.30 2682 2404 A 48 THR H A 47 GLU HBx 1.0 1.8 3.79 2683 2404 A 48 THR H A 47 GLU HBy 1.0 1.8 3.79 2684 2405 A 48 THR H A 47 GLU HGx 1.0 1.8 4.81 2685 2405 A 48 THR H A 47 GLU HGy 1.0 1.8 4.81 2686 2406 A 48 THR H A 49 GLU HGx 1.0 1.8 5.30 2687 2406 A 48 THR H A 49 GLU HGy 1.0 1.8 5.30 2688 2407 A 48 THR HG2% A 52 GLU HGx 1.0 1.8 3.70 2689 2407 A 48 THR HG2% A 52 GLU HGy 1.0 1.8 3.70 2690 2408 A 49 GLU H A 49 GLU HBx 1.0 1.8 3.60 2691 2408 A 49 GLU H A 49 GLU HBy 1.0 1.8 3.60 2692 2409 A 49 GLU H A 49 GLU HGx 1.0 1.8 3.62 2693 2409 A 49 GLU H A 49 GLU HGy 1.0 1.8 3.62 2694 2410 A 49 GLU HBy A 49 GLU HGx 1.0 1.8 2.48 2695 2410 A 49 GLU HBx A 49 GLU HGx 1.0 1.8 2.48 2696 2410 A 49 GLU HGy A 49 GLU HBx 1.0 1.8 2.48 2697 2410 A 49 GLU HBy A 49 GLU HGy 1.0 1.8 2.48 2698 2411 A 50 TYR H A 49 GLU HBx 1.0 1.8 3.90 2699 2411 A 50 TYR H A 49 GLU HBy 1.0 1.8 3.90 2700 2412 A 50 TYR HA A 49 GLU HBx 1.0 1.8 5.87 2701 2412 A 50 TYR HA A 49 GLU HBy 1.0 1.8 5.87 2702 2413 A 50 TYR H A 49 GLU HGx 1.0 1.8 5.76 2703 2413 A 50 TYR H A 49 GLU HGy 1.0 1.8 5.76 2704 2414 A 51 GLN H A 50 TYR HBx 1.0 1.8 4.04 2705 2414 A 51 GLN H A 50 TYR HBy 1.0 1.8 4.04 2706 2415 A 51 GLN HA A 51 GLN HGx 1.0 1.8 3.76 2707 2415 A 51 GLN HA A 51 GLN HGy 1.0 1.8 3.76 2708 2416 A 51 GLN HA A 51 GLN HE21 1.0 1.8 4.68 2709 2416 A 51 GLN HE22 A 51 GLN HA 1.0 1.8 4.68 2710 2417 A 51 GLN HA A 54 LEU HBx 1.0 1.8 4.16 2711 2417 A 51 GLN HA A 54 LEU HBy 1.0 1.8 4.16 2712 2418 A 51 GLN HBy A 51 GLN HGx 1.0 1.8 2.75 2713 2418 A 51 GLN HBy A 51 GLN HGy 1.0 1.8 2.75 2714 2419 A 51 GLN HE21 A 51 GLN HBx 1.0 1.8 4.86 2715 2419 A 51 GLN HE22 A 51 GLN HBx 1.0 1.8 4.86 2716 2420 A 51 GLN HE22 A 51 GLN HGx 1.0 1.8 3.29 2717 2420 A 51 GLN HE21 A 51 GLN HGy 1.0 1.8 3.29 2718 2420 A 51 GLN HE22 A 51 GLN HGy 1.0 1.8 3.29 2719 2420 A 51 GLN HE21 A 51 GLN HGx 1.0 1.8 3.29 2720 2421 A 52 GLU H A 51 GLN HGx 1.0 1.8 4.96 2721 2421 A 52 GLU H A 51 GLN HGy 1.0 1.8 4.96 2722 2422 A 51 GLN HE21 A 54 LEU H 1.0 1.8 5.87 2723 2422 A 51 GLN HE22 A 54 LEU H 1.0 1.8 5.87 2724 2423 A 51 GLN HE22 A 54 LEU HBx 1.0 1.8 4.23 2725 2423 A 51 GLN HE21 A 54 LEU HBy 1.0 1.8 4.23 2726 2423 A 51 GLN HE22 A 54 LEU HBy 1.0 1.8 4.23 2727 2423 A 51 GLN HE21 A 54 LEU HBx 1.0 1.8 4.23 2728 2424 A 54 LEU HD1% A 51 GLN HE21 1.0 1.8 4.36 2729 2424 A 51 GLN HE22 A 54 LEU HD1% 1.0 1.8 4.36 2730 2425 A 51 GLN HE21 A 55 ASP H 1.0 1.8 5.42 2731 2425 A 51 GLN HE22 A 55 ASP H 1.0 1.8 5.42 2732 2426 A 52 GLU H A 52 GLU HBx 1.0 1.8 3.44 2733 2426 A 52 GLU H A 52 GLU HBy 1.0 1.8 3.44 2734 2427 A 52 GLU HA A 52 GLU HGx 1.0 1.8 3.71 2735 2427 A 52 GLU HA A 52 GLU HGy 1.0 1.8 3.71 2736 2428 A 52 GLU HA A 55 ASP HBx 1.0 1.8 3.85 2737 2428 A 52 GLU HA A 55 ASP HBy 1.0 1.8 3.85 2738 2429 A 53 HIS H A 52 GLU HBx 1.0 1.8 3.94 2739 2429 A 53 HIS H A 52 GLU HBy 1.0 1.8 3.94 2740 2430 A 54 LEU H A 53 HIS HBx 1.0 1.8 4.38 2741 2430 A 54 LEU H A 53 HIS HBy 1.0 1.8 4.38 2742 2431 A 54 LEU HD2% A 53 HIS HBx 1.0 1.8 5.87 2743 2431 A 54 LEU HD2% A 53 HIS HBy 1.0 1.8 5.87 2744 2432 A 54 LEU H A 54 LEU HBx 1.0 1.8 3.74 2745 2432 A 54 LEU H A 54 LEU HBy 1.0 1.8 3.74 2746 2433 A 54 LEU HD1% A 54 LEU HBx 1.0 1.8 3.23 2747 2433 A 54 LEU HD1% A 54 LEU HBy 1.0 1.8 3.23 2748 2434 A 55 ASP H A 54 LEU HBx 1.0 1.8 3.70 2749 2434 A 55 ASP H A 54 LEU HBy 1.0 1.8 3.70 2750 2435 A 55 ASP H A 55 ASP HBx 1.0 1.8 3.49 2751 2435 A 55 ASP H A 55 ASP HBy 1.0 1.8 3.49 2752 2436 A 56 SER H A 55 ASP HBx 1.0 1.8 3.76 2753 2436 A 56 SER H A 55 ASP HBy 1.0 1.8 3.76 2754 2437 A 56 SER HA A 59 ASN HBx 1.0 1.8 3.97 2755 2437 A 56 SER HA A 59 ASN HBy 1.0 1.8 3.97 2756 2438 A 57 VAL HG1% A 60 TYR HBx 1.0 1.8 5.31 2757 2438 A 57 VAL HG1% A 60 TYR HBy 1.0 1.8 5.31 2758 2439 A 58 ALA H A 59 ASN HBx 1.0 1.8 5.06 2759 2439 A 58 ALA H A 59 ASN HBy 1.0 1.8 5.06 2760 2440 A 58 ALA HB% A 59 ASN HBx 1.0 1.8 5.31 2761 2440 A 58 ALA HB% A 59 ASN HBy 1.0 1.8 5.31 2762 2441 A 59 ASN HD22 A 59 ASN HBx 1.0 1.8 3.89 2763 2441 A 59 ASN HD22 A 59 ASN HBy 1.0 1.8 3.89 2764 2442 A 60 TYR H A 59 ASN HBx 1.0 1.8 4.35 2765 2442 A 60 TYR H A 59 ASN HBy 1.0 1.8 4.35 2766 2443 A 61 LEU H A 59 ASN HBx 1.0 1.8 5.87 2767 2443 A 61 LEU H A 59 ASN HBy 1.0 1.8 5.87 2768 2444 A 60 TYR H A 60 TYR HBx 1.0 1.8 3.54 2769 2444 A 60 TYR H A 60 TYR HBy 1.0 1.8 3.54 2770 2445 A 61 LEU H A 60 TYR HBx 1.0 1.8 4.09 2771 2445 A 61 LEU H A 60 TYR HBy 1.0 1.8 4.09 2772 2446 A 64 LEU HG A 60 TYR HBx 1.0 1.8 5.15 2773 2446 A 64 LEU HG A 60 TYR HBy 1.0 1.8 5.15 2774 2447 A 63 ALA HB% A 62 HIS HBx 1.0 1.8 4.95 2775 2447 A 63 ALA HB% A 62 HIS HBy 1.0 1.8 4.95 2776 2448 A 67 ALA H A 65 GLY HAy 1.0 1.8 4.82 2777 2448 A 67 ALA H A 65 GLY HAx 1.0 1.8 4.82 2778 2449 A 93 LEU HD2% A 65 GLY HAy 1.0 1.8 5.80 2779 2449 A 93 LEU HD2% A 65 GLY HAx 1.0 1.8 5.80 2780 2450 A 68 VAL HG2% A 71 LYS HEy 1.0 1.8 5.51 2781 2450 A 68 VAL HG2% A 71 LYS HEx 1.0 1.8 5.51 2782 2451 A 70 VAL HG1% A 89 ILE HG1y 1.0 1.8 5.52 2783 2451 A 70 VAL HG1% A 89 ILE HG1x 1.0 1.8 5.52 2784 2452 A 71 LYS HA A 71 LYS HEy 1.0 1.8 5.19 2785 2452 A 71 LYS HA A 71 LYS HEx 1.0 1.8 5.19 2786 2453 A 71 LYS HBx A 71 LYS HEy 1.0 1.8 4.43 2787 2453 A 71 LYS HBx A 71 LYS HEx 1.0 1.8 4.43 2788 2454 A 71 LYS HGy A 71 LYS HEy 1.0 1.8 3.62 2789 2454 A 71 LYS HGy A 71 LYS HEx 1.0 1.8 3.62 2790 2455 A 71 LYS HGx A 71 LYS HEy 1.0 1.8 3.74 2791 2455 A 71 LYS HGx A 71 LYS HEx 1.0 1.8 3.74 2792 2456 A 73 PHE HD% A 89 ILE HG1y 1.0 1.8 4.35 2793 2456 A 73 PHE HD% A 89 ILE HG1x 1.0 1.8 4.35 2794 2457 A 73 PHE HE% A 90 PRO HDx 1.0 1.8 4.92 2795 2457 A 73 PHE HE% A 90 PRO HDy 1.0 1.8 4.92 2796 2458 A 73 PHE HZ A 90 PRO HDx 1.0 1.8 4.83 2797 2458 A 73 PHE HZ A 90 PRO HDy 1.0 1.8 4.83 2798 2459 A 76 GLN HE21 A 76 GLN HBx 1.0 1.8 4.63 2799 2459 A 76 GLN HE22 A 76 GLN HBx 1.0 1.8 4.63 2800 2460 A 76 GLN HE21 A 76 GLN HBy 1.0 1.8 5.13 2801 2460 A 76 GLN HE22 A 76 GLN HBy 1.0 1.8 5.13 2802 2461 A 76 GLN HE21 A 76 GLN HGy 1.0 1.8 3.79 2803 2461 A 76 GLN HE22 A 76 GLN HGy 1.0 1.8 3.79 2804 2462 A 76 GLN HE21 A 76 GLN HGx 1.0 1.8 3.76 2805 2462 A 76 GLN HE22 A 76 GLN HGx 1.0 1.8 3.76 2806 2463 A 77 THR HA A 78 LYS HBx 1.0 1.8 5.21 2807 2463 A 77 THR HA A 78 LYS HBy 1.0 1.8 5.21 2808 2464 A 77 THR HA A 78 LYS HGx 1.0 1.8 4.84 2809 2464 A 77 THR HA A 78 LYS HGy 1.0 1.8 4.84 2810 2465 A 77 THR HA A 78 LYS HDy 1.0 1.8 5.59 2811 2465 A 77 THR HA A 78 LYS HDx 1.0 1.8 5.59 2812 2466 A 77 THR HG2% A 79 GLU HGx 1.0 1.8 4.92 2813 2466 A 77 THR HG2% A 79 GLU HGy 1.0 1.8 4.92 2814 2467 A 78 LYS H A 78 LYS HBx 1.0 1.8 3.69 2815 2467 A 78 LYS H A 78 LYS HBy 1.0 1.8 3.69 2816 2468 A 78 LYS H A 78 LYS HGx 1.0 1.8 3.63 2817 2468 A 78 LYS H A 78 LYS HGy 1.0 1.8 3.63 2818 2469 A 78 LYS H A 78 LYS HDy 1.0 1.8 4.52 2819 2469 A 78 LYS H A 78 LYS HDx 1.0 1.8 4.52 2820 2470 A 78 LYS H A 79 GLU HGx 1.0 1.8 4.77 2821 2470 A 78 LYS H A 79 GLU HGy 1.0 1.8 4.77 2822 2471 A 78 LYS HA A 78 LYS HDy 1.0 1.8 4.72 2823 2471 A 78 LYS HA A 78 LYS HDx 1.0 1.8 4.72 2824 2472 A 78 LYS HBy A 78 LYS HDy 1.0 1.8 2.86 2825 2472 A 78 LYS HBx A 78 LYS HDy 1.0 1.8 2.86 2826 2472 A 78 LYS HDx A 78 LYS HBx 1.0 1.8 2.86 2827 2472 A 78 LYS HBy A 78 LYS HDx 1.0 1.8 2.86 2828 2473 A 78 LYS HBx A 78 LYS HEx 1.0 1.8 5.10 2829 2473 A 78 LYS HEy A 78 LYS HBx 1.0 1.8 5.10 2830 2473 A 78 LYS HBy A 78 LYS HEy 1.0 1.8 5.10 2831 2473 A 78 LYS HBy A 78 LYS HEx 1.0 1.8 5.10 2832 2474 A 78 LYS HDx A 78 LYS HGx 1.0 1.8 2.61 2833 2474 A 78 LYS HGy A 78 LYS HDy 1.0 1.8 2.61 2834 2474 A 78 LYS HGy A 78 LYS HDx 1.0 1.8 2.61 2835 2474 A 78 LYS HDy A 78 LYS HGx 1.0 1.8 2.61 2836 2475 A 78 LYS HEx A 78 LYS HGx 1.0 1.8 3.60 2837 2475 A 78 LYS HEy A 78 LYS HGx 1.0 1.8 3.60 2838 2475 A 78 LYS HGy A 78 LYS HEx 1.0 1.8 3.60 2839 2475 A 78 LYS HGy A 78 LYS HEy 1.0 1.8 3.60 2840 2476 A 79 GLU H A 78 LYS HGx 1.0 1.8 4.97 2841 2476 A 79 GLU H A 78 LYS HGy 1.0 1.8 4.97 2842 2477 A 79 GLU H A 79 GLU HGx 1.0 1.8 3.63 2843 2477 A 79 GLU H A 79 GLU HGy 1.0 1.8 3.63 2844 2478 A 79 GLU HA A 79 GLU HGx 1.0 1.8 3.62 2845 2478 A 79 GLU HA A 79 GLU HGy 1.0 1.8 3.62 2846 2479 A 79 GLU HA A 80 ARG HDy 1.0 1.8 5.83 2847 2479 A 79 GLU HA A 80 ARG HDx 1.0 1.8 5.83 2848 2480 A 80 ARG H A 79 GLU HGx 1.0 1.8 4.44 2849 2480 A 80 ARG H A 79 GLU HGy 1.0 1.8 4.44 2850 2481 A 87 VAL HG1% A 79 GLU HGx 1.0 1.8 5.02 2851 2481 A 87 VAL HG1% A 79 GLU HGy 1.0 1.8 5.02 2852 2482 A 87 VAL HG2% A 79 GLU HGx 1.0 1.8 5.70 2853 2482 A 87 VAL HG2% A 79 GLU HGy 1.0 1.8 5.70 2854 2483 A 80 ARG H A 80 ARG HBy 1.0 1.8 3.71 2855 2483 A 80 ARG H A 80 ARG HBx 1.0 1.8 3.71 2856 2484 A 80 ARG HA A 80 ARG HDy 1.0 1.8 4.89 2857 2484 A 80 ARG HA A 80 ARG HDx 1.0 1.8 4.89 2858 2485 A 80 ARG HBy A 80 ARG HDy 1.0 1.8 3.34 2859 2485 A 80 ARG HBx A 80 ARG HDy 1.0 1.8 3.34 2860 2485 A 80 ARG HDx A 80 ARG HBy 1.0 1.8 3.34 2861 2485 A 80 ARG HBx A 80 ARG HDx 1.0 1.8 3.34 2862 2486 A 80 ARG HE A 80 ARG HBy 1.0 1.8 4.51 2863 2486 A 80 ARG HE A 80 ARG HBx 1.0 1.8 4.51 2864 2487 A 81 PRO HDx A 80 ARG HGy 1.0 1.8 4.93 2865 2487 A 81 PRO HDx A 80 ARG HGx 1.0 1.8 4.93 2866 2488 A 82 ARG H A 82 ARG HGy 1.0 1.8 4.80 2867 2488 A 82 ARG H A 82 ARG HGx 1.0 1.8 4.80 2868 2489 A 82 ARG H A 82 ARG HDy 1.0 1.8 5.39 2869 2489 A 82 ARG H A 82 ARG HDx 1.0 1.8 5.39 2870 2490 A 82 ARG H A 85 LYS HBx 1.0 1.8 4.77 2871 2490 A 82 ARG H A 85 LYS HBy 1.0 1.8 4.77 2872 2491 A 82 ARG HBy A 82 ARG HDy 1.0 1.8 3.43 2873 2491 A 82 ARG HBy A 82 ARG HDx 1.0 1.8 3.43 2874 2492 A 82 ARG HBx A 82 ARG HDy 1.0 1.8 3.70 2875 2492 A 82 ARG HBx A 82 ARG HDx 1.0 1.8 3.70 2876 2493 A 82 ARG HBx A 85 LYS HBx 1.0 1.8 4.07 2877 2493 A 82 ARG HBx A 85 LYS HBy 1.0 1.8 4.07 2878 2494 A 82 ARG HE A 82 ARG HGy 1.0 1.8 3.96 2879 2494 A 82 ARG HE A 82 ARG HGx 1.0 1.8 3.96 2880 2495 A 83 LEU H A 82 ARG HGy 1.0 1.8 3.62 2881 2495 A 83 LEU H A 82 ARG HGx 1.0 1.8 3.62 2882 2496 A 83 LEU HA A 84 GLY HAx 1.0 1.8 4.96 2883 2496 A 83 LEU HA A 84 GLY HAy 1.0 1.8 4.96 2884 2497 A 83 LEU HD1% A 83 LEU HBx 1.0 1.8 3.38 2885 2497 A 83 LEU HD1% A 83 LEU HBy 1.0 1.8 3.38 2886 2498 A 83 LEU HD1% A 84 GLY HAx 1.0 1.8 4.18 2887 2498 A 83 LEU HD1% A 84 GLY HAy 1.0 1.8 4.18 2888 2499 A 85 LYS H A 85 LYS HBx 1.0 1.8 3.33 2889 2499 A 85 LYS H A 85 LYS HBy 1.0 1.8 3.33 2890 2500 A 85 LYS H A 85 LYS HGy 1.0 1.8 4.99 2891 2500 A 85 LYS H A 85 LYS HGx 1.0 1.8 4.99 2892 2501 A 85 LYS HA A 85 LYS HGy 1.0 1.8 3.84 2893 2501 A 85 LYS HA A 85 LYS HGx 1.0 1.8 3.84 2894 2502 A 85 LYS HA A 85 LYS HDx 1.0 1.8 5.14 2895 2502 A 85 LYS HA A 85 LYS HDy 1.0 1.8 5.14 2896 2503 A 85 LYS HBx A 85 LYS HDx 1.0 1.8 3.63 2897 2503 A 85 LYS HBy A 85 LYS HDx 1.0 1.8 3.63 2898 2503 A 85 LYS HDy A 85 LYS HBx 1.0 1.8 3.63 2899 2503 A 85 LYS HBy A 85 LYS HDy 1.0 1.8 3.63 2900 2504 A 86 ALA H A 85 LYS HBx 1.0 1.8 4.44 2901 2504 A 86 ALA H A 85 LYS HBy 1.0 1.8 4.44 2902 2505 A 86 ALA H A 85 LYS HGy 1.0 1.8 4.50 2903 2505 A 86 ALA H A 85 LYS HGx 1.0 1.8 4.50 2904 2506 A 87 VAL HG1% A 89 ILE HG1y 1.0 1.8 4.63 2905 2506 A 87 VAL HG1% A 89 ILE HG1x 1.0 1.8 4.63 2906 2507 A 89 ILE H A 89 ILE HG1y 1.0 1.8 4.03 2907 2507 A 89 ILE H A 89 ILE HG1x 1.0 1.8 4.03 2908 2508 A 89 ILE HG2% A 90 PRO HDx 1.0 1.8 4.11 2909 2508 A 89 ILE HG2% A 90 PRO HDy 1.0 1.8 4.11 2910 2509 A 91 LEU H A 90 PRO HGy 1.0 1.8 5.29 2911 2509 A 91 LEU H A 90 PRO HGx 1.0 1.8 5.29 2912 2510 A 91 LEU H A 91 LEU HBx 1.0 1.8 3.81 2913 2510 A 91 LEU H A 91 LEU HBy 1.0 1.8 3.81 2914 2511 A 91 LEU HD2% A 91 LEU HBx 1.0 1.8 3.54 2915 2511 A 91 LEU HD2% A 91 LEU HBy 1.0 1.8 3.54 2916 2512 A 93 LEU HG A 91 LEU HBx 1.0 1.8 4.62 2917 2512 A 93 LEU HG A 91 LEU HBy 1.0 1.8 4.62 2918 2513 A 93 LEU HD2% A 91 LEU HBx 1.0 1.8 4.69 2919 2513 A 93 LEU HD2% A 91 LEU HBy 1.0 1.8 4.69 2920 2514 A 94 GLY HAy A 95 GLU HBx 1.0 1.8 4.82 2921 2514 A 94 GLY HAy A 95 GLU HBy 1.0 1.8 4.82 2922 2515 A 95 GLU H A 95 GLU HBx 1.0 1.8 3.44 2923 2515 A 95 GLU H A 95 GLU HBy 1.0 1.8 3.44 2924 2516 A 95 GLU H A 95 GLU HGx 1.0 1.8 5.09 2925 2516 A 95 GLU H A 95 GLU HGy 1.0 1.8 5.09 2926 2517 A 95 GLU HA A 95 GLU HGx 1.0 1.8 3.74 2927 2517 A 95 GLU HA A 95 GLU HGy 1.0 1.8 3.74 2928 2518 A 96 ARG H A 96 ARG HBy 1.0 1.8 3.44 2929 2518 A 96 ARG H A 96 ARG HBx 1.0 1.8 3.44 2930 2519 A 96 ARG HA A 96 ARG HGy 1.0 1.8 3.73 2931 2519 A 96 ARG HA A 96 ARG HGx 1.0 1.8 3.73 2932 2520 A 96 ARG HA A 96 ARG HDy 1.0 1.8 4.51 2933 2520 A 96 ARG HA A 96 ARG HDx 1.0 1.8 4.51 2934 2521 A 96 ARG HBy A 96 ARG HDy 1.0 1.8 3.49 2935 2521 A 96 ARG HBx A 96 ARG HDy 1.0 1.8 3.49 2936 2521 A 96 ARG HDx A 96 ARG HBy 1.0 1.8 3.49 2937 2521 A 96 ARG HBx A 96 ARG HDx 1.0 1.8 3.49 2938 2522 A 97 ALA H A 96 ARG HGy 1.0 1.8 5.13 2939 2522 A 97 ALA H A 96 ARG HGx 1.0 1.8 5.13 2940 2523 A 97 ALA HB% A 98 SER HBx 1.0 1.8 5.87 2941 2523 A 97 ALA HB% A 98 SER HBy 1.0 1.8 5.87 2942 2524 A 98 SER H A 99 GLU HBy 1.0 1.8 5.31 2943 2524 A 98 SER H A 99 GLU HBx 1.0 1.8 5.31 2944 2525 A 99 GLU H A 98 SER HBx 1.0 1.8 4.60 2945 2525 A 99 GLU H A 98 SER HBy 1.0 1.8 4.60 2946 2526 A 101 ILE HB A 98 SER HBx 1.0 1.8 4.88 2947 2526 A 101 ILE HB A 98 SER HBy 1.0 1.8 4.88 2948 2527 A 101 ILE HG2% A 98 SER HBx 1.0 1.8 4.83 2949 2527 A 101 ILE HG2% A 98 SER HBy 1.0 1.8 4.83 2950 2528 A 101 ILE HD1% A 98 SER HBx 1.0 1.8 5.24 2951 2528 A 101 ILE HD1% A 98 SER HBy 1.0 1.8 5.24 2952 2529 A 99 GLU H A 99 GLU HBy 1.0 1.8 3.51 2953 2529 A 99 GLU H A 99 GLU HBx 1.0 1.8 3.51 2954 2530 A 99 GLU H A 99 GLU HGx 1.0 1.8 3.63 2955 2530 A 99 GLU H A 99 GLU HGy 1.0 1.8 3.63 2956 2531 A 99 GLU HA A 99 GLU HGx 1.0 1.8 3.73 2957 2531 A 99 GLU HA A 99 GLU HGy 1.0 1.8 3.73 2958 2532 A 100 TRP H A 99 GLU HBy 1.0 1.8 4.33 2959 2532 A 100 TRP H A 99 GLU HBx 1.0 1.8 4.33 2960 2533 A 100 TRP HD1 A 99 GLU HBy 1.0 1.8 4.76 2961 2533 A 100 TRP HD1 A 99 GLU HBx 1.0 1.8 4.76 2962 2534 A 100 TRP H A 100 TRP HBy 1.0 1.8 3.60 2963 2534 A 100 TRP H A 100 TRP HBx 1.0 1.8 3.60 2964 2535 A 100 TRP HD1 A 100 TRP HBy 1.0 1.8 3.59 2965 2535 A 100 TRP HD1 A 100 TRP HBx 1.0 1.8 3.59 2966 2536 A 100 TRP HE3 A 100 TRP HBy 1.0 1.8 4.06 2967 2536 A 100 TRP HE3 A 100 TRP HBx 1.0 1.8 4.06 2968 2537 A 101 ILE H A 100 TRP HBy 1.0 1.8 4.75 2969 2537 A 101 ILE H A 100 TRP HBx 1.0 1.8 4.75 2970 2538 A 101 ILE HA A 101 ILE HG1y 1.0 1.8 4.10 2971 2538 A 101 ILE HA A 101 ILE HG1x 1.0 1.8 4.10 2972 2539 A 101 ILE HG2% A 102 ILE HG1y 1.0 1.8 4.91 2973 2539 A 101 ILE HG2% A 102 ILE HG1x 1.0 1.8 4.91 2974 2540 A 101 ILE HG2% A 103 LEU HBx 1.0 1.8 4.72 2975 2540 A 101 ILE HG2% A 103 LEU HBy 1.0 1.8 4.72 2976 2541 A 102 ILE H A 102 ILE HG1y 1.0 1.8 4.20 2977 2541 A 102 ILE H A 102 ILE HG1x 1.0 1.8 4.20 2978 2542 A 102 ILE HA A 102 ILE HG1y 1.0 1.8 4.06 2979 2542 A 102 ILE HA A 102 ILE HG1x 1.0 1.8 4.06 2980 2543 A 102 ILE HA A 103 LEU HBx 1.0 1.8 5.87 2981 2543 A 102 ILE HA A 103 LEU HBy 1.0 1.8 5.87 2982 2544 A 103 LEU H A 103 LEU HBx 1.0 1.8 3.77 2983 2544 A 103 LEU H A 103 LEU HBy 1.0 1.8 3.77 2984 2545 A 103 LEU HA A 103 LEU HD1% 1.0 1.8 3.44 2985 2545 A 103 LEU HA A 103 LEU HD2% 1.0 1.8 3.44 2986 2546 A 103 LEU HBy A 103 LEU HD1% 1.0 1.8 3.00 2987 2546 A 103 LEU HBx A 103 LEU HD1% 1.0 1.8 3.00 2988 2546 A 103 LEU HD2% A 103 LEU HBx 1.0 1.8 3.00 2989 2546 A 103 LEU HBy A 103 LEU HD2% 1.0 1.8 3.00 2990 2547 A 104 GLU H A 103 LEU HBx 1.0 1.8 4.16 2991 2547 A 104 GLU H A 103 LEU HBy 1.0 1.8 4.16 2992 2548 A 104 GLU H A 103 LEU HD1% 1.0 1.8 4.55 2993 2548 A 104 GLU H A 103 LEU HD2% 1.0 1.8 4.55 2994 2549 A 104 GLU H A 104 GLU HBx 1.0 1.8 3.34 2995 2549 A 104 GLU H A 104 GLU HBy 1.0 1.8 3.34 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 THR N A 2 THR CA A 2 THR C 1.0 -135.70 -75.70 PHI 2 2 A 2 THR N A 2 THR CA A 2 THR C A 3 GLY N 1.0 140.37 200.37 PSI 3 3 A 3 GLY C A 4 GLN N A 4 GLN CA A 4 GLN C 1.0 -96.01 -36.01 PHI 4 4 A 4 GLN N A 4 GLN CA A 4 GLN C A 5 GLU N 1.0 -70.92 -10.92 PSI 5 5 A 4 GLN C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -96.42 -36.42 PHI 6 6 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 LEU N 1.0 -65.95 -5.95 PSI 7 7 A 5 GLU C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -95.17 -35.17 PHI 8 8 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 ARG N 1.0 -73.45 -13.45 PSI 9 9 A 6 LEU C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -91.77 -31.77 PHI 10 10 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 GLN N 1.0 -71.24 -11.24 PSI 11 11 A 7 ARG C A 8 GLN N A 8 GLN CA A 8 GLN C 1.0 -93.90 -33.90 PHI 12 12 A 8 GLN N A 8 GLN CA A 8 GLN C A 9 LEU N 1.0 -73.37 -13.37 PSI 13 13 A 8 GLN C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -94.86 -34.86 PHI 14 14 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 LEU N 1.0 -72.76 -12.76 PSI 15 15 A 9 LEU C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -96.15 -36.15 PHI 16 16 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 LEU N 1.0 -70.27 -10.27 PSI 17 17 A 10 LEU C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -94.94 -34.94 PHI 18 18 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 ASP N 1.0 -74.15 -14.15 PSI 19 19 A 11 LEU C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -95.67 -35.67 PHI 20 20 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 LYS N 1.0 -63.60 -3.60 PSI 21 21 A 12 ASP C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -112.49 -52.49 PHI 22 22 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 TRP N 1.0 -64.33 -4.33 PSI 23 23 A 13 LYS C A 14 TRP N A 14 TRP CA A 14 TRP C 1.0 -137.32 -77.32 PHI 24 24 A 14 TRP N A 14 TRP CA A 14 TRP C A 15 GLY N 1.0 -41.40 18.60 PSI 25 25 A 19 ASP C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -165.68 -105.68 PHI 26 26 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 GLN N 1.0 128.40 188.40 PSI 27 27 A 20 VAL C A 21 GLN N A 21 GLN CA A 21 GLN C 1.0 -162.21 -102.21 PHI 28 28 A 21 GLN N A 21 GLN CA A 21 GLN C A 22 PHE N 1.0 120.10 180.10 PSI 29 29 A 21 GLN C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -127.88 -67.88 PHI 30 30 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 ARG N 1.0 103.13 163.13 PSI 31 31 A 22 PHE C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -162.05 -102.05 PHI 32 32 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 ARG N 1.0 104.18 164.18 PSI 33 33 A 23 ARG C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -134.93 -74.93 PHI 34 34 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 THR N 1.0 96.84 156.84 PSI 35 35 A 24 ARG C A 25 THR N A 25 THR CA A 25 THR C 1.0 -143.43 -83.43 PHI 36 36 A 25 THR N A 25 THR CA A 25 THR C A 26 GLN N 1.0 78.38 138.38 PSI 37 37 A 27 GLY C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -163.14 -103.14 PHI 38 38 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 ILE N 1.0 127.55 187.55 PSI 39 39 A 28 LYS C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -147.84 -87.84 PHI 40 40 A 29 ILE N A 29 ILE CA A 29 ILE C A 30 PHE N 1.0 101.00 161.00 PSI 41 41 A 29 ILE C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -152.93 -92.93 PHI 42 42 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 LEU N 1.0 120.60 180.60 PSI 43 43 A 30 PHE C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -152.31 -92.31 PHI 44 44 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 GLN N 1.0 98.95 158.95 PSI 45 45 A 31 LEU C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -148.79 -88.79 PHI 46 46 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 VAL N 1.0 99.22 159.22 PSI 47 47 A 32 GLN C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -119.85 -59.85 PHI 48 48 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 MET N 1.0 104.10 164.10 PSI 49 49 A 36 LYS C A 37 TYR N A 37 TYR CA A 37 TYR C 1.0 -151.20 -91.20 PHI 50 50 A 37 TYR N A 37 TYR CA A 37 TYR C A 38 LEU N 1.0 119.38 179.38 PSI 51 51 A 37 TYR C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -90.37 -30.37 PHI 52 52 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 GLU N 1.0 -65.58 -5.58 PSI 53 53 A 40 GLN C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -95.33 -35.33 PHI 54 54 A 41 ALA N A 41 ALA CA A 41 ALA C A 42 SER N 1.0 -57.83 2.17 PSI 55 55 A 42 SER C A 43 PHE N A 43 PHE CA A 43 PHE C 1.0 -100.55 -40.55 PHI 56 56 A 43 PHE N A 43 PHE CA A 43 PHE C A 44 PRO N 1.0 99.22 159.22 PSI 57 57 A 44 PRO C A 45 MET N A 45 MET CA A 45 MET C 1.0 -159.40 -99.40 PHI 58 58 A 45 MET N A 45 MET CA A 45 MET C A 46 ASN N 1.0 125.63 185.63 PSI 59 59 A 45 MET C A 46 ASN N A 46 ASN CA A 46 ASN C 1.0 -114.91 -54.91 PHI 60 60 A 46 ASN N A 46 ASN CA A 46 ASN C A 47 GLU N 1.0 137.62 197.62 PSI 61 61 A 46 ASN C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -87.78 -27.78 PHI 62 62 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 THR N 1.0 -67.72 -7.72 PSI 63 63 A 47 GLU C A 48 THR N A 48 THR CA A 48 THR C 1.0 -98.82 -38.82 PHI 64 64 A 48 THR N A 48 THR CA A 48 THR C A 49 GLU N 1.0 -75.33 -15.33 PSI 65 65 A 48 THR C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -93.57 -33.57 PHI 66 66 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 TYR N 1.0 -71.97 -11.97 PSI 67 67 A 49 GLU C A 50 TYR N A 50 TYR CA A 50 TYR C 1.0 -93.32 -33.32 PHI 68 68 A 50 TYR N A 50 TYR CA A 50 TYR C A 51 GLN N 1.0 -71.61 -11.61 PSI 69 69 A 50 TYR C A 51 GLN N A 51 GLN CA A 51 GLN C 1.0 -92.81 -32.81 PHI 70 70 A 51 GLN N A 51 GLN CA A 51 GLN C A 52 GLU N 1.0 -72.81 -12.81 PSI 71 71 A 51 GLN C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -90.44 -30.44 PHI 72 72 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 HIS N 1.0 -72.44 -12.44 PSI 73 73 A 52 GLU C A 53 HIS N A 53 HIS CA A 53 HIS C 1.0 -95.93 -35.93 PHI 74 74 A 53 HIS N A 53 HIS CA A 53 HIS C A 54 LEU N 1.0 -71.56 -11.56 PSI 75 75 A 53 HIS C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -92.45 -32.45 PHI 76 76 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 ASP N 1.0 -71.37 -11.37 PSI 77 77 A 54 LEU C A 55 ASP N A 55 ASP CA A 55 ASP C 1.0 -93.49 -33.49 PHI 78 78 A 55 ASP N A 55 ASP CA A 55 ASP C A 56 SER N 1.0 -69.40 -9.40 PSI 79 79 A 55 ASP C A 56 SER N A 56 SER CA A 56 SER C 1.0 -97.61 -37.61 PHI 80 80 A 56 SER N A 56 SER CA A 56 SER C A 57 VAL N 1.0 -68.15 -8.15 PSI 81 81 A 56 SER C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -101.34 -41.34 PHI 82 82 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 ALA N 1.0 -68.95 -8.95 PSI 83 83 A 57 VAL C A 58 ALA N A 58 ALA CA A 58 ALA C 1.0 -93.61 -33.61 PHI 84 84 A 58 ALA N A 58 ALA CA A 58 ALA C A 59 ASN N 1.0 -67.83 -7.83 PSI 85 85 A 58 ALA C A 59 ASN N A 59 ASN CA A 59 ASN C 1.0 -94.69 -34.69 PHI 86 86 A 59 ASN N A 59 ASN CA A 59 ASN C A 60 TYR N 1.0 -68.90 -8.90 PSI 87 87 A 59 ASN C A 60 TYR N A 60 TYR CA A 60 TYR C 1.0 -96.40 -36.40 PHI 88 88 A 60 TYR N A 60 TYR CA A 60 TYR C A 61 LEU N 1.0 -71.37 -11.37 PSI 89 89 A 60 TYR C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -89.75 -29.75 PHI 90 90 A 61 LEU N A 61 LEU CA A 61 LEU C A 62 HIS N 1.0 -69.36 -9.36 PSI 91 91 A 61 LEU C A 62 HIS N A 62 HIS CA A 62 HIS C 1.0 -95.15 -35.15 PHI 92 92 A 62 HIS N A 62 HIS CA A 62 HIS C A 63 ALA N 1.0 -69.28 -9.28 PSI 93 93 A 62 HIS C A 63 ALA N A 63 ALA CA A 63 ALA C 1.0 -96.01 -36.01 PHI 94 94 A 63 ALA N A 63 ALA CA A 63 ALA C A 64 LEU N 1.0 -62.89 -2.89 PSI 95 95 A 63 ALA C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -113.02 -53.02 PHI 96 96 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 GLY N 1.0 -27.66 32.34 PSI 97 97 A 66 GLY C A 67 ALA N A 67 ALA CA A 67 ALA C 1.0 -91.26 -31.26 PHI 98 98 A 67 ALA N A 67 ALA CA A 67 ALA C A 68 VAL N 1.0 -72.40 -12.40 PSI 99 99 A 67 ALA C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -93.46 -33.46 PHI 100 100 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 GLN N 1.0 -72.72 -12.72 PSI 101 101 A 68 VAL C A 69 GLN N A 69 GLN CA A 69 GLN C 1.0 -94.69 -34.69 PHI 102 102 A 69 GLN N A 69 GLN CA A 69 GLN C A 70 VAL N 1.0 -71.47 -11.47 PSI 103 103 A 69 GLN C A 70 VAL N A 70 VAL CA A 70 VAL C 1.0 -94.97 -34.97 PHI 104 104 A 70 VAL N A 70 VAL CA A 70 VAL C A 71 LYS N 1.0 -73.80 -13.80 PSI 105 105 A 70 VAL C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -91.66 -31.66 PHI 106 106 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 THR N 1.0 -71.75 -11.75 PSI 107 107 A 71 LYS C A 72 THR N A 72 THR CA A 72 THR C 1.0 -98.44 -38.44 PHI 108 108 A 72 THR N A 72 THR CA A 72 THR C A 73 PHE N 1.0 -71.57 -11.57 PSI 109 109 A 72 THR C A 73 PHE N A 73 PHE CA A 73 PHE C 1.0 -88.89 -28.89 PHI 110 110 A 73 PHE N A 73 PHE CA A 73 PHE C A 74 ILE N 1.0 -73.57 -13.57 PSI 111 111 A 73 PHE C A 74 ILE N A 74 ILE CA A 74 ILE C 1.0 -95.21 -35.21 PHI 112 112 A 74 ILE N A 74 ILE CA A 74 ILE C A 75 THR N 1.0 -74.82 -14.82 PSI 113 113 A 74 ILE C A 75 THR N A 75 THR CA A 75 THR C 1.0 -89.76 -29.76 PHI 114 114 A 75 THR N A 75 THR CA A 75 THR C A 76 GLN N 1.0 -73.36 -13.36 PSI 115 115 A 75 THR C A 76 GLN N A 76 GLN CA A 76 GLN C 1.0 -99.02 -39.02 PHI 116 116 A 76 GLN N A 76 GLN CA A 76 GLN C A 77 THR N 1.0 -62.49 -2.49 PSI 117 117 A 81 PRO N A 81 PRO CA A 81 PRO C A 82 ARG N 1.0 122.12 182.12 PSI 118 118 A 81 PRO C A 82 ARG N A 82 ARG CA A 82 ARG C 1.0 -139.69 -79.69 PHI 119 119 A 82 ARG N A 82 ARG CA A 82 ARG C A 83 LEU N 1.0 127.27 187.27 PSI 120 120 A 83 LEU C A 84 GLY N A 84 GLY CA A 84 GLY C 1.0 61.15 121.15 PHI 121 121 A 84 GLY N A 84 GLY CA A 84 GLY C A 85 LYS N 1.0 -33.19 26.81 PSI 122 122 A 84 GLY C A 85 LYS N A 85 LYS CA A 85 LYS C 1.0 -123.06 -63.06 PHI 123 123 A 85 LYS N A 85 LYS CA A 85 LYS C A 86 ALA N 1.0 104.84 164.84 PSI 124 124 A 85 LYS C A 86 ALA N A 86 ALA CA A 86 ALA C 1.0 -117.63 -57.63 PHI 125 125 A 86 ALA N A 86 ALA CA A 86 ALA C A 87 VAL N 1.0 102.23 162.23 PSI 126 126 A 86 ALA C A 87 VAL N A 87 VAL CA A 87 VAL C 1.0 -128.33 -68.33 PHI 127 127 A 87 VAL N A 87 VAL CA A 87 VAL C A 88 SER N 1.0 91.40 151.40 PSI 128 128 A 87 VAL C A 88 SER N A 88 SER CA A 88 SER C 1.0 -138.82 -78.82 PHI 129 129 A 88 SER N A 88 SER CA A 88 SER C A 89 ILE N 1.0 88.21 148.21 PSI 130 130 A 88 SER C A 89 ILE N A 89 ILE CA A 89 ILE C 1.0 -122.46 -62.46 PHI 131 131 A 89 ILE N A 89 ILE CA A 89 ILE C A 90 PRO N 1.0 83.18 143.18 PSI 132 132 A 90 PRO N A 90 PRO CA A 90 PRO C A 91 LEU N 1.0 116.29 176.29 PSI 133 133 A 90 PRO C A 91 LEU N A 91 LEU CA A 91 LEU C 1.0 -131.29 -71.29 PHI 134 134 A 91 LEU N A 91 LEU CA A 91 LEU C A 92 ASP N 1.0 92.71 152.71 PSI 135 135 A 94 GLY C A 95 GLU N A 95 GLU CA A 95 GLU C 1.0 -93.00 -33.00 PHI 136 136 A 95 GLU N A 95 GLU CA A 95 GLU C A 96 ARG N 1.0 -60.10 -0.10 PSI 137 137 A 95 GLU C A 96 ARG N A 96 ARG CA A 96 ARG C 1.0 -91.54 -31.54 PHI 138 138 A 96 ARG N A 96 ARG CA A 96 ARG C A 97 ALA N 1.0 -70.90 -10.90 PSI 139 139 A 96 ARG C A 97 ALA N A 97 ALA CA A 97 ALA C 1.0 -89.92 -29.92 PHI 140 140 A 97 ALA N A 97 ALA CA A 97 ALA C A 98 SER N 1.0 -72.53 -12.53 PSI 141 141 A 97 ALA C A 98 SER N A 98 SER CA A 98 SER C 1.0 -92.14 -32.14 PHI 142 142 A 98 SER N A 98 SER CA A 98 SER C A 99 GLU N 1.0 -69.77 -9.77 PSI 143 143 A 98 SER C A 99 GLU N A 99 GLU CA A 99 GLU C 1.0 -96.88 -36.88 PHI 144 144 A 99 GLU N A 99 GLU CA A 99 GLU C A 100 TRP N 1.0 -69.08 -9.08 PSI 145 145 A 99 GLU C A 100 TRP N A 100 TRP CA A 100 TRP C 1.0 -102.20 -42.20 PHI 146 146 A 100 TRP N A 100 TRP CA A 100 TRP C A 101 ILE N 1.0 -63.48 -3.48 PSI 147 147 A 79 GLU C A 80 ARG N A 80 ARG CA A 80 ARG C 1.0 -156.52 -96.52 PHI 148 148 A 80 ARG N A 80 ARG CA A 80 ARG C A 81 PRO N 1.0 97.73 157.73 PSI 149 149 A 93 LEU C A 94 GLY N A 94 GLY CA A 94 GLY C 1.0 -127.24 -67.24 PHI 150 150 A 78 LYS CA A 78 LYS CB A 78 LYS CG A 78 LYS CD 1.0 160.00 200.00 CHI2 151 151 A 21 GLN CA A 21 GLN CB A 21 GLN CG A 21 GLN CD 1.0 160.00 200.00 CHI2 152 152 A 24 ARG CA A 24 ARG CB A 24 ARG CG A 24 ARG CD 1.0 160.00 200.00 CHI2 153 153 A 9 LEU N A 9 LEU CA A 9 LEU CB A 9 LEU CG 1.0 160.00 200.00 CHI1 154 154 A 9 LEU CA A 9 LEU CB A 9 LEU CG A 9 LEU CD1 1.0 40.00 80.00 CHI2 155 155 A 89 ILE N A 89 ILE CA A 89 ILE CB A 89 ILE CG1 1.0 -80.00 -40.00 CHI1 156 156 A 89 ILE CA A 89 ILE CB A 89 ILE CG1 A 89 ILE CD1 1.0 160.00 200.00 CHI2 157 157 A 83 LEU N A 83 LEU CA A 83 LEU CB A 83 LEU CG 1.0 160.00 200.00 CHI1 158 158 A 83 LEU CA A 83 LEU CB A 83 LEU CG A 83 LEU CD1 1.0 40.00 80.00 CHI2 159 159 A 93 LEU N A 93 LEU CA A 93 LEU CB A 93 LEU CG 1.0 -80.00 -40.00 CHI1 160 160 A 93 LEU CA A 93 LEU CB A 93 LEU CG A 93 LEU CD1 1.0 160.00 200.00 CHI2 161 161 A 22 PHE N A 22 PHE CA A 22 PHE CB A 22 PHE CG 1.0 -80.00 -40.00 CHI1 162 162 A 22 PHE CA A 22 PHE CB A 22 PHE CG A 22 PHE CD1 1.0 -80.00 -40.00 CHI2 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 9602.325 2 15N 2189.488 3 1H 11160.714 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 9602.325 2 13C 4829.178 3 1H 11160.714 stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 9602.325 2 13C 6036.992 3 1H 11160.714 stop_ save_