data_nef_c25434_2mxw 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 PDB 2MXW stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 HIS middle . . 3 A 3 MET middle . . 4 A 4 GLN middle . . 5 A 5 GLU middle . . 6 A 6 SER middle . . 7 A 7 TYR middle . . 8 A 8 SER middle . . 9 A 9 GLN middle . . 10 A 10 TYR middle . . 11 A 11 PRO middle . false 12 A 12 VAL middle . . 13 A 13 PRO middle . false 14 A 14 ASP middle . . 15 A 15 VAL middle . . 16 A 16 SER middle . . 17 A 17 THR middle . . 18 A 18 TYR middle . . 19 A 19 GLN middle . . 20 A 20 TYR middle . . 21 A 21 ASP middle . . 22 A 22 GLU middle . . 23 A 23 THR middle . . 24 A 24 SER middle . . 25 A 25 GLY middle . false 26 A 26 TYR middle . . 27 A 27 TYR middle . . 28 A 28 TYR middle . . 29 A 29 ASP middle . . 30 A 30 PRO middle . false 31 A 31 GLN middle . . 32 A 32 THR middle . . 33 A 33 GLY middle . false 34 A 34 LEU middle . . 35 A 35 TYR middle . . 36 A 36 TYR middle . . 37 A 37 ASP middle . . 38 A 38 PRO middle . false 39 A 39 ASN middle . . 40 A 40 SER middle . . 41 A 41 GLN middle . . 42 A 42 TYR middle . . 43 A 43 TYR middle . . 44 A 44 TYR middle . . 45 A 45 ASN middle . . 46 A 46 ALA middle . . 47 A 47 GLN middle . . 48 A 48 SER middle . . 49 A 49 GLN middle . . 50 A 50 GLN middle . . 51 A 51 TYR middle . . 52 A 52 LEU middle . . 53 A 53 TYR middle . . 54 A 54 TRP middle . . 55 A 55 ASP middle . . 56 A 56 GLY middle . false 57 A 57 GLU middle . . 58 A 58 ARG middle . . 59 A 59 ARG middle . . 60 A 60 THR middle . . 61 A 61 TYR middle . . 62 A 62 VAL middle . . 63 A 63 PRO middle . false 64 A 64 ALA middle . . 65 A 65 LEU middle . . 66 A 66 GLU middle . . 67 A 67 GLN middle . . 68 A 68 SER middle . . 69 A 69 ALA middle . . 70 A 70 ASP middle . . 71 A 71 GLY middle . false 72 A 72 HIS middle . . 73 A 73 LYS middle . . 74 A 74 GLU middle . . 75 A 75 THR middle . . 76 A 76 GLY middle . false 77 A 77 ALA middle . . 78 A 78 PRO middle . false 79 A 79 SER middle . . 80 A 80 LYS middle . . 81 A 81 GLU middle . . 82 A 82 GLY middle . false 83 A 83 LYS middle . . 84 A 84 GLU middle . . 85 A 85 LYS middle . . 86 A 86 LYS middle . . 87 A 87 GLU middle . . 88 A 88 LYS middle . . 89 A 89 HIS middle . . 90 A 90 LYS middle . . 91 A 91 THR middle . . 92 A 92 LYS 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 GLU H H 1 8.538 0.000 A 5 GLU HA H 1 4.534 0.000 A 5 GLU HBx H 1 1.970 0.000 A 5 GLU HBy H 1 1.970 0.000 A 5 GLU HGx H 1 2.344 0.000 A 5 GLU HGy H 1 2.344 0.000 A 5 GLU CA C 13 63.240 0.000 A 5 GLU CB C 13 32.225 0.000 A 5 GLU CG C 13 32.225 0.000 A 5 GLU N N 15 123.289 0.000 A 6 SER H H 1 8.435 0.000 A 6 SER HA H 1 4.552 0.000 A 6 SER HBx H 1 3.969 0.000 A 6 SER HBy H 1 4.045 0.000 A 6 SER CA C 13 58.231 0.000 A 6 SER CB C 13 64.028 0.000 A 6 SER N N 15 115.506 0.000 A 7 TYR H H 1 8.137 0.000 A 7 TYR HA H 1 4.742 0.000 A 7 TYR HBy H 1 3.211 0.000 A 7 TYR HBx H 1 3.043 0.000 A 7 TYR HDx H 1 7.155 0.000 A 7 TYR HDy H 1 7.155 0.000 A 7 TYR HEx H 1 6.884 0.000 A 7 TYR HEy H 1 6.884 0.000 A 7 TYR CA C 13 57.611 0.000 A 7 TYR CB C 13 39.176 0.000 A 7 TYR CDx C 13 133.664 0.000 A 7 TYR CDy C 13 133.664 0.000 A 7 TYR CEx C 13 118.601 0.000 A 7 TYR CEy C 13 118.601 0.000 A 7 TYR N N 15 121.104 0.000 A 8 SER H H 1 8.364 0.000 A 8 SER HA H 1 4.539 0.000 A 8 SER HBx H 1 3.898 0.000 A 8 SER HBy H 1 3.898 0.000 A 8 SER CA C 13 58.327 0.000 A 8 SER CB C 13 63.958 0.000 A 8 SER N N 15 116.875 0.000 A 9 GLN H H 1 8.414 0.000 A 9 GLN HA H 1 4.443 0.000 A 9 GLN HBy H 1 2.200 0.000 A 9 GLN HBx H 1 2.085 0.000 A 9 GLN HE2x H 1 7.018 0.000 A 9 GLN HE2y H 1 7.565 0.000 A 9 GLN HGx H 1 2.398 0.000 A 9 GLN HGy H 1 2.398 0.000 A 9 GLN CA C 13 56.678 0.000 A 9 GLN CB C 13 30.372 0.000 A 9 GLN CG C 13 33.789 0.000 A 9 GLN N N 15 120.999 0.000 A 9 GLN NE2 N 15 112.018 0.000 A 10 TYR H H 1 8.549 0.000 A 10 TYR HA H 1 4.974 0.000 A 10 TYR HBx H 1 2.979 0.000 A 10 TYR HBy H 1 3.471 0.000 A 10 TYR HDx H 1 7.464 0.000 A 10 TYR HDy H 1 7.464 0.000 A 10 TYR HEx H 1 7.013 0.000 A 10 TYR HEy H 1 7.013 0.000 A 10 TYR CA C 13 56.383 0.000 A 10 TYR CB C 13 40.009 0.000 A 10 TYR CDx C 13 134.000 0.000 A 10 TYR CDy C 13 134.000 0.000 A 10 TYR CEx C 13 118.913 0.000 A 10 TYR CEy C 13 118.913 0.000 A 10 TYR N N 15 121.815 0.000 A 11 PRO HA H 1 4.616 0.000 A 11 PRO HBx H 1 2.345 0.000 A 11 PRO HBy H 1 2.345 0.000 A 11 PRO HDx H 1 3.806 0.000 A 11 PRO HDy H 1 3.901 0.000 A 11 PRO HGx H 1 2.053 0.000 A 11 PRO HGy H 1 2.053 0.000 A 11 PRO CA C 13 61.999 0.000 A 11 PRO CB C 13 32.203 0.000 A 11 PRO CD C 13 50.487 0.000 A 11 PRO CG C 13 27.492 0.000 A 12 VAL H H 1 8.074 0.000 A 12 VAL HA H 1 3.800 0.000 A 12 VAL HB H 1 1.965 0.000 A 12 VAL HGx% H 1 1.012 0.000 A 12 VAL HGy% H 1 1.199 0.000 A 12 VAL CA C 13 60.457 0.000 A 12 VAL CB C 13 32.251 0.000 A 12 VAL CGx C 13 20.911 0.000 A 12 VAL CGy C 13 21.468 0.000 A 12 VAL N N 15 120.450 0.000 A 13 PRO HA H 1 4.018 0.000 A 13 PRO HBy H 1 2.035 0.000 A 13 PRO HBx H 1 1.501 0.000 A 13 PRO HDy H 1 2.227 0.000 A 13 PRO HDx H 1 1.982 0.000 A 13 PRO HGx H 1 1.089 0.000 A 13 PRO HGy H 1 1.089 0.000 A 13 PRO CA C 13 63.180 0.000 A 13 PRO CB C 13 32.632 0.000 A 13 PRO CD C 13 49.738 0.000 A 13 PRO CG C 13 26.436 0.000 A 14 ASP H H 1 8.148 0.000 A 14 ASP HA H 1 4.711 0.000 A 14 ASP HBx H 1 2.511 0.000 A 14 ASP HBy H 1 2.806 0.000 A 14 ASP CA C 13 52.074 0.000 A 14 ASP CB C 13 41.050 0.000 A 14 ASP N N 15 120.579 0.000 A 15 VAL H H 1 8.161 0.000 A 15 VAL HA H 1 2.170 0.000 A 15 VAL HB H 1 1.649 0.000 A 15 VAL HGx% H 1 0.649 0.000 A 15 VAL HGy% H 1 0.522 0.000 A 15 VAL CA C 13 62.769 0.000 A 15 VAL CB C 13 30.897 0.000 A 15 VAL CGx C 13 19.453 0.000 A 15 VAL CGy C 13 20.403 0.000 A 15 VAL N N 15 120.884 0.000 A 16 SER H H 1 8.139 0.000 A 16 SER HA H 1 4.294 0.000 A 16 SER HBx H 1 3.971 0.000 A 16 SER HBy H 1 4.036 0.000 A 16 SER CA C 13 61.011 0.000 A 16 SER CB C 13 63.004 0.000 A 16 SER N N 15 116.885 0.000 A 17 THR H H 1 7.549 0.000 A 17 THR HA H 1 4.558 0.000 A 17 THR HB H 1 4.628 0.000 A 17 THR HG2% H 1 1.267 0.000 A 17 THR CA C 13 61.987 0.000 A 17 THR CB C 13 70.459 0.000 A 17 THR CG2 C 13 21.843 0.000 A 17 THR N N 15 110.397 0.000 A 18 TYR H H 1 7.365 0.000 A 18 TYR HA H 1 5.168 0.000 A 18 TYR HBy H 1 3.462 0.000 A 18 TYR HBx H 1 3.363 0.000 A 18 TYR HDx H 1 6.943 0.000 A 18 TYR HDy H 1 6.943 0.000 A 18 TYR HEx H 1 6.332 0.000 A 18 TYR HEy H 1 6.332 0.000 A 18 TYR CA C 13 54.823 0.000 A 18 TYR CB C 13 37.740 0.000 A 18 TYR CDx C 13 131.066 0.000 A 18 TYR CDy C 13 131.066 0.000 A 18 TYR CEx C 13 119.778 0.000 A 18 TYR CEy C 13 119.778 0.000 A 18 TYR N N 15 120.956 0.000 A 19 GLN H H 1 9.372 0.000 A 19 GLN HA H 1 5.052 0.000 A 19 GLN HBx H 1 2.352 0.000 A 19 GLN HBy H 1 2.424 0.000 A 19 GLN HE2y H 1 7.707 0.000 A 19 GLN HE2x H 1 7.003 0.000 A 19 GLN HGx H 1 2.714 0.000 A 19 GLN HGy H 1 2.714 0.000 A 19 GLN CA C 13 54.386 0.000 A 19 GLN CB C 13 31.447 0.000 A 19 GLN CG C 13 33.918 0.000 A 19 GLN N N 15 119.670 0.000 A 19 GLN NE2 N 15 111.304 0.000 A 20 TYR H H 1 9.433 0.000 A 20 TYR HA H 1 4.102 0.000 A 20 TYR HBy H 1 2.923 0.000 A 20 TYR HBx H 1 2.887 0.000 A 20 TYR HDx H 1 6.357 0.000 A 20 TYR HDy H 1 6.357 0.000 A 20 TYR HEx H 1 6.644 0.000 A 20 TYR HEy H 1 6.644 0.000 A 20 TYR CA C 13 59.374 0.000 A 20 TYR CB C 13 39.026 0.000 A 20 TYR CDx C 13 132.940 0.000 A 20 TYR CDy C 13 132.940 0.000 A 20 TYR CEx C 13 118.355 0.000 A 20 TYR CEy C 13 118.355 0.000 A 20 TYR N N 15 126.395 0.000 A 21 ASP H H 1 8.128 0.000 A 21 ASP HA H 1 4.880 0.000 A 21 ASP HBx H 1 2.528 0.000 A 21 ASP HBy H 1 3.107 0.000 A 21 ASP CA C 13 52.333 0.000 A 21 ASP CB C 13 42.332 0.000 A 21 ASP N N 15 128.962 0.000 A 22 GLU H H 1 8.768 0.000 A 22 GLU HA H 1 3.798 0.000 A 22 GLU HBx H 1 2.167 0.000 A 22 GLU HBy H 1 2.167 0.000 A 22 GLU HGx H 1 2.467 0.000 A 22 GLU HGy H 1 2.467 0.000 A 22 GLU CA C 13 58.633 0.000 A 22 GLU CB C 13 29.712 0.000 A 22 GLU CG C 13 36.123 0.000 A 22 GLU N N 15 124.636 0.000 A 23 THR H H 1 8.031 0.000 A 23 THR HA H 1 4.045 0.000 A 23 THR HB H 1 4.350 0.000 A 23 THR HG2% H 1 1.281 0.000 A 23 THR CA C 13 65.526 0.000 A 23 THR CB C 13 68.434 0.000 A 23 THR CG2 C 13 21.981 0.000 A 23 THR N N 15 112.402 0.000 A 24 SER H H 1 7.503 0.000 A 24 SER HA H 1 4.327 0.000 A 24 SER HBx H 1 3.577 0.000 A 24 SER HBy H 1 3.692 0.000 A 24 SER CA C 13 59.046 0.000 A 24 SER CB C 13 65.024 0.000 A 24 SER N N 15 113.712 0.000 A 25 GLY H H 1 8.304 0.000 A 25 GLY HAx H 1 3.780 0.000 A 25 GLY HAy H 1 4.129 0.000 A 25 GLY CA C 13 45.627 0.000 A 25 GLY N N 15 111.227 0.000 A 26 TYR H H 1 7.951 0.000 A 26 TYR HA H 1 5.387 0.000 A 26 TYR HBx H 1 3.215 0.000 A 26 TYR HBy H 1 3.716 0.000 A 26 TYR HDx H 1 7.065 0.000 A 26 TYR HDy H 1 7.065 0.000 A 26 TYR HEx H 1 6.714 0.000 A 26 TYR HEy H 1 6.714 0.000 A 26 TYR CA C 13 55.006 0.000 A 26 TYR CB C 13 40.743 0.000 A 26 TYR CDx C 13 131.989 0.000 A 26 TYR CDy C 13 131.989 0.000 A 26 TYR CEx C 13 118.526 0.000 A 26 TYR CEy C 13 118.526 0.000 A 26 TYR N N 15 117.907 0.000 A 27 TYR H H 1 9.253 0.000 A 27 TYR HA H 1 5.358 0.000 A 27 TYR HBy H 1 3.554 0.000 A 27 TYR HBx H 1 3.342 0.000 A 27 TYR HDx H 1 7.399 0.000 A 27 TYR HDy H 1 7.399 0.000 A 27 TYR HEx H 1 7.140 0.000 A 27 TYR HEy H 1 7.140 0.000 A 27 TYR CA C 13 58.243 0.000 A 27 TYR CB C 13 41.412 0.000 A 27 TYR CDx C 13 133.359 0.000 A 27 TYR CDy C 13 133.359 0.000 A 27 TYR CEx C 13 119.381 0.000 A 27 TYR CEy C 13 119.381 0.000 A 27 TYR N N 15 116.474 0.000 A 28 TYR H H 1 9.686 0.000 A 28 TYR HA H 1 4.778 0.000 A 28 TYR HBx H 1 2.870 0.000 A 28 TYR HBy H 1 2.870 0.000 A 28 TYR HDx H 1 6.230 0.000 A 28 TYR HDy H 1 6.230 0.000 A 28 TYR HEx H 1 6.531 0.000 A 28 TYR HEy H 1 6.531 0.000 A 28 TYR CA C 13 56.983 0.000 A 28 TYR CB C 13 41.995 0.000 A 28 TYR CDx C 13 133.244 0.000 A 28 TYR CDy C 13 133.244 0.000 A 28 TYR CEx C 13 118.040 0.000 A 28 TYR CEy C 13 118.040 0.000 A 28 TYR N N 15 122.756 0.000 A 29 ASP H H 1 7.954 0.000 A 29 ASP HA H 1 4.752 0.000 A 29 ASP HBy H 1 2.583 0.000 A 29 ASP HBx H 1 1.310 0.000 A 29 ASP CA C 13 49.202 0.000 A 29 ASP CB C 13 42.165 0.000 A 29 ASP N N 15 125.994 0.000 A 30 PRO HA H 1 4.070 0.000 A 30 PRO HBy H 1 2.539 0.000 A 30 PRO HBx H 1 2.112 0.000 A 30 PRO HDy H 1 4.260 0.000 A 30 PRO HDx H 1 4.152 0.000 A 30 PRO HGx H 1 2.207 0.000 A 30 PRO HGy H 1 2.252 0.000 A 30 PRO CA C 13 63.608 0.000 A 30 PRO CB C 13 32.592 0.000 A 30 PRO CD C 13 51.027 0.000 A 30 PRO CG C 13 27.391 0.000 A 31 GLN H H 1 7.989 0.000 A 31 GLN HA H 1 4.232 0.000 A 31 GLN HBx H 1 2.348 0.000 A 31 GLN HBy H 1 2.348 0.000 A 31 GLN HE2x H 1 6.902 0.000 A 31 GLN HE2y H 1 7.770 0.000 A 31 GLN HGx H 1 2.555 0.000 A 31 GLN HGy H 1 2.555 0.000 A 31 GLN CA C 13 58.517 0.000 A 31 GLN CB C 13 29.305 0.000 A 31 GLN CG C 13 34.819 0.000 A 31 GLN N N 15 115.244 0.000 A 31 GLN NE2 N 15 111.517 0.000 A 32 THR H H 1 6.765 0.000 A 32 THR HA H 1 4.332 0.000 A 32 THR HB H 1 3.896 0.000 A 32 THR HG2% H 1 1.142 0.000 A 32 THR CA C 13 61.768 0.000 A 32 THR CB C 13 71.212 0.000 A 32 THR CG2 C 13 21.361 0.000 A 32 THR N N 15 104.641 0.000 A 33 GLY H H 1 8.439 0.000 A 33 GLY HAx H 1 3.648 0.000 A 33 GLY HAy H 1 4.140 0.000 A 33 GLY CA C 13 45.527 0.000 A 33 GLY N N 15 111.318 0.000 A 34 LEU H H 1 7.422 0.000 A 34 LEU HA H 1 4.601 0.000 A 34 LEU HBy H 1 1.752 0.000 A 34 LEU HBx H 1 1.470 0.000 A 34 LEU HDx% H 1 -0.033 0.000 A 34 LEU HDy% H 1 0.723 0.000 A 34 LEU HG H 1 1.257 0.000 A 34 LEU CA C 13 54.021 0.000 A 34 LEU CB C 13 44.529 0.000 A 34 LEU CDy C 13 23.906 0.000 A 34 LEU CDx C 13 23.128 0.000 A 34 LEU CG C 13 26.926 0.000 A 34 LEU N N 15 118.537 0.000 A 35 TYR H H 1 8.692 0.000 A 35 TYR HA H 1 5.522 0.000 A 35 TYR HBx H 1 3.138 0.000 A 35 TYR HBy H 1 3.250 0.000 A 35 TYR HDx H 1 7.448 0.000 A 35 TYR HDy H 1 7.448 0.000 A 35 TYR HEx H 1 6.953 0.000 A 35 TYR HEy H 1 6.953 0.000 A 35 TYR CA C 13 57.246 0.000 A 35 TYR CB C 13 40.876 0.000 A 35 TYR CDx C 13 133.862 0.000 A 35 TYR CDy C 13 133.862 0.000 A 35 TYR CEx C 13 119.109 0.000 A 35 TYR CEy C 13 119.109 0.000 A 35 TYR N N 15 116.166 0.000 A 36 TYR H H 1 9.745 0.000 A 36 TYR HA H 1 4.956 0.000 A 36 TYR HBx H 1 2.632 0.000 A 36 TYR HBy H 1 2.794 0.000 A 36 TYR HDx H 1 6.142 0.000 A 36 TYR HDy H 1 6.142 0.000 A 36 TYR HEx H 1 6.506 0.000 A 36 TYR HEy H 1 6.506 0.000 A 36 TYR CA C 13 56.977 0.000 A 36 TYR CB C 13 42.714 0.000 A 36 TYR CDx C 13 133.140 0.000 A 36 TYR CDy C 13 133.145 0.000 A 36 TYR CEx C 13 117.865 0.000 A 36 TYR CEy C 13 117.865 0.000 A 36 TYR N N 15 121.442 0.000 A 37 ASP H H 1 8.029 0.000 A 37 ASP HA H 1 5.241 0.000 A 37 ASP HBx H 1 2.279 0.000 A 37 ASP HBy H 1 3.020 0.000 A 37 ASP CA C 13 49.282 0.000 A 37 ASP CB C 13 42.859 0.000 A 37 ASP N N 15 127.129 0.000 A 38 PRO HA H 1 4.079 0.000 A 38 PRO HBy H 1 2.435 0.000 A 38 PRO HBx H 1 2.219 0.000 A 38 PRO HDx H 1 4.265 0.000 A 38 PRO HDy H 1 4.484 0.000 A 38 PRO HGx H 1 2.264 0.000 A 38 PRO HGy H 1 2.264 0.000 A 38 PRO CA C 13 63.729 0.000 A 38 PRO CB C 13 32.488 0.000 A 38 PRO CD C 13 51.224 0.000 A 38 PRO CG C 13 27.504 0.000 A 39 ASN H H 1 8.232 0.000 A 39 ASN HA H 1 4.678 0.000 A 39 ASN HBx H 1 2.955 0.000 A 39 ASN HBy H 1 3.132 0.000 A 39 ASN HD2x H 1 7.216 0.000 A 39 ASN HD2y H 1 8.106 0.000 A 39 ASN CA C 13 55.719 0.000 A 39 ASN CB C 13 38.987 0.000 A 39 ASN N N 15 115.838 0.000 A 39 ASN ND2 N 15 115.135 0.000 A 40 SER H H 1 7.371 0.000 A 40 SER HA H 1 4.346 0.000 A 40 SER HBy H 1 3.772 0.000 A 40 SER HBx H 1 3.701 0.000 A 40 SER CA C 13 58.832 0.000 A 40 SER CB C 13 64.576 0.000 A 40 SER N N 15 112.476 0.000 A 41 GLN H H 1 8.203 0.000 A 41 GLN HA H 1 3.780 0.000 A 41 GLN HBy H 1 2.594 0.000 A 41 GLN HBx H 1 2.572 0.000 A 41 GLN HE2x H 1 6.853 0.000 A 41 GLN HE2y H 1 7.532 0.000 A 41 GLN HGy H 1 2.397 0.000 A 41 GLN HGx H 1 2.264 0.000 A 41 GLN CA C 13 58.162 0.000 A 41 GLN CB C 13 25.977 0.000 A 41 GLN CG C 13 34.944 0.000 A 41 GLN N N 15 114.329 0.000 A 41 GLN NE2 N 15 111.677 0.000 A 42 TYR H H 1 7.621 0.000 A 42 TYR HA H 1 5.521 0.000 A 42 TYR HBy H 1 3.669 0.000 A 42 TYR HBx H 1 3.173 0.000 A 42 TYR HDx H 1 7.251 0.000 A 42 TYR HDy H 1 7.251 0.000 A 42 TYR HEx H 1 6.867 0.000 A 42 TYR HEy H 1 6.867 0.000 A 42 TYR CA C 13 56.636 0.000 A 42 TYR CB C 13 40.381 0.000 A 42 TYR CDx C 13 132.695 0.000 A 42 TYR CDy C 13 132.695 0.000 A 42 TYR CEx C 13 118.566 0.000 A 42 TYR CEy C 13 118.566 0.000 A 42 TYR N N 15 115.202 0.000 A 43 TYR H H 1 9.724 0.000 A 43 TYR HA H 1 5.695 0.000 A 43 TYR HBx H 1 2.974 0.000 A 43 TYR HBy H 1 3.042 0.000 A 43 TYR HDx H 1 7.338 0.000 A 43 TYR HDy H 1 7.338 0.000 A 43 TYR HEx H 1 7.031 0.000 A 43 TYR HEy H 1 7.031 0.000 A 43 TYR CA C 13 57.321 0.000 A 43 TYR CB C 13 41.858 0.000 A 43 TYR CDx C 13 133.983 0.000 A 43 TYR CDy C 13 133.983 0.000 A 43 TYR CEy C 13 118.576 0.000 A 43 TYR CEx C 13 118.572 0.000 A 43 TYR N N 15 118.608 0.000 A 44 TYR H H 1 9.594 0.000 A 44 TYR HA H 1 5.182 0.000 A 44 TYR HBy H 1 2.787 0.000 A 44 TYR HBx H 1 2.566 0.000 A 44 TYR HDx H 1 6.053 0.000 A 44 TYR HDy H 1 6.053 0.000 A 44 TYR HEx H 1 6.323 0.000 A 44 TYR HEy H 1 6.323 0.000 A 44 TYR CA C 13 56.548 0.000 A 44 TYR CB C 13 42.263 0.000 A 44 TYR CDx C 13 133.142 0.000 A 44 TYR CDy C 13 133.142 0.000 A 44 TYR CEx C 13 117.616 0.000 A 44 TYR CEy C 13 117.616 0.000 A 44 TYR N N 15 121.727 0.000 A 45 ASN H H 1 8.244 0.000 A 45 ASN HA H 1 5.005 0.000 A 45 ASN HBx H 1 2.221 0.000 A 45 ASN HBy H 1 3.119 0.000 A 45 ASN HD2x H 1 7.197 0.000 A 45 ASN HD2y H 1 7.255 0.000 A 45 ASN CA C 13 50.920 0.000 A 45 ASN CB C 13 39.271 0.000 A 45 ASN N N 15 125.423 0.000 A 45 ASN ND2 N 15 112.372 0.000 A 46 ALA H H 1 8.974 0.000 A 46 ALA HA H 1 3.777 0.000 A 46 ALA HB% H 1 1.595 0.000 A 46 ALA CA C 13 53.773 0.000 A 46 ALA CB C 13 19.155 0.000 A 46 ALA N N 15 126.039 0.000 A 47 GLN H H 1 8.349 0.000 A 47 GLN HA H 1 4.294 0.000 A 47 GLN HBy H 1 2.351 0.000 A 47 GLN HBx H 1 2.247 0.000 A 47 GLN HE2x H 1 7.545 0.000 A 47 GLN HGx H 1 2.533 0.000 A 47 GLN HGy H 1 2.533 0.000 A 47 GLN CA C 13 58.628 0.000 A 47 GLN CB C 13 28.523 0.000 A 47 GLN CG C 13 34.770 0.000 A 47 GLN N N 15 116.850 0.000 A 47 GLN NE2 N 15 111.616 0.000 A 48 SER H H 1 7.544 0.000 A 48 SER HA H 1 4.474 0.000 A 48 SER HBy H 1 3.951 0.000 A 48 SER HBx H 1 3.744 0.000 A 48 SER CA C 13 57.580 0.000 A 48 SER CB C 13 64.262 0.000 A 48 SER N N 15 111.872 0.000 A 49 GLN H H 1 7.969 0.000 A 49 GLN HA H 1 3.721 0.000 A 49 GLN HBy H 1 2.487 0.000 A 49 GLN HBx H 1 2.328 0.000 A 49 GLN HE2x H 1 6.810 0.000 A 49 GLN HE2y H 1 7.526 0.000 A 49 GLN HGx H 1 2.245 0.000 A 49 GLN HGy H 1 2.355 0.000 A 49 GLN CA C 13 57.175 0.000 A 49 GLN CB C 13 25.933 0.000 A 49 GLN CG C 13 34.650 0.000 A 49 GLN N N 15 118.063 0.000 A 49 GLN NE2 N 15 111.800 0.000 A 50 GLN H H 1 7.180 0.000 A 50 GLN HA H 1 4.819 0.000 A 50 GLN HBy H 1 2.037 0.000 A 50 GLN HBx H 1 1.791 0.000 A 50 GLN HE2y H 1 7.773 0.000 A 50 GLN HE2x H 1 7.029 0.000 A 50 GLN HGx H 1 2.395 0.000 A 50 GLN HGy H 1 2.395 0.000 A 50 GLN CA C 13 54.501 0.000 A 50 GLN CB C 13 33.410 0.000 A 50 GLN CG C 13 34.360 0.000 A 50 GLN N N 15 116.254 0.000 A 50 GLN NE2 N 15 112.306 0.000 A 51 TYR H H 1 8.931 0.000 A 51 TYR HA H 1 5.680 0.000 A 51 TYR HBx H 1 2.829 0.000 A 51 TYR HBy H 1 2.919 0.000 A 51 TYR HDx H 1 7.332 0.000 A 51 TYR HDy H 1 7.332 0.000 A 51 TYR HEx H 1 6.788 0.000 A 51 TYR HEy H 1 6.788 0.000 A 51 TYR CA C 13 58.170 0.000 A 51 TYR CB C 13 40.066 0.000 A 51 TYR CDx C 13 133.774 0.000 A 51 TYR CDy C 13 133.774 0.000 A 51 TYR CEx C 13 118.760 0.000 A 51 TYR CEy C 13 118.760 0.000 A 51 TYR N N 15 121.463 0.000 A 52 LEU H H 1 9.726 0.000 A 52 LEU HA H 1 5.548 0.000 A 52 LEU HBx H 1 1.618 0.000 A 52 LEU HBy H 1 1.705 0.000 A 52 LEU HDx% H 1 0.739 0.000 A 52 LEU HDy% H 1 1.585 0.000 A 52 LEU HG H 1 0.795 0.000 A 52 LEU CA C 13 54.433 0.000 A 52 LEU CB C 13 48.049 0.000 A 52 LEU CDx C 13 24.672 0.000 A 52 LEU CDy C 13 27.582 0.000 A 52 LEU CG C 13 27.302 0.000 A 52 LEU N N 15 122.429 0.000 A 53 TYR H H 1 9.533 0.000 A 53 TYR HA H 1 5.877 0.000 A 53 TYR HBy H 1 3.460 0.000 A 53 TYR HBx H 1 3.225 0.000 A 53 TYR HDx H 1 7.166 0.000 A 53 TYR HDy H 1 7.166 0.000 A 53 TYR HEx H 1 6.922 0.000 A 53 TYR HEy H 1 6.922 0.000 A 53 TYR CA C 13 55.717 0.000 A 53 TYR CB C 13 42.127 0.000 A 53 TYR CDx C 13 134.265 0.000 A 53 TYR CDy C 13 134.265 0.000 A 53 TYR CEx C 13 118.676 0.000 A 53 TYR CEy C 13 118.676 0.000 A 53 TYR N N 15 117.639 0.000 A 54 TRP H H 1 9.253 0.000 A 54 TRP HA H 1 4.506 0.000 A 54 TRP HBy H 1 3.362 0.000 A 54 TRP HBx H 1 3.021 0.000 A 54 TRP HD1 H 1 7.077 0.000 A 54 TRP HE1 H 1 10.188 0.000 A 54 TRP HE3 H 1 5.526 0.000 A 54 TRP HH2 H 1 6.860 0.000 A 54 TRP HZ2 H 1 7.246 0.000 A 54 TRP HZ3 H 1 6.245 0.000 A 54 TRP CA C 13 56.813 0.000 A 54 TRP CB C 13 30.348 0.000 A 54 TRP CD1 C 13 127.664 0.000 A 54 TRP CE3 C 13 121.943 0.000 A 54 TRP CH2 C 13 124.620 0.000 A 54 TRP CZ2 C 13 113.002 0.000 A 54 TRP CZ3 C 13 121.601 0.000 A 54 TRP N N 15 122.206 0.000 A 54 TRP NE1 N 15 127.239 0.000 A 55 ASP H H 1 8.031 0.000 A 55 ASP HA H 1 4.695 0.000 A 55 ASP HBx H 1 2.273 0.000 A 55 ASP HBy H 1 2.647 0.000 A 55 ASP CA C 13 51.883 0.000 A 55 ASP CB C 13 42.843 0.000 A 55 ASP N N 15 128.978 0.000 A 56 GLY H H 1 8.548 0.000 A 56 GLY HAx H 1 3.676 0.000 A 56 GLY HAy H 1 3.967 0.000 A 56 GLY CA C 13 46.775 0.000 A 56 GLY N N 15 111.521 0.000 A 57 GLU H H 1 8.188 0.000 A 57 GLU HA H 1 4.293 0.000 A 57 GLU HBx H 1 2.188 0.000 A 57 GLU HBy H 1 2.188 0.000 A 57 GLU HGy H 1 2.391 0.000 A 57 GLU HGx H 1 2.296 0.000 A 57 GLU CA C 13 58.318 0.000 A 57 GLU CB C 13 29.883 0.000 A 57 GLU CG C 13 36.570 0.000 A 57 GLU N N 15 120.202 0.000 A 58 ARG H H 1 7.636 0.000 A 58 ARG HA H 1 4.131 0.000 A 58 ARG HBx H 1 1.181 0.000 A 58 ARG HBy H 1 1.802 0.000 A 58 ARG HDx H 1 3.078 0.000 A 58 ARG HDy H 1 3.078 0.000 A 58 ARG HE H 1 7.217 0.000 A 58 ARG HGy H 1 1.691 0.000 A 58 ARG HGx H 1 1.619 0.000 A 58 ARG CA C 13 56.442 0.000 A 58 ARG CB C 13 31.887 0.000 A 58 ARG CD C 13 43.676 0.000 A 58 ARG CG C 13 28.196 0.000 A 58 ARG N N 15 116.912 0.000 A 58 ARG NE N 15 84.310 0.000 A 59 ARG H H 1 7.878 0.000 A 59 ARG HA H 1 3.237 0.000 A 59 ARG HBy H 1 2.239 0.000 A 59 ARG HBx H 1 2.132 0.000 A 59 ARG HDx H 1 3.357 0.000 A 59 ARG HDy H 1 3.357 0.000 A 59 ARG HE H 1 7.291 0.000 A 59 ARG HGx H 1 1.668 0.000 A 59 ARG HGy H 1 1.668 0.000 A 59 ARG HH2y H 1 10.188 0.000 A 59 ARG CA C 13 56.732 0.000 A 59 ARG CB C 13 26.634 0.000 A 59 ARG CD C 13 44.209 0.000 A 59 ARG CG C 13 27.918 0.000 A 59 ARG N N 15 116.563 0.000 A 59 ARG NE N 15 85.031 0.000 A 59 ARG NHy N 15 73.200 0.000 A 60 THR H H 1 6.591 0.000 A 60 THR HA H 1 4.516 0.000 A 60 THR HB H 1 4.032 0.000 A 60 THR HG2% H 1 0.836 0.000 A 60 THR CA C 13 60.050 0.000 A 60 THR CB C 13 69.758 0.000 A 60 THR CG2 C 13 19.335 0.000 A 60 THR N N 15 109.170 0.000 A 61 TYR H H 1 7.474 0.000 A 61 TYR HA H 1 5.075 0.000 A 61 TYR HBx H 1 2.628 0.000 A 61 TYR HBy H 1 2.628 0.000 A 61 TYR HDx H 1 6.411 0.000 A 61 TYR HDy H 1 6.411 0.000 A 61 TYR HEx H 1 5.794 0.000 A 61 TYR HEy H 1 5.794 0.000 A 61 TYR CA C 13 57.393 0.000 A 61 TYR CB C 13 40.381 0.000 A 61 TYR CDx C 13 132.677 0.000 A 61 TYR CDy C 13 132.677 0.000 A 61 TYR CEx C 13 119.116 0.000 A 61 TYR CEy C 13 119.116 0.000 A 61 TYR N N 15 120.491 0.000 A 62 VAL H H 1 9.176 0.000 A 62 VAL HA H 1 4.644 0.000 A 62 VAL HB H 1 1.509 0.000 A 62 VAL HGx% H 1 1.031 0.000 A 62 VAL HGy% H 1 0.738 0.000 A 62 VAL CA C 13 58.610 0.000 A 62 VAL CB C 13 34.418 0.000 A 62 VAL CGy C 13 21.361 0.000 A 62 VAL CGx C 13 21.082 0.000 A 62 VAL N N 15 123.115 0.000 A 63 PRO HA H 1 4.764 0.000 A 63 PRO HBy H 1 2.447 0.000 A 63 PRO HBx H 1 2.056 0.000 A 63 PRO HDx H 1 3.797 0.000 A 63 PRO HDy H 1 3.943 0.000 A 63 PRO HGy H 1 2.292 0.000 A 63 PRO HGx H 1 1.986 0.000 A 63 PRO CA C 13 63.641 0.000 A 63 PRO CB C 13 32.558 0.000 A 63 PRO CD C 13 51.131 0.000 A 63 PRO CG C 13 28.244 0.000 A 64 ALA H H 1 8.708 0.000 A 64 ALA HA H 1 4.645 0.000 A 64 ALA HB% H 1 1.292 0.000 A 64 ALA CA C 13 52.126 0.000 A 64 ALA CB C 13 19.752 0.000 A 64 ALA N N 15 126.032 0.000 A 65 LEU H H 1 8.469 0.000 A 65 LEU HA H 1 4.491 0.000 A 65 LEU HBx H 1 1.766 0.000 A 65 LEU HBy H 1 1.850 0.000 A 65 LEU HDx% H 1 1.060 0.000 A 65 LEU HDy% H 1 1.038 0.000 A 65 LEU HG H 1 1.782 0.000 A 65 LEU CA C 13 55.656 0.000 A 65 LEU CB C 13 42.638 0.000 A 65 LEU CDy C 13 25.238 0.000 A 65 LEU CDx C 13 23.763 0.000 A 65 LEU CG C 13 27.408 0.000 A 65 LEU N N 15 120.884 0.000 A 66 GLU H H 1 8.328 0.000 A 66 GLU HA H 1 4.546 0.000 A 66 GLU HBx H 1 2.090 0.000 A 66 GLU HBy H 1 2.168 0.000 A 66 GLU CA C 13 55.780 0.000 A 66 GLU CB C 13 33.027 0.000 A 66 GLU N N 15 115.912 0.000 A 67 GLN H H 1 8.478 0.000 A 67 GLN HA H 1 4.482 0.000 A 67 GLN HBy H 1 2.262 0.000 A 67 GLN HBx H 1 2.059 0.000 A 67 GLN HGx H 1 2.399 0.000 A 67 GLN HGy H 1 2.399 0.000 A 67 GLN CA C 13 55.771 0.000 A 67 GLN CB C 13 29.740 0.000 A 67 GLN CG C 13 33.904 0.000 A 67 GLN N N 15 120.380 0.000 A 68 SER H H 1 8.370 0.000 A 68 SER HA H 1 4.575 0.000 A 68 SER HBx H 1 3.976 0.000 A 68 SER HBy H 1 4.042 0.000 A 68 SER CA C 13 58.309 0.000 A 68 SER CB C 13 64.119 0.000 A 68 SER N N 15 116.287 0.000 A 69 ALA H H 1 8.533 0.000 A 69 ALA HA H 1 4.443 0.000 A 69 ALA HB% H 1 1.510 0.000 A 69 ALA CA C 13 52.982 0.000 A 69 ALA CB C 13 19.365 0.000 A 69 ALA N N 15 125.968 0.000 A 70 ASP H H 1 8.300 0.000 A 70 ASP HA H 1 4.682 0.000 A 70 ASP HBx H 1 2.793 0.000 A 70 ASP HBy H 1 2.793 0.000 A 70 ASP CA C 13 54.469 0.000 A 70 ASP CB C 13 41.379 0.000 A 70 ASP N N 15 118.262 0.000 A 71 GLY H H 1 8.291 0.000 A 71 GLY HAx H 1 4.016 0.000 A 71 GLY HAy H 1 4.016 0.000 A 71 GLY CA C 13 45.822 0.000 A 71 GLY N N 15 108.495 0.000 A 72 HIS H H 1 8.354 0.000 A 72 HIS HA H 1 4.767 0.000 A 72 HIS HBy H 1 3.353 0.000 A 72 HIS HBx H 1 3.278 0.000 A 72 HIS HD2 H 1 7.280 0.000 A 72 HIS CA C 13 55.846 0.000 A 72 HIS CB C 13 29.363 0.000 A 72 HIS CD2 C 13 120.544 0.000 A 72 HIS N N 15 118.240 0.000 A 73 LYS H H 1 8.457 0.000 A 73 LYS HA H 1 4.443 0.000 A 73 LYS HBx H 1 2.057 0.000 A 73 LYS HBy H 1 2.057 0.000 A 73 LYS HDx H 1 1.780 0.000 A 73 LYS HDy H 1 1.780 0.000 A 73 LYS HEx H 1 3.097 0.000 A 73 LYS HEy H 1 3.097 0.000 A 73 LYS HGx H 1 1.510 0.000 A 73 LYS HGy H 1 1.510 0.000 A 73 LYS CA C 13 56.601 0.000 A 73 LYS CB C 13 33.133 0.000 A 73 LYS CD C 13 29.298 0.000 A 73 LYS CE C 13 42.382 0.000 A 73 LYS CG C 13 24.953 0.000 A 73 LYS N N 15 121.591 0.000 A 74 GLU H H 1 8.669 0.000 A 74 GLU HA H 1 4.494 0.000 A 74 GLU HBy H 1 2.210 0.000 A 74 GLU HBx H 1 2.073 0.000 A 74 GLU CA C 13 56.565 0.000 A 74 GLU CB C 13 30.327 0.000 A 74 GLU N N 15 122.169 0.000 A 75 THR H H 1 8.313 0.000 A 75 THR HA H 1 4.463 0.000 A 75 THR HB H 1 4.348 0.000 A 75 THR HG2% H 1 1.300 0.000 A 75 THR CA C 13 61.998 0.000 A 75 THR CB C 13 69.901 0.000 A 75 THR CG2 C 13 21.776 0.000 A 75 THR N N 15 114.560 0.000 A 76 GLY H H 1 8.493 0.000 A 76 GLY HAx H 1 4.057 0.000 A 76 GLY HAy H 1 4.057 0.000 A 76 GLY CA C 13 45.394 0.000 A 76 GLY N N 15 110.986 0.000 A 77 ALA H H 1 8.025 0.000 A 77 ALA HA H 1 4.634 0.000 A 77 ALA HB% H 1 1.423 0.000 A 77 ALA CA C 13 50.611 0.000 A 77 ALA CB C 13 18.471 0.000 A 77 ALA N N 15 123.316 0.000 A 78 PRO HA H 1 4.728 0.000 A 78 PRO HDy H 1 3.812 0.000 A 78 PRO HDx H 1 3.653 0.000 A 78 PRO HGx H 1 2.041 0.000 A 78 PRO HGy H 1 2.041 0.000 A 78 PRO CA C 13 62.969 0.000 A 78 PRO CD C 13 50.406 0.000 A 78 PRO CG C 13 27.585 0.000 A 79 SER H H 1 8.627 0.000 A 79 SER HA H 1 4.543 0.000 A 79 SER HBx H 1 3.891 0.000 A 79 SER HBy H 1 3.915 0.000 A 79 SER CA C 13 58.548 0.000 A 79 SER CB C 13 63.972 0.000 A 79 SER N N 15 116.876 0.000 A 80 LYS H H 1 8.359 0.000 A 80 LYS HA H 1 4.397 0.000 A 80 LYS HBx H 1 1.869 0.000 A 80 LYS HBy H 1 1.968 0.000 A 80 LYS HDx H 1 1.790 0.000 A 80 LYS HDy H 1 1.790 0.000 A 80 LYS HGy H 1 1.554 0.000 A 80 LYS HGx H 1 1.518 0.000 A 80 LYS CA C 13 56.628 0.000 A 80 LYS CB C 13 33.268 0.000 A 80 LYS CD C 13 29.333 0.000 A 80 LYS CG C 13 24.941 0.000 A 80 LYS N N 15 122.282 0.000 A 81 GLU H H 1 8.521 0.000 A 81 GLU HA H 1 4.387 0.000 A 81 GLU HBx H 1 2.083 0.000 A 81 GLU HBy H 1 2.144 0.000 A 81 GLU CA C 13 56.773 0.000 A 81 GLU CB C 13 30.374 0.000 A 81 GLU N N 15 121.390 0.000 A 82 GLY H H 1 8.491 0.000 A 82 GLY HAx H 1 4.084 0.000 A 82 GLY HAy H 1 4.084 0.000 A 82 GLY CA C 13 45.733 0.000 A 82 GLY N N 15 109.657 0.000 A 83 LYS H H 1 8.237 0.000 A 83 LYS HA H 1 4.395 0.000 A 83 LYS HBx H 1 1.936 0.000 A 83 LYS HGx H 1 1.511 0.000 A 83 LYS CA C 13 56.900 0.000 A 83 LYS CB C 13 33.222 0.000 A 83 LYS CG C 13 24.967 0.000 A 83 LYS N N 15 120.424 0.000 A 84 GLU H H 1 8.571 0.000 A 84 GLU HA H 1 4.378 0.000 A 84 GLU HBy H 1 2.098 0.000 A 84 GLU HBx H 1 2.022 0.000 A 84 GLU HGx H 1 2.360 0.000 A 84 GLU HGy H 1 2.360 0.000 A 84 GLU CA C 13 56.735 0.000 A 84 GLU CB C 13 30.602 0.000 A 84 GLU CG C 13 36.448 0.000 A 84 GLU N N 15 120.758 0.000 A 85 LYS H H 1 8.558 0.000 A 85 LYS HA H 1 4.411 0.000 A 85 LYS HBx H 1 1.888 0.000 A 85 LYS HBy H 1 1.888 0.000 A 85 LYS HDx H 1 1.783 0.000 A 85 LYS HDy H 1 1.783 0.000 A 85 LYS HEx H 1 3.103 0.000 A 85 LYS HEy H 1 3.103 0.000 A 85 LYS HGx H 1 1.515 0.000 A 85 LYS HGy H 1 1.515 0.000 A 85 LYS CA C 13 56.321 0.000 A 85 LYS CB C 13 33.193 0.000 A 85 LYS CD C 13 29.222 0.000 A 85 LYS CE C 13 42.396 0.000 A 85 LYS CG C 13 24.914 0.000 A 85 LYS N N 15 122.155 0.000 A 86 LYS H H 1 8.397 0.000 A 86 LYS HA H 1 4.372 0.000 A 86 LYS HBx H 1 1.865 0.000 A 86 LYS HBy H 1 1.865 0.000 A 86 LYS HGx H 1 1.482 0.000 A 86 LYS HGy H 1 1.482 0.000 A 86 LYS CA C 13 56.669 0.000 A 86 LYS CB C 13 33.268 0.000 A 86 LYS CG C 13 24.936 0.000 A 86 LYS N N 15 122.185 0.000 A 87 GLU H H 1 8.175 0.000 A 87 GLU HA H 1 4.524 0.000 A 87 GLU HBx H 1 1.963 0.000 A 87 GLU HBy H 1 1.963 0.000 A 87 GLU HGx H 1 2.347 0.000 A 87 GLU HGy H 1 2.347 0.000 A 87 GLU CA C 13 58.257 0.000 A 87 GLU CB C 13 33.559 0.000 A 87 GLU CG C 13 36.443 0.000 A 87 GLU N N 15 124.443 0.000 A 89 HIS HA H 1 4.787 0.000 A 89 HIS HBy H 1 3.309 0.000 A 89 HIS HBx H 1 3.233 0.000 A 89 HIS HD2 H 1 7.249 0.000 A 89 HIS CA C 13 55.754 0.000 A 89 HIS CB C 13 30.327 0.000 A 89 HIS CD2 C 13 120.414 0.000 A 90 LYS H H 1 8.335 0.000 A 90 LYS HA H 1 4.397 0.000 A 90 LYS HBx H 1 1.878 0.000 A 90 LYS HBy H 1 1.878 0.000 A 90 LYS HGx H 1 1.540 0.000 A 90 LYS HGy H 1 1.540 0.000 A 90 LYS CA C 13 56.597 0.000 A 90 LYS CB C 13 33.222 0.000 A 90 LYS CG C 13 24.862 0.000 A 90 LYS N N 15 122.178 0.000 A 91 THR H H 1 8.047 0.000 A 91 THR HA H 1 4.453 0.000 A 91 THR HB H 1 4.365 0.000 A 91 THR HG2% H 1 1.322 0.000 A 91 THR CA C 13 61.956 0.000 A 91 THR CB C 13 69.916 0.000 A 91 THR CG2 C 13 21.889 0.000 A 91 THR N N 15 121.268 0.000 A 92 LYS H H 1 8.020 0.000 A 92 LYS HA H 1 4.281 0.000 A 92 LYS CA C 13 57.995 0.000 A 92 LYS N N 15 127.869 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 21 ASP H A 35 TYR HE% 1.0 . 5.50 2 2 A 55 ASP H A 57 GLU H 1.0 . 5.15 3 3 A 55 ASP H A 59 ARG H 1.0 . 5.17 4 4 A 55 ASP H A 60 THR H 1.0 . 4.07 5 5 A 55 ASP H A 55 ASP HBy 1.0 . 3.36 6 6 A 21 ASP H A 28 TYR H 1.0 . 4.77 7 7 A 21 ASP H A 22 GLU H 1.0 . 4.64 8 8 A 21 ASP H A 27 TYR HA 1.0 . 3.57 9 9 A 21 ASP H A 20 TYR HA 1.0 . 2.93 10 10 A 21 ASP H A 21 ASP HBy 1.0 . 3.34 11 11 A 21 ASP H A 20 TYR HBy 1.0 . 4.03 12 12 A 21 ASP H A 21 ASP HBx 1.0 . 3.52 13 13 A 21 ASP H A 35 TYR HD% 1.0 . 5.50 14 14 A 21 ASP H A 22 GLU HA 1.0 . 5.50 15 15 A 55 ASP H A 53 TYR HE% 1.0 . 5.50 16 16 A 55 ASP H A 54 TRP HE3 1.0 . 4.86 17 17 A 55 ASP H A 55 ASP HBx 1.0 . 3.59 18 18 A 55 ASP H A 56 GLY H 1.0 . 5.50 19 19 A 91 THR HA A 92 LYS H 1.0 . 3.38 20 20 A 56 GLY H A 54 TRP HE1 1.0 . 5.04 21 21 A 54 TRP HE1 A 56 GLY HAy 1.0 . 3.84 22 22 A 54 TRP HE1 A 56 GLY HAx 1.0 . 3.68 23 23 A 54 TRP HE1 A 13 PRO HDy 1.0 . 4.78 24 24 A 59 ARG HH2y A 59 ARG HGx 1.0 . 5.50 25 24 A 59 ARG HGy A 59 ARG HH2y 1.0 . 5.50 26 25 A 36 TYR HE% A 37 ASP H 1.0 . 5.30 27 26 A 37 ASP H A 43 TYR HD% 1.0 . 5.50 28 27 A 37 ASP H A 37 ASP HBy 1.0 . 3.33 29 28 A 37 ASP H A 36 TYR HBy 1.0 . 4.44 30 29 A 37 ASP H A 36 TYR HBx 1.0 . 5.13 31 30 A 37 ASP H A 42 TYR H 1.0 . 4.96 32 31 A 37 ASP H A 36 TYR H 1.0 . 5.01 33 32 A 21 ASP H A 20 TYR H 1.0 . 5.00 34 33 A 27 TYR HA A 20 TYR H 1.0 . 5.30 35 34 A 20 TYR H A 20 TYR HBy 1.0 . 3.08 36 35 A 20 TYR H A 19 GLN HBy 1.0 . 3.90 37 36 A 20 TYR H A 27 TYR HD% 1.0 . 5.27 38 37 A 20 TYR H A 20 TYR HD% 1.0 . 4.71 39 38 A 20 TYR H A 19 GLN HGx 1.0 . 4.65 40 38 A 20 TYR H A 19 GLN HGy 1.0 . 4.65 41 39 A 35 TYR HD% A 46 ALA H 1.0 . 5.12 42 40 A 46 ALA H A 34 LEU HA 1.0 . 5.11 43 41 A 46 ALA H A 45 ASN HBy 1.0 . 4.90 44 42 A 64 ALA H A 65 LEU HA 1.0 . 5.50 45 43 A 64 ALA H A 53 TYR H 1.0 . 4.73 46 44 A 64 ALA H A 65 LEU H 1.0 . 4.28 47 45 A 64 ALA H A 63 PRO HA 1.0 . 2.94 48 46 A 64 ALA H A 63 PRO HBy 1.0 . 4.15 49 47 A 35 TYR HE% A 29 ASP H 1.0 . 5.30 50 48 A 29 ASP H A 33 GLY H 1.0 . 5.48 51 49 A 46 ALA H A 44 TYR HE% 1.0 . 5.50 52 50 A 35 TYR HE% A 46 ALA H 1.0 . 5.11 53 51 A 46 ALA H A 45 ASN HBx 1.0 . 4.62 54 52 A 46 ALA H A 47 GLN HA 1.0 . 5.50 55 53 A 68 SER HA A 69 ALA H 1.0 . 3.25 56 54 A 69 ALA H A 68 SER HBy 1.0 . 4.13 57 55 A 69 ALA H A 69 ALA HB% 1.0 . 3.81 58 56 A 29 ASP H A 35 TYR HA 1.0 . 3.83 59 57 A 29 ASP H A 28 TYR HA 1.0 . 2.90 60 58 A 29 ASP H A 30 PRO HDx 1.0 . 5.50 61 59 A 29 ASP H A 29 ASP HBy 1.0 . 3.27 62 60 A 29 ASP H A 29 ASP HBx 1.0 . 3.51 63 61 A 29 ASP H A 28 TYR HBx 1.0 . 3.97 64 61 A 29 ASP H A 28 TYR HBy 1.0 . 3.97 65 62 A 29 ASP H A 28 TYR HE% 1.0 . 5.50 66 63 A 45 ASN H A 50 GLN HBy 1.0 . 5.50 67 64 A 45 ASN H A 50 GLN HBx 1.0 . 5.50 68 65 A 45 ASN H A 49 GLN H 1.0 . 5.50 69 66 A 45 ASN H A 50 GLN H 1.0 . 4.07 70 67 A 45 ASN H A 49 GLN HA 1.0 . 5.50 71 68 A 45 ASN H A 44 TYR HBx 1.0 . 5.50 72 69 A 46 ALA H A 45 ASN H 1.0 . 4.79 73 70 A 45 ASN H A 44 TYR HBy 1.0 . 4.67 74 71 A 45 ASN HBx A 45 ASN H 1.0 . 3.66 75 72 A 45 ASN H A 52 LEU HDy% 1.0 . 5.50 76 73 A 44 TYR HE% A 45 ASN H 1.0 . 5.50 77 74 A 45 ASN H A 52 LEU H 1.0 . 5.39 78 75 A 22 GLU H A 25 GLY H 1.0 . 5.50 79 76 A 22 GLU H A 21 ASP HA 1.0 . 2.68 80 77 A 22 GLU H A 23 THR HB 1.0 . 5.44 81 78 A 22 GLU H A 21 ASP HBy 1.0 . 4.61 82 79 A 22 GLU H A 20 TYR HBx 1.0 . 5.50 83 80 A 22 GLU H A 22 GLU HGx 1.0 . 3.47 84 80 A 22 GLU H A 22 GLU HGy 1.0 . 3.47 85 81 A 22 GLU H A 22 GLU HBx 1.0 . 2.84 86 81 A 22 GLU H A 22 GLU HBy 1.0 . 2.84 87 82 A 22 GLU H A 23 THR HG2% 1.0 . 5.50 88 83 A 87 GLU H A 87 GLU HGx 1.0 . 5.50 89 83 A 87 GLU H A 87 GLU HGy 1.0 . 5.50 90 84 A 53 TYR HE% A 62 VAL H 1.0 . 5.50 91 85 A 62 VAL H A 63 PRO HDy 1.0 . 5.50 92 86 A 5 GLU H A 6 SER HBx 1.0 . 5.50 93 87 A 62 VAL H A 63 PRO HDx 1.0 . 5.50 94 88 A 53 TYR H A 62 VAL H 1.0 . 3.85 95 89 A 55 ASP H A 62 VAL H 1.0 . 5.42 96 90 A 62 VAL H A 61 TYR H 1.0 . 5.12 97 91 A 62 VAL H A 61 TYR HD% 1.0 . 5.43 98 92 A 62 VAL H A 54 TRP HA 1.0 . 4.75 99 93 A 62 VAL H A 61 TYR HBx 1.0 . 4.01 100 93 A 62 VAL H A 61 TYR HBy 1.0 . 4.01 101 94 A 62 VAL H A 52 LEU HBy 1.0 . 4.71 102 95 A 62 VAL H A 52 LEU HA 1.0 . 5.04 103 96 A 28 TYR H A 18 TYR HD% 1.0 . 5.45 104 97 A 28 TYR H A 20 TYR HD% 1.0 . 5.50 105 98 A 28 TYR H A 29 ASP H 1.0 . 5.36 106 99 A 28 TYR H A 28 TYR HD% 1.0 . 4.93 107 100 A 28 TYR H A 20 TYR HA 1.0 . 4.20 108 101 A 28 TYR H A 27 TYR HBx 1.0 . 3.76 109 102 A 28 TYR H A 28 TYR HBx 1.0 . 3.19 110 102 A 28 TYR H A 28 TYR HBy 1.0 . 3.19 111 103 A 28 TYR H A 19 GLN HBx 1.0 . 4.65 112 104 A 28 TYR H A 18 TYR HA 1.0 . 5.50 113 105 A 28 TYR H A 35 TYR HA 1.0 . 5.00 114 106 A 52 LEU H A 51 TYR HD% 1.0 . 5.17 115 107 A 64 ALA H A 52 LEU H 1.0 . 5.50 116 108 A 52 LEU H A 42 TYR HBy 1.0 . 5.39 117 109 A 55 ASP H A 54 TRP H 1.0 . 5.50 118 110 A 80 LYS H A 80 LYS HBx 1.0 . 3.36 119 111 A 53 TYR H A 54 TRP H 1.0 . 5.15 120 112 A 61 TYR HD% A 54 TRP H 1.0 . 5.50 121 113 A 73 LYS HA A 74 GLU H 1.0 . 2.98 122 114 A 74 GLU H A 74 GLU HBy 1.0 . 4.02 123 115 A 74 GLU H A 74 GLU HBx 1.0 . 3.61 124 116 A 74 GLU H A 73 LYS HGx 1.0 . 5.49 125 116 A 74 GLU H A 73 LYS HGy 1.0 . 5.49 126 117 A 83 LYS H A 86 LYS H 1.0 . 5.50 127 118 A 86 LYS H A 85 LYS HGx 1.0 . 4.98 128 118 A 86 LYS H A 85 LYS HGy 1.0 . 4.98 129 119 A 80 LYS H A 81 GLU H 1.0 . 4.06 130 120 A 90 LYS H A 90 LYS HBx 1.0 . 3.57 131 120 A 90 LYS H A 90 LYS HBy 1.0 . 3.57 132 121 A 90 LYS H A 90 LYS HGx 1.0 . 4.32 133 121 A 90 LYS H A 90 LYS HGy 1.0 . 4.32 134 122 A 80 LYS H A 84 GLU HBy 1.0 . 5.50 135 123 A 54 TRP H A 61 TYR HA 1.0 . 5.50 136 124 A 86 LYS H A 85 LYS H 1.0 . 4.44 137 125 A 10 TYR H A 54 TRP HZ3 1.0 . 5.50 138 126 A 85 LYS H A 84 GLU HGx 1.0 . 4.33 139 126 A 85 LYS H A 84 GLU HGy 1.0 . 4.33 140 127 A 10 TYR H A 59 ARG HBx 1.0 . 3.57 141 128 A 36 TYR H A 44 TYR H 1.0 . 5.21 142 129 A 44 TYR H A 43 TYR HBy 1.0 . 3.88 143 130 A 44 TYR HBx A 44 TYR H 1.0 . 3.87 144 131 A 44 TYR H A 34 LEU HBx 1.0 . 4.73 145 132 A 44 TYR H A 34 LEU HDx% 1.0 . 5.50 146 133 A 43 TYR HD% A 44 TYR H 1.0 . 4.87 147 134 A 10 TYR H A 9 GLN HE2x 1.0 . 5.50 148 135 A 45 ASN H A 44 TYR H 1.0 . 5.50 149 136 A 34 LEU HA A 44 TYR H 1.0 . 5.44 150 137 A 51 TYR H A 51 TYR HE% 1.0 . 5.50 151 138 A 52 LEU H A 51 TYR H 1.0 . 5.50 152 139 A 73 LYS H A 73 LYS HGx 1.0 . 5.50 153 139 A 73 LYS HGy A 73 LYS H 1.0 . 5.50 154 140 A 73 LYS H A 73 LYS HBx 1.0 . 3.52 155 140 A 73 LYS H A 73 LYS HBy 1.0 . 3.52 156 141 A 36 TYR H A 18 TYR HE% 1.0 . 5.50 157 142 A 36 TYR H A 43 TYR HA 1.0 . 5.50 158 143 A 36 TYR H A 29 ASP H 1.0 . 4.90 159 144 A 36 TYR H A 27 TYR H 1.0 . 3.81 160 145 A 36 TYR H A 26 TYR HD% 1.0 . 5.50 161 146 A 36 TYR H A 36 TYR HD% 1.0 . 4.93 162 147 A 36 TYR H A 35 TYR HA 1.0 . 3.13 163 148 A 36 TYR H A 28 TYR HA 1.0 . 4.42 164 149 A 36 TYR HBx A 36 TYR H 1.0 . 3.64 165 150 A 50 GLN H A 51 TYR H 1.0 . 4.89 166 151 A 51 TYR H A 44 TYR HD% 1.0 . 5.50 167 152 A 51 TYR H A 64 ALA HB% 1.0 . 5.41 168 153 A 51 TYR H A 50 GLN HE2x 1.0 . 4.90 169 154 A 51 TYR H A 50 GLN HA 1.0 . 2.93 170 155 A 51 TYR H A 51 TYR HBy 1.0 . 3.40 171 156 A 81 GLU H A 84 GLU HBy 1.0 . 3.79 172 157 A 36 TYR H A 29 ASP HBx 1.0 . 5.50 173 158 A 81 GLU H A 79 SER HA 1.0 . 3.51 174 159 A 7 TYR H A 7 TYR HD% 1.0 . 4.04 175 160 A 7 TYR H A 6 SER HA 1.0 . 3.03 176 161 A 7 TYR H A 7 TYR HBy 1.0 . 3.89 177 162 A 7 TYR H A 7 TYR HBx 1.0 . 3.55 178 163 A 9 GLN H A 9 GLN HA 1.0 . 2.78 179 164 A 9 GLN H A 9 GLN HGx 1.0 . 3.62 180 164 A 9 GLN H A 9 GLN HGy 1.0 . 3.62 181 165 A 9 GLN H A 9 GLN HBx 1.0 . 3.23 182 166 A 53 TYR HE% A 65 LEU H 1.0 . 5.23 183 167 A 65 LEU H A 64 ALA HB% 1.0 . 3.73 184 168 A 15 VAL H A 17 THR H 1.0 . 5.50 185 169 A 15 VAL HGx% A 18 TYR H 1.0 . 5.50 186 170 A 18 TYR H A 19 GLN H 1.0 . 4.92 187 171 A 18 TYR H A 16 SER H 1.0 . 5.24 188 172 A 18 TYR H A 18 TYR HBx 1.0 . 3.25 189 173 A 18 TYR H A 15 VAL HA 1.0 . 4.54 190 174 A 86 LYS H A 84 GLU H 1.0 . 4.39 191 175 A 84 GLU H A 82 GLY HAx 1.0 . 5.32 192 175 A 84 GLU H A 82 GLY HAy 1.0 . 5.32 193 176 A 65 LEU H A 53 TYR HD% 1.0 . 5.50 194 177 A 84 GLU H A 83 LYS HGx 1.0 . 5.50 195 178 A 83 LYS H A 84 GLU H 1.0 . 4.65 196 179 A 79 SER HA A 84 GLU H 1.0 . 5.50 197 180 A 84 GLU HBy A 84 GLU H 1.0 . 3.47 198 181 A 65 LEU H A 63 PRO HBx 1.0 . 3.38 199 182 A 14 ASP H A 14 ASP HBy 1.0 . 3.31 200 183 A 14 ASP H A 14 ASP HBx 1.0 . 3.43 201 184 A 14 ASP H A 13 PRO HBy 1.0 . 3.98 202 185 A 83 LYS H A 81 GLU H 1.0 . 4.16 203 186 A 12 VAL H A 13 PRO HA 1.0 . 5.11 204 187 A 55 ASP H A 61 TYR H 1.0 . 5.50 205 188 A 61 TYR H A 10 TYR HE% 1.0 . 5.50 206 189 A 61 TYR H A 61 TYR HE% 1.0 . 5.50 207 190 A 61 TYR H A 60 THR HA 1.0 . 3.38 208 191 A 61 TYR H A 60 THR HB 1.0 . 4.25 209 192 A 61 TYR H A 61 TYR HBx 1.0 . 3.53 210 192 A 61 TYR H A 61 TYR HBy 1.0 . 3.53 211 193 A 66 GLU H A 67 GLN H 1.0 . 4.08 212 194 A 67 GLN H A 67 GLN HA 1.0 . 2.77 213 195 A 67 GLN H A 67 GLN HGx 1.0 . 3.71 214 195 A 67 GLN H A 67 GLN HGy 1.0 . 3.71 215 196 A 67 GLN H A 66 GLU HBx 1.0 . 3.11 216 197 A 83 LYS H A 82 GLY HAx 1.0 . 3.49 217 197 A 83 LYS H A 82 GLY HAy 1.0 . 3.49 218 198 A 83 LYS H A 83 LYS HGx 1.0 . 4.62 219 199 A 83 LYS H A 79 SER HA 1.0 . 5.50 220 200 A 12 VAL H A 54 TRP HZ2 1.0 . 5.50 221 201 A 12 VAL H A 54 TRP HH2 1.0 . 5.50 222 202 A 12 VAL H A 11 PRO HBx 1.0 . 3.69 223 202 A 12 VAL H A 11 PRO HBy 1.0 . 3.69 224 203 A 12 VAL H A 12 VAL HB 1.0 . 2.85 225 204 A 60 THR H A 61 TYR H 1.0 . 5.50 226 205 A 57 GLU H A 58 ARG HBx 1.0 . 5.03 227 206 A 57 GLU H A 58 ARG HA 1.0 . 5.39 228 207 A 57 GLU H A 58 ARG HGy 1.0 . 4.46 229 208 A 57 GLU H A 59 ARG HA 1.0 . 5.50 230 209 A 57 GLU H A 56 GLY H 1.0 . 3.54 231 210 A 57 GLU H A 59 ARG H 1.0 . 4.20 232 211 A 57 GLU H A 58 ARG H 1.0 . 2.97 233 212 A 57 GLU H A 55 ASP HA 1.0 . 4.38 234 213 A 57 GLU H A 58 ARG HDx 1.0 . 5.50 235 213 A 57 GLU H A 58 ARG HDy 1.0 . 5.50 236 214 A 57 GLU H A 57 GLU HBx 1.0 . 2.81 237 214 A 57 GLU H A 57 GLU HBy 1.0 . 2.81 238 215 A 28 TYR HD% A 19 GLN H 1.0 . 5.50 239 216 A 28 TYR H A 19 GLN H 1.0 . 3.86 240 217 A 19 GLN H A 29 ASP HA 1.0 . 4.73 241 218 A 30 PRO HDx A 19 GLN H 1.0 . 4.80 242 219 A 19 GLN H A 18 TYR HBy 1.0 . 3.51 243 220 A 19 GLN H A 28 TYR HBx 1.0 . 4.46 244 220 A 28 TYR HBy A 19 GLN H 1.0 . 4.46 245 221 A 19 GLN HBx A 19 GLN H 1.0 . 3.41 246 222 A 43 TYR H A 52 LEU HBx 1.0 . 5.29 247 223 A 43 TYR H A 42 TYR HBx 1.0 . 4.39 248 224 A 34 LEU H A 35 TYR H 1.0 . 5.10 249 225 A 34 LEU H A 32 THR H 1.0 . 4.09 250 226 A 34 LEU H A 32 THR HB 1.0 . 3.84 251 227 A 34 LEU HBx A 34 LEU H 1.0 . 3.89 252 228 A 33 GLY H A 34 LEU H 1.0 . 3.22 253 229 A 29 ASP H A 34 LEU H 1.0 . 4.40 254 230 A 34 LEU H A 34 LEU HBy 1.0 . 3.33 255 231 A 34 LEU H A 34 LEU HG 1.0 . 3.35 256 232 A 34 LEU HDx% A 34 LEU H 1.0 . 4.33 257 233 A 72 HIS H A 72 HIS HBx 1.0 . 4.03 258 234 A 69 ALA HA A 70 ASP H 1.0 . 3.30 259 235 A 70 ASP H A 71 GLY HAx 1.0 . 4.59 260 235 A 70 ASP H A 71 GLY HAy 1.0 . 4.59 261 236 A 70 ASP H A 70 ASP HBx 1.0 . 3.29 262 236 A 70 ASP H A 70 ASP HBy 1.0 . 3.29 263 237 A 49 GLN H A 46 ALA HB% 1.0 . 5.07 264 238 A 49 GLN H A 48 SER H 1.0 . 3.06 265 239 A 49 GLN H A 50 GLN H 1.0 . 3.38 266 240 A 44 TYR HE% A 49 GLN H 1.0 . 4.97 267 241 A 49 GLN H A 48 SER HBy 1.0 . 4.46 268 242 A 49 GLN H A 49 GLN HA 1.0 . 2.74 269 243 A 49 GLN H A 49 GLN HBy 1.0 . 3.97 270 244 A 49 GLN H A 49 GLN HGy 1.0 . 3.51 271 245 A 50 GLN HBx A 49 GLN H 1.0 . 5.33 272 246 A 46 ALA H A 49 GLN H 1.0 . 5.50 273 247 A 47 GLN HA A 49 GLN H 1.0 . 4.61 274 248 A 27 TYR H A 26 TYR H 1.0 . 5.13 275 249 A 25 GLY H A 26 TYR H 1.0 . 3.09 276 250 A 21 ASP H A 26 TYR H 1.0 . 4.23 277 251 A 26 TYR H A 26 TYR HBx 1.0 . 3.25 278 252 A 53 TYR H A 63 PRO HA 1.0 . 4.95 279 253 A 53 TYR H A 62 VAL HA 1.0 . 5.50 280 254 A 53 TYR H A 61 TYR HBx 1.0 . 5.33 281 254 A 53 TYR H A 61 TYR HBy 1.0 . 5.33 282 255 A 53 TYR H A 62 VAL HGx% 1.0 . 5.50 283 256 A 53 TYR H A 62 VAL HGy% 1.0 . 4.49 284 257 A 60 THR H A 58 ARG H 1.0 . 5.50 285 258 A 8 SER H A 8 SER HBx 1.0 . 3.38 286 258 A 8 SER H A 8 SER HBy 1.0 . 3.38 287 259 A 7 TYR HBy A 8 SER H 1.0 . 4.37 288 260 A 7 TYR HBx A 8 SER H 1.0 . 4.15 289 261 A 45 ASN HD2x A 47 GLN H 1.0 . 5.49 290 262 A 47 GLN H A 34 LEU HDy% 1.0 . 5.50 291 263 A 49 GLN H A 47 GLN H 1.0 . 3.91 292 264 A 47 GLN H A 45 ASN HA 1.0 . 4.13 293 265 A 47 GLN H A 47 GLN HBy 1.0 . 3.04 294 266 A 16 SER H A 16 SER HBx 1.0 . 3.09 295 267 A 16 SER H A 15 VAL HB 1.0 . 4.40 296 268 A 16 SER H A 17 THR HG2% 1.0 . 4.76 297 269 A 15 VAL HGx% A 16 SER H 1.0 . 4.11 298 270 A 16 SER H A 15 VAL HGy% 1.0 . 4.92 299 271 A 59 ARG HA A 58 ARG H 1.0 . 4.89 300 272 A 58 ARG HGy A 58 ARG H 1.0 . 3.68 301 273 A 46 ALA H A 47 GLN H 1.0 . 3.24 302 274 A 59 ARG H A 58 ARG H 1.0 . 3.27 303 275 A 59 ARG H A 54 TRP HZ2 1.0 . 5.46 304 276 A 59 ARG H A 54 TRP HH2 1.0 . 5.50 305 277 A 59 ARG H A 60 THR H 1.0 . 3.58 306 278 A 59 ARG H A 55 ASP HBy 1.0 . 5.18 307 279 A 59 ARG H A 60 THR HG2% 1.0 . 5.50 308 280 A 59 ARG H A 57 GLU HBx 1.0 . 4.49 309 280 A 59 ARG H A 57 GLU HBy 1.0 . 4.49 310 281 A 59 ARG H A 59 ARG HGx 1.0 . 3.73 311 281 A 59 ARG H A 59 ARG HGy 1.0 . 3.73 312 282 A 59 ARG H A 58 ARG HBx 1.0 . 4.17 313 283 A 20 TYR HD% A 27 TYR H 1.0 . 5.50 314 284 A 27 TYR H A 36 TYR HD% 1.0 . 5.32 315 285 A 27 TYR H A 26 TYR HA 1.0 . 3.03 316 286 A 27 TYR H A 38 PRO HDy 1.0 . 5.21 317 287 A 27 TYR H A 26 TYR HBy 1.0 . 3.33 318 288 A 27 TYR H A 27 TYR HBy 1.0 . 3.52 319 289 A 27 TYR HBx A 27 TYR H 1.0 . 3.86 320 290 A 27 TYR H A 26 TYR HBx 1.0 . 3.66 321 291 A 36 TYR HBx A 27 TYR H 1.0 . 4.51 322 292 A 20 TYR HA A 27 TYR H 1.0 . 5.50 323 293 A 59 ARG H A 57 GLU HA 1.0 . 5.50 324 294 A 50 GLN H A 51 TYR HA 1.0 . 5.50 325 295 A 69 ALA H A 68 SER H 1.0 . 3.94 326 296 A 67 GLN HA A 68 SER H 1.0 . 3.12 327 297 A 68 SER H A 67 GLN HBy 1.0 . 4.60 328 298 A 68 SER H A 67 GLN HBx 1.0 . 4.74 329 299 A 50 GLN H A 49 GLN HA 1.0 . 3.53 330 300 A 45 ASN HBy A 50 GLN H 1.0 . 3.99 331 301 A 45 ASN HBx A 50 GLN H 1.0 . 4.57 332 302 A 50 GLN H A 48 SER H 1.0 . 4.93 333 303 A 50 GLN H A 52 LEU HDy% 1.0 . 5.50 334 304 A 43 TYR HA A 35 TYR H 1.0 . 5.50 335 305 A 34 LEU HDx% A 35 TYR H 1.0 . 5.20 336 306 A 36 TYR H A 35 TYR H 1.0 . 5.11 337 307 A 44 TYR H A 35 TYR H 1.0 . 3.95 338 308 A 35 TYR H A 45 ASN HA 1.0 . 4.98 339 309 A 35 TYR H A 35 TYR HBy 1.0 . 3.55 340 310 A 44 TYR HBx A 35 TYR H 1.0 . 4.64 341 311 A 35 TYR H A 34 LEU HBy 1.0 . 4.14 342 312 A 34 LEU HBx A 35 TYR H 1.0 . 3.71 343 313 A 50 GLN H A 51 TYR HD% 1.0 . 5.37 344 314 A 50 GLN H A 48 SER HBy 1.0 . 5.22 345 315 A 50 GLN H A 52 LEU HDx% 1.0 . 5.50 346 316 A 44 TYR HE% A 50 GLN H 1.0 . 5.18 347 317 A 38 PRO HDy A 39 ASN H 1.0 . 3.75 348 318 A 39 ASN H A 39 ASN HD2x 1.0 . 4.78 349 319 A 39 ASN H A 38 PRO HDx 1.0 . 4.41 350 320 A 39 ASN H A 39 ASN HBy 1.0 . 3.37 351 321 A 39 ASN H A 38 PRO HBy 1.0 . 4.44 352 322 A 39 ASN H A 38 PRO HGx 1.0 . 3.44 353 322 A 39 ASN H A 38 PRO HGy 1.0 . 3.44 354 323 A 6 SER H A 5 GLU HBx 1.0 . 4.96 355 323 A 5 GLU HBy A 6 SER H 1.0 . 4.96 356 324 A 6 SER H A 5 GLU HGx 1.0 . 5.27 357 324 A 6 SER H A 5 GLU HGy 1.0 . 5.27 358 325 A 39 ASN HD2y A 38 PRO HGx 1.0 . 4.96 359 325 A 38 PRO HGy A 39 ASN HD2y 1.0 . 4.96 360 326 A 18 TYR HA A 31 GLN H 1.0 . 5.50 361 327 A 33 GLY H A 31 GLN H 1.0 . 4.01 362 328 A 32 THR H A 31 GLN H 1.0 . 3.08 363 329 A 29 ASP HA A 31 GLN H 1.0 . 4.53 364 330 A 31 GLN H A 31 GLN HBx 1.0 . 2.73 365 330 A 31 GLN H A 31 GLN HBy 1.0 . 2.73 366 331 A 42 TYR H A 43 TYR H 1.0 . 4.75 367 332 A 42 TYR H A 41 GLN H 1.0 . 3.26 368 333 A 42 TYR H A 40 SER HA 1.0 . 4.96 369 334 A 42 TYR H A 41 GLN HA 1.0 . 3.38 370 335 A 42 TYR H A 42 TYR HBx 1.0 . 3.34 371 336 A 42 TYR H A 42 TYR HD% 1.0 . 4.36 372 337 A 38 PRO HDy A 39 ASN HD2y 1.0 . 5.50 373 338 A 39 ASN HBy A 39 ASN HD2y 1.0 . 3.48 374 339 A 42 TYR H A 41 GLN HBx 1.0 . 4.52 375 339 A 42 TYR H A 41 GLN HBy 1.0 . 4.52 376 340 A 39 ASN HD2x A 39 ASN HBy 1.0 . 4.00 377 341 A 39 ASN HD2x A 38 PRO HGx 1.0 . 5.26 378 341 A 39 ASN HD2x A 38 PRO HGy 1.0 . 5.26 379 342 A 31 GLN H A 33 GLY HAx 1.0 . 5.50 380 343 A 39 ASN HD2x A 39 ASN HA 1.0 . 5.50 381 344 A 74 GLU H A 75 THR H 1.0 . 5.24 382 345 A 74 GLU HBy A 75 THR H 1.0 . 5.18 383 346 A 74 GLU HBx A 75 THR H 1.0 . 5.33 384 347 A 75 THR H A 76 GLY H 1.0 . 4.39 385 348 A 41 GLN H A 39 ASN HA 1.0 . 5.50 386 349 A 36 TYR HE% A 41 GLN H 1.0 . 4.98 387 350 A 41 GLN H A 41 GLN HA 1.0 . 2.82 388 351 A 37 ASP HBy A 41 GLN H 1.0 . 5.03 389 352 A 41 GLN H A 41 GLN HBx 1.0 . 3.82 390 352 A 41 GLN H A 41 GLN HBy 1.0 . 3.82 391 353 A 41 GLN H A 41 GLN HGy 1.0 . 4.13 392 354 A 41 GLN H A 41 GLN HGx 1.0 . 3.90 393 355 A 21 ASP HBy A 24 SER H 1.0 . 4.77 394 356 A 23 THR HG2% A 24 SER H 1.0 . 4.59 395 357 A 22 GLU H A 24 SER H 1.0 . 5.02 396 358 A 24 SER H A 22 GLU HBx 1.0 . 5.50 397 358 A 22 GLU HBy A 24 SER H 1.0 . 5.50 398 359 A 24 SER H A 24 SER HBy 1.0 . 3.41 399 360 A 21 ASP HBx A 24 SER H 1.0 . 4.97 400 361 A 36 TYR HE% A 40 SER H 1.0 . 5.50 401 362 A 39 ASN H A 40 SER H 1.0 . 2.72 402 363 A 42 TYR H A 40 SER H 1.0 . 5.04 403 364 A 40 SER H A 40 SER HBy 1.0 . 3.23 404 365 A 40 SER H A 38 PRO HGx 1.0 . 4.34 405 365 A 38 PRO HGy A 40 SER H 1.0 . 4.34 406 366 A 22 GLU H A 23 THR H 1.0 . 3.23 407 367 A 25 GLY H A 23 THR H 1.0 . 4.15 408 368 A 24 SER H A 23 THR H 1.0 . 3.06 409 369 A 21 ASP HBy A 23 THR H 1.0 . 5.50 410 370 A 23 THR H A 22 GLU HGx 1.0 . 4.10 411 370 A 22 GLU HGy A 23 THR H 1.0 . 4.10 412 371 A 23 THR H A 22 GLU HBx 1.0 . 3.46 413 371 A 22 GLU HBy A 23 THR H 1.0 . 3.46 414 372 A 34 LEU HDy% A 45 ASN HD2y 1.0 . 4.76 415 373 A 48 SER H A 45 ASN HD2y 1.0 . 3.88 416 374 A 45 ASN HD2x A 45 ASN HA 1.0 . 5.50 417 375 A 48 SER H A 45 ASN HD2x 1.0 . 3.96 418 376 A 50 GLN HA A 45 ASN HD2x 1.0 . 4.84 419 377 A 45 ASN HD2x A 34 LEU HDy% 1.0 . 4.74 420 378 A 50 GLN H A 50 GLN HE2y 1.0 . 4.54 421 379 A 50 GLN HA A 50 GLN HE2y 1.0 . 4.93 422 380 A 50 GLN HE2y A 50 GLN HGx 1.0 . 3.63 423 380 A 50 GLN HE2y A 50 GLN HGy 1.0 . 3.63 424 381 A 50 GLN HE2x A 45 ASN HD2x 1.0 . 5.44 425 382 A 49 GLN H A 50 GLN HE2x 1.0 . 4.83 426 383 A 50 GLN HE2x A 50 GLN HGx 1.0 . 3.79 427 383 A 50 GLN HE2x A 50 GLN HGy 1.0 . 3.79 428 384 A 50 GLN HBy A 50 GLN HE2x 1.0 . 4.80 429 385 A 48 SER HBy A 50 GLN HE2y 1.0 . 5.50 430 386 A 9 GLN HE2y A 9 GLN HGx 1.0 . 3.45 431 386 A 9 GLN HGy A 9 GLN HE2y 1.0 . 3.45 432 387 A 9 GLN HBx A 9 GLN HE2y 1.0 . 5.23 433 388 A 50 GLN H A 50 GLN HE2x 1.0 . 4.11 434 389 A 50 GLN HE2x A 50 GLN HA 1.0 . 4.07 435 390 A 59 ARG HA A 59 ARG HE 1.0 . 5.50 436 391 A 34 LEU HDy% A 47 GLN HE2x 1.0 . 5.50 437 392 A 46 ALA HB% A 48 SER H 1.0 . 5.50 438 393 A 48 SER H A 47 GLN H 1.0 . 3.13 439 394 A 48 SER H A 48 SER HBy 1.0 . 3.87 440 395 A 45 ASN HBy A 48 SER H 1.0 . 4.82 441 396 A 47 GLN HBy A 47 GLN HE2x 1.0 . 3.62 442 397 A 48 SER H A 47 GLN HBx 1.0 . 3.49 443 398 A 46 ALA H A 48 SER H 1.0 . 5.26 444 399 A 40 SER H A 41 GLN HE2y 1.0 . 4.39 445 400 A 41 GLN HE2x A 41 GLN HBx 1.0 . 5.12 446 400 A 41 GLN HBy A 41 GLN HE2x 1.0 . 5.12 447 401 A 56 GLY H A 58 ARG H 1.0 . 5.50 448 402 A 56 GLY H A 59 ARG HGx 1.0 . 5.50 449 402 A 56 GLY H A 59 ARG HGy 1.0 . 5.50 450 403 A 33 GLY H A 32 THR H 1.0 . 2.89 451 404 A 33 GLY H A 28 TYR HE% 1.0 . 5.03 452 405 A 33 GLY H A 32 THR HB 1.0 . 4.60 453 406 A 33 GLY H A 29 ASP HBy 1.0 . 4.56 454 407 A 33 GLY H A 31 GLN HBx 1.0 . 4.59 455 407 A 33 GLY H A 31 GLN HBy 1.0 . 4.59 456 408 A 33 GLY H A 34 LEU HBy 1.0 . 5.21 457 409 A 33 GLY H A 29 ASP HBx 1.0 . 4.70 458 410 A 21 ASP HBx A 25 GLY H 1.0 . 5.50 459 411 A 19 GLN HBy A 19 GLN HE2y 1.0 . 5.50 460 412 A 19 GLN HE2y A 19 GLN HGx 1.0 . 3.88 461 412 A 19 GLN HGy A 19 GLN HE2y 1.0 . 3.88 462 413 A 19 GLN HE2y A 30 PRO HGx 1.0 . 5.02 463 414 A 19 GLN HE2y A 30 PRO HBy 1.0 . 5.50 464 415 A 19 GLN HE2x A 30 PRO HGx 1.0 . 5.48 465 416 A 21 ASP HBy A 25 GLY H 1.0 . 4.89 466 417 A 21 ASP H A 25 GLY H 1.0 . 4.08 467 418 A 25 GLY H A 24 SER H 1.0 . 2.97 468 419 A 25 GLY H A 20 TYR HE% 1.0 . 5.50 469 420 A 74 GLU H A 76 GLY H 1.0 . 4.75 470 421 A 76 GLY H A 75 THR HA 1.0 . 3.47 471 422 A 76 GLY H A 77 ALA HA 1.0 . 5.40 472 423 A 76 GLY H A 75 THR HG2% 1.0 . 5.50 473 424 A 18 TYR HA A 17 THR H 1.0 . 5.50 474 425 A 17 THR H A 18 TYR HBx 1.0 . 5.50 475 426 A 17 THR H A 14 ASP HBy 1.0 . 5.09 476 427 A 17 THR H A 14 ASP HBx 1.0 . 5.50 477 428 A 17 THR H A 16 SER H 1.0 . 3.24 478 429 A 17 THR H A 18 TYR H 1.0 . 3.12 479 430 A 18 TYR HD% A 17 THR H 1.0 . 5.16 480 431 A 17 THR H A 16 SER HBy 1.0 . 4.45 481 432 A 17 THR H A 15 VAL HA 1.0 . 4.43 482 433 A 17 THR H A 15 VAL HGy% 1.0 . 5.50 483 434 A 18 TYR HE% A 17 THR H 1.0 . 5.50 484 435 A 80 LYS H A 82 GLY H 1.0 . 4.69 485 436 A 83 LYS H A 82 GLY H 1.0 . 4.75 486 437 A 79 SER HA A 82 GLY H 1.0 . 5.43 487 438 A 82 GLY H A 81 GLU HBy 1.0 . 4.98 488 439 A 60 THR H A 55 ASP HBx 1.0 . 5.24 489 440 A 60 THR H A 55 ASP HA 1.0 . 5.50 490 441 A 60 THR H A 54 TRP HZ2 1.0 . 5.50 491 442 A 60 THR H A 58 ARG HBy 1.0 . 5.50 492 443 A 73 LYS H A 71 GLY H 1.0 . 4.97 493 444 A 71 GLY H A 70 ASP HA 1.0 . 3.53 494 445 A 71 GLY H A 70 ASP HBx 1.0 . 4.37 495 445 A 70 ASP HBy A 71 GLY H 1.0 . 4.37 496 446 A 69 ALA HB% A 71 GLY H 1.0 . 5.50 497 447 A 32 THR H A 31 GLN HBx 1.0 . 3.32 498 447 A 32 THR H A 31 GLN HBy 1.0 . 3.32 499 448 A 32 THR H A 33 GLY HAx 1.0 . 4.70 500 449 A 34 LEU HDx% A 32 THR H 1.0 . 5.50 501 450 A 61 TYR HD% A 52 LEU HBx 1.0 . 4.77 502 451 A 61 TYR HD% A 52 LEU HBy 1.0 . 4.57 503 452 A 52 LEU HBy A 43 TYR HBx 1.0 . 3.82 504 453 A 52 LEU HBy A 52 LEU HDx% 1.0 . 3.63 505 454 A 53 TYR H A 52 LEU HBy 1.0 . 4.01 506 455 A 52 LEU HBy A 34 LEU HDx% 1.0 . 5.50 507 456 A 52 LEU H A 52 LEU HBx 1.0 . 3.95 508 457 A 53 TYR H A 52 LEU HBx 1.0 . 4.18 509 458 A 52 LEU HBx A 43 TYR HBx 1.0 . 3.69 510 459 A 52 LEU HBx A 61 TYR HBx 1.0 . 3.83 511 459 A 61 TYR HBy A 52 LEU HBx 1.0 . 3.83 512 460 A 52 LEU HBx A 52 LEU HDx% 1.0 . 3.65 513 461 A 62 VAL H A 52 LEU HBx 1.0 . 4.83 514 462 A 56 GLY HAy A 59 ARG HGx 1.0 . 4.78 515 462 A 56 GLY HAy A 59 ARG HGy 1.0 . 4.78 516 463 A 59 ARG H A 56 GLY HAy 1.0 . 4.26 517 464 A 56 GLY HAy A 55 ASP HA 1.0 . 4.53 518 465 A 56 GLY HAx A 54 TRP HZ2 1.0 . 4.38 519 466 A 56 GLY HAx A 59 ARG HA 1.0 . 4.60 520 467 A 56 GLY HAx A 59 ARG HGx 1.0 . 4.83 521 467 A 56 GLY HAx A 59 ARG HGy 1.0 . 4.83 522 468 A 56 GLY HAx A 55 ASP HA 1.0 . 4.42 523 469 A 59 ARG H A 56 GLY HAx 1.0 . 4.39 524 470 A 71 GLY HAx A 73 LYS HEx 1.0 . 4.70 525 470 A 71 GLY HAy A 73 LYS HEx 1.0 . 4.70 526 470 A 73 LYS HEy A 71 GLY HAx 1.0 . 4.70 527 470 A 71 GLY HAy A 73 LYS HEy 1.0 . 4.70 528 471 A 71 GLY HAy A 73 LYS HGx 1.0 . 4.82 529 471 A 71 GLY HAx A 73 LYS HGx 1.0 . 4.82 530 471 A 73 LYS HGy A 71 GLY HAx 1.0 . 4.82 531 471 A 73 LYS HGy A 71 GLY HAy 1.0 . 4.82 532 472 A 75 THR HB A 76 GLY HAx 1.0 . 3.64 533 472 A 75 THR HB A 76 GLY HAy 1.0 . 3.64 534 473 A 71 GLY HAy A 73 LYS HBx 1.0 . 5.15 535 473 A 71 GLY HAx A 73 LYS HBx 1.0 . 5.15 536 473 A 73 LYS HBy A 71 GLY HAx 1.0 . 5.15 537 473 A 73 LYS HBy A 71 GLY HAy 1.0 . 5.15 538 474 A 26 TYR HA A 25 GLY HAx 1.0 . 5.11 539 475 A 32 THR H A 33 GLY HAy 1.0 . 5.02 540 476 A 24 SER H A 25 GLY HAx 1.0 . 5.01 541 477 A 20 TYR HE% A 25 GLY HAx 1.0 . 4.34 542 478 A 29 ASP H A 33 GLY HAx 1.0 . 4.94 543 479 A 28 TYR HE% A 33 GLY HAy 1.0 . 4.10 544 480 A 34 LEU HDy% A 33 GLY HAy 1.0 . 5.50 545 481 A 44 TYR H A 34 LEU HBy 1.0 . 5.12 546 482 A 43 TYR HBy A 34 LEU HBx 1.0 . 4.16 547 483 A 59 ARG H A 59 ARG HDx 1.0 . 5.00 548 483 A 59 ARG H A 59 ARG HDy 1.0 . 5.00 549 484 A 54 TRP HH2 A 59 ARG HDx 1.0 . 4.98 550 484 A 54 TRP HH2 A 59 ARG HDy 1.0 . 4.98 551 485 A 59 ARG HBx A 59 ARG HDx 1.0 . 3.49 552 485 A 59 ARG HBx A 59 ARG HDy 1.0 . 3.49 553 486 A 58 ARG H A 58 ARG HDx 1.0 . 4.29 554 486 A 58 ARG H A 58 ARG HDy 1.0 . 4.29 555 487 A 58 ARG HGx A 58 ARG HDx 1.0 . 2.97 556 487 A 58 ARG HDy A 58 ARG HGx 1.0 . 2.97 557 488 A 58 ARG HBx A 58 ARG HDx 1.0 . 3.47 558 488 A 58 ARG HBx A 58 ARG HDy 1.0 . 3.47 559 489 A 58 ARG HA A 58 ARG HDx 1.0 . 4.14 560 489 A 58 ARG HA A 58 ARG HDy 1.0 . 4.14 561 490 A 62 VAL HGx% A 58 ARG HDx 1.0 . 4.64 562 490 A 58 ARG HDy A 62 VAL HGx% 1.0 . 4.64 563 491 A 37 ASP HBy A 39 ASN H 1.0 . 4.53 564 492 A 37 ASP HBy A 42 TYR H 1.0 . 4.85 565 493 A 37 ASP HBy A 40 SER H 1.0 . 5.09 566 494 A 37 ASP HBy A 26 TYR HE% 1.0 . 5.13 567 495 A 60 THR H A 55 ASP HBy 1.0 . 4.31 568 496 A 55 ASP HBy A 58 ARG H 1.0 . 4.74 569 497 A 37 ASP H A 37 ASP HBx 1.0 . 3.27 570 498 A 57 GLU H A 55 ASP HBx 1.0 . 4.67 571 499 A 38 PRO HDy A 37 ASP HBx 1.0 . 4.77 572 500 A 55 ASP HBx A 56 GLY H 1.0 . 5.07 573 501 A 55 ASP HBx A 62 VAL HGx% 1.0 . 5.50 574 502 A 37 ASP HBy A 38 PRO HA 1.0 . 5.11 575 503 A 36 TYR HBy A 36 TYR H 1.0 . 3.91 576 504 A 36 TYR HBy A 27 TYR HBy 1.0 . 4.24 577 505 A 55 ASP HBy A 58 ARG HBx 1.0 . 4.04 578 506 A 55 ASP HBx A 58 ARG HBx 1.0 . 4.89 579 507 A 43 TYR HD% A 36 TYR HBx 1.0 . 5.50 580 508 A 65 LEU H A 65 LEU HBy 1.0 . 3.22 581 509 A 65 LEU HBy A 65 LEU HDx% 1.0 . 3.46 582 510 A 66 GLU HBx A 65 LEU HBy 1.0 . 5.16 583 511 A 65 LEU HDx% A 65 LEU HBx 1.0 . 3.44 584 512 A 65 LEU H A 65 LEU HBx 1.0 . 3.68 585 513 A 43 TYR HD% A 36 TYR HBy 1.0 . 4.22 586 514 A 35 TYR HE% A 21 ASP HBy 1.0 . 4.64 587 515 A 85 LYS HDy A 85 LYS HEx 1.0 . 2.80 588 515 A 85 LYS HDx A 85 LYS HEx 1.0 . 2.80 589 515 A 85 LYS HEy A 85 LYS HDx 1.0 . 2.80 590 515 A 85 LYS HDy A 85 LYS HEy 1.0 . 2.80 591 516 A 21 ASP HBy A 26 TYR H 1.0 . 4.43 592 517 A 85 LYS HEx A 85 LYS HGx 1.0 . 3.64 593 517 A 85 LYS HEy A 85 LYS HGx 1.0 . 3.64 594 517 A 85 LYS HGy A 85 LYS HEx 1.0 . 3.64 595 517 A 85 LYS HGy A 85 LYS HEy 1.0 . 3.64 596 518 A 44 TYR HBy A 35 TYR HBy 1.0 . 3.72 597 519 A 44 TYR HBy A 51 TYR HA 1.0 . 4.64 598 520 A 21 ASP HBx A 26 TYR H 1.0 . 4.39 599 521 A 22 GLU H A 21 ASP HBx 1.0 . 4.39 600 522 A 35 TYR HE% A 21 ASP HBx 1.0 . 4.61 601 523 A 64 ALA HB% A 53 TYR HBy 1.0 . 5.50 602 524 A 54 TRP H A 53 TYR HBy 1.0 . 3.76 603 525 A 54 TRP H A 53 TYR HBx 1.0 . 4.43 604 526 A 64 ALA HB% A 53 TYR HBx 1.0 . 4.97 605 527 A 62 VAL HGy% A 53 TYR HBx 1.0 . 5.05 606 528 A 53 TYR HBx A 42 TYR HA 1.0 . 4.90 607 529 A 44 TYR HBy A 51 TYR HE% 1.0 . 4.38 608 530 A 44 TYR HBy A 44 TYR H 1.0 . 3.91 609 531 A 29 ASP HBy A 18 TYR HD% 1.0 . 5.50 610 532 A 29 ASP HBy A 34 LEU H 1.0 . 3.96 611 533 A 29 ASP HBy A 32 THR H 1.0 . 4.31 612 534 A 29 ASP HBx A 30 PRO HDy 1.0 . 5.05 613 535 A 29 ASP HBx A 34 LEU H 1.0 . 5.02 614 536 A 53 TYR HBy A 42 TYR HA 1.0 . 5.15 615 537 A 53 TYR HBy A 42 TYR HE% 1.0 . 4.61 616 538 A 53 TYR HBx A 42 TYR HE% 1.0 . 4.44 617 539 A 43 TYR HBx A 42 TYR HA 1.0 . 5.16 618 540 A 35 TYR HD% A 28 TYR HBx 1.0 . 4.42 619 540 A 35 TYR HD% A 28 TYR HBy 1.0 . 4.42 620 541 A 19 GLN HBx A 28 TYR HBx 1.0 . 3.83 621 541 A 28 TYR HBy A 19 GLN HBx 1.0 . 3.83 622 542 A 35 TYR HA A 28 TYR HBx 1.0 . 4.53 623 542 A 35 TYR HA A 28 TYR HBy 1.0 . 4.53 624 543 A 20 TYR HA A 28 TYR HBx 1.0 . 5.38 625 543 A 20 TYR HA A 28 TYR HBy 1.0 . 5.38 626 544 A 29 ASP HBx A 34 LEU HBy 1.0 . 4.88 627 545 A 43 TYR HBy A 43 TYR H 1.0 . 3.79 628 546 A 43 TYR HBy A 52 LEU HBx 1.0 . 4.01 629 547 A 43 TYR H A 43 TYR HBx 1.0 . 3.73 630 548 A 34 LEU HDx% A 43 TYR HBx 1.0 . 4.42 631 549 A 28 TYR H A 27 TYR HBy 1.0 . 4.38 632 550 A 18 TYR HD% A 27 TYR HBy 1.0 . 4.47 633 551 A 36 TYR HBx A 27 TYR HBy 1.0 . 3.94 634 552 A 27 TYR HBx A 18 TYR HA 1.0 . 4.99 635 553 A 18 TYR HD% A 27 TYR HBx 1.0 . 4.21 636 554 A 20 TYR HA A 27 TYR HBx 1.0 . 4.83 637 555 A 36 TYR HBx A 27 TYR HBx 1.0 . 4.13 638 556 A 69 ALA HB% A 70 ASP HBx 1.0 . 5.03 639 556 A 69 ALA HB% A 70 ASP HBy 1.0 . 5.03 640 557 A 70 ASP HBx A 71 GLY HAx 1.0 . 4.26 641 557 A 70 ASP HBy A 71 GLY HAx 1.0 . 4.26 642 557 A 71 GLY HAy A 70 ASP HBx 1.0 . 4.26 643 557 A 71 GLY HAy A 70 ASP HBy 1.0 . 4.26 644 558 A 14 ASP HBx A 12 VAL HGx% 1.0 . 5.50 645 559 A 44 TYR H A 35 TYR HBx 1.0 . 4.46 646 560 A 16 SER H A 14 ASP HBy 1.0 . 3.39 647 561 A 34 LEU HA A 35 TYR HBy 1.0 . 5.16 648 562 A 44 TYR H A 35 TYR HBy 1.0 . 4.42 649 563 A 44 TYR HBx A 35 TYR HBy 1.0 . 3.90 650 564 A 36 TYR H A 35 TYR HBy 1.0 . 4.30 651 565 A 25 GLY H A 26 TYR HBx 1.0 . 5.39 652 566 A 36 TYR H A 35 TYR HBx 1.0 . 4.02 653 567 A 26 TYR HD% A 35 TYR HBx 1.0 . 5.32 654 568 A 44 TYR HBx A 35 TYR HBx 1.0 . 3.87 655 569 A 35 TYR H A 35 TYR HBx 1.0 . 3.79 656 570 A 44 TYR HD% A 35 TYR HBx 1.0 . 4.42 657 571 A 26 TYR H A 26 TYR HBy 1.0 . 4.02 658 572 A 36 TYR H A 26 TYR HBy 1.0 . 4.01 659 573 A 42 TYR HBy A 43 TYR H 1.0 . 4.09 660 574 A 42 TYR H A 42 TYR HBy 1.0 . 4.11 661 575 A 42 TYR HBy A 51 TYR HBx 1.0 . 4.13 662 576 A 60 THR HA A 61 TYR HBx 1.0 . 4.74 663 576 A 61 TYR HBy A 60 THR HA 1.0 . 4.74 664 577 A 52 LEU HDx% A 61 TYR HBx 1.0 . 4.05 665 577 A 61 TYR HBy A 52 LEU HDx% 1.0 . 4.05 666 578 A 52 LEU HBy A 61 TYR HBx 1.0 . 3.49 667 578 A 61 TYR HBy A 52 LEU HBy 1.0 . 3.49 668 579 A 52 LEU HA A 61 TYR HBx 1.0 . 5.50 669 579 A 61 TYR HBy A 52 LEU HA 1.0 . 5.50 670 580 A 42 TYR HBy A 51 TYR HA 1.0 . 4.93 671 581 A 10 TYR HBy A 11 PRO HGx 1.0 . 5.20 672 581 A 10 TYR HBy A 11 PRO HGy 1.0 . 5.20 673 582 A 61 TYR HD% A 10 TYR HBy 1.0 . 5.43 674 583 A 50 GLN HA A 51 TYR HBy 1.0 . 4.80 675 584 A 42 TYR HBy A 51 TYR HBy 1.0 . 4.91 676 585 A 64 ALA H A 51 TYR HBy 1.0 . 5.47 677 586 A 64 ALA HB% A 51 TYR HBy 1.0 . 4.02 678 587 A 52 LEU H A 51 TYR HBy 1.0 . 4.41 679 588 A 52 LEU H A 51 TYR HBx 1.0 . 4.19 680 589 A 51 TYR H A 51 TYR HBx 1.0 . 3.54 681 590 A 64 ALA HB% A 51 TYR HBx 1.0 . 3.91 682 591 A 42 TYR HBx A 51 TYR HBx 1.0 . 4.83 683 592 A 51 TYR HBx A 52 LEU HG 1.0 . 5.37 684 593 A 54 TRP HH2 A 10 TYR HBy 1.0 . 4.96 685 594 A 10 TYR HBy A 32 THR HG2% 1.0 . 5.35 686 595 A 10 TYR H A 10 TYR HBy 1.0 . 3.86 687 596 A 10 TYR H A 10 TYR HBx 1.0 . 3.44 688 597 A 61 TYR HE% A 10 TYR HBx 1.0 . 4.72 689 598 A 45 ASN HBy A 50 GLN HA 1.0 . 4.98 690 599 A 45 ASN HBy A 50 GLN HBx 1.0 . 3.85 691 600 A 45 ASN HBx A 45 ASN HD2x 1.0 . 3.66 692 601 A 45 ASN HBy A 45 ASN HD2x 1.0 . 3.49 693 602 A 45 ASN HBy A 49 GLN HA 1.0 . 4.83 694 603 A 45 ASN HBx A 50 GLN HBx 1.0 . 5.16 695 604 A 39 ASN HBy A 40 SER H 1.0 . 3.57 696 605 A 45 ASN HBy A 45 ASN H 1.0 . 3.04 697 606 A 39 ASN H A 39 ASN HBx 1.0 . 3.21 698 607 A 39 ASN HD2y A 39 ASN HBx 1.0 . 3.80 699 608 A 40 SER H A 39 ASN HBx 1.0 . 3.55 700 609 A 19 GLN HA A 20 TYR HBy 1.0 . 5.14 701 610 A 27 TYR HE% A 20 TYR HBy 1.0 . 4.24 702 611 A 27 TYR HE% A 20 TYR HBx 1.0 . 4.31 703 612 A 20 TYR H A 20 TYR HBx 1.0 . 3.49 704 613 A 21 ASP H A 20 TYR HBx 1.0 . 4.73 705 614 A 28 TYR H A 18 TYR HBy 1.0 . 4.72 706 615 A 18 TYR H A 18 TYR HBy 1.0 . 3.51 707 616 A 28 TYR H A 18 TYR HBx 1.0 . 4.64 708 617 A 19 GLN H A 18 TYR HBx 1.0 . 3.73 709 618 A 57 GLU H A 57 GLU HGy 1.0 . 4.11 710 619 A 58 ARG H A 57 GLU HGy 1.0 . 4.92 711 620 A 57 GLU HA A 57 GLU HGx 1.0 . 3.79 712 621 A 58 ARG H A 57 GLU HGx 1.0 . 4.87 713 622 A 82 GLY H A 84 GLU HGx 1.0 . 3.65 714 622 A 84 GLU HGy A 82 GLY H 1.0 . 3.65 715 623 A 84 GLU HGy A 85 LYS HGx 1.0 . 4.61 716 623 A 84 GLU HGx A 85 LYS HGx 1.0 . 4.61 717 623 A 85 LYS HGy A 84 GLU HGx 1.0 . 4.61 718 623 A 85 LYS HGy A 84 GLU HGy 1.0 . 4.61 719 624 A 84 GLU HA A 84 GLU HGx 1.0 . 3.32 720 624 A 84 GLU HGy A 84 GLU HA 1.0 . 3.32 721 625 A 57 GLU H A 57 GLU HGx 1.0 . 4.02 722 626 A 21 ASP HA A 22 GLU HGx 1.0 . 4.81 723 626 A 21 ASP HA A 22 GLU HGy 1.0 . 4.81 724 627 A 22 GLU HBy A 22 GLU HGx 1.0 . 2.72 725 627 A 22 GLU HBx A 22 GLU HGx 1.0 . 2.72 726 627 A 22 GLU HGy A 22 GLU HBx 1.0 . 2.72 727 627 A 22 GLU HGy A 22 GLU HBy 1.0 . 2.72 728 628 A 23 THR HA A 22 GLU HGx 1.0 . 4.63 729 628 A 22 GLU HGy A 23 THR HA 1.0 . 4.63 730 629 A 23 THR HG2% A 22 GLU HGx 1.0 . 4.70 731 629 A 22 GLU HGy A 23 THR HG2% 1.0 . 4.70 732 630 A 36 TYR HE% A 41 GLN HGy 1.0 . 5.14 733 631 A 31 GLN H A 31 GLN HGx 1.0 . 3.98 734 631 A 31 GLN H A 31 GLN HGy 1.0 . 3.98 735 632 A 32 THR HG2% A 31 GLN HGx 1.0 . 4.87 736 632 A 32 THR HG2% A 31 GLN HGy 1.0 . 4.87 737 633 A 41 GLN HA A 41 GLN HGx 1.0 . 3.45 738 634 A 47 GLN H A 47 GLN HGx 1.0 . 3.37 739 634 A 47 GLN H A 47 GLN HGy 1.0 . 3.37 740 635 A 47 GLN HA A 47 GLN HGx 1.0 . 3.03 741 635 A 47 GLN HA A 47 GLN HGy 1.0 . 3.03 742 636 A 46 ALA HB% A 47 GLN HGx 1.0 . 4.54 743 636 A 46 ALA HB% A 47 GLN HGy 1.0 . 4.54 744 637 A 49 GLN HA A 49 GLN HGy 1.0 . 3.52 745 638 A 49 GLN H A 49 GLN HGx 1.0 . 3.97 746 639 A 49 GLN HA A 49 GLN HGx 1.0 . 3.43 747 640 A 53 TYR H A 62 VAL HB 1.0 . 4.98 748 641 A 62 VAL HB A 63 PRO HGy 1.0 . 5.11 749 642 A 50 GLN H A 50 GLN HGx 1.0 . 4.04 750 642 A 50 GLN H A 50 GLN HGy 1.0 . 4.04 751 643 A 10 TYR H A 9 GLN HGx 1.0 . 4.55 752 643 A 10 TYR H A 9 GLN HGy 1.0 . 4.55 753 644 A 61 TYR HA A 62 VAL HB 1.0 . 5.44 754 645 A 62 VAL H A 62 VAL HB 1.0 . 3.53 755 646 A 53 TYR HE% A 62 VAL HB 1.0 . 4.66 756 647 A 53 TYR HD% A 62 VAL HB 1.0 . 4.85 757 648 A 63 PRO HDx A 62 VAL HB 1.0 . 3.92 758 649 A 51 TYR H A 50 GLN HGx 1.0 . 4.22 759 649 A 51 TYR H A 50 GLN HGy 1.0 . 4.22 760 650 A 48 SER HBy A 50 GLN HGx 1.0 . 3.92 761 650 A 48 SER HBy A 50 GLN HGy 1.0 . 3.92 762 651 A 52 LEU HDx% A 50 GLN HGx 1.0 . 4.17 763 651 A 52 LEU HDx% A 50 GLN HGy 1.0 . 4.17 764 652 A 9 GLN HBx A 9 GLN HGx 1.0 . 2.67 765 652 A 9 GLN HGy A 9 GLN HBx 1.0 . 2.67 766 653 A 19 GLN H A 19 GLN HGx 1.0 . 3.53 767 653 A 19 GLN HGy A 19 GLN H 1.0 . 3.53 768 654 A 28 TYR HD% A 19 GLN HGx 1.0 . 4.97 769 654 A 19 GLN HGy A 28 TYR HD% 1.0 . 4.97 770 655 A 19 GLN HA A 19 GLN HGx 1.0 . 3.40 771 655 A 19 GLN HGy A 19 GLN HA 1.0 . 3.40 772 656 A 30 PRO HDy A 19 GLN HGx 1.0 . 4.21 773 656 A 19 GLN HGy A 30 PRO HDy 1.0 . 4.21 774 657 A 28 TYR H A 19 GLN HGx 1.0 . 5.20 775 657 A 28 TYR H A 19 GLN HGy 1.0 . 5.20 776 658 A 50 GLN HBy A 50 GLN HE2y 1.0 . 5.50 777 659 A 50 GLN HBy A 52 LEU HDx% 1.0 . 4.42 778 660 A 50 GLN HBy A 50 GLN H 1.0 . 3.92 779 661 A 45 ASN HBy A 50 GLN HBy 1.0 . 4.38 780 662 A 50 GLN HBy A 51 TYR H 1.0 . 3.90 781 663 A 50 GLN HBx A 51 TYR H 1.0 . 4.25 782 664 A 50 GLN HBx A 50 GLN H 1.0 . 3.68 783 665 A 50 GLN HBx A 52 LEU HDx% 1.0 . 4.69 784 666 A 32 THR HB A 33 GLY HAy 1.0 . 4.67 785 667 A 10 TYR HE% A 32 THR HB 1.0 . 5.37 786 668 A 31 GLN H A 30 PRO HBy 1.0 . 4.45 787 669 A 28 TYR HD% A 30 PRO HBy 1.0 . 4.75 788 670 A 27 TYR HE% A 38 PRO HBx 1.0 . 5.00 789 671 A 28 TYR HE% A 30 PRO HBx 1.0 . 4.50 790 672 A 31 GLN H A 30 PRO HBx 1.0 . 4.07 791 673 A 30 PRO HBx A 31 GLN HA 1.0 . 4.21 792 674 A 14 ASP H A 13 PRO HBx 1.0 . 3.82 793 675 A 63 PRO HBy A 52 LEU HA 1.0 . 4.67 794 676 A 36 TYR HD% A 38 PRO HBy 1.0 . 5.04 795 677 A 36 TYR HE% A 38 PRO HBy 1.0 . 4.05 796 678 A 63 PRO HBy A 52 LEU HDy% 1.0 . 5.12 797 679 A 39 ASN H A 38 PRO HBx 1.0 . 4.31 798 680 A 64 ALA H A 63 PRO HBx 1.0 . 4.20 799 681 A 63 PRO HBx A 64 ALA HA 1.0 . 4.80 800 682 A 63 PRO HBx A 52 LEU HDx% 1.0 . 4.67 801 683 A 13 PRO HBx A 12 VAL HA 1.0 . 5.22 802 684 A 7 TYR HA A 5 GLU HGx 1.0 . 4.91 803 684 A 5 GLU HGy A 7 TYR HA 1.0 . 4.91 804 685 A 12 VAL HGy% A 11 PRO HBx 1.0 . 5.50 805 685 A 11 PRO HBy A 12 VAL HGy% 1.0 . 5.50 806 686 A 13 PRO HBx A 11 PRO HBx 1.0 . 5.02 807 686 A 11 PRO HBy A 13 PRO HBx 1.0 . 5.02 808 687 A 5 GLU HBy A 5 GLU HGx 1.0 . 2.40 809 687 A 5 GLU HBx A 5 GLU HGx 1.0 . 2.40 810 687 A 5 GLU HGy A 5 GLU HBx 1.0 . 2.40 811 687 A 5 GLU HBy A 5 GLU HGy 1.0 . 2.40 812 688 A 58 ARG H A 58 ARG HBy 1.0 . 3.79 813 689 A 59 ARG H A 58 ARG HBy 1.0 . 4.57 814 690 A 58 ARG HBy A 58 ARG HDx 1.0 . 3.61 815 690 A 58 ARG HDy A 58 ARG HBy 1.0 . 3.61 816 691 A 58 ARG HBx A 59 ARG HA 1.0 . 5.36 817 692 A 58 ARG HBx A 58 ARG H 1.0 . 3.53 818 693 A 60 THR H A 58 ARG HBx 1.0 . 4.87 819 694 A 10 TYR HE% A 60 THR HB 1.0 . 5.27 820 695 A 60 THR HB A 10 TYR HD% 1.0 . 4.54 821 696 A 19 GLN HBy A 19 GLN H 1.0 . 3.60 822 697 A 19 GLN HBy A 28 TYR HBx 1.0 . 4.05 823 697 A 19 GLN HBy A 28 TYR HBy 1.0 . 4.05 824 698 A 19 GLN HBy A 28 TYR HD% 1.0 . 4.63 825 699 A 15 VAL HB A 14 ASP HA 1.0 . 5.10 826 700 A 15 VAL H A 15 VAL HB 1.0 . 3.33 827 701 A 18 TYR HD% A 15 VAL HB 1.0 . 5.06 828 702 A 18 TYR HBx A 15 VAL HB 1.0 . 4.91 829 703 A 36 TYR HD% A 15 VAL HB 1.0 . 5.50 830 704 A 54 TRP H A 54 TRP HBy 1.0 . 3.35 831 705 A 55 ASP H A 54 TRP HBy 1.0 . 4.96 832 706 A 61 TYR HD% A 54 TRP HBx 1.0 . 5.18 833 707 A 54 TRP H A 54 TRP HBx 1.0 . 3.48 834 708 A 55 ASP H A 54 TRP HBx 1.0 . 4.57 835 709 A 54 TRP HBx A 54 TRP HD1 1.0 . 3.75 836 710 A 54 TRP HBx A 13 PRO HGx 1.0 . 4.42 837 710 A 54 TRP HBx A 13 PRO HGy 1.0 . 4.42 838 711 A 43 TYR HD% A 54 TRP HBx 1.0 . 5.11 839 712 A 74 GLU HBy A 75 THR HG2% 1.0 . 5.11 840 713 A 74 GLU HBy A 76 GLY H 1.0 . 3.51 841 714 A 81 GLU H A 81 GLU HBy 1.0 . 3.76 842 715 A 84 GLU HBy A 84 GLU HGx 1.0 . 2.41 843 715 A 84 GLU HBy A 84 GLU HGy 1.0 . 2.41 844 716 A 9 GLN HBx A 10 TYR HD% 1.0 . 5.39 845 717 A 23 THR HB A 24 SER H 1.0 . 4.25 846 718 A 23 THR HB A 23 THR H 1.0 . 3.97 847 719 A 9 GLN HBy A 9 GLN HGx 1.0 . 2.40 848 719 A 9 GLN HGy A 9 GLN HBy 1.0 . 2.40 849 720 A 58 ARG HA A 57 GLU HBx 1.0 . 4.46 850 720 A 58 ARG HA A 57 GLU HBy 1.0 . 4.46 851 721 A 58 ARG H A 57 GLU HBx 1.0 . 3.36 852 721 A 58 ARG H A 57 GLU HBy 1.0 . 3.36 853 722 A 67 GLN HBy A 67 GLN HGx 1.0 . 2.67 854 722 A 67 GLN HGy A 67 GLN HBy 1.0 . 2.67 855 723 A 21 ASP HA A 22 GLU HBx 1.0 . 4.62 856 723 A 21 ASP HA A 22 GLU HBy 1.0 . 4.62 857 724 A 64 ALA HB% A 67 GLN HBy 1.0 . 5.38 858 725 A 72 HIS HBx A 73 LYS HGx 1.0 . 4.99 859 725 A 73 LYS HGy A 72 HIS HBx 1.0 . 4.99 860 726 A 72 HIS HBy A 73 LYS HGx 1.0 . 5.28 861 726 A 73 LYS HGy A 72 HIS HBy 1.0 . 5.28 862 727 A 31 GLN HE2x A 31 GLN HBx 1.0 . 5.19 863 727 A 31 GLN HBy A 31 GLN HE2x 1.0 . 5.19 864 728 A 73 LYS HBy A 73 LYS HDx 1.0 . 3.49 865 728 A 73 LYS HBx A 73 LYS HDx 1.0 . 3.49 866 728 A 73 LYS HDy A 73 LYS HBx 1.0 . 3.49 867 728 A 73 LYS HBy A 73 LYS HDy 1.0 . 3.49 868 729 A 34 LEU HDx% A 31 GLN HBx 1.0 . 5.24 869 729 A 34 LEU HDx% A 31 GLN HBy 1.0 . 5.24 870 730 A 31 GLN HBx A 31 GLN HGx 1.0 . 2.69 871 730 A 31 GLN HBy A 31 GLN HGx 1.0 . 2.69 872 730 A 31 GLN HGy A 31 GLN HBx 1.0 . 2.69 873 730 A 31 GLN HBy A 31 GLN HGy 1.0 . 2.69 874 731 A 45 ASN HD2x A 47 GLN HBy 1.0 . 5.00 875 732 A 47 GLN H A 47 GLN HBx 1.0 . 3.27 876 733 A 47 GLN HBx A 47 GLN HGx 1.0 . 2.79 877 733 A 47 GLN HBx A 47 GLN HGy 1.0 . 2.79 878 734 A 62 VAL HA A 63 PRO HGy 1.0 . 4.69 879 735 A 62 VAL HGx% A 63 PRO HGy 1.0 . 5.00 880 736 A 52 LEU HDx% A 63 PRO HGy 1.0 . 4.80 881 737 A 62 VAL HA A 63 PRO HGx 1.0 . 4.59 882 738 A 52 LEU HDx% A 63 PRO HGx 1.0 . 4.27 883 739 A 58 ARG HA A 58 ARG HGy 1.0 . 3.49 884 740 A 58 ARG H A 58 ARG HGx 1.0 . 3.95 885 741 A 62 VAL HGx% A 63 PRO HGx 1.0 . 5.19 886 742 A 57 GLU HA A 59 ARG HGx 1.0 . 5.50 887 742 A 59 ARG HGy A 57 GLU HA 1.0 . 5.50 888 743 A 60 THR H A 59 ARG HGx 1.0 . 5.12 889 743 A 60 THR H A 59 ARG HGy 1.0 . 5.12 890 744 A 52 LEU HDy% A 52 LEU H 1.0 . 4.62 891 745 A 37 ASP HA A 38 PRO HGx 1.0 . 4.47 892 745 A 38 PRO HGy A 37 ASP HA 1.0 . 4.47 893 746 A 12 VAL H A 11 PRO HGx 1.0 . 4.68 894 746 A 12 VAL H A 11 PRO HGy 1.0 . 4.68 895 747 A 32 THR HG2% A 11 PRO HGx 1.0 . 5.17 896 747 A 11 PRO HGy A 32 THR HG2% 1.0 . 5.17 897 748 A 10 TYR HD% A 11 PRO HGx 1.0 . 5.18 898 748 A 11 PRO HGy A 10 TYR HD% 1.0 . 5.18 899 749 A 64 ALA H A 52 LEU HDy% 1.0 . 5.44 900 750 A 53 TYR H A 52 LEU HDy% 1.0 . 5.32 901 751 A 52 LEU HDy% A 52 LEU HA 1.0 . 4.22 902 752 A 63 PRO HA A 52 LEU HDy% 1.0 . 4.32 903 753 A 28 TYR HD% A 30 PRO HGy 1.0 . 4.50 904 753 A 28 TYR HD% A 30 PRO HGx 1.0 . 4.50 905 754 A 28 TYR HE% A 30 PRO HGy 1.0 . 4.57 906 754 A 28 TYR HE% A 30 PRO HGx 1.0 . 4.57 907 755 A 31 GLN H A 30 PRO HGy 1.0 . 4.29 908 755 A 31 GLN H A 30 PRO HGx 1.0 . 4.29 909 756 A 65 LEU HA A 65 LEU HG 1.0 . 4.03 910 757 A 65 LEU H A 65 LEU HG 1.0 . 3.65 911 758 A 51 TYR HA A 52 LEU HG 1.0 . 4.25 912 759 A 63 PRO HA A 52 LEU HG 1.0 . 4.22 913 760 A 52 LEU H A 52 LEU HG 1.0 . 3.89 914 761 A 52 LEU HA A 52 LEU HG 1.0 . 3.92 915 762 A 45 ASN HBy A 52 LEU HG 1.0 . 4.41 916 763 A 45 ASN H A 52 LEU HG 1.0 . 3.99 917 764 A 45 ASN HBx A 52 LEU HG 1.0 . 3.52 918 765 A 26 TYR HD% A 24 SER HBy 1.0 . 4.81 919 766 A 26 TYR H A 24 SER HBx 1.0 . 5.17 920 767 A 26 TYR HD% A 24 SER HBx 1.0 . 4.48 921 768 A 24 SER H A 24 SER HBx 1.0 . 4.18 922 769 A 26 TYR HE% A 24 SER HBx 1.0 . 5.48 923 770 A 32 THR HB A 34 LEU HG 1.0 . 3.48 924 771 A 54 TRP HZ2 A 59 ARG HBy 1.0 . 5.40 925 772 A 60 THR H A 59 ARG HBy 1.0 . 5.14 926 773 A 59 ARG HBy A 59 ARG HDx 1.0 . 3.98 927 773 A 59 ARG HDy A 59 ARG HBy 1.0 . 3.98 928 774 A 10 TYR H A 59 ARG HBy 1.0 . 4.68 929 775 A 59 ARG HBx A 54 TRP HH2 1.0 . 4.53 930 776 A 41 GLN H A 40 SER HBy 1.0 . 4.75 931 777 A 42 TYR HD% A 40 SER HBy 1.0 . 4.34 932 778 A 42 TYR HD% A 40 SER HBx 1.0 . 4.35 933 779 A 41 GLN H A 40 SER HBx 1.0 . 4.96 934 780 A 40 SER H A 40 SER HBx 1.0 . 4.04 935 781 A 42 TYR HE% A 40 SER HBx 1.0 . 4.96 936 782 A 54 TRP HE1 A 13 PRO HGx 1.0 . 5.50 937 782 A 54 TRP HE1 A 13 PRO HGy 1.0 . 5.50 938 783 A 12 VAL HA A 13 PRO HGx 1.0 . 4.15 939 783 A 12 VAL HA A 13 PRO HGy 1.0 . 4.15 940 784 A 54 TRP HBy A 13 PRO HGx 1.0 . 4.85 941 784 A 54 TRP HBy A 13 PRO HGy 1.0 . 4.85 942 785 A 54 TRP HD1 A 13 PRO HGx 1.0 . 5.09 943 785 A 54 TRP HD1 A 13 PRO HGy 1.0 . 5.09 944 786 A 14 ASP H A 13 PRO HGx 1.0 . 4.88 945 786 A 14 ASP H A 13 PRO HGy 1.0 . 4.88 946 787 A 54 TRP HE3 A 13 PRO HGx 1.0 . 5.45 947 787 A 54 TRP HE3 A 13 PRO HGy 1.0 . 5.45 948 788 A 48 SER HBx A 50 GLN HGx 1.0 . 4.57 949 788 A 50 GLN HGy A 48 SER HBx 1.0 . 4.57 950 789 A 50 GLN HBx A 48 SER HBx 1.0 . 4.56 951 790 A 49 GLN H A 48 SER HBx 1.0 . 4.89 952 791 A 48 SER H A 48 SER HBx 1.0 . 3.72 953 792 A 45 ASN HD2x A 48 SER HBx 1.0 . 4.87 954 793 A 48 SER HBy A 45 ASN HD2x 1.0 . 5.36 955 794 A 36 TYR HE% A 41 GLN HBx 1.0 . 4.89 956 794 A 36 TYR HE% A 41 GLN HBy 1.0 . 4.89 957 795 A 44 TYR HE% A 49 GLN HBy 1.0 . 5.38 958 796 A 7 TYR HD% A 8 SER HBx 1.0 . 5.03 959 796 A 7 TYR HD% A 8 SER HBy 1.0 . 5.03 960 797 A 65 LEU H A 63 PRO HA 1.0 . 4.51 961 798 A 7 TYR H A 8 SER HBx 1.0 . 4.39 962 798 A 7 TYR H A 8 SER HBy 1.0 . 4.39 963 799 A 40 SER H A 38 PRO HA 1.0 . 4.86 964 800 A 36 TYR HE% A 38 PRO HA 1.0 . 3.07 965 801 A 28 TYR HD% A 30 PRO HA 1.0 . 4.85 966 802 A 33 GLY H A 30 PRO HA 1.0 . 4.19 967 803 A 65 LEU H A 65 LEU HDx% 1.0 . 4.22 968 804 A 65 LEU HA A 65 LEU HDx% 1.0 . 3.99 969 805 A 75 THR HG2% A 65 LEU HDx% 1.0 . 4.21 970 806 A 6 SER H A 5 GLU HA 1.0 . 3.45 971 807 A 5 GLU HA A 5 GLU HGx 1.0 . 3.14 972 807 A 5 GLU HGy A 5 GLU HA 1.0 . 3.14 973 808 A 14 ASP HBx A 13 PRO HA 1.0 . 4.82 974 809 A 14 ASP HBy A 13 PRO HA 1.0 . 5.33 975 810 A 14 ASP H A 13 PRO HA 1.0 . 2.68 976 811 A 80 LYS H A 80 LYS HGy 1.0 . 4.83 977 811 A 80 LYS H A 80 LYS HGx 1.0 . 4.83 978 812 A 17 THR H A 16 SER HBx 1.0 . 4.97 979 813 A 15 VAL HGx% A 16 SER HBx 1.0 . 5.34 980 814 A 85 LYS HEy A 86 LYS HGx 1.0 . 4.82 981 814 A 86 LYS HGy A 85 LYS HEx 1.0 . 4.82 982 814 A 85 LYS HEy A 86 LYS HGy 1.0 . 4.82 983 814 A 85 LYS HEx A 86 LYS HGx 1.0 . 4.82 984 815 A 52 LEU H A 52 LEU HDx% 1.0 . 4.88 985 816 A 53 TYR H A 52 LEU HDx% 1.0 . 4.24 986 817 A 64 ALA H A 52 LEU HDx% 1.0 . 3.90 987 818 A 61 TYR HD% A 52 LEU HDx% 1.0 . 5.50 988 819 A 52 LEU HA A 52 LEU HDx% 1.0 . 3.38 989 820 A 63 PRO HA A 52 LEU HDx% 1.0 . 3.03 990 821 A 63 PRO HDy A 52 LEU HDx% 1.0 . 3.93 991 822 A 63 PRO HDx A 52 LEU HDx% 1.0 . 4.61 992 823 A 63 PRO HBy A 52 LEU HDx% 1.0 . 3.82 993 824 A 62 VAL H A 52 LEU HDx% 1.0 . 4.53 994 825 A 34 LEU HDx% A 52 LEU HDx% 1.0 . 5.50 995 826 A 12 VAL H A 11 PRO HA 1.0 . 2.67 996 827 A 34 LEU HDx% A 32 THR HB 1.0 . 3.99 997 828 A 43 TYR HBy A 34 LEU HDx% 1.0 . 3.96 998 829 A 34 LEU HDx% A 61 TYR HBx 1.0 . 4.79 999 829 A 61 TYR HBy A 34 LEU HDx% 1.0 . 4.79 1000 830 A 34 LEU HDx% A 34 LEU HBy 1.0 . 3.54 1001 831 A 34 LEU HBx A 34 LEU HDx% 1.0 . 3.63 1002 832 A 75 THR HA A 75 THR HG2% 1.0 . 3.66 1003 833 A 63 PRO HBy A 65 LEU HDy% 1.0 . 4.75 1004 834 A 65 LEU H A 65 LEU HDy% 1.0 . 4.09 1005 835 A 63 PRO HBx A 65 LEU HDy% 1.0 . 4.09 1006 836 A 32 THR HB A 32 THR HA 1.0 . 2.95 1007 837 A 32 THR HA A 31 GLN HBx 1.0 . 4.76 1008 837 A 31 GLN HBy A 32 THR HA 1.0 . 4.76 1009 838 A 44 TYR H A 34 LEU HDy% 1.0 . 4.99 1010 839 A 46 ALA H A 34 LEU HDy% 1.0 . 4.28 1011 840 A 35 TYR H A 34 LEU HDy% 1.0 . 3.97 1012 841 A 34 LEU H A 34 LEU HDy% 1.0 . 4.09 1013 842 A 34 LEU HDy% A 45 ASN HA 1.0 . 3.21 1014 843 A 34 LEU HA A 34 LEU HDy% 1.0 . 2.99 1015 844 A 45 ASN HBy A 34 LEU HDy% 1.0 . 4.16 1016 845 A 45 ASN HBx A 34 LEU HDy% 1.0 . 3.31 1017 846 A 34 LEU HBx A 34 LEU HDy% 1.0 . 3.66 1018 847 A 45 ASN H A 34 LEU HDy% 1.0 . 4.61 1019 848 A 32 THR HB A 34 LEU HDy% 1.0 . 4.57 1020 849 A 34 LEU HBy A 34 LEU HDy% 1.0 . 3.82 1021 850 A 18 TYR H A 16 SER HA 1.0 . 4.37 1022 851 A 16 SER HBy A 16 SER HA 1.0 . 2.75 1023 852 A 17 THR HG2% A 16 SER HA 1.0 . 5.48 1024 853 A 54 TRP HE1 A 12 VAL HA 1.0 . 5.20 1025 854 A 12 VAL HA A 13 PRO HDx 1.0 . 3.01 1026 855 A 54 TRP HH2 A 12 VAL HA 1.0 . 4.29 1027 856 A 13 PRO HDy A 12 VAL HA 1.0 . 3.31 1028 857 A 60 THR HA A 9 GLN HGx 1.0 . 5.40 1029 857 A 9 GLN HGy A 60 THR HA 1.0 . 5.40 1030 858 A 23 THR HG2% A 23 THR H 1.0 . 3.79 1031 859 A 23 THR HG2% A 23 THR HA 1.0 . 3.20 1032 860 A 60 THR HA A 10 TYR HBx 1.0 . 4.47 1033 861 A 10 TYR H A 60 THR HA 1.0 . 4.30 1034 862 A 75 THR H A 75 THR HG2% 1.0 . 4.69 1035 863 A 14 ASP H A 17 THR HG2% 1.0 . 4.18 1036 864 A 17 THR H A 17 THR HG2% 1.0 . 3.28 1037 865 A 18 TYR H A 17 THR HG2% 1.0 . 4.85 1038 866 A 14 ASP HBy A 17 THR HG2% 1.0 . 3.48 1039 867 A 14 ASP HBx A 17 THR HG2% 1.0 . 4.12 1040 868 A 12 VAL H A 12 VAL HGy% 1.0 . 3.00 1041 869 A 12 VAL HGy% A 11 PRO HA 1.0 . 4.24 1042 870 A 12 VAL HA A 12 VAL HGy% 1.0 . 3.24 1043 871 A 54 TRP HE1 A 12 VAL HGy% 1.0 . 4.91 1044 872 A 33 GLY H A 32 THR HG2% 1.0 . 4.64 1045 873 A 31 GLN H A 32 THR HG2% 1.0 . 4.69 1046 874 A 32 THR H A 32 THR HG2% 1.0 . 3.46 1047 875 A 32 THR HG2% A 32 THR HA 1.0 . 3.11 1048 876 A 32 THR HG2% A 31 GLN HBx 1.0 . 3.44 1049 876 A 31 GLN HBy A 32 THR HG2% 1.0 . 3.44 1050 877 A 34 LEU HDx% A 32 THR HG2% 1.0 . 4.06 1051 878 A 32 THR HG2% A 10 TYR HA 1.0 . 5.46 1052 879 A 62 VAL H A 62 VAL HGx% 1.0 . 4.29 1053 880 A 53 TYR HD% A 62 VAL HGx% 1.0 . 5.50 1054 881 A 53 TYR HE% A 62 VAL HGx% 1.0 . 4.01 1055 882 A 62 VAL HA A 62 VAL HGx% 1.0 . 3.21 1056 883 A 20 TYR HA A 20 TYR HD% 1.0 . 3.43 1057 884 A 20 TYR HA A 20 TYR HE% 1.0 . 5.50 1058 885 A 63 PRO HDy A 62 VAL HGx% 1.0 . 3.79 1059 886 A 63 PRO HDx A 62 VAL HGx% 1.0 . 3.39 1060 887 A 62 VAL H A 62 VAL HGy% 1.0 . 3.39 1061 888 A 55 ASP H A 62 VAL HGy% 1.0 . 4.49 1062 889 A 62 VAL HA A 62 VAL HGy% 1.0 . 3.34 1063 890 A 63 PRO HDy A 62 VAL HGy% 1.0 . 4.80 1064 891 A 62 VAL HGy% A 53 TYR HBy 1.0 . 5.32 1065 892 A 62 VAL HGy% A 58 ARG HDx 1.0 . 4.33 1066 892 A 58 ARG HDy A 62 VAL HGy% 1.0 . 4.33 1067 893 A 55 ASP HBy A 62 VAL HGy% 1.0 . 3.57 1068 894 A 55 ASP HBx A 62 VAL HGy% 1.0 . 3.44 1069 895 A 23 THR HG2% A 24 SER HA 1.0 . 4.73 1070 896 A 23 THR HA A 24 SER HA 1.0 . 5.09 1071 897 A 24 SER HBx A 24 SER HA 1.0 . 2.91 1072 898 A 54 TRP HE1 A 12 VAL HGx% 1.0 . 4.47 1073 899 A 12 VAL H A 12 VAL HGx% 1.0 . 3.81 1074 900 A 12 VAL HGx% A 12 VAL HA 1.0 . 3.23 1075 901 A 13 PRO HDy A 12 VAL HGx% 1.0 . 3.49 1076 902 A 40 SER HA A 40 SER HBx 1.0 . 2.72 1077 903 A 39 ASN HBy A 40 SER HA 1.0 . 4.89 1078 904 A 63 PRO HDy A 62 VAL HA 1.0 . 2.80 1079 905 A 63 PRO HDx A 62 VAL HA 1.0 . 3.07 1080 906 A 22 GLU HA A 22 GLU HBx 1.0 . 2.72 1081 906 A 22 GLU HA A 22 GLU HBy 1.0 . 2.72 1082 907 A 22 GLU HA A 24 SER H 1.0 . 5.07 1083 908 A 18 TYR H A 15 VAL HGy% 1.0 . 5.21 1084 909 A 8 SER HA A 8 SER HBx 1.0 . 2.68 1085 909 A 8 SER HBy A 8 SER HA 1.0 . 2.68 1086 910 A 7 TYR HD% A 8 SER HA 1.0 . 4.47 1087 911 A 57 GLU HA A 57 GLU HBx 1.0 . 2.66 1088 911 A 57 GLU HBy A 57 GLU HA 1.0 . 2.66 1089 912 A 31 GLN HA A 31 GLN HGx 1.0 . 3.71 1090 912 A 31 GLN HGy A 31 GLN HA 1.0 . 3.71 1091 913 A 31 GLN HA A 31 GLN HBx 1.0 . 2.71 1092 913 A 31 GLN HBy A 31 GLN HA 1.0 . 2.71 1093 914 A 32 THR HG2% A 31 GLN HA 1.0 . 5.21 1094 915 A 22 GLU HA A 22 GLU HGx 1.0 . 3.56 1095 915 A 22 GLU HA A 22 GLU HGy 1.0 . 3.56 1096 916 A 15 VAL HGy% A 16 SER HA 1.0 . 5.12 1097 917 A 15 VAL HA A 15 VAL HGy% 1.0 . 3.40 1098 918 A 18 TYR HD% A 15 VAL HGy% 1.0 . 4.47 1099 919 A 28 TYR H A 27 TYR HA 1.0 . 3.04 1100 920 A 27 TYR HA A 20 TYR HA 1.0 . 3.09 1101 921 A 45 ASN H A 51 TYR HA 1.0 . 4.27 1102 922 A 52 LEU H A 51 TYR HA 1.0 . 3.10 1103 923 A 44 TYR HD% A 51 TYR HA 1.0 . 4.71 1104 924 A 52 LEU HDy% A 51 TYR HA 1.0 . 4.86 1105 925 A 27 TYR HA A 28 TYR HBx 1.0 . 4.23 1106 925 A 27 TYR HA A 28 TYR HBy 1.0 . 4.23 1107 926 A 41 GLN HA A 40 SER H 1.0 . 4.92 1108 927 A 41 GLN HA A 41 GLN HGy 1.0 . 3.55 1109 928 A 52 LEU H A 64 ALA HB% 1.0 . 4.84 1110 929 A 64 ALA HB% A 65 LEU HDy% 1.0 . 4.29 1111 930 A 53 TYR H A 64 ALA HB% 1.0 . 4.66 1112 931 A 64 ALA H A 64 ALA HB% 1.0 . 3.07 1113 932 A 52 LEU HA A 64 ALA HB% 1.0 . 4.05 1114 933 A 65 LEU HA A 64 ALA HB% 1.0 . 4.37 1115 934 A 64 ALA HB% A 63 PRO HBx 1.0 . 5.08 1116 935 A 64 ALA HB% A 67 GLN HGx 1.0 . 4.48 1117 935 A 64 ALA HB% A 67 GLN HGy 1.0 . 4.48 1118 936 A 64 ALA HB% A 52 LEU HDx% 1.0 . 5.38 1119 937 A 61 TYR HA A 54 TRP HZ3 1.0 . 5.50 1120 938 A 8 SER H A 7 TYR HA 1.0 . 3.40 1121 939 A 48 SER HBx A 48 SER HA 1.0 . 2.95 1122 940 A 48 SER HA A 47 GLN HGx 1.0 . 4.91 1123 940 A 47 GLN HGy A 48 SER HA 1.0 . 4.91 1124 941 A 49 GLN HGy A 48 SER HA 1.0 . 4.29 1125 942 A 59 ARG HA A 60 THR HG2% 1.0 . 4.96 1126 943 A 55 ASP HBx A 60 THR HG2% 1.0 . 4.80 1127 944 A 36 TYR HE% A 15 VAL HGx% 1.0 . 4.52 1128 945 A 18 TYR HE% A 15 VAL HGx% 1.0 . 4.61 1129 946 A 15 VAL H A 15 VAL HGx% 1.0 . 2.93 1130 947 A 15 VAL HGx% A 14 ASP HA 1.0 . 4.58 1131 948 A 15 VAL HGx% A 16 SER HA 1.0 . 4.40 1132 949 A 15 VAL HGx% A 15 VAL HA 1.0 . 3.72 1133 950 A 61 TYR HA A 62 VAL HGy% 1.0 . 4.26 1134 951 A 62 VAL H A 61 TYR HA 1.0 . 2.88 1135 952 A 55 ASP H A 61 TYR HA 1.0 . 4.05 1136 953 A 52 LEU HBy A 61 TYR HA 1.0 . 4.78 1137 954 A 53 TYR H A 61 TYR HA 1.0 . 4.84 1138 955 A 7 TYR HD% A 7 TYR HA 1.0 . 3.85 1139 956 A 69 ALA HB% A 70 ASP H 1.0 . 4.24 1140 957 A 55 ASP H A 60 THR HG2% 1.0 . 5.13 1141 958 A 58 ARG H A 60 THR HG2% 1.0 . 5.31 1142 959 A 61 TYR H A 60 THR HG2% 1.0 . 3.88 1143 960 A 60 THR H A 60 THR HG2% 1.0 . 3.78 1144 961 A 62 VAL HA A 60 THR HG2% 1.0 . 4.59 1145 962 A 60 THR HA A 60 THR HG2% 1.0 . 3.83 1146 963 A 60 THR HG2% A 58 ARG HDx 1.0 . 4.00 1147 963 A 58 ARG HDy A 60 THR HG2% 1.0 . 4.00 1148 964 A 55 ASP HBy A 60 THR HG2% 1.0 . 3.86 1149 965 A 60 THR HG2% A 58 ARG HBy 1.0 . 3.47 1150 966 A 58 ARG HBx A 60 THR HG2% 1.0 . 3.22 1151 967 A 44 TYR H A 43 TYR HA 1.0 . 3.25 1152 968 A 37 ASP H A 43 TYR HA 1.0 . 4.14 1153 969 A 43 TYR HD% A 43 TYR HA 1.0 . 4.02 1154 970 A 43 TYR HA A 36 TYR HD% 1.0 . 4.93 1155 971 A 35 TYR HA A 28 TYR HA 1.0 . 3.20 1156 972 A 46 ALA HB% A 34 LEU HDy% 1.0 . 5.47 1157 973 A 46 ALA H A 46 ALA HB% 1.0 . 2.94 1158 974 A 46 ALA HB% A 47 GLN H 1.0 . 3.65 1159 975 A 35 TYR HE% A 46 ALA HB% 1.0 . 3.50 1160 976 A 46 ALA HB% A 45 ASN HA 1.0 . 4.17 1161 977 A 47 GLN HA A 46 ALA HB% 1.0 . 4.61 1162 978 A 35 TYR HA A 29 ASP HBy 1.0 . 5.30 1163 979 A 49 GLN HA A 48 SER H 1.0 . 4.57 1164 980 A 44 TYR HE% A 49 GLN HA 1.0 . 3.93 1165 981 A 49 GLN HA A 49 GLN HBx 1.0 . 3.00 1166 982 A 49 GLN HA A 50 GLN HA 1.0 . 5.05 1167 983 A 43 TYR H A 42 TYR HA 1.0 . 2.99 1168 984 A 43 TYR HD% A 36 TYR HA 1.0 . 4.59 1169 985 A 43 TYR HA A 36 TYR HA 1.0 . 3.27 1170 986 A 37 ASP H A 36 TYR HA 1.0 . 3.01 1171 987 A 37 ASP HBx A 36 TYR HA 1.0 . 4.69 1172 988 A 44 TYR H A 36 TYR HA 1.0 . 4.60 1173 989 A 55 ASP H A 54 TRP HA 1.0 . 2.89 1174 990 A 54 TRP HE3 A 54 TRP HA 1.0 . 3.81 1175 991 A 54 TRP HA A 61 TYR HA 1.0 . 3.48 1176 992 A 55 ASP HBy A 54 TRP HA 1.0 . 5.05 1177 993 A 42 TYR HA A 42 TYR HE% 1.0 . 5.27 1178 994 A 42 TYR HA A 53 TYR HA 1.0 . 4.37 1179 995 A 45 ASN HBx A 44 TYR HA 1.0 . 4.72 1180 996 A 46 ALA H A 44 TYR HA 1.0 . 4.92 1181 997 A 9 GLN HA A 9 GLN HGx 1.0 . 3.41 1182 997 A 9 GLN HA A 9 GLN HGy 1.0 . 3.41 1183 998 A 80 LYS HA A 80 LYS HGy 1.0 . 3.70 1184 998 A 80 LYS HGx A 80 LYS HA 1.0 . 3.70 1185 999 A 79 SER HA A 84 GLU HA 1.0 . 2.40 1186 1000 A 84 GLU HBy A 84 GLU HA 1.0 . 2.96 1187 1001 A 59 ARG HA A 59 ARG HGx 1.0 . 3.67 1188 1001 A 59 ARG HGy A 59 ARG HA 1.0 . 3.67 1189 1002 A 77 ALA HB% A 76 GLY HAx 1.0 . 4.90 1190 1002 A 76 GLY HAy A 77 ALA HB% 1.0 . 4.90 1191 1003 A 77 ALA HB% A 78 PRO HDy 1.0 . 4.22 1192 1004 A 77 ALA HB% A 78 PRO HDx 1.0 . 3.67 1193 1005 A 52 LEU H A 44 TYR HA 1.0 . 4.16 1194 1006 A 51 TYR HA A 44 TYR HA 1.0 . 3.33 1195 1007 A 45 ASN H A 44 TYR HA 1.0 . 2.95 1196 1008 A 45 ASN HBy A 44 TYR HA 1.0 . 4.87 1197 1009 A 75 THR HG2% A 74 GLU HA 1.0 . 5.22 1198 1010 A 75 THR H A 74 GLU HA 1.0 . 3.45 1199 1011 A 10 TYR HA A 11 PRO HDy 1.0 . 2.92 1200 1012 A 10 TYR HA A 11 PRO HGx 1.0 . 4.30 1201 1012 A 11 PRO HGy A 10 TYR HA 1.0 . 4.30 1202 1013 A 82 GLY H A 81 GLU HA 1.0 . 3.36 1203 1014 A 58 ARG HA A 58 ARG HGx 1.0 . 3.07 1204 1015 A 53 TYR HD% A 53 TYR HA 1.0 . 4.53 1205 1016 A 54 TRP H A 53 TYR HA 1.0 . 3.25 1206 1017 A 39 ASN HA A 39 ASN HBx 1.0 . 2.97 1207 1018 A 67 GLN HA A 67 GLN HGx 1.0 . 3.40 1208 1018 A 67 GLN HA A 67 GLN HGy 1.0 . 3.40 1209 1019 A 43 TYR H A 53 TYR HA 1.0 . 5.15 1210 1020 A 62 VAL HGy% A 53 TYR HA 1.0 . 5.50 1211 1021 A 65 LEU HA A 65 LEU HBx 1.0 . 2.90 1212 1022 A 65 LEU HA A 65 LEU HDy% 1.0 . 3.24 1213 1023 A 26 TYR HA A 38 PRO HDy 1.0 . 4.86 1214 1024 A 27 TYR HD% A 26 TYR HA 1.0 . 5.32 1215 1025 A 26 TYR HA A 38 PRO HDx 1.0 . 4.33 1216 1026 A 26 TYR HA A 38 PRO HGx 1.0 . 4.82 1217 1026 A 26 TYR HA A 38 PRO HGy 1.0 . 4.82 1218 1027 A 18 TYR HA A 19 GLN H 1.0 . 2.99 1219 1028 A 18 TYR HA A 30 PRO HDy 1.0 . 4.11 1220 1029 A 18 TYR HA A 30 PRO HGy 1.0 . 4.67 1221 1029 A 18 TYR HA A 30 PRO HGx 1.0 . 4.67 1222 1030 A 18 TYR HA A 19 GLN HGx 1.0 . 4.66 1223 1030 A 19 GLN HGy A 18 TYR HA 1.0 . 4.66 1224 1031 A 53 TYR H A 52 LEU HA 1.0 . 3.23 1225 1032 A 64 ALA H A 52 LEU HA 1.0 . 3.34 1226 1033 A 63 PRO HA A 52 LEU HA 1.0 . 3.30 1227 1034 A 20 TYR H A 19 GLN HA 1.0 . 2.89 1228 1035 A 19 GLN HA A 20 TYR HBx 1.0 . 4.52 1229 1036 A 70 ASP HA A 70 ASP HBx 1.0 . 2.82 1230 1036 A 70 ASP HBy A 70 ASP HA 1.0 . 2.82 1231 1037 A 27 TYR HD% A 19 GLN HA 1.0 . 4.95 1232 1038 A 34 LEU HA A 35 TYR H 1.0 . 3.01 1233 1039 A 34 LEU HA A 34 LEU HG 1.0 . 4.03 1234 1040 A 34 LEU HA A 34 LEU HDx% 1.0 . 5.00 1235 1041 A 49 GLN H A 46 ALA HA 1.0 . 4.21 1236 1042 A 50 GLN H A 46 ALA HA 1.0 . 4.71 1237 1043 A 48 SER H A 46 ALA HA 1.0 . 5.04 1238 1044 A 69 ALA HA A 70 ASP HA 1.0 . 4.56 1239 1045 A 21 ASP HA A 23 THR HG2% 1.0 . 4.23 1240 1046 A 15 VAL H A 14 ASP HA 1.0 . 2.65 1241 1047 A 65 LEU H A 64 ALA HA 1.0 . 2.87 1242 1048 A 53 TYR HE% A 64 ALA HA 1.0 . 4.04 1243 1049 A 53 TYR HE% A 55 ASP HA 1.0 . 4.41 1244 1050 A 56 GLY H A 55 ASP HA 1.0 . 2.95 1245 1051 A 27 TYR H A 38 PRO HDx 1.0 . 4.87 1246 1052 A 36 TYR HE% A 38 PRO HDx 1.0 . 5.50 1247 1053 A 38 PRO HDx A 37 ASP HA 1.0 . 3.21 1248 1054 A 63 PRO HDy A 62 VAL HB 1.0 . 4.09 1249 1055 A 63 PRO HDx A 62 VAL HGy% 1.0 . 4.41 1250 1056 A 46 ALA H A 45 ASN HA 1.0 . 2.81 1251 1057 A 18 TYR HD% A 30 PRO HDy 1.0 . 5.38 1252 1058 A 19 GLN H A 30 PRO HDy 1.0 . 4.47 1253 1059 A 31 GLN H A 30 PRO HDy 1.0 . 4.08 1254 1060 A 30 PRO HDx A 28 TYR HD% 1.0 . 5.19 1255 1061 A 30 PRO HDx A 31 GLN H 1.0 . 3.85 1256 1062 A 30 PRO HDx A 18 TYR HA 1.0 . 4.26 1257 1063 A 30 PRO HDx A 29 ASP HA 1.0 . 3.11 1258 1064 A 30 PRO HDx A 29 ASP HBx 1.0 . 4.98 1259 1065 A 30 PRO HDx A 18 TYR HD% 1.0 . 4.87 1260 1066 A 30 PRO HDx A 19 GLN HGx 1.0 . 4.79 1261 1066 A 19 GLN HGy A 30 PRO HDx 1.0 . 4.79 1262 1067 A 45 ASN HA A 45 ASN HD2y 1.0 . 4.65 1263 1068 A 77 ALA HA A 76 GLY HAx 1.0 . 5.14 1264 1068 A 77 ALA HA A 76 GLY HAy 1.0 . 5.14 1265 1069 A 10 TYR H A 11 PRO HDy 1.0 . 5.17 1266 1070 A 10 TYR HD% A 11 PRO HDy 1.0 . 4.45 1267 1071 A 10 TYR HD% A 11 PRO HDx 1.0 . 4.31 1268 1072 A 10 TYR HBy A 11 PRO HDy 1.0 . 4.01 1269 1073 A 77 ALA HA A 78 PRO HDy 1.0 . 3.08 1270 1074 A 10 TYR HBy A 11 PRO HDx 1.0 . 3.69 1271 1075 A 10 TYR HBx A 11 PRO HDx 1.0 . 4.20 1272 1076 A 10 TYR HA A 11 PRO HDx 1.0 . 3.18 1273 1077 A 10 TYR H A 11 PRO HDx 1.0 . 5.11 1274 1078 A 32 THR HG2% A 11 PRO HDx 1.0 . 5.50 1275 1079 A 77 ALA HA A 78 PRO HDx 1.0 . 3.26 1276 1080 A 27 TYR H A 37 ASP HA 1.0 . 4.82 1277 1081 A 39 ASN H A 37 ASP HA 1.0 . 4.33 1278 1082 A 38 PRO HDy A 37 ASP HA 1.0 . 3.08 1279 1083 A 26 TYR HD% A 37 ASP HA 1.0 . 4.16 1280 1084 A 26 TYR HE% A 37 ASP HA 1.0 . 4.89 1281 1085 A 29 ASP HA A 30 PRO HDy 1.0 . 3.11 1282 1086 A 52 LEU HA A 53 TYR HD% 1.0 . 4.08 1283 1087 A 53 TYR HD% A 62 VAL HGy% 1.0 . 3.33 1284 1088 A 53 TYR H A 53 TYR HD% 1.0 . 3.14 1285 1089 A 54 TRP H A 53 TYR HD% 1.0 . 3.92 1286 1090 A 53 TYR HD% A 64 ALA HA 1.0 . 2.69 1287 1091 A 55 ASP HBx A 53 TYR HD% 1.0 . 3.67 1288 1092 A 64 ALA HB% A 53 TYR HD% 1.0 . 2.95 1289 1093 A 10 TYR H A 10 TYR HD% 1.0 . 3.20 1290 1094 A 32 THR HG2% A 10 TYR HD% 1.0 . 3.21 1291 1095 A 10 TYR HD% A 10 TYR HA 1.0 . 2.96 1292 1096 A 60 THR HA A 10 TYR HD% 1.0 . 2.89 1293 1097 A 35 TYR HD% A 28 TYR HA 1.0 . 3.33 1294 1098 A 35 TYR HD% A 26 TYR HBy 1.0 . 3.52 1295 1099 A 35 TYR HD% A 46 ALA HB% 1.0 . 3.13 1296 1100 A 43 TYR HD% A 34 LEU HBy 1.0 . 3.57 1297 1101 A 43 TYR HD% A 34 LEU HBx 1.0 . 3.23 1298 1102 A 43 TYR HD% A 34 LEU HDx% 1.0 . 3.32 1299 1103 A 43 TYR HD% A 54 TRP H 1.0 . 3.88 1300 1104 A 43 TYR HD% A 53 TYR HA 1.0 . 3.19 1301 1105 A 43 TYR HD% A 34 LEU HDy% 1.0 . 4.23 1302 1106 A 43 TYR HD% A 43 TYR H 1.0 . 2.82 1303 1107 A 51 TYR HD% A 51 TYR HA 1.0 . 2.84 1304 1108 A 51 TYR HD% A 50 GLN HA 1.0 . 3.54 1305 1109 A 35 TYR HD% A 35 TYR HA 1.0 . 3.25 1306 1110 A 35 TYR HD% A 35 TYR H 1.0 . 3.07 1307 1111 A 35 TYR HD% A 44 TYR HBx 1.0 . 4.15 1308 1112 A 35 TYR HD% A 36 TYR H 1.0 . 4.01 1309 1113 A 35 TYR HD% A 44 TYR HD% 1.0 . 3.52 1310 1114 A 51 TYR HD% A 44 TYR HA 1.0 . 4.28 1311 1115 A 51 TYR HD% A 42 TYR HBy 1.0 . 2.88 1312 1116 A 51 TYR HD% A 51 TYR H 1.0 . 3.01 1313 1117 A 7 TYR HD% A 5 GLU HGx 1.0 . 4.43 1314 1117 A 7 TYR HD% A 5 GLU HGy 1.0 . 4.43 1315 1118 A 28 TYR H A 27 TYR HD% 1.0 . 4.28 1316 1119 A 27 TYR HD% A 27 TYR H 1.0 . 2.99 1317 1120 A 27 TYR HD% A 36 TYR HD% 1.0 . 3.56 1318 1121 A 27 TYR HA A 27 TYR HD% 1.0 . 3.07 1319 1122 A 27 TYR HD% A 38 PRO HDy 1.0 . 3.90 1320 1123 A 27 TYR HD% A 38 PRO HDx 1.0 . 3.14 1321 1124 A 20 TYR HA A 27 TYR HD% 1.0 . 4.06 1322 1125 A 27 TYR HD% A 38 PRO HGx 1.0 . 4.03 1323 1125 A 27 TYR HD% A 38 PRO HGy 1.0 . 4.03 1324 1126 A 27 TYR HD% A 20 TYR HD% 1.0 . 4.32 1325 1127 A 28 TYR HA A 28 TYR HD% 1.0 . 2.70 1326 1128 A 28 TYR HD% A 19 GLN HBx 1.0 . 3.40 1327 1129 A 36 TYR HD% A 38 PRO HDx 1.0 . 4.09 1328 1130 A 29 ASP H A 28 TYR HD% 1.0 . 3.19 1329 1131 A 35 TYR HD% A 28 TYR HD% 1.0 . 3.68 1330 1132 A 35 TYR HA A 28 TYR HD% 1.0 . 3.42 1331 1133 A 28 TYR HD% A 30 PRO HDy 1.0 . 3.22 1332 1134 A 37 ASP H A 36 TYR HD% 1.0 . 3.36 1333 1135 A 36 TYR HD% A 36 TYR HA 1.0 . 2.96 1334 1136 A 36 TYR HD% A 27 TYR HBy 1.0 . 3.34 1335 1137 A 36 TYR HD% A 15 VAL HGy% 1.0 . 4.01 1336 1138 A 27 TYR HBx A 36 TYR HD% 1.0 . 3.72 1337 1139 A 44 TYR HD% A 46 ALA HB% 1.0 . 3.45 1338 1140 A 44 TYR H A 44 TYR HD% 1.0 . 4.45 1339 1141 A 44 TYR HD% A 35 TYR H 1.0 . 3.90 1340 1142 A 45 ASN H A 44 TYR HD% 1.0 . 3.29 1341 1143 A 44 TYR HD% A 44 TYR HA 1.0 . 2.82 1342 1144 A 44 TYR HD% A 46 ALA HA 1.0 . 3.82 1343 1145 A 44 TYR HD% A 35 TYR HBy 1.0 . 3.59 1344 1146 A 22 GLU H A 20 TYR HD% 1.0 . 3.72 1345 1147 A 22 GLU HA A 20 TYR HD% 1.0 . 3.88 1346 1148 A 20 TYR HD% A 22 GLU HGx 1.0 . 3.54 1347 1148 A 20 TYR HD% A 22 GLU HGy 1.0 . 3.54 1348 1149 A 20 TYR HD% A 22 GLU HBx 1.0 . 3.65 1349 1149 A 20 TYR HD% A 22 GLU HBy 1.0 . 3.65 1350 1150 A 21 ASP H A 20 TYR HD% 1.0 . 3.25 1351 1151 A 27 TYR HA A 20 TYR HD% 1.0 . 3.36 1352 1152 A 43 TYR H A 42 TYR HD% 1.0 . 4.64 1353 1153 A 42 TYR HD% A 42 TYR HA 1.0 . 3.04 1354 1154 A 64 ALA HB% A 42 TYR HD% 1.0 . 3.49 1355 1155 A 61 TYR H A 61 TYR HD% 1.0 . 3.03 1356 1156 A 61 TYR HD% A 10 TYR HE% 1.0 . 4.29 1357 1157 A 61 TYR HD% A 61 TYR HA 1.0 . 3.42 1358 1158 A 61 TYR HD% A 34 LEU HDx% 1.0 . 3.60 1359 1159 A 61 TYR HD% A 10 TYR HBx 1.0 . 5.08 1360 1160 A 61 TYR HD% A 54 TRP HA 1.0 . 3.57 1361 1161 A 26 TYR HD% A 26 TYR H 1.0 . 4.03 1362 1162 A 26 TYR HD% A 37 ASP HBx 1.0 . 3.64 1363 1163 A 27 TYR H A 26 TYR HD% 1.0 . 3.90 1364 1164 A 26 TYR HD% A 26 TYR HA 1.0 . 2.93 1365 1165 A 18 TYR HD% A 15 VAL HA 1.0 . 4.04 1366 1166 A 18 TYR HD% A 29 ASP HA 1.0 . 3.43 1367 1167 A 36 TYR HBx A 18 TYR HD% 1.0 . 3.75 1368 1168 A 18 TYR HD% A 18 TYR H 1.0 . 3.46 1369 1169 A 18 TYR HD% A 18 TYR HA 1.0 . 2.78 1370 1170 A 18 TYR HD% A 19 GLN H 1.0 . 3.91 1371 1171 A 29 ASP HBx A 18 TYR HD% 1.0 . 4.06 1372 1172 A 54 TRP HBy A 54 TRP HD1 1.0 . 3.04 1373 1173 A 10 TYR H A 54 TRP HH2 1.0 . 4.12 1374 1174 A 54 TRP HH2 A 10 TYR HBx 1.0 . 3.62 1375 1175 A 54 TRP HH2 A 12 VAL HGy% 1.0 . 3.93 1376 1176 A 54 TRP HH2 A 59 ARG HA 1.0 . 3.27 1377 1177 A 54 TRP HH2 A 59 ARG HBy 1.0 . 3.16 1378 1178 A 54 TRP HH2 A 59 ARG HGx 1.0 . 3.64 1379 1178 A 59 ARG HGy A 54 TRP HH2 1.0 . 3.64 1380 1179 A 54 TRP HZ3 A 60 THR HA 1.0 . 3.73 1381 1180 A 54 TRP HZ3 A 10 TYR HBy 1.0 . 4.10 1382 1181 A 54 TRP HZ3 A 10 TYR HBx 1.0 . 3.45 1383 1182 A 61 TYR H A 54 TRP HZ3 1.0 . 4.38 1384 1183 A 89 HIS HA A 89 HIS HD2 1.0 . 3.94 1385 1184 A 72 HIS HA A 72 HIS HD2 1.0 . 3.82 1386 1185 A 89 HIS HD2 A 89 HIS HBy 1.0 . 3.54 1387 1186 A 18 TYR HE% A 14 ASP H 1.0 . 3.51 1388 1187 A 18 TYR HE% A 18 TYR H 1.0 . 5.26 1389 1188 A 36 TYR HBy A 18 TYR HE% 1.0 . 3.26 1390 1189 A 36 TYR HBx A 18 TYR HE% 1.0 . 3.28 1391 1190 A 18 TYR HE% A 15 VAL HB 1.0 . 4.31 1392 1191 A 18 TYR HE% A 15 VAL HGy% 1.0 . 3.12 1393 1192 A 18 TYR HE% A 15 VAL HA 1.0 . 3.45 1394 1193 A 29 ASP HBx A 18 TYR HE% 1.0 . 3.44 1395 1194 A 18 TYR HA A 18 TYR HE% 1.0 . 4.29 1396 1195 A 38 PRO HDx A 27 TYR HE% 1.0 . 3.86 1397 1196 A 20 TYR HA A 27 TYR HE% 1.0 . 4.29 1398 1197 A 38 PRO HBy A 27 TYR HE% 1.0 . 3.50 1399 1198 A 20 TYR H A 27 TYR HE% 1.0 . 4.03 1400 1199 A 27 TYR HE% A 20 TYR HBx 1.0 . 3.00 1401 1199 A 27 TYR HE% A 20 TYR HBy 1.0 . 3.00 1402 1200 A 27 TYR HE% A 38 PRO HGx 1.0 . 2.96 1403 1200 A 38 PRO HGy A 27 TYR HE% 1.0 . 2.96 1404 1201 A 20 TYR HD% A 27 TYR HE% 1.0 . 3.49 1405 1202 A 61 TYR HE% A 10 TYR HD% 1.0 . 3.77 1406 1203 A 10 TYR HE% A 61 TYR HE% 1.0 . 3.87 1407 1204 A 10 TYR HE% A 60 THR HA 1.0 . 3.83 1408 1205 A 35 TYR HE% A 26 TYR HBy 1.0 . 4.36 1409 1206 A 35 TYR HE% A 28 TYR HE% 1.0 . 3.55 1410 1207 A 35 TYR HE% A 28 TYR HD% 1.0 . 3.40 1411 1208 A 35 TYR HE% A 28 TYR HBx 1.0 . 3.04 1412 1208 A 35 TYR HE% A 28 TYR HBy 1.0 . 3.04 1413 1209 A 61 TYR HE% A 10 TYR HBy 1.0 . 4.04 1414 1210 A 61 TYR HE% A 54 TRP HBx 1.0 . 3.25 1415 1211 A 34 LEU HDx% A 61 TYR HE% 1.0 . 3.59 1416 1212 A 10 TYR HE% A 32 THR HG2% 1.0 . 3.34 1417 1213 A 34 LEU HDx% A 43 TYR HE% 1.0 . 3.97 1418 1214 A 55 ASP HBy A 53 TYR HE% 1.0 . 4.15 1419 1215 A 53 TYR HE% A 64 ALA HB% 1.0 . 3.77 1420 1216 A 53 TYR HE% A 62 VAL HGy% 1.0 . 3.19 1421 1217 A 53 TYR HE% A 55 ASP HBx 1.0 . 3.11 1422 1218 A 44 TYR HE% A 51 TYR HE% 1.0 . 3.38 1423 1219 A 51 TYR HE% A 44 TYR HD% 1.0 . 3.86 1424 1220 A 36 TYR HBy A 43 TYR HE% 1.0 . 3.31 1425 1221 A 54 TRP H A 43 TYR HE% 1.0 . 3.45 1426 1222 A 54 TRP HBx A 43 TYR HE% 1.0 . 3.04 1427 1223 A 64 ALA HB% A 42 TYR HE% 1.0 . 2.87 1428 1224 A 26 TYR HE% A 37 ASP HBx 1.0 . 3.22 1429 1225 A 21 ASP H A 20 TYR HE% 1.0 . 4.28 1430 1226 A 20 TYR HE% A 25 GLY HAy 1.0 . 3.30 1431 1227 A 20 TYR HE% A 22 GLU HBx 1.0 . 3.02 1432 1227 A 22 GLU HBy A 20 TYR HE% 1.0 . 3.02 1433 1228 A 22 GLU HA A 20 TYR HE% 1.0 . 2.51 1434 1229 A 20 TYR HE% A 22 GLU HGx 1.0 . 3.57 1435 1229 A 22 GLU HGy A 20 TYR HE% 1.0 . 3.57 1436 1230 A 22 GLU H A 20 TYR HE% 1.0 . 4.14 1437 1231 A 28 TYR HE% A 33 GLY HAx 1.0 . 2.83 1438 1232 A 28 TYR HE% A 30 PRO HBy 1.0 . 3.05 1439 1233 A 36 TYR HE% A 41 GLN HE2x 1.0 . 3.74 1440 1234 A 36 TYR HE% A 15 VAL HB 1.0 . 3.94 1441 1235 A 36 TYR HE% A 41 GLN HBx 1.0 . 3.09 1442 1236 A 36 TYR HE% A 41 GLN HGx 1.0 . 2.96 1443 1237 A 36 TYR HE% A 15 VAL HGy% 1.0 . 3.16 1444 1238 A 36 TYR HE% A 41 GLN HA 1.0 . 2.80 1445 1239 A 44 TYR HE% A 46 ALA HA 1.0 . 2.55 1446 1240 A 44 TYR HE% A 49 GLN HBx 1.0 . 3.35 1447 1241 A 44 TYR HE% A 46 ALA HB% 1.0 . 2.73 1448 1242 A 54 TRP HZ2 A 12 VAL HGx% 1.0 . 3.28 1449 1243 A 54 TRP HZ2 A 12 VAL HA 1.0 . 3.09 1450 1244 A 13 PRO HDy A 54 TRP HZ2 1.0 . 3.41 1451 1245 A 54 TRP HZ2 A 12 VAL HGy% 1.0 . 2.92 1452 1246 A 54 TRP HZ2 A 59 ARG HA 1.0 . 3.60 1453 1247 A 54 TRP HZ2 A 59 ARG HGx 1.0 . 3.17 1454 1247 A 59 ARG HGy A 54 TRP HZ2 1.0 . 3.17 stop_ save_