data_nef_c36176_5zmr 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5ZMR stop_ 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 SER middle . . 3 A 3 ARG middle . . 4 A 4 ASP middle . . 5 A 5 ALA middle . . 6 A 6 PRO middle . false 7 A 7 ILE middle . . 8 A 8 LYS middle . . 9 A 9 ALA middle . . 10 A 10 ASP middle . . 11 A 11 LYS middle . . 12 A 12 ASP middle . . 13 A 13 TYR middle . . 14 A 14 SER middle . . 15 A 15 GLN middle . . 16 A 16 ILE middle . . 17 A 17 LEU middle . . 18 A 18 LYS middle . . 19 A 19 GLU middle . . 20 A 20 GLU middle . . 21 A 21 PHE middle . . 22 A 22 PRO middle . false 23 A 23 LYS middle . . 24 A 24 ILE middle . . 25 A 25 ASP middle . . 26 A 26 SER middle . . 27 A 27 LEU middle . . 28 A 28 ALA middle . . 29 A 29 GLN middle . . 30 A 30 ASN middle . . 31 A 31 ASP middle . . 32 A 32 CYS middle . . 33 A 33 ASN middle . . 34 A 34 SER middle . . 35 A 35 ALA middle . . 36 A 36 LEU middle . . 37 A 37 ASP middle . . 38 A 38 GLN middle . . 39 A 39 LEU middle . . 40 A 40 LEU middle . . 41 A 41 VAL middle . . 42 A 42 LEU middle . . 43 A 43 GLU middle . . 44 A 44 LYS middle . . 45 A 45 LYS middle . . 46 A 46 THR middle . . 47 A 47 ARG middle . . 48 A 48 GLN middle . . 49 A 49 ALA middle . . 50 A 50 SER middle . . 51 A 51 ASP middle . . 52 A 52 LEU middle . . 53 A 53 ALA middle . . 54 A 54 SER middle . . 55 A 55 SER middle . . 56 A 56 LYS middle . . 57 A 57 GLU middle . . 58 A 58 VAL middle . . 59 A 59 LEU middle . . 60 A 60 ALA middle . . 61 A 61 LYS middle . . 62 A 62 ILE middle . . 63 A 63 VAL middle . . 64 A 64 ASP middle . . 65 A 65 LEU middle . . 66 A 66 LEU middle . . 67 A 67 ALA middle . . 68 A 68 SER middle . . 69 A 69 ARG middle . . 70 A 70 ASN middle . . 71 A 71 LYS middle . . 72 A 72 TRP middle . . 73 A 73 ASP middle . . 74 A 74 ASP middle . . 75 A 75 LEU middle . . 76 A 76 ASN middle . . 77 A 77 GLU middle . . 78 A 78 GLN middle . . 79 A 79 LEU middle . . 80 A 80 THR middle . . 81 A 81 LEU middle . . 82 A 82 LEU middle . . 83 A 83 SER middle . . 84 A 84 LYS middle . . 85 A 85 LYS middle . . 86 A 86 HIS middle . . 87 A 87 GLY middle . false 88 A 88 GLN middle . . 89 A 89 LEU middle . . 90 A 90 LYS middle . . 91 A 91 LEU middle . . 92 A 92 SER middle . . 93 A 93 ILE middle . . 94 A 94 GLN middle . . 95 A 95 TYR middle . . 96 A 96 MET middle . . 97 A 97 ILE middle . . 98 A 98 GLN middle . . 99 A 99 LYS middle . . 100 A 100 VAL middle . . 101 A 101 MET middle . . 102 A 102 GLU middle . . 103 A 103 TYR middle . . 104 A 104 LEU middle . . 105 A 105 LYS middle . . 106 A 106 SER middle . . 107 A 107 SER middle . . 108 A 108 LYS middle . . 109 A 109 SER middle . . 110 A 110 LEU middle . . 111 A 111 ASP middle . . 112 A 112 LEU middle . . 113 A 113 ASN middle . . 114 A 114 THR middle . . 115 A 115 ARG middle . . 116 A 116 ILE middle . . 117 A 117 SER middle . . 118 A 118 VAL middle . . 119 A 119 ILE middle . . 120 A 120 GLU middle . . 121 A 121 THR middle . . 122 A 122 ILE middle . . 123 A 123 ARG middle . . 124 A 124 VAL middle . . 125 A 125 VAL middle . . 126 A 126 THR middle . . 127 A 127 GLU middle . . 128 A 128 ASN middle . . 129 A 129 LYS middle . . 130 A 130 ILE middle . . 131 A 131 PHE middle . . 132 A 132 VAL middle . . 133 A 133 GLU middle . . 134 A 134 VAL middle . . 135 A 135 GLU middle . . 136 A 136 ARG end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 SER HA H 1 4.265 0.02 A 2 SER HBy H 1 3.977 0.02 A 2 SER HBx H 1 3.903 0.02 A 2 SER C C 13 175.479 0.3 A 2 SER CA C 13 61.193 0.3 A 2 SER CB C 13 62.328 0.3 A 3 ARG H H 1 8.563 0.02 A 3 ARG HA H 1 4.751 0.02 A 3 ARG HBx H 1 2.03 0.02 A 3 ARG C C 13 176.1 0.3 A 3 ARG CA C 13 62.146 0.3 A 3 ARG CB C 13 34.247 0.3 A 3 ARG N N 15 119.034 0.3 A 4 ASP H H 1 8.398 0.02 A 4 ASP HA H 1 4.068 0.02 A 4 ASP HBx H 1 1.848 0.02 A 4 ASP CA C 13 61.643 0.3 A 4 ASP CB C 13 38.483 0.3 A 4 ASP N N 15 121.994 0.3 A 6 PRO HA H 1 4.419 0.02 A 6 PRO HBy H 1 2.273 0.02 A 6 PRO HBx H 1 1.846 0.02 A 6 PRO HDy H 1 3.774 0.02 A 6 PRO HDx H 1 3.627 0.02 A 6 PRO HGx H 1 2.01 0.02 A 6 PRO C C 13 176.671 0.3 A 6 PRO CA C 13 62.925 0.3 A 6 PRO CB C 13 32.019 0.3 A 6 PRO CD C 13 50.485 0.3 A 6 PRO CG C 13 27.363 0.3 A 7 ILE H H 1 8.193 0.02 A 7 ILE HA H 1 4.099 0.02 A 7 ILE HB H 1 1.808 0.02 A 7 ILE HD1% H 1 0.867 0.02 A 7 ILE HG1y H 1 1.496 0.02 A 7 ILE HG1x H 1 1.189 0.02 A 7 ILE HG2% H 1 0.901 0.02 A 7 ILE C C 13 176.039 0.3 A 7 ILE CA C 13 61.049 0.3 A 7 ILE CB C 13 38.815 0.3 A 7 ILE CD1 C 13 12.893 0.3 A 7 ILE CG1 C 13 27.379 0.3 A 7 ILE CG2 C 13 17.323 0.03 A 7 ILE N N 15 121.315 0.3 A 8 LYS H H 1 8.359 0.02 A 8 LYS HA H 1 4.338 0.02 A 8 LYS HBy H 1 1.787 0.02 A 8 LYS HBx H 1 1.702 0.02 A 8 LYS HDy H 1 1.653 0.02 A 8 LYS HEx H 1 2.946 0.02 A 8 LYS HGy H 1 1.411 0.02 A 8 LYS HGx H 1 1.364 0.02 A 8 LYS HZ1 H 1 7.492 0.02 A 8 LYS HZ2 H 1 7.492 0.02 A 8 LYS HZ3 H 1 7.492 0.02 A 8 LYS C C 13 175.565 0.3 A 8 LYS CA C 13 55.898 0.3 A 8 LYS CB C 13 33.321 0.3 A 8 LYS CD C 13 29.16 0.3 A 8 LYS CE C 13 42.159 0.3 A 8 LYS CG C 13 24.666 0.3 A 8 LYS N N 15 126.539 0.3 A 9 ALA H H 1 8.387 0.02 A 9 ALA HA H 1 4.375 0.02 A 9 ALA HB% H 1 1.341 0.02 A 9 ALA C C 13 177.588 0.3 A 9 ALA CA C 13 52.205 0.3 A 9 ALA CB C 13 19.601 0.3 A 9 ALA N N 15 126.572 0.3 A 10 ASP H H 1 8.482 0.02 A 10 ASP HA H 1 4.512 0.02 A 10 ASP HBx H 1 2.579 0.02 A 10 ASP HBy H 1 2.647 0.02 A 10 ASP C C 13 176.033 0.3 A 10 ASP CA C 13 54.909 0.3 A 10 ASP CB C 13 41.429 0.3 A 10 ASP N N 15 120.361 0.3 A 11 LYS H H 1 7.813 0.02 A 11 LYS HA H 1 4.197 0.02 A 11 LYS HBx H 1 1.63 0.02 A 11 LYS HDx H 1 1.549 0.02 A 11 LYS HEy H 1 2.822 0.02 A 11 LYS HEx H 1 2.769 0.02 A 11 LYS HGy H 1 1.259 0.02 A 11 LYS HGx H 1 1.074 0.02 A 11 LYS C C 13 174.09 0.3 A 11 LYS CA C 13 55.886 0.3 A 11 LYS CB C 13 34.426 0.3 A 11 LYS CD C 13 29.034 0.3 A 11 LYS CE C 13 42.022 0.3 A 11 LYS CG C 13 24.836 0.3 A 11 LYS N N 15 118.944 0.3 A 12 ASP H H 1 7.875 0.02 A 12 ASP HA H 1 4.704 0.02 A 12 ASP HBy H 1 2.731 0.02 A 12 ASP HBx H 1 2.617 0.02 A 12 ASP C C 13 177.235 0.3 A 12 ASP CA C 13 52.527 0.3 A 12 ASP CB C 13 41.782 0.3 A 12 ASP N N 15 119.946 0.3 A 13 TYR H H 1 9.37 0.02 A 13 TYR HA H 1 4.201 0.02 A 13 TYR HBy H 1 3.058 0.02 A 13 TYR HBx H 1 2.812 0.02 A 13 TYR C C 13 176.497 0.3 A 13 TYR CA C 13 60.542 0.3 A 13 TYR CB C 13 38.278 0.3 A 13 TYR N N 15 124.997 0.3 A 14 SER H H 1 8.614 0.02 A 14 SER HA H 1 3.857 0.02 A 14 SER HBx H 1 3.765 0.02 A 14 SER C C 13 177.105 0.3 A 14 SER CA C 13 62.661 0.3 A 14 SER N N 15 117.441 0.3 A 15 GLN H H 1 8.172 0.02 A 15 GLN HA H 1 4.023 0.02 A 15 GLN HBx H 1 1.999 0.02 A 15 GLN HE2y H 1 7.663 0.02 A 15 GLN HE2x H 1 6.797 0.02 A 15 GLN HGx H 1 2.316 0.02 A 15 GLN C C 13 178.36 0.3 A 15 GLN CA C 13 58.044 0.3 A 15 GLN CB C 13 27.996 0.3 A 15 GLN CG C 13 33.614 0.3 A 15 GLN N N 15 121.176 0.3 A 15 GLN NE2 N 15 112.857 0.3 A 16 ILE H H 1 7.42 0.02 A 16 ILE HA H 1 3.798 0.02 A 16 ILE HB H 1 1.918 0.02 A 16 ILE HD1% H 1 0.678 0.02 A 16 ILE HG1y H 1 1.493 0.02 A 16 ILE HG1x H 1 1.208 0.02 A 16 ILE HG2% H 1 0.922 0.02 A 16 ILE C C 13 178.647 0.3 A 16 ILE CA C 13 64.103 0.3 A 16 ILE CB C 13 37.774 0.3 A 16 ILE CD1 C 13 12.863 0.3 A 16 ILE CG1 C 13 29.188 0.3 A 16 ILE CG2 C 13 17.305 0.3 A 16 ILE N N 15 121.53 0.3 A 17 LEU H H 1 8.116 0.02 A 17 LEU HA H 1 3.276 0.02 A 17 LEU HBy H 1 1.47 0.02 A 17 LEU HBx H 1 0.477 0.02 A 17 LEU HDx% H 1 0.587 0.02 A 17 LEU HDy% H 1 0.789 0.02 A 17 LEU HG H 1 1.581 0.02 A 17 LEU C C 13 178.328 0.3 A 17 LEU CA C 13 58.797 0.3 A 17 LEU CB C 13 39.865 0.3 A 17 LEU CDx C 13 23.68 0.3 A 17 LEU CDy C 13 25.133 0.3 A 17 LEU CG C 13 27.046 0.3 A 17 LEU N N 15 118.964 0.3 A 18 LYS H H 1 7.027 0.02 A 18 LYS HA H 1 3.902 0.02 A 18 LYS HBx H 1 1.856 0.02 A 18 LYS HEx H 1 2.991 0.02 A 18 LYS HGx H 1 1.391 0.02 A 18 LYS HGy H 1 1.57 0.02 A 18 LYS C C 13 178.574 0.3 A 18 LYS CA C 13 59.011 0.3 A 18 LYS CB C 13 32.397 0.3 A 18 LYS CD C 13 29.217 0.3 A 18 LYS CE C 13 42.131 0.3 A 18 LYS CG C 13 25.159 0.3 A 18 LYS N N 15 115.178 0.3 A 19 GLU H H 1 7.329 0.02 A 19 GLU HA H 1 4.204 0.02 A 19 GLU HBy H 1 2.164 0.02 A 19 GLU HBx H 1 2.066 0.02 A 19 GLU HGx H 1 2.24 0.02 A 19 GLU HGy H 1 2.404 0.02 A 19 GLU C C 13 178.828 0.3 A 19 GLU CA C 13 57.825 0.3 A 19 GLU CB C 13 30.455 0.3 A 19 GLU CG C 13 36.117 0.3 A 19 GLU N N 15 116.133 0.3 A 20 GLU H H 1 8.58 0.02 A 20 GLU HA H 1 4.338 0.02 A 20 GLU HBx H 1 1.758 0.02 A 20 GLU HBy H 1 2.26 0.02 A 20 GLU HGx H 1 2.516 0.02 A 20 GLU C C 13 179.347 0.3 A 20 GLU CA C 13 58.049 0.3 A 20 GLU CB C 13 30.673 0.3 A 20 GLU CG C 13 36.202 0.3 A 20 GLU N N 15 116.835 0.3 A 21 PHE H H 1 9.052 0.02 A 21 PHE HA H 1 4.685 0.02 A 21 PHE HBy H 1 3.575 0.02 A 21 PHE HBx H 1 3.24 0.02 A 21 PHE CA C 13 60.106 0.3 A 21 PHE CB C 13 34.279 0.3 A 21 PHE N N 15 119.56 0.3 A 22 PRO HA H 1 4.408 0.02 A 22 PRO HBy H 1 2.402 0.02 A 22 PRO HBx H 1 1.802 0.02 A 22 PRO HDx H 1 3.54 0.02 A 22 PRO HDy H 1 3.627 0.02 A 22 PRO HGy H 1 2.153 0.02 A 22 PRO HGx H 1 2.026 0.02 A 22 PRO C C 13 180.067 0.3 A 22 PRO CA C 13 66.244 0.3 A 22 PRO CB C 13 31.302 0.3 A 22 PRO CD C 13 50.78 0.3 A 22 PRO CG C 13 28.742 0.3 A 23 LYS H H 1 6.855 0.02 A 23 LYS HA H 1 4.114 0.02 A 23 LYS HBy H 1 2.142 0.02 A 23 LYS HBx H 1 1.963 0.02 A 23 LYS HDx H 1 1.746 0.02 A 23 LYS HEx H 1 2.955 0.02 A 23 LYS HGx H 1 1.423 0.02 A 23 LYS HGy H 1 1.65 0.02 A 23 LYS C C 13 179.872 0.3 A 23 LYS CA C 13 59.205 0.3 A 23 LYS CB C 13 32.273 0.3 A 23 LYS CD C 13 29.695 0.3 A 23 LYS CE C 13 42.235 0.3 A 23 LYS CG C 13 25.19 0.3 A 23 LYS N N 15 116.915 0.3 A 24 ILE H H 1 8.319 0.02 A 24 ILE HA H 1 3.534 0.02 A 24 ILE HB H 1 2.021 0.02 A 24 ILE HD1% H 1 0.882 0.02 A 24 ILE HG1x H 1 1.038 0.02 A 24 ILE HG2% H 1 0.815 0.02 A 24 ILE C C 13 177.398 0.3 A 24 ILE CA C 13 65.647 0.3 A 24 ILE CB C 13 38.154 0.3 A 24 ILE CD1 C 13 14.322 0.3 A 24 ILE CG1 C 13 30.056 0.3 A 24 ILE CG2 C 13 17.253 0.3 A 24 ILE N N 15 123.86 0.3 A 25 ASP H H 1 8.601 0.02 A 25 ASP HA H 1 4.233 0.02 A 25 ASP HBy H 1 2.657 0.02 A 25 ASP HBx H 1 2.538 0.02 A 25 ASP C C 13 179.169 0.3 A 25 ASP CA C 13 57.724 0.3 A 25 ASP CB C 13 40.09 0.3 A 25 ASP N N 15 120.311 0.3 A 26 SER H H 1 7.5 0.02 A 26 SER HA H 1 4.212 0.02 A 26 SER HBx H 1 3.931 0.02 A 26 SER C C 13 177.588 0.3 A 26 SER CA C 13 61.64 0.3 A 26 SER CB C 13 62.758 0.3 A 26 SER N N 15 114.026 0.3 A 27 LEU H H 1 7.961 0.02 A 27 LEU HA H 1 4.163 0.02 A 27 LEU HBy H 1 1.779 0.02 A 27 LEU HBx H 1 1.716 0.02 A 27 LEU HDx% H 1 0.786 0.02 A 27 LEU HDy% H 1 0.928 0.02 A 27 LEU HG H 1 1.663 0.02 A 27 LEU C C 13 178.718 0.3 A 27 LEU CA C 13 57.59 0.3 A 27 LEU CB C 13 42.587 0.3 A 27 LEU CDy C 13 25.159 0.3 A 27 LEU CDx C 13 23.75 0.3 A 27 LEU CG C 13 26.754 0.3 A 27 LEU N N 15 124.085 0.3 A 28 ALA H H 1 8.575 0.02 A 28 ALA HA H 1 3.57 0.02 A 28 ALA HB% H 1 1.264 0.02 A 28 ALA C C 13 177.334 0.3 A 28 ALA CA C 13 54.247 0.3 A 28 ALA CB C 13 18.655 0.3 A 28 ALA N N 15 119.154 0.3 A 29 GLN H H 1 7.111 0.02 A 29 GLN HA H 1 3.952 0.02 A 29 GLN HBx H 1 2.078 0.02 A 29 GLN HE2x H 1 7.48 0.02 A 29 GLN HGy H 1 2.539 0.02 A 29 GLN HGx H 1 2.45 0.02 A 29 GLN C C 13 176.718 0.3 A 29 GLN CA C 13 58.028 0.3 A 29 GLN CB C 13 28.584 0.3 A 29 GLN CG C 13 33.787 0.3 A 29 GLN N N 15 113.04 0.3 A 29 GLN NE2 N 15 112.98 0.3 A 30 ASN H H 1 7.479 0.02 A 30 ASN HA H 1 4.917 0.02 A 30 ASN HBy H 1 2.791 0.02 A 30 ASN HBx H 1 2.689 0.02 A 30 ASN HD2x H 1 6.901 0.02 A 30 ASN HD2y H 1 7.575 0.02 A 30 ASN C C 13 174.917 0.3 A 30 ASN CA C 13 53.801 0.3 A 30 ASN CB C 13 41.165 0.3 A 30 ASN N N 15 112.905 0.3 A 30 ASN ND2 N 15 113.807 0.3 A 31 ASP H H 1 8.492 0.02 A 31 ASP HA H 1 4.707 0.02 A 31 ASP HBy H 1 2.812 0.02 A 31 ASP HBx H 1 2.516 0.02 A 31 ASP C C 13 174.393 0.3 A 31 ASP CA C 13 53.475 0.3 A 31 ASP CB C 13 40.549 0.3 A 31 ASP N N 15 120.058 0.3 A 32 CYS H H 1 8.867 0.02 A 32 CYS HA H 1 3.904 0.02 A 32 CYS HBy H 1 2.91 0.02 A 32 CYS HBx H 1 2.817 0.02 A 32 CYS C C 13 175.858 0.3 A 32 CYS CA C 13 62.678 0.3 A 32 CYS CB C 13 26.321 0.3 A 32 CYS N N 15 125.237 0.3 A 33 ASN H H 1 8.42 0.02 A 33 ASN HA H 1 4.309 0.02 A 33 ASN HBy H 1 2.832 0.02 A 33 ASN HBx H 1 2.692 0.02 A 33 ASN HD2x H 1 6.88 0.02 A 33 ASN HD2y H 1 7.712 0.02 A 33 ASN C C 13 177.674 0.3 A 33 ASN CA C 13 56.862 0.3 A 33 ASN CB C 13 37.736 0.3 A 33 ASN N N 15 117.778 0.3 A 33 ASN ND2 N 15 112.975 0.3 A 34 SER H H 1 7.9 0.02 A 34 SER HA H 1 4.28 0.02 A 34 SER HBx H 1 3.691 0.02 A 34 SER HBy H 1 3.814 0.02 A 34 SER C C 13 176.727 0.3 A 34 SER CA C 13 61.643 0.3 A 34 SER CB C 13 62.385 0.3 A 34 SER N N 15 116.438 0.3 A 35 ALA H H 1 7.473 0.02 A 35 ALA HA H 1 3.917 0.02 A 35 ALA HB% H 1 1.393 0.02 A 35 ALA C C 13 178.404 0.3 A 35 ALA CA C 13 55.61 0.3 A 35 ALA CB C 13 18.441 0.3 A 35 ALA N N 15 123.61 0.3 A 36 LEU H H 1 8.285 0.02 A 36 LEU HA H 1 3.853 0.02 A 36 LEU HBy H 1 2.116 0.02 A 36 LEU HBx H 1 1.293 0.02 A 36 LEU HG H 1 1.55 0.02 A 36 LEU C C 13 178.07 0.3 A 36 LEU CA C 13 58.215 0.3 A 36 LEU CB C 13 40.785 0.3 A 36 LEU N N 15 118.946 0.3 A 37 ASP H H 1 8.033 0.02 A 37 ASP HA H 1 4.288 0.02 A 37 ASP HBy H 1 2.831 0.02 A 37 ASP HBx H 1 2.648 0.02 A 37 ASP C C 13 179.38 0.3 A 37 ASP CA C 13 57.899 0.3 A 37 ASP CB C 13 40.483 0.3 A 37 ASP N N 15 118.36 0.3 A 38 GLN H H 1 7.702 0.02 A 38 GLN HA H 1 4.026 0.02 A 38 GLN HBx H 1 2.086 0.02 A 38 GLN HGx H 1 2.461 0.02 A 38 GLN C C 13 180.109 0.3 A 38 GLN CA C 13 59.108 0.3 A 38 GLN CB C 13 28.133 0.3 A 38 GLN CG C 13 33.802 0.3 A 38 GLN N N 15 117.344 0.3 A 39 LEU H H 1 8.216 0.02 A 39 LEU HA H 1 4.069 0.02 A 39 LEU HBx H 1 1.259 0.02 A 39 LEU HBy H 1 2.153 0.02 A 39 LEU HG H 1 1.852 0.02 A 39 LEU C C 13 178.881 0.3 A 39 LEU CA C 13 58.3 0.3 A 39 LEU CB C 13 41.717 0.3 A 39 LEU N N 15 121.898 0.3 A 40 LEU H H 1 8.71 0.02 A 40 LEU HA H 1 4.17 0.02 A 40 LEU HBx H 1 1.384 0.02 A 40 LEU HBy H 1 2.049 0.02 A 40 LEU HDx% H 1 0.849 0.02 A 40 LEU HDy% H 1 0.65 0.02 A 40 LEU HG H 1 1.769 0.02 A 40 LEU C C 13 181.323 0.3 A 40 LEU CA C 13 57.629 0.3 A 40 LEU CB C 13 40.584 0.3 A 40 LEU CDy C 13 25.506 0.3 A 40 LEU CDx C 13 21.755 0.3 A 40 LEU CG C 13 26.708 0.3 A 40 LEU N N 15 120.202 0.3 A 41 VAL H H 1 7.775 0.02 A 41 VAL HA H 1 3.737 0.02 A 41 VAL HB H 1 2.265 0.02 A 41 VAL HGx% H 1 0.902 0.02 A 41 VAL HGy% H 1 1.071 0.02 A 41 VAL C C 13 178.738 0.3 A 41 VAL CA C 13 67.017 0.3 A 41 VAL CB C 13 31.828 0.3 A 41 VAL CGx C 13 21.242 0.3 A 41 VAL CGy C 13 22.624 0.3 A 41 VAL N N 15 123.804 0.3 A 42 LEU H H 1 7.293 0.02 A 42 LEU HA H 1 3.879 0.02 A 42 LEU HBy H 1 2.12 0.02 A 42 LEU HBx H 1 1.251 0.02 A 42 LEU HDx% H 1 0.889 0.02 A 42 LEU HDy% H 1 0.738 0.02 A 42 LEU HG H 1 1.89 0.02 A 42 LEU C C 13 179.255 0.3 A 42 LEU CA C 13 57.756 0.3 A 42 LEU CB C 13 42.285 0.3 A 42 LEU CDy C 13 25.704 0.3 A 42 LEU CDx C 13 22.44 0.3 A 42 LEU CG C 13 26.684 0.3 A 42 LEU N N 15 118.902 0.3 A 43 GLU H H 1 9.13 0.02 A 43 GLU HA H 1 3.561 0.02 A 43 GLU HBx H 1 1.754 0.02 A 43 GLU HBy H 1 2.5 0.02 A 43 GLU HGy H 1 2.251 0.02 A 43 GLU HGx H 1 2.2 0.02 A 43 GLU C C 13 177.065 0.3 A 43 GLU CA C 13 61.278 0.3 A 43 GLU CB C 13 28.734 0.3 A 43 GLU CG C 13 37.73 0.3 A 43 GLU N N 15 123.434 0.3 A 44 LYS H H 1 7.245 0.02 A 44 LYS HA H 1 3.835 0.02 A 44 LYS HBx H 1 1.97 0.02 A 44 LYS HEx H 1 2.988 0.02 A 44 LYS C C 13 178.477 0.3 A 44 LYS CA C 13 59.863 0.3 A 44 LYS CB C 13 32.166 0.3 A 44 LYS N N 15 119.316 0.3 A 45 LYS H H 1 7.687 0.02 A 45 LYS HA H 1 3.935 0.02 A 45 LYS HBy H 1 1.579 0.02 A 45 LYS HBx H 1 1.427 0.02 A 45 LYS C C 13 180.101 0.3 A 45 LYS CA C 13 59.822 0.3 A 45 LYS CB C 13 32.148 0.3 A 45 LYS CG C 13 25.093 0.3 A 45 LYS N N 15 117.313 0.3 A 46 THR H H 1 8.105 0.02 A 46 THR HA H 1 3.635 0.02 A 46 THR HB H 1 4.026 0.02 A 46 THR HG2% H 1 0.911 0.02 A 46 THR C C 13 176.44 0.3 A 46 THR CA C 13 65.775 0.3 A 46 THR CB C 13 68.587 0.3 A 46 THR CG2 C 13 23.277 0.3 A 46 THR N N 15 109.606 0.3 A 47 ARG H H 1 8.024 0.02 A 47 ARG HA H 1 4.01 0.02 A 47 ARG HBy H 1 2.083 0.02 A 47 ARG HBx H 1 1.977 0.02 A 47 ARG C C 13 180.658 0.3 A 47 ARG CA C 13 59.645 0.3 A 47 ARG CB C 13 29.97 0.3 A 47 ARG N N 15 125.124 0.3 A 48 GLN H H 1 8.692 0.02 A 48 GLN HA H 1 4.047 0.02 A 48 GLN HBy H 1 2.187 0.02 A 48 GLN HBx H 1 2.055 0.02 A 48 GLN HE2y H 1 7.496 0.02 A 48 GLN HE2x H 1 6.84 0.02 A 48 GLN HGy H 1 2.665 0.02 A 48 GLN HGx H 1 2.397 0.02 A 48 GLN C C 13 177.545 0.3 A 48 GLN CA C 13 59.1 0.3 A 48 GLN CB C 13 28.258 0.3 A 48 GLN CG C 13 34.728 0.3 A 48 GLN N N 15 119.449 0.3 A 48 GLN NE2 N 15 111.549 0.3 A 49 ALA H H 1 7.321 0.02 A 49 ALA HA H 1 4.537 0.02 A 49 ALA HB% H 1 1.72 0.02 A 49 ALA C C 13 176.153 0.3 A 49 ALA CA C 13 51.962 0.3 A 49 ALA CB C 13 20.112 0.3 A 49 ALA N N 15 118.674 0.3 A 50 SER H H 1 7.96 0.02 A 50 SER HA H 1 3.843 0.02 A 50 SER HBx H 1 4.037 0.02 A 50 SER HBy H 1 4.174 0.02 A 50 SER C C 13 173.537 0.3 A 50 SER CA C 13 59.111 0.3 A 50 SER CB C 13 62.001 0.3 A 50 SER N N 15 113.121 0.3 A 51 ASP H H 1 8.146 0.02 A 51 ASP HA H 1 4.797 0.02 A 51 ASP HBx H 1 2.872 0.02 A 51 ASP C C 13 175.224 0.3 A 51 ASP CA C 13 51.774 0.3 A 51 ASP CB C 13 39.578 0.3 A 51 ASP N N 15 117.629 0.3 A 52 LEU H H 1 7.632 0.02 A 52 LEU HA H 1 3.903 0.02 A 52 LEU HBy H 1 1.799 0.02 A 52 LEU HBx H 1 1.563 0.02 A 52 LEU HDx% H 1 0.934 0.02 A 52 LEU HDy% H 1 0.912 0.02 A 52 LEU HG H 1 1.431 0.02 A 52 LEU C C 13 177.41 0.3 A 52 LEU CA C 13 58.406 0.3 A 52 LEU CB C 13 42.185 0.3 A 52 LEU CDy C 13 26.051 0.3 A 52 LEU CDx C 13 24.674 0.3 A 52 LEU CG C 13 27.257 0.3 A 52 LEU N N 15 125.711 0.3 A 53 ALA H H 1 8.446 0.02 A 53 ALA HA H 1 3.878 0.02 A 53 ALA HB% H 1 1.43 0.02 A 53 ALA C C 13 181.141 0.3 A 53 ALA CA C 13 55.677 0.3 A 53 ALA CB C 13 18.213 0.3 A 53 ALA N N 15 119.163 0.3 A 54 SER H H 1 7.527 0.02 A 54 SER HA H 1 4.232 0.02 A 54 SER HBx H 1 3.907 0.02 A 54 SER HBy H 1 4.008 0.02 A 54 SER CA C 13 61.258 0.3 A 54 SER CB C 13 62.209 0.3 A 54 SER N N 15 113.07 0.3 A 55 SER H H 1 8.563 0.02 A 55 SER HA H 1 4.007 0.02 A 55 SER HBx H 1 4.208 0.02 A 55 SER C C 13 176.842 0.3 A 55 SER CA C 13 62.114 0.3 A 55 SER N N 15 119.079 0.3 A 56 LYS H H 1 8.368 0.02 A 56 LYS HA H 1 3.847 0.02 A 56 LYS HBy H 1 2.19 0.02 A 56 LYS HBx H 1 1.748 0.02 A 56 LYS C C 13 178.437 0.3 A 56 LYS CA C 13 61.136 0.3 A 56 LYS CB C 13 32.582 0.3 A 56 LYS N N 15 116.931 0.3 A 57 GLU H H 1 7.027 0.02 A 57 GLU HA H 1 4.265 0.02 A 57 GLU HBx H 1 2.289 0.02 A 57 GLU HGx H 1 2.42 0.02 A 57 GLU HGy H 1 2.503 0.02 A 57 GLU C C 13 180.466 0.3 A 57 GLU CA C 13 59.182 0.3 A 57 GLU CB C 13 30.071 0.3 A 57 GLU CG C 13 35.957 0.3 A 57 GLU N N 15 114.666 0.3 A 58 VAL H H 1 8.508 0.02 A 58 VAL HA H 1 3.658 0.02 A 58 VAL HB H 1 2.33 0.02 A 58 VAL HGx% H 1 0.91 0.02 A 58 VAL HGy% H 1 1.124 0.02 A 58 VAL C C 13 177.667 0.3 A 58 VAL CA C 13 67.707 0.3 A 58 VAL CB C 13 31.524 0.3 A 58 VAL CGx C 13 22.549 0.3 A 58 VAL CGy C 13 24.949 0.3 A 58 VAL N N 15 121.297 0.3 A 59 LEU H H 1 8.974 0.02 A 59 LEU HA H 1 3.928 0.02 A 59 LEU HBx H 1 1.455 0.02 A 59 LEU HBy H 1 1.894 0.02 A 59 LEU HDx% H 1 0.827 0.02 A 59 LEU HDy% H 1 0.843 0.02 A 59 LEU HG H 1 2.111 0.02 A 59 LEU C C 13 180.132 0.3 A 59 LEU CA C 13 59.011 0.3 A 59 LEU CB C 13 39.677 0.3 A 59 LEU CDy C 13 26.324 0.3 A 59 LEU CDx C 13 24.122 0.3 A 59 LEU CG C 13 26.805 0.3 A 59 LEU N N 15 118.928 0.3 A 60 ALA H H 1 8.511 0.02 A 60 ALA HA H 1 3.813 0.02 A 60 ALA HB% H 1 1.659 0.02 A 60 ALA C C 13 179.159 0.3 A 60 ALA CA C 13 55.687 0.3 A 60 ALA CB C 13 18.974 0.3 A 60 ALA N N 15 119.366 0.3 A 61 LYS H H 1 7.84 0.02 A 61 LYS HA H 1 4.02 0.02 A 61 LYS HBy H 1 1.823 0.02 A 61 LYS HBx H 1 1.687 0.02 A 61 LYS HDy H 1 1.088 0.02 A 61 LYS HDx H 1 0.919 0.02 A 61 LYS HEy H 1 2.211 0.02 A 61 LYS HEx H 1 2.142 0.02 A 61 LYS HGx H 1 0.735 0.02 A 61 LYS HGy H 1 0.982 0.02 A 61 LYS C C 13 178.848 0.3 A 61 LYS CA C 13 58.123 0.3 A 61 LYS CB C 13 31.261 0.3 A 61 LYS CD C 13 27.522 0.3 A 61 LYS CE C 13 41.265 0.3 A 61 LYS CG C 13 24.924 0.3 A 61 LYS N N 15 119.838 0.3 A 62 ILE H H 1 8.077 0.02 A 62 ILE HA H 1 3.285 0.02 A 62 ILE HB H 1 2.047 0.02 A 62 ILE HD1% H 1 0.66 0.02 A 62 ILE HG1x H 1 1.99 0.02 A 62 ILE HG2% H 1 0.54 0.02 A 62 ILE C C 13 176.871 0.3 A 62 ILE CA C 13 66.716 0.3 A 62 ILE CB C 13 37.594 0.3 A 62 ILE CD1 C 13 13.768 0.3 A 62 ILE CG1 C 13 31.175 0.3 A 62 ILE CG2 C 13 15.914 0.3 A 62 ILE N N 15 120.941 0.3 A 63 VAL H H 1 7.536 0.02 A 63 VAL HA H 1 3.168 0.02 A 63 VAL HB H 1 2.167 0.02 A 63 VAL HGx% H 1 0.592 0.02 A 63 VAL HGy% H 1 1.028 0.02 A 63 VAL C C 13 176.853 0.3 A 63 VAL CA C 13 66.998 0.3 A 63 VAL CB C 13 31.096 0.3 A 63 VAL CGx C 13 21.628 0.3 A 63 VAL CGy C 13 24.297 0.3 A 63 VAL N N 15 117.465 0.3 A 64 ASP H H 1 8.172 0.02 A 64 ASP HA H 1 3.946 0.02 A 64 ASP HBy H 1 2.694 0.02 A 64 ASP HBx H 1 2.559 0.02 A 64 ASP C C 13 178.484 0.3 A 64 ASP CA C 13 57.864 0.3 A 64 ASP CB C 13 41.844 0.3 A 64 ASP N N 15 117.431 0.3 A 65 LEU H H 1 8.316 0.02 A 65 LEU HA H 1 3.63 0.02 A 65 LEU HBy H 1 1.71 0.02 A 65 LEU HBx H 1 1.436 0.02 A 65 LEU HDx% H 1 0.725 0.02 A 65 LEU HG H 1 0.731 0.02 A 65 LEU C C 13 177.876 0.3 A 65 LEU CA C 13 58.031 0.3 A 65 LEU CB C 13 42.583 0.3 A 65 LEU CDx C 13 24.638 0.3 A 65 LEU CG C 13 26.651 0.3 A 65 LEU N N 15 120.02 0.3 A 66 LEU H H 1 7.367 0.02 A 66 LEU HA H 1 3.884 0.02 A 66 LEU HBx H 1 1.254 0.02 A 66 LEU HBy H 1 1.409 0.02 A 66 LEU HDx% H 1 0.536 0.02 A 66 LEU C C 13 179.068 0.3 A 66 LEU CA C 13 56.675 0.3 A 66 LEU CB C 13 42.194 0.3 A 66 LEU N N 15 112.998 0.3 A 67 ALA H H 1 9.091 0.02 A 67 ALA HA H 1 2.443 0.02 A 67 ALA HB% H 1 0.252 0.02 A 67 ALA C C 13 181.628 0.3 A 67 ALA CA C 13 55.161 0.3 A 67 ALA CB C 13 17.426 0.3 A 67 ALA N N 15 122.58 0.3 A 68 SER H H 1 7.396 0.02 A 68 SER HA H 1 4.107 0.02 A 68 SER C C 13 175.103 0.3 A 68 SER CA C 13 61.567 0.3 A 68 SER CB C 13 62.725 0.3 A 68 SER N N 15 111.168 0.3 A 69 ARG H H 1 6.367 0.02 A 69 ARG HA H 1 4.364 0.02 A 69 ARG HBy H 1 2.102 0.02 A 69 ARG HBx H 1 1.237 0.02 A 69 ARG HDx H 1 3.905 0.02 A 69 ARG C C 13 174.66 0.3 A 69 ARG CA C 13 55.087 0.3 A 69 ARG CB C 13 30.551 0.3 A 69 ARG CD C 13 45.4 0.3 A 69 ARG N N 15 119.248 0.3 A 70 ASN H H 1 7.727 0.02 A 70 ASN HA H 1 3.815 0.02 A 70 ASN HBy H 1 3.323 0.02 A 70 ASN HBx H 1 2.928 0.02 A 70 ASN HD2x H 1 6.941 0.02 A 70 ASN HD2y H 1 7.674 0.02 A 70 ASN C C 13 175.068 0.3 A 70 ASN CA C 13 54.764 0.3 A 70 ASN CB C 13 37.442 0.3 A 70 ASN N N 15 114.729 0.3 A 70 ASN ND2 N 15 114.355 0.3 A 71 LYS H H 1 7.812 0.02 A 71 LYS HA H 1 4.631 0.02 A 71 LYS HBy H 1 1.974 0.02 A 71 LYS HBx H 1 1.438 0.02 A 71 LYS HDx H 1 1.56 0.02 A 71 LYS HEx H 1 3.06 0.02 A 71 LYS HGx H 1 1.266 0.02 A 71 LYS C C 13 177.189 0.3 A 71 LYS CA C 13 54.243 0.3 A 71 LYS CB C 13 29.629 0.3 A 71 LYS CD C 13 29.276 0.3 A 71 LYS CE C 13 42 0.3 A 71 LYS CG C 13 24.029 0.3 A 71 LYS N N 15 120.991 0.3 A 72 TRP H H 1 7.048 0.02 A 72 TRP HA H 1 3.904 0.02 A 72 TRP HBy H 1 3.012 0.02 A 72 TRP HBx H 1 2.878 0.02 A 72 TRP HD1 H 1 7.209 0.02 A 72 TRP HE1 H 1 10.198 0.02 A 72 TRP C C 13 177.849 0.3 A 72 TRP CA C 13 60.216 0.3 A 72 TRP CB C 13 29.311 0.3 A 72 TRP N N 15 120.098 0.3 A 72 TRP NE1 N 15 129.26 0.3 A 73 ASP H H 1 8.454 0.02 A 73 ASP HA H 1 4.512 0.02 A 73 ASP HBx H 1 2.686 0.02 A 73 ASP C C 13 179.519 0.3 A 73 ASP CA C 13 57.733 0.3 A 73 ASP CB C 13 39.75 0.3 A 73 ASP N N 15 118.418 0.3 A 74 ASP H H 1 8.067 0.02 A 74 ASP HA H 1 4.353 0.02 A 74 ASP HBy H 1 2.588 0.02 A 74 ASP HBx H 1 2.461 0.02 A 74 ASP C C 13 178.179 0.3 A 74 ASP CA C 13 57.249 0.3 A 74 ASP CB C 13 40.785 0.3 A 74 ASP N N 15 120.716 0.3 A 75 LEU H H 1 8.121 0.02 A 75 LEU HA H 1 3.78 0.02 A 75 LEU HBy H 1 2.05 0.02 A 75 LEU HBx H 1 1.108 0.02 A 75 LEU HDx% H 1 0.793 0.02 A 75 LEU HG H 1 0.852 0.02 A 75 LEU C C 13 177.498 0.3 A 75 LEU CA C 13 58.215 0.3 A 75 LEU CB C 13 40.915 0.3 A 75 LEU CDx C 13 24.073 0.3 A 75 LEU CG C 13 26.73 0.3 A 75 LEU N N 15 122.004 0.3 A 76 ASN H H 1 8.672 0.02 A 76 ASN HA H 1 4.527 0.02 A 76 ASN HBy H 1 2.996 0.02 A 76 ASN HBx H 1 2.826 0.02 A 76 ASN C C 13 178.725 0.3 A 76 ASN CA C 13 56.126 0.3 A 76 ASN CB C 13 37.766 0.3 A 76 ASN N N 15 120.121 0.3 A 77 GLU H H 1 7.846 0.02 A 77 GLU HA H 1 4.04 0.02 A 77 GLU HBx H 1 2.095 0.02 A 77 GLU HBy H 1 2.202 0.02 A 77 GLU HGx H 1 2.143 0.02 A 77 GLU HGy H 1 2.235 0.02 A 77 GLU C C 13 178.69 0.3 A 77 GLU CA C 13 59.613 0.3 A 77 GLU CB C 13 29.306 0.3 A 77 GLU CG C 13 36.048 0.3 A 77 GLU N N 15 120.835 0.3 A 78 GLN H H 1 8.358 0.02 A 78 GLN HA H 1 4.005 0.02 A 78 GLN HBy H 1 2.12 0.02 A 78 GLN HBx H 1 1.765 0.02 A 78 GLN HGy H 1 2.616 0.02 A 78 GLN HGx H 1 1.85 0.02 A 78 GLN C C 13 178.444 0.3 A 78 GLN CA C 13 58.146 0.3 A 78 GLN CB C 13 26.986 0.3 A 78 GLN CG C 13 33.14 0.3 A 78 GLN N N 15 116.995 0.3 A 79 LEU H H 1 8.823 0.02 A 79 LEU HA H 1 3.89 0.02 A 79 LEU HBy H 1 1.778 0.02 A 79 LEU HBx H 1 1.578 0.02 A 79 LEU HDx% H 1 0.934 0.02 A 79 LEU HDy% H 1 0.816 0.02 A 79 LEU HG H 1 1.68 0.02 A 79 LEU C C 13 178.73 0.3 A 79 LEU CA C 13 59.082 0.3 A 79 LEU CB C 13 42.267 0.3 A 79 LEU CDx C 13 24.65 0.3 A 79 LEU CDy C 13 24.919 0.3 A 79 LEU CG C 13 27.476 0.3 A 79 LEU N N 15 120.091 0.3 A 80 THR H H 1 7.576 0.02 A 80 THR HA H 1 3.61 0.02 A 80 THR HB H 1 4.305 0.02 A 80 THR HG2% H 1 1.129 0.02 A 80 THR C C 13 176.916 0.3 A 80 THR CA C 13 67.091 0.3 A 80 THR CB C 13 68.519 0.3 A 80 THR CG2 C 13 21.252 0.3 A 80 THR N N 15 113.707 0.3 A 81 LEU H H 1 8.657 0.02 A 81 LEU HA H 1 3.909 0.02 A 81 LEU HBy H 1 1.768 0.02 A 81 LEU HBx H 1 1.333 0.02 A 81 LEU HDx% H 1 0.78 0.02 A 81 LEU HDy% H 1 0.799 0.02 A 81 LEU HG H 1 1.802 0.02 A 81 LEU C C 13 181.739 0.3 A 81 LEU CA C 13 58.128 0.3 A 81 LEU CB C 13 42.614 0.3 A 81 LEU CDy C 13 25.812 0.3 A 81 LEU CDx C 13 22.439 0.3 A 81 LEU CG C 13 26.257 0.3 A 81 LEU N N 15 121.017 0.3 A 82 LEU H H 1 9.385 0.02 A 82 LEU HA H 1 4.03 0.02 A 82 LEU HBy H 1 1.888 0.02 A 82 LEU HBx H 1 0.89 0.02 A 82 LEU HG H 1 2.01 0.02 A 82 LEU C C 13 181.077 0.3 A 82 LEU CA C 13 57.733 0.3 A 82 LEU CB C 13 40.836 0.3 A 82 LEU CG C 13 30.266 0.3 A 82 LEU N N 15 118.311 0.3 A 83 SER H H 1 7.786 0.02 A 83 SER HA H 1 4.008 0.02 A 83 SER HBx H 1 3.959 0.02 A 83 SER C C 13 174.337 0.3 A 83 SER CA C 13 61.767 0.3 A 83 SER CB C 13 62.934 0.3 A 83 SER N N 15 114.055 0.3 A 84 LYS H H 1 6.881 0.02 A 84 LYS HA H 1 4.428 0.02 A 84 LYS HBy H 1 2.05 0.02 A 84 LYS HBx H 1 1.657 0.02 A 84 LYS HDx H 1 1.641 0.02 A 84 LYS HEx H 1 2.935 0.02 A 84 LYS HGx H 1 1.426 0.02 A 84 LYS HGy H 1 1.626 0.02 A 84 LYS C C 13 176.658 0.3 A 84 LYS CA C 13 55.886 0.3 A 84 LYS CB C 13 33.622 0.3 A 84 LYS CD C 13 29.319 0.3 A 84 LYS CE C 13 42.165 0.3 A 84 LYS CG C 13 25.025 0.3 A 84 LYS N N 15 118.235 0.3 A 85 LYS H H 1 6.88 0.02 A 85 LYS HA H 1 4.181 0.02 A 85 LYS HBy H 1 1.789 0.02 A 85 LYS HBx H 1 1.586 0.02 A 85 LYS C C 13 177.701 0.3 A 85 LYS CA C 13 54.98 0.3 A 85 LYS CB C 13 33.836 0.3 A 85 LYS N N 15 118.235 0.3 A 86 HIS H H 1 9.445 0.02 A 86 HIS HA H 1 4.384 0.02 A 86 HIS HBy H 1 3.234 0.02 A 86 HIS HBx H 1 3.163 0.02 A 86 HIS C C 13 176.976 0.3 A 86 HIS CA C 13 57.548 0.3 A 86 HIS CB C 13 28.703 0.3 A 86 HIS N N 15 123.188 0.3 A 87 GLY H H 1 9.11 0.02 A 87 GLY HAy H 1 3.843 0.02 A 87 GLY HAx H 1 3.586 0.02 A 87 GLY C C 13 174.088 0.3 A 87 GLY CA C 13 45.252 0.3 A 87 GLY N N 15 115.322 0.3 A 88 GLN H H 1 7.25 0.02 A 88 GLN HA H 1 3.932 0.02 A 88 GLN HBx H 1 1.995 0.02 A 88 GLN C C 13 175.054 0.3 A 88 GLN CA C 13 55.558 0.3 A 88 GLN CB C 13 30.355 0.3 A 88 GLN CG C 13 36.202 0.3 A 88 GLN N N 15 117.502 0.3 A 89 LEU H H 1 9.124 0.02 A 89 LEU HA H 1 4.457 0.02 A 89 LEU HBy H 1 2.015 0.02 A 89 LEU HBx H 1 1.536 0.02 A 89 LEU HDx% H 1 0.976 0.02 A 89 LEU HDy% H 1 0.943 0.02 A 89 LEU HG H 1 1.871 0.02 A 89 LEU C C 13 177.607 0.3 A 89 LEU CA C 13 54.255 0.3 A 89 LEU CB C 13 41.163 0.3 A 89 LEU CDy C 13 25.794 0.3 A 89 LEU CDx C 13 24.004 0.3 A 89 LEU CG C 13 27.25 0.3 A 89 LEU N N 15 129.983 0.3 A 90 LYS H H 1 8.859 0.02 A 90 LYS HA H 1 3.718 0.02 A 90 LYS HBy H 1 1.831 0.02 A 90 LYS HBx H 1 1.747 0.02 A 90 LYS HDy H 1 1.642 0.02 A 90 LYS HDx H 1 1.554 0.02 A 90 LYS HEx H 1 2.903 0.02 A 90 LYS HGy H 1 1.398 0.02 A 90 LYS HGx H 1 1.283 0.02 A 90 LYS C C 13 179.008 0.3 A 90 LYS CA C 13 60.322 0.3 A 90 LYS CB C 13 32.122 0.3 A 90 LYS CD C 13 29.266 0.3 A 90 LYS CE C 13 42.159 0.3 A 90 LYS CG C 13 25.119 0.3 A 90 LYS N N 15 128.061 0.3 A 91 LEU H H 1 8.768 0.02 A 91 LEU HA H 1 4.092 0.02 A 91 LEU HBy H 1 1.738 0.02 A 91 LEU HBx H 1 1.48 0.02 A 91 LEU HDx% H 1 0.887 0.02 A 91 LEU HDy% H 1 0.939 0.02 A 91 LEU HG H 1 1.738 0.02 A 91 LEU C C 13 179.995 0.3 A 91 LEU CA C 13 57.649 0.3 A 91 LEU CB C 13 41.936 0.3 A 91 LEU CDx C 13 22.851 0.3 A 91 LEU CDy C 13 25.123 0.3 A 91 LEU CG C 13 27.966 0.3 A 91 LEU N N 15 115.881 0.3 A 92 SER H H 1 7.215 0.02 A 92 SER HA H 1 4.197 0.02 A 92 SER HBx H 1 3.858 0.02 A 92 SER C C 13 176.413 0.3 A 92 SER CA C 13 61.624 0.3 A 92 SER CB C 13 62.638 0.3 A 92 SER N N 15 116.912 0.3 A 93 ILE H H 1 7.278 0.02 A 93 ILE HA H 1 3.687 0.02 A 93 ILE HB H 1 2.05 0.02 A 93 ILE HD1% H 1 0.547 0.02 A 93 ILE HG1y H 1 1.357 0.02 A 93 ILE HG1x H 1 1.294 0.02 A 93 ILE HG2% H 1 0.77 0.02 A 93 ILE C C 13 177.987 0.3 A 93 ILE CA C 13 61.735 0.3 A 93 ILE CB C 13 35.6 0.3 A 93 ILE CD1 C 13 8.83 0.3 A 93 ILE CG1 C 13 27.825 0.3 A 93 ILE CG2 C 13 16.988 0.3 A 93 ILE N N 15 121.101 0.3 A 94 GLN H H 1 8.345 0.02 A 94 GLN HA H 1 3.84 0.02 A 94 GLN HBx H 1 2.113 0.02 A 94 GLN HE2x H 1 6.734 0.02 A 94 GLN HE2y H 1 7.384 0.02 A 94 GLN HGy H 1 2.462 0.02 A 94 GLN HGx H 1 2.296 0.02 A 94 GLN C C 13 178.097 0.3 A 94 GLN CA C 13 59.896 0.3 A 94 GLN CB C 13 28.613 0.3 A 94 GLN CG C 13 34.389 0.3 A 94 GLN N N 15 118.48 0.3 A 94 GLN NE2 N 15 110.442 0.3 A 95 TYR H H 1 7.58 0.02 A 95 TYR HA H 1 4.363 0.02 A 95 TYR HBy H 1 3.276 0.02 A 95 TYR HBx H 1 3.217 0.02 A 95 TYR C C 13 176.81 0.3 A 95 TYR CA C 13 61.222 0.3 A 95 TYR CB C 13 38.95 0.3 A 95 TYR N N 15 120.915 0.3 A 96 MET H H 1 8.503 0.02 A 96 MET HA H 1 3.482 0.02 A 96 MET HBy H 1 2.256 0.02 A 96 MET HBx H 1 2.075 0.02 A 96 MET C C 13 178.032 0.3 A 96 MET CA C 13 60.742 0.3 A 96 MET CB C 13 32.294 0.3 A 96 MET N N 15 119.88 0.3 A 97 ILE H H 1 8.43 0.02 A 97 ILE HA H 1 3.366 0.02 A 97 ILE HB H 1 1.956 0.02 A 97 ILE HD1% H 1 0.742 0.02 A 97 ILE HG1x H 1 1.783 0.02 A 97 ILE HG2% H 1 0.844 0.02 A 97 ILE C C 13 177.347 0.3 A 97 ILE CA C 13 65.948 0.3 A 97 ILE CB C 13 37.754 0.3 A 97 ILE CD1 C 13 13.941 0.3 A 97 ILE CG1 C 13 30.458 0.3 A 97 ILE CG2 C 13 18.05 0.3 A 97 ILE N N 15 117.679 0.3 A 98 GLN H H 1 7.966 0.02 A 98 GLN HA H 1 3.926 0.02 A 98 GLN HBx H 1 2.126 0.02 A 98 GLN HBy H 1 2.268 0.02 A 98 GLN HE2x H 1 6.82 0.02 A 98 GLN HE2y H 1 7.521 0.02 A 98 GLN HGy H 1 2.474 0.02 A 98 GLN HGx H 1 2.284 0.02 A 98 GLN C C 13 179.34 0.3 A 98 GLN CA C 13 59.616 0.3 A 98 GLN CB C 13 27.989 0.3 A 98 GLN CG C 13 33.832 0.3 A 98 GLN N N 15 120.429 0.3 A 98 GLN NE2 N 15 111.232 0.3 A 99 LYS H H 1 8 0.02 A 99 LYS HA H 1 4.039 0.02 A 99 LYS HBx H 1 1.787 0.02 A 99 LYS HBy H 1 1.998 0.02 A 99 LYS HDx H 1 1.5 0.02 A 99 LYS HDy H 1 1.563 0.02 A 99 LYS HEy H 1 2.779 0.02 A 99 LYS HEx H 1 2.644 0.02 A 99 LYS HGy H 1 1.148 0.02 A 99 LYS HGx H 1 1.05 0.02 A 99 LYS C C 13 179.23 0.3 A 99 LYS CA C 13 57.439 0.3 A 99 LYS CB C 13 30.314 0.3 A 99 LYS CD C 13 26.641 0.3 A 99 LYS CE C 13 41.928 0.3 A 99 LYS CG C 13 23.64 0.3 A 99 LYS N N 15 118.495 0.3 A 100 VAL H H 1 8.527 0.02 A 100 VAL HA H 1 3.497 0.02 A 100 VAL HB H 1 2.412 0.02 A 100 VAL HGx% H 1 1.026 0.02 A 100 VAL HGy% H 1 1.174 0.02 A 100 VAL C C 13 178.196 0.3 A 100 VAL CA C 13 67.995 0.3 A 100 VAL CB C 13 31.47 0.3 A 100 VAL CGx C 13 22.792 0.3 A 100 VAL CGy C 13 24.482 0.3 A 100 VAL N N 15 121.176 0.3 A 101 MET H H 1 8.511 0.02 A 101 MET HA H 1 4.164 0.02 A 101 MET HBy H 1 2.264 0.02 A 101 MET HBx H 1 2.031 0.02 A 101 MET HGx H 1 2.503 0.02 A 101 MET HGy H 1 2.744 0.02 A 101 MET C C 13 178.98 0.3 A 101 MET CA C 13 58.159 0.3 A 101 MET CB C 13 30.864 0.3 A 101 MET CG C 13 32.403 0.3 A 101 MET N N 15 116.772 0.3 A 102 GLU H H 1 7.998 0.02 A 102 GLU HA H 1 3.937 0.02 A 102 GLU HBy H 1 2.206 0.02 A 102 GLU HBx H 1 2 0.02 A 102 GLU HGx H 1 2.129 0.02 A 102 GLU HGy H 1 2.455 0.02 A 102 GLU C C 13 179.948 0.3 A 102 GLU CA C 13 59.686 0.3 A 102 GLU CB C 13 29.41 0.3 A 102 GLU CG C 13 36.176 0.3 A 102 GLU N N 15 120.325 0.3 A 103 TYR H H 1 7.975 0.02 A 103 TYR HA H 1 4.21 0.02 A 103 TYR HBy H 1 3.138 0.02 A 103 TYR HBx H 1 3.084 0.02 A 103 TYR C C 13 179.548 0.3 A 103 TYR CA C 13 62.521 0.3 A 103 TYR CB C 13 38.695 0.3 A 103 TYR N N 15 119.298 0.3 A 104 LEU H H 1 8.801 0.02 A 104 LEU HA H 1 3.899 0.02 A 104 LEU HBy H 1 1.835 0.02 A 104 LEU HBx H 1 1.509 0.02 A 104 LEU HDx% H 1 0.587 0.02 A 104 LEU HDy% H 1 0.495 0.02 A 104 LEU HG H 1 1.641 0.02 A 104 LEU C C 13 179.441 0.3 A 104 LEU CA C 13 58.343 0.3 A 104 LEU CB C 13 42.246 0.3 A 104 LEU CDy C 13 25.184 0.3 A 104 LEU CDx C 13 24.012 0.3 A 104 LEU CG C 13 26.881 0.3 A 104 LEU N N 15 121.538 0.3 A 105 LYS H H 1 7.91 0.02 A 105 LYS HA H 1 4.046 0.02 A 105 LYS HBx H 1 1.871 0.02 A 105 LYS HDx H 1 1.639 0.02 A 105 LYS HEx H 1 2.939 0.02 A 105 LYS HGy H 1 1.516 0.02 A 105 LYS HGx H 1 1.401 0.02 A 105 LYS C C 13 178.007 0.3 A 105 LYS CA C 13 58.617 0.3 A 105 LYS CB C 13 32.671 0.3 A 105 LYS CD C 13 29.149 0.3 A 105 LYS CE C 13 42.199 0.3 A 105 LYS CG C 13 25.16 0.3 A 105 LYS N N 15 117.335 0.3 A 106 SER H H 1 7.552 0.02 A 106 SER HA H 1 4.41 0.02 A 106 SER HBy H 1 3.922 0.02 A 106 SER HBx H 1 3.845 0.02 A 106 SER C C 13 174.972 0.3 A 106 SER CA C 13 59.08 0.3 A 106 SER CB C 13 64.26 0.3 A 106 SER N N 15 111.696 0.3 A 107 SER H H 1 7.622 0.02 A 107 SER HA H 1 4.538 0.02 A 107 SER HBy H 1 4.154 0.02 A 107 SER HBx H 1 3.956 0.02 A 107 SER C C 13 175.795 0.3 A 107 SER CA C 13 58.584 0.3 A 107 SER CB C 13 63.376 0.3 A 107 SER N N 15 117.47 0.3 A 108 LYS H H 1 8.66 0.02 A 108 LYS HA H 1 4.348 0.02 A 108 LYS HBy H 1 1.965 0.02 A 108 LYS HBx H 1 1.776 0.02 A 108 LYS HDx H 1 1.688 0.02 A 108 LYS HEx H 1 3.017 0.02 A 108 LYS HGy H 1 1.54 0.02 A 108 LYS HGx H 1 1.471 0.02 A 108 LYS C C 13 177.31 0.3 A 108 LYS CA C 13 56.973 0.3 A 108 LYS CB C 13 32.746 0.3 A 108 LYS CD C 13 28.764 0.3 A 108 LYS CE C 13 42.165 0.3 A 108 LYS CG C 13 24.966 0.3 A 108 LYS N N 15 125.453 0.3 A 109 SER H H 1 8.307 0.02 A 109 SER HA H 1 4.486 0.02 A 109 SER HBy H 1 3.948 0.02 A 109 SER HBx H 1 3.873 0.02 A 109 SER C C 13 173.996 0.3 A 109 SER CA C 13 58.019 0.3 A 109 SER CB C 13 63.831 0.3 A 109 SER N N 15 113.374 0.3 A 110 LEU H H 1 7.289 0.02 A 110 LEU HA H 1 4.204 0.02 A 110 LEU HBx H 1 1.355 0.02 A 110 LEU HDx% H 1 0.108 0.02 A 110 LEU HDy% H 1 0.333 0.02 A 110 LEU HG H 1 1.371 0.02 A 110 LEU C C 13 176.508 0.3 A 110 LEU CA C 13 55.296 0.3 A 110 LEU CB C 13 43.223 0.3 A 110 LEU CDy C 13 24.919 0.3 A 110 LEU CDx C 13 24.14 0.3 A 110 LEU CG C 13 26.06 0.3 A 110 LEU N N 15 123.876 0.3 A 111 ASP H H 1 8.341 0.02 A 111 ASP HA H 1 4.486 0.02 A 111 ASP HBy H 1 2.885 0.02 A 111 ASP HBx H 1 2.697 0.02 A 111 ASP C C 13 175.977 0.3 A 111 ASP CA C 13 53.632 0.3 A 111 ASP CB C 13 42.024 0.3 A 111 ASP N N 15 125.324 0.3 A 112 LEU H H 1 8.477 0.02 A 112 LEU HA H 1 3.941 0.02 A 112 LEU HBx H 1 1.586 0.02 A 112 LEU HBy H 1 1.633 0.02 A 112 LEU HDx% H 1 0.862 0.02 A 112 LEU HDy% H 1 0.887 0.02 A 112 LEU HG H 1 1.58 0.02 A 112 LEU C C 13 178.226 0.3 A 112 LEU CA C 13 58.517 0.3 A 112 LEU CB C 13 42.003 0.3 A 112 LEU CDy C 13 24.974 0.3 A 112 LEU CDx C 13 23.678 0.3 A 112 LEU CG C 13 26.766 0.3 A 112 LEU N N 15 123.482 0.3 A 113 ASN H H 1 8.377 0.02 A 113 ASN HA H 1 4.307 0.02 A 113 ASN HBx H 1 2.696 0.02 A 113 ASN HBy H 1 2.795 0.02 A 113 ASN HD2x H 1 6.877 0.02 A 113 ASN HD2y H 1 7.714 0.02 A 113 ASN C C 13 178.727 0.3 A 113 ASN CA C 13 56.605 0.3 A 113 ASN CB C 13 37.649 0.3 A 113 ASN N N 15 115.434 0.3 A 113 ASN ND2 N 15 113.041 0.3 A 114 THR H H 1 8.073 0.02 A 114 THR HA H 1 3.785 0.02 A 114 THR HB H 1 3.86 0.02 A 114 THR HG2% H 1 0.839 0.02 A 114 THR C C 13 176.387 0.3 A 114 THR CA C 13 66.664 0.3 A 114 THR CB C 13 67.401 0.3 A 114 THR CG2 C 13 22.221 0.3 A 114 THR N N 15 119.228 0.3 A 115 ARG H H 1 8.068 0.02 A 115 ARG HA H 1 3.36 0.02 A 115 ARG HBy H 1 1.848 0.02 A 115 ARG HBx H 1 1.651 0.02 A 115 ARG HDx H 1 2.97 0.02 A 115 ARG HDy H 1 3.203 0.02 A 115 ARG HE H 1 7.381 0.02 A 115 ARG HGx H 1 1.318 0.02 A 115 ARG HGy H 1 1.394 0.02 A 115 ARG HH2x H 1 6.67 0.02 A 115 ARG C C 13 177.612 0.3 A 115 ARG CA C 13 60.967 0.3 A 115 ARG CB C 13 30.389 0.3 A 115 ARG CD C 13 43.334 0.3 A 115 ARG CG C 13 27.651 0.3 A 115 ARG N N 15 122.976 0.3 A 115 ARG NE N 15 86.58 0.3 A 116 ILE H H 1 8.414 0.02 A 116 ILE HA H 1 3.572 0.02 A 116 ILE HB H 1 1.872 0.02 A 116 ILE HD1% H 1 0.784 0.02 A 116 ILE HG1x H 1 1.147 0.02 A 116 ILE HG1y H 1 1.66 0.02 A 116 ILE HG2% H 1 0.862 0.02 A 116 ILE C C 13 177.914 0.3 A 116 ILE CA C 13 64.983 0.3 A 116 ILE CB C 13 37.707 0.3 A 116 ILE CD1 C 13 12.811 0.3 A 116 ILE CG1 C 13 29.145 0.3 A 116 ILE CG2 C 13 17.305 0.3 A 116 ILE N N 15 117.133 0.3 A 117 SER H H 1 7.678 0.02 A 117 SER HA H 1 4.248 0.02 A 117 SER HBx H 1 3.97 0.02 A 117 SER HBy H 1 3.996 0.02 A 117 SER C C 13 176.976 0.3 A 117 SER CA C 13 61.812 0.3 A 117 SER CB C 13 62.782 0.3 A 117 SER N N 15 116.011 0.3 A 118 VAL H H 1 7.824 0.02 A 118 VAL HA H 1 4.398 0.02 A 118 VAL HB H 1 2.034 0.02 A 118 VAL HGx% H 1 0.953 0.02 A 118 VAL HGy% H 1 1.095 0.02 A 118 VAL C C 13 178.134 0.3 A 118 VAL CA C 13 65.156 0.3 A 118 VAL CB C 13 32.091 0.3 A 118 VAL CGy C 13 22.127 0.3 A 118 VAL CGx C 13 21.615 0.3 A 118 VAL N N 15 126.141 0.3 A 119 ILE H H 1 8 0.02 A 119 ILE HA H 1 3.5 0.02 A 119 ILE HB H 1 1.936 0.02 A 119 ILE HD1% H 1 0.672 0.02 A 119 ILE HG1x H 1 1.073 0.02 A 119 ILE HG1y H 1 1.551 0.02 A 119 ILE HG2% H 1 0.835 0.02 A 119 ILE C C 13 178.925 0.3 A 119 ILE CA C 13 65.147 0.3 A 119 ILE CB C 13 37.14 0.3 A 119 ILE CD1 C 13 12.312 0.3 A 119 ILE CG1 C 13 29.159 0.3 A 119 ILE CG2 C 13 17.271 0.3 A 119 ILE N N 15 120.623 0.3 A 120 GLU H H 1 8.781 0.02 A 120 GLU HA H 1 4.176 0.02 A 120 GLU HBy H 1 2.061 0.02 A 120 GLU HBx H 1 1.969 0.02 A 120 GLU HGx H 1 2.296 0.02 A 120 GLU C C 13 178.776 0.3 A 120 GLU CA C 13 59.039 0.3 A 120 GLU CB C 13 29.051 0.3 A 120 GLU CG C 13 36.159 0.3 A 120 GLU N N 15 119.861 0.3 A 121 THR H H 1 7.765 0.02 A 121 THR HA H 1 3.839 0.02 A 121 THR HB H 1 4.441 0.02 A 121 THR HG2% H 1 1.169 0.02 A 121 THR C C 13 176.263 0.3 A 121 THR CA C 13 67.699 0.3 A 121 THR CB C 13 68.251 0.3 A 121 THR CG2 C 13 21.751 0.3 A 121 THR N N 15 118.498 0.3 A 122 ILE H H 1 8.291 0.02 A 122 ILE HA H 1 3.351 0.02 A 122 ILE HB H 1 1.971 0.02 A 122 ILE HD1% H 1 0.883 0.02 A 122 ILE HG1x H 1 1.916 0.02 A 122 ILE HG2% H 1 0.815 0.02 A 122 ILE C C 13 178.558 0.3 A 122 ILE CA C 13 66.459 0.3 A 122 ILE CB C 13 38.025 0.3 A 122 ILE CD1 C 13 14.322 0.3 A 122 ILE CG1 C 13 30.182 0.3 A 122 ILE CG2 C 13 17.807 0.3 A 122 ILE N N 15 121.072 0.3 A 123 ARG H H 1 8.295 0.02 A 123 ARG HA H 1 3.827 0.02 A 123 ARG HBy H 1 2.032 0.02 A 123 ARG HBx H 1 1.847 0.02 A 123 ARG HDy H 1 3.181 0.02 A 123 ARG HDx H 1 3.032 0.02 A 123 ARG HE H 1 7.7 0.02 A 123 ARG HGy H 1 1.618 0.02 A 123 ARG HGx H 1 1.47 0.02 A 123 ARG HH2x H 1 6.735 0.02 A 123 ARG C C 13 178.267 0.3 A 123 ARG CA C 13 60.377 0.3 A 123 ARG CB C 13 29.731 0.3 A 123 ARG CD C 13 42.937 0.3 A 123 ARG CG C 13 27.338 0.3 A 123 ARG N N 15 122.266 0.3 A 123 ARG NE N 15 86.22 0.3 A 124 VAL H H 1 7.98 0.02 A 124 VAL HA H 1 3.647 0.02 A 124 VAL HB H 1 2.225 0.02 A 124 VAL HGx% H 1 0.931 0.02 A 124 VAL HGy% H 1 1.048 0.02 A 124 VAL C C 13 179.952 0.3 A 124 VAL CA C 13 66.497 0.3 A 124 VAL CB C 13 31.921 0.3 A 124 VAL CGx C 13 21.242 0.3 A 124 VAL CGy C 13 22.624 0.3 A 124 VAL N N 15 118.405 0.3 A 125 VAL H H 1 8.332 0.02 A 125 VAL HA H 1 3.817 0.02 A 125 VAL HB H 1 2.184 0.02 A 125 VAL HGx% H 1 0.886 0.02 A 125 VAL HGy% H 1 1.001 0.02 A 125 VAL C C 13 177.933 0.3 A 125 VAL CA C 13 65.931 0.3 A 125 VAL CB C 13 31.861 0.3 A 125 VAL CGx C 13 21.854 0.3 A 125 VAL CGy C 13 22.441 0.3 A 125 VAL N N 15 119.201 0.3 A 126 THR H H 1 7.992 0.02 A 126 THR HA H 1 4.047 0.02 A 126 THR HB H 1 4.335 0.02 A 126 THR HG2% H 1 1.146 0.02 A 126 THR C C 13 175.404 0.3 A 126 THR CA C 13 63.362 0.3 A 126 THR CB C 13 69.831 0.3 A 126 THR CG2 C 13 21.942 0.3 A 126 THR N N 15 109.114 0.3 A 127 GLU H H 1 7.9 0.02 A 127 GLU HA H 1 4.082 0.02 A 127 GLU HBx H 1 2.087 0.02 A 127 GLU HGy H 1 2.329 0.02 A 127 GLU HGx H 1 2.22 0.02 A 127 GLU C C 13 176.38 0.3 A 127 GLU CA C 13 57.541 0.3 A 127 GLU CB C 13 28.768 0.3 A 127 GLU CG C 13 36.625 0.3 A 127 GLU N N 15 120.753 0.3 A 128 ASN H H 1 8.251 0.02 A 128 ASN HA H 1 4.474 0.02 A 128 ASN HBy H 1 2.959 0.02 A 128 ASN HBx H 1 2.863 0.02 A 128 ASN HD2y H 1 7.574 0.02 A 128 ASN HD2x H 1 6.849 0.02 A 128 ASN C C 13 175.492 0.3 A 128 ASN CA C 13 54.216 0.3 A 128 ASN CB C 13 38.844 0.3 A 128 ASN N N 15 116.329 0.3 A 128 ASN ND2 N 15 112.418 0.3 A 129 LYS H H 1 8.12 0.02 A 129 LYS HA H 1 4.245 0.02 A 129 LYS HBx H 1 1.774 0.02 A 129 LYS HDx H 1 1.642 0.02 A 129 LYS HEx H 1 2.956 0.02 A 129 LYS HGx H 1 1.403 0.02 A 129 LYS C C 13 176.67 0.3 A 129 LYS CA C 13 57.246 0.3 A 129 LYS CB C 13 33.017 0.3 A 129 LYS CD C 13 29.158 0.3 A 129 LYS CE C 13 42.155 0.3 A 129 LYS CG C 13 24.796 0.3 A 129 LYS N N 15 120.172 0.3 A 130 ILE H H 1 7.844 0.02 A 130 ILE HA H 1 4.08 0.02 A 130 ILE HB H 1 1.72 0.02 A 130 ILE HD1% H 1 0.73 0.02 A 130 ILE HG1y H 1 1.237 0.02 A 130 ILE HG1x H 1 1.014 0.02 A 130 ILE HG2% H 1 0.689 0.02 A 130 ILE C C 13 175.414 0.3 A 130 ILE CA C 13 61.409 0.3 A 130 ILE CB C 13 38.642 0.3 A 130 ILE CD1 C 13 12.958 0.3 A 130 ILE CG1 C 13 27.222 0.3 A 130 ILE CG2 C 13 17.385 0.3 A 130 ILE N N 15 118.38 0.3 A 131 PHE H H 1 8.149 0.02 A 131 PHE HA H 1 4.572 0.02 A 131 PHE HBy H 1 3.115 0.02 A 131 PHE HBx H 1 2.945 0.02 A 131 PHE C C 13 175.258 0.3 A 131 PHE CA C 13 57.752 0.3 A 131 PHE CB C 13 39.546 0.3 A 131 PHE N N 15 122.722 0.3 A 132 VAL H H 1 7.761 0.02 A 132 VAL HA H 1 4.023 0.02 A 132 VAL HB H 1 1.97 0.02 A 132 VAL HGx% H 1 0.858 0.02 A 132 VAL C C 13 175.258 0.3 A 132 VAL CA C 13 62.129 0.3 A 132 VAL CB C 13 33.173 0.3 A 132 VAL CGx C 13 21.235 0.3 A 132 VAL N N 15 121.014 0.3 A 133 GLU H H 1 8.318 0.02 A 133 GLU HA H 1 4.259 0.02 A 133 GLU HBy H 1 1.984 0.02 A 133 GLU HBx H 1 1.885 0.02 A 133 GLU HGx H 1 2.211 0.02 A 133 GLU HGy H 1 2.248 0.02 A 133 GLU C C 13 176.08 0.3 A 133 GLU CA C 13 56.352 0.3 A 133 GLU CB C 13 30.57 0.3 A 133 GLU CG C 13 36.244 0.3 A 133 GLU N N 15 124.412 0.3 A 134 VAL H H 1 8.066 0.02 A 134 VAL HA H 1 4.061 0.02 A 134 VAL HB H 1 2.023 0.02 A 134 VAL HGx% H 1 0.881 0.02 A 134 VAL C C 13 175.727 0.3 A 134 VAL CA C 13 62.125 0.3 A 134 VAL CB C 13 32.993 0.3 A 134 VAL CGx C 13 21.057 0.3 A 134 VAL N N 15 120.725 0.3 A 135 GLU H H 1 8.42 0.02 A 135 GLU HA H 1 4.252 0.02 A 135 GLU HBy H 1 2.014 0.02 A 135 GLU HBx H 1 1.895 0.02 A 135 GLU HGy H 1 2.255 0.02 A 135 GLU HGx H 1 2.212 0.02 A 135 GLU C C 13 175.258 0.3 A 135 GLU CA C 13 56.74 0.3 A 135 GLU CB C 13 30.42 0.3 A 135 GLU CG C 13 36.244 0.3 A 135 GLU N N 15 125.105 0.3 A 136 ARG H H 1 7.925 0.02 A 136 ARG HA H 1 4.133 0.02 A 136 ARG HBy H 1 1.797 0.02 A 136 ARG HBx H 1 1.669 0.02 A 136 ARG HDx H 1 3.139 0.02 A 136 ARG HE H 1 7.176 0.02 A 136 ARG HGx H 1 1.549 0.02 A 136 ARG CA C 13 57.419 0.3 A 136 ARG CB C 13 31.664 0.3 A 136 ARG CD C 13 43.557 0.3 A 136 ARG CG C 13 27.141 0.3 A 136 ARG N N 15 127.302 0.3 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 136 ARG HA A 136 ARG HDx 1.0 . 5.5 2 1 A 136 ARG HDy A 136 ARG HA 1.0 . 5.5 3 2 A 136 ARG HBy A 136 ARG HDx 1.0 . 5.5 4 2 A 136 ARG HBx A 136 ARG HDx 1.0 . 5.5 5 2 A 136 ARG HDy A 136 ARG HBy 1.0 . 5.5 6 2 A 136 ARG HDy A 136 ARG HBx 1.0 . 5.5 7 3 A 136 ARG H A 136 ARG HGx 1.0 . 5.5 8 3 A 136 ARG H A 136 ARG HGy 1.0 . 5.5 9 4 A 136 ARG HA A 136 ARG HGx 1.0 . 4.5 10 4 A 136 ARG HA A 136 ARG HGy 1.0 . 4.5 11 5 A 136 ARG HDx A 136 ARG HGx 1.0 . 4.5 12 5 A 136 ARG HGy A 136 ARG HDx 1.0 . 4.5 13 5 A 136 ARG HDy A 136 ARG HGy 1.0 . 4.5 14 5 A 136 ARG HDy A 136 ARG HGx 1.0 . 4.5 15 6 A 136 ARG HBy A 136 ARG HGx 1.0 . 3.5 16 6 A 136 ARG HBx A 136 ARG HGx 1.0 . 3.5 17 6 A 136 ARG HGy A 136 ARG HBy 1.0 . 3.5 18 6 A 136 ARG HBx A 136 ARG HGy 1.0 . 3.5 19 7 A 136 ARG HBy A 136 ARG HDx 1.0 . 5.5 20 7 A 136 ARG HBx A 136 ARG HDx 1.0 . 5.5 21 7 A 136 ARG HDy A 136 ARG HBy 1.0 . 5.5 22 7 A 136 ARG HDy A 136 ARG HBx 1.0 . 5.5 23 8 A 136 ARG HDx A 136 ARG HGx 1.0 . 2.8 24 8 A 136 ARG HGy A 136 ARG HDx 1.0 . 2.8 25 8 A 136 ARG HDy A 136 ARG HGy 1.0 . 2.8 26 8 A 136 ARG HDy A 136 ARG HGx 1.0 . 2.8 27 9 A 134 VAL H A 133 GLU HA 1.0 . 2.8 28 10 A 136 ARG H A 135 GLU HA 1.0 . 2.8 29 11 A 133 GLU HA A 133 GLU HBy 1.0 . 2.8 30 11 A 133 GLU HA A 133 GLU HBx 1.0 . 2.8 31 12 A 129 LYS HA A 129 LYS HDx 1.0 . 2.8 32 12 A 129 LYS HDy A 129 LYS HA 1.0 . 2.8 33 13 A 135 GLU H A 135 GLU HBy 1.0 . 4.5 34 13 A 135 GLU H A 135 GLU HBx 1.0 . 4.5 35 14 A 135 GLU H A 134 VAL HA 1.0 . 2.8 36 15 A 51 ASP H A 50 SER HBx 1.0 . 4.5 37 15 A 51 ASP H A 50 SER HBy 1.0 . 4.5 38 16 A 134 VAL HA A 134 VAL HB 1.0 . 2.8 39 17 A 134 VAL HA A 134 VAL HGx% 1.0 . 2.8 40 18 A 134 VAL H A 134 VAL HB 1.0 . 4.5 41 19 A 135 GLU H A 134 VAL HB 1.0 . 5.5 42 20 A 134 VAL HA A 134 VAL HB 1.0 . 4.5 43 21 A 134 VAL HB A 134 VAL HGx% 1.0 . 2.8 44 22 A 135 GLU H A 134 VAL HGx% 1.0 . 4.5 45 23 A 133 GLU HA A 133 GLU H 1.0 . 2.8 46 24 A 133 GLU H A 133 GLU HBy 1.0 . 4.5 47 24 A 133 GLU HBx A 133 GLU H 1.0 . 4.5 48 25 A 133 GLU H A 132 VAL HA 1.0 . 3.5 49 26 A 132 VAL H A 132 VAL HB 1.0 . 3.5 50 27 A 132 VAL HA A 132 VAL HB 1.0 . 4.5 51 28 A 132 VAL HB A 133 GLU HGx 1.0 . 5.5 52 28 A 132 VAL HB A 133 GLU HGy 1.0 . 5.5 53 29 A 108 LYS HBx A 108 LYS HGy 1.0 . 2.8 54 29 A 108 LYS HBy A 108 LYS HGy 1.0 . 2.8 55 29 A 108 LYS HGx A 108 LYS HBy 1.0 . 2.8 56 29 A 108 LYS HGx A 108 LYS HBx 1.0 . 2.8 57 30 A 133 GLU H A 132 VAL HGx% 1.0 . 3.5 58 31 A 132 VAL H A 131 PHE HA 1.0 . 4.5 59 32 A 131 PHE HA A 131 PHE HBy 1.0 . 4.5 60 32 A 131 PHE HA A 131 PHE HBx 1.0 . 4.5 61 33 A 131 PHE H A 131 PHE HBy 1.0 . 4.5 62 33 A 131 PHE HBx A 131 PHE H 1.0 . 4.5 63 34 A 131 PHE HA A 131 PHE HBy 1.0 . 4.5 64 34 A 131 PHE HA A 131 PHE HBx 1.0 . 4.5 65 35 A 132 VAL HGx% A 131 PHE HBy 1.0 . 5.5 66 35 A 132 VAL HGx% A 131 PHE HBx 1.0 . 5.5 67 36 A 131 PHE H A 130 ILE HA 1.0 . 2.8 68 37 A 130 ILE HA A 130 ILE H 1.0 . 3.5 69 38 A 130 ILE HA A 130 ILE HG1y 1.0 . 4.5 70 38 A 130 ILE HA A 130 ILE HG1x 1.0 . 4.5 71 39 A 131 PHE H A 130 ILE HB 1.0 . 5.5 72 40 A 130 ILE H A 130 ILE HB 1.0 . 4.5 73 41 A 130 ILE HA A 130 ILE HB 1.0 . 3.5 74 42 A 130 ILE HB A 130 ILE HG1y 1.0 . 4.5 75 42 A 130 ILE HG1x A 130 ILE HB 1.0 . 4.5 76 43 A 132 VAL HGx% A 130 ILE HB 1.0 . 5.5 77 44 A 130 ILE H A 130 ILE HG1y 1.0 . 5.5 78 44 A 130 ILE H A 130 ILE HG1x 1.0 . 5.5 79 45 A 130 ILE HB A 130 ILE HG1y 1.0 . 3.5 80 45 A 130 ILE HG1x A 130 ILE HB 1.0 . 3.5 81 46 A 132 VAL H A 131 PHE HBy 1.0 . 5.5 82 46 A 132 VAL H A 131 PHE HBx 1.0 . 5.5 83 47 A 129 LYS HA A 129 LYS H 1.0 . 4.5 84 48 A 129 LYS HA A 129 LYS HBx 1.0 . 2.8 85 48 A 129 LYS HA A 129 LYS HBy 1.0 . 2.8 86 49 A 129 LYS HA A 129 LYS HGx 1.0 . 2.8 87 49 A 129 LYS HA A 129 LYS HGy 1.0 . 2.8 88 50 A 135 GLU HA A 134 VAL HGx% 1.0 . 4.5 89 51 A 129 LYS HA A 129 LYS HEx 1.0 . 5.5 90 51 A 129 LYS HA A 129 LYS HEy 1.0 . 5.5 91 52 A 129 LYS H A 129 LYS HBx 1.0 . 4.5 92 52 A 129 LYS H A 129 LYS HBy 1.0 . 4.5 93 53 A 130 ILE H A 129 LYS HBx 1.0 . 5.5 94 53 A 130 ILE H A 129 LYS HBy 1.0 . 5.5 95 54 A 129 LYS HA A 129 LYS HBx 1.0 . 3.5 96 54 A 129 LYS HA A 129 LYS HBy 1.0 . 3.5 97 55 A 129 LYS HBx A 129 LYS HEx 1.0 . 5.5 98 55 A 129 LYS HBy A 129 LYS HEx 1.0 . 5.5 99 55 A 129 LYS HEy A 129 LYS HBx 1.0 . 5.5 100 55 A 129 LYS HBy A 129 LYS HEy 1.0 . 5.5 101 56 A 129 LYS HBx A 129 LYS HGx 1.0 . 2.8 102 56 A 129 LYS HBy A 129 LYS HGx 1.0 . 2.8 103 56 A 129 LYS HGy A 129 LYS HBx 1.0 . 2.8 104 56 A 129 LYS HBy A 129 LYS HGy 1.0 . 2.8 105 57 A 128 ASN H A 128 ASN HA 1.0 . 4.5 106 58 A 20 GLU H A 19 GLU HGx 1.0 . 5.5 107 58 A 20 GLU H A 19 GLU HGy 1.0 . 5.5 108 59 A 133 GLU H A 133 GLU HGx 1.0 . 5.5 109 59 A 133 GLU H A 133 GLU HGy 1.0 . 5.5 110 60 A 19 GLU H A 19 GLU HGx 1.0 . 4.5 111 60 A 19 GLU HGy A 19 GLU H 1.0 . 4.5 112 61 A 19 GLU HA A 19 GLU HGx 1.0 . 3.5 113 61 A 19 GLU HGy A 19 GLU HA 1.0 . 3.5 114 62 A 90 LYS H A 90 LYS HGy 1.0 . 5.5 115 62 A 90 LYS H A 90 LYS HGx 1.0 . 5.5 116 63 A 129 LYS HA A 129 LYS HGx 1.0 . 4.5 117 63 A 129 LYS HA A 129 LYS HGy 1.0 . 4.5 118 64 A 18 LYS HA A 18 LYS HGx 1.0 . 2.8 119 64 A 18 LYS HA A 18 LYS HGy 1.0 . 2.8 120 65 A 90 LYS HA A 90 LYS HGy 1.0 . 4.5 121 65 A 90 LYS HGx A 90 LYS HA 1.0 . 4.5 122 66 A 129 LYS HA A 129 LYS HDx 1.0 . 4.5 123 66 A 129 LYS HDy A 129 LYS HA 1.0 . 4.5 124 67 A 115 ARG HH2% A 105 LYS HEx 1.0 . 5.5 125 67 A 115 ARG HH2% A 105 LYS HEy 1.0 . 5.5 126 68 A 8 LYS HA A 8 LYS HEx 1.0 . 5.5 127 68 A 8 LYS HEy A 8 LYS HA 1.0 . 5.5 128 69 A 101 MET HGx A 105 LYS HEx 1.0 . 3.5 129 69 A 101 MET HGy A 105 LYS HEx 1.0 . 3.5 130 69 A 105 LYS HEy A 101 MET HGx 1.0 . 3.5 131 69 A 105 LYS HEy A 101 MET HGy 1.0 . 3.5 132 70 A 128 ASN H A 128 ASN HBy 1.0 . 5.5 133 70 A 128 ASN H A 128 ASN HBx 1.0 . 5.5 134 71 A 129 LYS H A 128 ASN HBy 1.0 . 5.5 135 71 A 129 LYS H A 128 ASN HBx 1.0 . 5.5 136 72 A 128 ASN HBy A 128 ASN HD2x 1.0 . 5.5 137 72 A 128 ASN HD2y A 128 ASN HBy 1.0 . 5.5 138 72 A 128 ASN HBx A 128 ASN HD2y 1.0 . 5.5 139 72 A 128 ASN HBx A 128 ASN HD2x 1.0 . 5.5 140 73 A 128 ASN HA A 128 ASN HBy 1.0 . 4.5 141 73 A 128 ASN HA A 128 ASN HBx 1.0 . 4.5 142 74 A 125 VAL HGx% A 128 ASN HBy 1.0 . 5.5 143 74 A 128 ASN HBx A 125 VAL HGx% 1.0 . 5.5 144 75 A 91 LEU H A 91 LEU HA 1.0 . 5.5 145 76 A 128 ASN H A 127 GLU HA 1.0 . 4.5 146 77 A 127 GLU HA A 127 GLU H 1.0 . 3.5 147 78 A 127 GLU H A 127 GLU HBx 1.0 . 2.8 148 78 A 127 GLU H A 127 GLU HBy 1.0 . 2.8 149 79 A 29 GLN H A 29 GLN HBx 1.0 . 4.5 150 79 A 29 GLN H A 29 GLN HBy 1.0 . 4.5 151 80 A 29 GLN H A 29 GLN HBx 1.0 . 4.5 152 80 A 29 GLN H A 29 GLN HBy 1.0 . 4.5 153 81 A 124 VAL HA A 127 GLU HBx 1.0 . 5.5 154 81 A 127 GLU HBy A 124 VAL HA 1.0 . 5.5 155 82 A 127 GLU H A 127 GLU HGy 1.0 . 4.5 156 82 A 127 GLU H A 127 GLU HGx 1.0 . 4.5 157 83 A 127 GLU HA A 127 GLU HGy 1.0 . 4.5 158 83 A 127 GLU HA A 127 GLU HGx 1.0 . 4.5 159 84 A 127 GLU HBx A 127 GLU HGy 1.0 . 2.8 160 84 A 127 GLU HBy A 127 GLU HGy 1.0 . 2.8 161 84 A 127 GLU HGx A 127 GLU HBx 1.0 . 2.8 162 84 A 127 GLU HBy A 127 GLU HGx 1.0 . 2.8 163 85 A 126 THR HB A 126 THR HA 1.0 . 5.5 164 86 A 126 THR HB A 126 THR H 1.0 . 5.5 165 87 A 127 GLU H A 126 THR HB 1.0 . 5.5 166 88 A 125 VAL HGx% A 125 VAL HA 1.0 . 2.8 167 89 A 125 VAL HA A 125 VAL HGy% 1.0 . 2.8 168 90 A 125 VAL HA A 125 VAL HB 1.0 . 4.5 169 91 A 125 VAL H A 124 VAL HB 1.0 . 4.5 170 92 A 125 VAL HB A 125 VAL H 1.0 . 4.5 171 93 A 124 VAL HB A 124 VAL H 1.0 . 3.5 172 94 A 125 VAL HA A 125 VAL HB 1.0 . 3.5 173 95 A 124 VAL HB A 121 THR HA 1.0 . 4.5 174 96 A 124 VAL HA A 124 VAL HB 1.0 . 4.5 175 97 A 125 VAL HB A 122 ILE HA 1.0 . 4.5 176 98 A 125 VAL HGy% A 125 VAL HB 1.0 . 2.8 177 99 A 125 VAL HGx% A 125 VAL HB 1.0 . 2.8 178 100 A 125 VAL HGx% A 126 THR H 1.0 . 5.5 179 101 A 125 VAL HGx% A 125 VAL HB 1.0 . 3.5 180 102 A 125 VAL HGy% A 125 VAL H 1.0 . 2.8 181 103 A 125 VAL HA A 125 VAL HGy% 1.0 . 2.8 182 104 A 125 VAL HGy% A 125 VAL HB 1.0 . 2.8 183 105 A 124 VAL HA A 123 ARG HBy 1.0 . 4.5 184 105 A 124 VAL HA A 123 ARG HBx 1.0 . 4.5 185 106 A 124 VAL HA A 127 GLU HBx 1.0 . 5.5 186 106 A 127 GLU HBy A 124 VAL HA 1.0 . 5.5 187 107 A 124 VAL HA A 124 VAL HGy% 1.0 . 2.8 188 108 A 124 VAL HA A 124 VAL HGx% 1.0 . 2.8 189 109 A 124 VAL HB A 124 VAL HGy% 1.0 . 2.8 190 110 A 124 VAL HB A 124 VAL HGx% 1.0 . 2.8 191 111 A 125 VAL H A 124 VAL HGx% 1.0 . 5.5 192 112 A 124 VAL H A 124 VAL HGx% 1.0 . 4.5 193 113 A 124 VAL HA A 124 VAL HGx% 1.0 . 2.8 194 114 A 121 THR HA A 124 VAL HGx% 1.0 . 3.5 195 115 A 124 VAL H A 124 VAL HGy% 1.0 . 2.8 196 116 A 121 THR HA A 124 VAL HGy% 1.0 . 3.5 197 117 A 124 VAL HA A 124 VAL HGy% 1.0 . 2.8 198 118 A 123 ARG H A 123 ARG HA 1.0 . 4.5 199 119 A 123 ARG H A 123 ARG HBy 1.0 . 4.5 200 119 A 123 ARG HBx A 123 ARG H 1.0 . 4.5 201 120 A 124 VAL H A 123 ARG HBy 1.0 . 3.5 202 120 A 124 VAL H A 123 ARG HBx 1.0 . 3.5 203 121 A 123 ARG HA A 123 ARG HBy 1.0 . 2.8 204 121 A 123 ARG HBx A 123 ARG HA 1.0 . 2.8 205 122 A 123 ARG HA A 123 ARG HGy 1.0 . 2.8 206 122 A 123 ARG HA A 123 ARG HGx 1.0 . 2.8 207 123 A 123 ARG HDx A 123 ARG HGy 1.0 . 4.5 208 123 A 123 ARG HGx A 123 ARG HDy 1.0 . 4.5 209 123 A 123 ARG HGx A 123 ARG HDx 1.0 . 4.5 210 123 A 123 ARG HDy A 123 ARG HGy 1.0 . 4.5 211 124 A 104 LEU HG A 104 LEU HBy 1.0 . 2.8 212 124 A 104 LEU HBx A 104 LEU HG 1.0 . 2.8 213 125 A 123 ARG HE A 123 ARG HDy 1.0 . 5.5 214 125 A 123 ARG HDx A 123 ARG HE 1.0 . 5.5 215 126 A 123 ARG HH2% A 123 ARG HDy 1.0 . 4.5 216 126 A 123 ARG HDx A 123 ARG HH2% 1.0 . 4.5 217 127 A 120 GLU HBx A 123 ARG HDy 1.0 . 4.5 218 127 A 120 GLU HBy A 123 ARG HDy 1.0 . 4.5 219 127 A 123 ARG HDx A 120 GLU HBy 1.0 . 4.5 220 127 A 123 ARG HDx A 120 GLU HBx 1.0 . 4.5 221 128 A 123 ARG HDy A 123 ARG HGy 1.0 . 2.8 222 128 A 123 ARG HDx A 123 ARG HGy 1.0 . 2.8 223 128 A 123 ARG HGx A 123 ARG HDy 1.0 . 2.8 224 128 A 123 ARG HGx A 123 ARG HDx 1.0 . 2.8 225 129 A 25 ASP H A 22 PRO HA 1.0 . 5.5 226 130 A 22 PRO HA A 25 ASP HBy 1.0 . 4.5 227 130 A 22 PRO HA A 25 ASP HBx 1.0 . 4.5 228 131 A 22 PRO HA A 22 PRO HBy 1.0 . 3.5 229 131 A 22 PRO HA A 22 PRO HBx 1.0 . 3.5 230 132 A 97 ILE H A 97 ILE HB 1.0 . 4.5 231 133 A 122 ILE H A 122 ILE HB 1.0 . 3.5 232 134 A 119 ILE H A 119 ILE HB 1.0 . 4.5 233 135 A 97 ILE HB A 94 GLN HA 1.0 . 3.5 234 136 A 122 ILE HB A 119 ILE HA 1.0 . 4.5 235 137 A 125 VAL HB A 122 ILE HA 1.0 . 4.5 236 138 A 122 ILE HA A 122 ILE HB 1.0 . 3.5 237 139 A 125 VAL HGy% A 122 ILE HA 1.0 . 4.5 238 140 A 121 THR HA A 121 THR H 1.0 . 5.5 239 141 A 124 VAL HB A 121 THR HA 1.0 . 4.5 240 142 A 121 THR HA A 124 VAL HGy% 1.0 . 4.5 241 143 A 101 MET HA A 105 LYS HDx 1.0 . 4.5 242 143 A 101 MET HA A 105 LYS HDy 1.0 . 4.5 243 144 A 120 GLU H A 120 GLU HBy 1.0 . 4.5 244 144 A 120 GLU HBx A 120 GLU H 1.0 . 4.5 245 145 A 120 GLU HA A 120 GLU HBy 1.0 . 3.5 246 145 A 120 GLU HBx A 120 GLU HA 1.0 . 3.5 247 146 A 120 GLU H A 120 GLU HGx 1.0 . 4.5 248 146 A 120 GLU H A 120 GLU HGy 1.0 . 4.5 249 147 A 124 VAL HGy% A 120 GLU HGx 1.0 . 4.5 250 147 A 124 VAL HGy% A 120 GLU HGy 1.0 . 4.5 251 148 A 119 ILE H A 119 ILE HA 1.0 . 5.5 252 149 A 119 ILE HA A 119 ILE HG1x 1.0 . 5.5 253 149 A 119 ILE HA A 119 ILE HG1y 1.0 . 5.5 254 150 A 119 ILE HB A 120 GLU H 1.0 . 5.5 255 151 A 119 ILE H A 119 ILE HB 1.0 . 3.5 256 152 A 119 ILE HB A 119 ILE HG1x 1.0 . 2.8 257 152 A 119 ILE HB A 119 ILE HG1y 1.0 . 2.8 258 153 A 118 VAL H A 118 VAL HA 1.0 . 5.5 259 154 A 118 VAL HA A 118 VAL HB 1.0 . 4.5 260 155 A 118 VAL HA A 118 VAL HGy% 1.0 . 2.8 261 156 A 118 VAL HA A 118 VAL HGx% 1.0 . 3.5 262 157 A 119 ILE H A 118 VAL HB 1.0 . 5.5 263 158 A 118 VAL H A 118 VAL HB 1.0 . 4.5 264 159 A 118 VAL HB A 118 VAL HGy% 1.0 . 2.8 265 160 A 118 VAL HB A 118 VAL HGx% 1.0 . 2.8 266 161 A 118 VAL H A 118 VAL HGx% 1.0 . 5.5 267 162 A 119 ILE H A 118 VAL HGx% 1.0 . 5.5 268 163 A 118 VAL HA A 118 VAL HGx% 1.0 . 4.5 269 164 A 118 VAL HB A 118 VAL HGx% 1.0 . 2.8 270 165 A 119 ILE H A 118 VAL HGy% 1.0 . 5.5 271 166 A 118 VAL H A 118 VAL HGy% 1.0 . 3.5 272 167 A 115 ARG HE A 118 VAL HGy% 1.0 . 3.5 273 168 A 118 VAL HA A 118 VAL HGy% 1.0 . 3.5 274 169 A 118 VAL HGy% A 76 ASN HBy 1.0 . 5.5 275 169 A 76 ASN HBx A 118 VAL HGy% 1.0 . 5.5 276 170 A 118 VAL HB A 118 VAL HGy% 1.0 . 2.8 277 171 A 117 SER H A 117 SER HA 1.0 . 4.5 278 172 A 54 SER HA A 57 GLU HBx 1.0 . 4.5 279 172 A 57 GLU HBy A 54 SER HA 1.0 . 4.5 280 173 A 117 SER HA A 120 GLU HBy 1.0 . 4.5 281 173 A 120 GLU HBx A 117 SER HA 1.0 . 4.5 282 174 A 116 ILE HA A 116 ILE H 1.0 . 5.5 283 175 A 119 ILE HB A 116 ILE HA 1.0 . 3.5 284 176 A 116 ILE HA A 116 ILE HG1x 1.0 . 4.5 285 176 A 116 ILE HA A 116 ILE HG1y 1.0 . 4.5 286 177 A 116 ILE HB A 116 ILE H 1.0 . 3.5 287 178 A 116 ILE HB A 117 SER H 1.0 . 5.5 288 179 A 116 ILE HB A 113 ASN HA 1.0 . 5.5 289 180 A 116 ILE HA A 116 ILE HB 1.0 . 5.5 290 181 A 116 ILE HB A 116 ILE HG1x 1.0 . 4.5 291 181 A 116 ILE HB A 116 ILE HG1y 1.0 . 4.5 292 182 A 116 ILE HA A 116 ILE HG1x 1.0 . 4.5 293 182 A 116 ILE HA A 116 ILE HG1y 1.0 . 4.5 294 183 A 115 ARG H A 115 ARG HA 1.0 . 5.5 295 184 A 115 ARG HA A 115 ARG HBy 1.0 . 4.5 296 184 A 115 ARG HA A 115 ARG HBx 1.0 . 4.5 297 185 A 118 VAL HGy% A 115 ARG HA 1.0 . 5.5 298 186 A 115 ARG H A 115 ARG HBy 1.0 . 4.5 299 186 A 115 ARG H A 115 ARG HBx 1.0 . 4.5 300 187 A 116 ILE H A 115 ARG HBy 1.0 . 5.5 301 187 A 116 ILE H A 115 ARG HBx 1.0 . 5.5 302 188 A 115 ARG HA A 115 ARG HBy 1.0 . 5.5 303 188 A 115 ARG HA A 115 ARG HBx 1.0 . 5.5 304 189 A 115 ARG HBx A 115 ARG HDx 1.0 . 4.5 305 189 A 115 ARG HBy A 115 ARG HDx 1.0 . 4.5 306 189 A 115 ARG HDy A 115 ARG HBy 1.0 . 4.5 307 189 A 115 ARG HBx A 115 ARG HDy 1.0 . 4.5 308 190 A 115 ARG HDx A 115 ARG HGx 1.0 . 5.5 309 190 A 115 ARG HDy A 115 ARG HGx 1.0 . 5.5 310 190 A 115 ARG HGy A 115 ARG HDx 1.0 . 5.5 311 190 A 115 ARG HGy A 115 ARG HDy 1.0 . 5.5 312 191 A 115 ARG HBx A 115 ARG HGx 1.0 . 4.5 313 191 A 115 ARG HBy A 115 ARG HGx 1.0 . 4.5 314 191 A 115 ARG HGy A 115 ARG HBy 1.0 . 4.5 315 191 A 115 ARG HGy A 115 ARG HBx 1.0 . 4.5 316 192 A 110 LEU HBx A 115 ARG HDx 1.0 . 3.5 317 192 A 110 LEU HBy A 115 ARG HDx 1.0 . 3.5 318 192 A 115 ARG HDy A 110 LEU HBx 1.0 . 3.5 319 192 A 115 ARG HDy A 110 LEU HBy 1.0 . 3.5 320 193 A 117 SER H A 113 ASN HA 1.0 . 5.5 321 194 A 116 ILE HA A 113 ASN HA 1.0 . 5.5 322 195 A 33 ASN HA A 33 ASN HBy 1.0 . 2.8 323 195 A 33 ASN HBx A 33 ASN HA 1.0 . 2.8 324 196 A 113 ASN HA A 113 ASN HBx 1.0 . 2.8 325 196 A 113 ASN HA A 113 ASN HBy 1.0 . 2.8 326 197 A 116 ILE HB A 113 ASN HA 1.0 . 2.8 327 198 A 33 ASN H A 33 ASN HBy 1.0 . 2.8 328 198 A 33 ASN HBx A 33 ASN H 1.0 . 2.8 329 199 A 114 THR H A 113 ASN HBx 1.0 . 5.5 330 199 A 113 ASN HBy A 114 THR H 1.0 . 5.5 331 200 A 112 LEU H A 112 LEU HA 1.0 . 3.5 332 201 A 81 LEU HA A 84 LYS HEx 1.0 . 4.5 333 201 A 84 LYS HEy A 81 LEU HA 1.0 . 4.5 334 202 A 112 LEU H A 112 LEU HBx 1.0 . 2.8 335 202 A 112 LEU H A 112 LEU HBy 1.0 . 2.8 336 203 A 111 ASP HA A 112 LEU HBx 1.0 . 5.5 337 203 A 112 LEU HBy A 111 ASP HA 1.0 . 5.5 338 204 A 17 LEU H A 17 LEU HG 1.0 . 4.5 339 205 A 112 LEU H A 112 LEU HG 1.0 . 4.5 340 206 A 17 LEU HG A 14 SER HA 1.0 . 3.5 341 207 A 112 LEU HA A 112 LEU HG 1.0 . 2.8 342 208 A 112 LEU H A 111 ASP HA 1.0 . 2.8 343 209 A 111 ASP HA A 111 ASP HBy 1.0 . 2.8 344 209 A 111 ASP HA A 111 ASP HBx 1.0 . 2.8 345 210 A 112 LEU H A 111 ASP HBy 1.0 . 4.5 346 210 A 112 LEU H A 111 ASP HBx 1.0 . 4.5 347 211 A 64 ASP H A 64 ASP HBy 1.0 . 3.5 348 211 A 64 ASP H A 64 ASP HBx 1.0 . 3.5 349 212 A 111 ASP HA A 111 ASP HBy 1.0 . 2.8 350 212 A 111 ASP HA A 111 ASP HBx 1.0 . 2.8 351 213 A 111 ASP H A 110 LEU HA 1.0 . 2.8 352 214 A 12 ASP H A 11 LYS HA 1.0 . 3.5 353 215 A 110 LEU HA A 110 LEU H 1.0 . 5.5 354 216 A 11 LYS HA A 11 LYS HBx 1.0 . 2.8 355 216 A 11 LYS HA A 11 LYS HBy 1.0 . 2.8 356 217 A 111 ASP H A 110 LEU HBx 1.0 . 4.5 357 217 A 110 LEU HBy A 111 ASP H 1.0 . 4.5 358 218 A 110 LEU H A 110 LEU HBx 1.0 . 2.8 359 218 A 110 LEU HBy A 110 LEU H 1.0 . 2.8 360 219 A 110 LEU HA A 110 LEU HBx 1.0 . 2.8 361 219 A 110 LEU HBy A 110 LEU HA 1.0 . 2.8 362 220 A 110 LEU H A 110 LEU HG 1.0 . 5.5 363 221 A 109 SER H A 109 SER HA 1.0 . 5.5 364 222 A 110 LEU H A 109 SER HA 1.0 . 4.5 365 223 A 108 LYS H A 108 LYS HA 1.0 . 4.5 366 224 A 109 SER H A 108 LYS HA 1.0 . 4.5 367 225 A 74 ASP HA A 74 ASP HBy 1.0 . 4.5 368 225 A 74 ASP HBx A 74 ASP HA 1.0 . 4.5 369 226 A 108 LYS HA A 108 LYS HBy 1.0 . 2.8 370 226 A 108 LYS HBx A 108 LYS HA 1.0 . 2.8 371 227 A 108 LYS HA A 108 LYS HDx 1.0 . 4.5 372 227 A 108 LYS HA A 108 LYS HDy 1.0 . 4.5 373 228 A 108 LYS H A 108 LYS HBy 1.0 . 5.5 374 228 A 108 LYS HBx A 108 LYS H 1.0 . 5.5 375 229 A 108 LYS H A 108 LYS HGy 1.0 . 5.5 376 229 A 108 LYS HGx A 108 LYS H 1.0 . 5.5 377 230 A 108 LYS HA A 108 LYS HGy 1.0 . 4.5 378 230 A 108 LYS HGx A 108 LYS HA 1.0 . 4.5 379 231 A 108 LYS HBx A 108 LYS HGy 1.0 . 2.8 380 231 A 108 LYS HBy A 108 LYS HGy 1.0 . 2.8 381 231 A 108 LYS HGx A 108 LYS HBy 1.0 . 2.8 382 231 A 108 LYS HGx A 108 LYS HBx 1.0 . 2.8 383 232 A 106 SER H A 106 SER HA 1.0 . 3.5 384 233 A 106 SER H A 106 SER HBy 1.0 . 4.5 385 233 A 106 SER H A 106 SER HBx 1.0 . 4.5 386 234 A 106 SER HA A 106 SER HBy 1.0 . 2.8 387 234 A 106 SER HA A 106 SER HBx 1.0 . 2.8 388 235 A 48 GLN H A 48 GLN HA 1.0 . 4.5 389 236 A 105 LYS H A 105 LYS HA 1.0 . 3.5 390 237 A 106 SER H A 105 LYS HA 1.0 . 5.5 391 238 A 48 GLN HA A 48 GLN HGy 1.0 . 4.5 392 238 A 48 GLN HA A 48 GLN HGx 1.0 . 4.5 393 239 A 105 LYS HA A 105 LYS HGy 1.0 . 3.5 394 239 A 105 LYS HA A 105 LYS HGx 1.0 . 3.5 395 240 A 105 LYS H A 105 LYS HBx 1.0 . 2.8 396 240 A 105 LYS H A 105 LYS HBy 1.0 . 2.8 397 241 A 106 SER H A 105 LYS HBx 1.0 . 4.5 398 241 A 106 SER H A 105 LYS HBy 1.0 . 4.5 399 242 A 18 LYS HA A 18 LYS HBx 1.0 . 2.8 400 242 A 18 LYS HA A 18 LYS HBy 1.0 . 2.8 401 243 A 18 LYS HBy A 18 LYS HGx 1.0 . 2.8 402 243 A 18 LYS HBx A 18 LYS HGx 1.0 . 2.8 403 243 A 18 LYS HGy A 18 LYS HBx 1.0 . 2.8 404 243 A 18 LYS HGy A 18 LYS HBy 1.0 . 2.8 405 244 A 105 LYS H A 105 LYS HGy 1.0 . 5.5 406 244 A 105 LYS H A 105 LYS HGx 1.0 . 5.5 407 245 A 104 LEU HA A 104 LEU H 1.0 . 5.5 408 246 A 52 LEU HA A 55 SER HBx 1.0 . 5.5 409 246 A 55 SER HBy A 52 LEU HA 1.0 . 5.5 410 247 A 52 LEU HA A 43 GLU HA 1.0 . 5.5 411 248 A 52 LEU HA A 52 LEU H 1.0 . 4.5 412 249 A 104 LEU H A 104 LEU HBy 1.0 . 4.5 413 249 A 104 LEU HBx A 104 LEU H 1.0 . 4.5 414 250 A 105 LYS H A 104 LEU HBy 1.0 . 5.5 415 250 A 105 LYS H A 104 LEU HBx 1.0 . 5.5 416 251 A 101 MET HA A 104 LEU HBy 1.0 . 5.5 417 251 A 104 LEU HBx A 101 MET HA 1.0 . 5.5 418 252 A 104 LEU HA A 104 LEU HBy 1.0 . 4.5 419 252 A 104 LEU HBx A 104 LEU HA 1.0 . 4.5 420 253 A 104 LEU HG A 104 LEU H 1.0 . 4.5 421 254 A 27 LEU HA A 27 LEU HG 1.0 . 4.5 422 255 A 103 TYR H A 103 TYR HA 1.0 . 4.5 423 256 A 103 TYR H A 103 TYR HBy 1.0 . 5.5 424 256 A 103 TYR H A 103 TYR HBx 1.0 . 5.5 425 257 A 103 TYR HA A 103 TYR HBy 1.0 . 5.5 426 257 A 103 TYR HA A 103 TYR HBx 1.0 . 5.5 427 258 A 67 ALA HB% A 103 TYR HBy 1.0 . 5.5 428 258 A 67 ALA HB% A 103 TYR HBx 1.0 . 5.5 429 259 A 45 LYS HA A 48 GLN HBy 1.0 . 2.8 430 259 A 48 GLN HBx A 45 LYS HA 1.0 . 2.8 431 260 A 102 GLU HA A 102 GLU HBy 1.0 . 2.8 432 260 A 102 GLU HBx A 102 GLU HA 1.0 . 2.8 433 261 A 45 LYS HA A 45 LYS HBy 1.0 . 2.8 434 261 A 45 LYS HA A 45 LYS HBx 1.0 . 2.8 435 262 A 102 GLU HA A 102 GLU HBy 1.0 . 4.5 436 262 A 102 GLU HBx A 102 GLU HA 1.0 . 4.5 437 263 A 102 GLU H A 102 GLU HGx 1.0 . 4.5 438 263 A 102 GLU H A 102 GLU HGy 1.0 . 4.5 439 264 A 102 GLU HA A 102 GLU HGx 1.0 . 3.5 440 264 A 102 GLU HA A 102 GLU HGy 1.0 . 3.5 441 265 A 101 MET H A 101 MET HBy 1.0 . 4.5 442 265 A 101 MET H A 101 MET HBx 1.0 . 4.5 443 266 A 41 VAL HGx% A 41 VAL HB 1.0 . 2.8 444 267 A 101 MET H A 101 MET HGx 1.0 . 4.5 445 267 A 101 MET HGy A 101 MET H 1.0 . 4.5 446 268 A 98 GLN HA A 101 MET HGx 1.0 . 5.5 447 268 A 101 MET HGy A 98 GLN HA 1.0 . 5.5 448 269 A 101 MET HBy A 101 MET HGx 1.0 . 5.5 449 269 A 101 MET HBx A 101 MET HGx 1.0 . 5.5 450 269 A 101 MET HGy A 101 MET HBy 1.0 . 5.5 451 269 A 101 MET HGy A 101 MET HBx 1.0 . 5.5 452 270 A 100 VAL HGx% A 101 MET HGx 1.0 . 5.5 453 270 A 101 MET HGy A 100 VAL HGx% 1.0 . 5.5 454 271 A 100 VAL HA A 100 VAL HB 1.0 . 4.5 455 272 A 100 VAL HA A 100 VAL HGy% 1.0 . 2.8 456 273 A 100 VAL HA A 75 LEU HG 1.0 . 4.5 457 274 A 100 VAL HA A 63 VAL HGx% 1.0 . 3.5 458 275 A 100 VAL HB A 100 VAL H 1.0 . 3.5 459 276 A 22 PRO HA A 22 PRO HBy 1.0 . 4.5 460 276 A 22 PRO HA A 22 PRO HBx 1.0 . 4.5 461 277 A 100 VAL HB A 97 ILE HA 1.0 . 4.5 462 278 A 22 PRO HBy A 22 PRO HGy 1.0 . 4.5 463 278 A 22 PRO HBx A 22 PRO HGy 1.0 . 4.5 464 278 A 22 PRO HGx A 22 PRO HBy 1.0 . 4.5 465 278 A 22 PRO HBx A 22 PRO HGx 1.0 . 4.5 466 279 A 100 VAL HB A 100 VAL HGy% 1.0 . 3.5 467 280 A 100 VAL HGx% A 100 VAL HB 1.0 . 3.5 468 281 A 100 VAL HGx% A 100 VAL HA 1.0 . 3.5 469 282 A 100 VAL HGx% A 100 VAL HB 1.0 . 2.8 470 283 A 100 VAL HA A 100 VAL HGy% 1.0 . 2.8 471 284 A 100 VAL HGy% A 97 ILE HA 1.0 . 4.5 472 285 A 100 VAL HB A 100 VAL HGy% 1.0 . 2.8 473 286 A 100 VAL HGy% A 101 MET HBy 1.0 . 4.5 474 286 A 101 MET HBx A 100 VAL HGy% 1.0 . 4.5 475 287 A 99 LYS HA A 99 LYS HBx 1.0 . 3.5 476 287 A 99 LYS HA A 99 LYS HBy 1.0 . 3.5 477 288 A 99 LYS HA A 99 LYS HDx 1.0 . 2.8 478 288 A 99 LYS HA A 99 LYS HDy 1.0 . 2.8 479 289 A 98 GLN H A 98 GLN HBx 1.0 . 3.5 480 289 A 98 GLN H A 98 GLN HBy 1.0 . 3.5 481 290 A 95 TYR HA A 98 GLN HBx 1.0 . 5.5 482 290 A 98 GLN HBy A 95 TYR HA 1.0 . 5.5 483 291 A 98 GLN HA A 98 GLN HBx 1.0 . 2.8 484 291 A 98 GLN HA A 98 GLN HBy 1.0 . 2.8 485 292 A 35 ALA HA A 38 GLN HGx 1.0 . 2.8 486 292 A 35 ALA HA A 38 GLN HGy 1.0 . 2.8 487 293 A 38 GLN HA A 38 GLN HGx 1.0 . 3.5 488 293 A 38 GLN HGy A 38 GLN HA 1.0 . 3.5 489 294 A 101 MET H A 97 ILE HA 1.0 . 4.5 490 295 A 100 VAL HB A 97 ILE HA 1.0 . 4.5 491 296 A 97 ILE HB A 97 ILE HA 1.0 . 3.5 492 297 A 100 VAL HGy% A 97 ILE HA 1.0 . 4.5 493 298 A 96 MET H A 96 MET HA 1.0 . 4.5 494 299 A 96 MET HA A 99 LYS HBx 1.0 . 5.5 495 299 A 99 LYS HBy A 96 MET HA 1.0 . 5.5 496 300 A 96 MET HA A 96 MET HBy 1.0 . 5.5 497 300 A 96 MET HA A 96 MET HBx 1.0 . 5.5 498 301 A 95 TYR HA A 96 MET H 1.0 . 5.5 499 302 A 98 GLN H A 95 TYR HA 1.0 . 5.5 500 303 A 95 TYR HA A 95 TYR H 1.0 . 5.5 501 304 A 95 TYR HA A 95 TYR HBy 1.0 . 4.5 502 304 A 95 TYR HA A 95 TYR HBx 1.0 . 4.5 503 305 A 95 TYR H A 95 TYR HBy 1.0 . 5.5 504 305 A 95 TYR H A 95 TYR HBx 1.0 . 5.5 505 306 A 95 TYR HA A 95 TYR HBy 1.0 . 5.5 506 306 A 95 TYR HA A 95 TYR HBx 1.0 . 5.5 507 307 A 94 GLN HA A 94 GLN H 1.0 . 4.5 508 308 A 44 LYS HA A 44 LYS H 1.0 . 4.5 509 309 A 94 GLN HA A 94 GLN HGy 1.0 . 5.5 510 309 A 94 GLN HA A 94 GLN HGx 1.0 . 5.5 511 310 A 94 GLN HA A 94 GLN HBx 1.0 . 2.8 512 310 A 94 GLN HA A 94 GLN HBy 1.0 . 2.8 513 311 A 44 LYS HA A 44 LYS HBx 1.0 . 2.8 514 311 A 44 LYS HA A 44 LYS HBy 1.0 . 2.8 515 312 A 94 GLN H A 94 GLN HBx 1.0 . 2.8 516 312 A 94 GLN H A 94 GLN HBy 1.0 . 2.8 517 313 A 94 GLN HA A 94 GLN HBx 1.0 . 2.8 518 313 A 94 GLN HA A 94 GLN HBy 1.0 . 2.8 519 314 A 90 LYS HGy A 94 GLN HBx 1.0 . 4.5 520 314 A 90 LYS HGx A 94 GLN HBx 1.0 . 4.5 521 314 A 94 GLN HBy A 90 LYS HGy 1.0 . 4.5 522 314 A 90 LYS HGx A 94 GLN HBy 1.0 . 4.5 523 315 A 94 GLN H A 94 GLN HGy 1.0 . 4.5 524 315 A 94 GLN H A 94 GLN HGx 1.0 . 4.5 525 316 A 94 GLN HA A 94 GLN HGy 1.0 . 3.5 526 316 A 94 GLN HA A 94 GLN HGx 1.0 . 3.5 527 317 A 94 GLN HBx A 94 GLN HGy 1.0 . 2.8 528 317 A 94 GLN HBy A 94 GLN HGy 1.0 . 2.8 529 317 A 94 GLN HGx A 94 GLN HBx 1.0 . 2.8 530 317 A 94 GLN HGx A 94 GLN HBy 1.0 . 2.8 531 318 A 91 LEU HG A 94 GLN HGy 1.0 . 5.5 532 318 A 94 GLN HGx A 91 LEU HG 1.0 . 5.5 533 319 A 93 ILE HA A 96 MET HBy 1.0 . 4.5 534 319 A 96 MET HBx A 93 ILE HA 1.0 . 4.5 535 320 A 93 ILE HA A 93 ILE HB 1.0 . 4.5 536 321 A 94 GLN H A 93 ILE HB 1.0 . 5.5 537 322 A 93 ILE HB A 93 ILE H 1.0 . 4.5 538 323 A 90 LYS HA A 93 ILE HB 1.0 . 4.5 539 324 A 93 ILE H A 93 ILE HG1y 1.0 . 5.5 540 324 A 93 ILE H A 93 ILE HG1x 1.0 . 5.5 541 325 A 93 ILE HA A 93 ILE HG1y 1.0 . 5.5 542 325 A 93 ILE HA A 93 ILE HG1x 1.0 . 5.5 543 326 A 92 SER HA A 92 SER HBx 1.0 . 2.8 544 326 A 92 SER HBy A 92 SER HA 1.0 . 2.8 545 327 A 92 SER H A 92 SER HBx 1.0 . 4.5 546 327 A 92 SER HBy A 92 SER H 1.0 . 4.5 547 328 A 90 LYS HDy A 92 SER HBx 1.0 . 5.5 548 328 A 90 LYS HDx A 92 SER HBx 1.0 . 5.5 549 328 A 92 SER HBy A 90 LYS HDy 1.0 . 5.5 550 328 A 92 SER HBy A 90 LYS HDx 1.0 . 5.5 551 329 A 91 LEU H A 91 LEU HBy 1.0 . 4.5 552 329 A 91 LEU H A 91 LEU HBx 1.0 . 4.5 553 330 A 91 LEU H A 91 LEU HG 1.0 . 4.5 554 331 A 91 LEU HA A 91 LEU HG 1.0 . 5.5 555 332 A 90 LYS H A 90 LYS HA 1.0 . 5.5 556 333 A 90 LYS HA A 93 ILE H 1.0 . 5.5 557 334 A 90 LYS HA A 93 ILE HB 1.0 . 4.5 558 335 A 90 LYS HA A 90 LYS HGy 1.0 . 4.5 559 335 A 90 LYS HGx A 90 LYS HA 1.0 . 4.5 560 336 A 90 LYS HA A 92 SER HBx 1.0 . 5.5 561 336 A 90 LYS HA A 92 SER HBy 1.0 . 5.5 562 337 A 90 LYS H A 90 LYS HBy 1.0 . 4.5 563 337 A 90 LYS H A 90 LYS HBx 1.0 . 4.5 564 338 A 90 LYS HA A 90 LYS HBy 1.0 . 3.5 565 338 A 90 LYS HA A 90 LYS HBx 1.0 . 3.5 566 339 A 90 LYS H A 89 LEU HA 1.0 . 3.5 567 340 A 89 LEU HA A 89 LEU HBy 1.0 . 4.5 568 340 A 89 LEU HA A 89 LEU HBx 1.0 . 4.5 569 341 A 89 LEU HG A 89 LEU HBy 1.0 . 4.5 570 341 A 89 LEU HBx A 89 LEU HG 1.0 . 4.5 571 342 A 89 LEU HG A 89 LEU H 1.0 . 4.5 572 343 A 89 LEU HA A 89 LEU HG 1.0 . 4.5 573 344 A 89 LEU H A 88 GLN HA 1.0 . 4.5 574 345 A 35 ALA HA A 35 ALA H 1.0 . 5.5 575 346 A 35 ALA HA A 38 GLN HGx 1.0 . 5.5 576 346 A 35 ALA HA A 38 GLN HGy 1.0 . 5.5 577 347 A 88 GLN H A 88 GLN HBx 1.0 . 5.5 578 347 A 88 GLN H A 88 GLN HBy 1.0 . 5.5 579 348 A 87 GLY H A 87 GLY HAy 1.0 . 5.5 580 348 A 87 GLY H A 87 GLY HAx 1.0 . 5.5 581 349 A 85 LYS H A 85 LYS HA 1.0 . 5.5 582 350 A 84 LYS HA A 84 LYS HBy 1.0 . 4.5 583 350 A 84 LYS HA A 84 LYS HBx 1.0 . 4.5 584 351 A 84 LYS HA A 84 LYS HGx 1.0 . 4.5 585 351 A 84 LYS HA A 84 LYS HGy 1.0 . 4.5 586 352 A 84 LYS H A 84 LYS HBy 1.0 . 4.5 587 352 A 84 LYS HBx A 84 LYS H 1.0 . 4.5 588 353 A 84 LYS HA A 84 LYS HBy 1.0 . 4.5 589 353 A 84 LYS HA A 84 LYS HBx 1.0 . 4.5 590 354 A 84 LYS HBx A 84 LYS HEx 1.0 . 5.5 591 354 A 84 LYS HBy A 84 LYS HEx 1.0 . 5.5 592 354 A 84 LYS HEy A 84 LYS HBy 1.0 . 5.5 593 354 A 84 LYS HEy A 84 LYS HBx 1.0 . 5.5 594 355 A 84 LYS HBy A 84 LYS HGx 1.0 . 4.5 595 355 A 84 LYS HBx A 84 LYS HGx 1.0 . 4.5 596 355 A 84 LYS HGy A 84 LYS HBy 1.0 . 4.5 597 355 A 84 LYS HBx A 84 LYS HGy 1.0 . 4.5 598 356 A 82 LEU H A 82 LEU HA 1.0 . 5.5 599 357 A 15 GLN H A 15 GLN HA 1.0 . 3.5 600 358 A 15 GLN HA A 11 LYS HEy 1.0 . 4.5 601 358 A 15 GLN HA A 11 LYS HEx 1.0 . 4.5 602 359 A 15 GLN HA A 15 GLN HGx 1.0 . 3.5 603 359 A 15 GLN HA A 15 GLN HGy 1.0 . 3.5 604 360 A 82 LEU H A 82 LEU HBy 1.0 . 5.5 605 360 A 82 LEU H A 82 LEU HBx 1.0 . 5.5 606 361 A 81 LEU HA A 81 LEU H 1.0 . 5.5 607 362 A 81 LEU H A 81 LEU HBy 1.0 . 5.5 608 362 A 81 LEU H A 81 LEU HBx 1.0 . 5.5 609 363 A 80 THR H A 80 THR HA 1.0 . 5.5 610 364 A 80 THR HA A 80 THR HB 1.0 . 5.5 611 365 A 125 VAL HGy% A 80 THR HA 1.0 . 3.5 612 366 A 125 VAL HGx% A 80 THR HA 1.0 . 4.5 613 367 A 80 THR H A 80 THR HB 1.0 . 4.5 614 368 A 81 LEU H A 80 THR HB 1.0 . 4.5 615 369 A 80 THR HB A 77 GLU HA 1.0 . 4.5 616 370 A 80 THR HA A 80 THR HB 1.0 . 5.5 617 371 A 79 LEU H A 79 LEU HBy 1.0 . 4.5 618 371 A 79 LEU H A 79 LEU HBx 1.0 . 4.5 619 372 A 79 LEU H A 79 LEU HG 1.0 . 4.5 620 373 A 79 LEU HG A 79 LEU HA 1.0 . 5.5 621 374 A 78 GLN HA A 78 GLN H 1.0 . 5.5 622 375 A 66 LEU HA A 40 LEU HG 1.0 . 5.5 623 376 A 77 GLU H A 77 GLU HA 1.0 . 4.5 624 377 A 80 THR HB A 77 GLU HA 1.0 . 4.5 625 378 A 38 GLN HA A 38 GLN HBx 1.0 . 2.8 626 378 A 38 GLN HA A 38 GLN HBy 1.0 . 2.8 627 379 A 77 GLU H A 77 GLU HBx 1.0 . 2.8 628 379 A 77 GLU H A 77 GLU HBy 1.0 . 2.8 629 380 A 74 ASP HA A 77 GLU HBx 1.0 . 5.5 630 380 A 74 ASP HA A 77 GLU HBy 1.0 . 5.5 631 381 A 76 ASN HA A 76 ASN H 1.0 . 5.5 632 382 A 76 ASN H A 76 ASN HBy 1.0 . 5.5 633 382 A 76 ASN HBx A 76 ASN H 1.0 . 5.5 634 383 A 76 ASN HA A 76 ASN HBy 1.0 . 4.5 635 383 A 76 ASN HA A 76 ASN HBx 1.0 . 4.5 636 384 A 74 ASP H A 75 LEU HA 1.0 . 5.5 637 385 A 104 LEU HG A 75 LEU HA 1.0 . 4.5 638 386 A 75 LEU H A 75 LEU HBy 1.0 . 5.5 639 386 A 75 LEU H A 75 LEU HBx 1.0 . 5.5 640 387 A 72 TRP HA A 75 LEU HBy 1.0 . 4.5 641 387 A 75 LEU HBx A 72 TRP HA 1.0 . 4.5 642 388 A 74 ASP HA A 74 ASP H 1.0 . 4.5 643 389 A 75 LEU H A 74 ASP HBy 1.0 . 5.5 644 389 A 74 ASP HBx A 75 LEU H 1.0 . 5.5 645 390 A 74 ASP HA A 74 ASP HBy 1.0 . 5.5 646 390 A 74 ASP HBx A 74 ASP HA 1.0 . 5.5 647 391 A 73 ASP HA A 76 ASN HBy 1.0 . 5.5 648 391 A 76 ASN HBx A 73 ASP HA 1.0 . 5.5 649 392 A 73 ASP HA A 73 ASP HBx 1.0 . 5.5 650 392 A 73 ASP HA A 73 ASP HBy 1.0 . 5.5 651 393 A 73 ASP H A 73 ASP HBx 1.0 . 3.5 652 393 A 73 ASP HBy A 73 ASP H 1.0 . 3.5 653 394 A 74 ASP H A 73 ASP HBx 1.0 . 4.5 654 394 A 74 ASP H A 73 ASP HBy 1.0 . 4.5 655 395 A 73 ASP HA A 73 ASP HBx 1.0 . 2.8 656 395 A 73 ASP HA A 73 ASP HBy 1.0 . 2.8 657 396 A 72 TRP HA A 72 TRP H 1.0 . 5.5 658 397 A 72 TRP HA A 72 TRP HBy 1.0 . 4.5 659 397 A 72 TRP HBx A 72 TRP HA 1.0 . 4.5 660 398 A 75 LEU HG A 72 TRP HA 1.0 . 4.5 661 399 A 68 SER H A 72 TRP HBy 1.0 . 5.5 662 399 A 72 TRP HBx A 68 SER H 1.0 . 5.5 663 400 A 72 TRP HD1 A 72 TRP HBy 1.0 . 5.5 664 400 A 72 TRP HD1 A 72 TRP HBx 1.0 . 5.5 665 401 A 72 TRP H A 72 TRP HBy 1.0 . 5.5 666 401 A 72 TRP HBx A 72 TRP H 1.0 . 5.5 667 402 A 72 TRP HE1 A 70 ASN HA 1.0 . 5.5 668 403 A 70 ASN HA A 70 ASN H 1.0 . 4.5 669 404 A 70 ASN HA A 70 ASN HBy 1.0 . 4.5 670 404 A 70 ASN HA A 70 ASN HBx 1.0 . 4.5 671 405 A 72 TRP HE1 A 70 ASN HBy 1.0 . 5.5 672 405 A 72 TRP HE1 A 70 ASN HBx 1.0 . 5.5 673 406 A 72 TRP HD1 A 70 ASN HBy 1.0 . 5.5 674 406 A 72 TRP HD1 A 70 ASN HBx 1.0 . 5.5 675 407 A 70 ASN HBy A 70 ASN HD2y 1.0 . 5.5 676 407 A 70 ASN HBx A 70 ASN HD2y 1.0 . 5.5 677 407 A 70 ASN HD2x A 70 ASN HBy 1.0 . 5.5 678 407 A 70 ASN HBx A 70 ASN HD2x 1.0 . 5.5 679 408 A 70 ASN HA A 70 ASN HBy 1.0 . 3.5 680 408 A 70 ASN HA A 70 ASN HBx 1.0 . 3.5 681 409 A 72 TRP HD1 A 70 ASN HA 1.0 . 5.5 682 410 A 69 ARG H A 69 ARG HA 1.0 . 5.5 683 411 A 69 ARG HA A 69 ARG HBy 1.0 . 4.5 684 411 A 69 ARG HA A 69 ARG HBx 1.0 . 4.5 685 412 A 68 SER H A 68 SER HA 1.0 . 5.5 686 413 A 67 ALA H A 67 ALA HA 1.0 . 5.5 687 414 A 68 SER H A 67 ALA HA 1.0 . 5.5 688 415 A 67 ALA HB% A 67 ALA HA 1.0 . 2.8 689 416 A 67 ALA HB% A 67 ALA H 1.0 . 3.5 690 417 A 67 ALA HB% A 68 SER H 1.0 . 4.5 691 418 A 67 ALA HB% A 103 TYR HBy 1.0 . 4.5 692 418 A 67 ALA HB% A 103 TYR HBx 1.0 . 4.5 693 419 A 67 ALA HB% A 67 ALA HA 1.0 . 2.8 694 420 A 67 ALA HB% A 63 VAL HGy% 1.0 . 5.5 695 421 A 67 ALA HB% A 75 LEU HG 1.0 . 2.8 696 422 A 67 ALA HB% A 63 VAL HGx% 1.0 . 2.8 697 423 A 66 LEU HA A 66 LEU H 1.0 . 5.5 698 424 A 66 LEU HA A 40 LEU HG 1.0 . 5.5 699 425 A 65 LEU H A 65 LEU HA 1.0 . 4.5 700 426 A 66 LEU H A 65 LEU HA 1.0 . 5.5 701 427 A 65 LEU HA A 65 LEU HBy 1.0 . 4.5 702 427 A 65 LEU HA A 65 LEU HBx 1.0 . 4.5 703 428 A 65 LEU H A 65 LEU HBy 1.0 . 5.5 704 428 A 65 LEU H A 65 LEU HBx 1.0 . 5.5 705 429 A 66 LEU H A 65 LEU HBy 1.0 . 5.5 706 429 A 66 LEU H A 65 LEU HBx 1.0 . 5.5 707 430 A 29 GLN H A 29 GLN HA 1.0 . 4.5 708 431 A 63 VAL H A 63 VAL HA 1.0 . 4.5 709 432 A 63 VAL HA A 63 VAL HB 1.0 . 4.5 710 433 A 100 VAL HGy% A 63 VAL HA 1.0 . 5.5 711 434 A 63 VAL HGy% A 63 VAL HA 1.0 . 2.8 712 435 A 63 VAL HGx% A 63 VAL HA 1.0 . 3.5 713 436 A 64 ASP H A 63 VAL HB 1.0 . 5.5 714 437 A 63 VAL H A 63 VAL HB 1.0 . 5.5 715 438 A 63 VAL HGx% A 63 VAL HB 1.0 . 2.8 716 439 A 64 ASP H A 63 VAL HGx% 1.0 . 5.5 717 440 A 103 TYR H A 63 VAL HGx% 1.0 . 5.5 718 441 A 63 VAL HGx% A 63 VAL H 1.0 . 5.5 719 442 A 63 VAL HGx% A 61 LYS HA 1.0 . 5.5 720 443 A 63 VAL HGx% A 60 ALA HA 1.0 . 4.5 721 444 A 100 VAL HA A 63 VAL HGx% 1.0 . 3.5 722 445 A 63 VAL HGx% A 63 VAL HB 1.0 . 2.8 723 446 A 63 VAL HGx% A 99 LYS HBx 1.0 . 3.5 724 446 A 63 VAL HGx% A 99 LYS HBy 1.0 . 3.5 725 447 A 67 ALA HB% A 63 VAL HGx% 1.0 . 3.5 726 448 A 75 LEU HG A 63 VAL HGx% 1.0 . 2.8 727 449 A 64 ASP H A 63 VAL HGy% 1.0 . 5.5 728 450 A 63 VAL HGy% A 63 VAL H 1.0 . 3.5 729 451 A 63 VAL HGy% A 60 ALA HA 1.0 . 4.5 730 452 A 100 VAL HA A 63 VAL HGy% 1.0 . 4.5 731 453 A 63 VAL HGy% A 63 VAL HA 1.0 . 4.5 732 454 A 100 VAL HB A 63 VAL HGy% 1.0 . 5.5 733 455 A 63 VAL HGy% A 99 LYS HBx 1.0 . 2.8 734 455 A 99 LYS HBy A 63 VAL HGy% 1.0 . 2.8 735 456 A 62 ILE H A 62 ILE HA 1.0 . 5.5 736 457 A 62 ILE H A 62 ILE HB 1.0 . 5.5 737 458 A 62 ILE HB A 59 LEU HA 1.0 . 5.5 738 459 A 61 LYS H A 61 LYS HBy 1.0 . 4.5 739 459 A 61 LYS H A 61 LYS HBx 1.0 . 4.5 740 460 A 61 LYS HBy A 61 LYS HDy 1.0 . 4.5 741 460 A 61 LYS HBx A 61 LYS HDy 1.0 . 4.5 742 460 A 61 LYS HDx A 61 LYS HBy 1.0 . 4.5 743 460 A 61 LYS HBx A 61 LYS HDx 1.0 . 4.5 744 461 A 60 ALA HA A 60 ALA H 1.0 . 5.5 745 462 A 60 ALA HA A 60 ALA HB% 1.0 . 3.5 746 463 A 60 ALA H A 60 ALA HB% 1.0 . 2.8 747 464 A 61 LYS H A 60 ALA HB% 1.0 . 4.5 748 465 A 60 ALA HB% A 57 GLU HA 1.0 . 4.5 749 466 A 60 ALA HA A 60 ALA HB% 1.0 . 2.8 750 467 A 60 ALA HB% A 99 LYS HEy 1.0 . 4.5 751 467 A 60 ALA HB% A 99 LYS HEx 1.0 . 4.5 752 468 A 60 ALA HB% A 99 LYS HDx 1.0 . 4.5 753 468 A 99 LYS HDy A 60 ALA HB% 1.0 . 4.5 754 469 A 59 LEU HA A 59 LEU H 1.0 . 5.5 755 470 A 59 LEU HA A 60 ALA H 1.0 . 4.5 756 471 A 59 LEU HG A 59 LEU HBx 1.0 . 4.5 757 471 A 59 LEU HG A 59 LEU HBy 1.0 . 4.5 758 472 A 43 GLU HGx A 59 LEU HBx 1.0 . 4.5 759 472 A 59 LEU HBy A 43 GLU HGy 1.0 . 4.5 760 472 A 59 LEU HBy A 43 GLU HGx 1.0 . 4.5 761 472 A 43 GLU HGy A 59 LEU HBx 1.0 . 4.5 762 473 A 17 LEU HA A 17 LEU HBy 1.0 . 5.5 763 473 A 17 LEU HBx A 17 LEU HA 1.0 . 5.5 764 474 A 17 LEU H A 17 LEU HBy 1.0 . 5.5 765 474 A 17 LEU H A 17 LEU HBx 1.0 . 5.5 766 475 A 58 VAL HA A 58 VAL HB 1.0 . 4.5 767 476 A 58 VAL HGy% A 58 VAL HA 1.0 . 2.8 768 477 A 58 VAL HGy% A 58 VAL HB 1.0 . 2.8 769 478 A 58 VAL HGx% A 43 GLU H 1.0 . 4.5 770 479 A 58 VAL HGx% A 58 VAL H 1.0 . 5.5 771 480 A 58 VAL HGx% A 58 VAL HA 1.0 . 4.5 772 481 A 58 VAL HGx% A 58 VAL HB 1.0 . 2.8 773 482 A 58 VAL HGx% A 61 LYS HDy 1.0 . 2.8 774 482 A 58 VAL HGx% A 61 LYS HDx 1.0 . 2.8 775 483 A 58 VAL HGy% A 61 LYS HBy 1.0 . 5.5 776 483 A 58 VAL HGy% A 61 LYS HBx 1.0 . 5.5 777 484 A 58 VAL HGy% A 58 VAL HB 1.0 . 2.8 778 485 A 58 VAL HGy% A 58 VAL HA 1.0 . 2.8 779 486 A 44 LYS H A 58 VAL HGy% 1.0 . 4.5 780 487 A 58 VAL HGy% A 58 VAL H 1.0 . 3.5 781 488 A 58 VAL HGy% A 59 LEU H 1.0 . 5.5 782 489 A 57 GLU HA A 57 GLU H 1.0 . 4.5 783 490 A 57 GLU HA A 57 GLU HGx 1.0 . 2.8 784 490 A 57 GLU HA A 57 GLU HGy 1.0 . 2.8 785 491 A 57 GLU HA A 57 GLU HBx 1.0 . 2.8 786 491 A 57 GLU HBy A 57 GLU HA 1.0 . 2.8 787 492 A 60 ALA HB% A 57 GLU HA 1.0 . 3.5 788 493 A 58 VAL H A 57 GLU HBx 1.0 . 5.5 789 493 A 57 GLU HBy A 58 VAL H 1.0 . 5.5 790 494 A 57 GLU H A 57 GLU HBx 1.0 . 4.5 791 494 A 57 GLU HBy A 57 GLU H 1.0 . 4.5 792 495 A 57 GLU HA A 57 GLU HBx 1.0 . 4.5 793 495 A 57 GLU HBy A 57 GLU HA 1.0 . 4.5 794 496 A 58 VAL HGy% A 57 GLU HBx 1.0 . 5.5 795 496 A 57 GLU HBy A 58 VAL HGy% 1.0 . 5.5 796 497 A 20 GLU H A 20 GLU HGx 1.0 . 4.5 797 497 A 20 GLU H A 20 GLU HGy 1.0 . 4.5 798 498 A 58 VAL H A 57 GLU HGx 1.0 . 5.5 799 498 A 58 VAL H A 57 GLU HGy 1.0 . 5.5 800 499 A 57 GLU H A 57 GLU HGx 1.0 . 4.5 801 499 A 57 GLU H A 57 GLU HGy 1.0 . 4.5 802 500 A 23 LYS H A 20 GLU HGx 1.0 . 5.5 803 500 A 20 GLU HGy A 23 LYS H 1.0 . 5.5 804 501 A 57 GLU HA A 57 GLU HGx 1.0 . 3.5 805 501 A 57 GLU HA A 57 GLU HGy 1.0 . 3.5 806 502 A 20 GLU HGy A 23 LYS HGx 1.0 . 5.5 807 502 A 20 GLU HGx A 23 LYS HGx 1.0 . 5.5 808 502 A 23 LYS HGy A 20 GLU HGx 1.0 . 5.5 809 502 A 20 GLU HGy A 23 LYS HGy 1.0 . 5.5 810 503 A 53 ALA H A 53 ALA HA 1.0 . 4.5 811 504 A 53 ALA HA A 53 ALA HB% 1.0 . 2.8 812 505 A 53 ALA H A 53 ALA HB% 1.0 . 2.8 813 506 A 52 LEU H A 53 ALA HB% 1.0 . 5.5 814 507 A 53 ALA HB% A 54 SER H 1.0 . 3.5 815 508 A 53 ALA HA A 53 ALA HB% 1.0 . 2.8 816 509 A 52 LEU H A 52 LEU HBy 1.0 . 4.5 817 509 A 52 LEU H A 52 LEU HBx 1.0 . 4.5 818 510 A 52 LEU HG A 52 LEU HBy 1.0 . 2.8 819 510 A 52 LEU HBx A 52 LEU HG 1.0 . 2.8 820 511 A 51 ASP H A 50 SER HA 1.0 . 5.5 821 512 A 50 SER HA A 50 SER H 1.0 . 2.8 822 513 A 50 SER HA A 49 ALA H 1.0 . 5.5 823 514 A 50 SER H A 50 SER HBx 1.0 . 4.5 824 514 A 50 SER HBy A 50 SER H 1.0 . 4.5 825 515 A 6 PRO HA A 4 ASP HA 1.0 . 5.5 826 516 A 49 ALA H A 49 ALA HA 1.0 . 5.5 827 517 A 49 ALA HA A 49 ALA HB% 1.0 . 3.5 828 518 A 51 ASP H A 49 ALA HB% 1.0 . 5.5 829 519 A 50 SER H A 49 ALA HB% 1.0 . 5.5 830 520 A 49 ALA H A 49 ALA HB% 1.0 . 2.8 831 521 A 49 ALA HA A 49 ALA HB% 1.0 . 2.8 832 522 A 49 ALA HB% A 46 THR HA 1.0 . 3.5 833 523 A 49 ALA HB% A 51 ASP HBx 1.0 . 2.8 834 523 A 49 ALA HB% A 51 ASP HBy 1.0 . 2.8 835 524 A 38 GLN HA A 37 ASP HBy 1.0 . 4.5 836 524 A 38 GLN HA A 37 ASP HBx 1.0 . 4.5 837 525 A 48 GLN H A 48 GLN HBy 1.0 . 4.5 838 525 A 48 GLN H A 48 GLN HBx 1.0 . 4.5 839 526 A 48 GLN HA A 48 GLN HBy 1.0 . 3.5 840 526 A 48 GLN HA A 48 GLN HBx 1.0 . 3.5 841 527 A 48 GLN HBx A 48 GLN HGy 1.0 . 3.5 842 527 A 48 GLN HGx A 48 GLN HBy 1.0 . 3.5 843 527 A 48 GLN HGx A 48 GLN HBx 1.0 . 3.5 844 527 A 48 GLN HBy A 48 GLN HGy 1.0 . 3.5 845 528 A 48 GLN H A 48 GLN HGy 1.0 . 4.5 846 528 A 48 GLN H A 48 GLN HGx 1.0 . 4.5 847 529 A 48 GLN HE2x A 48 GLN HGy 1.0 . 5.5 848 529 A 48 GLN HE2y A 48 GLN HGy 1.0 . 5.5 849 529 A 48 GLN HGx A 48 GLN HE2x 1.0 . 5.5 850 529 A 48 GLN HGx A 48 GLN HE2y 1.0 . 5.5 851 530 A 48 GLN HA A 48 GLN HGy 1.0 . 4.5 852 530 A 48 GLN HA A 48 GLN HGx 1.0 . 4.5 853 531 A 48 GLN HBx A 48 GLN HGy 1.0 . 4.5 854 531 A 48 GLN HGx A 48 GLN HBy 1.0 . 4.5 855 531 A 48 GLN HGx A 48 GLN HBx 1.0 . 4.5 856 531 A 48 GLN HBy A 48 GLN HGy 1.0 . 4.5 857 532 A 47 ARG H A 47 ARG HA 1.0 . 4.5 858 533 A 38 GLN HA A 38 GLN HGx 1.0 . 2.8 859 533 A 38 GLN HGy A 38 GLN HA 1.0 . 2.8 860 534 A 46 THR HA A 46 THR HB 1.0 . 3.5 861 535 A 49 ALA HB% A 46 THR HB 1.0 . 5.5 862 536 A 45 LYS HA A 45 LYS H 1.0 . 5.5 863 537 A 45 LYS HA A 49 ALA HB% 1.0 . 4.5 864 538 A 45 LYS HA A 45 LYS HBy 1.0 . 4.5 865 538 A 45 LYS HA A 45 LYS HBx 1.0 . 4.5 866 539 A 94 GLN HA A 90 LYS HBy 1.0 . 5.5 867 539 A 94 GLN HA A 90 LYS HBx 1.0 . 5.5 868 540 A 45 LYS H A 44 LYS HBx 1.0 . 5.5 869 540 A 44 LYS HBy A 45 LYS H 1.0 . 5.5 870 541 A 44 LYS H A 44 LYS HBx 1.0 . 4.5 871 541 A 44 LYS H A 44 LYS HBy 1.0 . 4.5 872 542 A 44 LYS HA A 44 LYS HBx 1.0 . 4.5 873 542 A 44 LYS HA A 44 LYS HBy 1.0 . 4.5 874 543 A 41 VAL HGx% A 44 LYS HBx 1.0 . 5.5 875 543 A 41 VAL HGx% A 44 LYS HBy 1.0 . 5.5 876 544 A 43 GLU HA A 43 GLU H 1.0 . 5.5 877 545 A 43 GLU HA A 43 GLU HGy 1.0 . 3.5 878 545 A 43 GLU HA A 43 GLU HGx 1.0 . 3.5 879 546 A 43 GLU HA A 43 GLU HBx 1.0 . 4.5 880 546 A 43 GLU HA A 43 GLU HBy 1.0 . 4.5 881 547 A 43 GLU HBy A 43 GLU HGy 1.0 . 5.5 882 547 A 43 GLU HBx A 43 GLU HGy 1.0 . 5.5 883 547 A 43 GLU HGx A 43 GLU HBx 1.0 . 5.5 884 547 A 43 GLU HGx A 43 GLU HBy 1.0 . 5.5 885 548 A 42 LEU H A 42 LEU HA 1.0 . 5.5 886 549 A 42 LEU H A 42 LEU HBy 1.0 . 5.5 887 549 A 42 LEU H A 42 LEU HBx 1.0 . 5.5 888 550 A 42 LEU HG A 42 LEU HBy 1.0 . 5.5 889 550 A 42 LEU HG A 42 LEU HBx 1.0 . 5.5 890 551 A 58 VAL HGy% A 42 LEU HBy 1.0 . 5.5 891 551 A 58 VAL HGy% A 42 LEU HBx 1.0 . 5.5 892 552 A 42 LEU HG A 42 LEU H 1.0 . 5.5 893 553 A 42 LEU HG A 39 LEU HA 1.0 . 5.5 894 554 A 42 LEU HG A 42 LEU HA 1.0 . 5.5 895 555 A 42 LEU HG A 42 LEU HBy 1.0 . 4.5 896 555 A 42 LEU HG A 42 LEU HBx 1.0 . 4.5 897 556 A 41 VAL H A 41 VAL HA 1.0 . 4.5 898 557 A 41 VAL HB A 41 VAL HA 1.0 . 4.5 899 558 A 41 VAL HA A 41 VAL HGy% 1.0 . 2.8 900 559 A 41 VAL HGx% A 41 VAL HA 1.0 . 2.8 901 560 A 41 VAL HB A 41 VAL H 1.0 . 4.5 902 561 A 41 VAL HB A 42 LEU H 1.0 . 5.5 903 562 A 6 PRO HA A 6 PRO HBy 1.0 . 3.5 904 562 A 6 PRO HA A 6 PRO HBx 1.0 . 3.5 905 563 A 6 PRO HBx A 6 PRO HGx 1.0 . 2.8 906 563 A 6 PRO HBy A 6 PRO HGx 1.0 . 2.8 907 563 A 6 PRO HGy A 6 PRO HBy 1.0 . 2.8 908 563 A 6 PRO HGy A 6 PRO HBx 1.0 . 2.8 909 564 A 41 VAL HGx% A 41 VAL H 1.0 . 4.5 910 565 A 41 VAL HGx% A 42 LEU H 1.0 . 5.5 911 566 A 41 VAL HGx% A 41 VAL HA 1.0 . 2.8 912 567 A 134 VAL HGx% A 136 ARG HBy 1.0 . 5.5 913 567 A 136 ARG HBx A 134 VAL HGx% 1.0 . 5.5 914 568 A 134 VAL HGx% A 136 ARG HGx 1.0 . 4.5 915 568 A 136 ARG HGy A 134 VAL HGx% 1.0 . 4.5 916 569 A 41 VAL H A 41 VAL HGy% 1.0 . 2.8 917 570 A 42 LEU H A 41 VAL HGy% 1.0 . 5.5 918 571 A 38 GLN HA A 41 VAL HGy% 1.0 . 3.5 919 572 A 41 VAL HA A 41 VAL HGy% 1.0 . 2.8 920 573 A 40 LEU H A 40 LEU HBx 1.0 . 5.5 921 573 A 40 LEU H A 40 LEU HBy 1.0 . 5.5 922 574 A 40 LEU HA A 40 LEU HBx 1.0 . 5.5 923 574 A 40 LEU HA A 40 LEU HBy 1.0 . 5.5 924 575 A 40 LEU HG A 40 LEU HBx 1.0 . 5.5 925 575 A 40 LEU HG A 40 LEU HBy 1.0 . 5.5 926 576 A 40 LEU HG A 40 LEU H 1.0 . 4.5 927 577 A 40 LEU HG A 66 LEU H 1.0 . 5.5 928 578 A 40 LEU HG A 40 LEU HA 1.0 . 5.5 929 579 A 40 LEU HG A 61 LYS HDy 1.0 . 5.5 930 579 A 40 LEU HG A 61 LYS HDx 1.0 . 5.5 931 580 A 39 LEU HA A 39 LEU H 1.0 . 5.5 932 581 A 39 LEU HA A 39 LEU HBx 1.0 . 5.5 933 581 A 39 LEU HBy A 39 LEU HA 1.0 . 5.5 934 582 A 39 LEU HA A 39 LEU HBx 1.0 . 5.5 935 582 A 39 LEU HBy A 39 LEU HA 1.0 . 5.5 936 583 A 39 LEU HG A 39 LEU HBx 1.0 . 5.5 937 583 A 39 LEU HBy A 39 LEU HG 1.0 . 5.5 938 584 A 38 GLN HA A 41 VAL HGy% 1.0 . 3.5 939 585 A 41 VAL HGx% A 38 GLN HA 1.0 . 3.5 940 586 A 39 LEU H A 38 GLN HBx 1.0 . 4.5 941 586 A 38 GLN HBy A 39 LEU H 1.0 . 4.5 942 587 A 38 GLN H A 38 GLN HBx 1.0 . 3.5 943 587 A 38 GLN HBy A 38 GLN H 1.0 . 3.5 944 588 A 38 GLN HBx A 38 GLN HGx 1.0 . 2.8 945 588 A 38 GLN HBy A 38 GLN HGx 1.0 . 2.8 946 588 A 38 GLN HGy A 38 GLN HBx 1.0 . 2.8 947 588 A 38 GLN HGy A 38 GLN HBy 1.0 . 2.8 948 589 A 38 GLN H A 38 GLN HGx 1.0 . 4.5 949 589 A 38 GLN HGy A 38 GLN H 1.0 . 4.5 950 590 A 38 GLN H A 38 GLN HGx 1.0 . 4.5 951 590 A 38 GLN HGy A 38 GLN H 1.0 . 4.5 952 591 A 40 LEU H A 37 ASP HA 1.0 . 5.5 953 592 A 37 ASP HA A 37 ASP H 1.0 . 5.5 954 593 A 37 ASP HA A 39 LEU H 1.0 . 5.5 955 594 A 37 ASP HA A 38 GLN H 1.0 . 5.5 956 595 A 37 ASP HA A 37 ASP HBy 1.0 . 4.5 957 595 A 37 ASP HBx A 37 ASP HA 1.0 . 4.5 958 596 A 26 SER H A 25 ASP HBy 1.0 . 5.5 959 596 A 25 ASP HBx A 26 SER H 1.0 . 5.5 960 597 A 36 LEU H A 36 LEU HA 1.0 . 5.5 961 598 A 36 LEU HA A 36 LEU HBy 1.0 . 3.5 962 598 A 36 LEU HA A 36 LEU HBx 1.0 . 3.5 963 599 A 36 LEU H A 36 LEU HBy 1.0 . 5.5 964 599 A 36 LEU H A 36 LEU HBx 1.0 . 5.5 965 600 A 28 ALA H A 35 ALA HB% 1.0 . 4.5 966 601 A 36 LEU H A 35 ALA HB% 1.0 . 4.5 967 602 A 35 ALA H A 35 ALA HB% 1.0 . 2.8 968 603 A 27 LEU HA A 35 ALA HB% 1.0 . 5.5 969 604 A 35 ALA HB% A 28 ALA HA 1.0 . 2.8 970 605 A 35 ALA HB% A 38 GLN HBx 1.0 . 4.5 971 605 A 38 GLN HBy A 35 ALA HB% 1.0 . 4.5 972 606 A 27 LEU HG A 35 ALA HB% 1.0 . 3.5 973 607 A 35 ALA HB% A 28 ALA HB% 1.0 . 3.5 974 608 A 35 ALA HB% A 65 LEU HG 1.0 . 4.5 975 609 A 37 ASP H A 34 SER HA 1.0 . 5.5 976 610 A 34 SER HA A 34 SER H 1.0 . 4.5 977 611 A 34 SER HA A 37 ASP HBy 1.0 . 4.5 978 611 A 37 ASP HBx A 34 SER HA 1.0 . 4.5 979 612 A 33 ASN HA A 33 ASN HBy 1.0 . 2.8 980 612 A 33 ASN HBx A 33 ASN HA 1.0 . 2.8 981 613 A 34 SER H A 33 ASN HBy 1.0 . 4.5 982 613 A 33 ASN HBx A 34 SER H 1.0 . 4.5 983 614 A 32 CYS H A 32 CYS HBy 1.0 . 5.5 984 614 A 32 CYS H A 32 CYS HBx 1.0 . 5.5 985 615 A 33 ASN H A 32 CYS HBy 1.0 . 5.5 986 615 A 33 ASN H A 32 CYS HBx 1.0 . 5.5 987 616 A 31 ASP H A 30 ASN HBy 1.0 . 5.5 988 616 A 31 ASP H A 30 ASN HBx 1.0 . 5.5 989 617 A 30 ASN HA A 30 ASN HBy 1.0 . 3.5 990 617 A 30 ASN HBx A 30 ASN HA 1.0 . 3.5 991 618 A 28 ALA H A 28 ALA HA 1.0 . 5.5 992 619 A 28 ALA HA A 32 CYS HA 1.0 . 4.5 993 620 A 35 ALA HB% A 28 ALA HA 1.0 . 3.5 994 621 A 28 ALA HA A 28 ALA HB% 1.0 . 2.8 995 622 A 28 ALA H A 28 ALA HB% 1.0 . 2.8 996 623 A 28 ALA HB% A 29 GLN HE2y 1.0 . 5.5 997 623 A 28 ALA HB% A 29 GLN HE2x 1.0 . 5.5 998 624 A 29 GLN H A 28 ALA HB% 1.0 . 4.5 999 625 A 28 ALA HB% A 25 ASP HA 1.0 . 4.5 1000 626 A 28 ALA HA A 28 ALA HB% 1.0 . 2.8 1001 627 A 28 ALA HB% A 65 LEU HG 1.0 . 4.5 1002 628 A 27 LEU H A 27 LEU HBy 1.0 . 4.5 1003 628 A 27 LEU H A 27 LEU HBx 1.0 . 4.5 1004 629 A 27 LEU HA A 27 LEU HBy 1.0 . 4.5 1005 629 A 27 LEU HA A 27 LEU HBx 1.0 . 4.5 1006 630 A 27 LEU HG A 27 LEU H 1.0 . 5.5 1007 631 A 27 LEU H A 26 SER HA 1.0 . 5.5 1008 632 A 29 GLN H A 26 SER HA 1.0 . 5.5 1009 633 A 26 SER H A 26 SER HBx 1.0 . 2.8 1010 633 A 26 SER H A 26 SER HBy 1.0 . 2.8 1011 634 A 27 LEU H A 26 SER HBx 1.0 . 4.5 1012 634 A 27 LEU H A 26 SER HBy 1.0 . 4.5 1013 635 A 25 ASP H A 25 ASP HBy 1.0 . 4.5 1014 635 A 25 ASP H A 25 ASP HBx 1.0 . 4.5 1015 636 A 25 ASP H A 24 ILE HA 1.0 . 5.5 1016 637 A 24 ILE H A 24 ILE HA 1.0 . 4.5 1017 638 A 24 ILE HA A 27 LEU HBy 1.0 . 4.5 1018 638 A 24 ILE HA A 27 LEU HBx 1.0 . 4.5 1019 639 A 25 ASP H A 24 ILE HB 1.0 . 5.5 1020 640 A 24 ILE H A 24 ILE HB 1.0 . 4.5 1021 641 A 24 ILE HA A 24 ILE HB 1.0 . 5.5 1022 642 A 23 LYS HA A 23 LYS H 1.0 . 5.5 1023 643 A 23 LYS HA A 23 LYS HEx 1.0 . 5.5 1024 643 A 23 LYS HA A 23 LYS HEy 1.0 . 5.5 1025 644 A 23 LYS HA A 23 LYS HBy 1.0 . 2.8 1026 644 A 23 LYS HA A 23 LYS HBx 1.0 . 2.8 1027 645 A 23 LYS HA A 23 LYS HDx 1.0 . 4.5 1028 645 A 23 LYS HA A 23 LYS HDy 1.0 . 4.5 1029 646 A 23 LYS HA A 23 LYS HGx 1.0 . 4.5 1030 646 A 23 LYS HA A 23 LYS HGy 1.0 . 4.5 1031 647 A 23 LYS H A 23 LYS HBy 1.0 . 5.5 1032 647 A 23 LYS H A 23 LYS HBx 1.0 . 5.5 1033 648 A 23 LYS HA A 23 LYS HBy 1.0 . 5.5 1034 648 A 23 LYS HA A 23 LYS HBx 1.0 . 5.5 1035 649 A 23 LYS HBx A 23 LYS HEx 1.0 . 4.5 1036 649 A 23 LYS HEy A 23 LYS HBy 1.0 . 4.5 1037 649 A 23 LYS HEy A 23 LYS HBx 1.0 . 4.5 1038 649 A 23 LYS HBy A 23 LYS HEx 1.0 . 4.5 1039 650 A 23 LYS HBy A 23 LYS HGx 1.0 . 5.5 1040 650 A 23 LYS HBx A 23 LYS HGx 1.0 . 5.5 1041 650 A 23 LYS HGy A 23 LYS HBy 1.0 . 5.5 1042 650 A 23 LYS HGy A 23 LYS HBx 1.0 . 5.5 1043 651 A 23 LYS H A 23 LYS HDx 1.0 . 5.5 1044 651 A 23 LYS H A 23 LYS HDy 1.0 . 5.5 1045 652 A 20 GLU HA A 23 LYS HDx 1.0 . 4.5 1046 652 A 23 LYS HDy A 20 GLU HA 1.0 . 4.5 1047 653 A 23 LYS HDy A 23 LYS HEx 1.0 . 2.8 1048 653 A 23 LYS HDx A 23 LYS HEx 1.0 . 2.8 1049 653 A 23 LYS HEy A 23 LYS HDx 1.0 . 2.8 1050 653 A 23 LYS HEy A 23 LYS HDy 1.0 . 2.8 1051 654 A 23 LYS HBy A 23 LYS HDx 1.0 . 2.8 1052 654 A 23 LYS HBx A 23 LYS HDx 1.0 . 2.8 1053 654 A 23 LYS HDy A 23 LYS HBy 1.0 . 2.8 1054 654 A 23 LYS HBx A 23 LYS HDy 1.0 . 2.8 1055 655 A 23 LYS HDx A 23 LYS HGx 1.0 . 2.8 1056 655 A 23 LYS HDy A 23 LYS HGx 1.0 . 2.8 1057 655 A 23 LYS HGy A 23 LYS HDx 1.0 . 2.8 1058 655 A 23 LYS HGy A 23 LYS HDy 1.0 . 2.8 1059 656 A 58 VAL HA A 61 LYS HBy 1.0 . 4.5 1060 656 A 61 LYS HBx A 58 VAL HA 1.0 . 4.5 1061 657 A 22 PRO HA A 22 PRO HGy 1.0 . 5.5 1062 657 A 22 PRO HA A 22 PRO HGx 1.0 . 5.5 1063 658 A 22 PRO HDx A 22 PRO HGy 1.0 . 4.5 1064 658 A 22 PRO HDy A 22 PRO HGy 1.0 . 4.5 1065 658 A 22 PRO HGx A 22 PRO HDx 1.0 . 4.5 1066 658 A 22 PRO HGx A 22 PRO HDy 1.0 . 4.5 1067 659 A 22 PRO HBx A 22 PRO HGy 1.0 . 3.5 1068 659 A 22 PRO HBy A 22 PRO HGy 1.0 . 3.5 1069 659 A 22 PRO HGx A 22 PRO HBy 1.0 . 3.5 1070 659 A 22 PRO HBx A 22 PRO HGx 1.0 . 3.5 1071 660 A 21 PHE H A 22 PRO HDx 1.0 . 5.5 1072 660 A 22 PRO HDy A 21 PHE H 1.0 . 5.5 1073 661 A 22 PRO HBx A 22 PRO HDx 1.0 . 5.5 1074 661 A 22 PRO HBy A 22 PRO HDx 1.0 . 5.5 1075 661 A 22 PRO HDy A 22 PRO HBy 1.0 . 5.5 1076 661 A 22 PRO HBx A 22 PRO HDy 1.0 . 5.5 1077 662 A 22 PRO HDx A 22 PRO HGy 1.0 . 4.5 1078 662 A 22 PRO HDy A 22 PRO HGy 1.0 . 4.5 1079 662 A 22 PRO HGx A 22 PRO HDx 1.0 . 4.5 1080 662 A 22 PRO HGx A 22 PRO HDy 1.0 . 4.5 1081 663 A 21 PHE H A 21 PHE HBy 1.0 . 5.5 1082 663 A 21 PHE H A 21 PHE HBx 1.0 . 5.5 1083 664 A 20 GLU H A 20 GLU HA 1.0 . 5.5 1084 665 A 20 GLU HA A 23 LYS HEx 1.0 . 4.5 1085 665 A 23 LYS HEy A 20 GLU HA 1.0 . 4.5 1086 666 A 20 GLU HA A 20 GLU HBx 1.0 . 3.5 1087 666 A 20 GLU HBy A 20 GLU HA 1.0 . 3.5 1088 667 A 20 GLU HA A 20 GLU HGx 1.0 . 5.5 1089 667 A 20 GLU HGy A 20 GLU HA 1.0 . 5.5 1090 668 A 20 GLU H A 20 GLU HBx 1.0 . 5.5 1091 668 A 20 GLU H A 20 GLU HBy 1.0 . 5.5 1092 669 A 20 GLU HA A 20 GLU HBx 1.0 . 5.5 1093 669 A 20 GLU HBy A 20 GLU HA 1.0 . 5.5 1094 670 A 63 VAL HGx% A 99 LYS HBx 1.0 . 4.5 1095 670 A 63 VAL HGx% A 99 LYS HBy 1.0 . 4.5 1096 671 A 19 GLU H A 19 GLU HA 1.0 . 4.5 1097 672 A 19 GLU H A 19 GLU HBy 1.0 . 3.5 1098 672 A 19 GLU H A 19 GLU HBx 1.0 . 3.5 1099 673 A 20 GLU H A 19 GLU HBy 1.0 . 5.5 1100 673 A 20 GLU H A 19 GLU HBx 1.0 . 5.5 1101 674 A 19 GLU HA A 19 GLU HBy 1.0 . 4.5 1102 674 A 19 GLU HA A 19 GLU HBx 1.0 . 4.5 1103 675 A 16 ILE HA A 19 GLU HBy 1.0 . 4.5 1104 675 A 16 ILE HA A 19 GLU HBx 1.0 . 4.5 1105 676 A 79 LEU H A 79 LEU HA 1.0 . 5.5 1106 677 A 19 GLU H A 18 LYS HA 1.0 . 4.5 1107 678 A 18 LYS HA A 18 LYS H 1.0 . 4.5 1108 679 A 19 GLU H A 18 LYS HBx 1.0 . 3.5 1109 679 A 19 GLU H A 18 LYS HBy 1.0 . 3.5 1110 680 A 18 LYS H A 18 LYS HBx 1.0 . 2.8 1111 680 A 18 LYS HBy A 18 LYS H 1.0 . 2.8 1112 681 A 18 LYS H A 18 LYS HGx 1.0 . 5.5 1113 681 A 18 LYS HGy A 18 LYS H 1.0 . 5.5 1114 682 A 17 LEU H A 17 LEU HA 1.0 . 5.5 1115 683 A 17 LEU HA A 18 LYS H 1.0 . 5.5 1116 684 A 17 LEU HA A 20 GLU HBx 1.0 . 5.5 1117 684 A 17 LEU HA A 20 GLU HBy 1.0 . 5.5 1118 685 A 17 LEU HA A 17 LEU HBy 1.0 . 4.5 1119 685 A 17 LEU HBx A 17 LEU HA 1.0 . 4.5 1120 686 A 16 ILE HA A 16 ILE HB 1.0 . 5.5 1121 687 A 16 ILE HA A 16 ILE HG1y 1.0 . 4.5 1122 687 A 16 ILE HA A 16 ILE HG1x 1.0 . 4.5 1123 688 A 17 LEU H A 16 ILE HB 1.0 . 4.5 1124 689 A 16 ILE H A 16 ILE HB 1.0 . 4.5 1125 690 A 13 TYR HA A 16 ILE HB 1.0 . 5.5 1126 691 A 16 ILE HA A 16 ILE HB 1.0 . 5.5 1127 692 A 16 ILE HB A 16 ILE HG1y 1.0 . 4.5 1128 692 A 16 ILE HG1x A 16 ILE HB 1.0 . 4.5 1129 693 A 16 ILE H A 16 ILE HG1y 1.0 . 5.5 1130 693 A 16 ILE H A 16 ILE HG1x 1.0 . 5.5 1131 694 A 16 ILE HA A 16 ILE HG1y 1.0 . 3.5 1132 694 A 16 ILE HA A 16 ILE HG1x 1.0 . 3.5 1133 695 A 16 ILE HB A 16 ILE HG1y 1.0 . 5.5 1134 695 A 16 ILE HG1x A 16 ILE HB 1.0 . 5.5 1135 696 A 15 GLN HA A 18 LYS H 1.0 . 5.5 1136 697 A 16 ILE H A 15 GLN HA 1.0 . 5.5 1137 698 A 15 GLN H A 15 GLN HBx 1.0 . 2.8 1138 698 A 15 GLN H A 15 GLN HBy 1.0 . 2.8 1139 699 A 16 ILE H A 15 GLN HBx 1.0 . 4.5 1140 699 A 16 ILE H A 15 GLN HBy 1.0 . 4.5 1141 700 A 15 GLN HA A 15 GLN HBx 1.0 . 2.8 1142 700 A 15 GLN HA A 15 GLN HBy 1.0 . 2.8 1143 701 A 11 LYS HBx A 15 GLN HBx 1.0 . 5.5 1144 701 A 11 LYS HBy A 15 GLN HBx 1.0 . 5.5 1145 701 A 15 GLN HBy A 11 LYS HBx 1.0 . 5.5 1146 701 A 11 LYS HBy A 15 GLN HBy 1.0 . 5.5 1147 702 A 15 GLN H A 15 GLN HGx 1.0 . 4.5 1148 702 A 15 GLN H A 15 GLN HGy 1.0 . 4.5 1149 703 A 15 GLN HE2y A 15 GLN HGx 1.0 . 4.5 1150 703 A 15 GLN HE2x A 15 GLN HGx 1.0 . 4.5 1151 703 A 15 GLN HGy A 15 GLN HE2x 1.0 . 4.5 1152 703 A 15 GLN HGy A 15 GLN HE2y 1.0 . 4.5 1153 704 A 16 ILE H A 15 GLN HGx 1.0 . 5.5 1154 704 A 16 ILE H A 15 GLN HGy 1.0 . 5.5 1155 705 A 15 GLN HA A 15 GLN HGx 1.0 . 3.5 1156 705 A 15 GLN HA A 15 GLN HGy 1.0 . 3.5 1157 706 A 15 GLN HBy A 15 GLN HGx 1.0 . 2.8 1158 706 A 15 GLN HGy A 15 GLN HBx 1.0 . 2.8 1159 706 A 15 GLN HGy A 15 GLN HBy 1.0 . 2.8 1160 706 A 15 GLN HBx A 15 GLN HGx 1.0 . 2.8 1161 707 A 13 TYR HA A 13 TYR HBy 1.0 . 4.5 1162 707 A 13 TYR HA A 13 TYR HBx 1.0 . 4.5 1163 708 A 13 TYR HA A 16 ILE HB 1.0 . 5.5 1164 709 A 13 TYR HA A 13 TYR HBy 1.0 . 4.5 1165 709 A 13 TYR HA A 13 TYR HBx 1.0 . 4.5 1166 710 A 12 ASP H A 12 ASP HBy 1.0 . 4.5 1167 710 A 12 ASP H A 12 ASP HBx 1.0 . 4.5 1168 711 A 11 LYS HA A 11 LYS HGy 1.0 . 3.5 1169 711 A 11 LYS HA A 11 LYS HGx 1.0 . 3.5 1170 712 A 11 LYS H A 11 LYS HBx 1.0 . 3.5 1171 712 A 11 LYS HBy A 11 LYS H 1.0 . 3.5 1172 713 A 11 LYS HA A 11 LYS HBx 1.0 . 3.5 1173 713 A 11 LYS HA A 11 LYS HBy 1.0 . 3.5 1174 714 A 11 LYS HBy A 18 LYS HBx 1.0 . 5.5 1175 714 A 11 LYS HBx A 18 LYS HBx 1.0 . 5.5 1176 714 A 18 LYS HBy A 11 LYS HBx 1.0 . 5.5 1177 714 A 11 LYS HBy A 18 LYS HBy 1.0 . 5.5 1178 715 A 11 LYS HBx A 18 LYS HGx 1.0 . 5.5 1179 715 A 18 LYS HGy A 11 LYS HBx 1.0 . 5.5 1180 715 A 18 LYS HGy A 11 LYS HBy 1.0 . 5.5 1181 715 A 11 LYS HBy A 18 LYS HGx 1.0 . 5.5 1182 716 A 11 LYS HBx A 11 LYS HGy 1.0 . 2.8 1183 716 A 11 LYS HBy A 11 LYS HGy 1.0 . 2.8 1184 716 A 11 LYS HGx A 11 LYS HBx 1.0 . 2.8 1185 716 A 11 LYS HBy A 11 LYS HGx 1.0 . 2.8 1186 717 A 12 ASP H A 11 LYS HGy 1.0 . 5.5 1187 717 A 12 ASP H A 11 LYS HGx 1.0 . 5.5 1188 718 A 11 LYS HA A 11 LYS HGy 1.0 . 5.5 1189 718 A 11 LYS HA A 11 LYS HGx 1.0 . 5.5 1190 719 A 119 ILE H A 119 ILE HG1x 1.0 . 5.5 1191 719 A 119 ILE H A 119 ILE HG1y 1.0 . 5.5 1192 720 A 119 ILE HA A 119 ILE HG1x 1.0 . 4.5 1193 720 A 119 ILE HA A 119 ILE HG1y 1.0 . 4.5 1194 721 A 71 LYS HDy A 71 LYS HEx 1.0 . 4.5 1195 721 A 71 LYS HEy A 71 LYS HDx 1.0 . 4.5 1196 721 A 71 LYS HEy A 71 LYS HDy 1.0 . 4.5 1197 721 A 71 LYS HDx A 71 LYS HEx 1.0 . 4.5 1198 722 A 119 ILE HB A 119 ILE HG1x 1.0 . 2.8 1199 722 A 119 ILE HB A 119 ILE HG1y 1.0 . 2.8 1200 723 A 11 LYS HEy A 11 LYS HGy 1.0 . 4.5 1201 723 A 11 LYS HEx A 11 LYS HGy 1.0 . 4.5 1202 723 A 11 LYS HGx A 11 LYS HEy 1.0 . 4.5 1203 723 A 11 LYS HEx A 11 LYS HGx 1.0 . 4.5 1204 724 A 10 ASP H A 10 ASP HA 1.0 . 4.5 1205 725 A 11 LYS H A 10 ASP HA 1.0 . 4.5 1206 726 A 10 ASP H A 10 ASP HBx 1.0 . 3.5 1207 726 A 10 ASP HBy A 10 ASP H 1.0 . 3.5 1208 727 A 10 ASP HA A 10 ASP HBx 1.0 . 2.8 1209 727 A 10 ASP HBy A 10 ASP HA 1.0 . 2.8 1210 728 A 10 ASP H A 9 ALA HA 1.0 . 2.8 1211 729 A 9 ALA HA A 10 ASP HBx 1.0 . 5.5 1212 729 A 10 ASP HBy A 9 ALA HA 1.0 . 5.5 1213 730 A 9 ALA HB% A 9 ALA HA 1.0 . 2.8 1214 731 A 9 ALA HB% A 9 ALA H 1.0 . 2.8 1215 732 A 9 ALA HB% A 11 LYS H 1.0 . 4.5 1216 733 A 9 ALA HB% A 9 ALA HA 1.0 . 2.8 1217 734 A 9 ALA HB% A 15 GLN HBx 1.0 . 5.5 1218 734 A 9 ALA HB% A 15 GLN HBy 1.0 . 5.5 1219 735 A 8 LYS HA A 9 ALA H 1.0 . 3.5 1220 736 A 8 LYS HA A 8 LYS HBy 1.0 . 2.8 1221 736 A 8 LYS HA A 8 LYS HBx 1.0 . 2.8 1222 737 A 8 LYS H A 8 LYS HBy 1.0 . 4.5 1223 737 A 8 LYS HBx A 8 LYS H 1.0 . 4.5 1224 738 A 8 LYS H A 8 LYS HGy 1.0 . 5.5 1225 738 A 8 LYS HGx A 8 LYS H 1.0 . 5.5 1226 739 A 8 LYS HA A 8 LYS HGy 1.0 . 4.5 1227 739 A 8 LYS HA A 8 LYS HGx 1.0 . 4.5 1228 740 A 90 LYS HA A 90 LYS HDy 1.0 . 4.5 1229 740 A 90 LYS HA A 90 LYS HDx 1.0 . 4.5 1230 741 A 8 LYS H A 7 ILE HA 1.0 . 2.8 1231 742 A 6 PRO HA A 7 ILE HA 1.0 . 5.5 1232 743 A 7 ILE HB A 7 ILE H 1.0 . 4.5 1233 744 A 7 ILE HA A 7 ILE HB 1.0 . 4.5 1234 745 A 7 ILE HB A 7 ILE HG1y 1.0 . 4.5 1235 745 A 7 ILE HB A 7 ILE HG1x 1.0 . 4.5 1236 746 A 7 ILE H A 7 ILE HG1y 1.0 . 5.5 1237 746 A 7 ILE H A 7 ILE HG1x 1.0 . 5.5 1238 747 A 7 ILE HA A 7 ILE HG1y 1.0 . 5.5 1239 747 A 7 ILE HA A 7 ILE HG1x 1.0 . 5.5 1240 748 A 7 ILE HB A 7 ILE HG1y 1.0 . 4.5 1241 748 A 7 ILE HB A 7 ILE HG1x 1.0 . 4.5 1242 749 A 6 PRO HA A 7 ILE H 1.0 . 2.8 1243 750 A 6 PRO HA A 6 PRO HBy 1.0 . 2.8 1244 750 A 6 PRO HA A 6 PRO HBx 1.0 . 2.8 1245 751 A 6 PRO HA A 6 PRO HGx 1.0 . 5.5 1246 751 A 6 PRO HGy A 6 PRO HA 1.0 . 5.5 1247 752 A 6 PRO HA A 7 ILE HG1y 1.0 . 5.5 1248 752 A 6 PRO HA A 7 ILE HG1x 1.0 . 5.5 1249 753 A 93 ILE H A 90 LYS HBy 1.0 . 5.5 1250 753 A 93 ILE H A 90 LYS HBx 1.0 . 5.5 1251 754 A 125 VAL HGx% A 90 LYS HBy 1.0 . 4.5 1252 754 A 125 VAL HGx% A 90 LYS HBx 1.0 . 4.5 1253 755 A 41 VAL HB A 45 LYS HBy 1.0 . 5.5 1254 755 A 45 LYS HBx A 41 VAL HB 1.0 . 5.5 1255 756 A 6 PRO HA A 6 PRO HGx 1.0 . 5.5 1256 756 A 6 PRO HGy A 6 PRO HA 1.0 . 5.5 1257 757 A 6 PRO HDx A 6 PRO HGx 1.0 . 2.8 1258 757 A 6 PRO HDy A 6 PRO HGx 1.0 . 2.8 1259 757 A 6 PRO HGy A 6 PRO HDy 1.0 . 2.8 1260 757 A 6 PRO HGy A 6 PRO HDx 1.0 . 2.8 1261 758 A 6 PRO HGy A 8 LYS HEx 1.0 . 5.5 1262 758 A 6 PRO HGx A 8 LYS HEx 1.0 . 5.5 1263 758 A 8 LYS HEy A 6 PRO HGx 1.0 . 5.5 1264 758 A 8 LYS HEy A 6 PRO HGy 1.0 . 5.5 1265 759 A 6 PRO HDx A 6 PRO HGx 1.0 . 4.5 1266 759 A 6 PRO HDy A 6 PRO HGx 1.0 . 4.5 1267 759 A 6 PRO HGy A 6 PRO HDy 1.0 . 4.5 1268 759 A 6 PRO HGy A 6 PRO HDx 1.0 . 4.5 1269 760 A 29 GLN HA A 29 GLN HBx 1.0 . 2.8 1270 760 A 29 GLN HBy A 29 GLN HA 1.0 . 2.8 1271 761 A 29 GLN HE2x A 29 GLN HGy 1.0 . 5.5 1272 761 A 29 GLN HE2y A 29 GLN HGy 1.0 . 5.5 1273 761 A 29 GLN HGx A 29 GLN HE2y 1.0 . 5.5 1274 761 A 29 GLN HE2x A 29 GLN HGx 1.0 . 5.5 1275 762 A 29 GLN H A 29 GLN HGy 1.0 . 4.5 1276 762 A 29 GLN H A 29 GLN HGx 1.0 . 4.5 1277 763 A 26 SER HA A 29 GLN HGy 1.0 . 5.5 1278 763 A 26 SER HA A 29 GLN HGx 1.0 . 5.5 1279 764 A 29 GLN HBy A 29 GLN HGy 1.0 . 2.8 1280 764 A 29 GLN HBx A 29 GLN HGy 1.0 . 2.8 1281 764 A 29 GLN HGx A 29 GLN HBx 1.0 . 2.8 1282 764 A 29 GLN HBy A 29 GLN HGx 1.0 . 2.8 1283 765 A 15 GLN HA A 18 LYS HGx 1.0 . 2.8 1284 765 A 18 LYS HGy A 15 GLN HA 1.0 . 2.8 1285 766 A 71 LYS H A 71 LYS HGx 1.0 . 5.5 1286 766 A 71 LYS H A 71 LYS HGy 1.0 . 5.5 1287 767 A 71 LYS HA A 71 LYS HGx 1.0 . 4.5 1288 767 A 71 LYS HGy A 71 LYS HA 1.0 . 4.5 1289 768 A 71 LYS HBy A 71 LYS HGx 1.0 . 4.5 1290 768 A 71 LYS HBx A 71 LYS HGx 1.0 . 4.5 1291 768 A 71 LYS HGy A 71 LYS HBy 1.0 . 4.5 1292 768 A 71 LYS HGy A 71 LYS HBx 1.0 . 4.5 1293 769 A 71 LYS HDx A 71 LYS HGx 1.0 . 2.8 1294 769 A 71 LYS HDy A 71 LYS HGx 1.0 . 2.8 1295 769 A 71 LYS HGy A 71 LYS HDx 1.0 . 2.8 1296 769 A 71 LYS HDy A 71 LYS HGy 1.0 . 2.8 1297 770 A 71 LYS HA A 71 LYS HDx 1.0 . 5.5 1298 770 A 71 LYS HDy A 71 LYS HA 1.0 . 5.5 1299 771 A 71 LYS HDy A 71 LYS HEx 1.0 . 3.5 1300 771 A 71 LYS HEy A 71 LYS HDx 1.0 . 3.5 1301 771 A 71 LYS HEy A 71 LYS HDy 1.0 . 3.5 1302 771 A 71 LYS HDx A 71 LYS HEx 1.0 . 3.5 1303 772 A 99 LYS H A 99 LYS HBx 1.0 . 5.5 1304 772 A 99 LYS HBy A 99 LYS H 1.0 . 5.5 1305 773 A 108 LYS HA A 108 LYS HDx 1.0 . 5.5 1306 773 A 108 LYS HA A 108 LYS HDy 1.0 . 5.5 1307 774 A 108 LYS HDy A 108 LYS HEx 1.0 . 2.8 1308 774 A 108 LYS HDx A 108 LYS HEx 1.0 . 2.8 1309 774 A 108 LYS HEy A 108 LYS HDx 1.0 . 2.8 1310 774 A 108 LYS HDy A 108 LYS HEy 1.0 . 2.8 1311 775 A 108 LYS HBy A 108 LYS HDx 1.0 . 2.8 1312 775 A 108 LYS HBx A 108 LYS HDx 1.0 . 2.8 1313 775 A 108 LYS HDy A 108 LYS HBy 1.0 . 2.8 1314 775 A 108 LYS HBx A 108 LYS HDy 1.0 . 2.8 1315 776 A 108 LYS HDy A 108 LYS HGy 1.0 . 2.8 1316 776 A 108 LYS HGx A 108 LYS HDx 1.0 . 2.8 1317 776 A 108 LYS HGx A 108 LYS HDy 1.0 . 2.8 1318 776 A 108 LYS HDx A 108 LYS HGy 1.0 . 2.8 1319 777 A 108 LYS HDy A 108 LYS HEx 1.0 . 2.8 1320 777 A 108 LYS HDx A 108 LYS HEx 1.0 . 2.8 1321 777 A 108 LYS HEy A 108 LYS HDx 1.0 . 2.8 1322 777 A 108 LYS HDy A 108 LYS HEy 1.0 . 2.8 1323 778 A 108 LYS HEy A 108 LYS HGy 1.0 . 3.5 1324 778 A 108 LYS HEx A 108 LYS HGy 1.0 . 3.5 1325 778 A 108 LYS HGx A 108 LYS HEx 1.0 . 3.5 1326 778 A 108 LYS HGx A 108 LYS HEy 1.0 . 3.5 1327 779 A 120 GLU HA A 120 GLU HGx 1.0 . 4.5 1328 779 A 120 GLU HA A 120 GLU HGy 1.0 . 4.5 1329 780 A 120 GLU HGx A 123 ARG HBy 1.0 . 3.5 1330 780 A 120 GLU HGy A 123 ARG HBy 1.0 . 3.5 1331 780 A 123 ARG HBx A 120 GLU HGx 1.0 . 3.5 1332 780 A 123 ARG HBx A 120 GLU HGy 1.0 . 3.5 1333 781 A 122 ILE H A 121 THR HB 1.0 . 5.5 1334 782 A 121 THR H A 121 THR HB 1.0 . 5.5 1335 783 A 134 VAL H A 133 GLU HBy 1.0 . 5.5 1336 783 A 134 VAL H A 133 GLU HBx 1.0 . 5.5 1337 784 A 59 LEU H A 59 LEU HG 1.0 . 4.5 1338 785 A 61 LYS HBy A 61 LYS HDy 1.0 . 5.5 1339 785 A 61 LYS HBx A 61 LYS HDy 1.0 . 5.5 1340 785 A 61 LYS HDx A 61 LYS HBy 1.0 . 5.5 1341 785 A 61 LYS HBx A 61 LYS HDx 1.0 . 5.5 1342 786 A 61 LYS HDy A 61 LYS HEy 1.0 . 4.5 1343 786 A 61 LYS HDx A 61 LYS HEy 1.0 . 4.5 1344 786 A 61 LYS HEx A 61 LYS HDy 1.0 . 4.5 1345 786 A 61 LYS HDx A 61 LYS HEx 1.0 . 4.5 1346 787 A 61 LYS HA A 61 LYS HDy 1.0 . 4.5 1347 787 A 61 LYS HA A 61 LYS HDx 1.0 . 4.5 1348 788 A 58 VAL HB A 61 LYS HEy 1.0 . 4.5 1349 788 A 58 VAL HB A 61 LYS HEx 1.0 . 4.5 1350 789 A 61 LYS HDy A 61 LYS HEy 1.0 . 2.8 1351 789 A 61 LYS HDx A 61 LYS HEy 1.0 . 2.8 1352 789 A 61 LYS HEx A 61 LYS HDy 1.0 . 2.8 1353 789 A 61 LYS HDx A 61 LYS HEx 1.0 . 2.8 1354 790 A 61 LYS HEx A 61 LYS HGx 1.0 . 4.5 1355 790 A 61 LYS HEy A 61 LYS HGx 1.0 . 4.5 1356 790 A 61 LYS HGy A 61 LYS HEy 1.0 . 4.5 1357 790 A 61 LYS HEx A 61 LYS HGy 1.0 . 4.5 1358 791 A 65 LEU HG A 36 LEU HBy 1.0 . 4.5 1359 791 A 36 LEU HBx A 65 LEU HG 1.0 . 4.5 1360 792 A 39 LEU HG A 65 LEU HG 1.0 . 5.5 1361 793 A 65 LEU HG A 65 LEU HBy 1.0 . 3.5 1362 793 A 65 LEU HBx A 65 LEU HG 1.0 . 3.5 1363 794 A 75 LEU HG A 75 LEU H 1.0 . 5.5 1364 795 A 75 LEU HG A 63 VAL HA 1.0 . 5.5 1365 796 A 75 LEU HG A 67 ALA HA 1.0 . 4.5 1366 797 A 104 LEU HG A 75 LEU HG 1.0 . 3.5 1367 798 A 100 VAL HGy% A 75 LEU HG 1.0 . 3.5 1368 799 A 75 LEU HG A 63 VAL HGy% 1.0 . 2.8 1369 800 A 75 LEU HG A 63 VAL HGx% 1.0 . 2.8 1370 801 A 67 ALA HB% A 75 LEU HG 1.0 . 3.5 1371 802 A 77 GLU HGy A 84 LYS HGx 1.0 . 5.5 1372 802 A 77 GLU HGx A 84 LYS HGx 1.0 . 5.5 1373 802 A 84 LYS HGy A 77 GLU HGx 1.0 . 5.5 1374 802 A 84 LYS HGy A 77 GLU HGy 1.0 . 5.5 1375 803 A 78 GLN H A 78 GLN HGy 1.0 . 5.5 1376 803 A 78 GLN H A 78 GLN HGx 1.0 . 5.5 1377 804 A 81 LEU H A 81 LEU HG 1.0 . 4.5 1378 805 A 81 LEU HA A 84 LYS HDx 1.0 . 4.5 1379 805 A 81 LEU HA A 84 LYS HDy 1.0 . 4.5 1380 806 A 90 LYS HDx A 94 GLN HGy 1.0 . 5.5 1381 806 A 90 LYS HDy A 94 GLN HGy 1.0 . 5.5 1382 806 A 94 GLN HGx A 90 LYS HDy 1.0 . 5.5 1383 806 A 94 GLN HGx A 90 LYS HDx 1.0 . 5.5 1384 807 A 11 LYS HGy A 15 GLN HBx 1.0 . 2.8 1385 807 A 11 LYS HGx A 15 GLN HBx 1.0 . 2.8 1386 807 A 15 GLN HBy A 11 LYS HGy 1.0 . 2.8 1387 807 A 15 GLN HBy A 11 LYS HGx 1.0 . 2.8 1388 808 A 99 LYS H A 99 LYS HGy 1.0 . 4.5 1389 808 A 99 LYS HGx A 99 LYS H 1.0 . 4.5 1390 809 A 60 ALA HA A 99 LYS HGy 1.0 . 4.5 1391 809 A 99 LYS HGx A 60 ALA HA 1.0 . 4.5 1392 810 A 99 LYS HBy A 99 LYS HGy 1.0 . 4.5 1393 810 A 99 LYS HBx A 99 LYS HGy 1.0 . 4.5 1394 810 A 99 LYS HGx A 99 LYS HBx 1.0 . 4.5 1395 810 A 99 LYS HBy A 99 LYS HGx 1.0 . 4.5 1396 811 A 60 ALA HB% A 99 LYS HGy 1.0 . 4.5 1397 811 A 99 LYS HGx A 60 ALA HB% 1.0 . 4.5 1398 812 A 99 LYS HDx A 99 LYS HGy 1.0 . 4.5 1399 812 A 99 LYS HDy A 99 LYS HGy 1.0 . 4.5 1400 812 A 99 LYS HGx A 99 LYS HDx 1.0 . 4.5 1401 812 A 99 LYS HDy A 99 LYS HGx 1.0 . 4.5 1402 813 A 99 LYS HDy A 99 LYS HEy 1.0 . 5.5 1403 813 A 99 LYS HDx A 99 LYS HEy 1.0 . 5.5 1404 813 A 99 LYS HEx A 99 LYS HDx 1.0 . 5.5 1405 813 A 99 LYS HDy A 99 LYS HEx 1.0 . 5.5 1406 814 A 99 LYS HA A 99 LYS HDx 1.0 . 3.5 1407 814 A 99 LYS HA A 99 LYS HDy 1.0 . 3.5 1408 815 A 60 ALA H A 59 LEU HBx 1.0 . 5.5 1409 815 A 60 ALA H A 59 LEU HBy 1.0 . 5.5 1410 816 A 59 LEU H A 59 LEU HBx 1.0 . 5.5 1411 816 A 59 LEU H A 59 LEU HBy 1.0 . 5.5 1412 817 A 17 LEU HG A 17 LEU HA 1.0 . 4.5 1413 818 A 41 VAL HB A 37 ASP HA 1.0 . 4.5 1414 819 A 20 GLU HBy A 21 PHE HBy 1.0 . 5.5 1415 819 A 20 GLU HBx A 21 PHE HBy 1.0 . 5.5 1416 819 A 21 PHE HBx A 20 GLU HBx 1.0 . 5.5 1417 819 A 20 GLU HBy A 21 PHE HBx 1.0 . 5.5 1418 820 A 125 VAL HA A 125 VAL HB 1.0 . 4.5 1419 821 A 21 PHE HA A 22 PRO HDx 1.0 . 5.5 1420 821 A 22 PRO HDy A 21 PHE HA 1.0 . 5.5 1421 822 A 23 LYS H A 22 PRO HDx 1.0 . 5.5 1422 822 A 23 LYS H A 22 PRO HDy 1.0 . 5.5 1423 823 A 23 LYS HA A 26 SER H 1.0 . 5.5 1424 824 A 23 LYS HA A 22 PRO HBy 1.0 . 4.5 1425 824 A 23 LYS HA A 22 PRO HBx 1.0 . 4.5 1426 825 A 20 GLU HA A 23 LYS HBy 1.0 . 5.5 1427 825 A 23 LYS HBx A 20 GLU HA 1.0 . 5.5 1428 826 A 23 LYS HBy A 23 LYS HDx 1.0 . 4.5 1429 826 A 23 LYS HBx A 23 LYS HDx 1.0 . 4.5 1430 826 A 23 LYS HDy A 23 LYS HBy 1.0 . 4.5 1431 826 A 23 LYS HBx A 23 LYS HDy 1.0 . 4.5 1432 827 A 83 SER HBx A 90 LYS HEx 1.0 . 4.5 1433 827 A 83 SER HBy A 90 LYS HEx 1.0 . 4.5 1434 827 A 90 LYS HEy A 83 SER HBx 1.0 . 4.5 1435 827 A 83 SER HBy A 90 LYS HEy 1.0 . 4.5 1436 828 A 27 LEU HG A 24 ILE HB 1.0 . 5.5 1437 829 A 25 ASP HA A 25 ASP HBy 1.0 . 4.5 1438 829 A 25 ASP HBx A 25 ASP HA 1.0 . 4.5 1439 830 A 35 ALA HB% A 32 CYS HA 1.0 . 3.5 1440 831 A 28 ALA HB% A 32 CYS HA 1.0 . 4.5 1441 832 A 27 LEU HG A 32 CYS HA 1.0 . 3.5 1442 833 A 28 ALA HB% A 29 GLN HGy 1.0 . 4.5 1443 833 A 28 ALA HB% A 29 GLN HGx 1.0 . 4.5 1444 834 A 95 TYR HA A 98 GLN HGy 1.0 . 5.5 1445 834 A 95 TYR HA A 98 GLN HGx 1.0 . 5.5 1446 835 A 98 GLN HE2y A 98 GLN HGy 1.0 . 5.5 1447 835 A 98 GLN HE2x A 98 GLN HGy 1.0 . 5.5 1448 835 A 98 GLN HGx A 98 GLN HE2y 1.0 . 5.5 1449 835 A 98 GLN HGx A 98 GLN HE2x 1.0 . 5.5 1450 836 A 30 ASN H A 30 ASN HA 1.0 . 5.5 1451 837 A 30 ASN HA A 30 ASN HBy 1.0 . 5.5 1452 837 A 30 ASN HBx A 30 ASN HA 1.0 . 5.5 1453 838 A 30 ASN HBx A 30 ASN HD2y 1.0 . 5.5 1454 838 A 30 ASN HBy A 30 ASN HD2y 1.0 . 5.5 1455 838 A 30 ASN HD2x A 30 ASN HBy 1.0 . 5.5 1456 838 A 30 ASN HBx A 30 ASN HD2x 1.0 . 5.5 1457 839 A 34 SER H A 34 SER HBx 1.0 . 4.5 1458 839 A 34 SER H A 34 SER HBy 1.0 . 4.5 1459 840 A 35 ALA HA A 38 GLN HBx 1.0 . 4.5 1460 840 A 35 ALA HA A 38 GLN HBy 1.0 . 4.5 1461 841 A 39 LEU HG A 36 LEU HA 1.0 . 4.5 1462 842 A 37 ASP H A 36 LEU HBy 1.0 . 5.5 1463 842 A 37 ASP H A 36 LEU HBx 1.0 . 5.5 1464 843 A 38 GLN HA A 38 GLN HGx 1.0 . 3.5 1465 843 A 38 GLN HGy A 38 GLN HA 1.0 . 3.5 1466 844 A 41 VAL HB A 38 GLN HA 1.0 . 2.8 1467 845 A 82 LEU HA A 84 LYS HEx 1.0 . 5.5 1468 845 A 84 LYS HEy A 82 LEU HA 1.0 . 5.5 1469 846 A 75 LEU HA A 75 LEU HBy 1.0 . 4.5 1470 846 A 75 LEU HA A 75 LEU HBx 1.0 . 4.5 1471 847 A 40 LEU HG A 40 LEU H 1.0 . 4.5 1472 848 A 42 LEU H A 41 VAL HA 1.0 . 5.5 1473 849 A 6 PRO HBx A 6 PRO HDy 1.0 . 4.5 1474 849 A 6 PRO HBy A 6 PRO HDy 1.0 . 4.5 1475 849 A 6 PRO HDx A 6 PRO HBy 1.0 . 4.5 1476 849 A 6 PRO HBx A 6 PRO HDx 1.0 . 4.5 1477 850 A 41 VAL HB A 41 VAL HGy% 1.0 . 2.8 1478 851 A 41 VAL HGx% A 42 LEU HA 1.0 . 4.5 1479 852 A 37 ASP H A 36 LEU HA 1.0 . 5.5 1480 853 A 42 LEU HG A 42 LEU HA 1.0 . 4.5 1481 854 A 43 GLU HA A 58 VAL HGy% 1.0 . 5.5 1482 855 A 43 GLU HA A 43 GLU HBx 1.0 . 5.5 1483 855 A 43 GLU HA A 43 GLU HBy 1.0 . 5.5 1484 856 A 43 GLU HA A 43 GLU HGy 1.0 . 5.5 1485 856 A 43 GLU HA A 43 GLU HGx 1.0 . 5.5 1486 857 A 43 GLU HBx A 43 GLU HGy 1.0 . 5.5 1487 857 A 43 GLU HBy A 43 GLU HGy 1.0 . 5.5 1488 857 A 43 GLU HGx A 43 GLU HBx 1.0 . 5.5 1489 857 A 43 GLU HGx A 43 GLU HBy 1.0 . 5.5 1490 858 A 43 GLU H A 43 GLU HGy 1.0 . 5.5 1491 858 A 43 GLU HGx A 43 GLU H 1.0 . 5.5 1492 859 A 17 LEU HG A 17 LEU HBy 1.0 . 4.5 1493 859 A 17 LEU HG A 17 LEU HBx 1.0 . 4.5 1494 860 A 20 GLU H A 17 LEU HA 1.0 . 5.5 1495 861 A 17 LEU HA A 21 PHE H 1.0 . 5.5 1496 862 A 16 ILE HA A 19 GLU HGx 1.0 . 4.5 1497 862 A 19 GLU HGy A 16 ILE HA 1.0 . 4.5 1498 863 A 7 ILE HA A 7 ILE HG1y 1.0 . 4.5 1499 863 A 7 ILE HA A 7 ILE HG1x 1.0 . 4.5 1500 864 A 7 ILE HA A 7 ILE HB 1.0 . 3.5 1501 865 A 7 ILE HA A 8 LYS HEx 1.0 . 5.5 1502 865 A 8 LYS HEy A 7 ILE HA 1.0 . 5.5 1503 866 A 7 ILE HA A 7 ILE H 1.0 . 3.5 1504 867 A 81 LEU HA A 84 LYS HDx 1.0 . 4.5 1505 867 A 81 LEU HA A 84 LYS HDy 1.0 . 4.5 1506 868 A 9 ALA HA A 9 ALA H 1.0 . 3.5 1507 869 A 13 TYR H A 13 TYR HBy 1.0 . 5.5 1508 869 A 13 TYR HBx A 13 TYR H 1.0 . 5.5 1509 870 A 81 LEU HA A 84 LYS H 1.0 . 5.5 1510 871 A 81 LEU HA A 47 ARG HBy 1.0 . 4.5 1511 871 A 81 LEU HA A 47 ARG HBx 1.0 . 4.5 1512 872 A 76 ASN HA A 79 LEU HBy 1.0 . 5.5 1513 872 A 76 ASN HA A 79 LEU HBx 1.0 . 5.5 1514 873 A 52 LEU HG A 52 LEU HBy 1.0 . 3.5 1515 873 A 52 LEU HBx A 52 LEU HG 1.0 . 3.5 1516 874 A 53 ALA HA A 54 SER H 1.0 . 5.5 1517 875 A 59 LEU H A 58 VAL HB 1.0 . 5.5 1518 876 A 58 VAL HA A 58 VAL HB 1.0 . 5.5 1519 877 A 16 ILE HG1y A 17 LEU HBy 1.0 . 5.5 1520 877 A 17 LEU HBx A 16 ILE HG1y 1.0 . 5.5 1521 877 A 16 ILE HG1x A 17 LEU HBx 1.0 . 5.5 1522 877 A 16 ILE HG1x A 17 LEU HBy 1.0 . 5.5 1523 878 A 60 ALA HB% A 99 LYS HGy 1.0 . 4.5 1524 878 A 99 LYS HGx A 60 ALA HB% 1.0 . 4.5 1525 879 A 62 ILE HA A 66 LEU HBx 1.0 . 5.5 1526 879 A 62 ILE HA A 66 LEU HBy 1.0 . 5.5 1527 880 A 63 VAL H A 62 ILE HB 1.0 . 5.5 1528 881 A 64 ASP H A 63 VAL HA 1.0 . 5.5 1529 882 A 65 LEU HA A 65 LEU HBy 1.0 . 5.5 1530 882 A 65 LEU HA A 65 LEU HBx 1.0 . 5.5 1531 883 A 75 LEU HG A 67 ALA H 1.0 . 5.5 1532 884 A 75 LEU HG A 75 LEU HBy 1.0 . 4.5 1533 884 A 75 LEU HG A 75 LEU HBx 1.0 . 4.5 1534 885 A 69 ARG HA A 69 ARG HBy 1.0 . 5.5 1535 885 A 69 ARG HA A 69 ARG HBx 1.0 . 5.5 1536 886 A 77 GLU HA A 77 GLU HGx 1.0 . 3.5 1537 886 A 77 GLU HGy A 77 GLU HA 1.0 . 3.5 1538 887 A 135 GLU HA A 135 GLU HBy 1.0 . 3.5 1539 887 A 135 GLU HA A 135 GLU HBx 1.0 . 3.5 1540 888 A 85 LYS HA A 86 HIS H 1.0 . 3.5 1541 889 A 85 LYS H A 85 LYS HBy 1.0 . 5.5 1542 889 A 85 LYS H A 85 LYS HBx 1.0 . 5.5 1543 890 A 90 LYS H A 89 LEU HG 1.0 . 5.5 1544 891 A 91 LEU H A 90 LYS HBy 1.0 . 5.5 1545 891 A 91 LEU H A 90 LYS HBx 1.0 . 5.5 1546 892 A 90 LYS HBx A 90 LYS HGy 1.0 . 2.8 1547 892 A 90 LYS HGx A 90 LYS HBy 1.0 . 2.8 1548 892 A 90 LYS HGx A 90 LYS HBx 1.0 . 2.8 1549 892 A 90 LYS HBy A 90 LYS HGy 1.0 . 2.8 1550 893 A 93 ILE HB A 93 ILE HG1y 1.0 . 5.5 1551 893 A 93 ILE HB A 93 ILE HG1x 1.0 . 5.5 1552 894 A 92 SER H A 94 GLN HGy 1.0 . 5.5 1553 894 A 94 GLN HGx A 92 SER H 1.0 . 5.5 1554 895 A 94 GLN HE2x A 94 GLN HGy 1.0 . 5.5 1555 895 A 94 GLN HE2y A 94 GLN HGy 1.0 . 5.5 1556 895 A 94 GLN HGx A 94 GLN HE2y 1.0 . 5.5 1557 895 A 94 GLN HGx A 94 GLN HE2x 1.0 . 5.5 1558 896 A 97 ILE HA A 99 LYS H 1.0 . 5.5 1559 897 A 99 LYS HA A 99 LYS HGy 1.0 . 5.5 1560 897 A 99 LYS HA A 99 LYS HGx 1.0 . 5.5 1561 898 A 99 LYS HA A 99 LYS HBx 1.0 . 5.5 1562 898 A 99 LYS HA A 99 LYS HBy 1.0 . 5.5 1563 899 A 101 MET HA A 101 MET HBy 1.0 . 4.5 1564 899 A 101 MET HA A 101 MET HBx 1.0 . 4.5 1565 900 A 104 LEU H A 103 TYR HA 1.0 . 5.5 1566 901 A 104 LEU H A 103 TYR HBy 1.0 . 5.5 1567 901 A 104 LEU H A 103 TYR HBx 1.0 . 5.5 1568 902 A 105 LYS HA A 105 LYS HGy 1.0 . 5.5 1569 902 A 105 LYS HA A 105 LYS HGx 1.0 . 5.5 1570 903 A 107 SER HA A 107 SER H 1.0 . 5.5 1571 904 A 108 LYS H A 107 SER HA 1.0 . 4.5 1572 905 A 107 SER HA A 107 SER HBy 1.0 . 3.5 1573 905 A 107 SER HA A 107 SER HBx 1.0 . 3.5 1574 906 A 107 SER H A 107 SER HBy 1.0 . 3.5 1575 906 A 107 SER H A 107 SER HBx 1.0 . 3.5 1576 907 A 133 GLU H A 132 VAL HB 1.0 . 5.5 1577 908 A 108 LYS HEy A 108 LYS HGy 1.0 . 4.5 1578 908 A 108 LYS HEx A 108 LYS HGy 1.0 . 4.5 1579 908 A 108 LYS HGx A 108 LYS HEx 1.0 . 4.5 1580 908 A 108 LYS HGx A 108 LYS HEy 1.0 . 4.5 1581 909 A 111 ASP H A 110 LEU HG 1.0 . 5.5 1582 910 A 90 LYS HDx A 90 LYS HEx 1.0 . 2.8 1583 910 A 90 LYS HEy A 90 LYS HDy 1.0 . 2.8 1584 910 A 90 LYS HDx A 90 LYS HEy 1.0 . 2.8 1585 910 A 90 LYS HDy A 90 LYS HEx 1.0 . 2.8 1586 911 A 118 VAL HB A 115 ARG HA 1.0 . 5.5 1587 912 A 115 ARG HA A 115 ARG HGx 1.0 . 5.5 1588 912 A 115 ARG HGy A 115 ARG HA 1.0 . 5.5 1589 913 A 115 ARG HE A 115 ARG HDx 1.0 . 4.5 1590 913 A 115 ARG HE A 115 ARG HDy 1.0 . 4.5 1591 914 A 115 ARG H A 115 ARG HDx 1.0 . 5.5 1592 914 A 115 ARG H A 115 ARG HDy 1.0 . 5.5 1593 915 A 115 ARG HH2% A 115 ARG HDx 1.0 . 5.5 1594 915 A 115 ARG HH2% A 115 ARG HDy 1.0 . 5.5 1595 916 A 115 ARG HBy A 115 ARG HDx 1.0 . 4.5 1596 916 A 115 ARG HBx A 115 ARG HDx 1.0 . 4.5 1597 916 A 115 ARG HDy A 115 ARG HBy 1.0 . 4.5 1598 916 A 115 ARG HBx A 115 ARG HDy 1.0 . 4.5 1599 917 A 119 ILE H A 116 ILE HA 1.0 . 4.5 1600 918 A 118 VAL H A 117 SER HA 1.0 . 5.5 1601 919 A 118 VAL HA A 118 VAL HB 1.0 . 5.5 1602 920 A 115 ARG HE A 118 VAL HGx% 1.0 . 5.5 1603 921 A 118 VAL HGy% A 115 ARG HA 1.0 . 5.5 1604 922 A 118 VAL HGy% A 104 LEU HA 1.0 . 5.5 1605 923 A 118 VAL HGy% A 114 THR HA 1.0 . 5.5 1606 924 A 119 ILE HA A 120 GLU H 1.0 . 5.5 1607 925 A 121 THR H A 120 GLU HBy 1.0 . 5.5 1608 925 A 120 GLU HBx A 121 THR H 1.0 . 5.5 1609 926 A 122 ILE HB A 118 VAL HGy% 1.0 . 5.5 1610 927 A 44 LYS HA A 47 ARG H 1.0 . 5.5 1611 928 A 123 ARG H A 123 ARG HGy 1.0 . 5.5 1612 928 A 123 ARG H A 123 ARG HGx 1.0 . 5.5 1613 929 A 104 LEU HG A 75 LEU H 1.0 . 5.5 1614 930 A 125 VAL HA A 125 VAL H 1.0 . 5.5 1615 931 A 129 LYS HA A 130 ILE H 1.0 . 4.5 1616 932 A 19 GLU H A 19 GLU HGx 1.0 . 5.5 1617 932 A 19 GLU HGy A 19 GLU H 1.0 . 5.5 1618 933 A 134 VAL H A 134 VAL HGx% 1.0 . 5.5 1619 934 A 135 GLU HA A 135 GLU H 1.0 . 3.5 1620 935 A 136 ARG HA A 136 ARG H 1.0 . 4.5 1621 936 A 136 ARG HA A 136 ARG HGx 1.0 . 3.5 1622 936 A 136 ARG HA A 136 ARG HGy 1.0 . 3.5 1623 937 A 122 ILE H A 118 VAL HGx% 1.0 . 5.5 1624 938 A 136 ARG H A 135 GLU HA 1.0 . 2.8 1625 939 A 136 ARG HA A 136 ARG H 1.0 . 4.5 1626 940 A 136 ARG H A 133 GLU HBy 1.0 . 4.5 1627 940 A 136 ARG H A 133 GLU HBx 1.0 . 4.5 1628 941 A 136 ARG H A 136 ARG HBy 1.0 . 4.5 1629 941 A 136 ARG H A 136 ARG HBx 1.0 . 4.5 1630 942 A 136 ARG H A 136 ARG HGx 1.0 . 4.5 1631 942 A 136 ARG H A 136 ARG HGy 1.0 . 4.5 1632 943 A 136 ARG H A 134 VAL HGx% 1.0 . 4.5 1633 944 A 136 ARG H A 135 GLU H 1.0 . 4.5 1634 945 A 134 VAL H A 135 GLU H 1.0 . 3.5 1635 946 A 136 ARG H A 135 GLU H 1.0 . 4.5 1636 947 A 135 GLU HA A 135 GLU H 1.0 . 2.8 1637 948 A 135 GLU H A 134 VAL HA 1.0 . 2.8 1638 949 A 135 GLU H A 134 VAL HGx% 1.0 . 4.5 1639 950 A 134 VAL H A 135 GLU H 1.0 . 3.5 1640 951 A 134 VAL H A 133 GLU H 1.0 . 4.5 1641 952 A 134 VAL H A 133 GLU HA 1.0 . 2.8 1642 953 A 134 VAL H A 134 VAL HA 1.0 . 2.8 1643 954 A 134 VAL H A 134 VAL HGx% 1.0 . 2.8 1644 955 A 133 GLU H A 132 VAL H 1.0 . 4.5 1645 956 A 133 GLU HA A 133 GLU H 1.0 . 2.8 1646 957 A 133 GLU H A 132 VAL HA 1.0 . 3.5 1647 958 A 133 GLU H A 132 VAL HB 1.0 . 3.5 1648 959 A 133 GLU H A 132 VAL H 1.0 . 4.5 1649 960 A 132 VAL H A 131 PHE H 1.0 . 4.5 1650 961 A 132 VAL H A 131 PHE HA 1.0 . 3.5 1651 962 A 133 GLU HA A 132 VAL H 1.0 . 5.5 1652 963 A 132 VAL HA A 132 VAL H 1.0 . 2.8 1653 964 A 132 VAL H A 131 PHE HBy 1.0 . 4.5 1654 964 A 132 VAL H A 131 PHE HBx 1.0 . 4.5 1655 965 A 132 VAL H A 132 VAL HB 1.0 . 3.5 1656 966 A 131 PHE H A 130 ILE H 1.0 . 4.5 1657 967 A 132 VAL H A 131 PHE H 1.0 . 2.8 1658 968 A 131 PHE HA A 131 PHE H 1.0 . 2.8 1659 969 A 131 PHE H A 130 ILE HA 1.0 . 2.8 1660 970 A 131 PHE H A 131 PHE HBy 1.0 . 2.8 1661 970 A 131 PHE HBx A 131 PHE H 1.0 . 2.8 1662 971 A 131 PHE H A 130 ILE HG1y 1.0 . 4.5 1663 971 A 131 PHE H A 130 ILE HG1x 1.0 . 4.5 1664 972 A 132 VAL HGx% A 131 PHE H 1.0 . 4.5 1665 973 A 130 ILE H A 129 LYS H 1.0 . 2.8 1666 974 A 129 LYS HA A 130 ILE H 1.0 . 3.5 1667 975 A 130 ILE HA A 130 ILE H 1.0 . 2.8 1668 976 A 130 ILE H A 130 ILE HG1y 1.0 . 3.5 1669 976 A 130 ILE H A 130 ILE HG1x 1.0 . 3.5 1670 977 A 130 ILE H A 129 LYS H 1.0 . 2.8 1671 978 A 129 LYS H A 128 ASN HBy 1.0 . 4.5 1672 978 A 129 LYS H A 128 ASN HBx 1.0 . 4.5 1673 979 A 129 LYS H A 129 LYS HBx 1.0 . 3.5 1674 979 A 129 LYS H A 129 LYS HBy 1.0 . 3.5 1675 980 A 128 ASN H A 127 GLU H 1.0 . 4.5 1676 981 A 128 ASN H A 128 ASN HA 1.0 . 3.5 1677 982 A 128 ASN H A 128 ASN HBy 1.0 . 4.5 1678 982 A 128 ASN H A 128 ASN HBx 1.0 . 4.5 1679 983 A 128 ASN H A 127 GLU H 1.0 . 3.5 1680 984 A 127 GLU H A 126 THR HB 1.0 . 4.5 1681 985 A 127 GLU H A 124 VAL HA 1.0 . 4.5 1682 986 A 127 GLU H A 127 GLU HGy 1.0 . 2.8 1683 986 A 127 GLU H A 127 GLU HGx 1.0 . 2.8 1684 987 A 127 GLU H A 127 GLU HBx 1.0 . 2.8 1685 987 A 127 GLU H A 127 GLU HBy 1.0 . 2.8 1686 988 A 126 THR H A 125 VAL H 1.0 . 2.8 1687 989 A 126 THR HB A 126 THR H 1.0 . 4.5 1688 990 A 126 THR HA A 126 THR H 1.0 . 3.5 1689 991 A 126 THR H A 122 ILE HA 1.0 . 4.5 1690 992 A 126 THR H A 125 VAL HB 1.0 . 4.5 1691 993 A 126 THR H A 125 VAL HGy% 1.0 . 3.5 1692 994 A 125 VAL HGx% A 126 THR H 1.0 . 3.5 1693 995 A 125 VAL HGy% A 125 VAL H 1.0 . 2.8 1694 996 A 125 VAL HGx% A 125 VAL H 1.0 . 2.8 1695 997 A 124 VAL HA A 124 VAL H 1.0 . 2.8 1696 998 A 124 VAL HB A 124 VAL H 1.0 . 3.5 1697 999 A 124 VAL H A 124 VAL HGx% 1.0 . 2.8 1698 1000 A 124 VAL H A 123 ARG H 1.0 . 3.5 1699 1001 A 123 ARG H A 121 THR H 1.0 . 4.5 1700 1002 A 123 ARG H A 120 GLU HA 1.0 . 4.5 1701 1003 A 122 ILE HA A 123 ARG H 1.0 . 4.5 1702 1004 A 123 ARG H A 123 ARG HBy 1.0 . 2.8 1703 1004 A 123 ARG HBx A 123 ARG H 1.0 . 2.8 1704 1005 A 123 ARG H A 123 ARG HGy 1.0 . 4.5 1705 1005 A 123 ARG H A 123 ARG HGx 1.0 . 4.5 1706 1006 A 122 ILE H A 121 THR H 1.0 . 3.5 1707 1007 A 122 ILE H A 119 ILE HA 1.0 . 4.5 1708 1008 A 122 ILE HA A 122 ILE H 1.0 . 3.5 1709 1009 A 122 ILE H A 122 ILE HB 1.0 . 2.8 1710 1010 A 121 THR H A 120 GLU H 1.0 . 3.5 1711 1011 A 122 ILE H A 121 THR H 1.0 . 3.5 1712 1012 A 121 THR H A 121 THR HB 1.0 . 3.5 1713 1013 A 121 THR H A 120 GLU HA 1.0 . 4.5 1714 1014 A 121 THR HA A 121 THR H 1.0 . 3.5 1715 1015 A 121 THR H A 120 GLU HGx 1.0 . 4.5 1716 1015 A 121 THR H A 120 GLU HGy 1.0 . 4.5 1717 1016 A 124 VAL HGy% A 121 THR H 1.0 . 4.5 1718 1017 A 119 ILE H A 120 GLU H 1.0 . 3.5 1719 1018 A 121 THR H A 120 GLU H 1.0 . 3.5 1720 1019 A 120 GLU H A 118 VAL HA 1.0 . 4.5 1721 1020 A 120 GLU HA A 120 GLU H 1.0 . 2.8 1722 1021 A 120 GLU H A 120 GLU HGx 1.0 . 4.5 1723 1021 A 120 GLU H A 120 GLU HGy 1.0 . 4.5 1724 1022 A 120 GLU H A 120 GLU HBy 1.0 . 2.8 1725 1022 A 120 GLU HBx A 120 GLU H 1.0 . 2.8 1726 1023 A 119 ILE H A 120 GLU H 1.0 . 3.5 1727 1024 A 102 GLU H A 101 MET H 1.0 . 2.8 1728 1025 A 119 ILE H A 118 VAL H 1.0 . 2.8 1729 1026 A 119 ILE H A 118 VAL HGy% 1.0 . 2.8 1730 1027 A 119 ILE H A 118 VAL HGx% 1.0 . 3.5 1731 1028 A 119 ILE H A 118 VAL H 1.0 . 2.8 1732 1029 A 118 VAL H A 117 SER H 1.0 . 3.5 1733 1030 A 118 VAL H A 118 VAL HA 1.0 . 3.5 1734 1031 A 118 VAL H A 117 SER HA 1.0 . 4.5 1735 1032 A 118 VAL H A 117 SER HBx 1.0 . 4.5 1736 1032 A 118 VAL H A 117 SER HBy 1.0 . 4.5 1737 1033 A 118 VAL H A 115 ARG HA 1.0 . 4.5 1738 1034 A 118 VAL H A 118 VAL HB 1.0 . 2.8 1739 1035 A 118 VAL H A 118 VAL HGy% 1.0 . 2.8 1740 1036 A 118 VAL H A 118 VAL HGx% 1.0 . 3.5 1741 1037 A 117 SER H A 116 ILE H 1.0 . 2.8 1742 1038 A 118 VAL H A 117 SER H 1.0 . 2.8 1743 1039 A 117 SER H A 117 SER HA 1.0 . 2.8 1744 1040 A 117 SER H A 114 THR HA 1.0 . 4.5 1745 1041 A 116 ILE HA A 117 SER H 1.0 . 4.5 1746 1042 A 116 ILE HB A 117 SER H 1.0 . 2.8 1747 1043 A 118 VAL HGy% A 117 SER H 1.0 . 3.5 1748 1044 A 117 SER H A 116 ILE H 1.0 . 3.5 1749 1045 A 116 ILE HA A 116 ILE H 1.0 . 3.5 1750 1046 A 116 ILE H A 115 ARG H 1.0 . 3.5 1751 1047 A 115 ARG H A 114 THR HB 1.0 . 2.8 1752 1048 A 115 ARG H A 115 ARG HA 1.0 . 3.5 1753 1049 A 115 ARG H A 115 ARG HBy 1.0 . 2.8 1754 1049 A 115 ARG H A 115 ARG HBx 1.0 . 2.8 1755 1050 A 113 ASN H A 114 THR H 1.0 . 2.8 1756 1051 A 113 ASN HA A 114 THR H 1.0 . 4.5 1757 1052 A 114 THR HB A 114 THR H 1.0 . 2.8 1758 1053 A 113 ASN H A 114 THR H 1.0 . 2.8 1759 1054 A 113 ASN H A 113 ASN HD2y 1.0 . 5.5 1760 1054 A 113 ASN H A 113 ASN HD2x 1.0 . 5.5 1761 1055 A 113 ASN H A 111 ASP HA 1.0 . 4.5 1762 1056 A 113 ASN HA A 113 ASN H 1.0 . 2.8 1763 1057 A 113 ASN H A 112 LEU HA 1.0 . 3.5 1764 1058 A 113 ASN H A 115 ARG HBy 1.0 . 5.5 1765 1058 A 115 ARG HBx A 113 ASN H 1.0 . 5.5 1766 1059 A 113 ASN H A 112 LEU H 1.0 . 3.5 1767 1060 A 112 LEU H A 111 ASP HA 1.0 . 2.8 1768 1061 A 112 LEU H A 112 LEU HA 1.0 . 2.8 1769 1062 A 112 LEU H A 111 ASP HBy 1.0 . 2.8 1770 1062 A 112 LEU H A 111 ASP HBx 1.0 . 2.8 1771 1063 A 112 LEU H A 111 ASP H 1.0 . 4.5 1772 1064 A 111 ASP H A 110 LEU H 1.0 . 4.5 1773 1065 A 111 ASP HA A 111 ASP H 1.0 . 2.8 1774 1066 A 111 ASP H A 110 LEU HA 1.0 . 2.8 1775 1067 A 114 THR HB A 111 ASP H 1.0 . 4.5 1776 1068 A 111 ASP H A 111 ASP HBy 1.0 . 2.8 1777 1068 A 111 ASP HBx A 111 ASP H 1.0 . 2.8 1778 1069 A 110 LEU H A 109 SER H 1.0 . 2.8 1779 1070 A 110 LEU H A 109 SER HA 1.0 . 2.8 1780 1071 A 110 LEU H A 108 LYS HA 1.0 . 4.5 1781 1072 A 110 LEU HA A 110 LEU H 1.0 . 2.8 1782 1073 A 110 LEU H A 110 LEU HBx 1.0 . 2.8 1783 1073 A 110 LEU HBy A 110 LEU H 1.0 . 2.8 1784 1074 A 109 SER H A 108 LYS H 1.0 . 3.5 1785 1075 A 110 LEU H A 109 SER H 1.0 . 2.8 1786 1076 A 109 SER H A 109 SER HA 1.0 . 2.8 1787 1077 A 109 SER H A 108 LYS HA 1.0 . 3.5 1788 1078 A 109 SER H A 108 LYS HBy 1.0 . 4.5 1789 1078 A 108 LYS HBx A 109 SER H 1.0 . 4.5 1790 1079 A 109 SER H A 108 LYS H 1.0 . 3.5 1791 1080 A 108 LYS H A 107 SER HA 1.0 . 3.5 1792 1081 A 108 LYS H A 108 LYS HA 1.0 . 3.5 1793 1082 A 108 LYS H A 108 LYS HBy 1.0 . 3.5 1794 1082 A 108 LYS HBx A 108 LYS H 1.0 . 3.5 1795 1083 A 108 LYS H A 108 LYS HGy 1.0 . 3.5 1796 1083 A 108 LYS HGx A 108 LYS H 1.0 . 3.5 1797 1084 A 107 SER HA A 107 SER H 1.0 . 2.8 1798 1085 A 106 SER HA A 107 SER H 1.0 . 3.5 1799 1086 A 107 SER H A 107 SER HBy 1.0 . 2.8 1800 1086 A 107 SER H A 107 SER HBx 1.0 . 2.8 1801 1087 A 105 LYS H A 106 SER H 1.0 . 2.8 1802 1088 A 106 SER H A 106 SER HA 1.0 . 2.8 1803 1089 A 106 SER H A 103 TYR HA 1.0 . 3.5 1804 1090 A 106 SER H A 105 LYS HA 1.0 . 3.5 1805 1091 A 106 SER H A 106 SER HBy 1.0 . 2.8 1806 1091 A 106 SER H A 106 SER HBx 1.0 . 2.8 1807 1092 A 106 SER H A 105 LYS HBx 1.0 . 2.8 1808 1092 A 106 SER H A 105 LYS HBy 1.0 . 2.8 1809 1093 A 105 LYS H A 104 LEU H 1.0 . 3.5 1810 1094 A 105 LYS H A 106 SER H 1.0 . 2.8 1811 1095 A 105 LYS H A 101 MET HA 1.0 . 4.5 1812 1096 A 105 LYS H A 105 LYS HA 1.0 . 2.8 1813 1097 A 105 LYS H A 105 LYS HBx 1.0 . 2.8 1814 1097 A 105 LYS H A 105 LYS HBy 1.0 . 2.8 1815 1098 A 105 LYS H A 105 LYS HDx 1.0 . 4.5 1816 1098 A 105 LYS H A 105 LYS HDy 1.0 . 4.5 1817 1099 A 104 LEU H A 103 TYR H 1.0 . 2.8 1818 1100 A 104 LEU HA A 104 LEU H 1.0 . 2.8 1819 1101 A 104 LEU H A 103 TYR HBy 1.0 . 2.8 1820 1101 A 104 LEU H A 103 TYR HBx 1.0 . 2.8 1821 1102 A 104 LEU H A 104 LEU HBy 1.0 . 2.8 1822 1102 A 104 LEU HBx A 104 LEU H 1.0 . 2.8 1823 1103 A 104 LEU H A 63 VAL HGy% 1.0 . 4.5 1824 1104 A 104 LEU H A 63 VAL HGx% 1.0 . 4.5 1825 1105 A 104 LEU H A 103 TYR H 1.0 . 2.8 1826 1106 A 103 TYR H A 103 TYR HA 1.0 . 2.8 1827 1107 A 103 TYR H A 100 VAL HA 1.0 . 4.5 1828 1108 A 103 TYR H A 63 VAL HGx% 1.0 . 4.5 1829 1109 A 67 ALA HB% A 103 TYR H 1.0 . 4.5 1830 1110 A 101 MET HA A 102 GLU H 1.0 . 3.5 1831 1111 A 99 LYS HA A 102 GLU H 1.0 . 3.5 1832 1112 A 102 GLU H A 102 GLU HBy 1.0 . 2.8 1833 1112 A 102 GLU HBx A 102 GLU H 1.0 . 2.8 1834 1113 A 119 ILE H A 118 VAL HA 1.0 . 4.5 1835 1114 A 101 MET HA A 101 MET H 1.0 . 2.8 1836 1115 A 101 MET H A 100 VAL HA 1.0 . 4.5 1837 1116 A 101 MET H A 97 ILE HA 1.0 . 4.5 1838 1117 A 101 MET H A 101 MET HGx 1.0 . 2.8 1839 1117 A 101 MET HGy A 101 MET H 1.0 . 2.8 1840 1118 A 101 MET H A 100 VAL HB 1.0 . 2.8 1841 1119 A 101 MET H A 101 MET HBy 1.0 . 2.8 1842 1119 A 101 MET H A 101 MET HBx 1.0 . 2.8 1843 1120 A 101 MET H A 105 LYS HDx 1.0 . 4.5 1844 1120 A 105 LYS HDy A 101 MET H 1.0 . 4.5 1845 1121 A 101 MET H A 100 VAL HGy% 1.0 . 3.5 1846 1122 A 101 MET H A 100 VAL HGx% 1.0 . 3.5 1847 1123 A 100 VAL H A 99 LYS H 1.0 . 2.8 1848 1124 A 100 VAL HA A 100 VAL H 1.0 . 2.8 1849 1125 A 100 VAL H A 97 ILE HA 1.0 . 3.5 1850 1126 A 100 VAL H A 99 LYS HBx 1.0 . 3.5 1851 1126 A 100 VAL H A 99 LYS HBy 1.0 . 3.5 1852 1127 A 58 VAL HGy% A 58 VAL H 1.0 . 2.8 1853 1128 A 100 VAL H A 99 LYS H 1.0 . 3.5 1854 1129 A 99 LYS HA A 99 LYS H 1.0 . 3.5 1855 1130 A 99 LYS H A 98 GLN HGy 1.0 . 4.5 1856 1130 A 98 GLN HGx A 99 LYS H 1.0 . 4.5 1857 1131 A 99 LYS H A 99 LYS HBx 1.0 . 2.8 1858 1131 A 99 LYS HBy A 99 LYS H 1.0 . 2.8 1859 1132 A 63 VAL HGx% A 99 LYS H 1.0 . 4.5 1860 1133 A 97 ILE H A 98 GLN H 1.0 . 2.8 1861 1134 A 98 GLN H A 95 TYR HA 1.0 . 4.5 1862 1135 A 102 GLU HA A 102 GLU H 1.0 . 2.8 1863 1136 A 98 GLN HA A 98 GLN H 1.0 . 2.8 1864 1137 A 97 ILE HA A 98 GLN H 1.0 . 4.5 1865 1138 A 98 GLN H A 98 GLN HGy 1.0 . 4.5 1866 1138 A 98 GLN H A 98 GLN HGx 1.0 . 4.5 1867 1139 A 98 GLN H A 98 GLN HBx 1.0 . 2.8 1868 1139 A 98 GLN H A 98 GLN HBy 1.0 . 2.8 1869 1140 A 97 ILE H A 98 GLN H 1.0 . 2.8 1870 1141 A 97 ILE H A 97 ILE HA 1.0 . 3.5 1871 1142 A 97 ILE H A 97 ILE HB 1.0 . 2.8 1872 1143 A 96 MET H A 95 TYR H 1.0 . 3.5 1873 1144 A 95 TYR H A 94 GLN H 1.0 . 3.5 1874 1145 A 95 TYR H A 93 ILE H 1.0 . 4.5 1875 1146 A 95 TYR HA A 95 TYR H 1.0 . 2.8 1876 1147 A 94 GLN HA A 95 TYR H 1.0 . 3.5 1877 1148 A 95 TYR H A 92 SER HA 1.0 . 4.5 1878 1149 A 95 TYR H A 93 ILE HA 1.0 . 4.5 1879 1150 A 95 TYR H A 95 TYR HBy 1.0 . 2.8 1880 1150 A 95 TYR H A 95 TYR HBx 1.0 . 2.8 1881 1151 A 95 TYR H A 94 GLN HBx 1.0 . 2.8 1882 1151 A 95 TYR H A 94 GLN HBy 1.0 . 2.8 1883 1152 A 95 TYR H A 94 GLN H 1.0 . 3.5 1884 1153 A 94 GLN H A 93 ILE H 1.0 . 3.5 1885 1154 A 91 LEU HA A 94 GLN H 1.0 . 4.5 1886 1155 A 94 GLN HA A 94 GLN H 1.0 . 2.8 1887 1156 A 94 GLN H A 94 GLN HGy 1.0 . 4.5 1888 1156 A 94 GLN H A 94 GLN HGx 1.0 . 4.5 1889 1157 A 94 GLN H A 94 GLN HBx 1.0 . 2.8 1890 1157 A 94 GLN H A 94 GLN HBy 1.0 . 2.8 1891 1158 A 94 GLN H A 93 ILE H 1.0 . 3.5 1892 1159 A 93 ILE H A 92 SER HBx 1.0 . 3.5 1893 1159 A 93 ILE H A 92 SER HBy 1.0 . 3.5 1894 1160 A 93 ILE HB A 93 ILE H 1.0 . 2.8 1895 1161 A 93 ILE H A 93 ILE HG1y 1.0 . 4.5 1896 1161 A 93 ILE H A 93 ILE HG1x 1.0 . 4.5 1897 1162 A 91 LEU H A 92 SER H 1.0 . 3.5 1898 1163 A 92 SER HA A 92 SER H 1.0 . 4.5 1899 1164 A 92 SER H A 92 SER HBx 1.0 . 2.8 1900 1164 A 92 SER HBy A 92 SER H 1.0 . 2.8 1901 1165 A 90 LYS HA A 92 SER H 1.0 . 4.5 1902 1166 A 92 SER H A 91 LEU HBy 1.0 . 3.5 1903 1166 A 92 SER H A 91 LEU HBx 1.0 . 3.5 1904 1167 A 91 LEU H A 92 SER H 1.0 . 3.5 1905 1168 A 90 LYS HA A 91 LEU H 1.0 . 4.5 1906 1169 A 91 LEU H A 94 GLN HBx 1.0 . 4.5 1907 1169 A 91 LEU H A 94 GLN HBy 1.0 . 4.5 1908 1170 A 91 LEU H A 89 LEU HBy 1.0 . 4.5 1909 1170 A 91 LEU H A 89 LEU HBx 1.0 . 4.5 1910 1171 A 90 LYS H A 89 LEU HA 1.0 . 2.8 1911 1172 A 90 LYS H A 90 LYS HA 1.0 . 3.5 1912 1173 A 90 LYS H A 89 LEU HBy 1.0 . 4.5 1913 1173 A 90 LYS H A 89 LEU HBx 1.0 . 4.5 1914 1174 A 90 LYS H A 90 LYS HBy 1.0 . 2.8 1915 1174 A 90 LYS H A 90 LYS HBx 1.0 . 2.8 1916 1175 A 90 LYS H A 90 LYS HGy 1.0 . 4.5 1917 1175 A 90 LYS H A 90 LYS HGx 1.0 . 4.5 1918 1176 A 89 LEU H A 88 GLN H 1.0 . 4.5 1919 1177 A 89 LEU HA A 89 LEU H 1.0 . 4.5 1920 1178 A 89 LEU H A 88 GLN HA 1.0 . 3.5 1921 1179 A 89 LEU HG A 89 LEU H 1.0 . 4.5 1922 1180 A 88 GLN H A 87 GLY H 1.0 . 3.5 1923 1181 A 88 GLN H A 86 HIS HA 1.0 . 4.5 1924 1182 A 88 GLN HA A 88 GLN H 1.0 . 3.5 1925 1183 A 88 GLN H A 88 GLN HBx 1.0 . 2.8 1926 1183 A 88 GLN H A 88 GLN HBy 1.0 . 2.8 1927 1184 A 88 GLN H A 87 GLY H 1.0 . 4.5 1928 1185 A 87 GLY H A 86 HIS HA 1.0 . 3.5 1929 1186 A 87 GLY H A 87 GLY HAy 1.0 . 4.5 1930 1186 A 87 GLY H A 87 GLY HAx 1.0 . 4.5 1931 1187 A 85 LYS HA A 86 HIS H 1.0 . 3.5 1932 1188 A 84 LYS H A 83 SER H 1.0 . 4.5 1933 1189 A 85 LYS H A 85 LYS HA 1.0 . 4.5 1934 1190 A 84 LYS H A 84 LYS HBy 1.0 . 2.8 1935 1190 A 84 LYS HBx A 84 LYS H 1.0 . 2.8 1936 1191 A 85 LYS H A 85 LYS HBy 1.0 . 3.5 1937 1191 A 85 LYS H A 85 LYS HBx 1.0 . 3.5 1938 1192 A 84 LYS H A 83 SER H 1.0 . 2.8 1939 1193 A 83 SER H A 83 SER HBx 1.0 . 2.8 1940 1193 A 83 SER HBy A 83 SER H 1.0 . 2.8 1941 1194 A 80 THR HA A 83 SER H 1.0 . 4.5 1942 1195 A 82 LEU HG A 83 SER H 1.0 . 4.5 1943 1196 A 83 SER H A 82 LEU HBy 1.0 . 4.5 1944 1196 A 82 LEU HBx A 83 SER H 1.0 . 4.5 1945 1197 A 82 LEU H A 83 SER H 1.0 . 3.5 1946 1198 A 82 LEU H A 81 LEU H 1.0 . 4.5 1947 1199 A 82 LEU H A 83 SER H 1.0 . 4.5 1948 1200 A 82 LEU H A 82 LEU HA 1.0 . 3.5 1949 1201 A 82 LEU H A 82 LEU HG 1.0 . 2.8 1950 1202 A 82 LEU H A 82 LEU HBy 1.0 . 2.8 1951 1202 A 82 LEU H A 82 LEU HBx 1.0 . 2.8 1952 1203 A 82 LEU H A 81 LEU HBy 1.0 . 3.5 1953 1203 A 82 LEU H A 81 LEU HBx 1.0 . 3.5 1954 1204 A 82 LEU H A 81 LEU H 1.0 . 3.5 1955 1205 A 81 LEU H A 80 THR H 1.0 . 3.5 1956 1206 A 81 LEU H A 80 THR HB 1.0 . 2.8 1957 1207 A 81 LEU HA A 81 LEU H 1.0 . 3.5 1958 1208 A 79 LEU H A 80 THR H 1.0 . 3.5 1959 1209 A 81 LEU H A 80 THR H 1.0 . 3.5 1960 1210 A 80 THR H A 80 THR HB 1.0 . 2.8 1961 1211 A 80 THR H A 77 GLU HA 1.0 . 3.5 1962 1212 A 80 THR H A 80 THR HA 1.0 . 3.5 1963 1213 A 80 THR H A 79 LEU HBy 1.0 . 2.8 1964 1213 A 80 THR H A 79 LEU HBx 1.0 . 2.8 1965 1214 A 79 LEU H A 78 GLN H 1.0 . 3.5 1966 1215 A 79 LEU H A 80 THR H 1.0 . 3.5 1967 1216 A 76 ASN HA A 79 LEU H 1.0 . 4.5 1968 1217 A 79 LEU H A 80 THR HB 1.0 . 4.5 1969 1218 A 79 LEU H A 79 LEU HA 1.0 . 2.8 1970 1219 A 79 LEU H A 75 LEU HA 1.0 . 4.5 1971 1220 A 79 LEU H A 78 GLN HGy 1.0 . 4.5 1972 1220 A 79 LEU H A 78 GLN HGx 1.0 . 4.5 1973 1221 A 79 LEU H A 78 GLN HBy 1.0 . 3.5 1974 1221 A 79 LEU H A 78 GLN HBx 1.0 . 3.5 1975 1222 A 79 LEU H A 78 GLN H 1.0 . 3.5 1976 1223 A 77 GLU H A 78 GLN H 1.0 . 3.5 1977 1224 A 78 GLN H A 78 GLN HGy 1.0 . 4.5 1978 1224 A 78 GLN H A 78 GLN HGx 1.0 . 4.5 1979 1225 A 78 GLN H A 78 GLN HBy 1.0 . 2.8 1980 1225 A 78 GLN H A 78 GLN HBx 1.0 . 2.8 1981 1226 A 77 GLU H A 76 ASN H 1.0 . 3.5 1982 1227 A 77 GLU H A 78 GLN H 1.0 . 2.8 1983 1228 A 76 ASN HA A 77 GLU H 1.0 . 3.5 1984 1229 A 74 ASP HA A 77 GLU H 1.0 . 3.5 1985 1230 A 77 GLU H A 77 GLU HA 1.0 . 2.8 1986 1231 A 77 GLU H A 76 ASN HBy 1.0 . 2.8 1987 1231 A 76 ASN HBx A 77 GLU H 1.0 . 2.8 1988 1232 A 77 GLU H A 77 GLU HBx 1.0 . 2.8 1989 1232 A 77 GLU H A 77 GLU HBy 1.0 . 2.8 1990 1233 A 78 GLN H A 76 ASN H 1.0 . 4.5 1991 1234 A 76 ASN H A 75 LEU H 1.0 . 2.8 1992 1235 A 77 GLU H A 76 ASN H 1.0 . 3.5 1993 1236 A 76 ASN HA A 76 ASN H 1.0 . 2.8 1994 1237 A 76 ASN H A 75 LEU HA 1.0 . 4.5 1995 1238 A 76 ASN H A 76 ASN HBy 1.0 . 2.8 1996 1238 A 76 ASN HBx A 76 ASN H 1.0 . 2.8 1997 1239 A 104 LEU HG A 76 ASN H 1.0 . 4.5 1998 1240 A 76 ASN H A 75 LEU H 1.0 . 3.5 1999 1241 A 75 LEU H A 73 ASP H 1.0 . 4.5 2000 1242 A 74 ASP HA A 75 LEU H 1.0 . 4.5 2001 1243 A 75 LEU H A 72 TRP HA 1.0 . 3.5 2002 1244 A 75 LEU HA A 75 LEU H 1.0 . 2.8 2003 1245 A 75 LEU H A 74 ASP HBy 1.0 . 3.5 2004 1245 A 74 ASP HBx A 75 LEU H 1.0 . 3.5 2005 1246 A 75 LEU H A 75 LEU HBy 1.0 . 2.8 2006 1246 A 75 LEU H A 75 LEU HBx 1.0 . 2.8 2007 1247 A 104 LEU HG A 75 LEU H 1.0 . 4.5 2008 1248 A 74 ASP H A 73 ASP H 1.0 . 2.8 2009 1249 A 73 ASP H A 72 TRP H 1.0 . 3.5 2010 1250 A 73 ASP H A 71 LYS HA 1.0 . 5.5 2011 1251 A 73 ASP HA A 73 ASP H 1.0 . 3.5 2012 1252 A 73 ASP H A 72 TRP HBy 1.0 . 4.5 2013 1252 A 72 TRP HBx A 73 ASP H 1.0 . 4.5 2014 1253 A 73 ASP H A 73 ASP HBx 1.0 . 2.8 2015 1253 A 73 ASP HBy A 73 ASP H 1.0 . 2.8 2016 1254 A 72 TRP HE1 A 72 TRP H 1.0 . 4.5 2017 1255 A 73 ASP H A 72 TRP H 1.0 . 3.5 2018 1256 A 74 ASP H A 72 TRP H 1.0 . 4.5 2019 1257 A 72 TRP H A 71 LYS H 1.0 . 5.5 2020 1258 A 72 TRP H A 68 SER H 1.0 . 5.5 2021 1259 A 72 TRP HD1 A 72 TRP H 1.0 . 3.5 2022 1260 A 72 TRP HA A 72 TRP H 1.0 . 3.5 2023 1261 A 72 TRP H A 72 TRP HBy 1.0 . 2.8 2024 1261 A 72 TRP HBx A 72 TRP H 1.0 . 2.8 2025 1262 A 72 TRP H A 73 ASP HBx 1.0 . 4.5 2026 1262 A 73 ASP HBy A 72 TRP H 1.0 . 4.5 2027 1263 A 72 TRP H A 71 LYS HBy 1.0 . 4.5 2028 1263 A 72 TRP H A 71 LYS HBx 1.0 . 4.5 2029 1264 A 72 TRP H A 71 LYS H 1.0 . 4.5 2030 1265 A 69 ARG H A 71 LYS H 1.0 . 4.5 2031 1266 A 71 LYS H A 71 LYS HA 1.0 . 2.8 2032 1267 A 70 ASN HA A 71 LYS H 1.0 . 3.5 2033 1268 A 67 ALA HA A 71 LYS H 1.0 . 4.5 2034 1269 A 71 LYS H A 71 LYS HBy 1.0 . 3.5 2035 1269 A 71 LYS H A 71 LYS HBx 1.0 . 3.5 2036 1270 A 71 LYS H A 71 LYS HDx 1.0 . 4.5 2037 1270 A 71 LYS HDy A 71 LYS H 1.0 . 4.5 2038 1271 A 72 TRP HE1 A 70 ASN H 1.0 . 4.5 2039 1272 A 70 ASN H A 69 ARG H 1.0 . 2.8 2040 1273 A 70 ASN H A 69 ARG HA 1.0 . 4.5 2041 1274 A 70 ASN HA A 70 ASN H 1.0 . 2.8 2042 1275 A 70 ASN H A 67 ALA HA 1.0 . 4.5 2043 1276 A 70 ASN H A 70 ASN HBy 1.0 . 4.5 2044 1276 A 70 ASN H A 70 ASN HBx 1.0 . 4.5 2045 1277 A 70 ASN H A 69 ARG H 1.0 . 2.8 2046 1278 A 68 SER H A 69 ARG H 1.0 . 3.5 2047 1279 A 69 ARG H A 69 ARG HA 1.0 . 4.5 2048 1280 A 69 ARG H A 68 SER HA 1.0 . 4.5 2049 1281 A 70 ASN HA A 69 ARG H 1.0 . 4.5 2050 1282 A 69 ARG H A 67 ALA HA 1.0 . 5.5 2051 1283 A 69 ARG H A 69 ARG HBy 1.0 . 4.5 2052 1283 A 69 ARG H A 69 ARG HBx 1.0 . 4.5 2053 1284 A 68 SER H A 67 ALA H 1.0 . 3.5 2054 1285 A 68 SER H A 69 ARG H 1.0 . 3.5 2055 1286 A 68 SER H A 68 SER HA 1.0 . 2.8 2056 1287 A 67 ALA HB% A 68 SER H 1.0 . 2.8 2057 1288 A 67 ALA H A 65 LEU H 1.0 . 4.5 2058 1289 A 69 ARG H A 67 ALA H 1.0 . 5.5 2059 1290 A 67 ALA H A 63 VAL HA 1.0 . 4.5 2060 1291 A 67 ALA H A 67 ALA HA 1.0 . 3.5 2061 1292 A 67 ALA H A 66 LEU HBx 1.0 . 4.5 2062 1292 A 67 ALA H A 66 LEU HBy 1.0 . 4.5 2063 1293 A 75 LEU HG A 67 ALA H 1.0 . 4.5 2064 1294 A 63 VAL HGx% A 67 ALA H 1.0 . 3.5 2065 1295 A 67 ALA HB% A 67 ALA H 1.0 . 2.8 2066 1296 A 67 ALA H A 66 LEU H 1.0 . 3.5 2067 1297 A 66 LEU H A 65 LEU H 1.0 . 3.5 2068 1298 A 66 LEU HA A 66 LEU H 1.0 . 3.5 2069 1299 A 66 LEU H A 65 LEU HA 1.0 . 4.5 2070 1300 A 66 LEU H A 62 ILE HA 1.0 . 4.5 2071 1301 A 40 LEU HG A 66 LEU H 1.0 . 3.5 2072 1302 A 66 LEU H A 66 LEU HBx 1.0 . 2.8 2073 1302 A 66 LEU H A 66 LEU HBy 1.0 . 2.8 2074 1303 A 67 ALA HB% A 66 LEU H 1.0 . 4.5 2075 1304 A 64 ASP H A 65 LEU H 1.0 . 3.5 2076 1305 A 65 LEU H A 64 ASP HA 1.0 . 4.5 2077 1306 A 65 LEU H A 65 LEU HA 1.0 . 3.5 2078 1307 A 65 LEU H A 62 ILE HA 1.0 . 4.5 2079 1308 A 65 LEU H A 64 ASP HBy 1.0 . 3.5 2080 1308 A 64 ASP HBx A 65 LEU H 1.0 . 3.5 2081 1309 A 65 LEU H A 65 LEU HBy 1.0 . 2.8 2082 1309 A 65 LEU H A 65 LEU HBx 1.0 . 2.8 2083 1310 A 64 ASP H A 65 LEU H 1.0 . 2.8 2084 1311 A 64 ASP H A 63 VAL H 1.0 . 2.8 2085 1312 A 64 ASP H A 64 ASP HA 1.0 . 2.8 2086 1313 A 64 ASP H A 63 VAL HA 1.0 . 4.5 2087 1314 A 64 ASP H A 64 ASP HBy 1.0 . 2.8 2088 1314 A 64 ASP H A 64 ASP HBx 1.0 . 2.8 2089 1315 A 64 ASP H A 63 VAL HB 1.0 . 4.5 2090 1316 A 64 ASP H A 63 VAL HGy% 1.0 . 2.8 2091 1317 A 64 ASP H A 63 VAL HGx% 1.0 . 2.8 2092 1318 A 64 ASP H A 67 ALA HB% 1.0 . 4.5 2093 1319 A 64 ASP H A 63 VAL H 1.0 . 3.5 2094 1320 A 63 VAL H A 62 ILE H 1.0 . 3.5 2095 1321 A 63 VAL H A 60 ALA HA 1.0 . 4.5 2096 1322 A 63 VAL H A 62 ILE HA 1.0 . 4.5 2097 1323 A 63 VAL H A 63 VAL HA 1.0 . 3.5 2098 1324 A 63 VAL H A 63 VAL HB 1.0 . 3.5 2099 1325 A 63 VAL H A 62 ILE HB 1.0 . 3.5 2100 1326 A 63 VAL H A 99 LYS HGy 1.0 . 4.5 2101 1326 A 99 LYS HGx A 63 VAL H 1.0 . 4.5 2102 1327 A 63 VAL HGy% A 63 VAL H 1.0 . 2.8 2103 1328 A 62 ILE H A 61 LYS H 1.0 . 2.8 2104 1329 A 63 VAL H A 62 ILE H 1.0 . 3.5 2105 1330 A 62 ILE H A 62 ILE HA 1.0 . 3.5 2106 1331 A 62 ILE H A 62 ILE HB 1.0 . 2.8 2107 1332 A 63 VAL HGy% A 62 ILE H 1.0 . 4.5 2108 1333 A 61 LYS H A 60 ALA H 1.0 . 3.5 2109 1334 A 62 ILE H A 61 LYS H 1.0 . 3.5 2110 1335 A 61 LYS HA A 61 LYS H 1.0 . 2.8 2111 1336 A 60 ALA HA A 61 LYS H 1.0 . 4.5 2112 1337 A 61 LYS H A 58 VAL HA 1.0 . 4.5 2113 1338 A 62 ILE HB A 61 LYS H 1.0 . 4.5 2114 1339 A 61 LYS H A 61 LYS HBy 1.0 . 2.8 2115 1339 A 61 LYS H A 61 LYS HBx 1.0 . 2.8 2116 1340 A 12 ASP H A 11 LYS HBx 1.0 . 4.5 2117 1340 A 12 ASP H A 11 LYS HBy 1.0 . 4.5 2118 1341 A 61 LYS H A 61 LYS HGx 1.0 . 4.5 2119 1341 A 61 LYS H A 61 LYS HGy 1.0 . 4.5 2120 1342 A 60 ALA H A 59 LEU H 1.0 . 3.5 2121 1343 A 61 LYS H A 60 ALA H 1.0 . 3.5 2122 1344 A 60 ALA H A 57 GLU HA 1.0 . 4.5 2123 1345 A 60 ALA HA A 60 ALA H 1.0 . 2.8 2124 1346 A 60 ALA H A 60 ALA HB% 1.0 . 2.8 2125 1347 A 59 LEU HA A 59 LEU H 1.0 . 4.5 2126 1348 A 59 LEU H A 58 VAL HA 1.0 . 4.5 2127 1349 A 59 LEU H A 58 VAL HB 1.0 . 4.5 2128 1350 A 59 LEU H A 59 LEU HG 1.0 . 3.5 2129 1351 A 59 LEU H A 59 LEU HBx 1.0 . 4.5 2130 1351 A 59 LEU H A 59 LEU HBy 1.0 . 4.5 2131 1352 A 58 VAL HGy% A 59 LEU H 1.0 . 3.5 2132 1353 A 59 LEU H A 58 VAL H 1.0 . 2.8 2133 1354 A 58 VAL H A 57 GLU H 1.0 . 3.5 2134 1355 A 58 VAL HA A 58 VAL H 1.0 . 3.5 2135 1356 A 58 VAL H A 57 GLU HBx 1.0 . 2.8 2136 1356 A 57 GLU HBy A 58 VAL H 1.0 . 2.8 2137 1357 A 58 VAL HGy% A 58 VAL H 1.0 . 2.8 2138 1358 A 58 VAL H A 57 GLU H 1.0 . 2.8 2139 1359 A 57 GLU H A 56 LYS H 1.0 . 3.5 2140 1360 A 58 VAL HA A 57 GLU H 1.0 . 5.5 2141 1361 A 57 GLU H A 57 GLU HGx 1.0 . 4.5 2142 1361 A 57 GLU H A 57 GLU HGy 1.0 . 4.5 2143 1362 A 57 GLU H A 57 GLU HBx 1.0 . 2.8 2144 1362 A 57 GLU HBy A 57 GLU H 1.0 . 2.8 2145 1363 A 60 ALA HB% A 57 GLU H 1.0 . 5.5 2146 1364 A 58 VAL HGy% A 57 GLU H 1.0 . 3.5 2147 1365 A 57 GLU H A 56 LYS H 1.0 . 3.5 2148 1366 A 56 LYS HA A 56 LYS H 1.0 . 2.8 2149 1367 A 52 LEU H A 53 ALA H 1.0 . 3.5 2150 1368 A 53 ALA H A 54 SER H 1.0 . 2.8 2151 1369 A 53 ALA H A 52 LEU HBy 1.0 . 3.5 2152 1369 A 53 ALA H A 52 LEU HBx 1.0 . 3.5 2153 1370 A 56 LYS H A 55 SER H 1.0 . 3.5 2154 1371 A 54 SER H A 55 SER H 1.0 . 2.8 2155 1372 A 53 ALA H A 54 SER H 1.0 . 2.8 2156 1373 A 54 SER H A 46 THR HA 1.0 . 5.5 2157 1374 A 54 SER H A 51 ASP HBx 1.0 . 4.5 2158 1374 A 54 SER H A 51 ASP HBy 1.0 . 4.5 2159 1375 A 53 ALA HB% A 54 SER H 1.0 . 2.8 2160 1376 A 52 LEU H A 53 ALA H 1.0 . 3.5 2161 1377 A 51 ASP H A 52 LEU H 1.0 . 4.5 2162 1378 A 52 LEU HA A 52 LEU H 1.0 . 2.8 2163 1379 A 52 LEU H A 51 ASP HBx 1.0 . 4.5 2164 1379 A 52 LEU H A 51 ASP HBy 1.0 . 4.5 2165 1380 A 52 LEU H A 52 LEU HBy 1.0 . 2.8 2166 1380 A 52 LEU H A 52 LEU HBx 1.0 . 2.8 2167 1381 A 52 LEU H A 52 LEU HG 1.0 . 3.5 2168 1382 A 51 ASP H A 50 SER H 1.0 . 2.8 2169 1383 A 51 ASP H A 52 LEU H 1.0 . 4.5 2170 1384 A 51 ASP H A 49 ALA H 1.0 . 4.5 2171 1385 A 51 ASP H A 50 SER HA 1.0 . 2.8 2172 1386 A 51 ASP H A 46 THR HA 1.0 . 4.5 2173 1387 A 51 ASP H A 51 ASP HBx 1.0 . 2.8 2174 1387 A 51 ASP H A 51 ASP HBy 1.0 . 2.8 2175 1388 A 51 ASP H A 50 SER H 1.0 . 2.8 2176 1389 A 50 SER H A 49 ALA H 1.0 . 2.8 2177 1390 A 50 SER H A 49 ALA HA 1.0 . 3.5 2178 1391 A 50 SER HA A 50 SER H 1.0 . 2.8 2179 1392 A 50 SER H A 49 ALA HB% 1.0 . 3.5 2180 1393 A 48 GLN H A 49 ALA H 1.0 . 3.5 2181 1394 A 50 SER H A 49 ALA H 1.0 . 2.8 2182 1395 A 49 ALA H A 49 ALA HA 1.0 . 2.8 2183 1396 A 49 ALA H A 46 THR HA 1.0 . 4.5 2184 1397 A 49 ALA H A 51 ASP HBx 1.0 . 4.5 2185 1397 A 49 ALA H A 51 ASP HBy 1.0 . 4.5 2186 1398 A 49 ALA H A 48 GLN HBy 1.0 . 4.5 2187 1398 A 48 GLN HBx A 49 ALA H 1.0 . 4.5 2188 1399 A 49 ALA H A 49 ALA HB% 1.0 . 2.8 2189 1400 A 48 GLN H A 47 ARG H 1.0 . 3.5 2190 1401 A 48 GLN H A 49 ALA H 1.0 . 3.5 2191 1402 A 48 GLN H A 48 GLN HA 1.0 . 2.8 2192 1403 A 48 GLN H A 48 GLN HGy 1.0 . 3.5 2193 1403 A 48 GLN H A 48 GLN HGx 1.0 . 3.5 2194 1404 A 48 GLN H A 48 GLN HBy 1.0 . 2.8 2195 1404 A 48 GLN H A 48 GLN HBx 1.0 . 2.8 2196 1405 A 48 GLN H A 49 ALA HB% 1.0 . 4.5 2197 1406 A 48 GLN H A 47 ARG H 1.0 . 3.5 2198 1407 A 47 ARG H A 47 ARG HBy 1.0 . 3.5 2199 1407 A 47 ARG H A 47 ARG HBx 1.0 . 3.5 2200 1408 A 46 THR H A 45 LYS H 1.0 . 4.5 2201 1409 A 44 LYS H A 46 THR H 1.0 . 5.5 2202 1410 A 46 THR H A 49 ALA HB% 1.0 . 4.5 2203 1411 A 46 THR H A 45 LYS HBy 1.0 . 3.5 2204 1411 A 45 LYS HBx A 46 THR H 1.0 . 3.5 2205 1412 A 46 THR H A 45 LYS H 1.0 . 2.8 2206 1413 A 44 LYS H A 45 LYS H 1.0 . 3.5 2207 1414 A 45 LYS H A 44 LYS HBx 1.0 . 3.5 2208 1414 A 44 LYS HBy A 45 LYS H 1.0 . 3.5 2209 1415 A 45 LYS H A 45 LYS HBy 1.0 . 2.8 2210 1415 A 45 LYS HBx A 45 LYS H 1.0 . 2.8 2211 1416 A 39 LEU HG A 38 GLN H 1.0 . 4.5 2212 1417 A 44 LYS H A 43 GLU H 1.0 . 3.5 2213 1418 A 44 LYS H A 45 LYS H 1.0 . 3.5 2214 1419 A 44 LYS H A 40 LEU HA 1.0 . 4.5 2215 1420 A 44 LYS HA A 44 LYS H 1.0 . 4.5 2216 1421 A 44 LYS H A 41 VAL HA 1.0 . 4.5 2217 1422 A 43 GLU HA A 44 LYS H 1.0 . 4.5 2218 1423 A 44 LYS H A 44 LYS HBx 1.0 . 2.8 2219 1423 A 44 LYS H A 44 LYS HBy 1.0 . 2.8 2220 1424 A 44 LYS H A 45 LYS HBy 1.0 . 4.5 2221 1424 A 45 LYS HBx A 44 LYS H 1.0 . 4.5 2222 1425 A 44 LYS H A 40 LEU HBx 1.0 . 4.5 2223 1425 A 44 LYS H A 40 LEU HBy 1.0 . 4.5 2224 1426 A 43 GLU H A 42 LEU H 1.0 . 2.8 2225 1427 A 43 GLU H A 40 LEU HA 1.0 . 3.5 2226 1428 A 43 GLU H A 42 LEU HA 1.0 . 4.5 2227 1429 A 43 GLU HA A 43 GLU H 1.0 . 3.5 2228 1430 A 43 GLU H A 42 LEU HBy 1.0 . 3.5 2229 1430 A 43 GLU H A 42 LEU HBx 1.0 . 3.5 2230 1431 A 43 GLU H A 43 GLU HBx 1.0 . 2.8 2231 1431 A 43 GLU H A 43 GLU HBy 1.0 . 2.8 2232 1432 A 58 VAL HGy% A 43 GLU H 1.0 . 4.5 2233 1433 A 43 GLU H A 42 LEU H 1.0 . 3.5 2234 1434 A 42 LEU H A 41 VAL H 1.0 . 3.5 2235 1435 A 42 LEU H A 42 LEU HA 1.0 . 2.8 2236 1436 A 42 LEU H A 41 VAL HA 1.0 . 4.5 2237 1437 A 41 VAL HB A 42 LEU H 1.0 . 2.8 2238 1438 A 42 LEU H A 42 LEU HBy 1.0 . 2.8 2239 1438 A 42 LEU H A 42 LEU HBx 1.0 . 2.8 2240 1439 A 42 LEU HG A 42 LEU H 1.0 . 2.8 2241 1440 A 42 LEU H A 41 VAL HGy% 1.0 . 3.5 2242 1441 A 41 VAL H A 40 LEU H 1.0 . 2.8 2243 1442 A 42 LEU H A 41 VAL H 1.0 . 2.8 2244 1443 A 41 VAL H A 40 LEU HA 1.0 . 4.5 2245 1444 A 38 GLN HA A 41 VAL H 1.0 . 4.5 2246 1445 A 41 VAL H A 41 VAL HA 1.0 . 2.8 2247 1446 A 41 VAL HB A 41 VAL H 1.0 . 2.8 2248 1447 A 42 LEU HG A 41 VAL H 1.0 . 4.5 2249 1448 A 41 VAL H A 40 LEU HBx 1.0 . 4.5 2250 1448 A 41 VAL H A 40 LEU HBy 1.0 . 4.5 2251 1449 A 41 VAL H A 41 VAL HGy% 1.0 . 2.8 2252 1450 A 41 VAL HGx% A 41 VAL H 1.0 . 2.8 2253 1451 A 40 LEU H A 39 LEU H 1.0 . 3.5 2254 1452 A 41 VAL H A 40 LEU H 1.0 . 3.5 2255 1453 A 40 LEU H A 37 ASP HA 1.0 . 4.5 2256 1454 A 40 LEU HA A 40 LEU H 1.0 . 3.5 2257 1455 A 40 LEU HG A 40 LEU H 1.0 . 4.5 2258 1456 A 40 LEU H A 40 LEU HBx 1.0 . 2.8 2259 1456 A 40 LEU H A 40 LEU HBy 1.0 . 2.8 2260 1457 A 40 LEU H A 39 LEU HBx 1.0 . 4.5 2261 1457 A 39 LEU HBy A 40 LEU H 1.0 . 4.5 2262 1458 A 40 LEU H A 39 LEU H 1.0 . 3.5 2263 1459 A 39 LEU H A 38 GLN H 1.0 . 3.5 2264 1460 A 39 LEU HA A 39 LEU H 1.0 . 2.8 2265 1461 A 39 LEU H A 36 LEU HA 1.0 . 3.5 2266 1462 A 39 LEU H A 38 GLN HGx 1.0 . 4.5 2267 1462 A 38 GLN HGy A 39 LEU H 1.0 . 4.5 2268 1463 A 39 LEU H A 39 LEU HG 1.0 . 2.8 2269 1464 A 39 LEU H A 39 LEU HBx 1.0 . 2.8 2270 1464 A 39 LEU HBy A 39 LEU H 1.0 . 2.8 2271 1465 A 39 LEU H A 38 GLN H 1.0 . 2.8 2272 1466 A 38 GLN H A 37 ASP H 1.0 . 2.8 2273 1467 A 38 GLN HA A 38 GLN H 1.0 . 2.8 2274 1468 A 38 GLN H A 37 ASP HBy 1.0 . 3.5 2275 1468 A 37 ASP HBx A 38 GLN H 1.0 . 3.5 2276 1469 A 38 GLN H A 38 GLN HGx 1.0 . 2.8 2277 1469 A 38 GLN HGy A 38 GLN H 1.0 . 2.8 2278 1470 A 38 GLN H A 38 GLN HBx 1.0 . 2.8 2279 1470 A 38 GLN HBy A 38 GLN H 1.0 . 2.8 2280 1471 A 37 ASP H A 36 LEU H 1.0 . 2.8 2281 1472 A 38 GLN H A 37 ASP H 1.0 . 2.8 2282 1473 A 35 ALA H A 37 ASP H 1.0 . 5.5 2283 1474 A 37 ASP H A 36 LEU HA 1.0 . 4.5 2284 1475 A 37 ASP H A 37 ASP HBy 1.0 . 2.8 2285 1475 A 37 ASP HBx A 37 ASP H 1.0 . 2.8 2286 1476 A 37 ASP H A 36 LEU HG 1.0 . 4.5 2287 1477 A 37 ASP H A 36 LEU H 1.0 . 2.8 2288 1478 A 35 ALA H A 36 LEU H 1.0 . 3.5 2289 1479 A 36 LEU H A 36 LEU HA 1.0 . 2.8 2290 1480 A 36 LEU H A 36 LEU HBy 1.0 . 2.8 2291 1480 A 36 LEU H A 36 LEU HBx 1.0 . 2.8 2292 1481 A 36 LEU H A 36 LEU HG 1.0 . 4.5 2293 1482 A 36 LEU H A 35 ALA HB% 1.0 . 2.8 2294 1483 A 35 ALA H A 36 LEU H 1.0 . 3.5 2295 1484 A 35 ALA H A 34 SER H 1.0 . 2.8 2296 1485 A 35 ALA H A 34 SER HBx 1.0 . 4.5 2297 1485 A 35 ALA H A 34 SER HBy 1.0 . 4.5 2298 1486 A 35 ALA H A 28 ALA HA 1.0 . 4.5 2299 1487 A 27 LEU HG A 35 ALA H 1.0 . 4.5 2300 1488 A 35 ALA H A 35 ALA HB% 1.0 . 2.8 2301 1489 A 33 ASN H A 34 SER H 1.0 . 2.8 2302 1490 A 35 ALA H A 34 SER H 1.0 . 3.5 2303 1491 A 34 SER H A 34 SER HBx 1.0 . 2.8 2304 1491 A 34 SER H A 34 SER HBy 1.0 . 2.8 2305 1492 A 33 ASN H A 32 CYS H 1.0 . 3.5 2306 1493 A 33 ASN H A 35 ALA H 1.0 . 4.5 2307 1494 A 33 ASN H A 32 CYS H 1.0 . 4.5 2308 1495 A 32 CYS H A 32 CYS HA 1.0 . 4.5 2309 1496 A 32 CYS H A 32 CYS HBy 1.0 . 3.5 2310 1496 A 32 CYS H A 32 CYS HBx 1.0 . 3.5 2311 1497 A 29 GLN H A 28 ALA H 1.0 . 2.8 2312 1498 A 29 GLN H A 26 SER HA 1.0 . 4.5 2313 1499 A 29 GLN H A 29 GLN HA 1.0 . 2.8 2314 1500 A 29 GLN H A 28 ALA HA 1.0 . 4.5 2315 1501 A 29 GLN H A 29 GLN HGy 1.0 . 2.8 2316 1501 A 29 GLN H A 29 GLN HGx 1.0 . 2.8 2317 1502 A 29 GLN H A 29 GLN HBx 1.0 . 2.8 2318 1502 A 29 GLN H A 29 GLN HBy 1.0 . 2.8 2319 1503 A 29 GLN H A 28 ALA HB% 1.0 . 2.8 2320 1504 A 31 ASP H A 30 ASN H 1.0 . 2.8 2321 1505 A 30 ASN H A 30 ASN HA 1.0 . 2.8 2322 1506 A 27 LEU HA A 30 ASN H 1.0 . 4.5 2323 1507 A 30 ASN H A 30 ASN HBy 1.0 . 2.8 2324 1507 A 30 ASN HBx A 30 ASN H 1.0 . 2.8 2325 1508 A 29 GLN HE2x A 29 GLN HGy 1.0 . 4.5 2326 1508 A 29 GLN HE2y A 29 GLN HGy 1.0 . 4.5 2327 1508 A 29 GLN HGx A 29 GLN HE2y 1.0 . 4.5 2328 1508 A 29 GLN HE2x A 29 GLN HGx 1.0 . 4.5 2329 1509 A 27 LEU H A 28 ALA H 1.0 . 2.8 2330 1510 A 29 GLN H A 28 ALA H 1.0 . 4.5 2331 1511 A 28 ALA H A 28 ALA HA 1.0 . 2.8 2332 1512 A 27 LEU HG A 28 ALA H 1.0 . 2.8 2333 1513 A 28 ALA H A 35 ALA HB% 1.0 . 2.8 2334 1514 A 28 ALA H A 28 ALA HB% 1.0 . 2.8 2335 1515 A 28 ALA H A 27 LEU HBy 1.0 . 2.8 2336 1515 A 28 ALA H A 27 LEU HBx 1.0 . 2.8 2337 1516 A 27 LEU H A 28 ALA H 1.0 . 2.8 2338 1517 A 27 LEU H A 26 SER H 1.0 . 3.5 2339 1518 A 27 LEU HA A 27 LEU H 1.0 . 2.8 2340 1519 A 27 LEU H A 26 SER HBx 1.0 . 2.8 2341 1519 A 27 LEU H A 26 SER HBy 1.0 . 2.8 2342 1520 A 24 ILE HA A 27 LEU H 1.0 . 4.5 2343 1521 A 27 LEU H A 24 ILE HB 1.0 . 4.5 2344 1522 A 27 LEU H A 35 ALA HB% 1.0 . 4.5 2345 1523 A 27 LEU H A 28 ALA HB% 1.0 . 4.5 2346 1524 A 25 ASP H A 26 SER H 1.0 . 2.8 2347 1525 A 27 LEU H A 26 SER H 1.0 . 2.8 2348 1526 A 22 PRO HA A 26 SER H 1.0 . 4.5 2349 1527 A 23 LYS HA A 26 SER H 1.0 . 4.5 2350 1528 A 26 SER H A 26 SER HBx 1.0 . 2.8 2351 1528 A 26 SER H A 26 SER HBy 1.0 . 2.8 2352 1529 A 26 SER H A 25 ASP HBy 1.0 . 2.8 2353 1529 A 25 ASP HBx A 26 SER H 1.0 . 2.8 2354 1530 A 25 ASP H A 24 ILE H 1.0 . 2.8 2355 1531 A 25 ASP H A 26 SER H 1.0 . 3.5 2356 1532 A 25 ASP H A 23 LYS H 1.0 . 4.5 2357 1533 A 25 ASP H A 22 PRO HA 1.0 . 3.5 2358 1534 A 25 ASP H A 25 ASP HA 1.0 . 2.8 2359 1535 A 23 LYS HA A 25 ASP H 1.0 . 4.5 2360 1536 A 25 ASP H A 24 ILE HA 1.0 . 4.5 2361 1537 A 25 ASP H A 25 ASP HBy 1.0 . 2.8 2362 1537 A 25 ASP H A 25 ASP HBx 1.0 . 2.8 2363 1538 A 25 ASP H A 22 PRO HBy 1.0 . 4.5 2364 1538 A 25 ASP H A 22 PRO HBx 1.0 . 4.5 2365 1539 A 25 ASP H A 24 ILE H 1.0 . 3.5 2366 1540 A 24 ILE H A 23 LYS H 1.0 . 3.5 2367 1541 A 24 ILE H A 24 ILE HA 1.0 . 3.5 2368 1542 A 24 ILE H A 23 LYS H 1.0 . 2.8 2369 1543 A 23 LYS H A 20 GLU HA 1.0 . 4.5 2370 1544 A 23 LYS HA A 23 LYS H 1.0 . 2.8 2371 1545 A 23 LYS H A 22 PRO HDx 1.0 . 3.5 2372 1545 A 23 LYS H A 22 PRO HDy 1.0 . 3.5 2373 1546 A 23 LYS H A 22 PRO HBy 1.0 . 4.5 2374 1546 A 22 PRO HBx A 23 LYS H 1.0 . 4.5 2375 1547 A 23 LYS H A 23 LYS HGx 1.0 . 3.5 2376 1547 A 23 LYS H A 23 LYS HGy 1.0 . 3.5 2377 1548 A 20 GLU H A 21 PHE H 1.0 . 3.5 2378 1549 A 20 GLU HA A 21 PHE H 1.0 . 4.5 2379 1550 A 21 PHE H A 19 GLU HGx 1.0 . 4.5 2380 1550 A 19 GLU HGy A 21 PHE H 1.0 . 4.5 2381 1551 A 21 PHE H A 20 GLU HBx 1.0 . 4.5 2382 1551 A 20 GLU HBy A 21 PHE H 1.0 . 4.5 2383 1552 A 20 GLU H A 21 PHE H 1.0 . 3.5 2384 1553 A 20 GLU H A 19 GLU H 1.0 . 2.8 2385 1554 A 20 GLU H A 18 LYS H 1.0 . 5.5 2386 1555 A 20 GLU H A 20 GLU HA 1.0 . 3.5 2387 1556 A 20 GLU H A 19 GLU HA 1.0 . 4.5 2388 1557 A 20 GLU H A 16 ILE HA 1.0 . 4.5 2389 1558 A 20 GLU H A 17 LEU HA 1.0 . 4.5 2390 1559 A 20 GLU H A 20 GLU HGx 1.0 . 2.8 2391 1559 A 20 GLU H A 20 GLU HGy 1.0 . 2.8 2392 1560 A 20 GLU H A 19 GLU HGx 1.0 . 2.8 2393 1560 A 20 GLU H A 19 GLU HGy 1.0 . 2.8 2394 1561 A 20 GLU H A 20 GLU HBx 1.0 . 2.8 2395 1561 A 20 GLU H A 20 GLU HBy 1.0 . 2.8 2396 1562 A 20 GLU H A 19 GLU H 1.0 . 2.8 2397 1563 A 19 GLU H A 18 LYS H 1.0 . 2.8 2398 1564 A 19 GLU H A 19 GLU HA 1.0 . 2.8 2399 1565 A 19 GLU H A 20 GLU HA 1.0 . 5.5 2400 1566 A 19 GLU H A 15 GLN HA 1.0 . 5.5 2401 1567 A 19 GLU H A 18 LYS HA 1.0 . 3.5 2402 1568 A 19 GLU H A 16 ILE HA 1.0 . 3.5 2403 1569 A 19 GLU H A 22 PRO HDx 1.0 . 4.5 2404 1569 A 19 GLU H A 22 PRO HDy 1.0 . 4.5 2405 1570 A 19 GLU H A 20 GLU HGx 1.0 . 4.5 2406 1570 A 19 GLU H A 20 GLU HGy 1.0 . 4.5 2407 1571 A 19 GLU H A 19 GLU HBy 1.0 . 2.8 2408 1571 A 19 GLU H A 19 GLU HBx 1.0 . 2.8 2409 1572 A 19 GLU H A 18 LYS HBx 1.0 . 2.8 2410 1572 A 19 GLU H A 18 LYS HBy 1.0 . 2.8 2411 1573 A 17 LEU H A 18 LYS H 1.0 . 3.5 2412 1574 A 19 GLU H A 18 LYS H 1.0 . 2.8 2413 1575 A 15 GLN HA A 18 LYS H 1.0 . 3.5 2414 1576 A 16 ILE H A 17 LEU H 1.0 . 3.5 2415 1577 A 17 LEU H A 18 LYS H 1.0 . 3.5 2416 1578 A 17 LEU H A 14 SER HA 1.0 . 3.5 2417 1579 A 17 LEU H A 17 LEU HA 1.0 . 3.5 2418 1580 A 17 LEU H A 16 ILE HB 1.0 . 2.8 2419 1581 A 17 LEU H A 17 LEU HG 1.0 . 2.8 2420 1582 A 17 LEU H A 17 LEU HBy 1.0 . 2.8 2421 1582 A 17 LEU H A 17 LEU HBx 1.0 . 2.8 2422 1583 A 16 ILE H A 15 GLN H 1.0 . 2.8 2423 1584 A 16 ILE H A 13 TYR HA 1.0 . 4.5 2424 1585 A 16 ILE H A 16 ILE HA 1.0 . 2.8 2425 1586 A 16 ILE H A 15 GLN HGx 1.0 . 4.5 2426 1586 A 16 ILE H A 15 GLN HGy 1.0 . 4.5 2427 1587 A 16 ILE H A 16 ILE HB 1.0 . 2.8 2428 1588 A 16 ILE H A 16 ILE HG1y 1.0 . 3.5 2429 1588 A 16 ILE H A 16 ILE HG1x 1.0 . 3.5 2430 1589 A 15 GLN H A 14 SER H 1.0 . 3.5 2431 1590 A 16 ILE H A 15 GLN H 1.0 . 2.8 2432 1591 A 15 GLN H A 15 GLN HA 1.0 . 2.8 2433 1592 A 14 SER HA A 15 GLN H 1.0 . 4.5 2434 1593 A 15 GLN H A 15 GLN HGx 1.0 . 2.8 2435 1593 A 15 GLN H A 15 GLN HGy 1.0 . 2.8 2436 1594 A 15 GLN H A 15 GLN HBx 1.0 . 2.8 2437 1594 A 15 GLN H A 15 GLN HBy 1.0 . 2.8 2438 1595 A 13 TYR H A 14 SER H 1.0 . 4.5 2439 1596 A 15 GLN H A 14 SER H 1.0 . 3.5 2440 1597 A 13 TYR HA A 14 SER H 1.0 . 3.5 2441 1598 A 14 SER HA A 14 SER H 1.0 . 2.8 2442 1599 A 14 SER H A 14 SER HBx 1.0 . 3.5 2443 1599 A 14 SER H A 14 SER HBy 1.0 . 3.5 2444 1600 A 14 SER H A 13 TYR HBy 1.0 . 4.5 2445 1600 A 13 TYR HBx A 14 SER H 1.0 . 4.5 2446 1601 A 13 TYR H A 14 SER H 1.0 . 4.5 2447 1602 A 13 TYR HA A 13 TYR H 1.0 . 4.5 2448 1603 A 13 TYR H A 13 TYR HBy 1.0 . 4.5 2449 1603 A 13 TYR HBx A 13 TYR H 1.0 . 4.5 2450 1604 A 12 ASP H A 11 LYS HA 1.0 . 3.5 2451 1605 A 12 ASP H A 12 ASP HBy 1.0 . 2.8 2452 1605 A 12 ASP H A 12 ASP HBx 1.0 . 2.8 2453 1606 A 12 ASP H A 11 LYS HGy 1.0 . 4.5 2454 1606 A 12 ASP H A 11 LYS HGx 1.0 . 4.5 2455 1607 A 11 LYS H A 10 ASP H 1.0 . 2.8 2456 1608 A 11 LYS H A 10 ASP HA 1.0 . 3.5 2457 1609 A 11 LYS H A 9 ALA HA 1.0 . 4.5 2458 1610 A 11 LYS HA A 11 LYS H 1.0 . 2.8 2459 1611 A 9 ALA HB% A 11 LYS H 1.0 . 3.5 2460 1612 A 11 LYS H A 11 LYS HBx 1.0 . 3.5 2461 1612 A 11 LYS HBy A 11 LYS H 1.0 . 3.5 2462 1613 A 11 LYS H A 10 ASP H 1.0 . 2.8 2463 1614 A 10 ASP H A 10 ASP HA 1.0 . 2.8 2464 1615 A 10 ASP H A 9 ALA HA 1.0 . 2.8 2465 1616 A 10 ASP H A 10 ASP HBx 1.0 . 2.8 2466 1616 A 10 ASP HBy A 10 ASP H 1.0 . 2.8 2467 1617 A 9 ALA HB% A 10 ASP H 1.0 . 3.5 2468 1618 A 8 LYS H A 7 ILE HA 1.0 . 2.8 2469 1619 A 4 ASP H A 4 ASP HBx 1.0 . 4.5 2470 1619 A 4 ASP HBy A 4 ASP H 1.0 . 4.5 2471 1620 A 108 LYS H A 107 SER H 1.0 . 4.5 2472 1621 A 96 MET H A 96 MET HA 1.0 . 3.5 2473 1622 A 96 MET H A 96 MET HBy 1.0 . 2.8 2474 1622 A 96 MET H A 96 MET HBx 1.0 . 2.8 2475 1623 A 74 ASP H A 73 ASP H 1.0 . 2.8 2476 1624 A 74 ASP H A 73 ASP HA 1.0 . 4.5 2477 1625 A 74 ASP HA A 74 ASP H 1.0 . 2.8 2478 1626 A 74 ASP H A 73 ASP HBx 1.0 . 2.8 2479 1626 A 74 ASP H A 73 ASP HBy 1.0 . 2.8 2480 1627 A 74 ASP H A 74 ASP HBy 1.0 . 2.8 2481 1627 A 74 ASP HBx A 74 ASP H 1.0 . 2.8 2482 1628 A 74 ASP H A 71 LYS HGx 1.0 . 5.5 2483 1628 A 74 ASP H A 71 LYS HGy 1.0 . 5.5 2484 1629 A 72 TRP H A 71 LYS HA 1.0 . 2.8 2485 1630 A 33 ASN HA A 33 ASN H 1.0 . 2.8 2486 1631 A 33 ASN H A 34 SER H 1.0 . 2.8 2487 1632 A 31 ASP H A 30 ASN H 1.0 . 2.8 2488 1633 A 29 GLN H A 31 ASP H 1.0 . 4.5 2489 1634 A 31 ASP H A 30 ASN HA 1.0 . 4.5 2490 1635 A 59 LEU HA A 60 ALA H 1.0 . 3.5 2491 1636 A 18 LYS HA A 18 LYS H 1.0 . 2.8 2492 1637 A 17 LEU HA A 18 LYS H 1.0 . 4.5 2493 1638 A 18 LYS H A 18 LYS HBx 1.0 . 2.8 2494 1638 A 18 LYS HBy A 18 LYS H 1.0 . 2.8 2495 1639 A 6 PRO HA A 7 ILE H 1.0 . 2.8 2496 1640 A 7 ILE HA A 7 ILE H 1.0 . 2.8 2497 1641 A 7 ILE HB A 7 ILE H 1.0 . 2.8 2498 1642 A 7 ILE H A 7 ILE HG1y 1.0 . 3.5 2499 1642 A 7 ILE H A 7 ILE HG1x 1.0 . 3.5 2500 1643 A 72 TRP HE1 A 70 ASN H 1.0 . 4.5 2501 1644 A 72 TRP HD1 A 72 TRP HE1 1.0 . 2.8 2502 1645 A 72 TRP HE1 A 70 ASN HA 1.0 . 2.8 2503 1646 A 72 TRP HE1 A 70 ASN HBy 1.0 . 3.5 2504 1646 A 72 TRP HE1 A 70 ASN HBx 1.0 . 3.5 2505 1647 A 72 TRP HE1 A 67 ALA HA 1.0 . 5.5 2506 1648 A 123 ARG HE A 123 ARG HH2% 1.0 . 4.5 2507 1649 A 123 ARG HE A 123 ARG HDy 1.0 . 4.5 2508 1649 A 123 ARG HDx A 123 ARG HE 1.0 . 4.5 2509 1650 A 123 ARG HE A 123 ARG HBy 1.0 . 4.5 2510 1650 A 123 ARG HBx A 123 ARG HE 1.0 . 4.5 2511 1651 A 123 ARG HE A 123 ARG HGy 1.0 . 4.5 2512 1651 A 123 ARG HGx A 123 ARG HE 1.0 . 4.5 2513 1652 A 115 ARG HH2% A 115 ARG HE 1.0 . 4.5 2514 1653 A 115 ARG HE A 115 ARG HDx 1.0 . 4.5 2515 1653 A 115 ARG HE A 115 ARG HDy 1.0 . 4.5 2516 1654 A 115 ARG HE A 105 LYS HBx 1.0 . 5.5 2517 1654 A 115 ARG HE A 105 LYS HBy 1.0 . 5.5 2518 1655 A 29 GLN HBx A 30 ASN HD2y 1.0 . 4.5 2519 1655 A 30 ASN HD2x A 29 GLN HBx 1.0 . 4.5 2520 1655 A 29 GLN HBy A 30 ASN HD2x 1.0 . 4.5 2521 1655 A 29 GLN HBy A 30 ASN HD2y 1.0 . 4.5 2522 1656 A 82 LEU H A 80 THR H 1.0 . 5.5 2523 1657 A 70 ASN HBy A 70 ASN HD2y 1.0 . 4.5 2524 1657 A 70 ASN HBx A 70 ASN HD2y 1.0 . 4.5 2525 1657 A 70 ASN HD2x A 70 ASN HBy 1.0 . 4.5 2526 1657 A 70 ASN HBx A 70 ASN HD2x 1.0 . 4.5 2527 1658 A 124 VAL HA A 128 ASN HD2x 1.0 . 5.5 2528 1658 A 128 ASN HD2y A 124 VAL HA 1.0 . 5.5 2529 1659 A 128 ASN HBx A 128 ASN HD2x 1.0 . 3.5 2530 1659 A 128 ASN HD2y A 128 ASN HBy 1.0 . 3.5 2531 1659 A 128 ASN HBx A 128 ASN HD2y 1.0 . 3.5 2532 1659 A 128 ASN HBy A 128 ASN HD2x 1.0 . 3.5 2533 1660 A 124 VAL HGx% A 128 ASN HD2x 1.0 . 4.5 2534 1660 A 128 ASN HD2y A 124 VAL HGx% 1.0 . 4.5 2535 1661 A 15 GLN HA A 15 GLN HE2x 1.0 . 4.5 2536 1661 A 15 GLN HA A 15 GLN HE2y 1.0 . 4.5 2537 1662 A 15 GLN HE2y A 15 GLN HGx 1.0 . 2.8 2538 1662 A 15 GLN HE2x A 15 GLN HGx 1.0 . 2.8 2539 1662 A 15 GLN HGy A 15 GLN HE2x 1.0 . 2.8 2540 1662 A 15 GLN HGy A 15 GLN HE2y 1.0 . 2.8 2541 1663 A 15 GLN HBx A 15 GLN HE2x 1.0 . 4.5 2542 1663 A 15 GLN HBy A 15 GLN HE2x 1.0 . 4.5 2543 1663 A 15 GLN HE2y A 15 GLN HBx 1.0 . 4.5 2544 1663 A 15 GLN HBy A 15 GLN HE2y 1.0 . 4.5 2545 1664 A 94 GLN HE2x A 94 GLN HGy 1.0 . 4.5 2546 1664 A 94 GLN HE2y A 94 GLN HGy 1.0 . 4.5 2547 1664 A 94 GLN HGx A 94 GLN HE2y 1.0 . 4.5 2548 1664 A 94 GLN HGx A 94 GLN HE2x 1.0 . 4.5 2549 1665 A 94 GLN HBy A 94 GLN HE2y 1.0 . 4.5 2550 1665 A 94 GLN HBx A 94 GLN HE2y 1.0 . 4.5 2551 1665 A 94 GLN HE2x A 94 GLN HBx 1.0 . 4.5 2552 1665 A 94 GLN HBy A 94 GLN HE2x 1.0 . 4.5 2553 1666 A 98 GLN HE2y A 98 GLN HGy 1.0 . 4.5 2554 1666 A 98 GLN HE2x A 98 GLN HGy 1.0 . 4.5 2555 1666 A 98 GLN HGx A 98 GLN HE2y 1.0 . 4.5 2556 1666 A 98 GLN HGx A 98 GLN HE2x 1.0 . 4.5 2557 1667 A 54 SER H A 55 SER H 1.0 . 2.8 2558 1668 A 56 LYS H A 55 SER H 1.0 . 2.8 2559 1669 A 58 VAL HGy% A 55 SER H 1.0 . 4.5 2560 1670 A 54 SER HA A 15 GLN H 1.0 . 5.5 2561 1671 A 8 LYS H A 7 ILE H 1.0 . 4.5 2562 1672 A 11 LYS H A 11 LYS HGy 1.0 . 4.5 2563 1672 A 11 LYS HGx A 11 LYS H 1.0 . 4.5 2564 1673 A 16 ILE H A 14 SER H 1.0 . 5.5 2565 1674 A 18 LYS H A 19 GLU HBy 1.0 . 4.5 2566 1674 A 19 GLU HBx A 18 LYS H 1.0 . 4.5 2567 1675 A 19 GLU H A 21 PHE H 1.0 . 4.5 2568 1676 A 21 PHE H A 20 GLU HGx 1.0 . 5.5 2569 1676 A 20 GLU HGy A 21 PHE H 1.0 . 5.5 2570 1677 A 23 LYS H A 23 LYS HEx 1.0 . 4.5 2571 1677 A 23 LYS H A 23 LYS HEy 1.0 . 4.5 2572 1678 A 25 ASP H A 27 LEU H 1.0 . 4.5 2573 1679 A 24 ILE H A 26 SER H 1.0 . 4.5 2574 1680 A 33 ASN H A 35 ALA HB% 1.0 . 4.5 2575 1681 A 35 ALA HB% A 34 SER H 1.0 . 4.5 2576 1682 A 42 LEU HG A 40 LEU H 1.0 . 5.5 2577 1683 A 42 LEU H A 40 LEU HBx 1.0 . 5.5 2578 1683 A 42 LEU H A 40 LEU HBy 1.0 . 5.5 2579 1684 A 44 LYS H A 43 GLU HBx 1.0 . 3.5 2580 1684 A 44 LYS H A 43 GLU HBy 1.0 . 3.5 2581 1685 A 51 ASP H A 49 ALA H 1.0 . 4.5 2582 1686 A 48 GLN H A 50 SER H 1.0 . 4.5 2583 1687 A 64 ASP H A 66 LEU H 1.0 . 4.5 2584 1688 A 66 LEU H A 63 VAL HA 1.0 . 4.5 2585 1689 A 68 SER H A 67 ALA HA 1.0 . 3.5 2586 1690 A 73 ASP HA A 72 TRP H 1.0 . 5.5 2587 1691 A 72 TRP H A 70 ASN HA 1.0 . 4.5 2588 1692 A 74 ASP H A 71 LYS HA 1.0 . 4.5 2589 1693 A 65 LEU H A 62 ILE H 1.0 . 5.5 2590 1694 A 81 LEU H A 80 THR HA 1.0 . 4.5 2591 1695 A 86 HIS H A 86 HIS HA 1.0 . 4.5 2592 1696 A 90 LYS H A 89 LEU H 1.0 . 4.5 2593 1697 A 93 ILE H A 92 SER HA 1.0 . 4.5 2594 1698 A 91 LEU HA A 95 TYR H 1.0 . 5.5 2595 1699 A 28 ALA HA A 31 ASP H 1.0 . 3.5 2596 1700 A 98 GLN H A 96 MET HA 1.0 . 4.5 2597 1701 A 98 GLN H A 99 LYS HGy 1.0 . 4.5 2598 1701 A 98 GLN H A 99 LYS HGx 1.0 . 4.5 2599 1702 A 124 VAL H A 123 ARG HGy 1.0 . 4.5 2600 1702 A 124 VAL H A 123 ARG HGx 1.0 . 4.5 2601 1703 A 124 VAL H A 120 GLU HA 1.0 . 4.5 2602 1704 A 118 VAL HGy% A 115 ARG H 1.0 . 4.5 2603 1705 A 116 ILE H A 115 ARG HA 1.0 . 4.5 2604 1706 A 116 ILE H A 115 ARG HDx 1.0 . 4.5 2605 1706 A 116 ILE H A 115 ARG HDy 1.0 . 4.5 2606 1707 A 119 ILE H A 117 SER H 1.0 . 4.5 2607 1708 A 119 ILE HB A 118 VAL H 1.0 . 4.5 2608 1709 A 124 VAL HGx% A 123 ARG H 1.0 . 4.5 2609 1710 A 128 ASN HA A 127 GLU H 1.0 . 5.5 2610 1711 A 127 GLU H A 128 ASN HBy 1.0 . 4.5 2611 1711 A 128 ASN HBx A 127 GLU H 1.0 . 4.5 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.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 Hz . . 11363.636 . . . . 2 Hz . . 15290.520 . . . . 3 Hz . . 11389.522 . . . . 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.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 Hz . . 11363.636 . . . . 2 Hz . . 2214.349 . . . . 3 Hz . . 11389.522 . . . . stop_ save_