data_nef_c25397_2mx8 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 25398 PDB 2MX8 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 25 CYS SG 1 96 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 SER middle . . 3 A 3 GLY middle . false 4 A 4 ASN middle . . 5 A 5 SER middle . . 6 A 6 GLN middle . . 7 A 7 PRO middle . false 8 A 8 ILE middle . . 9 A 9 TRP middle . . 10 A 10 THR middle . . 11 A 11 ASN middle . . 12 A 12 PRO middle . false 13 A 13 ASN middle . . 14 A 14 ALA middle . . 15 A 15 ALA middle . . 16 A 16 MET middle . . 17 A 17 THR middle . . 18 A 18 MET middle . . 19 A 19 THR middle . . 20 A 20 ASN middle . . 21 A 21 ASN middle . . 22 A 22 LEU middle . . 23 A 23 VAL middle . . 24 A 24 GLN middle . . 25 A 25 CYS middle -HG . 26 A 26 ALA middle . . 27 A 27 SER middle . . 28 A 28 ARG middle . . 29 A 29 SER middle . . 30 A 30 GLY middle . false 31 A 31 VAL middle . . 32 A 32 LEU middle . . 33 A 33 THR middle . . 34 A 34 ALA middle . . 35 A 35 ASP middle . . 36 A 36 GLN middle . . 37 A 37 MET middle . . 38 A 38 ASP middle . . 39 A 39 ASP middle . . 40 A 40 MET middle . . 41 A 41 GLY middle . false 42 A 42 MET middle . . 43 A 43 MET middle . . 44 A 44 ALA middle . . 45 A 45 ASP middle . . 46 A 46 SER middle . . 47 A 47 VAL middle . . 48 A 48 ASN middle . . 49 A 49 SER middle . . 50 A 50 GLN middle . . 51 A 51 MET middle . . 52 A 52 GLN middle . . 53 A 53 LYS middle . . 54 A 54 MET middle . . 55 A 55 GLY middle . false 56 A 56 PRO middle . false 57 A 57 ASN middle . . 58 A 58 PRO middle . false 59 A 59 PRO middle . false 60 A 60 GLN middle . . 61 A 61 HIS middle . . 62 A 62 ARG middle . . 63 A 63 LEU middle . . 64 A 64 ARG middle . . 65 A 65 ALA middle . . 66 A 66 MET middle . . 67 A 67 ASN middle . . 68 A 68 THR middle . . 69 A 69 ALA middle . . 70 A 70 MET middle . . 71 A 71 ALA middle . . 72 A 72 ALA middle . . 73 A 73 GLU middle . . 74 A 74 VAL middle . . 75 A 75 ALA middle . . 76 A 76 GLU middle . . 77 A 77 VAL middle . . 78 A 78 VAL middle . . 79 A 79 ALA middle . . 80 A 80 THR middle . . 81 A 81 SER middle . . 82 A 82 PRO middle . false 83 A 83 PRO middle . false 84 A 84 GLN middle . . 85 A 85 SER middle . . 86 A 86 TYR middle . . 87 A 87 SER middle . . 88 A 88 ALA middle . . 89 A 89 VAL middle . . 90 A 90 LEU middle . . 91 A 91 ASN middle . . 92 A 92 THR middle . . 93 A 93 ILE middle . . 94 A 94 GLY middle . false 95 A 95 ALA middle . . 96 A 96 CYS middle -HG . 97 A 97 LEU middle . . 98 A 98 ARG middle . . 99 A 99 GLU middle . . 100 A 100 SER middle . . 101 A 101 MET middle . . 102 A 102 MET middle . . 103 A 103 GLN middle . . 104 A 104 ALA middle . . 105 A 105 THR middle . . 106 A 106 GLY middle . false 107 A 107 SER middle . . 108 A 108 VAL middle . . 109 A 109 ASP middle . . 110 A 110 ASN middle . . 111 A 111 ALA middle . . 112 A 112 PHE middle . . 113 A 113 THR middle . . 114 A 114 ASN middle . . 115 A 115 GLU middle . . 116 A 116 VAL middle . . 117 A 117 MET middle . . 118 A 118 GLN middle . . 119 A 119 LEU middle . . 120 A 120 VAL middle . . 121 A 121 LYS middle . . 122 A 122 MET middle . . 123 A 123 LEU middle . . 124 A 124 SER middle . . 125 A 125 ALA middle . . 126 A 126 ASP middle . . 127 A 127 SER middle . . 128 A 128 ALA middle . . 129 A 129 ASN middle . . 130 A 130 GLU middle . . 131 A 131 VAL middle . . 132 A 132 SER middle . . 133 A 133 THR end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 5 SER H H 1 8.325 0.000 A 5 SER HA H 1 4.435 0.000 A 5 SER HBx H 1 3.837 0.000 A 5 SER HBy H 1 3.837 0.000 A 5 SER C C 13 174.089 0.000 A 5 SER CA C 13 58.194 0.000 A 5 SER CB C 13 63.627 0.000 A 5 SER N N 15 116.415 0.000 A 6 GLN H H 1 8.417 0.000 A 6 GLN HA H 1 4.634 0.000 A 6 GLN HBy H 1 2.035 0.000 A 6 GLN HBx H 1 1.857 0.000 A 6 GLN HE2x H 1 6.875 0.000 A 6 GLN HE2y H 1 7.500 0.000 A 6 GLN HGx H 1 2.324 0.000 A 6 GLN HGy H 1 2.324 0.000 A 6 GLN C C 13 173.798 0.000 A 6 GLN CA C 13 53.518 0.000 A 6 GLN CB C 13 29.017 0.000 A 6 GLN CG C 13 33.411 0.000 A 6 GLN N N 15 122.629 0.000 A 6 GLN NE2 N 15 112.181 0.000 A 7 PRO HA H 1 4.422 0.000 A 7 PRO HBy H 1 2.394 0.000 A 7 PRO HBx H 1 2.142 0.000 A 7 PRO HDx H 1 3.575 0.000 A 7 PRO HDy H 1 3.900 0.000 A 7 PRO HGx H 1 2.080 0.000 A 7 PRO HGy H 1 2.129 0.000 A 7 PRO CA C 13 62.550 0.000 A 7 PRO CB C 13 31.343 0.000 A 7 PRO CD C 13 50.317 0.000 A 7 PRO CG C 13 27.656 0.000 A 8 ILE H H 1 8.619 0.000 A 8 ILE HA H 1 4.424 0.000 A 8 ILE HB H 1 1.242 0.000 A 8 ILE HD1% H 1 0.499 0.000 A 8 ILE HG1x H 1 0.711 0.000 A 8 ILE HG1y H 1 0.861 0.000 A 8 ILE HG2% H 1 -0.634 0.000 A 8 ILE C C 13 175.228 0.000 A 8 ILE CA C 13 62.744 0.000 A 8 ILE CB C 13 37.459 0.000 A 8 ILE CD1 C 13 14.518 0.000 A 8 ILE CG1 C 13 28.312 0.000 A 8 ILE CG2 C 13 14.826 0.000 A 8 ILE N N 15 124.785 0.000 A 9 TRP H H 1 6.092 0.000 A 9 TRP HA H 1 4.399 0.000 A 9 TRP HBy H 1 3.520 0.000 A 9 TRP HBx H 1 2.655 0.000 A 9 TRP HD1 H 1 7.204 0.000 A 9 TRP HE1 H 1 10.771 0.000 A 9 TRP HE3 H 1 7.499 0.000 A 9 TRP HH2 H 1 7.235 0.000 A 9 TRP HZ2 H 1 7.343 0.000 A 9 TRP HZ3 H 1 6.875 0.000 A 9 TRP C C 13 175.255 0.000 A 9 TRP CA C 13 55.572 0.000 A 9 TRP CB C 13 30.628 0.000 A 9 TRP CD1 C 13 126.774 0.000 A 9 TRP CE3 C 13 120.227 0.000 A 9 TRP CH2 C 13 124.909 0.000 A 9 TRP CZ2 C 13 113.683 0.000 A 9 TRP CZ3 C 13 121.000 0.000 A 9 TRP N N 15 115.085 0.000 A 9 TRP NE1 N 15 130.338 0.000 A 10 THR H H 1 7.485 0.000 A 10 THR HA H 1 4.247 0.000 A 10 THR HB H 1 4.472 0.000 A 10 THR HG1 H 1 5.058 0.000 A 10 THR HG2% H 1 1.250 0.000 A 10 THR C C 13 173.550 0.000 A 10 THR CA C 13 62.458 0.000 A 10 THR CB C 13 69.351 0.000 A 10 THR CG2 C 13 22.400 0.000 A 10 THR N N 15 104.080 0.000 A 11 ASN H H 1 7.831 0.000 A 11 ASN HA H 1 5.225 0.000 A 11 ASN HBx H 1 2.605 0.000 A 11 ASN HBy H 1 3.171 0.000 A 11 ASN HD2y H 1 7.728 0.000 A 11 ASN HD2x H 1 6.980 0.000 A 11 ASN CA C 13 49.657 0.000 A 11 ASN CB C 13 38.857 0.000 A 11 ASN N N 15 120.167 0.000 A 11 ASN ND2 N 15 112.569 0.000 A 12 PRO HA H 1 4.283 0.000 A 12 PRO HBy H 1 2.361 0.000 A 12 PRO HBx H 1 2.020 0.000 A 12 PRO HDy H 1 3.930 0.000 A 12 PRO HDx H 1 3.668 0.000 A 12 PRO HGx H 1 2.150 0.000 A 12 PRO HGy H 1 2.150 0.000 A 12 PRO CA C 13 65.699 0.000 A 12 PRO CB C 13 32.203 0.000 A 12 PRO CD C 13 50.306 0.000 A 12 PRO CG C 13 27.681 0.000 A 13 ASN H H 1 8.325 0.000 A 13 ASN HA H 1 4.468 0.000 A 13 ASN HBx H 1 2.804 0.000 A 13 ASN HBy H 1 2.829 0.000 A 13 ASN HD2y H 1 7.709 0.000 A 13 ASN HD2x H 1 7.001 0.000 A 13 ASN C C 13 178.162 0.000 A 13 ASN CA C 13 56.545 0.000 A 13 ASN CB C 13 38.154 0.000 A 13 ASN N N 15 114.683 0.000 A 13 ASN ND2 N 15 113.165 0.000 A 14 ALA H H 1 7.526 0.000 A 14 ALA HA H 1 4.174 0.000 A 14 ALA HB% H 1 1.328 0.000 A 14 ALA C C 13 179.311 0.000 A 14 ALA CA C 13 54.562 0.000 A 14 ALA CB C 13 18.110 0.000 A 14 ALA N N 15 124.198 0.000 A 15 ALA H H 1 8.588 0.000 A 15 ALA HA H 1 3.574 0.000 A 15 ALA HB% H 1 1.397 0.000 A 15 ALA C C 13 180.242 0.000 A 15 ALA CA C 13 55.413 0.000 A 15 ALA CB C 13 18.440 0.000 A 15 ALA N N 15 120.896 0.000 A 16 MET H H 1 8.346 0.000 A 16 MET HA H 1 4.454 0.000 A 16 MET HBy H 1 2.185 0.000 A 16 MET HBx H 1 2.094 0.000 A 16 MET HE% H 1 2.071 0.000 A 16 MET HGx H 1 2.475 0.000 A 16 MET HGy H 1 2.767 0.000 A 16 MET C C 13 178.322 0.000 A 16 MET CA C 13 58.110 0.000 A 16 MET CB C 13 32.140 0.000 A 16 MET CE C 13 16.506 0.000 A 16 MET CG C 13 31.961 0.000 A 16 MET N N 15 117.464 0.000 A 17 THR H H 1 7.920 0.000 A 17 THR HA H 1 4.002 0.000 A 17 THR HB H 1 4.341 0.000 A 17 THR HG2% H 1 1.209 0.000 A 17 THR C C 13 176.334 0.000 A 17 THR CA C 13 66.809 0.000 A 17 THR CB C 13 68.252 0.000 A 17 THR CG2 C 13 21.121 0.000 A 17 THR N N 15 118.267 0.000 A 18 MET H H 1 8.508 0.000 A 18 MET HA H 1 3.781 0.000 A 18 MET HBx H 1 1.674 0.000 A 18 MET HBy H 1 2.129 0.000 A 18 MET HE% H 1 1.767 0.000 A 18 MET HGx H 1 2.380 0.000 A 18 MET HGy H 1 2.380 0.000 A 18 MET C C 13 177.536 0.000 A 18 MET CA C 13 59.838 0.000 A 18 MET CB C 13 31.272 0.000 A 18 MET CE C 13 17.045 0.000 A 18 MET CG C 13 31.271 0.000 A 18 MET N N 15 122.052 0.000 A 19 THR H H 1 8.386 0.000 A 19 THR HA H 1 3.697 0.000 A 19 THR HB H 1 4.251 0.000 A 19 THR HG1 H 1 4.925 0.000 A 19 THR HG2% H 1 1.310 0.000 A 19 THR C C 13 176.402 0.000 A 19 THR CA C 13 67.379 0.000 A 19 THR CB C 13 68.018 0.000 A 19 THR CG2 C 13 22.145 0.000 A 19 THR N N 15 114.823 0.000 A 20 ASN H H 1 8.453 0.000 A 20 ASN HA H 1 4.481 0.000 A 20 ASN HBx H 1 2.765 0.000 A 20 ASN HBy H 1 2.947 0.000 A 20 ASN HD2y H 1 7.542 0.000 A 20 ASN HD2x H 1 6.895 0.000 A 20 ASN C C 13 178.657 0.000 A 20 ASN CA C 13 56.440 0.000 A 20 ASN CB C 13 38.098 0.000 A 20 ASN N N 15 119.445 0.000 A 20 ASN ND2 N 15 112.041 0.000 A 21 ASN H H 1 8.615 0.000 A 21 ASN HA H 1 4.370 0.000 A 21 ASN HBy H 1 3.005 0.000 A 21 ASN HBx H 1 2.823 0.000 A 21 ASN HD2y H 1 7.432 0.000 A 21 ASN HD2x H 1 7.034 0.000 A 21 ASN C C 13 177.168 0.000 A 21 ASN CA C 13 56.473 0.000 A 21 ASN CB C 13 37.517 0.000 A 21 ASN N N 15 119.747 0.000 A 21 ASN ND2 N 15 111.083 0.000 A 22 LEU H H 1 8.608 0.000 A 22 LEU HA H 1 3.823 0.000 A 22 LEU HBy H 1 2.370 0.000 A 22 LEU HBx H 1 1.615 0.000 A 22 LEU HDx% H 1 0.852 0.000 A 22 LEU HDy% H 1 0.852 0.000 A 22 LEU HG H 1 1.402 0.000 A 22 LEU C C 13 178.031 0.000 A 22 LEU CA C 13 59.305 0.000 A 22 LEU CB C 13 41.445 0.000 A 22 LEU CDx C 13 23.745 0.000 A 22 LEU CDy C 13 23.989 0.000 A 22 LEU CG C 13 27.322 0.000 A 22 LEU N N 15 125.132 0.000 A 23 VAL H H 1 7.653 0.000 A 23 VAL HA H 1 3.328 0.000 A 23 VAL HB H 1 2.300 0.000 A 23 VAL HGx% H 1 1.128 0.000 A 23 VAL HGy% H 1 0.884 0.000 A 23 VAL C C 13 178.523 0.000 A 23 VAL CA C 13 67.348 0.000 A 23 VAL CB C 13 31.628 0.000 A 23 VAL CGy C 13 23.541 0.000 A 23 VAL CGx C 13 21.152 0.000 A 23 VAL N N 15 118.539 0.000 A 24 GLN H H 1 7.920 0.000 A 24 GLN HA H 1 4.048 0.000 A 24 GLN HBx H 1 2.111 0.000 A 24 GLN HBy H 1 2.111 0.000 A 24 GLN HE2x H 1 6.605 0.000 A 24 GLN HE2y H 1 7.367 0.000 A 24 GLN HGx H 1 2.400 0.000 A 24 GLN HGy H 1 2.471 0.000 A 24 GLN C C 13 178.060 0.000 A 24 GLN CA C 13 58.841 0.000 A 24 GLN CB C 13 28.337 0.000 A 24 GLN CG C 13 33.591 0.000 A 24 GLN N N 15 119.213 0.000 A 24 GLN NE2 N 15 110.621 0.000 A 25 CYS H H 1 8.946 0.000 A 25 CYS HA H 1 4.144 0.000 A 25 CYS HBy H 1 3.197 0.000 A 25 CYS HBx H 1 3.148 0.000 A 25 CYS C C 13 177.183 0.000 A 25 CYS CA C 13 59.518 0.000 A 25 CYS CB C 13 35.688 0.000 A 25 CYS N N 15 120.418 0.000 A 26 ALA H H 1 8.602 0.000 A 26 ALA HA H 1 3.792 0.000 A 26 ALA HB% H 1 1.400 0.000 A 26 ALA C C 13 180.912 0.000 A 26 ALA CA C 13 54.995 0.000 A 26 ALA CB C 13 17.515 0.000 A 26 ALA N N 15 123.286 0.000 A 27 SER H H 1 8.646 0.000 A 27 SER HA H 1 4.223 0.000 A 27 SER HBx H 1 4.104 0.000 A 27 SER HBy H 1 4.104 0.000 A 27 SER C C 13 176.423 0.000 A 27 SER CA C 13 62.126 0.000 A 27 SER CB C 13 63.001 0.000 A 27 SER N N 15 117.019 0.000 A 28 ARG H H 1 8.064 0.000 A 28 ARG HA H 1 4.174 0.000 A 28 ARG HBx H 1 1.935 0.000 A 28 ARG HBy H 1 1.935 0.000 A 28 ARG HDy H 1 3.226 0.000 A 28 ARG HDx H 1 3.153 0.000 A 28 ARG HGx H 1 1.777 0.000 A 28 ARG HGy H 1 1.777 0.000 A 28 ARG C C 13 177.864 0.000 A 28 ARG CA C 13 57.828 0.000 A 28 ARG CB C 13 30.316 0.000 A 28 ARG CD C 13 43.437 0.000 A 28 ARG CG C 13 27.715 0.000 A 28 ARG N N 15 118.976 0.000 A 29 SER H H 1 7.446 0.000 A 29 SER HA H 1 4.173 0.000 A 29 SER HBx H 1 4.050 0.000 A 29 SER HBy H 1 4.050 0.000 A 29 SER HG H 1 5.645 0.000 A 29 SER C C 13 175.610 0.000 A 29 SER CA C 13 60.980 0.000 A 29 SER CB C 13 64.190 0.000 A 29 SER N N 15 113.744 0.000 A 30 GLY H H 1 7.421 0.000 A 30 GLY HAy H 1 4.172 0.000 A 30 GLY HAx H 1 3.989 0.000 A 30 GLY C C 13 174.830 0.000 A 30 GLY CA C 13 46.299 0.000 A 30 GLY N N 15 109.951 0.000 A 31 VAL H H 1 7.874 0.000 A 31 VAL HA H 1 4.117 0.000 A 31 VAL HB H 1 2.117 0.000 A 31 VAL HGx% H 1 0.876 0.000 A 31 VAL HGy% H 1 0.912 0.000 A 31 VAL C C 13 175.718 0.000 A 31 VAL CA C 13 62.272 0.000 A 31 VAL CB C 13 32.852 0.000 A 31 VAL CGy C 13 21.411 0.000 A 31 VAL CGx C 13 20.775 0.000 A 31 VAL N N 15 116.043 0.000 A 32 LEU H H 1 8.046 0.000 A 32 LEU HA H 1 4.526 0.000 A 32 LEU HBx H 1 1.632 0.000 A 32 LEU HBy H 1 1.632 0.000 A 32 LEU HDx% H 1 0.821 0.000 A 32 LEU HDy% H 1 0.681 0.000 A 32 LEU HG H 1 1.565 0.000 A 32 LEU C C 13 177.827 0.000 A 32 LEU CA C 13 55.298 0.000 A 32 LEU CB C 13 42.126 0.000 A 32 LEU CDx C 13 25.653 0.000 A 32 LEU CDy C 13 25.674 0.000 A 32 LEU CG C 13 29.651 0.000 A 32 LEU N N 15 121.031 0.000 A 33 THR H H 1 9.114 0.000 A 33 THR HA H 1 4.317 0.000 A 33 THR HB H 1 4.807 0.000 A 33 THR HG2% H 1 1.379 0.000 A 33 THR C C 13 175.151 0.000 A 33 THR CA C 13 60.785 0.000 A 33 THR CB C 13 71.141 0.000 A 33 THR CG2 C 13 21.757 0.000 A 33 THR N N 15 112.877 0.000 A 34 ALA H H 1 8.913 0.000 A 34 ALA HA H 1 4.085 0.000 A 34 ALA HB% H 1 1.478 0.000 A 34 ALA C C 13 180.344 0.000 A 34 ALA CA C 13 55.549 0.000 A 34 ALA CB C 13 17.824 0.000 A 34 ALA N N 15 123.270 0.000 A 35 ASP H H 1 8.196 0.000 A 35 ASP HA H 1 4.355 0.000 A 35 ASP HBx H 1 2.500 0.000 A 35 ASP HBy H 1 2.749 0.000 A 35 ASP C C 13 178.293 0.000 A 35 ASP CA C 13 57.212 0.000 A 35 ASP CB C 13 40.149 0.000 A 35 ASP N N 15 116.774 0.000 A 36 GLN H H 1 7.717 0.000 A 36 GLN HA H 1 4.138 0.000 A 36 GLN HBx H 1 1.579 0.000 A 36 GLN HBy H 1 2.495 0.000 A 36 GLN HE2x H 1 6.703 0.000 A 36 GLN HE2y H 1 7.351 0.000 A 36 GLN HGy H 1 2.571 0.000 A 36 GLN HGx H 1 2.287 0.000 A 36 GLN C C 13 179.250 0.000 A 36 GLN CA C 13 58.841 0.000 A 36 GLN CB C 13 30.583 0.000 A 36 GLN CG C 13 35.571 0.000 A 36 GLN N N 15 118.724 0.000 A 36 GLN NE2 N 15 114.121 0.000 A 37 MET H H 1 8.536 0.000 A 37 MET HA H 1 4.154 0.000 A 37 MET HBx H 1 2.030 0.000 A 37 MET HBy H 1 2.301 0.000 A 37 MET HE% H 1 2.080 0.000 A 37 MET HGx H 1 2.339 0.000 A 37 MET HGy H 1 2.772 0.000 A 37 MET C C 13 180.178 0.000 A 37 MET CA C 13 57.540 0.000 A 37 MET CB C 13 30.727 0.000 A 37 MET CE C 13 15.413 0.000 A 37 MET CG C 13 30.996 0.000 A 37 MET N N 15 118.223 0.000 A 38 ASP H H 1 8.110 0.000 A 38 ASP HA H 1 4.473 0.000 A 38 ASP HBy H 1 2.931 0.000 A 38 ASP HBx H 1 2.751 0.000 A 38 ASP C C 13 179.544 0.000 A 38 ASP CA C 13 57.514 0.000 A 38 ASP CB C 13 39.777 0.000 A 38 ASP N N 15 123.761 0.000 A 39 ASP H H 1 8.188 0.000 A 39 ASP HA H 1 4.430 0.000 A 39 ASP HBy H 1 2.865 0.000 A 39 ASP HBx H 1 2.524 0.000 A 39 ASP C C 13 179.806 0.000 A 39 ASP CA C 13 57.536 0.000 A 39 ASP CB C 13 40.136 0.000 A 39 ASP N N 15 122.682 0.000 A 40 MET H H 1 8.717 0.000 A 40 MET HA H 1 4.308 0.000 A 40 MET HBx H 1 1.957 0.000 A 40 MET HBy H 1 2.507 0.000 A 40 MET HE% H 1 1.782 0.000 A 40 MET HGx H 1 2.489 0.000 A 40 MET HGy H 1 2.789 0.000 A 40 MET C C 13 178.148 0.000 A 40 MET CA C 13 57.279 0.000 A 40 MET CB C 13 31.276 0.000 A 40 MET CE C 13 16.860 0.000 A 40 MET CG C 13 33.814 0.000 A 40 MET N N 15 121.363 0.000 A 41 GLY H H 1 8.042 0.000 A 41 GLY HAx H 1 3.905 0.000 A 41 GLY HAy H 1 4.060 0.000 A 41 GLY C C 13 176.547 0.000 A 41 GLY CA C 13 47.154 0.000 A 41 GLY N N 15 106.940 0.000 A 42 MET H H 1 7.734 0.000 A 42 MET HA H 1 4.333 0.000 A 42 MET HBy H 1 2.232 0.000 A 42 MET HBx H 1 2.123 0.000 A 42 MET HE% H 1 2.117 0.000 A 42 MET HGx H 1 2.640 0.000 A 42 MET HGy H 1 2.734 0.000 A 42 MET C C 13 178.569 0.000 A 42 MET CA C 13 58.186 0.000 A 42 MET CB C 13 32.269 0.000 A 42 MET CE C 13 17.190 0.000 A 42 MET CG C 13 32.283 0.000 A 42 MET N N 15 120.905 0.000 A 43 MET H H 1 8.120 0.000 A 43 MET HA H 1 4.280 0.000 A 43 MET HBx H 1 2.081 0.000 A 43 MET HBy H 1 2.628 0.000 A 43 MET HE% H 1 2.022 0.000 A 43 MET HGy H 1 2.606 0.000 A 43 MET HGx H 1 2.496 0.000 A 43 MET C C 13 177.536 0.000 A 43 MET CA C 13 58.437 0.000 A 43 MET CB C 13 28.717 0.000 A 43 MET CE C 13 16.513 0.000 A 43 MET CG C 13 31.929 0.000 A 43 MET N N 15 122.664 0.000 A 44 ALA H H 1 8.014 0.000 A 44 ALA HA H 1 3.834 0.000 A 44 ALA HB% H 1 1.470 0.000 A 44 ALA C C 13 179.108 0.000 A 44 ALA CA C 13 55.553 0.000 A 44 ALA CB C 13 17.813 0.000 A 44 ALA N N 15 122.058 0.000 A 45 ASP H H 1 7.701 0.000 A 45 ASP HA H 1 4.453 0.000 A 45 ASP HBx H 1 2.751 0.000 A 45 ASP HBy H 1 2.751 0.000 A 45 ASP C C 13 179.078 0.000 A 45 ASP CA C 13 57.481 0.000 A 45 ASP CB C 13 40.972 0.000 A 45 ASP N N 15 117.159 0.000 A 46 SER H H 1 8.222 0.000 A 46 SER HA H 1 4.231 0.000 A 46 SER HBx H 1 3.980 0.000 A 46 SER HBy H 1 4.229 0.000 A 46 SER C C 13 178.119 0.000 A 46 SER CA C 13 60.800 0.000 A 46 SER CB C 13 62.759 0.000 A 46 SER N N 15 116.543 0.000 A 47 VAL H H 1 8.958 0.000 A 47 VAL HA H 1 3.451 0.000 A 47 VAL HB H 1 2.169 0.000 A 47 VAL HGx% H 1 1.012 0.000 A 47 VAL HGy% H 1 1.021 0.000 A 47 VAL C C 13 177.915 0.000 A 47 VAL CA C 13 66.731 0.000 A 47 VAL CB C 13 31.601 0.000 A 47 VAL CGx C 13 21.751 0.000 A 47 VAL CGy C 13 23.431 0.000 A 47 VAL N N 15 122.328 0.000 A 48 ASN H H 1 8.635 0.000 A 48 ASN HA H 1 4.476 0.000 A 48 ASN HBx H 1 2.783 0.000 A 48 ASN HBy H 1 3.078 0.000 A 48 ASN HD2y H 1 7.587 0.000 A 48 ASN HD2x H 1 6.706 0.000 A 48 ASN C C 13 178.329 0.000 A 48 ASN CA C 13 56.574 0.000 A 48 ASN CB C 13 37.884 0.000 A 48 ASN N N 15 118.431 0.000 A 48 ASN ND2 N 15 109.516 0.000 A 49 SER H H 1 8.207 0.000 A 49 SER HA H 1 4.212 0.000 A 49 SER HBx H 1 4.003 0.000 A 49 SER HBy H 1 4.049 0.000 A 49 SER C C 13 179.922 0.000 A 49 SER CA C 13 61.611 0.000 A 49 SER CB C 13 62.741 0.000 A 49 SER N N 15 114.623 0.000 A 50 GLN H H 1 8.155 0.000 A 50 GLN HA H 1 3.937 0.000 A 50 GLN HBx H 1 1.987 0.000 A 50 GLN HBy H 1 1.987 0.000 A 50 GLN HE2x H 1 6.813 0.000 A 50 GLN HE2y H 1 6.813 0.000 A 50 GLN HGy H 1 2.498 0.000 A 50 GLN HGx H 1 2.175 0.000 A 50 GLN C C 13 177.860 0.000 A 50 GLN CA C 13 59.208 0.000 A 50 GLN CB C 13 29.244 0.000 A 50 GLN CG C 13 34.928 0.000 A 50 GLN N N 15 121.014 0.000 A 50 GLN NE2 N 15 110.975 0.000 A 51 MET H H 1 8.548 0.000 A 51 MET HA H 1 4.185 0.000 A 51 MET HBx H 1 2.294 0.000 A 51 MET HBy H 1 2.294 0.000 A 51 MET HE% H 1 2.264 0.000 A 51 MET HGy H 1 2.857 0.000 A 51 MET HGx H 1 2.743 0.000 A 51 MET C C 13 179.370 0.000 A 51 MET CA C 13 58.493 0.000 A 51 MET CB C 13 31.569 0.000 A 51 MET CE C 13 17.483 0.000 A 51 MET CG C 13 31.926 0.000 A 51 MET N N 15 119.917 0.000 A 52 GLN H H 1 7.987 0.000 A 52 GLN HA H 1 4.073 0.000 A 52 GLN HBx H 1 2.205 0.000 A 52 GLN HBy H 1 2.205 0.000 A 52 GLN HE2y H 1 7.256 0.000 A 52 GLN HE2x H 1 6.858 0.000 A 52 GLN HGy H 1 2.645 0.000 A 52 GLN HGx H 1 2.469 0.000 A 52 GLN C C 13 177.892 0.000 A 52 GLN CA C 13 58.483 0.000 A 52 GLN CB C 13 28.510 0.000 A 52 GLN CG C 13 33.999 0.000 A 52 GLN N N 15 119.061 0.000 A 52 GLN NE2 N 15 111.196 0.000 A 53 LYS H H 1 7.523 0.000 A 53 LYS HA H 1 4.222 0.000 A 53 LYS HBx H 1 1.786 0.000 A 53 LYS HBy H 1 1.961 0.000 A 53 LYS HDx H 1 1.614 0.000 A 53 LYS HDy H 1 1.614 0.000 A 53 LYS HEx H 1 2.926 0.000 A 53 LYS HEy H 1 2.926 0.000 A 53 LYS HGx H 1 1.454 0.000 A 53 LYS HGy H 1 1.570 0.000 A 53 LYS C C 13 177.406 0.000 A 53 LYS CA C 13 56.849 0.000 A 53 LYS CB C 13 32.594 0.000 A 53 LYS CD C 13 28.975 0.000 A 53 LYS CE C 13 42.083 0.000 A 53 LYS CG C 13 25.039 0.000 A 53 LYS N N 15 117.129 0.000 A 54 MET H H 1 7.534 0.000 A 54 MET HA H 1 4.102 0.000 A 54 MET HBx H 1 2.006 0.000 A 54 MET HBy H 1 2.292 0.000 A 54 MET HE% H 1 1.933 0.000 A 54 MET HGx H 1 2.510 0.000 A 54 MET HGy H 1 2.752 0.000 A 54 MET C C 13 177.202 0.000 A 54 MET CA C 13 58.186 0.000 A 54 MET CB C 13 33.845 0.000 A 54 MET CE C 13 17.162 0.000 A 54 MET CG C 13 31.967 0.000 A 54 MET N N 15 118.230 0.000 A 55 GLY H H 1 7.765 0.000 A 55 GLY HAx H 1 3.946 0.000 A 55 GLY HAy H 1 4.178 0.000 A 55 GLY CA C 13 44.440 0.000 A 55 GLY N N 15 105.881 0.000 A 56 PRO HA H 1 4.435 0.000 A 56 PRO HBy H 1 2.264 0.000 A 56 PRO HBx H 1 1.924 0.000 A 56 PRO HDx H 1 3.534 0.000 A 56 PRO HDy H 1 3.651 0.000 A 56 PRO HGx H 1 2.028 0.000 A 56 PRO HGy H 1 2.028 0.000 A 56 PRO CA C 13 63.087 0.000 A 56 PRO CB C 13 32.224 0.000 A 56 PRO CD C 13 49.340 0.000 A 56 PRO CG C 13 26.837 0.000 A 57 ASN H H 1 8.943 0.000 A 57 ASN HA H 1 4.768 0.000 A 57 ASN HBy H 1 2.794 0.000 A 57 ASN HBx H 1 2.631 0.000 A 57 ASN HD2y H 1 7.659 0.000 A 57 ASN HD2x H 1 6.893 0.000 A 57 ASN CA C 13 52.344 0.000 A 57 ASN CB C 13 38.829 0.000 A 57 ASN N N 15 117.016 0.000 A 57 ASN ND2 N 15 113.049 0.000 A 58 PRO HBx H 1 2.140 0.000 A 58 PRO HBy H 1 2.140 0.000 A 58 PRO HDx H 1 3.504 0.000 A 58 PRO HDy H 1 3.752 0.000 A 58 PRO HGx H 1 1.939 0.000 A 58 PRO HGy H 1 1.939 0.000 A 58 PRO CB C 13 31.260 0.000 A 58 PRO CD C 13 49.985 0.000 A 58 PRO CG C 13 27.430 0.000 A 59 PRO HA H 1 4.590 0.000 A 59 PRO HBx H 1 1.783 0.000 A 59 PRO HBy H 1 2.464 0.000 A 59 PRO HDy H 1 3.910 0.000 A 59 PRO HDx H 1 3.388 0.000 A 59 PRO HGy H 1 2.147 0.000 A 59 PRO HGx H 1 1.683 0.000 A 59 PRO CA C 13 61.784 0.000 A 59 PRO CB C 13 32.558 0.000 A 59 PRO CD C 13 50.300 0.000 A 59 PRO CG C 13 27.662 0.000 A 61 HIS HA H 1 4.328 0.000 A 61 HIS HBx H 1 3.112 0.000 A 61 HIS HBy H 1 3.240 0.000 A 61 HIS HD2 H 1 7.081 0.000 A 61 HIS HE1 H 1 7.974 0.000 A 61 HIS CA C 13 59.179 0.000 A 61 HIS CB C 13 28.989 0.000 A 61 HIS CD2 C 13 119.250 0.000 A 61 HIS CE1 C 13 138.104 0.000 A 62 ARG H H 1 6.829 0.000 A 62 ARG HA H 1 4.071 0.000 A 62 ARG HBy H 1 1.788 0.000 A 62 ARG HBx H 1 1.684 0.000 A 62 ARG HDx H 1 3.122 0.000 A 62 ARG HDy H 1 3.205 0.000 A 62 ARG HGy H 1 1.530 0.000 A 62 ARG HGx H 1 1.397 0.000 A 62 ARG C C 13 178.308 0.000 A 62 ARG CA C 13 57.217 0.000 A 62 ARG CB C 13 29.637 0.000 A 62 ARG CD C 13 42.449 0.000 A 62 ARG CG C 13 26.731 0.000 A 62 ARG N N 15 119.417 0.000 A 63 LEU H H 1 7.360 0.000 A 63 LEU HA H 1 3.889 0.000 A 63 LEU HBy H 1 2.030 0.000 A 63 LEU HBx H 1 1.591 0.000 A 63 LEU HDx% H 1 0.849 0.000 A 63 LEU HDy% H 1 0.903 0.000 A 63 LEU HG H 1 1.564 0.000 A 63 LEU C C 13 178.973 0.000 A 63 LEU CA C 13 57.859 0.000 A 63 LEU CB C 13 41.372 0.000 A 63 LEU CDx C 13 24.053 0.000 A 63 LEU CDy C 13 25.731 0.000 A 63 LEU CG C 13 26.733 0.000 A 63 LEU N N 15 120.166 0.000 A 64 ARG H H 1 8.109 0.000 A 64 ARG HA H 1 4.024 0.000 A 64 ARG HBy H 1 1.917 0.000 A 64 ARG HBx H 1 1.842 0.000 A 64 ARG HDx H 1 3.220 0.000 A 64 ARG HDy H 1 3.220 0.000 A 64 ARG HGx H 1 1.693 0.000 A 64 ARG HGy H 1 1.778 0.000 A 64 ARG C C 13 179.040 0.000 A 64 ARG CA C 13 58.952 0.000 A 64 ARG CB C 13 29.624 0.000 A 64 ARG CD C 13 43.053 0.000 A 64 ARG CG C 13 27.378 0.000 A 64 ARG N N 15 118.557 0.000 A 65 ALA H H 1 7.677 0.000 A 65 ALA HA H 1 4.116 0.000 A 65 ALA HB% H 1 1.413 0.000 A 65 ALA C C 13 179.806 0.000 A 65 ALA CA C 13 54.559 0.000 A 65 ALA CB C 13 17.865 0.000 A 65 ALA N N 15 120.858 0.000 A 66 MET H H 1 7.484 0.000 A 66 MET HA H 1 4.100 0.000 A 66 MET HBx H 1 1.389 0.000 A 66 MET HBy H 1 1.821 0.000 A 66 MET HE% H 1 1.468 0.000 A 66 MET HGy H 1 1.459 0.000 A 66 MET HGx H 1 0.954 0.000 A 66 MET C C 13 177.740 0.000 A 66 MET CA C 13 56.234 0.000 A 66 MET CB C 13 31.594 0.000 A 66 MET CE C 13 17.219 0.000 A 66 MET CG C 13 30.048 0.000 A 66 MET N N 15 118.854 0.000 A 67 ASN H H 1 7.705 0.000 A 67 ASN HA H 1 4.357 0.000 A 67 ASN HBy H 1 3.240 0.000 A 67 ASN HBx H 1 2.717 0.000 A 67 ASN HD2y H 1 8.023 0.000 A 67 ASN HD2x H 1 6.812 0.000 A 67 ASN C C 13 177.401 0.000 A 67 ASN CA C 13 56.830 0.000 A 67 ASN CB C 13 37.506 0.000 A 67 ASN N N 15 118.716 0.000 A 67 ASN ND2 N 15 109.346 0.000 A 68 THR H H 1 7.822 0.000 A 68 THR HA H 1 3.804 0.000 A 68 THR HB H 1 4.137 0.000 A 68 THR HG2% H 1 1.196 0.000 A 68 THR C C 13 175.383 0.000 A 68 THR CA C 13 66.082 0.000 A 68 THR CB C 13 67.802 0.000 A 68 THR CG2 C 13 22.374 0.000 A 68 THR N N 15 114.098 0.000 A 69 ALA H H 1 8.216 0.000 A 69 ALA HA H 1 4.041 0.000 A 69 ALA HB% H 1 1.406 0.000 A 69 ALA C C 13 180.257 0.000 A 69 ALA CA C 13 55.240 0.000 A 69 ALA CB C 13 17.827 0.000 A 69 ALA N N 15 124.664 0.000 A 70 MET H H 1 8.136 0.000 A 70 MET HA H 1 3.918 0.000 A 70 MET HBy H 1 2.252 0.000 A 70 MET HBx H 1 2.132 0.000 A 70 MET HE% H 1 2.089 0.000 A 70 MET HGx H 1 2.445 0.000 A 70 MET HGy H 1 2.623 0.000 A 70 MET C C 13 177.609 0.000 A 70 MET CA C 13 59.333 0.000 A 70 MET CB C 13 32.014 0.000 A 70 MET CE C 13 18.779 0.000 A 70 MET CG C 13 33.225 0.000 A 70 MET N N 15 116.287 0.000 A 71 ALA H H 1 8.249 0.000 A 71 ALA HA H 1 3.755 0.000 A 71 ALA HB% H 1 1.501 0.000 A 71 ALA C C 13 178.948 0.000 A 71 ALA CA C 13 54.923 0.000 A 71 ALA CB C 13 19.789 0.000 A 71 ALA N N 15 119.650 0.000 A 72 ALA H H 1 8.686 0.000 A 72 ALA HA H 1 3.945 0.000 A 72 ALA HB% H 1 1.457 0.000 A 72 ALA C C 13 180.200 0.000 A 72 ALA CA C 13 55.205 0.000 A 72 ALA CB C 13 17.840 0.000 A 72 ALA N N 15 118.992 0.000 A 73 GLU H H 1 7.782 0.000 A 73 GLU HA H 1 4.087 0.000 A 73 GLU HBy H 1 2.108 0.000 A 73 GLU HBx H 1 2.066 0.000 A 73 GLU HGy H 1 2.435 0.000 A 73 GLU HGx H 1 2.273 0.000 A 73 GLU C C 13 179.952 0.000 A 73 GLU CA C 13 59.498 0.000 A 73 GLU CB C 13 29.468 0.000 A 73 GLU CG C 13 36.044 0.000 A 73 GLU N N 15 117.354 0.000 A 74 VAL H H 1 8.379 0.000 A 74 VAL HA H 1 3.542 0.000 A 74 VAL HB H 1 2.129 0.000 A 74 VAL HGx% H 1 1.038 0.000 A 74 VAL HGy% H 1 0.846 0.000 A 74 VAL C C 13 178.133 0.000 A 74 VAL CA C 13 66.652 0.000 A 74 VAL CB C 13 31.251 0.000 A 74 VAL CGy C 13 23.736 0.000 A 74 VAL CGx C 13 23.085 0.000 A 74 VAL N N 15 119.323 0.000 A 75 ALA H H 1 9.092 0.000 A 75 ALA HA H 1 3.860 0.000 A 75 ALA HB% H 1 1.533 0.000 A 75 ALA C C 13 178.788 0.000 A 75 ALA CA C 13 55.265 0.000 A 75 ALA CB C 13 19.780 0.000 A 75 ALA N N 15 122.115 0.000 A 76 GLU H H 1 7.555 0.000 A 76 GLU HA H 1 4.006 0.000 A 76 GLU HBx H 1 2.101 0.000 A 76 GLU HBy H 1 2.101 0.000 A 76 GLU HGx H 1 2.384 0.000 A 76 GLU HGy H 1 2.384 0.000 A 76 GLU C C 13 178.889 0.000 A 76 GLU CA C 13 58.870 0.000 A 76 GLU CB C 13 29.017 0.000 A 76 GLU CG C 13 35.514 0.000 A 76 GLU N N 15 116.179 0.000 A 77 VAL H H 1 7.283 0.000 A 77 VAL HA H 1 3.921 0.000 A 77 VAL HB H 1 2.393 0.000 A 77 VAL HGx% H 1 0.875 0.000 A 77 VAL HGy% H 1 1.048 0.000 A 77 VAL C C 13 179.428 0.000 A 77 VAL CA C 13 65.730 0.000 A 77 VAL CB C 13 31.609 0.000 A 77 VAL CGx C 13 21.150 0.000 A 77 VAL CGy C 13 21.758 0.000 A 77 VAL N N 15 118.320 0.000 A 78 VAL H H 1 8.049 0.000 A 78 VAL HA H 1 3.229 0.000 A 78 VAL HB H 1 2.099 0.000 A 78 VAL HGx% H 1 0.700 0.000 A 78 VAL HGy% H 1 0.812 0.000 A 78 VAL C C 13 178.860 0.000 A 78 VAL CA C 13 66.390 0.000 A 78 VAL CB C 13 31.274 0.000 A 78 VAL CGx C 13 22.032 0.000 A 78 VAL CGy C 13 22.413 0.000 A 78 VAL N N 15 119.155 0.000 A 79 ALA H H 1 8.815 0.000 A 79 ALA HA H 1 4.394 0.000 A 79 ALA HB% H 1 1.574 0.000 A 79 ALA C C 13 178.299 0.000 A 79 ALA CA C 13 54.580 0.000 A 79 ALA CB C 13 19.123 0.000 A 79 ALA N N 15 120.551 0.000 A 80 THR H H 1 7.396 0.000 A 80 THR HA H 1 4.465 0.000 A 80 THR HB H 1 4.569 0.000 A 80 THR HG2% H 1 1.379 0.000 A 80 THR C C 13 175.020 0.000 A 80 THR CA C 13 61.786 0.000 A 80 THR CB C 13 69.341 0.000 A 80 THR CG2 C 13 21.753 0.000 A 80 THR N N 15 106.474 0.000 A 81 SER H H 1 7.898 0.000 A 81 SER HA H 1 4.569 0.000 A 81 SER HBx H 1 3.857 0.000 A 81 SER HBy H 1 3.857 0.000 A 81 SER HG H 1 5.691 0.000 A 81 SER CA C 13 58.138 0.000 A 81 SER CB C 13 62.786 0.000 A 81 SER N N 15 119.679 0.000 A 83 PRO HA H 1 4.281 0.000 A 83 PRO HBx H 1 2.009 0.000 A 83 PRO HBy H 1 2.396 0.000 A 83 PRO HDy H 1 3.971 0.000 A 83 PRO HDx H 1 3.779 0.000 A 83 PRO HGy H 1 2.180 0.000 A 83 PRO HGx H 1 2.111 0.000 A 83 PRO CA C 13 65.528 0.000 A 83 PRO CB C 13 31.664 0.000 A 83 PRO CD C 13 50.306 0.000 A 83 PRO CG C 13 28.240 0.000 A 84 GLN H H 1 9.186 0.000 A 84 GLN HA H 1 4.329 0.000 A 84 GLN HBx H 1 2.191 0.000 A 84 GLN HBy H 1 2.191 0.000 A 84 GLN HE2x H 1 6.998 0.000 A 84 GLN HE2y H 1 7.669 0.000 A 84 GLN HGx H 1 2.497 0.000 A 84 GLN HGy H 1 2.572 0.000 A 84 GLN C C 13 177.013 0.000 A 84 GLN CA C 13 57.859 0.000 A 84 GLN CB C 13 27.319 0.000 A 84 GLN CG C 13 33.254 0.000 A 84 GLN N N 15 114.760 0.000 A 84 GLN NE2 N 15 112.164 0.000 A 85 SER H H 1 8.157 0.000 A 85 SER HA H 1 4.920 0.000 A 85 SER HBx H 1 4.135 0.000 A 85 SER HBy H 1 4.135 0.000 A 85 SER C C 13 173.128 0.000 A 85 SER CA C 13 58.455 0.000 A 85 SER CB C 13 64.508 0.000 A 85 SER N N 15 114.665 0.000 A 86 TYR H H 1 7.438 0.000 A 86 TYR HA H 1 3.850 0.000 A 86 TYR HBy H 1 3.107 0.000 A 86 TYR HBx H 1 3.023 0.000 A 86 TYR HDx H 1 7.017 0.000 A 86 TYR HDy H 1 7.017 0.000 A 86 TYR HEx H 1 6.578 0.000 A 86 TYR HEy H 1 6.578 0.000 A 86 TYR C C 13 175.776 0.000 A 86 TYR CA C 13 62.780 0.000 A 86 TYR CB C 13 38.840 0.000 A 86 TYR CDx C 13 132.400 0.000 A 86 TYR CDy C 13 132.400 0.000 A 86 TYR CEx C 13 117.343 0.000 A 86 TYR CEy C 13 117.343 0.000 A 86 TYR N N 15 122.845 0.000 A 87 SER H H 1 8.953 0.000 A 87 SER HA H 1 3.934 0.000 A 87 SER HBx H 1 3.929 0.000 A 87 SER HBy H 1 3.929 0.000 A 87 SER C C 13 176.300 0.000 A 87 SER CA C 13 62.022 0.000 A 87 SER CB C 13 62.137 0.000 A 87 SER N N 15 113.287 0.000 A 88 ALA H H 1 8.040 0.000 A 88 ALA HA H 1 4.210 0.000 A 88 ALA HB% H 1 1.502 0.000 A 88 ALA C C 13 181.290 0.000 A 88 ALA CA C 13 54.905 0.000 A 88 ALA CB C 13 17.831 0.000 A 88 ALA N N 15 125.109 0.000 A 89 VAL H H 1 8.643 0.000 A 89 VAL HA H 1 3.317 0.000 A 89 VAL HB H 1 2.127 0.000 A 89 VAL HGx% H 1 0.733 0.000 A 89 VAL HGy% H 1 1.100 0.000 A 89 VAL C C 13 177.682 0.000 A 89 VAL CA C 13 67.313 0.000 A 89 VAL CB C 13 31.297 0.000 A 89 VAL CGx C 13 22.051 0.000 A 89 VAL CGy C 13 23.416 0.000 A 89 VAL N N 15 122.313 0.000 A 90 LEU H H 1 8.366 0.000 A 90 LEU HA H 1 3.584 0.000 A 90 LEU HBx H 1 1.126 0.000 A 90 LEU HBy H 1 1.555 0.000 A 90 LEU HDx% H 1 0.667 0.000 A 90 LEU HDy% H 1 0.771 0.000 A 90 LEU HG H 1 1.331 0.000 A 90 LEU C C 13 179.340 0.000 A 90 LEU CA C 13 58.664 0.000 A 90 LEU CB C 13 41.468 0.000 A 90 LEU CDx C 13 24.550 0.000 A 90 LEU CDy C 13 25.345 0.000 A 90 LEU CG C 13 26.659 0.000 A 90 LEU N N 15 120.674 0.000 A 91 ASN H H 1 8.370 0.000 A 91 ASN HA H 1 4.388 0.000 A 91 ASN HBy H 1 2.897 0.000 A 91 ASN HBx H 1 2.799 0.000 A 91 ASN HD2y H 1 7.591 0.000 A 91 ASN HD2x H 1 6.909 0.000 A 91 ASN C C 13 178.482 0.000 A 91 ASN CA C 13 56.156 0.000 A 91 ASN CB C 13 38.186 0.000 A 91 ASN N N 15 116.427 0.000 A 91 ASN ND2 N 15 112.641 0.000 A 92 THR H H 1 8.300 0.000 A 92 THR HA H 1 3.970 0.000 A 92 THR HB H 1 4.276 0.000 A 92 THR HG1 H 1 5.193 0.000 A 92 THR HG2% H 1 1.247 0.000 A 92 THR C C 13 174.910 0.000 A 92 THR CA C 13 67.417 0.000 A 92 THR CB C 13 68.325 0.000 A 92 THR CG2 C 13 20.121 0.000 A 92 THR N N 15 119.681 0.000 A 93 ILE H H 1 8.657 0.000 A 93 ILE HA H 1 3.441 0.000 A 93 ILE HB H 1 2.055 0.000 A 93 ILE HD1% H 1 0.609 0.000 A 93 ILE HG1x H 1 1.267 0.000 A 93 ILE HG1y H 1 1.484 0.000 A 93 ILE HG2% H 1 0.778 0.000 A 93 ILE C C 13 177.618 0.000 A 93 ILE CA C 13 63.777 0.000 A 93 ILE CB C 13 35.180 0.000 A 93 ILE CD1 C 13 9.958 0.000 A 93 ILE CG1 C 13 28.299 0.000 A 93 ILE CG2 C 13 16.829 0.000 A 93 ILE N N 15 122.233 0.000 A 94 GLY H H 1 8.350 0.000 A 94 GLY HAx H 1 3.956 0.000 A 94 GLY HAy H 1 4.036 0.000 A 94 GLY C C 13 176.183 0.000 A 94 GLY CA C 13 47.404 0.000 A 94 GLY N N 15 106.976 0.000 A 95 ALA H H 1 8.139 0.000 A 95 ALA HA H 1 4.181 0.000 A 95 ALA HB% H 1 1.528 0.000 A 95 ALA C C 13 181.495 0.000 A 95 ALA CA C 13 55.227 0.000 A 95 ALA CB C 13 17.828 0.000 A 95 ALA N N 15 124.719 0.000 A 96 CYS H H 1 8.918 0.000 A 96 CYS HA H 1 4.686 0.000 A 96 CYS HBy H 1 3.089 0.000 A 96 CYS HBx H 1 2.886 0.000 A 96 CYS C C 13 178.337 0.000 A 96 CYS CA C 13 56.134 0.000 A 96 CYS CB C 13 37.206 0.000 A 96 CYS N N 15 116.226 0.000 A 97 LEU H H 1 9.326 0.000 A 97 LEU HA H 1 4.076 0.000 A 97 LEU HBx H 1 1.697 0.000 A 97 LEU HBy H 1 2.003 0.000 A 97 LEU HDx% H 1 0.997 0.000 A 97 LEU HDy% H 1 0.846 0.000 A 97 LEU HG H 1 1.708 0.000 A 97 LEU C C 13 177.682 0.000 A 97 LEU CA C 13 58.852 0.000 A 97 LEU CB C 13 41.420 0.000 A 97 LEU CDx C 13 24.359 0.000 A 97 LEU CDy C 13 26.044 0.000 A 97 LEU CG C 13 26.941 0.000 A 97 LEU N N 15 127.985 0.000 A 98 ARG H H 1 7.570 0.000 A 98 ARG HA H 1 3.950 0.000 A 98 ARG HBx H 1 1.981 0.000 A 98 ARG HBy H 1 1.981 0.000 A 98 ARG HDx H 1 3.266 0.000 A 98 ARG HDy H 1 3.266 0.000 A 98 ARG HGx H 1 1.529 0.000 A 98 ARG HGy H 1 1.933 0.000 A 98 ARG C C 13 178.351 0.000 A 98 ARG CA C 13 60.487 0.000 A 98 ARG CB C 13 29.965 0.000 A 98 ARG CD C 13 43.088 0.000 A 98 ARG CG C 13 28.268 0.000 A 98 ARG N N 15 118.461 0.000 A 99 GLU H H 1 8.158 0.000 A 99 GLU HA H 1 3.996 0.000 A 99 GLU HBy H 1 2.157 0.000 A 99 GLU HBx H 1 2.079 0.000 A 99 GLU HGy H 1 2.320 0.000 A 99 GLU HGx H 1 2.159 0.000 A 99 GLU C C 13 179.014 0.000 A 99 GLU CA C 13 59.495 0.000 A 99 GLU CB C 13 30.223 0.000 A 99 GLU CG C 13 36.228 0.000 A 99 GLU N N 15 118.098 0.000 A 100 SER H H 1 8.487 0.000 A 100 SER HA H 1 4.238 0.000 A 100 SER HG H 1 4.714 0.000 A 100 SER C C 13 176.498 0.000 A 100 SER CA C 13 62.394 0.000 A 100 SER N N 15 115.378 0.000 A 101 MET H H 1 8.269 0.000 A 101 MET HA H 1 4.083 0.000 A 101 MET HBx H 1 2.290 0.000 A 101 MET HBy H 1 2.290 0.000 A 101 MET HE% H 1 1.886 0.000 A 101 MET HGx H 1 2.584 0.000 A 101 MET HGy H 1 2.779 0.000 A 101 MET C C 13 178.898 0.000 A 101 MET CA C 13 59.197 0.000 A 101 MET CB C 13 32.207 0.000 A 101 MET CE C 13 18.485 0.000 A 101 MET CG C 13 33.584 0.000 A 101 MET N N 15 122.252 0.000 A 102 MET H H 1 8.031 0.000 A 102 MET HA H 1 4.094 0.000 A 102 MET HBx H 1 2.020 0.000 A 102 MET HBy H 1 2.201 0.000 A 102 MET HE% H 1 1.999 0.000 A 102 MET HGy H 1 2.474 0.000 A 102 MET HGx H 1 2.388 0.000 A 102 MET C C 13 179.821 0.000 A 102 MET CA C 13 58.158 0.000 A 102 MET CB C 13 31.331 0.000 A 102 MET CE C 13 16.847 0.000 A 102 MET CG C 13 31.610 0.000 A 102 MET N N 15 122.149 0.000 A 103 GLN H H 1 8.361 0.000 A 103 GLN HA H 1 3.963 0.000 A 103 GLN HBx H 1 1.958 0.000 A 103 GLN HBy H 1 2.090 0.000 A 103 GLN HE2y H 1 7.364 0.000 A 103 GLN HE2x H 1 6.859 0.000 A 103 GLN HGy H 1 2.448 0.000 A 103 GLN HGx H 1 2.406 0.000 A 103 GLN C C 13 177.609 0.000 A 103 GLN CA C 13 58.193 0.000 A 103 GLN CB C 13 28.373 0.000 A 103 GLN CG C 13 33.579 0.000 A 103 GLN N N 15 119.006 0.000 A 103 GLN NE2 N 15 111.194 0.000 A 104 ALA H H 1 7.903 0.000 A 104 ALA HA H 1 4.207 0.000 A 104 ALA HB% H 1 1.496 0.000 A 104 ALA C C 13 178.715 0.000 A 104 ALA CA C 13 54.264 0.000 A 104 ALA CB C 13 20.772 0.000 A 104 ALA N N 15 117.647 0.000 A 105 THR H H 1 8.188 0.000 A 105 THR HA H 1 4.686 0.000 A 105 THR HB H 1 4.666 0.000 A 105 THR HG2% H 1 1.093 0.000 A 105 THR C C 13 175.805 0.000 A 105 THR CA C 13 61.963 0.000 A 105 THR CB C 13 72.610 0.000 A 105 THR CG2 C 13 21.431 0.000 A 105 THR N N 15 103.227 0.000 A 106 GLY H H 1 8.361 0.000 A 106 GLY HAy H 1 4.334 0.000 A 106 GLY HAx H 1 3.845 0.000 A 106 GLY C C 13 173.230 0.000 A 106 GLY CA C 13 45.684 0.000 A 106 GLY N N 15 112.695 0.000 A 107 SER H H 1 8.026 0.000 A 107 SER HA H 1 4.606 0.000 A 107 SER HBx H 1 3.690 0.000 A 107 SER HBy H 1 3.690 0.000 A 107 SER C C 13 171.751 0.000 A 107 SER CA C 13 57.159 0.000 A 107 SER CB C 13 65.115 0.000 A 107 SER N N 15 114.659 0.000 A 108 VAL H H 1 8.148 0.000 A 108 VAL HA H 1 3.988 0.000 A 108 VAL HB H 1 1.991 0.000 A 108 VAL HGx% H 1 0.947 0.000 A 108 VAL HGy% H 1 0.877 0.000 A 108 VAL C C 13 175.136 0.000 A 108 VAL CA C 13 62.038 0.000 A 108 VAL CB C 13 33.351 0.000 A 108 VAL CGx C 13 21.457 0.000 A 108 VAL CGy C 13 21.747 0.000 A 108 VAL N N 15 117.443 0.000 A 109 ASP H H 1 7.712 0.000 A 109 ASP HA H 1 4.723 0.000 A 109 ASP HBx H 1 2.505 0.000 A 109 ASP HBy H 1 2.888 0.000 A 109 ASP C C 13 175.994 0.000 A 109 ASP CA C 13 52.813 0.000 A 109 ASP CB C 13 41.005 0.000 A 109 ASP N N 15 125.236 0.000 A 110 ASN HA H 1 4.621 0.000 A 110 ASN HBx H 1 2.721 0.000 A 110 ASN HBy H 1 2.721 0.000 A 110 ASN HD2x H 1 6.961 0.000 A 110 ASN HD2y H 1 7.665 0.000 A 110 ASN CA C 13 55.470 0.000 A 110 ASN CB C 13 38.840 0.000 A 110 ASN N N 15 113.565 0.000 A 110 ASN ND2 N 15 113.518 0.000 A 111 ALA H H 1 8.320 0.000 A 111 ALA HA H 1 4.199 0.000 A 111 ALA HB% H 1 1.539 0.000 A 111 ALA C C 13 180.403 0.000 A 111 ALA CA C 13 55.198 0.000 A 111 ALA CB C 13 17.848 0.000 A 111 ALA N N 15 122.758 0.000 A 112 PHE H H 1 7.883 0.000 A 112 PHE HA H 1 4.412 0.000 A 112 PHE HBx H 1 2.920 0.000 A 112 PHE HBy H 1 3.268 0.000 A 112 PHE HDx H 1 7.251 0.000 A 112 PHE HDy H 1 7.251 0.000 A 112 PHE HEx H 1 7.288 0.000 A 112 PHE HEy H 1 7.288 0.000 A 112 PHE HZ H 1 7.053 0.000 A 112 PHE C C 13 176.609 0.000 A 112 PHE CA C 13 60.495 0.000 A 112 PHE CB C 13 39.393 0.000 A 112 PHE CDx C 13 131.478 0.000 A 112 PHE CDy C 13 131.478 0.000 A 112 PHE CEx C 13 130.572 0.000 A 112 PHE CEy C 13 130.572 0.000 A 112 PHE CZ C 13 128.650 0.000 A 112 PHE N N 15 120.062 0.000 A 113 THR H H 1 8.238 0.000 A 113 THR HA H 1 3.451 0.000 A 113 THR HB H 1 4.130 0.000 A 113 THR HG2% H 1 1.232 0.000 A 113 THR C C 13 176.736 0.000 A 113 THR CA C 13 66.387 0.000 A 113 THR CB C 13 67.442 0.000 A 113 THR CG2 C 13 23.024 0.000 A 113 THR N N 15 111.774 0.000 A 114 ASN H H 1 8.312 0.000 A 114 ASN HA H 1 4.385 0.000 A 114 ASN HBy H 1 2.936 0.000 A 114 ASN HBx H 1 2.752 0.000 A 114 ASN HD2x H 1 6.933 0.000 A 114 ASN HD2y H 1 7.658 0.000 A 114 ASN C C 13 177.557 0.000 A 114 ASN CA C 13 55.891 0.000 A 114 ASN CB C 13 37.829 0.000 A 114 ASN N N 15 118.959 0.000 A 114 ASN ND2 N 15 112.614 0.000 A 115 GLU H H 1 7.838 0.000 A 115 GLU HA H 1 4.001 0.000 A 115 GLU HBx H 1 2.075 0.000 A 115 GLU HBy H 1 2.192 0.000 A 115 GLU HGx H 1 2.066 0.000 A 115 GLU HGy H 1 2.317 0.000 A 115 GLU C C 13 178.919 0.000 A 115 GLU CA C 13 59.762 0.000 A 115 GLU CB C 13 29.294 0.000 A 115 GLU CG C 13 36.178 0.000 A 115 GLU N N 15 121.592 0.000 A 116 VAL H H 1 8.077 0.000 A 116 VAL HA H 1 3.375 0.000 A 116 VAL HB H 1 1.664 0.000 A 116 VAL HGx% H 1 0.473 0.000 A 116 VAL HGy% H 1 0.654 0.000 A 116 VAL C C 13 178.031 0.000 A 116 VAL CA C 13 67.015 0.000 A 116 VAL CB C 13 31.622 0.000 A 116 VAL CGy C 13 22.621 0.000 A 116 VAL CGx C 13 20.439 0.000 A 116 VAL N N 15 117.799 0.000 A 117 MET H H 1 8.220 0.000 A 117 MET HA H 1 4.473 0.000 A 117 MET HBx H 1 1.962 0.000 A 117 MET HBy H 1 2.202 0.000 A 117 MET HE% H 1 1.860 0.000 A 117 MET HGx H 1 2.633 0.000 A 117 MET HGy H 1 2.807 0.000 A 117 MET C C 13 179.922 0.000 A 117 MET CA C 13 55.878 0.000 A 117 MET CB C 13 28.429 0.000 A 117 MET CE C 13 14.824 0.000 A 117 MET CG C 13 31.584 0.000 A 117 MET N N 15 114.677 0.000 A 118 GLN H H 1 8.395 0.000 A 118 GLN HA H 1 4.094 0.000 A 118 GLN HBy H 1 2.216 0.000 A 118 GLN HBx H 1 2.128 0.000 A 118 GLN HE2y H 1 7.475 0.000 A 118 GLN HE2x H 1 6.876 0.000 A 118 GLN HGx H 1 2.449 0.000 A 118 GLN HGy H 1 2.449 0.000 A 118 GLN C C 13 178.948 0.000 A 118 GLN CA C 13 58.982 0.000 A 118 GLN CB C 13 27.945 0.000 A 118 GLN CG C 13 33.623 0.000 A 118 GLN N N 15 121.248 0.000 A 118 GLN NE2 N 15 112.125 0.000 A 119 LEU H H 1 7.701 0.000 A 119 LEU HA H 1 4.124 0.000 A 119 LEU HBy H 1 2.017 0.000 A 119 LEU HBx H 1 1.280 0.000 A 119 LEU HDx% H 1 0.857 0.000 A 119 LEU HDy% H 1 0.873 0.000 A 119 LEU HG H 1 1.809 0.000 A 119 LEU C C 13 178.773 0.000 A 119 LEU CA C 13 57.841 0.000 A 119 LEU CB C 13 42.275 0.000 A 119 LEU CDy C 13 25.658 0.000 A 119 LEU CDx C 13 23.420 0.000 A 119 LEU CG C 13 27.004 0.000 A 119 LEU N N 15 120.802 0.000 A 120 VAL H H 1 8.846 0.000 A 120 VAL HA H 1 4.482 0.000 A 120 VAL HB H 1 2.252 0.000 A 120 VAL HGx% H 1 0.739 0.000 A 120 VAL HGy% H 1 1.158 0.000 A 120 VAL C C 13 179.257 0.000 A 120 VAL CA C 13 66.716 0.000 A 120 VAL CB C 13 31.492 0.000 A 120 VAL CGx C 13 22.109 0.000 A 120 VAL CGy C 13 23.410 0.000 A 120 VAL N N 15 119.468 0.000 A 121 LYS H H 1 8.148 0.000 A 121 LYS HA H 1 3.813 0.000 A 121 LYS HBx H 1 1.912 0.000 A 121 LYS HBy H 1 1.993 0.000 A 121 LYS HDx H 1 1.689 0.000 A 121 LYS HDy H 1 1.689 0.000 A 121 LYS HEx H 1 2.926 0.000 A 121 LYS HEy H 1 2.926 0.000 A 121 LYS HGx H 1 1.419 0.000 A 121 LYS HGy H 1 1.571 0.000 A 121 LYS C C 13 177.867 0.000 A 121 LYS CA C 13 60.135 0.000 A 121 LYS CB C 13 32.303 0.000 A 121 LYS CD C 13 29.331 0.000 A 121 LYS CE C 13 41.919 0.000 A 121 LYS CG C 13 25.347 0.000 A 121 LYS N N 15 120.874 0.000 A 122 MET H H 1 7.940 0.000 A 122 MET HA H 1 4.133 0.000 A 122 MET HBx H 1 2.179 0.000 A 122 MET HBy H 1 2.214 0.000 A 122 MET HE% H 1 2.056 0.000 A 122 MET HGx H 1 2.545 0.000 A 122 MET HGy H 1 2.729 0.000 A 122 MET C C 13 178.860 0.000 A 122 MET CA C 13 58.824 0.000 A 122 MET CB C 13 33.272 0.000 A 122 MET CE C 13 17.103 0.000 A 122 MET CG C 13 31.673 0.000 A 122 MET N N 15 117.604 0.000 A 123 LEU H H 1 8.551 0.000 A 123 LEU HA H 1 4.226 0.000 A 123 LEU HBy H 1 1.712 0.000 A 123 LEU HBx H 1 1.484 0.000 A 123 LEU HDx% H 1 0.753 0.000 A 123 LEU HDy% H 1 0.860 0.000 A 123 LEU HG H 1 1.874 0.000 A 123 LEU C C 13 177.958 0.000 A 123 LEU CA C 13 56.215 0.000 A 123 LEU CB C 13 42.084 0.000 A 123 LEU CDy C 13 25.096 0.000 A 123 LEU CDx C 13 22.090 0.000 A 123 LEU CG C 13 26.987 0.000 A 123 LEU N N 15 116.677 0.000 A 124 SER H H 1 7.790 0.000 A 124 SER HA H 1 4.578 0.000 A 124 SER HBx H 1 3.985 0.000 A 124 SER HBy H 1 4.118 0.000 A 124 SER HG H 1 5.705 0.000 A 124 SER C C 13 173.870 0.000 A 124 SER CA C 13 58.498 0.000 A 124 SER CB C 13 64.753 0.000 A 124 SER N N 15 111.671 0.000 A 125 ALA H H 1 7.458 0.000 A 125 ALA HA H 1 4.177 0.000 A 125 ALA HB% H 1 1.439 0.000 A 125 ALA C C 13 177.842 0.000 A 125 ALA CA C 13 53.338 0.000 A 125 ALA CB C 13 19.216 0.000 A 125 ALA N N 15 125.152 0.000 A 126 ASP H H 1 8.314 0.000 A 126 ASP HA H 1 4.537 0.000 A 126 ASP HBy H 1 2.689 0.000 A 126 ASP HBx H 1 2.615 0.000 A 126 ASP C C 13 177.042 0.000 A 126 ASP CA C 13 54.785 0.000 A 126 ASP CB C 13 40.851 0.000 A 126 ASP N N 15 119.203 0.000 A 127 SER H H 1 8.191 0.000 A 127 SER HA H 1 4.353 0.000 A 127 SER HBx H 1 3.892 0.000 A 127 SER HBy H 1 3.892 0.000 A 127 SER C C 13 174.525 0.000 A 127 SER CA C 13 58.981 0.000 A 127 SER CB C 13 63.460 0.000 A 127 SER N N 15 116.513 0.000 A 128 ALA H H 1 8.079 0.000 A 128 ALA HA H 1 4.183 0.000 A 128 ALA HB% H 1 1.299 0.000 A 128 ALA C C 13 177.522 0.000 A 128 ALA CA C 13 52.610 0.000 A 128 ALA CB C 13 18.807 0.000 A 128 ALA N N 15 124.465 0.000 A 129 ASN H H 1 8.058 0.000 A 129 ASN HA H 1 4.652 0.000 A 129 ASN HBy H 1 2.777 0.000 A 129 ASN HBx H 1 2.692 0.000 A 129 ASN HD2y H 1 7.613 0.000 A 129 ASN HD2x H 1 6.887 0.000 A 129 ASN C C 13 175.005 0.000 A 129 ASN CA C 13 53.179 0.000 A 129 ASN CB C 13 39.141 0.000 A 129 ASN N N 15 116.793 0.000 A 129 ASN ND2 N 15 113.132 0.000 A 130 GLU H H 1 8.232 0.000 A 130 GLU HA H 1 4.296 0.000 A 130 GLU HBx H 1 1.928 0.000 A 130 GLU HBy H 1 2.034 0.000 A 130 GLU HGx H 1 2.206 0.000 A 130 GLU HGy H 1 2.260 0.000 A 130 GLU C C 13 176.285 0.000 A 130 GLU CA C 13 56.427 0.000 A 130 GLU CB C 13 30.288 0.000 A 130 GLU CG C 13 36.201 0.000 A 130 GLU N N 15 121.148 0.000 A 131 VAL H H 1 8.207 0.000 A 131 VAL HA H 1 4.171 0.000 A 131 VAL HB H 1 2.085 0.000 A 131 VAL HGx% H 1 0.934 0.000 A 131 VAL HGy% H 1 0.934 0.000 A 131 VAL C C 13 176.083 0.000 A 131 VAL CA C 13 62.104 0.000 A 131 VAL CB C 13 32.642 0.000 A 131 VAL CGy C 13 21.106 0.000 A 131 VAL CGx C 13 20.445 0.000 A 131 VAL N N 15 121.293 0.000 A 132 SER H H 1 8.455 0.000 A 132 SER HA H 1 4.562 0.000 A 132 SER HBx H 1 3.891 0.000 A 132 SER HBy H 1 3.891 0.000 A 132 SER C C 13 173.928 0.000 A 132 SER CA C 13 58.219 0.000 A 132 SER CB C 13 63.122 0.000 A 132 SER N N 15 120.475 0.000 A 133 THR H H 1 7.874 0.000 A 133 THR HA H 1 4.159 0.000 A 133 THR HB H 1 4.246 0.000 A 133 THR HG2% H 1 1.162 0.000 A 133 THR C C 13 179.253 0.000 A 133 THR CA C 13 63.068 0.000 A 133 THR CB C 13 70.533 0.000 A 133 THR CG2 C 13 21.816 0.000 A 133 THR N N 15 121.180 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 7 PRO HDy A 63 LEU HDx% 1.0 . 5.22 2 2 A 11 ASN HA A 12 PRO HDy 1.0 . 3.54 3 3 A 7 PRO HDy A 6 GLN HA 1.0 . 3.24 4 4 A 12 PRO HDx A 13 ASN H 1.0 . 4.70 5 5 A 7 PRO HDx A 10 THR HG2% 1.0 . 5.04 6 6 A 7 PRO HDx A 63 LEU HDy% 1.0 . 4.77 7 7 A 59 PRO HDx A 62 ARG HGy 1.0 . 4.70 8 8 A 11 ASN HA A 12 PRO HDx 1.0 . 3.41 9 9 A 63 LEU HDy% A 58 PRO HDy 1.0 . 5.26 10 10 A 10 THR HG2% A 58 PRO HDy 1.0 . 4.95 11 11 A 57 ASN HA A 58 PRO HDx 1.0 . 3.80 12 12 A 10 THR HG2% A 58 PRO HDx 1.0 . 5.16 13 13 A 11 ASN HA A 12 PRO HGx 1.0 . 4.33 14 13 A 11 ASN HA A 12 PRO HGy 1.0 . 4.33 15 14 A 11 ASN HA A 12 PRO HA 1.0 . 4.41 16 15 A 55 GLY H A 56 PRO HDx 1.0 . 4.61 17 16 A 41 GLY HAx A 43 MET H 1.0 . 4.02 18 17 A 23 VAL HGx% A 41 GLY HAy 1.0 . 4.93 19 18 A 41 GLY HAy A 44 ALA HB% 1.0 . 5.02 20 19 A 41 GLY HAx A 23 VAL HGx% 1.0 . 4.62 21 20 A 41 GLY HAx A 23 VAL HGy% 1.0 . 4.64 22 21 A 105 THR H A 106 GLY HAx 1.0 . 4.09 23 22 A 55 GLY HAy A 56 PRO HDy 1.0 . 3.87 24 23 A 56 PRO HDx A 55 GLY HAx 1.0 . 3.84 25 24 A 56 PRO HDy A 55 GLY HAx 1.0 . 3.72 26 25 A 28 ARG HA A 28 ARG HDy 1.0 . 4.21 27 26 A 28 ARG HA A 28 ARG HDx 1.0 . 4.11 28 27 A 28 ARG HDx A 28 ARG HBx 1.0 . 3.46 29 27 A 28 ARG HDx A 28 ARG HBy 1.0 . 3.46 30 28 A 98 ARG H A 98 ARG HDx 1.0 . 4.11 31 28 A 98 ARG H A 98 ARG HDy 1.0 . 4.11 32 29 A 113 THR HG2% A 98 ARG HDx 1.0 . 4.99 33 29 A 98 ARG HDy A 113 THR HG2% 1.0 . 4.99 34 30 A 108 VAL HGx% A 98 ARG HDx 1.0 . 4.52 35 30 A 98 ARG HDy A 108 VAL HGx% 1.0 . 4.52 36 31 A 99 GLU H A 98 ARG HDx 1.0 . 4.32 37 31 A 98 ARG HDy A 99 GLU H 1.0 . 4.32 38 32 A 98 ARG HA A 98 ARG HDx 1.0 . 4.50 39 32 A 98 ARG HDy A 98 ARG HA 1.0 . 4.50 40 33 A 108 VAL HGy% A 98 ARG HDx 1.0 . 4.15 41 33 A 98 ARG HDy A 108 VAL HGy% 1.0 . 4.15 42 34 A 64 ARG HA A 64 ARG HDx 1.0 . 3.91 43 34 A 64 ARG HA A 64 ARG HDy 1.0 . 3.91 44 35 A 65 ALA H A 64 ARG HDx 1.0 . 5.50 45 35 A 64 ARG HDy A 65 ALA H 1.0 . 5.50 46 36 A 62 ARG HA A 62 ARG HDy 1.0 . 3.98 47 37 A 62 ARG HDy A 59 PRO HDy 1.0 . 4.99 48 38 A 62 ARG HA A 62 ARG HDx 1.0 . 3.95 49 39 A 71 ALA HB% A 119 LEU HBy 1.0 . 4.14 50 40 A 119 LEU HBy A 116 VAL HA 1.0 . 4.68 51 41 A 119 LEU HBy A 123 LEU HG 1.0 . 4.50 52 42 A 119 LEU HBy A 123 LEU HDx% 1.0 . 4.92 53 43 A 119 LEU HBx A 120 VAL HGy% 1.0 . 4.61 54 44 A 123 LEU HDx% A 119 LEU HBx 1.0 . 4.88 55 45 A 90 LEU HDy% A 121 LYS HEx 1.0 . 4.22 56 45 A 90 LEU HDy% A 121 LYS HEy 1.0 . 4.22 57 46 A 90 LEU HDx% A 121 LYS HEx 1.0 . 4.45 58 46 A 121 LYS HEy A 90 LEU HDx% 1.0 . 4.45 59 47 A 121 LYS HDx A 121 LYS HEx 1.0 . 2.88 60 47 A 121 LYS HDy A 121 LYS HEx 1.0 . 2.88 61 47 A 121 LYS HEy A 121 LYS HDx 1.0 . 2.88 62 47 A 121 LYS HEy A 121 LYS HDy 1.0 . 2.88 63 48 A 53 LYS HDx A 53 LYS HEx 1.0 . 2.90 64 48 A 53 LYS HDy A 53 LYS HEx 1.0 . 2.90 65 48 A 53 LYS HEy A 53 LYS HDx 1.0 . 2.90 66 48 A 53 LYS HDy A 53 LYS HEy 1.0 . 2.90 67 49 A 121 LYS HGx A 121 LYS HEx 1.0 . 3.21 68 49 A 121 LYS HEy A 121 LYS HGx 1.0 . 3.21 69 50 A 53 LYS H A 53 LYS HEx 1.0 . 4.53 70 50 A 53 LYS HEy A 53 LYS H 1.0 . 4.53 71 51 A 53 LYS HBy A 53 LYS HEx 1.0 . 5.07 72 51 A 53 LYS HEy A 53 LYS HBy 1.0 . 5.07 73 52 A 119 LEU HBy A 120 VAL HGy% 1.0 . 4.40 74 53 A 119 LEU HBx A 119 LEU HDy% 1.0 . 3.83 75 54 A 22 LEU HBy A 23 VAL H 1.0 . 4.54 76 55 A 22 LEU HBy A 22 LEU HDx% 1.0 . 4.14 77 55 A 22 LEU HBy A 22 LEU HDy% 1.0 . 4.14 78 56 A 97 LEU HBy A 97 LEU HDy% 1.0 . 3.80 79 57 A 98 ARG H A 97 LEU HBy 1.0 . 4.35 80 58 A 97 LEU HBy A 94 GLY HAy 1.0 . 4.20 81 59 A 97 LEU HDy% A 97 LEU HBx 1.0 . 3.74 82 60 A 22 LEU HBx A 97 LEU HA 1.0 . 4.61 83 61 A 22 LEU HBx A 19 THR HA 1.0 . 4.28 84 62 A 22 LEU HBx A 22 LEU HDx% 1.0 . 3.52 85 62 A 22 LEU HDy% A 22 LEU HBx 1.0 . 3.52 86 63 A 23 VAL H A 22 LEU HBx 1.0 . 4.36 87 64 A 90 LEU HDy% A 90 LEU HBy 1.0 . 3.74 88 65 A 90 LEU HBy A 90 LEU H 1.0 . 3.25 89 66 A 90 LEU HDx% A 90 LEU HBy 1.0 . 3.97 90 67 A 87 SER HA A 90 LEU HBx 1.0 . 4.46 91 68 A 90 LEU HBx A 91 ASN H 1.0 . 3.32 92 69 A 46 SER HA A 45 ASP HBx 1.0 . 4.31 93 69 A 45 ASP HBy A 46 SER HA 1.0 . 4.31 94 70 A 101 MET HE% A 109 ASP HBx 1.0 . 5.04 95 71 A 63 LEU HBy A 64 ARG H 1.0 . 4.57 96 72 A 98 ARG HA A 97 LEU HBx 1.0 . 5.50 97 73 A 42 MET HBx A 45 ASP HBx 1.0 . 4.70 98 73 A 45 ASP HBy A 42 MET HBx 1.0 . 4.70 99 74 A 44 ALA HB% A 45 ASP HBx 1.0 . 5.05 100 74 A 44 ALA HB% A 45 ASP HBy 1.0 . 5.05 101 75 A 126 ASP HBx A 127 SER H 1.0 . 4.46 102 76 A 39 ASP HBy A 40 MET H 1.0 . 4.58 103 77 A 39 ASP HBy A 77 VAL HGy% 1.0 . 4.49 104 78 A 77 VAL HGy% A 39 ASP HBx 1.0 . 4.49 105 79 A 35 ASP HBx A 36 GLN H 1.0 . 4.68 106 80 A 35 ASP H A 35 ASP HBy 1.0 . 3.65 107 81 A 86 TYR HBy A 87 SER H 1.0 . 4.62 108 82 A 128 ALA HB% A 129 ASN HBx 1.0 . 5.08 109 83 A 86 TYR HBy A 83 PRO HA 1.0 . 4.57 110 84 A 48 ASN HBy A 49 SER H 1.0 . 4.23 111 85 A 20 ASN HBy A 21 ASN H 1.0 . 4.10 112 86 A 13 ASN H A 13 ASN HBy 1.0 . 3.23 113 87 A 14 ALA H A 13 ASN HBy 1.0 . 3.68 114 88 A 13 ASN H A 13 ASN HBx 1.0 . 2.96 115 89 A 88 ALA HA A 91 ASN HBx 1.0 . 4.37 116 90 A 16 MET HE% A 48 ASN HBx 1.0 . 4.49 117 91 A 20 ASN HBx A 20 ASN HD2x 1.0 . 3.45 118 92 A 20 ASN HBx A 20 ASN H 1.0 . 3.53 119 93 A 114 ASN HBx A 115 GLU HA 1.0 . 4.60 120 94 A 111 ALA HA A 114 ASN HBy 1.0 . 4.05 121 95 A 49 SER H A 48 ASN HBx 1.0 . 3.90 122 96 A 114 ASN HBx A 115 GLU HBx 1.0 . 4.52 123 97 A 21 ASN HBy A 100 SER HA 1.0 . 3.87 124 98 A 100 SER HA A 21 ASN HBx 1.0 . 3.74 125 99 A 21 ASN HBx A 22 LEU HA 1.0 . 4.67 126 100 A 67 ASN H A 67 ASN HBx 1.0 . 3.61 127 101 A 106 GLY HAx A 8 ILE HB 1.0 . 3.74 128 102 A 96 CYS HA A 99 GLU HGy 1.0 . 4.71 129 103 A 115 GLU HA A 115 GLU HGy 1.0 . 3.31 130 104 A 119 LEU HDy% A 115 GLU HGy 1.0 . 4.41 131 105 A 99 GLU H A 99 GLU HGy 1.0 . 3.84 132 106 A 73 GLU HA A 73 GLU HGx 1.0 . 4.11 133 107 A 130 GLU HBy A 130 GLU HGy 1.0 . 2.47 134 108 A 130 GLU HBy A 130 GLU HGx 1.0 . 2.40 135 109 A 99 GLU HGx A 100 SER H 1.0 . 4.21 136 110 A 96 CYS HA A 99 GLU HGx 1.0 . 4.76 137 111 A 99 GLU HGx A 99 GLU HA 1.0 . 3.70 138 112 A 115 GLU HA A 115 GLU HGx 1.0 . 4.06 139 113 A 119 LEU HDy% A 115 GLU HGx 1.0 . 4.61 140 114 A 115 GLU HGx A 116 VAL H 1.0 . 4.79 141 115 A 115 GLU HGx A 115 GLU H 1.0 . 4.19 142 116 A 115 GLU HGx A 115 GLU HBy 1.0 . 2.80 143 117 A 73 GLU HGx A 69 ALA HB% 1.0 . 4.82 144 118 A 22 LEU HA A 25 CYS HBy 1.0 . 4.47 145 119 A 25 CYS H A 25 CYS HBx 1.0 . 3.88 146 120 A 25 CYS HBx A 26 ALA H 1.0 . 4.68 147 121 A 36 GLN HGy A 77 VAL HGx% 1.0 . 5.31 148 122 A 76 GLU HA A 76 GLU HGx 1.0 . 3.85 149 122 A 76 GLU HA A 76 GLU HGy 1.0 . 3.85 150 123 A 49 SER HBy A 50 GLN HGx 1.0 . 4.67 151 124 A 50 GLN HGx A 50 GLN H 1.0 . 3.83 152 125 A 50 GLN HGx A 50 GLN HE2x 1.0 . 4.01 153 125 A 50 GLN HGx A 50 GLN HE2y 1.0 . 4.01 154 126 A 32 LEU HDy% A 40 MET HGy 1.0 . 4.70 155 127 A 77 VAL HGy% A 40 MET HGy 1.0 . 4.76 156 128 A 52 GLN HA A 52 GLN HGy 1.0 . 3.91 157 129 A 40 MET H A 40 MET HGx 1.0 . 4.39 158 130 A 32 LEU HDy% A 40 MET HGx 1.0 . 4.45 159 131 A 52 GLN H A 52 GLN HGx 1.0 . 3.79 160 132 A 51 MET HA A 54 MET HBx 1.0 . 4.47 161 133 A 84 GLN HGx A 84 GLN HBx 1.0 . 2.56 162 133 A 84 GLN HBy A 84 GLN HGx 1.0 . 2.56 163 134 A 84 GLN HGx A 84 GLN HA 1.0 . 4.02 164 135 A 77 VAL HGx% A 40 MET HGx 1.0 . 3.99 165 136 A 17 THR HG2% A 103 GLN HGy 1.0 . 5.29 166 137 A 21 ASN HA A 24 GLN HGy 1.0 . 4.46 167 138 A 118 GLN HA A 118 GLN HGx 1.0 . 3.10 168 138 A 118 GLN HA A 118 GLN HGy 1.0 . 3.10 169 139 A 118 GLN HBy A 118 GLN HGx 1.0 . 2.46 170 139 A 118 GLN HGy A 118 GLN HBy 1.0 . 2.46 171 140 A 118 GLN HBx A 118 GLN HGx 1.0 . 2.47 172 140 A 118 GLN HGy A 118 GLN HBx 1.0 . 2.47 173 141 A 25 CYS H A 24 GLN HGx 1.0 . 4.64 174 142 A 21 ASN HA A 24 GLN HGx 1.0 . 4.27 175 143 A 24 GLN HGx A 24 GLN H 1.0 . 3.53 176 144 A 22 LEU HA A 24 GLN HGx 1.0 . 4.84 177 145 A 6 GLN HBy A 6 GLN HGx 1.0 . 2.67 178 145 A 6 GLN HBy A 6 GLN HGy 1.0 . 2.67 179 146 A 70 MET HGy A 47 VAL HGy% 1.0 . 4.30 180 147 A 70 MET HGy A 70 MET HA 1.0 . 4.21 181 148 A 101 MET H A 101 MET HGx 1.0 . 4.38 182 149 A 84 GLN H A 84 GLN HGy 1.0 . 4.34 183 150 A 84 GLN HGy A 84 GLN HBx 1.0 . 2.99 184 150 A 84 GLN HBy A 84 GLN HGy 1.0 . 2.99 185 151 A 84 GLN HA A 84 GLN HGy 1.0 . 4.20 186 152 A 84 GLN HGx A 84 GLN H 1.0 . 4.54 187 153 A 7 PRO HDx A 6 GLN HGx 1.0 . 4.62 188 153 A 7 PRO HDx A 6 GLN HGy 1.0 . 4.62 189 154 A 122 MET H A 122 MET HBy 1.0 . 3.38 190 155 A 122 MET HBy A 123 LEU HA 1.0 . 4.74 191 156 A 122 MET HBy A 123 LEU H 1.0 . 3.91 192 157 A 108 VAL HB A 109 ASP H 1.0 . 4.38 193 158 A 31 VAL HB A 89 VAL HGy% 1.0 . 4.56 194 159 A 31 VAL HB A 29 SER HBx 1.0 . 4.60 195 159 A 31 VAL HB A 29 SER HBy 1.0 . 4.60 196 160 A 53 LYS H A 53 LYS HBy 1.0 . 3.61 197 161 A 53 LYS HBy A 53 LYS HDx 1.0 . 3.36 198 161 A 53 LYS HDy A 53 LYS HBy 1.0 . 3.36 199 162 A 50 GLN HA A 53 LYS HBx 1.0 . 4.12 200 163 A 43 MET H A 42 MET HGy 1.0 . 4.70 201 164 A 42 MET HGy A 39 ASP HA 1.0 . 4.05 202 165 A 42 MET HGy A 42 MET HA 1.0 . 3.74 203 166 A 42 MET HGy A 42 MET H 1.0 . 3.68 204 167 A 42 MET H A 42 MET HGx 1.0 . 3.71 205 168 A 39 ASP HA A 42 MET HGx 1.0 . 4.38 206 169 A 42 MET HBx A 42 MET HGx 1.0 . 2.76 207 170 A 108 VAL HA A 101 MET HBx 1.0 . 4.06 208 170 A 101 MET HBy A 108 VAL HA 1.0 . 4.06 209 171 A 43 MET H A 42 MET HBx 1.0 . 4.33 210 172 A 90 LEU HDy% A 121 LYS HBy 1.0 . 4.49 211 173 A 90 LEU HDx% A 121 LYS HBy 1.0 . 4.98 212 174 A 121 LYS HBy A 121 LYS H 1.0 . 3.69 213 175 A 118 GLN HA A 121 LYS HBx 1.0 . 4.14 214 176 A 90 LEU HDy% A 121 LYS HBx 1.0 . 4.94 215 177 A 90 LEU HDx% A 121 LYS HBx 1.0 . 4.74 216 178 A 121 LYS H A 121 LYS HBx 1.0 . 3.63 217 179 A 16 MET H A 16 MET HGy 1.0 . 3.60 218 180 A 16 MET HGy A 16 MET HA 1.0 . 3.75 219 181 A 9 TRP HZ3 A 51 MET HGx 1.0 . 4.66 220 182 A 16 MET HGy A 48 ASN H 1.0 . 4.76 221 183 A 51 MET HGx A 9 TRP HE3 1.0 . 3.63 222 184 A 51 MET HA A 51 MET HGx 1.0 . 3.49 223 185 A 43 MET H A 43 MET HGy 1.0 . 4.68 224 186 A 43 MET HGy A 73 GLU HBx 1.0 . 3.17 225 187 A 122 MET HA A 122 MET HGx 1.0 . 3.78 226 188 A 54 MET HA A 54 MET HGx 1.0 . 3.75 227 189 A 43 MET HGx A 47 VAL HGy% 1.0 . 4.69 228 190 A 16 MET HA A 16 MET HGx 1.0 . 3.93 229 191 A 54 MET HGx A 54 MET HBy 1.0 . 2.98 230 192 A 16 MET HGx A 16 MET HBy 1.0 . 2.91 231 193 A 16 MET HGx A 16 MET HBx 1.0 . 2.83 232 194 A 16 MET HGx A 15 ALA HB% 1.0 . 5.22 233 195 A 12 PRO HBx A 51 MET HE% 1.0 . 3.72 234 196 A 117 MET H A 117 MET HGy 1.0 . 4.40 235 197 A 43 MET HGy A 47 VAL HGy% 1.0 . 4.93 236 198 A 122 MET H A 122 MET HGx 1.0 . 4.37 237 199 A 102 MET H A 102 MET HGy 1.0 . 3.76 238 200 A 99 GLU HA A 102 MET HGy 1.0 . 4.43 239 201 A 108 VAL HGx% A 102 MET HGy 1.0 . 4.57 240 202 A 102 MET H A 102 MET HGx 1.0 . 3.54 241 203 A 77 VAL H A 77 VAL HB 1.0 . 3.67 242 204 A 48 ASN HA A 51 MET HBx 1.0 . 3.72 243 204 A 48 ASN HA A 51 MET HBy 1.0 . 3.72 244 205 A 19 THR HG2% A 47 VAL HB 1.0 . 4.75 245 206 A 54 MET HE% A 66 MET HBx 1.0 . 4.78 246 207 A 66 MET HBx A 66 MET HE% 1.0 . 3.78 247 208 A 34 ALA HA A 37 MET HGy 1.0 . 4.55 248 209 A 37 MET HGy A 32 LEU HBx 1.0 . 4.52 249 209 A 37 MET HGy A 32 LEU HBy 1.0 . 4.52 250 210 A 102 MET HGx A 102 MET HA 1.0 . 4.01 251 211 A 8 ILE HD1% A 18 MET HBy 1.0 . 4.80 252 212 A 18 MET HBy A 18 MET H 1.0 . 4.15 253 213 A 90 LEU H A 89 VAL HB 1.0 . 3.36 254 214 A 78 VAL HB A 124 SER HBx 1.0 . 4.20 255 215 A 78 VAL HB A 75 ALA HA 1.0 . 3.69 256 216 A 102 MET H A 102 MET HBx 1.0 . 4.08 257 217 A 32 LEU HDy% A 37 MET HGy 1.0 . 5.28 258 218 A 9 TRP HBy A 10 THR H 1.0 . 4.40 259 219 A 63 LEU HDx% A 9 TRP HBy 1.0 . 4.73 260 220 A 51 MET HGx A 9 TRP HBx 1.0 . 4.38 261 221 A 63 LEU HDx% A 9 TRP HBx 1.0 . 4.65 262 222 A 99 GLU H A 99 GLU HBy 1.0 . 3.44 263 223 A 100 SER H A 99 GLU HBy 1.0 . 3.99 264 224 A 28 ARG HDy A 28 ARG HBx 1.0 . 3.90 265 224 A 28 ARG HDy A 28 ARG HBy 1.0 . 3.90 266 225 A 130 GLU HGx A 130 GLU HBx 1.0 . 2.48 267 226 A 66 MET H A 66 MET HGy 1.0 . 4.30 268 227 A 99 GLU H A 99 GLU HBx 1.0 . 3.58 269 228 A 108 VAL HGx% A 98 ARG HBx 1.0 . 4.71 270 228 A 108 VAL HGx% A 98 ARG HBy 1.0 . 4.71 271 229 A 98 ARG HBx A 98 ARG HDx 1.0 . 3.92 272 229 A 98 ARG HBy A 98 ARG HDx 1.0 . 3.92 273 229 A 98 ARG HDy A 98 ARG HBx 1.0 . 3.92 274 229 A 98 ARG HDy A 98 ARG HBy 1.0 . 3.92 275 230 A 108 VAL HGy% A 98 ARG HBx 1.0 . 5.11 276 230 A 108 VAL HGy% A 98 ARG HBy 1.0 . 5.11 277 231 A 64 ARG H A 64 ARG HBx 1.0 . 4.14 278 232 A 89 VAL HGy% A 32 LEU HG 1.0 . 4.92 279 233 A 32 LEU HG A 32 LEU H 1.0 . 4.09 280 234 A 32 LEU HG A 33 THR H 1.0 . 4.69 281 235 A 115 GLU HBx A 112 PHE HA 1.0 . 4.62 282 236 A 77 VAL HGy% A 76 GLU HBx 1.0 . 4.49 283 236 A 77 VAL HGy% A 76 GLU HBy 1.0 . 4.49 284 237 A 119 LEU HDy% A 115 GLU HBx 1.0 . 4.98 285 238 A 73 GLU HBx A 74 VAL HGx% 1.0 . 4.88 286 239 A 47 VAL HA A 50 GLN HBx 1.0 . 4.64 287 239 A 47 VAL HA A 50 GLN HBy 1.0 . 4.64 288 240 A 118 GLN HA A 121 LYS HDx 1.0 . 3.95 289 240 A 121 LYS HDy A 118 GLN HA 1.0 . 3.95 290 241 A 121 LYS HBy A 121 LYS HDx 1.0 . 3.45 291 241 A 121 LYS HDy A 121 LYS HBy 1.0 . 3.45 292 242 A 121 LYS HBx A 121 LYS HDx 1.0 . 3.30 293 242 A 121 LYS HDy A 121 LYS HBx 1.0 . 3.30 294 243 A 121 LYS H A 121 LYS HDx 1.0 . 4.54 295 243 A 121 LYS HDy A 121 LYS H 1.0 . 4.54 296 244 A 121 LYS HA A 121 LYS HDx 1.0 . 4.60 297 244 A 121 LYS HDy A 121 LYS HA 1.0 . 4.60 298 245 A 90 LEU HDy% A 121 LYS HDx 1.0 . 4.03 299 245 A 90 LEU HDy% A 121 LYS HDy 1.0 . 4.03 300 246 A 122 MET H A 121 LYS HDx 1.0 . 4.77 301 246 A 121 LYS HDy A 122 MET H 1.0 . 4.77 302 247 A 121 LYS HGx A 121 LYS HDx 1.0 . 2.80 303 247 A 121 LYS HDy A 121 LYS HGx 1.0 . 2.80 304 248 A 90 LEU HDx% A 121 LYS HDx 1.0 . 4.55 305 248 A 90 LEU HDx% A 121 LYS HDy 1.0 . 4.55 306 249 A 74 VAL HGx% A 73 GLU HBy 1.0 . 4.76 307 250 A 10 THR HG2% A 6 GLN HBy 1.0 . 5.06 308 251 A 10 THR HG2% A 6 GLN HBx 1.0 . 4.94 309 252 A 7 PRO HDx A 6 GLN HBx 1.0 . 4.58 310 253 A 133 THR HA A 133 THR HB 1.0 . 2.69 311 254 A 73 GLU HBx A 43 MET HBy 1.0 . 3.72 312 255 A 53 LYS H A 52 GLN HBx 1.0 . 3.91 313 255 A 53 LYS H A 52 GLN HBy 1.0 . 3.91 314 256 A 43 MET HBx A 44 ALA H 1.0 . 4.27 315 257 A 100 SER HA A 103 GLN HBy 1.0 . 4.13 316 258 A 49 SER HA A 52 GLN HBx 1.0 . 4.04 317 258 A 52 GLN HBy A 49 SER HA 1.0 . 4.04 318 259 A 103 GLN HBy A 103 GLN H 1.0 . 3.50 319 260 A 103 GLN HBx A 104 ALA H 1.0 . 3.89 320 261 A 100 SER HA A 103 GLN HBx 1.0 . 4.63 321 262 A 98 ARG H A 98 ARG HGy 1.0 . 4.14 322 263 A 113 THR HG2% A 98 ARG HGy 1.0 . 4.82 323 264 A 108 VAL HGy% A 98 ARG HGx 1.0 . 4.82 324 265 A 93 ILE H A 93 ILE HG1y 1.0 . 4.14 325 266 A 93 ILE HG1y A 90 LEU HA 1.0 . 4.84 326 267 A 89 VAL HGx% A 93 ILE HG1x 1.0 . 4.12 327 268 A 8 ILE HG1y A 15 ALA HA 1.0 . 4.37 328 269 A 8 ILE HG1y A 18 MET HE% 1.0 . 5.23 329 270 A 106 GLY HAx A 8 ILE HG1y 1.0 . 4.09 330 271 A 15 ALA HB% A 8 ILE HG1y 1.0 . 5.13 331 272 A 15 ALA HA A 8 ILE HG1x 1.0 . 4.45 332 273 A 118 GLN HBy A 119 LEU H 1.0 . 4.07 333 274 A 59 PRO HGy A 62 ARG HGx 1.0 . 4.53 334 275 A 63 LEU HDx% A 7 PRO HGx 1.0 . 4.91 335 276 A 63 LEU HDy% A 7 PRO HGx 1.0 . 4.69 336 277 A 28 ARG HBx A 28 ARG HGx 1.0 . 2.63 337 277 A 28 ARG HBy A 28 ARG HGx 1.0 . 2.63 338 277 A 28 ARG HGy A 28 ARG HBx 1.0 . 2.63 339 277 A 28 ARG HBy A 28 ARG HGy 1.0 . 2.63 340 278 A 59 PRO HGx A 62 ARG H 1.0 . 4.50 341 279 A 64 ARG H A 64 ARG HGx 1.0 . 4.17 342 280 A 64 ARG HA A 64 ARG HGx 1.0 . 4.25 343 281 A 65 ALA H A 64 ARG HGx 1.0 . 5.50 344 282 A 22 LEU HG A 40 MET HE% 1.0 . 4.31 345 283 A 22 LEU HG A 22 LEU H 1.0 . 4.47 346 284 A 97 LEU H A 97 LEU HG 1.0 . 4.63 347 285 A 55 GLY HAx A 56 PRO HGx 1.0 . 4.62 348 285 A 55 GLY HAx A 56 PRO HGy 1.0 . 4.62 349 286 A 57 ASN H A 56 PRO HGx 1.0 . 4.61 350 286 A 56 PRO HGy A 57 ASN H 1.0 . 4.61 351 287 A 123 LEU HDx% A 119 LEU HG 1.0 . 4.75 352 288 A 63 LEU H A 63 LEU HG 1.0 . 3.99 353 289 A 90 LEU HG A 117 MET HE% 1.0 . 4.74 354 290 A 16 MET HA A 19 THR HB 1.0 . 4.46 355 291 A 68 THR HB A 69 ALA HA 1.0 . 4.26 356 292 A 119 LEU HBy A 119 LEU HDx% 1.0 . 3.63 357 293 A 97 LEU HDy% A 97 LEU H 1.0 . 4.66 358 294 A 97 LEU HDy% A 101 MET HGy 1.0 . 5.15 359 295 A 97 LEU HDy% A 116 VAL HGx% 1.0 . 4.30 360 296 A 113 THR HB A 114 ASN H 1.0 . 4.19 361 297 A 22 LEU HBy A 19 THR HA 1.0 . 4.06 362 298 A 90 LEU HDx% A 121 LYS HGy 1.0 . 3.98 363 299 A 63 LEU HDy% A 63 LEU H 1.0 . 4.62 364 300 A 7 PRO HDy A 63 LEU HDy% 1.0 . 3.69 365 301 A 63 LEU HDy% A 9 TRP HBy 1.0 . 5.00 366 302 A 119 LEU HDx% A 68 THR HA 1.0 . 3.88 367 303 A 119 LEU HDx% A 122 MET HE% 1.0 . 3.71 368 304 A 119 LEU HDx% A 119 LEU HA 1.0 . 4.11 369 305 A 32 LEU H A 32 LEU HDx% 1.0 . 3.57 370 306 A 32 LEU HDx% A 89 VAL HA 1.0 . 4.44 371 307 A 32 LEU HDx% A 36 GLN HBy 1.0 . 4.39 372 308 A 32 LEU HDx% A 92 THR HG2% 1.0 . 3.72 373 309 A 89 VAL HGy% A 32 LEU HDx% 1.0 . 3.98 374 310 A 33 THR H A 32 LEU HDx% 1.0 . 4.75 375 311 A 93 ILE H A 32 LEU HDx% 1.0 . 4.56 376 312 A 32 LEU HDx% A 31 VAL H 1.0 . 4.46 377 313 A 32 LEU HDx% A 32 LEU HA 1.0 . 4.24 378 314 A 32 LEU HDy% A 33 THR H 1.0 . 4.23 379 315 A 32 LEU HDy% A 32 LEU H 1.0 . 4.18 380 316 A 32 LEU HDy% A 36 GLN HE2y 1.0 . 5.03 381 317 A 32 LEU HDy% A 37 MET HA 1.0 . 4.15 382 318 A 32 LEU HDy% A 36 GLN HBy 1.0 . 3.50 383 319 A 32 LEU HDy% A 40 MET HE% 1.0 . 4.17 384 320 A 32 LEU HDy% A 26 ALA HB% 1.0 . 3.64 385 321 A 108 VAL HGy% A 113 THR HB 1.0 . 4.36 386 322 A 92 THR HA A 95 ALA H 1.0 . 4.56 387 323 A 121 LYS HA A 121 LYS HGy 1.0 . 4.18 388 324 A 53 LYS HGy A 53 LYS HEx 1.0 . 3.84 389 324 A 53 LYS HEy A 53 LYS HGy 1.0 . 3.84 390 325 A 121 LYS HGy A 121 LYS HDx 1.0 . 2.85 391 325 A 121 LYS HDy A 121 LYS HGy 1.0 . 2.85 392 326 A 121 LYS H A 121 LYS HGy 1.0 . 4.10 393 327 A 90 LEU HDy% A 121 LYS HGx 1.0 . 4.58 394 328 A 121 LYS HGx A 121 LYS H 1.0 . 4.27 395 329 A 63 LEU HDy% A 63 LEU HBx 1.0 . 3.43 396 330 A 90 LEU HDy% A 86 TYR HD% 1.0 . 5.11 397 331 A 90 LEU HDy% A 90 LEU H 1.0 . 4.23 398 332 A 90 LEU HDy% A 121 LYS H 1.0 . 5.05 399 333 A 90 LEU HDy% A 121 LYS HA 1.0 . 4.58 400 334 A 90 LEU HDy% A 90 LEU HBx 1.0 . 3.79 401 335 A 36 GLN H A 32 LEU HDy% 1.0 . 5.12 402 336 A 116 VAL HA A 119 LEU H 1.0 . 4.69 403 337 A 71 ALA HB% A 116 VAL HA 1.0 . 4.53 404 338 A 116 VAL HA A 119 LEU HDy% 1.0 . 4.35 405 339 A 116 VAL HA A 71 ALA HA 1.0 . 4.65 406 340 A 53 LYS HGy A 53 LYS HA 1.0 . 3.92 407 341 A 53 LYS H A 53 LYS HGx 1.0 . 3.84 408 342 A 53 LYS HGx A 53 LYS HEx 1.0 . 3.98 409 342 A 53 LYS HEy A 53 LYS HGx 1.0 . 3.98 410 343 A 123 LEU HDx% A 120 VAL HGy% 1.0 . 4.40 411 344 A 123 LEU HDx% A 72 ALA HA 1.0 . 3.49 412 345 A 123 LEU HDx% A 123 LEU HBy 1.0 . 3.75 413 346 A 123 LEU HDx% A 123 LEU HBx 1.0 . 3.18 414 347 A 75 ALA HA A 120 VAL HA 1.0 . 4.06 415 348 A 74 VAL HA A 76 GLU HBx 1.0 . 4.67 416 348 A 76 GLU HBy A 74 VAL HA 1.0 . 4.67 417 349 A 90 LEU HDx% A 86 TYR HE% 1.0 . 4.69 418 350 A 90 LEU HDx% A 121 LYS H 1.0 . 5.14 419 351 A 90 LEU HDx% A 94 GLY HAx 1.0 . 4.79 420 352 A 90 LEU HDx% A 90 LEU HA 1.0 . 3.52 421 353 A 97 LEU HDy% A 113 THR HA 1.0 . 5.02 422 354 A 78 VAL HA A 81 SER HG 1.0 . 4.39 423 355 A 98 ARG HA A 97 LEU HDx% 1.0 . 4.41 424 356 A 97 LEU HDx% A 70 MET HE% 1.0 . 3.71 425 357 A 97 LEU H A 97 LEU HDx% 1.0 . 4.37 426 358 A 97 LEU HA A 97 LEU HDx% 1.0 . 3.41 427 359 A 113 THR HA A 97 LEU HDx% 1.0 . 4.95 428 360 A 101 MET HGy A 97 LEU HDx% 1.0 . 5.13 429 361 A 97 LEU HBy A 97 LEU HDx% 1.0 . 3.95 430 362 A 97 LEU HDx% A 116 VAL HGy% 1.0 . 4.09 431 363 A 116 VAL HGx% A 97 LEU HDx% 1.0 . 4.64 432 364 A 90 LEU HDx% A 90 LEU HBx 1.0 . 3.86 433 365 A 71 ALA HB% A 68 THR HA 1.0 . 4.22 434 366 A 74 VAL HGx% A 75 ALA H 1.0 . 4.82 435 367 A 63 LEU HDx% A 64 ARG H 1.0 . 4.79 436 368 A 63 LEU HDx% A 9 TRP HD1 1.0 . 4.15 437 369 A 63 LEU HDx% A 9 TRP H 1.0 . 5.15 438 370 A 63 LEU HDx% A 63 LEU HA 1.0 . 3.31 439 371 A 23 VAL HGx% A 23 VAL H 1.0 . 3.30 440 372 A 23 VAL HGx% A 40 MET HGy 1.0 . 5.17 441 373 A 74 VAL HGx% A 74 VAL H 1.0 . 3.36 442 374 A 74 VAL HGx% A 71 ALA HA 1.0 . 4.60 443 375 A 74 VAL HGx% A 74 VAL HA 1.0 . 3.55 444 376 A 119 LEU HDy% A 119 LEU HA 1.0 . 3.31 445 377 A 96 CYS H A 22 LEU HDx% 1.0 . 4.37 446 377 A 22 LEU HDy% A 96 CYS H 1.0 . 4.37 447 378 A 22 LEU H A 22 LEU HDx% 1.0 . 4.04 448 378 A 22 LEU HDy% A 22 LEU H 1.0 . 4.04 449 379 A 22 LEU HA A 22 LEU HDx% 1.0 . 3.43 450 379 A 22 LEU HDy% A 22 LEU HA 1.0 . 3.43 451 380 A 96 CYS HBy A 22 LEU HDx% 1.0 . 4.22 452 380 A 22 LEU HDy% A 96 CYS HBy 1.0 . 4.22 453 381 A 96 CYS HBx A 22 LEU HDx% 1.0 . 3.81 454 381 A 22 LEU HDy% A 96 CYS HBx 1.0 . 3.81 455 382 A 96 CYS HA A 22 LEU HDx% 1.0 . 4.13 456 382 A 22 LEU HDy% A 96 CYS HA 1.0 . 4.13 457 383 A 63 LEU HDx% A 62 ARG HBx 1.0 . 3.32 458 384 A 108 VAL HGx% A 107 SER HBx 1.0 . 4.47 459 384 A 108 VAL HGx% A 107 SER HBy 1.0 . 4.47 460 385 A 120 VAL HGy% A 120 VAL H 1.0 . 3.38 461 386 A 120 VAL HGy% A 71 ALA HA 1.0 . 3.70 462 387 A 120 VAL HGy% A 74 VAL HB 1.0 . 3.51 463 388 A 120 VAL HGy% A 120 VAL HA 1.0 . 4.00 464 389 A 23 VAL HGx% A 22 LEU HG 1.0 . 3.86 465 390 A 23 VAL HGx% A 24 GLN H 1.0 . 4.33 466 391 A 23 VAL HGx% A 20 ASN HA 1.0 . 4.04 467 392 A 23 VAL HGx% A 44 ALA H 1.0 . 4.21 468 393 A 23 VAL HGx% A 40 MET HBy 1.0 . 4.57 469 394 A 89 VAL HGy% A 89 VAL H 1.0 . 3.17 470 395 A 89 VAL HGy% A 88 ALA H 1.0 . 4.28 471 396 A 89 VAL HGy% A 36 GLN HE2x 1.0 . 5.15 472 397 A 89 VAL HGy% A 81 SER HG 1.0 . 4.55 473 398 A 89 VAL HGy% A 32 LEU HA 1.0 . 4.32 474 399 A 89 VAL HGy% A 81 SER HBx 1.0 . 3.71 475 399 A 89 VAL HGy% A 81 SER HBy 1.0 . 3.71 476 400 A 89 VAL HGy% A 89 VAL HA 1.0 . 3.31 477 401 A 90 LEU H A 89 VAL HGy% 1.0 . 4.15 478 402 A 89 VAL HGy% A 36 GLN HE2y 1.0 . 4.31 479 403 A 48 ASN H A 47 VAL HGy% 1.0 . 4.21 480 404 A 50 GLN HE2y A 47 VAL HGy% 1.0 . 4.94 481 404 A 47 VAL HGy% A 50 GLN HE2x 1.0 . 4.94 482 405 A 47 VAL H A 47 VAL HGy% 1.0 . 3.52 483 406 A 46 SER HBy A 47 VAL HGy% 1.0 . 4.36 484 407 A 70 MET HA A 47 VAL HGy% 1.0 . 3.74 485 408 A 47 VAL HA A 47 VAL HGy% 1.0 . 3.46 486 409 A 70 MET HGx A 47 VAL HGy% 1.0 . 4.24 487 410 A 44 ALA HB% A 47 VAL HGy% 1.0 . 4.09 488 411 A 119 LEU HDy% A 68 THR HG2% 1.0 . 3.73 489 412 A 113 THR HG2% A 113 THR H 1.0 . 3.54 490 413 A 98 ARG H A 113 THR HG2% 1.0 . 4.80 491 414 A 113 THR HG2% A 98 ARG HA 1.0 . 3.89 492 415 A 113 THR HG2% A 113 THR HA 1.0 . 3.54 493 416 A 113 THR HG2% A 109 ASP HBy 1.0 . 4.50 494 417 A 113 THR HG2% A 101 MET HGy 1.0 . 4.46 495 418 A 113 THR HG2% A 101 MET HGx 1.0 . 4.47 496 419 A 113 THR HG2% A 101 MET HBx 1.0 . 4.57 497 419 A 113 THR HG2% A 101 MET HBy 1.0 . 4.57 498 420 A 113 THR HG2% A 98 ARG HBx 1.0 . 3.85 499 420 A 113 THR HG2% A 98 ARG HBy 1.0 . 3.85 500 421 A 113 THR HG2% A 101 MET HE% 1.0 . 4.30 501 422 A 113 THR HG2% A 97 LEU HDx% 1.0 . 3.84 502 423 A 120 VAL HGy% A 74 VAL HGy% 1.0 . 3.64 503 424 A 75 ALA H A 74 VAL HGy% 1.0 . 4.52 504 425 A 74 VAL HA A 74 VAL HGy% 1.0 . 3.66 505 426 A 78 VAL HGx% A 124 SER HBy 1.0 . 4.50 506 427 A 117 MET H A 116 VAL HGx% 1.0 . 4.24 507 428 A 116 VAL H A 116 VAL HGx% 1.0 . 3.29 508 429 A 115 GLU H A 116 VAL HGx% 1.0 . 4.78 509 430 A 112 PHE HA A 116 VAL HGx% 1.0 . 5.01 510 431 A 116 VAL HGx% A 67 ASN HA 1.0 . 5.02 511 432 A 116 VAL HGx% A 71 ALA HA 1.0 . 4.81 512 433 A 116 VAL HA A 116 VAL HGx% 1.0 . 3.58 513 434 A 67 ASN HBx A 116 VAL HGx% 1.0 . 4.51 514 435 A 115 GLU HBy A 116 VAL HGx% 1.0 . 4.62 515 436 A 71 ALA HB% A 116 VAL HGx% 1.0 . 4.22 516 437 A 116 VAL HGx% A 67 ASN HBy 1.0 . 4.68 517 438 A 85 SER H A 85 SER HBx 1.0 . 3.98 518 438 A 85 SER H A 85 SER HBy 1.0 . 3.98 519 439 A 124 SER HBx A 75 ALA HA 1.0 . 3.43 520 440 A 10 THR HG2% A 57 ASN HA 1.0 . 5.11 521 441 A 10 THR HG2% A 10 THR HA 1.0 . 3.46 522 442 A 68 THR HG2% A 72 ALA H 1.0 . 4.67 523 443 A 68 THR HG2% A 69 ALA H 1.0 . 4.25 524 444 A 68 THR HG2% A 68 THR H 1.0 . 3.99 525 445 A 69 ALA HA A 68 THR HG2% 1.0 . 3.76 526 446 A 68 THR HA A 68 THR HG2% 1.0 . 3.58 527 447 A 68 THR HG2% A 72 ALA HB% 1.0 . 3.44 528 448 A 119 LEU HDx% A 68 THR HG2% 1.0 . 3.18 529 449 A 123 LEU HDx% A 68 THR HG2% 1.0 . 3.86 530 450 A 78 VAL HA A 78 VAL HGy% 1.0 . 3.70 531 451 A 77 VAL HB A 78 VAL HGy% 1.0 . 4.78 532 452 A 78 VAL HGy% A 79 ALA H 1.0 . 4.16 533 453 A 78 VAL HGy% A 78 VAL H 1.0 . 3.31 534 454 A 77 VAL H A 78 VAL HGy% 1.0 . 4.87 535 455 A 75 ALA HA A 78 VAL HGy% 1.0 . 4.06 536 456 A 90 LEU HA A 78 VAL HGy% 1.0 . 4.44 537 457 A 78 VAL HGy% A 75 ALA HB% 1.0 . 4.39 538 458 A 20 ASN HD2x A 19 THR HG2% 1.0 . 5.28 539 459 A 19 THR HG2% A 19 THR H 1.0 . 3.67 540 460 A 19 THR HG2% A 44 ALA H 1.0 . 4.77 541 461 A 19 THR HG2% A 19 THR HG1 1.0 . 3.68 542 462 A 19 THR HG2% A 18 MET HE% 1.0 . 4.19 543 463 A 19 THR HG2% A 47 VAL HGy% 1.0 . 3.33 544 464 A 48 ASN H A 19 THR HG2% 1.0 . 4.47 545 465 A 19 THR HG2% A 20 ASN HD2y 1.0 . 5.06 546 466 A 19 THR HG2% A 20 ASN HA 1.0 . 4.03 547 467 A 19 THR HG2% A 44 ALA HA 1.0 . 3.43 548 468 A 19 THR HA A 19 THR HG2% 1.0 . 3.60 549 469 A 16 MET HE% A 19 THR HG2% 1.0 . 3.82 550 470 A 19 THR HG2% A 22 LEU HDx% 1.0 . 4.01 551 470 A 22 LEU HDy% A 19 THR HG2% 1.0 . 4.01 552 471 A 123 LEU H A 123 LEU HDy% 1.0 . 4.02 553 472 A 122 MET HE% A 123 LEU HDy% 1.0 . 3.97 554 473 A 68 THR HG2% A 123 LEU HDy% 1.0 . 4.04 555 474 A 123 LEU HA A 123 LEU HDy% 1.0 . 3.15 556 475 A 123 LEU HBy A 123 LEU HDy% 1.0 . 4.14 557 476 A 121 LYS H A 120 VAL HGx% 1.0 . 4.37 558 477 A 89 VAL HGx% A 81 SER HG 1.0 . 5.08 559 478 A 117 MET HE% A 120 VAL HGx% 1.0 . 4.36 560 479 A 89 VAL HGx% A 81 SER H 1.0 . 5.11 561 480 A 89 VAL HGx% A 36 GLN HE2y 1.0 . 4.48 562 481 A 90 LEU HA A 89 VAL HGx% 1.0 . 4.34 563 482 A 89 VAL HGx% A 89 VAL HA 1.0 . 3.73 564 483 A 78 VAL HGx% A 124 SER HG 1.0 . 4.74 565 484 A 124 SER HBx A 78 VAL HGx% 1.0 . 4.79 566 485 A 78 VAL HGx% A 81 SER HBx 1.0 . 4.17 567 485 A 81 SER HBy A 78 VAL HGx% 1.0 . 4.17 568 486 A 90 LEU HA A 78 VAL HGx% 1.0 . 4.36 569 487 A 78 VAL HA A 78 VAL HGx% 1.0 . 3.73 570 488 A 86 TYR HD% A 78 VAL HGx% 1.0 . 4.29 571 489 A 96 CYS HBy A 93 ILE HA 1.0 . 4.55 572 490 A 80 THR HA A 80 THR HG2% 1.0 . 3.10 573 491 A 33 THR H A 33 THR HG2% 1.0 . 3.17 574 492 A 36 GLN H A 33 THR HG2% 1.0 . 4.68 575 493 A 35 ASP HBx A 33 THR HG2% 1.0 . 4.58 576 494 A 33 THR HG2% A 36 GLN HBx 1.0 . 3.28 577 495 A 32 LEU HDy% A 33 THR HG2% 1.0 . 5.18 578 496 A 133 THR HG2% A 131 VAL HGx% 1.0 . 3.92 579 496 A 131 VAL HGy% A 133 THR HG2% 1.0 . 3.92 580 497 A 77 VAL HGy% A 78 VAL H 1.0 . 4.16 581 498 A 77 VAL HGy% A 76 GLU H 1.0 . 4.71 582 499 A 77 VAL HGy% A 77 VAL HA 1.0 . 3.53 583 500 A 77 VAL HGy% A 74 VAL HA 1.0 . 3.97 584 501 A 77 VAL HGy% A 39 ASP H 1.0 . 4.60 585 502 A 77 VAL HGy% A 77 VAL H 1.0 . 3.29 586 503 A 77 VAL HGy% A 40 MET HA 1.0 . 4.28 587 504 A 77 VAL HGy% A 40 MET HGx 1.0 . 3.80 588 505 A 19 THR HG1 A 47 VAL HGx% 1.0 . 5.26 589 506 A 47 VAL HA A 47 VAL HGx% 1.0 . 3.68 590 507 A 16 MET HGy A 47 VAL HGx% 1.0 . 4.77 591 508 A 47 VAL H A 47 VAL HGx% 1.0 . 4.16 592 509 A 48 ASN H A 47 VAL HGx% 1.0 . 4.24 593 510 A 19 THR HG2% A 47 VAL HGx% 1.0 . 3.70 594 511 A 46 SER H A 47 VAL HGx% 1.0 . 5.50 595 512 A 108 VAL HGy% A 108 VAL H 1.0 . 3.85 596 513 A 108 VAL HGy% A 109 ASP H 1.0 . 3.65 597 514 A 108 VAL HGy% A 108 VAL HA 1.0 . 3.21 598 515 A 113 THR HG2% A 108 VAL HGy% 1.0 . 3.70 599 516 A 90 LEU H A 89 VAL HGx% 1.0 . 4.10 600 517 A 89 VAL HGx% A 89 VAL H 1.0 . 4.14 601 518 A 27 SER HBx A 28 ARG HBx 1.0 . 4.16 602 518 A 27 SER HBy A 28 ARG HBx 1.0 . 4.16 603 518 A 28 ARG HBy A 27 SER HBx 1.0 . 4.16 604 518 A 28 ARG HBy A 27 SER HBy 1.0 . 4.16 605 519 A 105 THR H A 105 THR HG2% 1.0 . 3.66 606 520 A 104 ALA H A 105 THR HG2% 1.0 . 4.88 607 521 A 105 THR HG2% A 14 ALA HA 1.0 . 3.40 608 522 A 105 THR HG2% A 14 ALA HB% 1.0 . 3.49 609 523 A 105 THR HG2% A 104 ALA HB% 1.0 . 3.62 610 524 A 108 VAL HGx% A 108 VAL H 1.0 . 3.29 611 525 A 108 VAL HGx% A 107 SER HA 1.0 . 4.35 612 526 A 108 VAL HGx% A 103 GLN H 1.0 . 4.94 613 527 A 108 VAL HGx% A 102 MET H 1.0 . 3.84 614 528 A 108 VAL HGx% A 102 MET HA 1.0 . 3.98 615 529 A 108 VAL HGx% A 108 VAL HA 1.0 . 3.27 616 530 A 108 VAL HGx% A 98 ARG HGx 1.0 . 4.65 617 531 A 77 VAL HGx% A 78 VAL H 1.0 . 3.75 618 532 A 31 VAL H A 31 VAL HGx% 1.0 . 3.76 619 533 A 31 VAL HGx% A 92 THR HG1 1.0 . 4.45 620 534 A 31 VAL HGx% A 31 VAL HA 1.0 . 3.14 621 535 A 31 VAL HGx% A 88 ALA HB% 1.0 . 3.32 622 536 A 56 PRO HA A 57 ASN HBy 1.0 . 4.64 623 537 A 28 ARG H A 27 SER HBx 1.0 . 3.57 624 537 A 27 SER HBy A 28 ARG H 1.0 . 3.57 625 538 A 26 ALA HB% A 27 SER HBx 1.0 . 4.68 626 538 A 26 ALA HB% A 27 SER HBy 1.0 . 4.68 627 539 A 37 MET HBx A 27 SER HBx 1.0 . 3.67 628 539 A 27 SER HBy A 37 MET HBx 1.0 . 3.67 629 540 A 21 ASN H A 17 THR HG2% 1.0 . 4.52 630 541 A 17 THR HG2% A 18 MET H 1.0 . 4.00 631 542 A 17 THR HG2% A 17 THR H 1.0 . 3.77 632 543 A 20 ASN HD2x A 17 THR HG2% 1.0 . 5.23 633 544 A 17 THR HG2% A 21 ASN HD2x 1.0 . 3.92 634 545 A 17 THR HG2% A 21 ASN HD2y 1.0 . 4.08 635 546 A 17 THR HG2% A 104 ALA HA 1.0 . 3.17 636 547 A 17 THR HG2% A 17 THR HA 1.0 . 3.33 637 548 A 21 ASN HBy A 17 THR HG2% 1.0 . 4.67 638 549 A 17 THR HG2% A 103 GLN HBy 1.0 . 4.53 639 550 A 17 THR HG2% A 103 GLN HBx 1.0 . 4.53 640 551 A 17 THR HG2% A 104 ALA HB% 1.0 . 3.53 641 552 A 89 VAL H A 31 VAL HGx% 1.0 . 4.12 642 553 A 23 VAL HGy% A 24 GLN H 1.0 . 3.86 643 554 A 23 VAL HGy% A 23 VAL HA 1.0 . 3.35 644 555 A 77 VAL HGx% A 77 VAL H 1.0 . 4.10 645 556 A 77 VAL HGx% A 77 VAL HA 1.0 . 3.50 646 557 A 77 VAL HGx% A 78 VAL HA 1.0 . 4.13 647 558 A 77 VAL HGx% A 40 MET HGy 1.0 . 4.17 648 559 A 23 VAL HGy% A 40 MET HBy 1.0 . 3.59 649 560 A 77 VAL HGx% A 36 GLN HE2y 1.0 . 5.23 650 561 A 49 SER H A 49 SER HBx 1.0 . 3.17 651 562 A 89 VAL HB A 81 SER HBx 1.0 . 4.20 652 562 A 89 VAL HB A 81 SER HBy 1.0 . 4.20 653 563 A 89 VAL HGy% A 86 TYR HA 1.0 . 5.06 654 564 A 86 TYR HD% A 81 SER HBx 1.0 . 4.02 655 564 A 86 TYR HD% A 81 SER HBy 1.0 . 4.02 656 565 A 104 ALA HB% A 106 GLY H 1.0 . 4.27 657 566 A 18 MET H A 104 ALA HB% 1.0 . 3.93 658 567 A 104 ALA H A 104 ALA HB% 1.0 . 3.21 659 568 A 104 ALA HB% A 17 THR HB 1.0 . 4.01 660 569 A 104 ALA HB% A 101 MET HA 1.0 . 3.70 661 570 A 104 ALA HB% A 18 MET HA 1.0 . 4.21 662 571 A 104 ALA HB% A 18 MET HGx 1.0 . 4.60 663 571 A 104 ALA HB% A 18 MET HGy 1.0 . 4.60 664 572 A 18 MET HBy A 104 ALA HB% 1.0 . 4.88 665 573 A 88 ALA HB% A 31 VAL HGy% 1.0 . 4.02 666 574 A 92 THR HG2% A 31 VAL HGy% 1.0 . 3.55 667 575 A 32 LEU H A 31 VAL HGy% 1.0 . 3.83 668 576 A 31 VAL H A 31 VAL HGy% 1.0 . 3.25 669 577 A 31 VAL HGy% A 30 GLY H 1.0 . 4.42 670 578 A 31 VAL HGy% A 29 SER HG 1.0 . 5.07 671 579 A 92 THR HG1 A 31 VAL HGy% 1.0 . 4.65 672 580 A 31 VAL HA A 31 VAL HGy% 1.0 . 3.25 673 581 A 31 VAL HGy% A 29 SER HBx 1.0 . 3.64 674 581 A 29 SER HBy A 31 VAL HGy% 1.0 . 3.64 675 582 A 100 SER HA A 100 SER HG 1.0 . 3.98 676 583 A 100 SER HA A 99 GLU HBx 1.0 . 4.27 677 584 A 88 ALA HB% A 87 SER HBx 1.0 . 4.62 678 584 A 88 ALA HB% A 87 SER HBy 1.0 . 4.62 679 585 A 89 VAL H A 86 TYR HA 1.0 . 3.91 680 586 A 116 VAL HGy% A 117 MET HA 1.0 . 4.61 681 587 A 117 MET H A 116 VAL HGy% 1.0 . 3.93 682 588 A 116 VAL H A 116 VAL HGy% 1.0 . 4.06 683 589 A 71 ALA HA A 116 VAL HGy% 1.0 . 4.11 684 590 A 116 VAL HA A 116 VAL HGy% 1.0 . 3.72 685 591 A 71 ALA HB% A 116 VAL HGy% 1.0 . 3.86 686 592 A 120 VAL HGy% A 116 VAL HGy% 1.0 . 3.70 687 593 A 97 LEU HDy% A 116 VAL HGy% 1.0 . 3.41 688 594 A 37 MET HBx A 27 SER HA 1.0 . 4.03 689 595 A 27 SER HA A 29 SER H 1.0 . 4.35 690 596 A 27 SER HA A 37 MET HGx 1.0 . 4.76 691 597 A 131 VAL HA A 131 VAL HGx% 1.0 . 3.63 692 597 A 131 VAL HGy% A 131 VAL HA 1.0 . 3.63 693 598 A 108 VAL HA A 102 MET H 1.0 . 4.32 694 599 A 88 ALA H A 87 SER HBx 1.0 . 3.45 695 599 A 88 ALA H A 87 SER HBy 1.0 . 3.45 696 600 A 87 SER HA A 86 TYR HD% 1.0 . 4.14 697 601 A 90 LEU HBy A 87 SER HA 1.0 . 4.19 698 602 A 87 SER HA A 86 TYR HBx 1.0 . 4.43 699 603 A 92 THR HG2% A 96 CYS H 1.0 . 4.86 700 604 A 93 ILE H A 92 THR HG2% 1.0 . 4.06 701 605 A 92 THR HG2% A 29 SER H 1.0 . 4.39 702 606 A 92 THR HG2% A 29 SER HG 1.0 . 4.38 703 607 A 92 THR HG2% A 92 THR HA 1.0 . 3.37 704 608 A 92 THR HG2% A 26 ALA HA 1.0 . 3.90 705 609 A 92 THR HG2% A 93 ILE HA 1.0 . 4.51 706 610 A 31 VAL HB A 92 THR HG2% 1.0 . 3.89 707 611 A 32 LEU HDy% A 92 THR HG2% 1.0 . 4.57 708 612 A 92 THR HG2% A 93 ILE HD1% 1.0 . 4.60 709 613 A 105 THR HG2% A 105 THR HA 1.0 . 3.25 710 614 A 81 SER H A 80 THR HA 1.0 . 3.35 711 615 A 75 ALA H A 75 ALA HB% 1.0 . 3.42 712 616 A 75 ALA HB% A 76 GLU H 1.0 . 4.04 713 617 A 124 SER HBy A 75 ALA HB% 1.0 . 4.15 714 618 A 124 SER HBx A 75 ALA HB% 1.0 . 3.46 715 619 A 123 LEU HBy A 75 ALA HB% 1.0 . 3.75 716 620 A 75 ALA HB% A 120 VAL HGx% 1.0 . 3.51 717 621 A 71 ALA HB% A 120 VAL HGy% 1.0 . 3.69 718 622 A 71 ALA HB% A 119 LEU HDx% 1.0 . 3.46 719 623 A 71 ALA HB% A 72 ALA H 1.0 . 3.71 720 624 A 71 ALA HB% A 71 ALA H 1.0 . 3.26 721 625 A 71 ALA HB% A 70 MET H 1.0 . 4.23 722 626 A 71 ALA HB% A 119 LEU HA 1.0 . 5.11 723 627 A 71 ALA HB% A 119 LEU HBx 1.0 . 3.53 724 628 A 71 ALA HB% A 74 VAL HGx% 1.0 . 4.92 725 629 A 105 THR HA A 105 THR HB 1.0 . 2.51 726 630 A 52 GLN H A 49 SER HA 1.0 . 4.49 727 631 A 75 ALA HB% A 124 SER HA 1.0 . 4.86 728 632 A 75 ALA HB% A 125 ALA H 1.0 . 5.05 729 633 A 75 ALA HB% A 76 GLU HGx 1.0 . 5.33 730 633 A 76 GLU HGy A 75 ALA HB% 1.0 . 5.33 731 634 A 127 SER H A 125 ALA HB% 1.0 . 5.02 732 635 A 124 SER HA A 125 ALA HB% 1.0 . 4.87 733 636 A 79 ALA H A 79 ALA HB% 1.0 . 3.00 734 637 A 78 VAL H A 79 ALA HB% 1.0 . 4.67 735 638 A 76 GLU HA A 79 ALA HB% 1.0 . 3.31 736 639 A 79 ALA HB% A 76 GLU HBx 1.0 . 4.51 737 639 A 76 GLU HBy A 79 ALA HB% 1.0 . 4.51 738 640 A 125 ALA HB% A 124 SER H 1.0 . 4.55 739 641 A 33 THR HG2% A 33 THR HA 1.0 . 3.34 740 642 A 28 ARG H A 29 SER HA 1.0 . 4.45 741 643 A 31 VAL HGy% A 29 SER HA 1.0 . 5.03 742 644 A 29 SER HA A 29 SER HBx 1.0 . 3.01 743 644 A 29 SER HBy A 29 SER HA 1.0 . 3.01 744 645 A 26 ALA HA A 29 SER HA 1.0 . 4.46 745 646 A 98 ARG HA A 101 MET HBx 1.0 . 4.61 746 646 A 98 ARG HA A 101 MET HBy 1.0 . 4.61 747 647 A 70 MET HE% A 71 ALA H 1.0 . 4.75 748 648 A 70 MET HE% A 70 MET H 1.0 . 4.74 749 649 A 70 MET HE% A 112 PHE HE% 1.0 . 3.95 750 650 A 70 MET HE% A 19 THR HG1 1.0 . 5.26 751 651 A 70 MET HE% A 67 ASN HA 1.0 . 5.08 752 652 A 19 THR HA A 70 MET HE% 1.0 . 4.23 753 653 A 70 MET HGy A 70 MET HE% 1.0 . 3.47 754 654 A 70 MET HE% A 70 MET HGx 1.0 . 3.42 755 655 A 19 THR HG2% A 70 MET HE% 1.0 . 3.88 756 656 A 97 LEU HDy% A 70 MET HE% 1.0 . 2.93 757 657 A 70 MET HE% A 116 VAL HGy% 1.0 . 3.88 758 658 A 116 VAL HGx% A 70 MET HE% 1.0 . 4.10 759 659 A 127 SER H A 128 ALA HB% 1.0 . 5.15 760 660 A 128 ALA HB% A 86 TYR HE% 1.0 . 4.90 761 661 A 128 ALA HB% A 127 SER HBx 1.0 . 4.89 762 661 A 128 ALA HB% A 127 SER HBy 1.0 . 4.89 763 662 A 116 VAL H A 112 PHE HA 1.0 . 3.87 764 663 A 112 PHE HA A 112 PHE HD% 1.0 . 4.34 765 664 A 33 THR HA A 34 ALA HB% 1.0 . 4.69 766 665 A 98 ARG HA A 101 MET H 1.0 . 4.47 767 666 A 108 VAL HGx% A 98 ARG HA 1.0 . 4.53 768 667 A 98 ARG HA A 98 ARG HGx 1.0 . 3.90 769 668 A 98 ARG HA A 108 VAL HGy% 1.0 . 4.41 770 669 A 70 MET HE% A 19 THR H 1.0 . 5.50 771 670 A 101 MET HE% A 113 THR H 1.0 . 4.10 772 671 A 101 MET HE% A 112 PHE H 1.0 . 5.01 773 672 A 101 MET HE% A 109 ASP H 1.0 . 3.86 774 673 A 101 MET HE% A 112 PHE HD% 1.0 . 3.35 775 674 A 101 MET HE% A 101 MET HA 1.0 . 4.10 776 675 A 101 MET HE% A 108 VAL HA 1.0 . 4.32 777 676 A 106 GLY HAx A 101 MET HE% 1.0 . 4.64 778 677 A 101 MET HE% A 112 PHE HBy 1.0 . 4.45 779 678 A 101 MET HE% A 109 ASP HBy 1.0 . 3.29 780 679 A 101 MET HE% A 101 MET HGy 1.0 . 3.60 781 680 A 101 MET HE% A 101 MET HGx 1.0 . 3.46 782 681 A 101 MET HE% A 101 MET HBx 1.0 . 3.22 783 681 A 101 MET HE% A 101 MET HBy 1.0 . 3.22 784 682 A 101 MET HE% A 8 ILE HB 1.0 . 3.27 785 683 A 101 MET HE% A 97 LEU HDx% 1.0 . 4.67 786 684 A 101 MET HE% A 8 ILE HG1x 1.0 . 4.74 787 685 A 101 MET HE% A 8 ILE HD1% 1.0 . 3.51 788 686 A 101 MET HE% A 8 ILE HG2% 1.0 . 3.94 789 687 A 51 MET HGx A 15 ALA HB% 1.0 . 4.92 790 688 A 15 ALA HB% A 8 ILE HG2% 1.0 . 5.12 791 689 A 15 ALA HB% A 51 MET HGy 1.0 . 4.90 792 690 A 115 GLU H A 112 PHE HA 1.0 . 4.22 793 691 A 121 LYS HA A 120 VAL HGx% 1.0 . 4.27 794 692 A 121 LYS HGx A 121 LYS HA 1.0 . 4.20 795 693 A 12 PRO HA A 15 ALA HB% 1.0 . 4.09 796 694 A 15 ALA HB% A 8 ILE HD1% 1.0 . 4.64 797 695 A 14 ALA HB% A 15 ALA H 1.0 . 3.63 798 696 A 15 ALA HA A 14 ALA HB% 1.0 . 4.62 799 697 A 14 ALA HB% A 11 ASN HBy 1.0 . 3.80 800 698 A 8 ILE HG1y A 14 ALA HB% 1.0 . 4.58 801 699 A 8 ILE HG1x A 14 ALA HB% 1.0 . 4.88 802 700 A 73 GLU HA A 72 ALA HB% 1.0 . 3.88 803 701 A 18 MET HA A 18 MET HGx 1.0 . 4.03 804 701 A 18 MET HA A 18 MET HGy 1.0 . 4.03 805 702 A 21 ASN HBy A 18 MET HA 1.0 . 4.19 806 703 A 21 ASN HBx A 18 MET HA 1.0 . 4.45 807 704 A 111 ALA H A 111 ALA HB% 1.0 . 3.30 808 705 A 112 PHE H A 111 ALA HB% 1.0 . 3.55 809 706 A 114 ASN HBx A 111 ALA HB% 1.0 . 4.51 810 707 A 112 PHE HBy A 111 ALA HB% 1.0 . 4.58 811 708 A 111 ALA HB% A 112 PHE HBx 1.0 . 4.29 812 709 A 96 CYS HA A 95 ALA HB% 1.0 . 5.06 813 710 A 96 CYS H A 95 ALA HB% 1.0 . 3.29 814 711 A 95 ALA H A 95 ALA HB% 1.0 . 2.89 815 712 A 92 THR HA A 95 ALA HB% 1.0 . 3.46 816 713 A 89 VAL H A 88 ALA HB% 1.0 . 3.45 817 714 A 88 ALA HB% A 85 SER HA 1.0 . 4.30 818 715 A 88 ALA HB% A 91 ASN HBy 1.0 . 4.62 819 716 A 34 ALA HB% A 34 ALA H 1.0 . 3.07 820 717 A 44 ALA HB% A 44 ALA H 1.0 . 3.03 821 718 A 23 VAL HGx% A 44 ALA HB% 1.0 . 3.41 822 719 A 44 ALA HB% A 45 ASP H 1.0 . 3.49 823 720 A 72 ALA HB% A 123 LEU HDy% 1.0 . 3.67 824 721 A 72 ALA H A 72 ALA HB% 1.0 . 3.13 825 722 A 72 ALA HB% A 73 GLU H 1.0 . 3.65 826 723 A 123 LEU HDx% A 72 ALA HB% 1.0 . 3.78 827 724 A 65 ALA H A 65 ALA HB% 1.0 . 3.15 828 725 A 69 ALA HB% A 66 MET HA 1.0 . 2.78 829 726 A 69 ALA HB% A 69 ALA H 1.0 . 3.09 830 727 A 69 ALA HB% A 70 MET H 1.0 . 3.32 831 728 A 66 MET H A 65 ALA HB% 1.0 . 3.82 832 729 A 69 ALA HB% A 50 GLN HE2x 1.0 . 4.15 833 729 A 69 ALA HB% A 50 GLN HE2y 1.0 . 4.15 834 730 A 14 ALA HB% A 13 ASN HBx 1.0 . 5.10 835 731 A 24 GLN HGx A 25 CYS HA 1.0 . 4.40 836 732 A 99 GLU HA A 103 GLN H 1.0 . 4.49 837 733 A 99 GLU HA A 99 GLU HBy 1.0 . 2.87 838 734 A 50 GLN HA A 66 MET HE% 1.0 . 4.55 839 735 A 50 GLN HA A 50 GLN HGy 1.0 . 3.76 840 736 A 22 LEU HA A 25 CYS HBx 1.0 . 4.58 841 737 A 16 MET H A 51 MET HE% 1.0 . 3.72 842 738 A 52 GLN H A 51 MET HE% 1.0 . 4.27 843 739 A 51 MET HE% A 52 GLN HE2x 1.0 . 4.79 844 740 A 9 TRP HZ3 A 51 MET HE% 1.0 . 4.29 845 741 A 51 MET HE% A 48 ASN HA 1.0 . 3.23 846 742 A 12 PRO HA A 51 MET HE% 1.0 . 3.38 847 743 A 52 GLN HA A 51 MET HE% 1.0 . 4.58 848 744 A 51 MET HE% A 51 MET HGy 1.0 . 3.41 849 745 A 16 MET HGy A 51 MET HE% 1.0 . 3.08 850 746 A 52 GLN HGy A 51 MET HE% 1.0 . 3.55 851 747 A 16 MET HGx A 51 MET HE% 1.0 . 3.17 852 748 A 16 MET HBy A 51 MET HE% 1.0 . 2.46 853 749 A 16 MET HE% A 51 MET HE% 1.0 . 3.21 854 750 A 15 ALA HB% A 51 MET HE% 1.0 . 3.38 855 751 A 51 MET HE% A 47 VAL HGx% 1.0 . 3.94 856 752 A 38 ASP HBy A 42 MET HE% 1.0 . 4.73 857 753 A 39 ASP H A 42 MET HE% 1.0 . 4.81 858 754 A 69 ALA HB% A 50 GLN HBx 1.0 . 4.53 859 754 A 69 ALA HB% A 50 GLN HBy 1.0 . 4.53 860 755 A 25 CYS H A 26 ALA HB% 1.0 . 4.59 861 756 A 26 ALA H A 26 ALA HB% 1.0 . 3.02 862 757 A 26 ALA HB% A 93 ILE HA 1.0 . 5.09 863 758 A 26 ALA HB% A 23 VAL HA 1.0 . 4.20 864 759 A 40 MET HGx A 26 ALA HB% 1.0 . 4.84 865 760 A 32 LEU HDx% A 26 ALA HB% 1.0 . 3.65 866 761 A 127 SER HA A 127 SER HBx 1.0 . 2.95 867 761 A 127 SER HBy A 127 SER HA 1.0 . 2.95 868 762 A 61 HIS HA A 64 ARG HDx 1.0 . 3.86 869 762 A 64 ARG HDy A 61 HIS HA 1.0 . 3.86 870 763 A 118 GLN HA A 122 MET H 1.0 . 4.34 871 764 A 8 ILE HD1% A 101 MET HA 1.0 . 4.68 872 765 A 50 GLN HA A 53 LYS HDx 1.0 . 4.40 873 765 A 53 LYS HDy A 50 GLN HA 1.0 . 4.40 874 766 A 53 LYS H A 50 GLN HA 1.0 . 4.00 875 767 A 50 GLN HGx A 50 GLN HA 1.0 . 3.22 876 768 A 22 LEU HA A 96 CYS HBx 1.0 . 4.16 877 769 A 42 MET H A 42 MET HE% 1.0 . 4.45 878 770 A 39 ASP HA A 42 MET HE% 1.0 . 3.90 879 771 A 42 MET HGy A 42 MET HE% 1.0 . 3.35 880 772 A 42 MET HGx A 42 MET HE% 1.0 . 3.94 881 773 A 39 ASP HBx A 42 MET HE% 1.0 . 4.36 882 774 A 42 MET HE% A 42 MET HBy 1.0 . 2.40 883 775 A 123 LEU H A 122 MET HE% 1.0 . 4.38 884 776 A 122 MET HE% A 119 LEU HA 1.0 . 3.37 885 777 A 122 MET HE% A 122 MET HGy 1.0 . 3.53 886 778 A 122 MET HE% A 118 GLN HGx 1.0 . 3.66 887 778 A 118 GLN HGy A 122 MET HE% 1.0 . 3.66 888 779 A 54 MET HE% A 51 MET H 1.0 . 4.68 889 780 A 9 TRP HE3 A 54 MET HE% 1.0 . 3.75 890 781 A 54 MET HE% A 9 TRP HD1 1.0 . 4.70 891 782 A 51 MET HA A 54 MET HE% 1.0 . 3.33 892 783 A 54 MET HE% A 63 LEU HA 1.0 . 3.51 893 784 A 54 MET HE% A 9 TRP HBy 1.0 . 3.53 894 785 A 54 MET HE% A 51 MET HGy 1.0 . 3.97 895 786 A 54 MET HE% A 9 TRP HBx 1.0 . 3.57 896 787 A 54 MET HGx A 54 MET HE% 1.0 . 3.43 897 788 A 54 MET HBy A 54 MET HE% 1.0 . 2.96 898 789 A 54 MET HE% A 66 MET HGy 1.0 . 3.12 899 790 A 54 MET HE% A 66 MET HGx 1.0 . 3.81 900 791 A 63 LEU HDx% A 54 MET HE% 1.0 . 3.08 901 792 A 40 MET HE% A 37 MET HA 1.0 . 4.58 902 793 A 18 MET HE% A 19 THR HG1 1.0 . 4.15 903 794 A 15 ALA HA A 18 MET HE% 1.0 . 3.74 904 795 A 8 ILE HD1% A 18 MET HE% 1.0 . 3.77 905 796 A 18 MET HE% A 8 ILE HG2% 1.0 . 3.81 906 797 A 66 MET HE% A 51 MET H 1.0 . 3.97 907 798 A 9 TRP HE3 A 66 MET HE% 1.0 . 4.30 908 799 A 66 MET HE% A 9 TRP HH2 1.0 . 4.62 909 800 A 66 MET HE% A 50 GLN HE2x 1.0 . 4.41 910 800 A 50 GLN HE2y A 66 MET HE% 1.0 . 4.41 911 801 A 66 MET HE% A 47 VAL HA 1.0 . 3.72 912 802 A 66 MET HE% A 51 MET HGy 1.0 . 4.60 913 803 A 51 MET HGx A 66 MET HE% 1.0 . 4.34 914 804 A 66 MET HE% A 50 GLN HGy 1.0 . 4.99 915 805 A 66 MET HE% A 51 MET HBx 1.0 . 3.61 916 805 A 51 MET HBy A 66 MET HE% 1.0 . 3.61 917 806 A 50 GLN HGx A 66 MET HE% 1.0 . 4.31 918 807 A 66 MET HE% A 50 GLN HBx 1.0 . 3.39 919 807 A 66 MET HE% A 50 GLN HBy 1.0 . 3.39 920 808 A 66 MET HE% A 66 MET HBy 1.0 . 3.69 921 809 A 66 MET HE% A 47 VAL HGx% 1.0 . 3.18 922 810 A 122 MET HA A 122 MET HGy 1.0 . 4.03 923 811 A 39 ASP HBy A 36 GLN HA 1.0 . 4.26 924 812 A 97 LEU HA A 100 SER HG 1.0 . 4.06 925 813 A 52 GLN HA A 51 MET HGy 1.0 . 4.84 926 814 A 97 LEU HDy% A 97 LEU HA 1.0 . 3.46 927 815 A 24 GLN HA A 27 SER H 1.0 . 4.01 928 816 A 24 GLN HA A 24 GLN HBx 1.0 . 2.98 929 816 A 24 GLN HA A 24 GLN HBy 1.0 . 2.98 930 817 A 24 GLN HGx A 24 GLN HA 1.0 . 3.98 931 818 A 90 LEU HDy% A 90 LEU HA 1.0 . 3.83 932 819 A 93 ILE H A 90 LEU HA 1.0 . 4.04 933 820 A 122 MET HBy A 122 MET HE% 1.0 . 2.40 934 821 A 119 LEU H A 122 MET HE% 1.0 . 4.63 935 822 A 122 MET HGx A 122 MET HE% 1.0 . 3.32 936 823 A 119 LEU HG A 122 MET HE% 1.0 . 3.22 937 824 A 123 LEU HDx% A 122 MET HE% 1.0 . 3.87 938 825 A 108 VAL H A 102 MET HE% 1.0 . 3.72 939 826 A 102 MET HE% A 103 GLN HE2x 1.0 . 5.23 940 827 A 107 SER HA A 102 MET HE% 1.0 . 3.61 941 828 A 102 MET HA A 102 MET HE% 1.0 . 3.89 942 829 A 102 MET HE% A 107 SER HBx 1.0 . 4.35 943 829 A 107 SER HBy A 102 MET HE% 1.0 . 4.35 944 830 A 102 MET HGy A 102 MET HE% 1.0 . 3.46 945 831 A 102 MET HGx A 102 MET HE% 1.0 . 3.40 946 832 A 102 MET HE% A 102 MET HBy 1.0 . 3.20 947 833 A 108 VAL HGx% A 102 MET HE% 1.0 . 3.38 948 834 A 40 MET H A 40 MET HE% 1.0 . 4.85 949 835 A 26 ALA H A 40 MET HE% 1.0 . 3.88 950 836 A 23 VAL H A 40 MET HE% 1.0 . 4.31 951 837 A 40 MET HE% A 40 MET HA 1.0 . 4.23 952 838 A 40 MET HE% A 23 VAL HA 1.0 . 3.38 953 839 A 40 MET HGy A 40 MET HE% 1.0 . 3.78 954 840 A 40 MET HGx A 40 MET HE% 1.0 . 3.08 955 841 A 40 MET HE% A 26 ALA HB% 1.0 . 2.85 956 842 A 23 VAL HGx% A 40 MET HE% 1.0 . 3.35 957 843 A 40 MET HE% A 22 LEU HDx% 1.0 . 2.82 958 843 A 22 LEU HDy% A 40 MET HE% 1.0 . 2.82 959 844 A 18 MET HE% A 8 ILE HG1x 1.0 . 3.42 960 845 A 18 MET HE% A 19 THR H 1.0 . 3.89 961 846 A 19 THR HA A 18 MET HE% 1.0 . 4.56 962 847 A 18 MET HE% A 18 MET HGx 1.0 . 3.18 963 847 A 18 MET HE% A 18 MET HGy 1.0 . 3.18 964 848 A 18 MET HE% A 70 MET HE% 1.0 . 3.07 965 849 A 18 MET HE% A 9 TRP HH2 1.0 . 3.63 966 850 A 90 LEU HA A 93 ILE HG2% 1.0 . 4.47 967 851 A 97 LEU H A 93 ILE HG2% 1.0 . 5.10 968 852 A 93 ILE H A 93 ILE HG2% 1.0 . 4.17 969 853 A 93 ILE HG2% A 94 GLY H 1.0 . 4.09 970 854 A 94 GLY HAy A 93 ILE HG2% 1.0 . 4.84 971 855 A 94 GLY HAx A 93 ILE HG2% 1.0 . 4.74 972 856 A 93 ILE HA A 93 ILE HG2% 1.0 . 3.63 973 857 A 93 ILE HG1y A 93 ILE HG2% 1.0 . 4.01 974 858 A 93 ILE HG1x A 93 ILE HG2% 1.0 . 3.72 975 859 A 124 SER HA A 79 ALA HB% 1.0 . 3.83 976 860 A 43 MET HA A 47 VAL HGy% 1.0 . 4.99 977 861 A 43 MET HA A 43 MET HE% 1.0 . 5.13 978 862 A 43 MET HGx A 43 MET HA 1.0 . 4.16 979 863 A 51 MET HA A 54 MET H 1.0 . 4.51 980 864 A 39 ASP H A 36 GLN HA 1.0 . 3.88 981 865 A 97 LEU HA A 100 SER H 1.0 . 4.25 982 866 A 52 GLN HA A 52 GLN HGx 1.0 . 3.56 983 867 A 90 LEU HA A 93 ILE HB 1.0 . 3.84 984 868 A 16 MET HE% A 20 ASN H 1.0 . 4.55 985 869 A 16 MET HE% A 48 ASN HD2x 1.0 . 3.99 986 870 A 16 MET HE% A 20 ASN HD2y 1.0 . 3.83 987 871 A 16 MET HE% A 19 THR HG1 1.0 . 4.61 988 872 A 16 MET HE% A 16 MET HA 1.0 . 3.18 989 873 A 16 MET HE% A 19 THR HB 1.0 . 3.88 990 874 A 16 MET HE% A 44 ALA HA 1.0 . 4.62 991 875 A 16 MET HE% A 16 MET HGy 1.0 . 3.25 992 876 A 16 MET HE% A 16 MET HGx 1.0 . 3.56 993 877 A 16 MET HE% A 47 VAL HB 1.0 . 2.40 994 878 A 123 LEU HG A 122 MET HE% 1.0 . 3.50 995 879 A 16 MET HE% A 47 VAL HGx% 1.0 . 4.17 996 880 A 16 MET HE% A 48 ASN H 1.0 . 4.00 997 881 A 48 ASN HBy A 16 MET HE% 1.0 . 4.26 998 882 A 44 ALA HB% A 16 MET HE% 1.0 . 4.01 999 883 A 74 VAL H A 43 MET HE% 1.0 . 5.01 1000 884 A 43 MET H A 43 MET HE% 1.0 . 3.93 1001 885 A 23 VAL H A 43 MET HE% 1.0 . 4.78 1002 886 A 40 MET HA A 43 MET HE% 1.0 . 3.41 1003 887 A 44 ALA HA A 43 MET HE% 1.0 . 4.21 1004 888 A 19 THR HA A 43 MET HE% 1.0 . 4.86 1005 889 A 74 VAL HA A 43 MET HE% 1.0 . 4.62 1006 890 A 43 MET HGx A 43 MET HE% 1.0 . 3.56 1007 891 A 22 LEU HBy A 43 MET HE% 1.0 . 4.10 1008 892 A 40 MET HE% A 43 MET HE% 1.0 . 3.13 1009 893 A 44 ALA HB% A 43 MET HE% 1.0 . 3.79 1010 894 A 19 THR HG2% A 43 MET HE% 1.0 . 3.79 1011 895 A 23 VAL HGx% A 43 MET HE% 1.0 . 3.29 1012 896 A 74 VAL HGx% A 43 MET HE% 1.0 . 3.09 1013 897 A 43 MET HE% A 22 LEU HDx% 1.0 . 3.10 1014 897 A 22 LEU HDy% A 43 MET HE% 1.0 . 3.10 1015 898 A 85 SER HA A 85 SER HBx 1.0 . 2.57 1016 898 A 85 SER HBy A 85 SER HA 1.0 . 2.57 1017 899 A 36 GLN HE2x A 81 SER HA 1.0 . 3.88 1018 900 A 16 MET HA A 19 THR HG1 1.0 . 3.89 1019 901 A 5 SER HA A 5 SER HBx 1.0 . 2.75 1020 901 A 5 SER HA A 5 SER HBy 1.0 . 2.75 1021 902 A 16 MET HA A 15 ALA HB% 1.0 . 4.80 1022 903 A 42 MET HA A 45 ASP HBx 1.0 . 3.22 1023 903 A 45 ASP HBy A 42 MET HA 1.0 . 3.22 1024 904 A 42 MET HA A 42 MET HGx 1.0 . 3.71 1025 905 A 54 MET HA A 54 MET HGy 1.0 . 3.97 1026 906 A 52 GLN HA A 52 GLN HBx 1.0 . 2.98 1027 906 A 52 GLN HA A 52 GLN HBy 1.0 . 2.98 1028 907 A 103 GLN HA A 103 GLN HGx 1.0 . 3.54 1029 908 A 16 MET HA A 19 THR H 1.0 . 3.40 1030 909 A 7 PRO HDy A 5 SER HA 1.0 . 4.27 1031 910 A 84 GLN HA A 84 GLN HBx 1.0 . 2.83 1032 910 A 84 GLN HBy A 84 GLN HA 1.0 . 2.83 1033 911 A 28 ARG HA A 28 ARG HGx 1.0 . 3.49 1034 911 A 28 ARG HA A 28 ARG HGy 1.0 . 3.49 1035 912 A 122 MET H A 119 LEU HA 1.0 . 4.11 1036 913 A 122 MET HBy A 119 LEU HA 1.0 . 3.91 1037 914 A 123 LEU HDx% A 119 LEU HA 1.0 . 4.08 1038 915 A 66 MET HGy A 63 LEU HA 1.0 . 4.65 1039 916 A 38 ASP HA A 38 ASP HBx 1.0 . 2.92 1040 917 A 39 ASP HA A 38 ASP HBy 1.0 . 4.31 1041 918 A 40 MET HGy A 37 MET HA 1.0 . 4.05 1042 919 A 40 MET H A 37 MET HA 1.0 . 3.78 1043 920 A 37 MET H A 37 MET HE% 1.0 . 4.08 1044 921 A 34 ALA HA A 37 MET HE% 1.0 . 2.92 1045 922 A 37 MET HE% A 37 MET HBy 1.0 . 3.20 1046 923 A 34 ALA HB% A 37 MET HE% 1.0 . 4.36 1047 924 A 32 LEU HDy% A 37 MET HE% 1.0 . 4.93 1048 925 A 41 GLY HAy A 38 ASP HA 1.0 . 4.28 1049 926 A 48 ASN HD2x A 45 ASP HA 1.0 . 4.03 1050 927 A 45 ASP HA A 45 ASP HBx 1.0 . 2.81 1051 927 A 45 ASP HBy A 45 ASP HA 1.0 . 2.81 1052 928 A 43 MET H A 40 MET HA 1.0 . 4.00 1053 929 A 62 ARG HA A 62 ARG HGx 1.0 . 3.38 1054 930 A 65 ALA H A 62 ARG HA 1.0 . 4.19 1055 931 A 33 THR HA A 37 MET HE% 1.0 . 4.49 1056 932 A 37 MET HGy A 37 MET HE% 1.0 . 3.59 1057 933 A 37 MET HE% A 32 LEU HBx 1.0 . 4.34 1058 933 A 32 LEU HBy A 37 MET HE% 1.0 . 4.34 1059 934 A 38 ASP HBy A 35 ASP HA 1.0 . 3.76 1060 935 A 53 LYS HA A 53 LYS HDx 1.0 . 4.11 1061 935 A 53 LYS HDy A 53 LYS HA 1.0 . 4.11 1062 936 A 90 LEU HA A 117 MET HE% 1.0 . 4.46 1063 937 A 117 MET HE% A 97 LEU HDx% 1.0 . 5.42 1064 938 A 117 MET HE% A 120 VAL H 1.0 . 5.08 1065 939 A 117 MET HE% A 94 GLY H 1.0 . 3.37 1066 940 A 117 MET H A 117 MET HE% 1.0 . 4.29 1067 941 A 121 LYS H A 117 MET HE% 1.0 . 4.85 1068 942 A 117 MET HE% A 117 MET HA 1.0 . 3.56 1069 943 A 94 GLY HAy A 117 MET HE% 1.0 . 3.65 1070 944 A 117 MET HE% A 94 GLY HAx 1.0 . 3.67 1071 945 A 117 MET HE% A 121 LYS HEx 1.0 . 4.66 1072 945 A 121 LYS HEy A 117 MET HE% 1.0 . 4.66 1073 946 A 117 MET HGy A 117 MET HE% 1.0 . 3.58 1074 947 A 117 MET HE% A 117 MET HGx 1.0 . 3.94 1075 948 A 117 MET HE% A 120 VAL HB 1.0 . 3.36 1076 949 A 117 MET HE% A 93 ILE HB 1.0 . 3.37 1077 950 A 121 LYS HGx A 117 MET HE% 1.0 . 4.79 1078 951 A 120 VAL HGy% A 117 MET HE% 1.0 . 4.26 1079 952 A 117 MET HE% A 93 ILE HG2% 1.0 . 3.17 1080 953 A 90 LEU HDx% A 117 MET HE% 1.0 . 3.26 1081 954 A 9 TRP H A 8 ILE HG2% 1.0 . 4.19 1082 955 A 106 GLY HAx A 8 ILE HG2% 1.0 . 4.81 1083 956 A 20 ASN HBx A 20 ASN HA 1.0 . 2.88 1084 957 A 16 MET HE% A 48 ASN HA 1.0 . 3.67 1085 958 A 48 ASN HA A 47 VAL HGx% 1.0 . 4.20 1086 959 A 53 LYS HA A 53 LYS HGx 1.0 . 3.64 1087 960 A 117 MET HE% A 93 ILE HA 1.0 . 4.70 1088 961 A 8 ILE HD1% A 18 MET H 1.0 . 4.39 1089 962 A 106 GLY HAx A 8 ILE HD1% 1.0 . 3.59 1090 963 A 8 ILE HD1% A 101 MET HGy 1.0 . 4.94 1091 964 A 8 ILE HD1% A 106 GLY H 1.0 . 5.07 1092 965 A 8 ILE HD1% A 15 ALA HA 1.0 . 3.72 1093 966 A 8 ILE HD1% A 18 MET HGx 1.0 . 4.39 1094 966 A 8 ILE HD1% A 18 MET HGy 1.0 . 4.39 1095 967 A 8 ILE HD1% A 104 ALA HB% 1.0 . 3.93 1096 968 A 8 ILE HD1% A 14 ALA HB% 1.0 . 3.60 1097 969 A 8 ILE HB A 8 ILE HD1% 1.0 . 3.48 1098 970 A 8 ILE HD1% A 105 THR HG2% 1.0 . 3.40 1099 971 A 8 ILE HD1% A 8 ILE HG2% 1.0 . 3.71 1100 972 A 117 MET HA A 117 MET HGx 1.0 . 4.18 1101 973 A 114 ASN HA A 114 ASN HD2y 1.0 . 4.29 1102 974 A 21 ASN HA A 24 GLN HBx 1.0 . 3.40 1103 974 A 21 ASN HA A 24 GLN HBy 1.0 . 3.40 1104 975 A 123 LEU HDx% A 123 LEU HA 1.0 . 4.42 1105 976 A 69 ALA H A 66 MET HA 1.0 . 3.86 1106 977 A 117 MET HGy A 117 MET HA 1.0 . 3.76 1107 978 A 117 MET HA A 121 LYS HDx 1.0 . 3.83 1108 978 A 121 LYS HDy A 117 MET HA 1.0 . 3.83 1109 979 A 120 VAL H A 117 MET HA 1.0 . 3.92 1110 980 A 117 MET HA A 93 ILE HG2% 1.0 . 4.73 1111 981 A 95 ALA H A 91 ASN HA 1.0 . 4.40 1112 982 A 114 ASN HA A 117 MET HBy 1.0 . 4.04 1113 983 A 114 ASN HA A 117 MET HBx 1.0 . 4.03 1114 984 A 10 THR H A 9 TRP HA 1.0 . 3.36 1115 985 A 15 ALA HB% A 9 TRP HA 1.0 . 4.08 1116 986 A 34 ALA HA A 37 MET H 1.0 . 4.15 1117 987 A 34 ALA HA A 33 THR HA 1.0 . 4.31 1118 988 A 47 VAL HB A 44 ALA HA 1.0 . 3.85 1119 989 A 44 ALA HA A 47 VAL HGy% 1.0 . 4.30 1120 990 A 15 ALA HA A 18 MET HGx 1.0 . 4.15 1121 990 A 15 ALA HA A 18 MET HGy 1.0 . 4.15 1122 991 A 32 LEU HG A 32 LEU HA 1.0 . 3.62 1123 992 A 32 LEU HDy% A 32 LEU HA 1.0 . 3.61 1124 993 A 114 ASN HBx A 111 ALA HA 1.0 . 4.11 1125 994 A 88 ALA HA A 31 VAL HGx% 1.0 . 4.94 1126 995 A 72 ALA HA A 123 LEU HDy% 1.0 . 4.23 1127 996 A 75 ALA HA A 120 VAL HGx% 1.0 . 3.85 1128 997 A 48 ASN H A 44 ALA HA 1.0 . 4.61 1129 998 A 71 ALA HA A 74 VAL H 1.0 . 4.61 1130 999 A 15 ALA HA A 104 ALA HB% 1.0 . 4.99 1131 1000 A 88 ALA HA A 91 ASN HBy 1.0 . 3.55 1132 1001 A 88 ALA HA A 31 VAL HGy% 1.0 . 4.37 1133 1002 A 88 ALA HA A 87 SER HBx 1.0 . 4.62 1134 1002 A 88 ALA HA A 87 SER HBy 1.0 . 4.62 1135 1003 A 98 ARG H A 95 ALA HA 1.0 . 4.00 1136 1004 A 29 SER HG A 26 ALA HA 1.0 . 4.64 1137 1005 A 78 VAL HB A 79 ALA HA 1.0 . 4.29 1138 1006 A 65 ALA HA A 67 ASN HD2x 1.0 . 4.42 1139 1007 A 105 THR HG2% A 104 ALA HA 1.0 . 4.53 1140 1008 A 6 GLN HA A 6 GLN H 1.0 . 2.84 1141 1009 A 6 GLN HA A 6 GLN HGx 1.0 . 2.97 1142 1009 A 6 GLN HA A 6 GLN HGy 1.0 . 2.97 1143 1010 A 6 GLN HA A 7 PRO HDx 1.0 . 3.18 1144 1011 A 128 ALA HA A 127 SER HBx 1.0 . 4.14 1145 1011 A 127 SER HBy A 128 ALA HA 1.0 . 4.14 1146 1012 A 93 ILE H A 93 ILE HD1% 1.0 . 3.88 1147 1013 A 93 ILE HD1% A 94 GLY H 1.0 . 4.58 1148 1014 A 93 ILE HA A 93 ILE HD1% 1.0 . 3.33 1149 1015 A 93 ILE HD1% A 93 ILE HB 1.0 . 3.72 1150 1016 A 26 ALA HB% A 93 ILE HD1% 1.0 . 3.63 1151 1017 A 32 LEU HDx% A 93 ILE HD1% 1.0 . 2.94 1152 1018 A 59 PRO HGy A 61 HIS HE1 1.0 . 4.15 1153 1019 A 62 ARG HGx A 61 HIS HE1 1.0 . 4.68 1154 1020 A 87 SER H A 86 TYR HD% 1.0 . 3.27 1155 1021 A 128 ALA HB% A 86 TYR HD% 1.0 . 4.64 1156 1022 A 86 TYR HD% A 88 ALA H 1.0 . 5.06 1157 1023 A 101 MET HGy A 112 PHE HD% 1.0 . 4.60 1158 1024 A 116 VAL HGx% A 112 PHE HD% 1.0 . 3.87 1159 1025 A 112 PHE HD% A 112 PHE H 1.0 . 4.48 1160 1026 A 18 MET HE% A 112 PHE HD% 1.0 . 4.73 1161 1027 A 113 THR HG2% A 112 PHE HD% 1.0 . 3.56 1162 1028 A 112 PHE HE% A 9 TRP HE1 1.0 . 4.18 1163 1029 A 97 LEU HDx% A 112 PHE HE% 1.0 . 3.98 1164 1030 A 116 VAL HGx% A 112 PHE HE% 1.0 . 4.02 1165 1031 A 112 PHE HE% A 8 ILE HG2% 1.0 . 4.49 1166 1032 A 18 MET HE% A 112 PHE HE% 1.0 . 3.98 1167 1033 A 97 LEU HDy% A 112 PHE HE% 1.0 . 3.80 1168 1034 A 70 MET HE% A 112 PHE HZ 1.0 . 3.95 1169 1035 A 18 MET HE% A 112 PHE HZ 1.0 . 3.68 1170 1036 A 116 VAL HGx% A 112 PHE HZ 1.0 . 3.97 1171 1037 A 97 LEU HDx% A 112 PHE HZ 1.0 . 4.35 1172 1038 A 9 TRP HD1 A 9 TRP H 1.0 . 3.88 1173 1039 A 9 TRP HD1 A 8 ILE HG2% 1.0 . 4.16 1174 1040 A 19 THR HG2% A 9 TRP HH2 1.0 . 4.56 1175 1041 A 70 MET HE% A 9 TRP HH2 1.0 . 4.26 1176 1042 A 9 TRP HH2 A 47 VAL HGx% 1.0 . 3.37 1177 1043 A 9 TRP HZ3 A 15 ALA HB% 1.0 . 4.01 1178 1044 A 9 TRP HZ3 A 47 VAL HGx% 1.0 . 3.71 1179 1045 A 9 TRP HE3 A 51 MET HBx 1.0 . 4.16 1180 1045 A 9 TRP HE3 A 51 MET HBy 1.0 . 4.16 1181 1046 A 9 TRP HE3 A 15 ALA HB% 1.0 . 3.76 1182 1047 A 61 HIS HD2 A 62 ARG HBy 1.0 . 4.72 1183 1048 A 62 ARG HGy A 61 HIS HD2 1.0 . 4.49 1184 1049 A 62 ARG HGx A 61 HIS HD2 1.0 . 4.01 1185 1050 A 86 TYR HE% A 125 ALA HB% 1.0 . 4.31 1186 1051 A 90 LEU HG A 86 TYR HE% 1.0 . 4.21 1187 1052 A 90 LEU HDy% A 86 TYR HE% 1.0 . 2.99 1188 1053 A 86 TYR HE% A 78 VAL HGx% 1.0 . 2.73 1189 1054 A 86 TYR HE% A 81 SER HBx 1.0 . 4.35 1190 1054 A 86 TYR HE% A 81 SER HBy 1.0 . 4.35 1191 1055 A 90 LEU HBy A 86 TYR HE% 1.0 . 4.03 1192 1056 A 18 MET HE% A 9 TRP HZ2 1.0 . 4.28 1193 1057 A 70 MET HE% A 9 TRP HZ2 1.0 . 4.32 1194 1058 A 66 MET HE% A 9 TRP HZ2 1.0 . 4.60 1195 1059 A 7 PRO HGx A 9 TRP HE1 1.0 . 5.19 1196 1060 A 63 LEU HDx% A 9 TRP HE1 1.0 . 5.50 1197 1061 A 67 ASN HA A 9 TRP HE1 1.0 . 4.73 1198 1062 A 8 ILE HG2% A 9 TRP HE1 1.0 . 5.50 1199 1063 A 67 ASN HBy A 9 TRP HE1 1.0 . 5.21 1200 1064 A 97 LEU H A 93 ILE HA 1.0 . 4.84 1201 1065 A 97 LEU H A 95 ALA HB% 1.0 . 4.92 1202 1066 A 97 LEU H A 94 GLY HAx 1.0 . 5.50 1203 1067 A 97 LEU HBx A 97 LEU H 1.0 . 3.47 1204 1068 A 97 LEU H A 22 LEU HDx% 1.0 . 3.91 1205 1068 A 22 LEU HDy% A 97 LEU H 1.0 . 3.91 1206 1069 A 97 LEU H A 96 CYS HBy 1.0 . 4.24 1207 1070 A 97 LEU HBy A 97 LEU H 1.0 . 3.65 1208 1071 A 22 LEU HBx A 22 LEU H 1.0 . 3.62 1209 1072 A 19 THR HA A 22 LEU H 1.0 . 4.18 1210 1073 A 21 ASN HBy A 22 LEU H 1.0 . 4.21 1211 1074 A 21 ASN HBx A 22 LEU H 1.0 . 4.37 1212 1075 A 22 LEU HBy A 22 LEU H 1.0 . 3.53 1213 1076 A 89 VAL HB A 88 ALA H 1.0 . 4.59 1214 1077 A 88 ALA H A 85 SER HA 1.0 . 4.78 1215 1078 A 88 ALA H A 31 VAL HGx% 1.0 . 5.11 1216 1079 A 109 ASP H A 108 VAL H 1.0 . 4.00 1217 1080 A 109 ASP H A 108 VAL HA 1.0 . 2.85 1218 1081 A 109 ASP H A 109 ASP HBy 1.0 . 3.52 1219 1082 A 109 ASP HBx A 109 ASP H 1.0 . 3.61 1220 1083 A 113 THR HG2% A 109 ASP H 1.0 . 4.97 1221 1084 A 123 LEU H A 125 ALA H 1.0 . 4.58 1222 1085 A 125 ALA H A 124 SER H 1.0 . 3.08 1223 1086 A 86 TYR HE% A 125 ALA H 1.0 . 4.97 1224 1087 A 124 SER HBx A 125 ALA H 1.0 . 4.43 1225 1088 A 125 ALA H A 125 ALA HB% 1.0 . 2.98 1226 1089 A 87 SER H A 88 ALA H 1.0 . 3.05 1227 1090 A 89 VAL H A 88 ALA H 1.0 . 3.09 1228 1091 A 90 LEU H A 88 ALA H 1.0 . 4.71 1229 1092 A 88 ALA H A 88 ALA HB% 1.0 . 2.87 1230 1093 A 88 ALA H A 86 TYR HBx 1.0 . 4.78 1231 1094 A 9 TRP HD1 A 8 ILE H 1.0 . 5.22 1232 1095 A 9 TRP H A 8 ILE H 1.0 . 4.45 1233 1096 A 8 ILE HB A 8 ILE H 1.0 . 3.80 1234 1097 A 8 ILE HG2% A 8 ILE H 1.0 . 4.28 1235 1098 A 68 THR HB A 69 ALA H 1.0 . 3.27 1236 1099 A 97 LEU H A 95 ALA H 1.0 . 4.24 1237 1100 A 95 ALA H A 96 CYS H 1.0 . 3.12 1238 1101 A 95 ALA H A 94 GLY H 1.0 . 3.49 1239 1102 A 98 ARG H A 95 ALA H 1.0 . 4.76 1240 1103 A 94 GLY HAy A 95 ALA H 1.0 . 3.44 1241 1104 A 95 ALA H A 94 GLY HAx 1.0 . 3.40 1242 1105 A 92 THR HG2% A 95 ALA H 1.0 . 4.87 1243 1106 A 67 ASN H A 69 ALA H 1.0 . 4.52 1244 1107 A 127 SER HA A 128 ALA H 1.0 . 3.31 1245 1108 A 128 ALA H A 127 SER HBx 1.0 . 3.74 1246 1108 A 127 SER HBy A 128 ALA H 1.0 . 3.74 1247 1109 A 125 ALA HB% A 128 ALA H 1.0 . 4.74 1248 1110 A 128 ALA HB% A 128 ALA H 1.0 . 3.07 1249 1111 A 128 ALA H A 126 ASP HA 1.0 . 4.81 1250 1112 A 14 ALA H A 11 ASN HBx 1.0 . 5.07 1251 1113 A 14 ALA H A 15 ALA H 1.0 . 3.07 1252 1114 A 14 ALA H A 11 ASN HBy 1.0 . 4.51 1253 1115 A 14 ALA H A 13 ASN HBy 1.0 . 3.46 1254 1115 A 14 ALA H A 13 ASN HBx 1.0 . 3.46 1255 1116 A 14 ALA H A 14 ALA HB% 1.0 . 3.09 1256 1117 A 13 ASN H A 14 ALA H 1.0 . 3.09 1257 1118 A 12 PRO HA A 14 ALA H 1.0 . 4.39 1258 1119 A 14 ALA H A 105 THR HG2% 1.0 . 5.23 1259 1120 A 14 ALA H A 11 ASN HD2y 1.0 . 4.07 1260 1121 A 38 ASP HBx A 38 ASP H 1.0 . 3.33 1261 1122 A 34 ALA HB% A 38 ASP H 1.0 . 5.50 1262 1123 A 37 MET H A 38 ASP H 1.0 . 3.28 1263 1124 A 35 ASP HA A 38 ASP H 1.0 . 3.76 1264 1125 A 38 ASP HBy A 38 ASP H 1.0 . 3.15 1265 1126 A 37 MET HBy A 38 ASP H 1.0 . 3.92 1266 1127 A 37 MET HBx A 38 ASP H 1.0 . 4.53 1267 1128 A 36 GLN H A 34 ALA H 1.0 . 4.94 1268 1129 A 34 ALA H A 33 THR HB 1.0 . 3.74 1269 1130 A 33 THR HA A 34 ALA H 1.0 . 3.03 1270 1131 A 33 THR HG2% A 34 ALA H 1.0 . 3.92 1271 1132 A 26 ALA H A 28 ARG H 1.0 . 4.56 1272 1133 A 26 ALA H A 24 GLN H 1.0 . 4.59 1273 1134 A 26 ALA H A 23 VAL HA 1.0 . 4.05 1274 1135 A 25 CYS HBy A 26 ALA H 1.0 . 3.51 1275 1136 A 26 ALA H A 22 LEU HDx% 1.0 . 4.46 1276 1136 A 22 LEU HDy% A 26 ALA H 1.0 . 4.46 1277 1137 A 111 ALA H A 112 PHE HBx 1.0 . 4.81 1278 1138 A 111 ALA H A 110 ASN HBx 1.0 . 4.10 1279 1138 A 111 ALA H A 110 ASN HBy 1.0 . 4.10 1280 1139 A 39 ASP HBy A 39 ASP H 1.0 . 3.42 1281 1140 A 39 ASP H A 38 ASP HBx 1.0 . 4.00 1282 1141 A 39 ASP HBx A 39 ASP H 1.0 . 3.69 1283 1142 A 36 GLN H A 39 ASP H 1.0 . 5.09 1284 1143 A 39 ASP H A 38 ASP HBy 1.0 . 3.49 1285 1144 A 43 MET H A 43 MET HBx 1.0 . 3.49 1286 1145 A 88 ALA H A 86 TYR H 1.0 . 4.34 1287 1146 A 87 SER H A 86 TYR H 1.0 . 3.55 1288 1147 A 85 SER H A 86 TYR H 1.0 . 2.86 1289 1148 A 86 TYR HD% A 86 TYR H 1.0 . 4.22 1290 1149 A 83 PRO HA A 86 TYR H 1.0 . 4.06 1291 1150 A 86 TYR HBy A 86 TYR H 1.0 . 3.22 1292 1151 A 86 TYR HBx A 86 TYR H 1.0 . 3.22 1293 1152 A 5 SER HA A 6 GLN H 1.0 . 3.16 1294 1153 A 6 GLN H A 5 SER HBx 1.0 . 4.03 1295 1153 A 5 SER HBy A 6 GLN H 1.0 . 4.03 1296 1154 A 6 GLN H A 6 GLN HGx 1.0 . 4.14 1297 1154 A 6 GLN HGy A 6 GLN H 1.0 . 4.14 1298 1155 A 6 GLN HBx A 6 GLN H 1.0 . 3.63 1299 1156 A 40 MET H A 39 ASP H 1.0 . 3.47 1300 1157 A 39 ASP H A 37 MET HBx 1.0 . 5.40 1301 1158 A 43 MET H A 42 MET H 1.0 . 3.56 1302 1159 A 43 MET H A 43 MET HBy 1.0 . 3.55 1303 1160 A 43 MET H A 42 MET HBy 1.0 . 4.25 1304 1161 A 43 MET H A 44 ALA HB% 1.0 . 5.40 1305 1162 A 47 VAL H A 46 SER HBx 1.0 . 4.22 1306 1163 A 47 VAL HB A 47 VAL H 1.0 . 3.59 1307 1164 A 47 VAL H A 46 SER HBy 1.0 . 3.75 1308 1165 A 47 VAL H A 44 ALA HA 1.0 . 4.83 1309 1166 A 44 ALA HB% A 47 VAL H 1.0 . 5.33 1310 1167 A 47 VAL H A 47 VAL HGy% 1.0 . 3.73 1311 1167 A 47 VAL H A 47 VAL HGx% 1.0 . 3.73 1312 1168 A 90 LEU H A 89 VAL H 1.0 . 3.48 1313 1169 A 87 SER HA A 89 VAL H 1.0 . 4.35 1314 1170 A 89 VAL HB A 89 VAL H 1.0 . 3.13 1315 1171 A 101 MET H A 100 SER HG 1.0 . 4.50 1316 1172 A 101 MET H A 101 MET HGy 1.0 . 4.24 1317 1173 A 101 MET H A 101 MET HBx 1.0 . 3.25 1318 1173 A 101 MET H A 101 MET HBy 1.0 . 3.25 1319 1174 A 101 MET H A 97 LEU HDx% 1.0 . 5.06 1320 1175 A 108 VAL HGx% A 101 MET H 1.0 . 5.50 1321 1176 A 75 ALA H A 120 VAL HGx% 1.0 . 5.44 1322 1177 A 71 ALA HA A 75 ALA H 1.0 . 4.72 1323 1178 A 75 ALA H A 76 GLU H 1.0 . 3.92 1324 1179 A 75 ALA H A 74 VAL HB 1.0 . 3.88 1325 1180 A 120 VAL HGy% A 75 ALA H 1.0 . 4.87 1326 1181 A 93 ILE H A 92 THR HB 1.0 . 3.77 1327 1182 A 93 ILE H A 93 ILE HB 1.0 . 3.30 1328 1183 A 93 ILE H A 26 ALA HB% 1.0 . 5.37 1329 1184 A 93 ILE H A 93 ILE HG1x 1.0 . 3.84 1330 1185 A 93 ILE H A 92 THR HG1 1.0 . 4.83 1331 1186 A 18 MET H A 17 THR HB 1.0 . 3.57 1332 1187 A 18 MET H A 15 ALA HA 1.0 . 4.65 1333 1188 A 18 MET H A 18 MET HGx 1.0 . 3.67 1334 1188 A 18 MET H A 18 MET HGy 1.0 . 3.67 1335 1189 A 18 MET H A 18 MET HBx 1.0 . 3.69 1336 1190 A 101 MET H A 104 ALA HB% 1.0 . 5.32 1337 1191 A 100 SER H A 102 MET H 1.0 . 5.05 1338 1192 A 101 MET H A 102 MET H 1.0 . 3.56 1339 1193 A 99 GLU HA A 102 MET H 1.0 . 3.76 1340 1194 A 102 MET H A 102 MET HBy 1.0 . 3.30 1341 1195 A 102 MET H A 103 GLN H 1.0 . 3.63 1342 1196 A 102 MET H A 101 MET HBx 1.0 . 3.42 1343 1196 A 101 MET HBy A 102 MET H 1.0 . 3.42 1344 1197 A 44 ALA H A 43 MET HE% 1.0 . 3.41 1345 1198 A 108 VAL HGy% A 102 MET H 1.0 . 4.82 1346 1199 A 44 ALA H A 45 ASP H 1.0 . 3.75 1347 1200 A 44 ALA H A 45 ASP HBx 1.0 . 4.62 1348 1200 A 45 ASP HBy A 44 ALA H 1.0 . 4.62 1349 1201 A 43 MET HBy A 44 ALA H 1.0 . 3.69 1350 1202 A 44 ALA H A 47 VAL HGy% 1.0 . 5.39 1351 1202 A 44 ALA H A 47 VAL HGx% 1.0 . 5.39 1352 1203 A 114 ASN HBx A 115 GLU H 1.0 . 3.84 1353 1204 A 119 LEU HDy% A 115 GLU H 1.0 . 5.41 1354 1205 A 115 GLU HGy A 115 GLU H 1.0 . 3.85 1355 1206 A 115 GLU H A 115 GLU HBy 1.0 . 3.16 1356 1207 A 115 GLU HBx A 115 GLU H 1.0 . 3.12 1357 1208 A 115 GLU H A 116 VAL HB 1.0 . 5.41 1358 1209 A 40 MET H A 42 MET H 1.0 . 4.61 1359 1210 A 23 VAL HGy% A 40 MET H 1.0 . 4.72 1360 1211 A 41 GLY HAy A 40 MET H 1.0 . 4.95 1361 1212 A 40 MET H A 40 MET HGy 1.0 . 4.01 1362 1213 A 40 MET H A 40 MET HBy 1.0 . 3.38 1363 1214 A 40 MET H A 40 MET HBx 1.0 . 3.86 1364 1215 A 40 MET H A 77 VAL HGy% 1.0 . 4.65 1365 1216 A 40 MET H A 41 GLY H 1.0 . 3.60 1366 1217 A 40 MET H A 37 MET HBx 1.0 . 5.19 1367 1218 A 130 GLU HA A 131 VAL H 1.0 . 2.69 1368 1219 A 131 VAL H A 131 VAL HB 1.0 . 3.38 1369 1220 A 131 VAL H A 131 VAL HGx% 1.0 . 3.68 1370 1220 A 131 VAL HGy% A 131 VAL H 1.0 . 3.68 1371 1221 A 133 THR H A 131 VAL HGx% 1.0 . 5.15 1372 1221 A 131 VAL HGy% A 133 THR H 1.0 . 5.15 1373 1222 A 111 ALA HA A 115 GLU H 1.0 . 4.99 1374 1223 A 23 VAL HGx% A 40 MET H 1.0 . 5.50 1375 1224 A 119 LEU HDy% A 118 GLN H 1.0 . 5.21 1376 1225 A 117 MET H A 118 GLN H 1.0 . 3.26 1377 1226 A 119 LEU H A 118 GLN H 1.0 . 3.29 1378 1227 A 118 GLN HBy A 118 GLN H 1.0 . 3.12 1379 1228 A 118 GLN HBx A 118 GLN H 1.0 . 3.29 1380 1229 A 114 ASN HA A 118 GLN H 1.0 . 4.62 1381 1230 A 129 ASN HBy A 130 GLU H 1.0 . 4.07 1382 1231 A 129 ASN HBx A 130 GLU H 1.0 . 4.22 1383 1232 A 130 GLU HBy A 130 GLU H 1.0 . 3.61 1384 1233 A 130 GLU HBx A 130 GLU H 1.0 . 3.23 1385 1234 A 130 GLU H A 129 ASN HA 1.0 . 3.44 1386 1235 A 130 GLU HGx A 130 GLU H 1.0 . 5.50 1387 1236 A 128 ALA HB% A 130 GLU H 1.0 . 5.29 1388 1237 A 50 GLN H A 50 GLN HE2x 1.0 . 4.80 1389 1237 A 50 GLN H A 50 GLN HE2y 1.0 . 4.80 1390 1238 A 50 GLN H A 49 SER HBx 1.0 . 3.45 1391 1239 A 50 GLN H A 50 GLN HGy 1.0 . 3.67 1392 1240 A 32 LEU H A 31 VAL H 1.0 . 2.98 1393 1241 A 32 LEU H A 30 GLY H 1.0 . 4.11 1394 1242 A 32 LEU H A 29 SER HG 1.0 . 4.96 1395 1243 A 31 VAL HB A 32 LEU H 1.0 . 3.99 1396 1244 A 32 LEU H A 32 LEU HBx 1.0 . 3.23 1397 1244 A 32 LEU HBy A 32 LEU H 1.0 . 3.23 1398 1245 A 133 THR H A 132 SER HA 1.0 . 3.36 1399 1246 A 131 VAL HA A 133 THR H 1.0 . 4.66 1400 1247 A 15 ALA HB% A 15 ALA H 1.0 . 3.39 1401 1248 A 8 ILE HG1x A 15 ALA H 1.0 . 4.97 1402 1249 A 8 ILE HD1% A 15 ALA H 1.0 . 4.83 1403 1250 A 12 PRO HA A 15 ALA H 1.0 . 4.47 1404 1251 A 17 THR HB A 15 ALA H 1.0 . 4.99 1405 1252 A 104 ALA HB% A 15 ALA H 1.0 . 5.06 1406 1253 A 50 GLN H A 47 VAL HA 1.0 . 4.04 1407 1254 A 122 MET H A 121 LYS H 1.0 . 3.75 1408 1255 A 121 LYS H A 120 VAL HB 1.0 . 3.50 1409 1256 A 50 GLN H A 50 GLN HBx 1.0 . 3.03 1410 1256 A 50 GLN H A 50 GLN HBy 1.0 . 3.03 1411 1257 A 50 GLN H A 66 MET HE% 1.0 . 5.16 1412 1258 A 120 VAL HGy% A 121 LYS H 1.0 . 4.99 1413 1259 A 39 ASP HA A 42 MET H 1.0 . 4.37 1414 1260 A 42 MET H A 42 MET HBy 1.0 . 3.45 1415 1261 A 42 MET HBx A 42 MET H 1.0 . 3.63 1416 1262 A 118 GLN HBx A 119 LEU H 1.0 . 3.45 1417 1263 A 123 LEU HDx% A 119 LEU H 1.0 . 5.12 1418 1264 A 119 LEU H A 118 GLN HGx 1.0 . 4.88 1419 1264 A 118 GLN HGy A 119 LEU H 1.0 . 4.88 1420 1265 A 119 LEU HBy A 119 LEU H 1.0 . 3.45 1421 1266 A 119 LEU H A 119 LEU HG 1.0 . 3.66 1422 1267 A 71 ALA HB% A 119 LEU H 1.0 . 4.63 1423 1268 A 119 LEU HBx A 119 LEU H 1.0 . 3.78 1424 1269 A 120 VAL HGy% A 119 LEU H 1.0 . 4.90 1425 1270 A 119 LEU HDy% A 119 LEU H 1.0 . 3.87 1426 1271 A 65 ALA H A 61 HIS HA 1.0 . 4.95 1427 1272 A 65 ALA H A 64 ARG HBy 1.0 . 3.69 1428 1273 A 79 ALA H A 78 VAL H 1.0 . 3.46 1429 1274 A 79 ALA H A 81 SER H 1.0 . 4.45 1430 1275 A 79 ALA H A 80 THR H 1.0 . 3.53 1431 1276 A 76 GLU HA A 79 ALA H 1.0 . 3.82 1432 1277 A 75 ALA HA A 79 ALA H 1.0 . 4.79 1433 1278 A 78 VAL HB A 79 ALA H 1.0 . 3.53 1434 1279 A 78 VAL HGx% A 79 ALA H 1.0 . 4.14 1435 1280 A 77 VAL H A 79 ALA H 1.0 . 4.37 1436 1281 A 132 SER H A 132 SER HBx 1.0 . 4.18 1437 1281 A 132 SER H A 132 SER HBy 1.0 . 4.18 1438 1282 A 90 LEU H A 90 LEU HG 1.0 . 4.35 1439 1283 A 90 LEU H A 87 SER HA 1.0 . 4.29 1440 1284 A 90 LEU H A 90 LEU HBx 1.0 . 3.24 1441 1285 A 90 LEU HDx% A 90 LEU H 1.0 . 4.37 1442 1286 A 65 ALA H A 63 LEU HA 1.0 . 4.77 1443 1287 A 22 LEU HA A 25 CYS H 1.0 . 4.49 1444 1288 A 25 CYS H A 26 ALA H 1.0 . 3.39 1445 1289 A 25 CYS H A 24 GLN H 1.0 . 3.45 1446 1290 A 25 CYS H A 21 ASN HA 1.0 . 4.73 1447 1291 A 25 CYS HBy A 25 CYS H 1.0 . 3.20 1448 1292 A 25 CYS H A 24 GLN HBx 1.0 . 3.57 1449 1292 A 25 CYS H A 24 GLN HBy 1.0 . 3.57 1450 1293 A 79 ALA H A 124 SER HA 1.0 . 4.82 1451 1294 A 131 VAL H A 132 SER H 1.0 . 4.37 1452 1295 A 131 VAL HA A 132 SER H 1.0 . 3.26 1453 1296 A 132 SER H A 131 VAL HGx% 1.0 . 4.92 1454 1296 A 131 VAL HGy% A 132 SER H 1.0 . 4.92 1455 1297 A 53 LYS H A 51 MET H 1.0 . 4.43 1456 1298 A 112 PHE H A 112 PHE HBx 1.0 . 3.56 1457 1299 A 112 PHE H A 111 ALA H 1.0 . 3.50 1458 1300 A 9 TRP H A 11 ASN H 1.0 . 5.50 1459 1301 A 9 TRP HA A 11 ASN H 1.0 . 4.02 1460 1302 A 10 THR HG2% A 11 ASN H 1.0 . 4.61 1461 1303 A 10 THR H A 11 ASN H 1.0 . 3.03 1462 1304 A 11 ASN H A 10 THR HG1 1.0 . 4.67 1463 1305 A 12 PRO HDx A 11 ASN H 1.0 . 4.85 1464 1306 A 11 ASN HBy A 11 ASN H 1.0 . 3.76 1465 1307 A 11 ASN HBx A 11 ASN H 1.0 . 3.55 1466 1308 A 12 PRO HDy A 11 ASN H 1.0 . 4.85 1467 1309 A 64 ARG H A 63 LEU H 1.0 . 3.43 1468 1310 A 63 LEU H A 63 LEU HBx 1.0 . 4.06 1469 1311 A 62 ARG H A 63 LEU H 1.0 . 3.11 1470 1312 A 63 LEU HBy A 63 LEU H 1.0 . 3.76 1471 1313 A 63 LEU HDx% A 63 LEU H 1.0 . 4.13 1472 1314 A 50 GLN H A 51 MET H 1.0 . 3.30 1473 1315 A 52 GLN H A 51 MET H 1.0 . 3.42 1474 1316 A 48 ASN HA A 51 MET H 1.0 . 4.37 1475 1317 A 51 MET H A 51 MET HBx 1.0 . 3.12 1476 1317 A 51 MET HBy A 51 MET H 1.0 . 3.12 1477 1318 A 51 MET H A 50 GLN HBx 1.0 . 3.67 1478 1318 A 50 GLN HBy A 51 MET H 1.0 . 3.67 1479 1319 A 113 THR H A 112 PHE H 1.0 . 3.58 1480 1320 A 112 PHE H A 112 PHE HBy 1.0 . 3.59 1481 1321 A 21 ASN H A 20 ASN H 1.0 . 3.41 1482 1322 A 23 VAL H A 21 ASN H 1.0 . 5.04 1483 1323 A 21 ASN H A 18 MET HA 1.0 . 4.77 1484 1324 A 21 ASN H A 21 ASN HBy 1.0 . 3.23 1485 1325 A 21 ASN H A 21 ASN HBx 1.0 . 3.48 1486 1326 A 22 LEU HBy A 21 ASN H 1.0 . 5.07 1487 1327 A 21 ASN H A 21 ASN HD2y 1.0 . 4.64 1488 1328 A 89 VAL HGx% A 92 THR H 1.0 . 5.50 1489 1329 A 31 VAL HGy% A 92 THR H 1.0 . 4.63 1490 1330 A 93 ILE H A 92 THR H 1.0 . 3.50 1491 1331 A 92 THR HG1 A 92 THR H 1.0 . 3.31 1492 1332 A 92 THR HB A 92 THR H 1.0 . 3.10 1493 1333 A 89 VAL HA A 92 THR H 1.0 . 3.96 1494 1334 A 91 ASN HBy A 92 THR H 1.0 . 3.89 1495 1335 A 91 ASN HBx A 92 THR H 1.0 . 3.98 1496 1336 A 92 THR HG2% A 92 THR H 1.0 . 4.01 1497 1337 A 70 MET HGx A 71 ALA H 1.0 . 5.01 1498 1338 A 72 ALA H A 71 ALA H 1.0 . 3.44 1499 1339 A 71 ALA H A 70 MET HBy 1.0 . 3.72 1500 1340 A 71 ALA H A 70 MET HBx 1.0 . 3.73 1501 1341 A 68 THR HG2% A 71 ALA H 1.0 . 5.50 1502 1342 A 119 LEU HDx% A 71 ALA H 1.0 . 4.86 1503 1343 A 116 VAL HGy% A 71 ALA H 1.0 . 5.27 1504 1344 A 116 VAL HGx% A 71 ALA H 1.0 . 5.30 1505 1345 A 120 VAL HGy% A 71 ALA H 1.0 . 5.50 1506 1346 A 36 GLN HE2y A 81 SER H 1.0 . 4.10 1507 1347 A 81 SER H A 80 THR HG2% 1.0 . 4.68 1508 1348 A 81 SER H A 80 THR H 1.0 . 2.99 1509 1349 A 86 TYR HD% A 81 SER H 1.0 . 4.52 1510 1350 A 81 SER HG A 81 SER H 1.0 . 3.07 1511 1351 A 81 SER H A 81 SER HBx 1.0 . 3.16 1512 1351 A 81 SER HBy A 81 SER H 1.0 . 3.16 1513 1352 A 78 VAL HGx% A 81 SER H 1.0 . 4.55 1514 1353 A 119 LEU H A 120 VAL H 1.0 . 3.47 1515 1354 A 120 VAL H A 120 VAL HB 1.0 . 3.37 1516 1355 A 119 LEU HBy A 120 VAL H 1.0 . 4.06 1517 1356 A 119 LEU HBx A 120 VAL H 1.0 . 4.26 1518 1357 A 120 VAL H A 120 VAL HGx% 1.0 . 4.14 1519 1358 A 116 VAL HGy% A 120 VAL H 1.0 . 4.87 1520 1359 A 121 LYS H A 120 VAL H 1.0 . 3.62 1521 1360 A 71 ALA HB% A 120 VAL H 1.0 . 4.42 1522 1361 A 119 LEU HDy% A 120 VAL H 1.0 . 4.66 1523 1362 A 20 ASN HD2x A 20 ASN H 1.0 . 4.51 1524 1363 A 20 ASN H A 19 THR HB 1.0 . 3.60 1525 1364 A 20 ASN H A 17 THR HA 1.0 . 4.30 1526 1365 A 20 ASN HBy A 20 ASN H 1.0 . 3.17 1527 1366 A 20 ASN H A 19 THR HG2% 1.0 . 4.44 1528 1367 A 20 ASN H A 19 THR HG1 1.0 . 4.43 1529 1368 A 20 ASN H A 21 ASN HA 1.0 . 5.15 1530 1369 A 75 ALA H A 74 VAL H 1.0 . 3.48 1531 1370 A 74 VAL H A 74 VAL HGy% 1.0 . 4.33 1532 1371 A 120 VAL HGy% A 74 VAL H 1.0 . 4.58 1533 1372 A 59 PRO HDy A 62 ARG H 1.0 . 4.48 1534 1373 A 62 ARG H A 61 HIS HBy 1.0 . 4.82 1535 1374 A 62 ARG H A 59 PRO HBy 1.0 . 4.99 1536 1375 A 62 ARG H A 62 ARG HBy 1.0 . 3.55 1537 1376 A 62 ARG HGy A 62 ARG H 1.0 . 3.96 1538 1377 A 62 ARG HGx A 62 ARG H 1.0 . 4.10 1539 1378 A 62 ARG H A 61 HIS HBx 1.0 . 4.61 1540 1379 A 103 GLN H A 104 ALA HB% 1.0 . 4.49 1541 1380 A 74 VAL H A 120 VAL HGx% 1.0 . 5.41 1542 1381 A 75 ALA HA A 74 VAL H 1.0 . 5.21 1543 1382 A 125 ALA HA A 126 ASP H 1.0 . 2.69 1544 1383 A 125 ALA HB% A 126 ASP H 1.0 . 3.34 1545 1384 A 125 ALA H A 126 ASP H 1.0 . 3.87 1546 1385 A 126 ASP H A 126 ASP HBy 1.0 . 3.15 1547 1386 A 126 ASP HBx A 126 ASP H 1.0 . 3.06 1548 1387 A 114 ASN H A 111 ALA HB% 1.0 . 4.81 1549 1388 A 78 VAL HB A 78 VAL H 1.0 . 3.58 1550 1389 A 75 ALA HA A 78 VAL H 1.0 . 4.06 1551 1390 A 77 VAL HB A 78 VAL H 1.0 . 4.81 1552 1391 A 78 VAL HGx% A 78 VAL H 1.0 . 4.17 1553 1392 A 52 GLN H A 48 ASN HA 1.0 . 5.10 1554 1393 A 52 GLN H A 53 LYS HBx 1.0 . 4.88 1555 1394 A 24 GLN H A 22 LEU H 1.0 . 4.06 1556 1395 A 24 GLN H A 26 ALA HB% 1.0 . 5.50 1557 1396 A 23 VAL H A 24 GLN H 1.0 . 3.62 1558 1397 A 21 ASN HA A 24 GLN H 1.0 . 4.03 1559 1398 A 24 GLN H A 23 VAL HB 1.0 . 3.34 1560 1399 A 24 GLN H A 24 GLN HBx 1.0 . 3.11 1561 1399 A 24 GLN H A 24 GLN HBy 1.0 . 3.11 1562 1400 A 72 ALA H A 73 GLU H 1.0 . 3.57 1563 1401 A 69 ALA HA A 72 ALA H 1.0 . 4.11 1564 1402 A 123 LEU HDx% A 72 ALA H 1.0 . 4.59 1565 1403 A 72 ALA H A 70 MET HBx 1.0 . 5.11 1566 1404 A 100 SER HA A 103 GLN H 1.0 . 4.08 1567 1405 A 102 MET HGy A 103 GLN H 1.0 . 3.54 1568 1406 A 103 GLN H A 102 MET HBy 1.0 . 3.95 1569 1407 A 103 GLN H A 103 GLN HBx 1.0 . 3.33 1570 1408 A 115 GLU H A 114 ASN H 1.0 . 3.23 1571 1409 A 114 ASN HBy A 114 ASN H 1.0 . 3.09 1572 1410 A 113 THR HG2% A 114 ASN H 1.0 . 4.45 1573 1411 A 114 ASN HBx A 114 ASN H 1.0 . 3.25 1574 1412 A 28 ARG H A 27 SER H 1.0 . 3.09 1575 1413 A 28 ARG H A 29 SER H 1.0 . 3.06 1576 1414 A 28 ARG H A 28 ARG HBx 1.0 . 2.97 1577 1414 A 28 ARG HBy A 28 ARG H 1.0 . 2.97 1578 1415 A 28 ARG H A 28 ARG HGx 1.0 . 3.33 1579 1415 A 28 ARG HGy A 28 ARG H 1.0 . 3.33 1580 1416 A 52 GLN H A 51 MET HGy 1.0 . 5.13 1581 1417 A 52 GLN H A 51 MET HGx 1.0 . 5.50 1582 1418 A 53 LYS H A 52 GLN H 1.0 . 3.20 1583 1419 A 52 GLN HGy A 52 GLN H 1.0 . 3.59 1584 1420 A 52 GLN H A 52 GLN HBx 1.0 . 3.06 1585 1420 A 52 GLN H A 52 GLN HBy 1.0 . 3.06 1586 1421 A 66 MET H A 67 ASN HD2y 1.0 . 4.17 1587 1422 A 66 MET H A 63 LEU HA 1.0 . 4.37 1588 1423 A 64 ARG H A 66 MET H 1.0 . 5.01 1589 1424 A 65 ALA H A 66 MET H 1.0 . 3.50 1590 1425 A 66 MET H A 66 MET HBy 1.0 . 4.15 1591 1426 A 66 MET HBx A 66 MET H 1.0 . 3.20 1592 1427 A 66 MET H A 66 MET HGx 1.0 . 4.03 1593 1428 A 63 LEU HDy% A 64 ARG H 1.0 . 5.06 1594 1429 A 65 ALA H A 64 ARG H 1.0 . 3.52 1595 1430 A 64 ARG H A 62 ARG H 1.0 . 4.55 1596 1431 A 64 ARG H A 64 ARG HBy 1.0 . 3.36 1597 1432 A 36 GLN H A 33 THR H 1.0 . 4.26 1598 1433 A 36 GLN H A 38 ASP H 1.0 . 4.38 1599 1434 A 36 GLN H A 36 GLN HGx 1.0 . 5.13 1600 1435 A 36 GLN H A 36 GLN HBx 1.0 . 3.88 1601 1436 A 67 ASN H A 66 MET H 1.0 . 3.78 1602 1437 A 67 ASN H A 67 ASN HBy 1.0 . 3.62 1603 1438 A 67 ASN H A 66 MET HBx 1.0 . 3.79 1604 1439 A 67 ASN H A 9 TRP HE1 1.0 . 4.70 1605 1440 A 67 ASN H A 66 MET HGx 1.0 . 4.56 1606 1441 A 23 VAL H A 22 LEU HG 1.0 . 4.40 1607 1442 A 54 MET HE% A 66 MET H 1.0 . 5.06 1608 1443 A 48 ASN H A 47 VAL H 1.0 . 3.61 1609 1444 A 49 SER H A 48 ASN H 1.0 . 3.26 1610 1445 A 48 ASN H A 48 ASN HD2x 1.0 . 4.62 1611 1446 A 48 ASN HBy A 48 ASN H 1.0 . 3.38 1612 1447 A 48 ASN HBx A 48 ASN H 1.0 . 3.47 1613 1448 A 48 ASN H A 47 VAL HB 1.0 . 3.53 1614 1449 A 48 ASN H A 47 VAL HGy% 1.0 . 3.84 1615 1449 A 48 ASN H A 47 VAL HGx% 1.0 . 3.84 1616 1450 A 48 ASN H A 48 ASN HD2y 1.0 . 5.23 1617 1451 A 64 ARG H A 64 ARG HDx 1.0 . 4.42 1618 1451 A 64 ARG HDy A 64 ARG H 1.0 . 4.42 1619 1452 A 64 ARG H A 65 ALA HB% 1.0 . 5.34 1620 1453 A 64 ARG H A 61 HIS HA 1.0 . 4.36 1621 1454 A 64 ARG H A 63 LEU HBx 1.0 . 4.23 1622 1455 A 23 VAL H A 22 LEU H 1.0 . 3.54 1623 1456 A 23 VAL H A 23 VAL HB 1.0 . 3.27 1624 1457 A 23 VAL HGy% A 23 VAL H 1.0 . 3.95 1625 1458 A 23 VAL H A 20 ASN HA 1.0 . 4.54 1626 1459 A 98 ARG H A 97 LEU HDx% 1.0 . 5.20 1627 1460 A 98 ARG H A 97 LEU H 1.0 . 3.36 1628 1461 A 98 ARG H A 99 GLU H 1.0 . 3.31 1629 1462 A 98 ARG H A 98 ARG HBx 1.0 . 2.96 1630 1462 A 98 ARG H A 98 ARG HBy 1.0 . 2.96 1631 1463 A 98 ARG H A 98 ARG HGx 1.0 . 4.97 1632 1464 A 98 ARG H A 97 LEU HDy% 1.0 . 4.98 1633 1465 A 98 ARG H A 97 LEU HBx 1.0 . 3.83 1634 1466 A 77 VAL H A 74 VAL HA 1.0 . 4.48 1635 1467 A 38 ASP HA A 37 MET H 1.0 . 5.31 1636 1468 A 37 MET H A 35 ASP HA 1.0 . 4.80 1637 1469 A 36 GLN H A 37 MET H 1.0 . 3.37 1638 1470 A 37 MET HGy A 37 MET H 1.0 . 3.85 1639 1471 A 36 GLN HBy A 37 MET H 1.0 . 4.12 1640 1472 A 37 MET H A 37 MET HBy 1.0 . 3.30 1641 1473 A 37 MET HBx A 37 MET H 1.0 . 4.10 1642 1474 A 36 GLN HBx A 37 MET H 1.0 . 3.94 1643 1475 A 32 LEU HDy% A 37 MET H 1.0 . 4.72 1644 1476 A 33 THR H A 37 MET H 1.0 . 4.95 1645 1477 A 34 ALA HB% A 37 MET H 1.0 . 4.92 1646 1478 A 99 GLU H A 96 CYS HA 1.0 . 4.25 1647 1479 A 99 GLU H A 99 GLU HGx 1.0 . 3.15 1648 1480 A 99 GLU H A 98 ARG HBx 1.0 . 3.24 1649 1480 A 99 GLU H A 98 ARG HBy 1.0 . 3.24 1650 1481 A 99 GLU H A 98 ARG HGx 1.0 . 4.53 1651 1482 A 99 GLU H A 101 MET H 1.0 . 4.19 1652 1483 A 18 MET H A 17 THR H 1.0 . 3.40 1653 1484 A 16 MET H A 17 THR H 1.0 . 3.20 1654 1485 A 17 THR H A 17 THR HB 1.0 . 3.15 1655 1486 A 14 ALA HB% A 17 THR H 1.0 . 4.83 1656 1487 A 16 MET HBx A 17 THR H 1.0 . 4.05 1657 1488 A 15 ALA HB% A 17 THR H 1.0 . 5.20 1658 1489 A 16 MET HGy A 17 THR H 1.0 . 4.98 1659 1490 A 54 MET HBx A 54 MET H 1.0 . 3.28 1660 1491 A 51 MET H A 54 MET H 1.0 . 4.95 1661 1492 A 53 LYS HA A 54 MET H 1.0 . 3.36 1662 1493 A 54 MET HBy A 54 MET H 1.0 . 3.16 1663 1494 A 53 LYS HBx A 54 MET H 1.0 . 4.44 1664 1495 A 77 VAL H A 75 ALA H 1.0 . 5.09 1665 1496 A 77 VAL H A 78 VAL H 1.0 . 3.60 1666 1497 A 77 VAL H A 76 GLU HBx 1.0 . 3.89 1667 1497 A 77 VAL H A 76 GLU HBy 1.0 . 3.89 1668 1498 A 38 ASP HBy A 37 MET H 1.0 . 5.23 1669 1499 A 99 GLU H A 97 LEU H 1.0 . 4.97 1670 1500 A 116 VAL H A 114 ASN HA 1.0 . 5.14 1671 1501 A 115 GLU HGy A 116 VAL H 1.0 . 4.88 1672 1502 A 119 LEU HDy% A 116 VAL H 1.0 . 5.05 1673 1503 A 116 VAL H A 115 GLU H 1.0 . 3.77 1674 1504 A 116 VAL H A 115 GLU HBy 1.0 . 3.90 1675 1505 A 115 GLU HBx A 116 VAL H 1.0 . 3.52 1676 1506 A 116 VAL H A 116 VAL HB 1.0 . 3.33 1677 1507 A 104 ALA H A 21 ASN HD2y 1.0 . 5.32 1678 1508 A 103 GLN H A 104 ALA H 1.0 . 3.20 1679 1509 A 105 THR H A 104 ALA H 1.0 . 3.50 1680 1510 A 103 GLN HBy A 104 ALA H 1.0 . 3.58 1681 1511 A 17 THR HG2% A 104 ALA H 1.0 . 4.73 1682 1512 A 16 MET H A 15 ALA H 1.0 . 3.55 1683 1513 A 16 MET H A 16 MET HGx 1.0 . 4.09 1684 1514 A 16 MET H A 18 MET HGx 1.0 . 4.89 1685 1514 A 16 MET H A 18 MET HGy 1.0 . 4.89 1686 1515 A 16 MET H A 16 MET HBx 1.0 . 3.44 1687 1516 A 12 PRO HA A 16 MET H 1.0 . 4.42 1688 1517 A 16 MET H A 16 MET HBy 1.0 . 3.37 1689 1518 A 16 MET H A 15 ALA HB% 1.0 . 3.73 1690 1519 A 14 ALA H A 16 MET H 1.0 . 4.79 1691 1520 A 16 MET H A 104 ALA HB% 1.0 . 5.50 1692 1521 A 108 VAL H A 107 SER HA 1.0 . 2.89 1693 1522 A 108 VAL H A 107 SER HBx 1.0 . 2.91 1694 1522 A 107 SER HBy A 108 VAL H 1.0 . 2.91 1695 1523 A 108 VAL HB A 108 VAL H 1.0 . 3.14 1696 1524 A 122 MET H A 122 MET HBx 1.0 . 3.02 1697 1525 A 122 MET H A 121 LYS HBx 1.0 . 3.59 1698 1526 A 123 LEU HDx% A 122 MET H 1.0 . 5.13 1699 1527 A 122 MET H A 123 LEU H 1.0 . 3.52 1700 1528 A 122 MET H A 122 MET HE% 1.0 . 4.09 1701 1529 A 122 MET H A 121 LYS HBy 1.0 . 3.38 1702 1530 A 74 VAL H A 73 GLU H 1.0 . 3.51 1703 1531 A 70 MET HA A 73 GLU H 1.0 . 4.12 1704 1532 A 73 GLU HBy A 73 GLU H 1.0 . 3.64 1705 1533 A 73 GLU H A 73 GLU HGy 1.0 . 4.00 1706 1534 A 73 GLU HGx A 73 GLU H 1.0 . 3.95 1707 1535 A 74 VAL HGx% A 73 GLU H 1.0 . 4.80 1708 1536 A 46 SER HBy A 45 ASP H 1.0 . 5.11 1709 1537 A 57 ASN H A 56 PRO HBy 1.0 . 4.68 1710 1538 A 57 ASN H A 56 PRO HBx 1.0 . 4.21 1711 1539 A 57 ASN H A 56 PRO HA 1.0 . 3.32 1712 1540 A 58 PRO HDx A 57 ASN H 1.0 . 4.02 1713 1541 A 57 ASN H A 57 ASN HBy 1.0 . 4.14 1714 1542 A 58 PRO HDy A 57 ASN H 1.0 . 4.04 1715 1543 A 23 VAL HA A 27 SER H 1.0 . 4.69 1716 1544 A 27 SER H A 28 ARG HGx 1.0 . 4.65 1717 1544 A 28 ARG HGy A 27 SER H 1.0 . 4.65 1718 1545 A 29 SER H A 27 SER H 1.0 . 4.31 1719 1546 A 27 SER H A 27 SER HBx 1.0 . 2.82 1720 1546 A 27 SER HBy A 27 SER H 1.0 . 2.82 1721 1547 A 26 ALA HB% A 27 SER H 1.0 . 3.50 1722 1548 A 23 VAL HGy% A 27 SER H 1.0 . 4.83 1723 1549 A 46 SER H A 45 ASP H 1.0 . 3.59 1724 1550 A 45 ASP H A 45 ASP HBx 1.0 . 3.12 1725 1550 A 45 ASP HBy A 45 ASP H 1.0 . 3.12 1726 1551 A 42 MET HA A 45 ASP H 1.0 . 4.05 1727 1552 A 53 LYS H A 53 LYS HBx 1.0 . 3.37 1728 1553 A 53 LYS H A 53 LYS HGy 1.0 . 3.81 1729 1554 A 123 LEU HG A 123 LEU H 1.0 . 3.66 1730 1555 A 123 LEU H A 123 LEU HBy 1.0 . 3.83 1731 1556 A 123 LEU HDx% A 123 LEU H 1.0 . 4.26 1732 1557 A 35 ASP H A 33 THR H 1.0 . 4.76 1733 1558 A 35 ASP H A 34 ALA H 1.0 . 3.28 1734 1559 A 36 GLN H A 35 ASP H 1.0 . 3.10 1735 1560 A 35 ASP HBx A 35 ASP H 1.0 . 3.09 1736 1561 A 35 ASP H A 34 ALA HB% 1.0 . 3.29 1737 1562 A 35 ASP H A 33 THR HG2% 1.0 . 4.10 1738 1563 A 35 ASP H A 33 THR HB 1.0 . 4.26 1739 1564 A 127 SER HA A 129 ASN H 1.0 . 4.84 1740 1565 A 128 ALA HA A 129 ASN H 1.0 . 3.31 1741 1566 A 128 ALA HB% A 129 ASN H 1.0 . 3.97 1742 1567 A 129 ASN H A 127 SER HBx 1.0 . 5.19 1743 1567 A 127 SER HBy A 129 ASN H 1.0 . 5.19 1744 1568 A 129 ASN HBy A 129 ASN H 1.0 . 3.80 1745 1569 A 129 ASN HBx A 129 ASN H 1.0 . 3.34 1746 1570 A 91 ASN H A 91 ASN HD2y 1.0 . 5.13 1747 1571 A 91 ASN H A 88 ALA HA 1.0 . 4.05 1748 1572 A 87 SER HA A 91 ASN H 1.0 . 4.43 1749 1573 A 91 ASN H A 91 ASN HBy 1.0 . 3.11 1750 1574 A 91 ASN H A 89 VAL H 1.0 . 4.33 1751 1575 A 90 LEU HBy A 91 ASN H 1.0 . 3.55 1752 1576 A 90 LEU HDx% A 91 ASN H 1.0 . 4.65 1753 1577 A 47 VAL H A 46 SER H 1.0 . 3.41 1754 1578 A 46 SER HBy A 46 SER H 1.0 . 2.86 1755 1579 A 46 SER H A 46 SER HBx 1.0 . 3.11 1756 1580 A 46 SER H A 45 ASP HBx 1.0 . 3.63 1757 1580 A 45 ASP HBy A 46 SER H 1.0 . 3.63 1758 1581 A 46 SER H A 50 GLN HE2x 1.0 . 5.14 1759 1581 A 50 GLN HE2y A 46 SER H 1.0 . 5.14 1760 1582 A 46 SER H A 47 VAL HGy% 1.0 . 4.77 1761 1582 A 46 SER H A 47 VAL HGx% 1.0 . 4.77 1762 1583 A 127 SER H A 126 ASP H 1.0 . 3.50 1763 1584 A 127 SER H A 126 ASP HA 1.0 . 3.14 1764 1585 A 127 SER H A 127 SER HBx 1.0 . 2.92 1765 1585 A 127 SER H A 127 SER HBy 1.0 . 2.92 1766 1586 A 96 CYS H A 94 GLY H 1.0 . 4.65 1767 1587 A 97 LEU H A 96 CYS H 1.0 . 3.37 1768 1588 A 98 ARG H A 96 CYS H 1.0 . 4.82 1769 1589 A 92 THR HA A 96 CYS H 1.0 . 4.15 1770 1590 A 96 CYS H A 93 ILE HA 1.0 . 4.02 1771 1591 A 96 CYS H A 96 CYS HBy 1.0 . 3.39 1772 1592 A 96 CYS H A 96 CYS HBx 1.0 . 3.71 1773 1593 A 96 CYS H A 93 ILE HD1% 1.0 . 5.33 1774 1594 A 90 LEU HDy% A 91 ASN H 1.0 . 4.62 1775 1595 A 67 ASN HA A 70 MET H 1.0 . 4.43 1776 1596 A 70 MET HGy A 70 MET H 1.0 . 4.87 1777 1597 A 70 MET HGx A 70 MET H 1.0 . 4.55 1778 1598 A 70 MET H A 70 MET HBy 1.0 . 3.47 1779 1599 A 70 MET H A 70 MET HBx 1.0 . 3.44 1780 1600 A 76 GLU H A 77 VAL HA 1.0 . 5.46 1781 1601 A 76 GLU H A 76 GLU HGx 1.0 . 3.92 1782 1601 A 76 GLU HGy A 76 GLU H 1.0 . 3.92 1783 1602 A 31 VAL H A 30 GLY H 1.0 . 3.12 1784 1603 A 31 VAL H A 29 SER HG 1.0 . 3.64 1785 1604 A 31 VAL HB A 31 VAL H 1.0 . 3.37 1786 1605 A 92 THR HG2% A 31 VAL H 1.0 . 5.00 1787 1606 A 31 VAL H A 32 LEU HBx 1.0 . 4.84 1788 1606 A 32 LEU HBy A 31 VAL H 1.0 . 4.84 1789 1607 A 120 VAL HGx% A 76 GLU H 1.0 . 5.22 1790 1608 A 77 VAL H A 76 GLU H 1.0 . 4.04 1791 1609 A 76 GLU H A 76 GLU HBx 1.0 . 3.36 1792 1609 A 76 GLU HBy A 76 GLU H 1.0 . 3.36 1793 1610 A 100 SER H A 101 MET H 1.0 . 3.71 1794 1611 A 99 GLU HGy A 100 SER H 1.0 . 4.41 1795 1612 A 99 GLU H A 100 SER H 1.0 . 3.45 1796 1613 A 98 ARG H A 100 SER H 1.0 . 4.77 1797 1614 A 100 SER H A 100 SER HG 1.0 . 3.33 1798 1615 A 100 SER H A 99 GLU HBx 1.0 . 3.54 1799 1616 A 100 SER H A 98 ARG HBx 1.0 . 5.50 1800 1616 A 100 SER H A 98 ARG HBy 1.0 . 5.50 1801 1617 A 7 PRO HDx A 9 TRP H 1.0 . 5.31 1802 1618 A 8 ILE HB A 9 TRP H 1.0 . 5.00 1803 1619 A 84 GLN H A 86 TYR H 1.0 . 4.62 1804 1620 A 84 GLN H A 83 PRO HDy 1.0 . 5.01 1805 1621 A 84 GLN H A 84 GLN HBx 1.0 . 3.28 1806 1621 A 84 GLN HBy A 84 GLN H 1.0 . 3.28 1807 1622 A 84 GLN H A 83 PRO HBx 1.0 . 3.90 1808 1623 A 19 THR H A 18 MET HBx 1.0 . 4.44 1809 1624 A 21 ASN H A 19 THR H 1.0 . 4.44 1810 1625 A 19 THR H A 19 THR HG1 1.0 . 3.42 1811 1626 A 19 THR HB A 19 THR H 1.0 . 3.60 1812 1627 A 19 THR H A 18 MET HGx 1.0 . 4.00 1813 1627 A 19 THR H A 18 MET HGy 1.0 . 4.00 1814 1628 A 15 ALA HA A 19 THR H 1.0 . 4.53 1815 1629 A 16 MET HE% A 19 THR H 1.0 . 5.43 1816 1630 A 17 THR HG2% A 19 THR H 1.0 . 5.44 1817 1631 A 13 ASN H A 15 ALA H 1.0 . 4.88 1818 1632 A 13 ASN H A 51 MET HE% 1.0 . 5.49 1819 1633 A 105 THR H A 107 SER H 1.0 . 3.57 1820 1634 A 12 PRO HDy A 13 ASN H 1.0 . 4.37 1821 1635 A 13 ASN H A 13 ASN HBy 1.0 . 3.15 1822 1635 A 13 ASN H A 13 ASN HBx 1.0 . 3.15 1823 1636 A 13 ASN H A 12 PRO HBy 1.0 . 4.29 1824 1637 A 13 ASN H A 12 PRO HGx 1.0 . 4.24 1825 1637 A 13 ASN H A 12 PRO HGy 1.0 . 4.24 1826 1638 A 13 ASN H A 12 PRO HBx 1.0 . 3.83 1827 1639 A 13 ASN H A 14 ALA HB% 1.0 . 4.64 1828 1640 A 11 ASN HA A 13 ASN H 1.0 . 4.58 1829 1641 A 117 MET H A 117 MET HBy 1.0 . 3.53 1830 1642 A 117 MET H A 117 MET HBx 1.0 . 3.86 1831 1643 A 117 MET H A 119 LEU H 1.0 . 4.86 1832 1644 A 117 MET H A 117 MET HGx 1.0 . 3.79 1833 1645 A 117 MET H A 116 VAL HB 1.0 . 3.79 1834 1646 A 49 SER H A 47 VAL HA 1.0 . 4.88 1835 1647 A 49 SER H A 49 SER HBy 1.0 . 3.03 1836 1648 A 86 TYR HBy A 85 SER H 1.0 . 4.28 1837 1649 A 84 GLN HGx A 85 SER H 1.0 . 4.64 1838 1650 A 84 GLN H A 85 SER H 1.0 . 3.49 1839 1651 A 85 SER H A 84 GLN HBx 1.0 . 3.72 1840 1651 A 84 GLN HBy A 85 SER H 1.0 . 3.72 1841 1652 A 89 VAL HGy% A 85 SER H 1.0 . 5.46 1842 1653 A 87 SER H A 85 SER H 1.0 . 4.82 1843 1654 A 104 ALA HB% A 107 SER H 1.0 . 5.27 1844 1655 A 106 GLY H A 107 SER H 1.0 . 3.28 1845 1656 A 102 MET HA A 107 SER H 1.0 . 3.30 1846 1657 A 107 SER H A 107 SER HBx 1.0 . 3.18 1847 1657 A 107 SER HBy A 107 SER H 1.0 . 3.18 1848 1658 A 105 THR HG2% A 107 SER H 1.0 . 4.37 1849 1659 A 102 MET HE% A 107 SER H 1.0 . 4.89 1850 1660 A 101 MET HE% A 107 SER H 1.0 . 5.50 1851 1661 A 108 VAL HGx% A 107 SER H 1.0 . 5.23 1852 1662 A 119 LEU HDx% A 68 THR H 1.0 . 5.35 1853 1663 A 69 ALA H A 68 THR H 1.0 . 3.66 1854 1664 A 67 ASN H A 68 THR H 1.0 . 3.88 1855 1665 A 68 THR HB A 68 THR H 1.0 . 3.40 1856 1666 A 67 ASN HBy A 68 THR H 1.0 . 4.06 1857 1667 A 67 ASN HBx A 68 THR H 1.0 . 4.26 1858 1668 A 69 ALA HB% A 68 THR H 1.0 . 5.29 1859 1669 A 32 LEU HDy% A 36 GLN HE2x 1.0 . 5.35 1860 1670 A 36 GLN HE2x A 80 THR HB 1.0 . 5.07 1861 1671 A 81 SER HG A 36 GLN HE2x 1.0 . 4.99 1862 1672 A 89 VAL HGx% A 36 GLN HE2x 1.0 . 5.50 1863 1673 A 36 GLN HE2y A 80 THR HB 1.0 . 4.78 1864 1674 A 36 GLN HE2y A 81 SER HG 1.0 . 5.07 1865 1675 A 31 VAL H A 29 SER H 1.0 . 4.44 1866 1676 A 110 ASN HD2x A 110 ASN HBx 1.0 . 3.94 1867 1676 A 110 ASN HBy A 110 ASN HD2x 1.0 . 3.94 1868 1677 A 111 ALA H A 110 ASN HD2x 1.0 . 5.22 1869 1678 A 29 SER HG A 29 SER H 1.0 . 3.36 1870 1679 A 29 SER H A 29 SER HBx 1.0 . 3.20 1871 1679 A 29 SER HBy A 29 SER H 1.0 . 3.20 1872 1680 A 29 SER H A 26 ALA HA 1.0 . 3.99 1873 1681 A 29 SER H A 28 ARG HBx 1.0 . 3.77 1874 1681 A 28 ARG HBy A 29 SER H 1.0 . 3.77 1875 1682 A 29 SER H A 28 ARG HGx 1.0 . 4.52 1876 1682 A 28 ARG HGy A 29 SER H 1.0 . 4.52 1877 1683 A 26 ALA HB% A 29 SER H 1.0 . 5.16 1878 1684 A 110 ASN HD2y A 110 ASN HBx 1.0 . 4.02 1879 1684 A 110 ASN HBy A 110 ASN HD2y 1.0 . 4.02 1880 1685 A 87 SER H A 87 SER HBx 1.0 . 2.78 1881 1685 A 87 SER H A 87 SER HBy 1.0 . 2.78 1882 1686 A 87 SER H A 86 TYR HBx 1.0 . 3.43 1883 1687 A 87 SER H A 88 ALA HB% 1.0 . 4.85 1884 1688 A 110 ASN HD2x A 109 ASP HA 1.0 . 5.15 1885 1689 A 13 ASN HA A 13 ASN HD2x 1.0 . 5.16 1886 1690 A 13 ASN HD2x A 13 ASN HBy 1.0 . 3.94 1887 1690 A 13 ASN HBx A 13 ASN HD2x 1.0 . 3.94 1888 1691 A 57 ASN HA A 57 ASN HD2x 1.0 . 4.44 1889 1692 A 57 ASN HD2x A 57 ASN HBx 1.0 . 3.54 1890 1693 A 56 PRO HBx A 57 ASN HD2x 1.0 . 4.66 1891 1694 A 129 ASN HBy A 129 ASN HD2x 1.0 . 3.67 1892 1695 A 129 ASN HBx A 129 ASN HD2x 1.0 . 3.30 1893 1696 A 13 ASN H A 13 ASN HD2y 1.0 . 4.97 1894 1697 A 57 ASN HA A 57 ASN HD2y 1.0 . 4.97 1895 1698 A 129 ASN HBx A 129 ASN HD2y 1.0 . 4.04 1896 1699 A 33 THR H A 34 ALA H 1.0 . 4.95 1897 1700 A 33 THR H A 36 GLN HGx 1.0 . 4.61 1898 1701 A 36 GLN HGy A 33 THR H 1.0 . 4.43 1899 1702 A 33 THR H A 36 GLN HBx 1.0 . 4.02 1900 1703 A 33 THR H A 32 LEU HA 1.0 . 3.21 1901 1704 A 33 THR H A 36 GLN HBy 1.0 . 3.78 1902 1705 A 114 ASN HBx A 114 ASN HD2x 1.0 . 3.67 1903 1706 A 57 ASN HD2x A 56 PRO HGx 1.0 . 4.84 1904 1706 A 56 PRO HGy A 57 ASN HD2x 1.0 . 4.84 1905 1707 A 57 ASN HBy A 57 ASN HD2y 1.0 . 4.05 1906 1708 A 32 LEU H A 33 THR H 1.0 . 4.60 1907 1709 A 33 THR H A 36 GLN HA 1.0 . 5.03 1908 1710 A 105 THR HG2% A 106 GLY H 1.0 . 4.58 1909 1711 A 11 ASN HBx A 11 ASN HD2x 1.0 . 3.93 1910 1712 A 14 ALA HB% A 11 ASN HD2x 1.0 . 4.49 1911 1713 A 115 GLU H A 114 ASN HD2x 1.0 . 4.33 1912 1714 A 111 ALA HA A 114 ASN HD2x 1.0 . 4.74 1913 1715 A 88 ALA HA A 91 ASN HD2x 1.0 . 4.50 1914 1716 A 91 ASN H A 91 ASN HD2x 1.0 . 4.25 1915 1717 A 91 ASN HD2x A 87 SER HBx 1.0 . 4.77 1916 1717 A 87 SER HBy A 91 ASN HD2x 1.0 . 4.77 1917 1718 A 91 ASN HBy A 91 ASN HD2x 1.0 . 3.71 1918 1719 A 14 ALA HB% A 11 ASN HD2y 1.0 . 4.35 1919 1720 A 12 PRO HDy A 11 ASN HD2y 1.0 . 5.37 1920 1721 A 114 ASN H A 114 ASN HD2y 1.0 . 4.72 1921 1722 A 111 ALA HA A 114 ASN HD2y 1.0 . 4.49 1922 1723 A 114 ASN HBy A 114 ASN HD2y 1.0 . 3.86 1923 1724 A 114 ASN HBx A 114 ASN HD2y 1.0 . 3.67 1924 1725 A 91 ASN HBy A 91 ASN HD2y 1.0 . 3.89 1925 1726 A 91 ASN HD2y A 87 SER HBx 1.0 . 4.34 1926 1726 A 87 SER HBy A 91 ASN HD2y 1.0 . 4.34 1927 1727 A 111 ALA HB% A 114 ASN HD2y 1.0 . 5.50 1928 1728 A 88 ALA HA A 91 ASN HD2y 1.0 . 4.78 1929 1729 A 84 GLN H A 84 GLN HE2x 1.0 . 4.99 1930 1730 A 84 GLN HGx A 84 GLN HE2x 1.0 . 3.21 1931 1731 A 84 GLN HE2x A 84 GLN HBx 1.0 . 4.77 1932 1731 A 84 GLN HBy A 84 GLN HE2x 1.0 . 4.77 1933 1732 A 20 ASN HD2x A 20 ASN HA 1.0 . 4.75 1934 1733 A 20 ASN HBy A 20 ASN HD2x 1.0 . 3.77 1935 1734 A 6 GLN HE2x A 6 GLN HGx 1.0 . 3.76 1936 1734 A 6 GLN HGy A 6 GLN HE2x 1.0 . 3.76 1937 1735 A 118 GLN HE2x A 118 GLN HGx 1.0 . 3.98 1938 1735 A 118 GLN HGy A 118 GLN HE2x 1.0 . 3.98 1939 1736 A 63 LEU HDy% A 6 GLN HE2x 1.0 . 4.64 1940 1737 A 84 GLN HGy A 84 GLN HE2y 1.0 . 3.97 1941 1738 A 84 GLN HGx A 84 GLN HE2y 1.0 . 3.80 1942 1739 A 84 GLN HE2y A 84 GLN HBx 1.0 . 5.13 1943 1739 A 84 GLN HBy A 84 GLN HE2y 1.0 . 5.13 1944 1740 A 20 ASN HD2y A 17 THR HA 1.0 . 5.08 1945 1741 A 20 ASN HA A 20 ASN HD2y 1.0 . 4.96 1946 1742 A 63 LEU HDy% A 6 GLN HE2y 1.0 . 5.04 1947 1743 A 10 THR HG2% A 6 GLN HE2y 1.0 . 5.50 1948 1744 A 113 THR H A 112 PHE HBx 1.0 . 3.89 1949 1745 A 113 THR H A 112 PHE HD% 1.0 . 4.45 1950 1746 A 113 THR H A 111 ALA HB% 1.0 . 5.45 1951 1747 A 113 THR H A 112 PHE HBy 1.0 . 4.27 1952 1748 A 20 ASN HD2x A 17 THR HA 1.0 . 4.70 1953 1749 A 20 ASN HD2x A 16 MET HBx 1.0 . 4.45 1954 1750 A 20 ASN H A 20 ASN HD2y 1.0 . 4.94 1955 1751 A 108 VAL HGy% A 113 THR H 1.0 . 5.23 1956 1752 A 113 THR HB A 113 THR H 1.0 . 3.91 1957 1753 A 123 LEU H A 124 SER H 1.0 . 3.30 1958 1754 A 124 SER HG A 124 SER H 1.0 . 4.31 1959 1755 A 123 LEU HDy% A 124 SER H 1.0 . 4.89 1960 1756 A 122 MET HA A 124 SER H 1.0 . 3.64 1961 1757 A 124 SER HBx A 124 SER H 1.0 . 3.67 1962 1758 A 123 LEU HG A 124 SER H 1.0 . 4.86 1963 1759 A 123 LEU HBy A 124 SER H 1.0 . 4.20 1964 1760 A 75 ALA HB% A 124 SER H 1.0 . 4.10 1965 1761 A 78 VAL HGx% A 124 SER H 1.0 . 5.37 1966 1762 A 21 ASN H A 21 ASN HD2x 1.0 . 4.67 1967 1763 A 103 GLN HBy A 21 ASN HD2x 1.0 . 4.91 1968 1764 A 103 GLN HGy A 103 GLN HE2x 1.0 . 3.69 1969 1765 A 99 GLU HBx A 103 GLN HE2x 1.0 . 4.56 1970 1766 A 49 SER HA A 52 GLN HE2x 1.0 . 4.50 1971 1767 A 52 GLN H A 52 GLN HE2x 1.0 . 4.43 1972 1768 A 52 GLN HA A 52 GLN HE2x 1.0 . 4.94 1973 1769 A 52 GLN HGy A 52 GLN HE2x 1.0 . 4.06 1974 1770 A 21 ASN HA A 21 ASN HD2y 1.0 . 5.13 1975 1771 A 21 ASN HBx A 21 ASN HD2y 1.0 . 4.06 1976 1772 A 100 SER HA A 21 ASN HD2y 1.0 . 4.59 1977 1773 A 103 GLN HBy A 21 ASN HD2y 1.0 . 4.70 1978 1774 A 49 SER HA A 52 GLN HE2y 1.0 . 4.92 1979 1775 A 48 ASN HBx A 52 GLN HE2y 1.0 . 4.98 1980 1776 A 103 GLN HGy A 103 GLN HE2y 1.0 . 3.94 1981 1777 A 52 GLN HE2y A 52 GLN HBx 1.0 . 4.86 1982 1777 A 52 GLN HBy A 52 GLN HE2y 1.0 . 4.86 1983 1778 A 99 GLU HBx A 103 GLN HE2y 1.0 . 4.30 1984 1779 A 100 SER HA A 21 ASN HD2x 1.0 . 4.99 1985 1780 A 103 GLN HBx A 21 ASN HD2x 1.0 . 4.62 1986 1781 A 21 ASN HD2y A 100 SER HG 1.0 . 5.10 1987 1782 A 104 ALA HB% A 21 ASN HD2y 1.0 . 5.42 1988 1783 A 103 GLN HBx A 21 ASN HD2y 1.0 . 4.77 1989 1784 A 50 GLN HBx A 50 GLN HE2x 1.0 . 4.74 1990 1784 A 50 GLN HBy A 50 GLN HE2x 1.0 . 4.74 1991 1784 A 50 GLN HE2y A 50 GLN HBx 1.0 . 4.74 1992 1784 A 50 GLN HE2y A 50 GLN HBy 1.0 . 4.74 1993 1785 A 50 GLN HGy A 50 GLN HE2x 1.0 . 3.65 1994 1785 A 50 GLN HE2y A 50 GLN HGy 1.0 . 3.65 1995 1786 A 47 VAL HGx% A 50 GLN HE2x 1.0 . 5.09 1996 1786 A 50 GLN HE2y A 47 VAL HGy% 1.0 . 5.09 1997 1786 A 50 GLN HE2y A 47 VAL HGx% 1.0 . 5.09 1998 1786 A 47 VAL HGy% A 50 GLN HE2x 1.0 . 5.09 1999 1787 A 46 SER HBy A 50 GLN HE2x 1.0 . 4.94 2000 1787 A 50 GLN HE2y A 46 SER HBy 1.0 . 4.94 2001 1788 A 50 GLN HA A 50 GLN HE2x 1.0 . 5.36 2002 1788 A 50 GLN HE2y A 50 GLN HA 1.0 . 5.36 2003 1789 A 47 VAL HA A 50 GLN HE2x 1.0 . 4.45 2004 1789 A 50 GLN HE2y A 47 VAL HA 1.0 . 4.45 2005 1790 A 24 GLN HGx A 24 GLN HE2x 1.0 . 3.92 2006 1791 A 24 GLN HE2y A 24 GLN HBx 1.0 . 5.25 2007 1791 A 24 GLN HBy A 24 GLN HE2y 1.0 . 5.25 2008 1792 A 24 GLN HGy A 24 GLN HE2x 1.0 . 3.82 2009 1793 A 30 GLY H A 28 ARG HBx 1.0 . 5.50 2010 1793 A 28 ARG HBy A 30 GLY H 1.0 . 5.50 2011 1794 A 30 GLY H A 29 SER HG 1.0 . 3.86 2012 1795 A 31 VAL HB A 30 GLY H 1.0 . 4.68 2013 1796 A 32 LEU HDx% A 30 GLY H 1.0 . 5.37 2014 1797 A 16 MET HE% A 48 ASN HD2y 1.0 . 5.50 2015 1798 A 48 ASN HBx A 48 ASN HD2x 1.0 . 3.93 2016 1799 A 44 ALA HB% A 48 ASN HD2x 1.0 . 5.16 2017 1800 A 48 ASN HBy A 48 ASN HD2x 1.0 . 3.97 2018 1801 A 19 THR HG2% A 48 ASN HD2x 1.0 . 5.50 2019 1802 A 44 ALA HB% A 48 ASN HD2y 1.0 . 5.17 2020 1803 A 19 THR HG2% A 48 ASN HD2y 1.0 . 5.43 2021 1804 A 45 ASP HA A 48 ASN HD2y 1.0 . 4.42 2022 1805 A 94 GLY H A 91 ASN HA 1.0 . 4.42 2023 1806 A 93 ILE H A 94 GLY H 1.0 . 3.89 2024 1807 A 90 LEU HDx% A 94 GLY H 1.0 . 5.48 2025 1808 A 93 ILE HG1y A 94 GLY H 1.0 . 4.74 2026 1809 A 90 LEU HA A 94 GLY H 1.0 . 5.03 2027 1810 A 94 GLY H A 93 ILE HB 1.0 . 3.62 2028 1811 A 95 ALA HB% A 94 GLY H 1.0 . 4.72 2029 1812 A 93 ILE HG1x A 94 GLY H 1.0 . 4.85 2030 1813 A 42 MET H A 41 GLY H 1.0 . 3.66 2031 1814 A 40 MET HBy A 41 GLY H 1.0 . 3.96 2032 1815 A 40 MET HBx A 41 GLY H 1.0 . 4.47 2033 1816 A 44 ALA HB% A 41 GLY H 1.0 . 5.31 2034 1817 A 23 VAL HGy% A 41 GLY H 1.0 . 4.69 2035 1818 A 38 ASP HA A 41 GLY H 1.0 . 4.49 2036 1819 A 40 MET HGy A 41 GLY H 1.0 . 5.21 2037 1820 A 42 MET HGx A 41 GLY H 1.0 . 5.20 2038 1821 A 81 SER HG A 80 THR H 1.0 . 4.49 2039 1822 A 78 VAL HA A 80 THR H 1.0 . 4.88 2040 1823 A 80 THR H A 80 THR HB 1.0 . 4.03 2041 1824 A 77 VAL HA A 80 THR H 1.0 . 4.58 2042 1825 A 79 ALA HB% A 80 THR H 1.0 . 3.93 2043 1826 A 78 VAL HGx% A 80 THR H 1.0 . 5.50 2044 1827 A 78 VAL H A 80 THR H 1.0 . 4.94 2045 1828 A 77 VAL HGx% A 80 THR H 1.0 . 5.18 2046 1829 A 55 GLY H A 54 MET H 1.0 . 3.24 2047 1830 A 55 GLY H A 56 PRO HDy 1.0 . 4.94 2048 1831 A 55 GLY H A 54 MET HBx 1.0 . 4.45 2049 1832 A 55 GLY H A 54 MET HGy 1.0 . 4.78 2050 1833 A 55 GLY H A 54 MET HBy 1.0 . 4.01 2051 1834 A 10 THR HG2% A 10 THR H 1.0 . 3.74 2052 1835 A 10 THR H A 9 TRP H 1.0 . 4.08 2053 1836 A 10 THR H A 10 THR HG1 1.0 . 4.04 2054 1837 A 10 THR H A 9 TRP HBx 1.0 . 5.00 2055 1838 A 10 THR H A 8 ILE HG1y 1.0 . 4.95 2056 1839 A 105 THR H A 8 ILE HD1% 1.0 . 5.29 2057 1840 A 105 THR H A 104 ALA HB% 1.0 . 3.88 2058 1841 A 105 THR H A 106 GLY H 1.0 . 3.11 2059 1842 A 105 THR H A 102 MET HA 1.0 . 4.05 2060 1843 A 105 THR H A 17 THR HG2% 1.0 . 5.37 stop_ save_