data_nef_c25027_2mqc 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 2MQC BMRB 25026 BMRB 25028 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 GLY middle . false 5 A 5 SER middle . . 6 A 6 PRO middle . false 7 A 7 VAL middle . . 8 A 8 SER middle . . 9 A 9 TYR middle . . 10 A 10 TYR middle . . 11 A 11 PHE middle . . 12 A 12 SER middle . . 13 A 13 TYR middle . . 14 A 14 ALA middle . . 15 A 15 ASP middle . . 16 A 16 GLY middle . false 17 A 17 GLY middle . false 18 A 18 THR middle . . 19 A 19 SER middle . . 20 A 20 HIS middle . . 21 A 21 THR middle . . 22 A 22 GLU middle . . 23 A 23 TYR middle . . 24 A 24 PRO middle . false 25 A 25 ASP middle . . 26 A 26 ASP middle . . 27 A 27 SER middle . . 28 A 28 SER middle . . 29 A 29 ALA middle . . 30 A 30 GLY middle . false 31 A 31 SER middle . . 32 A 32 PHE middle . . 33 A 33 ILE middle . . 34 A 34 LEU middle . . 35 A 35 ASP middle . . 36 A 36 ILE middle . . 37 A 37 THR middle . . 38 A 38 SER middle . . 39 A 39 TYR middle . . 40 A 40 LYS middle . . 41 A 41 LYS middle . . 42 A 42 THR middle . . 43 A 43 GLY middle . false 44 A 44 ASN middle . . 45 A 45 SER middle . . 46 A 46 THR middle . . 47 A 47 LYS middle . . 48 A 48 ALA middle . . 49 A 49 LEU middle . . 50 A 50 SER middle . . 51 A 51 TRP middle . . 52 A 52 ASN middle . . 53 A 53 ALA middle . . 54 A 54 SER middle . . 55 A 55 GLY middle . false 56 A 56 ASP middle . . 57 A 57 SER middle . . 58 A 58 TRP middle . . 59 A 59 ILE middle . . 60 A 60 HIS middle . . 61 A 61 VAL middle . . 62 A 62 ASN middle . . 63 A 63 GLY middle . false 64 A 64 SER middle . . 65 A 65 SER middle . . 66 A 66 VAL middle . . 67 A 67 SER middle . . 68 A 68 TYR middle . . 69 A 69 ASP middle . . 70 A 70 GLU middle . . 71 A 71 ASN middle . . 72 A 72 PRO middle . false 73 A 73 ALA middle . . 74 A 74 LYS middle . . 75 A 75 GLU middle . . 76 A 76 ARG middle . . 77 A 77 ARG middle . . 78 A 78 THR middle . . 79 A 79 GLY middle . false 80 A 80 LEU middle . . 81 A 81 VAL middle . . 82 A 82 THR middle . . 83 A 83 LEU middle . . 84 A 84 LYS middle . . 85 A 85 GLN middle . . 86 A 86 ASP middle . . 87 A 87 GLU middle . . 88 A 88 SER middle . . 89 A 89 GLY middle . false 90 A 90 LYS middle . . 91 A 91 THR middle . . 92 A 92 LEU middle . . 93 A 93 SER middle . . 94 A 94 LEU middle . . 95 A 95 LYS middle . . 96 A 96 ILE middle . . 97 A 97 VAL middle . . 98 A 98 GLN middle . . 99 A 99 PRO middle . false 100 A 100 GLY middle . false 101 A 101 LYS middle . . 102 A 102 THR middle . . 103 A 103 SER middle . . 104 A 104 ILE middle . . 105 A 105 ASP 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 2 HIS HA H 1 4.619 0.006 A 2 HIS HBy H 1 3.087 0.006 A 2 HIS HBx H 1 3.057 0.006 A 2 HIS CA C 13 53.471 0.129 A 2 HIS CB C 13 27.974 0.129 A 3 MET HA H 1 4.413 0.006 A 3 MET HBx H 1 1.875 0.006 A 3 MET HBy H 1 2.011 0.006 A 3 MET HE% H 1 2.012 0.006 A 3 MET CA C 13 52.771 0.129 A 3 MET CB C 13 29.974 0.129 A 3 MET CE C 13 14.371 0.129 A 4 GLY H H 1 8.373 0.006 A 4 GLY HA2 H 1 3.900 0.006 A 4 GLY HA3 H 1 3.900 0.006 A 4 GLY CA C 13 42.564 0.129 A 4 GLY N N 15 110.417 0.160 A 5 SER H H 1 8.174 0.006 A 5 SER HA H 1 4.693 0.006 A 5 SER HB2 H 1 3.706 0.006 A 5 SER HB3 H 1 3.706 0.006 A 5 SER CA C 13 53.789 0.129 A 5 SER CB C 13 60.988 0.129 A 5 SER N N 15 117.002 0.160 A 6 PRO HA H 1 4.411 0.006 A 6 PRO HBx H 1 1.877 0.006 A 6 PRO HBy H 1 2.194 0.006 A 6 PRO HDy H 1 3.755 0.006 A 6 PRO HDx H 1 3.654 0.006 A 6 PRO HG2 H 1 1.954 0.006 A 6 PRO HG3 H 1 1.954 0.006 A 6 PRO CA C 13 60.732 0.129 A 6 PRO CB C 13 29.626 0.129 A 6 PRO CD C 13 48.180 0.129 A 6 PRO CG C 13 24.902 0.129 A 7 VAL H H 1 8.084 0.006 A 7 VAL HA H 1 4.503 0.006 A 7 VAL HB H 1 1.712 0.006 A 7 VAL HGx% H 1 0.428 0.006 A 7 VAL HGy% H 1 0.740 0.006 A 7 VAL CA C 13 58.652 0.129 A 7 VAL CB C 13 31.323 0.129 A 7 VAL CGx C 13 18.763 0.129 A 7 VAL CGy C 13 19.140 0.129 A 7 VAL N N 15 122.064 0.160 A 8 SER H H 1 8.396 0.006 A 8 SER HA H 1 4.589 0.006 A 8 SER HBy H 1 3.646 0.006 A 8 SER HBx H 1 3.603 0.006 A 8 SER CA C 13 54.325 0.129 A 8 SER CB C 13 63.086 0.129 A 8 SER N N 15 120.861 0.160 A 9 TYR H H 1 8.500 0.006 A 9 TYR HA H 1 4.724 0.006 A 9 TYR HBx H 1 2.407 0.006 A 9 TYR HBy H 1 2.935 0.006 A 9 TYR HD1 H 1 6.833 0.006 A 9 TYR HD2 H 1 6.833 0.006 A 9 TYR HE1 H 1 6.561 0.006 A 9 TYR HE2 H 1 6.561 0.006 A 9 TYR CA C 13 55.286 0.129 A 9 TYR CB C 13 38.950 0.129 A 9 TYR CDx C 13 130.647 0.129 A 9 TYR CDy C 13 130.650 0.129 A 9 TYR CEy C 13 115.012 0.129 A 9 TYR CEx C 13 115.011 0.129 A 9 TYR N N 15 120.699 0.160 A 10 TYR H H 1 8.803 0.006 A 10 TYR HA H 1 4.280 0.006 A 10 TYR HBy H 1 2.261 0.006 A 10 TYR HBx H 1 1.703 0.006 A 10 TYR HD1 H 1 6.523 0.006 A 10 TYR HD2 H 1 6.523 0.006 A 10 TYR HE1 H 1 6.525 0.006 A 10 TYR HE2 H 1 6.525 0.006 A 10 TYR CA C 13 54.674 0.129 A 10 TYR CB C 13 37.307 0.129 A 10 TYR CDx C 13 130.830 0.129 A 10 TYR CDy C 13 130.830 0.129 A 10 TYR CEx C 13 114.606 0.129 A 10 TYR CEy C 13 114.610 0.129 A 10 TYR N N 15 122.060 0.160 A 11 PHE H H 1 8.704 0.006 A 11 PHE HA H 1 5.724 0.006 A 11 PHE HBx H 1 2.569 0.006 A 11 PHE HBy H 1 2.767 0.006 A 11 PHE CA C 13 52.497 0.129 A 11 PHE CB C 13 38.019 0.129 A 11 PHE N N 15 127.349 0.160 A 12 SER H H 1 8.678 0.006 A 12 SER HA H 1 4.286 0.006 A 12 SER HBy H 1 3.780 0.006 A 12 SER HBx H 1 3.574 0.006 A 12 SER CA C 13 55.603 0.129 A 12 SER CB C 13 63.438 0.129 A 12 SER N N 15 120.175 0.160 A 13 TYR H H 1 8.184 0.006 A 13 TYR HA H 1 4.599 0.006 A 13 TYR HBy H 1 3.248 0.006 A 13 TYR HBx H 1 2.650 0.006 A 13 TYR HD1 H 1 6.704 0.006 A 13 TYR HD2 H 1 6.704 0.006 A 13 TYR HE1 H 1 6.212 0.006 A 13 TYR HE2 H 1 6.212 0.006 A 13 TYR CA C 13 57.774 0.129 A 13 TYR CB C 13 36.009 0.129 A 13 TYR CDx C 13 129.916 0.129 A 13 TYR CDy C 13 129.920 0.129 A 13 TYR CEx C 13 114.808 0.129 A 13 TYR CEy C 13 114.810 0.129 A 13 TYR N N 15 117.874 0.160 A 14 ALA H H 1 8.637 0.006 A 14 ALA HA H 1 3.984 0.006 A 14 ALA HB% H 1 1.296 0.006 A 14 ALA CA C 13 52.812 0.129 A 14 ALA CB C 13 15.902 0.129 A 14 ALA N N 15 126.733 0.160 A 15 ASP H H 1 7.862 0.006 A 15 ASP HA H 1 4.423 0.006 A 15 ASP HBy H 1 3.006 0.006 A 15 ASP HBx H 1 2.592 0.006 A 15 ASP CA C 13 51.104 0.129 A 15 ASP CB C 13 37.462 0.129 A 15 ASP N N 15 114.163 0.160 A 16 GLY H H 1 8.252 0.006 A 16 GLY HAx H 1 3.632 0.006 A 16 GLY HAy H 1 4.385 0.006 A 16 GLY CA C 13 42.505 0.129 A 16 GLY N N 15 108.719 0.160 A 17 GLY H H 1 8.425 0.006 A 17 GLY HAy H 1 4.445 0.006 A 17 GLY HAx H 1 4.117 0.006 A 17 GLY CA C 13 42.311 0.129 A 17 GLY N N 15 108.995 0.160 A 18 THR H H 1 8.502 0.006 A 18 THR HA H 1 4.797 0.006 A 18 THR HG2% H 1 1.183 0.006 A 18 THR CA C 13 58.205 0.129 A 18 THR CG2 C 13 19.123 0.129 A 18 THR N N 15 105.027 0.160 A 19 SER H H 1 7.815 0.006 A 19 SER HA H 1 5.473 0.006 A 19 SER HBy H 1 3.677 0.006 A 19 SER HBx H 1 3.626 0.006 A 19 SER CA C 13 54.484 0.129 A 19 SER CB C 13 62.961 0.129 A 19 SER N N 15 116.137 0.160 A 20 HIS H H 1 7.566 0.006 A 20 HIS HA H 1 4.441 0.006 A 20 HIS HBy H 1 2.369 0.006 A 20 HIS HBx H 1 1.621 0.006 A 20 HIS CA C 13 52.740 0.129 A 20 HIS CB C 13 27.794 0.129 A 20 HIS N N 15 122.292 0.160 A 21 THR H H 1 7.925 0.006 A 21 THR HA H 1 5.045 0.006 A 21 THR HB H 1 3.417 0.006 A 21 THR HG2% H 1 0.264 0.006 A 21 THR CA C 13 58.048 0.129 A 21 THR CB C 13 67.599 0.129 A 21 THR CG2 C 13 19.272 0.129 A 21 THR N N 15 124.831 0.160 A 22 GLU H H 1 8.381 0.006 A 22 GLU HA H 1 4.004 0.006 A 22 GLU HB2 H 1 1.490 0.006 A 22 GLU HB3 H 1 1.490 0.006 A 22 GLU HGx H 1 0.978 0.006 A 22 GLU HGy H 1 1.018 0.006 A 22 GLU CA C 13 51.442 0.129 A 22 GLU CB C 13 30.798 0.129 A 22 GLU CG C 13 31.099 0.129 A 22 GLU N N 15 125.496 0.160 A 23 TYR H H 1 8.554 0.006 A 23 TYR HA H 1 4.969 0.006 A 23 TYR HBx H 1 2.670 0.006 A 23 TYR HBy H 1 2.889 0.006 A 23 TYR HD1 H 1 6.899 0.006 A 23 TYR HD2 H 1 6.899 0.006 A 23 TYR HE1 H 1 6.474 0.006 A 23 TYR HE2 H 1 6.474 0.006 A 23 TYR CA C 13 52.078 0.129 A 23 TYR CB C 13 35.966 0.129 A 23 TYR CDx C 13 130.820 0.129 A 23 TYR CDy C 13 130.820 0.129 A 23 TYR CEy C 13 114.890 0.129 A 23 TYR CEx C 13 114.889 0.129 A 23 TYR N N 15 121.046 0.160 A 24 PRO HA H 1 4.425 0.006 A 24 PRO HBx H 1 2.763 0.006 A 24 PRO HDy H 1 3.898 0.006 A 24 PRO HDx H 1 2.968 0.006 A 24 PRO HGx H 1 1.456 0.006 A 24 PRO HGy H 1 1.514 0.006 A 24 PRO CA C 13 60.491 0.129 A 24 PRO CB C 13 30.671 0.129 A 24 PRO CD C 13 47.209 0.129 A 24 PRO CG C 13 25.266 0.129 A 25 ASP H H 1 7.835 0.006 A 25 ASP HA H 1 4.590 0.006 A 25 ASP HBy H 1 3.020 0.006 A 25 ASP HBx H 1 2.770 0.006 A 25 ASP CA C 13 50.501 0.129 A 25 ASP CB C 13 40.167 0.129 A 25 ASP N N 15 110.595 0.160 A 26 ASP H H 1 7.761 0.006 A 26 ASP HBx H 1 2.062 0.006 A 26 ASP HBy H 1 2.765 0.006 A 26 ASP CB C 13 30.663 0.129 A 26 ASP N N 15 115.508 0.160 A 27 SER H H 1 8.596 0.006 A 27 SER HA H 1 4.402 0.006 A 27 SER HB2 H 1 4.426 0.006 A 27 SER HB3 H 1 4.426 0.006 A 27 SER CA C 13 53.842 0.129 A 27 SER CB C 13 60.559 0.129 A 27 SER N N 15 119.304 0.160 A 28 SER H H 1 8.219 0.006 A 28 SER HA H 1 4.189 0.006 A 28 SER HBx H 1 3.946 0.006 A 28 SER HBy H 1 3.977 0.006 A 28 SER CA C 13 56.773 0.129 A 28 SER CB C 13 61.509 0.129 A 28 SER N N 15 118.465 0.160 A 29 ALA H H 1 8.422 0.006 A 29 ALA HA H 1 4.010 0.006 A 29 ALA HB% H 1 1.444 0.006 A 29 ALA CA C 13 50.150 0.129 A 29 ALA CB C 13 17.008 0.129 A 29 ALA N N 15 123.306 0.160 A 30 GLY H H 1 6.848 0.006 A 30 GLY HAx H 1 3.688 0.006 A 30 GLY HAy H 1 4.194 0.006 A 30 GLY CA C 13 42.853 0.129 A 30 GLY N N 15 108.012 0.160 A 31 SER H H 1 8.285 0.006 A 31 SER HA H 1 5.377 0.006 A 31 SER HBx H 1 3.739 0.006 A 31 SER HBy H 1 3.775 0.006 A 31 SER CA C 13 54.728 0.129 A 31 SER CB C 13 63.552 0.129 A 31 SER N N 15 111.208 0.160 A 32 PHE H H 1 8.863 0.006 A 32 PHE HA H 1 4.907 0.006 A 32 PHE HBy H 1 3.451 0.006 A 32 PHE HBx H 1 3.147 0.006 A 32 PHE HD1 H 1 7.004 0.006 A 32 PHE HD2 H 1 7.004 0.006 A 32 PHE HE1 H 1 6.916 0.006 A 32 PHE HE2 H 1 6.916 0.006 A 32 PHE CA C 13 54.139 0.129 A 32 PHE CB C 13 37.437 0.129 A 32 PHE CDx C 13 130.239 0.129 A 32 PHE CDy C 13 130.240 0.129 A 32 PHE CEy C 13 127.012 0.129 A 32 PHE CEx C 13 127.010 0.129 A 32 PHE N N 15 116.532 0.160 A 33 ILE H H 1 8.513 0.006 A 33 ILE HA H 1 4.964 0.006 A 33 ILE HB H 1 1.739 0.006 A 33 ILE HD1% H 1 0.782 0.006 A 33 ILE HG1x H 1 1.150 0.006 A 33 ILE HG1y H 1 1.452 0.006 A 33 ILE HG2% H 1 0.866 0.006 A 33 ILE CA C 13 56.561 0.129 A 33 ILE CB C 13 37.592 0.129 A 33 ILE CD1 C 13 9.991 0.129 A 33 ILE CG1 C 13 25.037 0.129 A 33 ILE CG2 C 13 15.271 0.129 A 33 ILE N N 15 119.376 0.160 A 34 LEU H H 1 9.195 0.006 A 34 LEU HA H 1 4.425 0.006 A 34 LEU HBx H 1 1.238 0.006 A 34 LEU HBy H 1 1.639 0.006 A 34 LEU HDx% H 1 0.775 0.006 A 34 LEU HDy% H 1 0.746 0.006 A 34 LEU HG H 1 1.608 0.006 A 34 LEU CA C 13 50.959 0.129 A 34 LEU CB C 13 42.737 0.129 A 34 LEU CDy C 13 23.774 0.129 A 34 LEU CDx C 13 21.039 0.129 A 34 LEU CG C 13 24.040 0.129 A 34 LEU N N 15 127.317 0.160 A 35 ASP H H 1 8.700 0.006 A 35 ASP HA H 1 4.814 0.006 A 35 ASP HBx H 1 2.441 0.006 A 35 ASP HBy H 1 2.783 0.006 A 35 ASP CA C 13 50.667 0.129 A 35 ASP CB C 13 38.808 0.129 A 35 ASP N N 15 122.774 0.160 A 36 ILE H H 1 8.297 0.006 A 36 ILE HA H 1 3.929 0.006 A 36 ILE HB H 1 1.055 0.006 A 36 ILE HD1% H 1 -0.306 0.006 A 36 ILE HG1y H 1 0.851 0.006 A 36 ILE HG1x H 1 -0.014 0.006 A 36 ILE HG2% H 1 -0.402 0.006 A 36 ILE CA C 13 57.725 0.129 A 36 ILE CB C 13 39.332 0.129 A 36 ILE CD1 C 13 11.425 0.129 A 36 ILE CG1 C 13 25.889 0.129 A 36 ILE CG2 C 13 14.993 0.129 A 36 ILE N N 15 125.777 0.160 A 37 THR H H 1 8.957 0.006 A 37 THR HA H 1 4.263 0.006 A 37 THR HB H 1 3.937 0.006 A 37 THR HG2% H 1 1.229 0.006 A 37 THR CA C 13 59.259 0.129 A 37 THR CB C 13 66.817 0.129 A 37 THR CG2 C 13 20.151 0.129 A 37 THR N N 15 126.558 0.160 A 38 SER H H 1 8.937 0.006 A 38 SER HA H 1 5.664 0.006 A 38 SER HBy H 1 4.491 0.006 A 38 SER HBx H 1 3.745 0.006 A 38 SER CA C 13 53.225 0.129 A 38 SER CB C 13 60.981 0.129 A 38 SER N N 15 119.982 0.160 A 39 TYR H H 1 8.905 0.006 A 39 TYR HA H 1 5.368 0.006 A 39 TYR HBy H 1 3.308 0.006 A 39 TYR HBx H 1 2.832 0.006 A 39 TYR HD1 H 1 6.702 0.006 A 39 TYR HD2 H 1 6.702 0.006 A 39 TYR HE1 H 1 6.208 0.006 A 39 TYR HE2 H 1 6.208 0.006 A 39 TYR CA C 13 54.562 0.129 A 39 TYR CB C 13 37.479 0.129 A 39 TYR CDy C 13 130.420 0.129 A 39 TYR CDx C 13 130.419 0.129 A 39 TYR CEx C 13 115.470 0.129 A 39 TYR CEy C 13 115.471 0.129 A 39 TYR N N 15 124.391 0.160 A 40 LYS H H 1 9.202 0.006 A 40 LYS HA H 1 5.357 0.006 A 40 LYS HBy H 1 1.640 0.006 A 40 LYS HBx H 1 1.290 0.006 A 40 LYS HDx H 1 1.402 0.006 A 40 LYS HDy H 1 1.592 0.006 A 40 LYS HE2 H 1 2.716 0.006 A 40 LYS HE3 H 1 2.716 0.006 A 40 LYS HGx H 1 1.109 0.006 A 40 LYS HGy H 1 1.239 0.006 A 40 LYS CA C 13 50.538 0.129 A 40 LYS CB C 13 34.044 0.129 A 40 LYS CD C 13 28.202 0.129 A 40 LYS CE C 13 39.881 0.129 A 40 LYS CG C 13 21.357 0.129 A 40 LYS N N 15 116.255 0.160 A 41 LYS H H 1 9.157 0.006 A 41 LYS HA H 1 5.157 0.006 A 41 LYS HBx H 1 1.536 0.006 A 41 LYS HBy H 1 1.986 0.006 A 41 LYS HD2 H 1 1.635 0.006 A 41 LYS HD3 H 1 1.635 0.006 A 41 LYS HE2 H 1 2.843 0.006 A 41 LYS HE3 H 1 2.843 0.006 A 41 LYS HGx H 1 1.256 0.006 A 41 LYS HGy H 1 1.367 0.006 A 41 LYS CA C 13 52.445 0.129 A 41 LYS CB C 13 34.109 0.129 A 41 LYS CD C 13 27.483 0.129 A 41 LYS CE C 13 39.720 0.129 A 41 LYS CG C 13 22.609 0.129 A 41 LYS N N 15 125.154 0.160 A 42 THR H H 1 8.491 0.006 A 42 THR HA H 1 4.565 0.006 A 42 THR HB H 1 4.020 0.006 A 42 THR HG2% H 1 1.039 0.006 A 42 THR CA C 13 57.400 0.129 A 42 THR CB C 13 66.831 0.129 A 42 THR CG2 C 13 18.142 0.129 A 42 THR N N 15 121.608 0.160 A 43 GLY H H 1 9.061 0.006 A 43 GLY HAy H 1 3.919 0.006 A 43 GLY HAx H 1 3.600 0.006 A 43 GLY CA C 13 44.829 0.129 A 43 GLY N N 15 117.318 0.160 A 44 ASN H H 1 8.739 0.006 A 44 ASN HA H 1 4.777 0.006 A 44 ASN HBy H 1 2.854 0.006 A 44 ASN HBx H 1 2.675 0.006 A 44 ASN HD2x H 1 6.868 0.006 A 44 ASN HD2y H 1 7.536 0.006 A 44 ASN CA C 13 50.316 0.129 A 44 ASN CB C 13 36.618 0.129 A 44 ASN N N 15 123.900 0.160 A 44 ASN ND2 N 15 112.884 0.160 A 45 SER H H 1 8.040 0.006 A 45 SER HA H 1 4.732 0.006 A 45 SER HBx H 1 3.817 0.006 A 45 SER HBy H 1 3.845 0.006 A 45 SER CA C 13 55.148 0.129 A 45 SER CB C 13 62.163 0.129 A 45 SER N N 15 115.964 0.160 A 46 THR H H 1 8.458 0.006 A 46 THR HA H 1 5.338 0.006 A 46 THR HB H 1 3.851 0.006 A 46 THR HG2% H 1 0.830 0.006 A 46 THR CA C 13 57.753 0.129 A 46 THR CB C 13 68.840 0.129 A 46 THR CG2 C 13 19.319 0.129 A 46 THR N N 15 116.914 0.160 A 47 LYS H H 1 8.771 0.006 A 47 LYS HA H 1 4.591 0.006 A 47 LYS HBy H 1 1.670 0.006 A 47 LYS HBx H 1 1.643 0.006 A 47 LYS HE2 H 1 2.955 0.006 A 47 LYS HE3 H 1 2.955 0.006 A 47 LYS HGy H 1 1.454 0.006 A 47 LYS HGx H 1 1.429 0.006 A 47 LYS CA C 13 52.465 0.129 A 47 LYS CB C 13 33.930 0.129 A 47 LYS CE C 13 39.866 0.129 A 47 LYS CG C 13 22.150 0.129 A 47 LYS N N 15 123.525 0.160 A 48 ALA H H 1 8.700 0.006 A 48 ALA HA H 1 4.656 0.006 A 48 ALA HB% H 1 1.509 0.006 A 48 ALA CA C 13 50.412 0.129 A 48 ALA CB C 13 16.929 0.129 A 48 ALA N N 15 128.893 0.160 A 49 LEU H H 1 7.609 0.006 A 49 LEU HA H 1 4.921 0.006 A 49 LEU HBx H 1 1.464 0.006 A 49 LEU HBy H 1 1.544 0.006 A 49 LEU HDx% H 1 0.888 0.006 A 49 LEU HDy% H 1 0.994 0.006 A 49 LEU HG H 1 1.677 0.006 A 49 LEU CA C 13 50.311 0.129 A 49 LEU CB C 13 44.172 0.129 A 49 LEU CDx C 13 21.275 0.129 A 49 LEU CDy C 13 24.403 0.129 A 49 LEU CG C 13 24.483 0.129 A 49 LEU N N 15 119.668 0.160 A 50 SER H H 1 8.884 0.006 A 50 SER HA H 1 4.221 0.006 A 50 SER HBx H 1 3.643 0.006 A 50 SER HBy H 1 3.708 0.006 A 50 SER CA C 13 54.212 0.129 A 50 SER CB C 13 60.876 0.129 A 50 SER N N 15 121.328 0.160 A 51 TRP H H 1 7.401 0.006 A 51 TRP HA H 1 5.154 0.006 A 51 TRP HBx H 1 2.765 0.006 A 51 TRP HBy H 1 3.151 0.006 A 51 TRP HD1 H 1 6.537 0.006 A 51 TRP HE1 H 1 9.179 0.006 A 51 TRP HE3 H 1 7.518 0.006 A 51 TRP HH2 H 1 7.174 0.006 A 51 TRP HZ2 H 1 6.940 0.006 A 51 TRP HZ3 H 1 7.298 0.006 A 51 TRP CA C 13 53.522 0.129 A 51 TRP CB C 13 29.557 0.129 A 51 TRP CD1 C 13 122.328 0.129 A 51 TRP CE3 C 13 117.972 0.129 A 51 TRP CH2 C 13 122.074 0.129 A 51 TRP CZ2 C 13 111.628 0.129 A 51 TRP CZ3 C 13 120.272 0.129 A 51 TRP N N 15 113.514 0.160 A 51 TRP NE1 N 15 126.981 0.160 A 52 ASN H H 1 8.446 0.006 A 52 ASN HA H 1 4.991 0.006 A 52 ASN HB2 H 1 2.751 0.006 A 52 ASN HB3 H 1 2.751 0.006 A 52 ASN HD2x H 1 6.794 0.006 A 52 ASN HD2y H 1 7.510 0.006 A 52 ASN CA C 13 49.062 0.129 A 52 ASN CB C 13 39.645 0.129 A 52 ASN N N 15 117.619 0.160 A 52 ASN ND2 N 15 113.657 0.160 A 53 ALA H H 1 8.694 0.006 A 53 ALA HA H 1 5.521 0.006 A 53 ALA HB% H 1 1.237 0.006 A 53 ALA CA C 13 48.441 0.129 A 53 ALA CB C 13 20.885 0.129 A 53 ALA N N 15 122.705 0.160 A 54 SER H H 1 8.223 0.006 A 54 SER HA H 1 4.721 0.006 A 54 SER HBx H 1 3.744 0.006 A 54 SER HBy H 1 3.786 0.006 A 54 SER CA C 13 54.535 0.129 A 54 SER CB C 13 63.108 0.129 A 54 SER N N 15 114.209 0.160 A 55 GLY H H 1 8.439 0.006 A 55 GLY HAx H 1 3.864 0.006 A 55 GLY HAy H 1 4.729 0.006 A 55 GLY CA C 13 43.354 0.129 A 55 GLY N N 15 111.123 0.160 A 56 ASP H H 1 7.754 0.006 A 56 ASP HA H 1 4.475 0.006 A 56 ASP HBx H 1 1.610 0.006 A 56 ASP HBy H 1 2.162 0.006 A 56 ASP CA C 13 54.036 0.129 A 56 ASP CB C 13 39.603 0.129 A 56 ASP N N 15 122.033 0.160 A 57 SER H H 1 8.653 0.006 A 57 SER HA H 1 4.124 0.006 A 57 SER HBx H 1 4.045 0.006 A 57 SER HBy H 1 4.131 0.006 A 57 SER CA C 13 58.534 0.129 A 57 SER CB C 13 61.096 0.129 A 57 SER N N 15 113.994 0.160 A 58 TRP H H 1 6.789 0.006 A 58 TRP HA H 1 4.835 0.006 A 58 TRP HBy H 1 3.760 0.006 A 58 TRP HBx H 1 3.060 0.006 A 58 TRP HD1 H 1 7.337 0.006 A 58 TRP HE1 H 1 10.486 0.006 A 58 TRP HE3 H 1 7.552 0.006 A 58 TRP HH2 H 1 6.719 0.006 A 58 TRP HZ2 H 1 6.806 0.006 A 58 TRP HZ3 H 1 6.480 0.006 A 58 TRP CA C 13 50.990 0.129 A 58 TRP CB C 13 25.948 0.129 A 58 TRP CD1 C 13 124.599 0.129 A 58 TRP CE3 C 13 121.039 0.129 A 58 TRP CH2 C 13 120.720 0.129 A 58 TRP CZ2 C 13 110.112 0.129 A 58 TRP CZ3 C 13 118.760 0.129 A 58 TRP N N 15 115.435 0.160 A 58 TRP NE1 N 15 130.058 0.160 A 59 ILE H H 1 6.690 0.006 A 59 ILE HA H 1 3.857 0.006 A 59 ILE HB H 1 0.964 0.006 A 59 ILE HD1% H 1 -0.320 0.006 A 59 ILE HG1y H 1 -0.064 0.006 A 59 ILE HG1x H 1 -0.174 0.006 A 59 ILE HG2% H 1 0.309 0.006 A 59 ILE CA C 13 58.482 0.129 A 59 ILE CB C 13 35.856 0.129 A 59 ILE CD1 C 13 11.045 0.129 A 59 ILE CG1 C 13 24.598 0.129 A 59 ILE CG2 C 13 15.889 0.129 A 59 ILE N N 15 119.905 0.160 A 60 HIS H H 1 9.082 0.006 A 60 HIS HA H 1 4.861 0.006 A 60 HIS HBy H 1 3.294 0.006 A 60 HIS HBx H 1 2.939 0.006 A 60 HIS HD1 H 1 8.904 0.006 A 60 HIS HD2 H 1 6.791 0.006 A 60 HIS CA C 13 50.260 0.129 A 60 HIS CB C 13 26.025 0.129 A 60 HIS CD2 C 13 118.462 0.129 A 60 HIS N N 15 125.127 0.160 A 60 HIS ND1 N 15 218.986 0.160 A 61 VAL H H 1 9.112 0.006 A 61 VAL HA H 1 4.369 0.006 A 61 VAL HB H 1 1.832 0.006 A 61 VAL HGx% H 1 0.911 0.006 A 61 VAL HGy% H 1 0.650 0.006 A 61 VAL CA C 13 59.400 0.129 A 61 VAL CB C 13 30.368 0.129 A 61 VAL CGx C 13 18.646 0.129 A 61 VAL CGy C 13 19.541 0.129 A 61 VAL N N 15 126.727 0.160 A 62 ASN H H 1 8.868 0.006 A 62 ASN HA H 1 4.837 0.006 A 62 ASN HBx H 1 2.527 0.006 A 62 ASN HBy H 1 2.706 0.006 A 62 ASN HD2x H 1 6.774 0.006 A 62 ASN HD2y H 1 7.574 0.006 A 62 ASN CA C 13 49.223 0.129 A 62 ASN CB C 13 36.936 0.129 A 62 ASN N N 15 127.701 0.160 A 62 ASN ND2 N 15 112.479 0.160 A 63 GLY H H 1 8.957 0.006 A 63 GLY HAx H 1 2.944 0.006 A 63 GLY HAy H 1 3.816 0.006 A 63 GLY CA C 13 44.573 0.129 A 63 GLY N N 15 116.501 0.160 A 64 SER H H 1 9.195 0.006 A 64 SER HA H 1 4.625 0.006 A 64 SER HBy H 1 4.368 0.006 A 64 SER HBx H 1 4.291 0.006 A 64 SER CA C 13 56.495 0.129 A 64 SER CB C 13 61.061 0.129 A 64 SER N N 15 127.241 0.160 A 65 SER H H 1 7.910 0.006 A 65 SER HA H 1 4.582 0.006 A 65 SER HBx H 1 3.854 0.006 A 65 SER HBy H 1 3.913 0.006 A 65 SER CA C 13 55.669 0.129 A 65 SER CB C 13 61.056 0.129 A 65 SER N N 15 116.272 0.160 A 66 VAL H H 1 8.591 0.006 A 66 VAL HA H 1 4.556 0.006 A 66 VAL HB H 1 0.554 0.006 A 66 VAL HGx% H 1 0.519 0.006 A 66 VAL HGy% H 1 0.359 0.006 A 66 VAL CA C 13 58.005 0.129 A 66 VAL CB C 13 30.268 0.129 A 66 VAL CGx C 13 19.325 0.129 A 66 VAL CGy C 13 20.124 0.129 A 66 VAL N N 15 127.651 0.160 A 67 SER H H 1 8.906 0.006 A 67 SER HA H 1 5.128 0.006 A 67 SER HBx H 1 3.779 0.006 A 67 SER HBy H 1 3.803 0.006 A 67 SER CA C 13 53.758 0.129 A 67 SER CB C 13 63.387 0.129 A 67 SER N N 15 120.843 0.160 A 68 TYR H H 1 8.316 0.006 A 68 TYR HA H 1 5.777 0.006 A 68 TYR HBy H 1 3.374 0.006 A 68 TYR HBx H 1 2.628 0.006 A 68 TYR HD1 H 1 6.796 0.006 A 68 TYR HD2 H 1 6.796 0.006 A 68 TYR HE1 H 1 6.186 0.006 A 68 TYR HE2 H 1 6.186 0.006 A 68 TYR CA C 13 51.938 0.129 A 68 TYR CB C 13 38.566 0.129 A 68 TYR CDx C 13 125.116 0.129 A 68 TYR CDy C 13 125.122 0.129 A 68 TYR CEx C 13 115.130 0.129 A 68 TYR CEy C 13 115.135 0.129 A 68 TYR N N 15 118.584 0.160 A 69 ASP H H 1 8.527 0.006 A 69 ASP HA H 1 4.708 0.006 A 69 ASP HBy H 1 3.135 0.006 A 69 ASP HBx H 1 2.793 0.006 A 69 ASP CA C 13 51.419 0.129 A 69 ASP CB C 13 40.332 0.129 A 69 ASP N N 15 120.917 0.160 A 70 GLU H H 1 8.560 0.006 A 70 GLU HA H 1 4.172 0.006 A 70 GLU HBx H 1 1.822 0.006 A 70 GLU HBy H 1 2.098 0.006 A 70 GLU HGx H 1 1.840 0.006 A 70 GLU HGy H 1 2.228 0.006 A 70 GLU CA C 13 53.160 0.129 A 70 GLU CB C 13 28.082 0.129 A 70 GLU CG C 13 33.221 0.129 A 70 GLU N N 15 118.925 0.160 A 71 ASN H H 1 8.890 0.006 A 71 ASN HA H 1 4.520 0.006 A 71 ASN HBx H 1 2.242 0.006 A 71 ASN HBy H 1 2.869 0.006 A 71 ASN HD2x H 1 6.416 0.006 A 71 ASN HD2y H 1 6.756 0.006 A 71 ASN CA C 13 46.646 0.129 A 71 ASN CB C 13 36.033 0.129 A 71 ASN N N 15 125.422 0.160 A 71 ASN ND2 N 15 109.395 0.160 A 72 PRO HA H 1 4.367 0.006 A 72 PRO HBx H 1 1.934 0.006 A 72 PRO HBy H 1 2.057 0.006 A 72 PRO HDy H 1 3.980 0.006 A 72 PRO HDx H 1 3.786 0.006 A 72 PRO HGx H 1 1.803 0.006 A 72 PRO HGy H 1 1.926 0.006 A 72 PRO CA C 13 60.137 0.129 A 72 PRO CB C 13 30.034 0.129 A 72 PRO CD C 13 47.596 0.129 A 72 PRO CG C 13 23.431 0.129 A 73 ALA H H 1 7.226 0.006 A 73 ALA HA H 1 4.453 0.006 A 73 ALA HB% H 1 1.508 0.006 A 73 ALA CA C 13 48.065 0.129 A 73 ALA CB C 13 19.244 0.129 A 73 ALA N N 15 123.026 0.160 A 74 LYS H H 1 8.322 0.006 A 74 LYS HA H 1 4.181 0.006 A 74 LYS HBy H 1 1.747 0.006 A 74 LYS HBx H 1 1.652 0.006 A 74 LYS HD2 H 1 1.586 0.006 A 74 LYS HD3 H 1 1.586 0.006 A 74 LYS HE2 H 1 2.894 0.006 A 74 LYS HE3 H 1 2.894 0.006 A 74 LYS HGx H 1 1.310 0.006 A 74 LYS HGy H 1 1.373 0.006 A 74 LYS CA C 13 54.752 0.129 A 74 LYS CB C 13 30.132 0.129 A 74 LYS CD C 13 26.847 0.129 A 74 LYS CE C 13 39.554 0.129 A 74 LYS CG C 13 22.531 0.129 A 74 LYS N N 15 116.805 0.160 A 75 GLU H H 1 7.136 0.006 A 75 GLU HA H 1 4.294 0.006 A 75 GLU HBy H 1 1.913 0.006 A 75 GLU HBx H 1 1.817 0.006 A 75 GLU HGx H 1 2.119 0.006 A 75 GLU HGy H 1 2.291 0.006 A 75 GLU CA C 13 53.160 0.129 A 75 GLU CB C 13 28.359 0.129 A 75 GLU CG C 13 34.021 0.129 A 75 GLU N N 15 117.013 0.160 A 76 ARG H H 1 8.147 0.006 A 76 ARG HA H 1 4.230 0.006 A 76 ARG HBy H 1 1.689 0.006 A 76 ARG HBx H 1 1.569 0.006 A 76 ARG HD2 H 1 2.934 0.006 A 76 ARG HD3 H 1 2.934 0.006 A 76 ARG HGx H 1 1.321 0.006 A 76 ARG HGy H 1 1.370 0.006 A 76 ARG CA C 13 53.279 0.129 A 76 ARG CB C 13 28.935 0.129 A 76 ARG CD C 13 41.493 0.129 A 76 ARG CG C 13 23.841 0.129 A 76 ARG N N 15 122.836 0.160 A 77 ARG H H 1 8.761 0.006 A 77 ARG HA H 1 4.905 0.006 A 77 ARG HB2 H 1 1.630 0.006 A 77 ARG HB3 H 1 1.630 0.006 A 77 ARG HD2 H 1 2.843 0.006 A 77 ARG HD3 H 1 2.843 0.006 A 77 ARG HGx H 1 1.172 0.006 A 77 ARG HGy H 1 1.264 0.006 A 77 ARG CA C 13 54.000 0.129 A 77 ARG CB C 13 27.055 0.129 A 77 ARG CD C 13 39.831 0.129 A 77 ARG CG C 13 22.243 0.129 A 77 ARG N N 15 120.812 0.160 A 78 THR H H 1 8.659 0.006 A 78 THR HA H 1 5.376 0.006 A 78 THR HB H 1 3.906 0.006 A 78 THR HG2% H 1 1.026 0.006 A 78 THR CA C 13 58.907 0.129 A 78 THR CB C 13 67.547 0.129 A 78 THR CG2 C 13 19.099 0.129 A 78 THR N N 15 118.073 0.160 A 79 GLY H H 1 9.591 0.006 A 79 GLY HAx H 1 3.084 0.006 A 79 GLY HAy H 1 4.745 0.006 A 79 GLY CA C 13 41.696 0.129 A 79 GLY N N 15 117.842 0.160 A 80 LEU H H 1 9.256 0.006 A 80 LEU HA H 1 5.210 0.006 A 80 LEU HBx H 1 1.376 0.006 A 80 LEU HBy H 1 1.498 0.006 A 80 LEU HDx% H 1 0.778 0.006 A 80 LEU HDy% H 1 0.746 0.006 A 80 LEU HG H 1 1.377 0.006 A 80 LEU CA C 13 51.261 0.129 A 80 LEU CB C 13 43.626 0.129 A 80 LEU CDx C 13 22.151 0.129 A 80 LEU CDy C 13 22.592 0.129 A 80 LEU CG C 13 25.333 0.129 A 80 LEU N N 15 123.877 0.160 A 81 VAL H H 1 9.158 0.006 A 81 VAL HA H 1 4.724 0.006 A 81 VAL HB H 1 1.675 0.006 A 81 VAL HGx% H 1 0.608 0.006 A 81 VAL HGy% H 1 0.658 0.006 A 81 VAL CB C 13 33.850 0.129 A 81 VAL CGx C 13 19.700 0.129 A 81 VAL CGy C 13 20.389 0.129 A 81 VAL N N 15 121.607 0.160 A 82 THR H H 1 8.887 0.006 A 82 THR HA H 1 4.896 0.006 A 82 THR HB H 1 3.835 0.006 A 82 THR HG2% H 1 1.116 0.006 A 82 THR CA C 13 59.024 0.129 A 82 THR CB C 13 67.613 0.129 A 82 THR CG2 C 13 19.106 0.129 A 82 THR N N 15 120.959 0.160 A 83 LEU H H 1 9.230 0.006 A 83 LEU HA H 1 5.124 0.006 A 83 LEU HBx H 1 1.142 0.006 A 83 LEU HBy H 1 1.438 0.006 A 83 LEU HDx% H 1 0.401 0.006 A 83 LEU HDy% H 1 0.482 0.006 A 83 LEU HG H 1 1.376 0.006 A 83 LEU CA C 13 51.273 0.129 A 83 LEU CB C 13 39.988 0.129 A 83 LEU CDx C 13 22.760 0.129 A 83 LEU CDy C 13 22.928 0.129 A 83 LEU CG C 13 26.125 0.129 A 83 LEU N N 15 129.860 0.160 A 84 LYS H H 1 8.953 0.006 A 84 LYS HA H 1 5.138 0.006 A 84 LYS HBy H 1 1.716 0.006 A 84 LYS HBx H 1 1.336 0.006 A 84 LYS HD2 H 1 1.506 0.006 A 84 LYS HD3 H 1 1.506 0.006 A 84 LYS HE2 H 1 2.816 0.006 A 84 LYS HE3 H 1 2.816 0.006 A 84 LYS HG2 H 1 1.012 0.006 A 84 LYS HG3 H 1 1.012 0.006 A 84 LYS CA C 13 51.691 0.129 A 84 LYS CB C 13 33.241 0.129 A 84 LYS CD C 13 27.014 0.129 A 84 LYS CE C 13 39.175 0.129 A 84 LYS CG C 13 22.085 0.129 A 84 LYS N N 15 123.371 0.160 A 85 GLN H H 1 8.867 0.006 A 85 GLN HA H 1 3.551 0.006 A 85 GLN HBy H 1 1.219 0.006 A 85 GLN HBx H 1 -0.824 0.006 A 85 GLN HE2x H 1 6.499 0.006 A 85 GLN HE2y H 1 8.243 0.006 A 85 GLN HGx H 1 1.427 0.006 A 85 GLN HGy H 1 2.916 0.006 A 85 GLN CA C 13 54.367 0.129 A 85 GLN CB C 13 26.020 0.129 A 85 GLN CG C 13 31.897 0.129 A 85 GLN N N 15 132.111 0.160 A 85 GLN NE2 N 15 116.850 0.160 A 86 ASP H H 1 8.536 0.006 A 86 ASP HA H 1 4.113 0.006 A 86 ASP HB2 H 1 2.448 0.006 A 86 ASP HB3 H 1 2.448 0.006 A 86 ASP CA C 13 53.326 0.129 A 86 ASP CB C 13 38.494 0.129 A 86 ASP N N 15 130.148 0.160 A 87 GLU H H 1 8.221 0.006 A 87 GLU HA H 1 3.457 0.006 A 87 GLU HBy H 1 2.398 0.006 A 87 GLU HBx H 1 2.094 0.006 A 87 GLU HG2 H 1 2.088 0.006 A 87 GLU HG3 H 1 2.088 0.006 A 87 GLU CA C 13 59.076 0.129 A 87 GLU CB C 13 26.500 0.129 A 87 GLU CG C 13 34.081 0.129 A 87 GLU N N 15 114.329 0.160 A 88 SER H H 1 8.728 0.006 A 88 SER HA H 1 3.328 0.006 A 88 SER HBy H 1 2.947 0.006 A 88 SER HBx H 1 2.169 0.006 A 88 SER CA C 13 56.474 0.129 A 88 SER CB C 13 59.961 0.129 A 88 SER N N 15 117.944 0.160 A 89 GLY H H 1 7.342 0.006 A 89 GLY HAx H 1 3.382 0.006 A 89 GLY HAy H 1 3.925 0.006 A 89 GLY CA C 13 43.721 0.129 A 89 GLY N N 15 110.220 0.160 A 90 LYS H H 1 8.104 0.006 A 90 LYS HA H 1 4.086 0.006 A 90 LYS HBx H 1 1.182 0.006 A 90 LYS HBy H 1 2.219 0.006 A 90 LYS HGy H 1 1.406 0.006 A 90 LYS HGx H 1 1.233 0.006 A 90 LYS CA C 13 55.463 0.129 A 90 LYS CB C 13 30.755 0.129 A 90 LYS CG C 13 23.631 0.129 A 90 LYS N N 15 120.658 0.160 A 91 THR H H 1 8.167 0.006 A 91 THR HA H 1 6.090 0.006 A 91 THR HB H 1 4.103 0.006 A 91 THR HG2% H 1 1.034 0.006 A 91 THR CA C 13 56.823 0.129 A 91 THR CB C 13 70.552 0.129 A 91 THR CG2 C 13 18.935 0.129 A 91 THR N N 15 107.270 0.160 A 92 LEU H H 1 8.651 0.006 A 92 LEU HA H 1 4.733 0.006 A 92 LEU HBx H 1 0.833 0.006 A 92 LEU HBy H 1 0.910 0.006 A 92 LEU HDx% H 1 -1.322 0.006 A 92 LEU HDy% H 1 0.245 0.006 A 92 LEU CA C 13 50.788 0.129 A 92 LEU CB C 13 42.886 0.129 A 92 LEU CDx C 13 20.710 0.129 A 92 LEU CDy C 13 20.870 0.129 A 92 LEU N N 15 119.616 0.160 A 93 SER H H 1 8.405 0.006 A 93 SER HA H 1 5.170 0.006 A 93 SER HBx H 1 3.748 0.006 A 93 SER HBy H 1 3.794 0.006 A 93 SER CA C 13 54.719 0.129 A 93 SER CB C 13 62.872 0.129 A 93 SER N N 15 113.411 0.160 A 94 LEU H H 1 9.074 0.006 A 94 LEU HA H 1 5.177 0.006 A 94 LEU HBx H 1 1.309 0.006 A 94 LEU HBy H 1 1.681 0.006 A 94 LEU HDx% H 1 0.791 0.006 A 94 LEU HDy% H 1 0.994 0.006 A 94 LEU HG H 1 1.283 0.006 A 94 LEU CA C 13 51.452 0.129 A 94 LEU CB C 13 41.474 0.129 A 94 LEU CDy C 13 23.981 0.129 A 94 LEU CDx C 13 21.026 0.129 A 94 LEU CG C 13 25.724 0.129 A 94 LEU N N 15 132.093 0.160 A 95 LYS H H 1 8.756 0.006 A 95 LYS HA H 1 5.479 0.006 A 95 LYS HB2 H 1 1.580 0.006 A 95 LYS HB3 H 1 1.580 0.006 A 95 LYS HEy H 1 2.670 0.006 A 95 LYS HEx H 1 2.629 0.006 A 95 LYS HGx H 1 1.066 0.006 A 95 LYS HGy H 1 1.273 0.006 A 95 LYS CA C 13 50.991 0.129 A 95 LYS CB C 13 33.313 0.129 A 95 LYS CE C 13 39.416 0.129 A 95 LYS CG C 13 22.888 0.129 A 95 LYS N N 15 127.543 0.160 A 96 ILE H H 1 8.543 0.006 A 96 ILE HA H 1 4.505 0.006 A 96 ILE HB H 1 1.346 0.006 A 96 ILE HD1% H 1 0.541 0.006 A 96 ILE HG1x H 1 0.691 0.006 A 96 ILE HG1y H 1 1.263 0.006 A 96 ILE HG2% H 1 0.290 0.006 A 96 ILE CA C 13 57.426 0.129 A 96 ILE CB C 13 38.542 0.129 A 96 ILE CD1 C 13 12.338 0.129 A 96 ILE CG1 C 13 24.945 0.129 A 96 ILE CG2 C 13 14.471 0.129 A 96 ILE N N 15 122.404 0.160 A 97 VAL H H 1 7.928 0.006 A 97 VAL HA H 1 4.607 0.006 A 97 VAL HB H 1 1.868 0.006 A 97 VAL HGx% H 1 0.605 0.006 A 97 VAL HGy% H 1 0.720 0.006 A 97 VAL CA C 13 58.642 0.129 A 97 VAL CB C 13 28.956 0.129 A 97 VAL CGx C 13 17.487 0.129 A 97 VAL CGy C 13 17.925 0.129 A 97 VAL N N 15 128.424 0.160 A 98 GLN H H 1 9.426 0.006 A 98 GLN HA H 1 4.806 0.006 A 98 GLN HBx H 1 1.330 0.006 A 98 GLN HBy H 1 2.057 0.006 A 98 GLN HE2x H 1 6.734 0.006 A 98 GLN HE2y H 1 7.500 0.006 A 98 GLN HGy H 1 2.559 0.006 A 98 GLN HGx H 1 2.217 0.006 A 98 GLN CA C 13 49.593 0.129 A 98 GLN CB C 13 30.618 0.129 A 98 GLN CG C 13 30.854 0.129 A 98 GLN N N 15 130.005 0.160 A 98 GLN NE2 N 15 111.943 0.160 A 99 PRO HA H 1 4.088 0.006 A 99 PRO HBy H 1 2.359 0.006 A 99 PRO HBx H 1 1.498 0.006 A 99 PRO HDx H 1 3.271 0.006 A 99 PRO HDy H 1 4.072 0.006 A 99 PRO HGy H 1 1.792 0.006 A 99 PRO HGx H 1 1.608 0.006 A 99 PRO CA C 13 60.710 0.129 A 99 PRO CB C 13 31.337 0.129 A 99 PRO CD C 13 49.841 0.129 A 99 PRO CG C 13 25.295 0.129 A 100 GLY H H 1 8.059 0.006 A 100 GLY HAx H 1 3.135 0.006 A 100 GLY HAy H 1 3.793 0.006 A 100 GLY CA C 13 41.368 0.129 A 100 GLY N N 15 105.438 0.160 A 101 LYS H H 1 8.588 0.006 A 101 LYS HA H 1 4.185 0.006 A 101 LYS HBx H 1 1.383 0.006 A 101 LYS HBy H 1 1.570 0.006 A 101 LYS HD2 H 1 1.449 0.006 A 101 LYS HD3 H 1 1.449 0.006 A 101 LYS HE2 H 1 2.843 0.006 A 101 LYS HE3 H 1 2.843 0.006 A 101 LYS HGx H 1 1.173 0.006 A 101 LYS HGy H 1 1.276 0.006 A 101 LYS CA C 13 53.936 0.129 A 101 LYS CB C 13 30.822 0.129 A 101 LYS CD C 13 27.154 0.129 A 101 LYS CE C 13 39.696 0.129 A 101 LYS CG C 13 22.108 0.129 A 101 LYS N N 15 123.066 0.160 A 102 THR H H 1 8.313 0.006 A 102 THR HA H 1 4.264 0.006 A 102 THR HB H 1 4.170 0.006 A 102 THR HG2% H 1 1.146 0.006 A 102 THR CA C 13 59.267 0.129 A 102 THR CB C 13 67.154 0.129 A 102 THR CG2 C 13 19.295 0.129 A 102 THR N N 15 116.852 0.160 A 103 SER H H 1 8.046 0.006 A 103 SER HA H 1 4.427 0.006 A 103 SER HBx H 1 3.769 0.006 A 103 SER HBy H 1 3.817 0.006 A 103 SER CA C 13 55.207 0.129 A 103 SER CB C 13 61.556 0.129 A 103 SER N N 15 117.660 0.160 A 104 ILE H H 1 8.168 0.006 A 104 ILE HA H 1 4.163 0.006 A 104 ILE HB H 1 1.830 0.006 A 104 ILE HD1% H 1 0.766 0.006 A 104 ILE HG1y H 1 1.325 0.006 A 104 ILE HG1x H 1 1.053 0.006 A 104 ILE HG2% H 1 0.827 0.006 A 104 ILE CA C 13 58.502 0.129 A 104 ILE CB C 13 36.488 0.129 A 104 ILE CD1 C 13 10.723 0.129 A 104 ILE CG1 C 13 24.480 0.129 A 104 ILE CG2 C 13 15.256 0.129 A 104 ILE N N 15 121.534 0.160 A 105 ASP H H 1 7.853 0.006 A 105 ASP HA H 1 4.164 0.006 A 105 ASP HBy H 1 2.581 0.006 A 105 ASP HBx H 1 2.470 0.006 A 105 ASP CA C 13 56.809 0.129 A 105 ASP CB C 13 40.015 0.129 A 105 ASP N N 15 128.701 0.160 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 94 LEU H A 94 LEU HBy 1.0 . 3.61 2 2 A 94 LEU H A 94 LEU HDx% 1.0 . 4.74 3 3 A 94 LEU H A 94 LEU HBx 1.0 . 3.80 4 4 A 51 TRP HBx A 86 ASP H 1.0 . 4.91 5 5 A 86 ASP H A 51 TRP HA 1.0 . 3.56 6 6 A 86 ASP H A 51 TRP HBy 1.0 . 4.39 7 7 A 86 ASP H A 85 GLN HGy 1.0 . 4.21 8 8 A 86 ASP H A 85 GLN HGx 1.0 . 4.13 9 9 A 86 ASP H A 85 GLN HBx 1.0 . 5.50 10 10 A 58 TRP HE1 A 79 GLY HAy 1.0 . 5.08 11 11 A 58 TRP HE1 A 58 TRP HBx 1.0 . 4.83 12 12 A 58 TRP HE1 A 56 ASP HBy 1.0 . 4.10 13 13 A 58 TRP HE1 A 56 ASP HBx 1.0 . 4.26 14 14 A 58 TRP HE1 A 59 ILE HD1% 1.0 . 5.50 15 15 A 58 TRP HE1 A 57 SER H 1.0 . 5.50 16 16 A 77 ARG H A 98 GLN H 1.0 . 4.02 17 17 A 98 GLN H A 98 GLN HE2x 1.0 . 5.01 18 18 A 98 GLN H A 78 THR HA 1.0 . 4.17 19 19 A 98 GLN H A 99 PRO HA 1.0 . 5.50 20 20 A 98 GLN H A 98 GLN HBy 1.0 . 3.96 21 21 A 98 GLN H A 98 GLN HBx 1.0 . 3.91 22 22 A 58 TRP HE1 A 56 ASP HA 1.0 . 5.50 23 23 A 83 LEU H A 91 THR HB 1.0 . 5.50 24 24 A 83 LEU H A 82 THR HB 1.0 . 5.04 25 25 A 83 LEU H A 81 VAL HGy% 1.0 . 5.50 26 26 A 83 LEU H A 82 THR H 1.0 . 4.92 27 27 A 83 LEU H A 83 LEU HDx% 1.0 . 4.79 28 28 A 48 ALA H A 49 LEU H 1.0 . 5.24 29 29 A 104 ILE HB A 105 ASP H 1.0 . 4.72 30 30 A 98 GLN H A 97 VAL H 1.0 . 5.50 31 31 A 97 VAL H A 78 THR HG2% 1.0 . 5.50 32 32 A 97 VAL H A 96 ILE H 1.0 . 5.23 33 33 A 62 ASN H A 66 VAL HA 1.0 . 4.38 34 34 A 62 ASN H A 65 SER HBx 1.0 . 4.86 35 35 A 62 ASN H A 65 SER H 1.0 . 5.10 36 36 A 33 ILE HA A 66 VAL H 1.0 . 4.72 37 37 A 65 SER HBx A 66 VAL H 1.0 . 4.50 38 38 A 94 LEU H A 95 LYS H 1.0 . 5.39 39 39 A 96 ILE H A 95 LYS H 1.0 . 4.36 40 40 A 95 LYS H A 22 GLU H 1.0 . 4.79 41 41 A 94 LEU HDx% A 95 LYS H 1.0 . 5.50 42 42 A 65 SER H A 66 VAL H 1.0 . 5.50 43 43 A 34 LEU H A 66 VAL HGx% 1.0 . 5.50 44 44 A 64 SER H A 64 SER HBy 1.0 . 4.09 45 45 A 11 PHE H A 10 TYR HE% 1.0 . 5.27 46 45 A 11 PHE H A 10 TYR HD% 1.0 . 5.27 47 46 A 11 PHE H A 10 TYR HBy 1.0 . 4.41 48 47 A 53 ALA HB% A 61 VAL H 1.0 . 4.94 49 48 A 61 VAL H A 60 HIS HBx 1.0 . 4.52 50 49 A 61 VAL H A 61 VAL HGx% 1.0 . 5.02 51 50 A 14 ALA H A 17 GLY H 1.0 . 5.32 52 51 A 14 ALA H A 13 TYR HD% 1.0 . 4.91 53 52 A 14 ALA H A 13 TYR HBx 1.0 . 4.37 54 53 A 61 VAL H A 60 HIS HD1 1.0 . 4.67 55 54 A 61 VAL H A 60 HIS HBy 1.0 . 5.15 56 55 A 13 TYR HBy A 37 THR H 1.0 . 5.50 57 56 A 14 ALA H A 35 ASP HBx 1.0 . 5.50 58 57 A 37 THR H A 13 TYR HA 1.0 . 4.50 59 58 A 37 THR H A 37 THR HG2% 1.0 . 4.60 60 59 A 37 THR H A 36 ILE HG1x 1.0 . 5.26 61 60 A 37 THR H A 36 ILE HA 1.0 . 2.76 62 61 A 35 ASP HBx A 36 ILE H 1.0 . 5.50 63 62 A 37 THR H A 36 ILE H 1.0 . 4.71 64 63 A 36 ILE H A 35 ASP HBy 1.0 . 5.50 65 64 A 36 ILE H A 36 ILE HB 1.0 . 3.53 66 65 A 36 ILE H A 36 ILE HG1y 1.0 . 4.37 67 66 A 97 VAL H A 22 GLU H 1.0 . 4.32 68 67 A 22 GLU H A 96 ILE HA 1.0 . 3.80 69 68 A 22 GLU H A 22 GLU HB2 1.0 . 4.15 70 68 A 22 GLU H A 22 GLU HB3 1.0 . 4.15 71 69 A 71 ASN H A 71 ASN HBx 1.0 . 3.47 72 70 A 71 ASN H A 98 GLN HE2y 1.0 . 4.26 73 71 A 71 ASN H A 71 ASN HD2y 1.0 . 5.40 74 72 A 71 ASN H A 71 ASN HBy 1.0 . 3.82 75 73 A 71 ASN H A 70 GLU HBx 1.0 . 3.88 76 74 A 41 LYS H A 10 TYR HE% 1.0 . 4.61 77 74 A 41 LYS H A 10 TYR HD% 1.0 . 4.61 78 75 A 41 LYS H A 9 TYR HA 1.0 . 4.21 79 76 A 41 LYS H A 40 LYS HDy 1.0 . 3.96 80 77 A 41 LYS H A 8 SER HBy 1.0 . 4.62 81 78 A 60 HIS H A 67 SER H 1.0 . 4.14 82 79 A 60 HIS H A 61 VAL HGy% 1.0 . 5.48 83 80 A 59 ILE HD1% A 60 HIS H 1.0 . 5.50 84 81 A 22 GLU H A 21 THR H 1.0 . 5.23 85 82 A 21 THR H A 21 THR HB 1.0 . 3.40 86 83 A 21 THR H A 20 HIS HBy 1.0 . 4.73 87 84 A 21 THR H A 20 HIS HBx 1.0 . 4.57 88 85 A 21 THR H A 21 THR HG2% 1.0 . 5.05 89 86 A 21 THR H A 20 HIS H 1.0 . 4.91 90 87 A 39 TYR H A 85 GLN HE2y 1.0 . 4.46 91 88 A 39 TYR H A 39 TYR HD% 1.0 . 4.74 92 89 A 39 TYR H A 85 GLN HE2x 1.0 . 3.83 93 90 A 39 TYR H A 37 THR HA 1.0 . 5.50 94 91 A 39 TYR H A 38 SER HBx 1.0 . 5.11 95 92 A 10 TYR HBy A 39 TYR H 1.0 . 4.51 96 93 A 39 TYR H A 10 TYR HBx 1.0 . 4.32 97 94 A 56 ASP H A 80 LEU H 1.0 . 5.20 98 95 A 79 GLY HAy A 80 LEU H 1.0 . 3.41 99 96 A 80 LEU H A 80 LEU HDy% 1.0 . 5.50 100 97 A 39 TYR HD% A 47 LYS H 1.0 . 4.85 101 98 A 47 LYS H A 47 LYS HBy 1.0 . 3.45 102 99 A 47 LYS H A 46 THR HG2% 1.0 . 4.38 103 100 A 53 ALA HA A 84 LYS H 1.0 . 4.51 104 101 A 84 LYS H A 83 LEU HDy% 1.0 . 5.50 105 102 A 47 LYS H A 40 LYS H 1.0 . 3.74 106 103 A 84 LYS H A 52 ASN H 1.0 . 4.37 107 104 A 84 LYS H A 83 LEU HA 1.0 . 3.28 108 105 A 28 SER H A 29 ALA H 1.0 . 4.70 109 106 A 75 GLU H A 101 LYS H 1.0 . 5.23 110 107 A 29 ALA H A 30 GLY H 1.0 . 5.11 111 108 A 71 ASN HD2y A 101 LYS H 1.0 . 4.95 112 109 A 101 LYS H A 71 ASN HD2x 1.0 . 4.72 113 110 A 101 LYS H A 73 ALA HA 1.0 . 5.01 114 111 A 101 LYS H A 100 GLY HAy 1.0 . 3.25 115 112 A 101 LYS H A 73 ALA H 1.0 . 5.18 116 113 A 73 ALA H A 74 LYS H 1.0 . 4.75 117 114 A 71 ASN HD2y A 73 ALA H 1.0 . 5.50 118 115 A 73 ALA H A 73 ALA HB% 1.0 . 3.41 119 116 A 71 ASN HD2x A 73 ALA H 1.0 . 5.50 120 117 A 76 ARG H A 76 ARG HD2 1.0 . 5.50 121 117 A 76 ARG H A 76 ARG HD3 1.0 . 5.50 122 118 A 76 ARG H A 75 GLU HGx 1.0 . 4.85 123 119 A 35 ASP HBx A 35 ASP H 1.0 . 3.73 124 120 A 77 ARG H A 76 ARG H 1.0 . 5.16 125 121 A 36 ILE H A 35 ASP H 1.0 . 4.71 126 122 A 35 ASP H A 34 LEU HBx 1.0 . 3.36 127 123 A 96 ILE H A 79 GLY H 1.0 . 3.88 128 124 A 78 THR HG2% A 96 ILE H 1.0 . 4.46 129 125 A 95 LYS H A 20 HIS H 1.0 . 4.63 130 126 A 20 HIS H A 93 SER H 1.0 . 5.50 131 127 A 20 HIS H A 13 TYR HE% 1.0 . 3.87 132 128 A 20 HIS HBx A 20 HIS H 1.0 . 4.16 133 129 A 20 HIS H A 19 SER H 1.0 . 4.96 134 130 A 20 HIS H A 94 LEU HA 1.0 . 4.02 135 131 A 20 HIS H A 19 SER HBy 1.0 . 3.82 136 132 A 20 HIS HBy A 20 HIS H 1.0 . 3.95 137 133 A 37 THR HG2% A 10 TYR H 1.0 . 5.50 138 134 A 10 TYR H A 38 SER HA 1.0 . 5.50 139 135 A 59 ILE HD1% A 56 ASP H 1.0 . 5.50 140 136 A 10 TYR H A 10 TYR HE% 1.0 . 3.61 141 136 A 10 TYR H A 10 TYR HD% 1.0 . 3.61 142 137 A 9 TYR HA A 10 TYR H 1.0 . 3.04 143 138 A 10 TYR H A 9 TYR HBy 1.0 . 4.09 144 139 A 10 TYR HBy A 10 TYR H 1.0 . 4.10 145 140 A 10 TYR HBx A 10 TYR H 1.0 . 3.67 146 141 A 10 TYR H A 49 LEU HDy% 1.0 . 5.50 147 142 A 57 SER H A 56 ASP H 1.0 . 5.32 148 143 A 56 ASP H A 55 GLY H 1.0 . 5.50 149 144 A 81 VAL HGy% A 56 ASP H 1.0 . 4.64 150 145 A 81 VAL H A 81 VAL HB 1.0 . 3.83 151 146 A 81 VAL H A 80 LEU HG 1.0 . 4.10 152 147 A 42 THR H A 44 ASN H 1.0 . 4.65 153 148 A 41 LYS H A 42 THR H 1.0 . 4.93 154 149 A 42 THR H A 46 THR HA 1.0 . 3.94 155 150 A 42 THR H A 41 LYS HGx 1.0 . 4.14 156 151 A 46 THR HG2% A 42 THR H 1.0 . 5.10 157 152 A 104 ILE H A 104 ILE HG1y 1.0 . 4.82 158 153 A 105 ASP H A 104 ILE H 1.0 . 4.01 159 154 A 104 ILE H A 103 SER HBx 1.0 . 4.12 160 155 A 49 LEU HBx A 50 SER H 1.0 . 4.38 161 156 A 23 TYR H A 23 TYR HBy 1.0 . 4.00 162 157 A 23 TYR H A 22 GLU HGy 1.0 . 4.15 163 158 A 82 THR H A 81 VAL HB 1.0 . 4.34 164 159 A 23 TYR H A 23 TYR HBx 1.0 . 3.67 165 160 A 68 TYR HBy A 69 ASP H 1.0 . 4.13 166 161 A 69 ASP H A 69 ASP HBy 1.0 . 4.11 167 162 A 8 SER H A 40 LYS HA 1.0 . 5.43 168 163 A 60 HIS HBy A 67 SER H 1.0 . 4.50 169 164 A 67 SER H A 61 VAL HA 1.0 . 4.13 170 165 A 82 THR HB A 82 THR H 1.0 . 3.24 171 166 A 82 THR H A 81 VAL HA 1.0 . 2.95 172 167 A 41 LYS H A 8 SER H 1.0 . 3.72 173 168 A 8 SER H A 9 TYR HE% 1.0 . 5.50 174 169 A 8 SER HBy A 8 SER H 1.0 . 3.57 175 170 A 8 SER H A 41 LYS HBy 1.0 . 5.09 176 171 A 77 ARG H A 71 ASN HD2y 1.0 . 4.79 177 172 A 77 ARG H A 77 ARG HB2 1.0 . 3.83 178 172 A 77 ARG H A 77 ARG HB3 1.0 . 3.83 179 173 A 8 SER H A 7 VAL H 1.0 . 4.86 180 174 A 9 TYR HE% A 9 TYR H 1.0 . 5.50 181 175 A 9 TYR H A 9 TYR HBx 1.0 . 3.49 182 176 A 85 GLN H A 90 LYS H 1.0 . 4.71 183 177 A 90 LYS H A 88 SER HBy 1.0 . 3.97 184 178 A 90 LYS H A 90 LYS HBy 1.0 . 3.85 185 179 A 90 LYS H A 90 LYS HBx 1.0 . 3.25 186 180 A 85 GLN HBx A 90 LYS H 1.0 . 4.77 187 181 A 12 SER H A 10 TYR HE% 1.0 . 5.50 188 181 A 12 SER H A 10 TYR HD% 1.0 . 5.50 189 182 A 37 THR H A 12 SER H 1.0 . 3.65 190 183 A 12 SER H A 11 PHE HBx 1.0 . 5.08 191 184 A 37 THR HG2% A 12 SER H 1.0 . 5.08 192 185 A 12 SER H A 92 LEU HDy% 1.0 . 5.45 193 186 A 38 SER HBx A 38 SER H 1.0 . 4.18 194 187 A 38 SER H A 36 ILE HG2% 1.0 . 5.07 195 188 A 38 SER H A 51 TRP HZ3 1.0 . 5.50 196 189 A 60 HIS H A 59 ILE H 1.0 . 5.18 197 190 A 58 TRP HBx A 59 ILE H 1.0 . 5.42 198 191 A 59 ILE H A 59 ILE HG2% 1.0 . 4.94 199 192 A 59 ILE HD1% A 59 ILE H 1.0 . 4.60 200 193 A 59 ILE H A 57 SER HA 1.0 . 4.36 201 194 A 59 ILE H A 59 ILE HG1y 1.0 . 4.02 202 195 A 59 ILE H A 58 TRP HD1 1.0 . 5.50 203 196 A 49 LEU H A 40 LYS H 1.0 . 4.96 204 197 A 49 LEU H A 39 TYR HBx 1.0 . 5.10 205 198 A 83 LEU H A 92 LEU H 1.0 . 3.82 206 199 A 92 LEU H A 83 LEU HBy 1.0 . 4.63 207 200 A 92 LEU H A 92 LEU HBx 1.0 . 4.16 208 201 A 34 LEU H A 33 ILE H 1.0 . 5.50 209 202 A 49 LEU H A 39 TYR H 1.0 . 5.40 210 203 A 33 ILE H A 32 PHE HBx 1.0 . 3.44 211 204 A 26 ASP H A 27 SER H 1.0 . 4.19 212 205 A 69 ASP HBx A 70 GLU H 1.0 . 4.30 213 206 A 70 GLU H A 69 ASP HA 1.0 . 3.14 214 207 A 70 GLU HBx A 70 GLU H 1.0 . 3.86 215 208 A 70 GLU H A 29 ALA HB% 1.0 . 3.92 216 209 A 29 ALA HB% A 68 TYR H 1.0 . 5.50 217 210 A 67 SER H A 68 TYR H 1.0 . 4.76 218 211 A 68 TYR H A 29 ALA HA 1.0 . 5.50 219 212 A 30 GLY H A 68 TYR H 1.0 . 3.39 220 213 A 68 TYR H A 31 SER HA 1.0 . 4.04 221 214 A 68 TYR H A 66 VAL HGy% 1.0 . 5.50 222 215 A 28 SER H A 28 SER HBx 1.0 . 3.24 223 216 A 28 SER H A 25 ASP H 1.0 . 3.70 224 217 A 77 ARG HA A 78 THR H 1.0 . 2.99 225 218 A 78 THR HG2% A 78 THR H 1.0 . 4.80 226 219 A 9 TYR HD% A 88 SER H 1.0 . 4.92 227 220 A 88 SER H A 86 ASP HA 1.0 . 5.18 228 221 A 88 SER HBy A 88 SER H 1.0 . 3.63 229 222 A 88 SER H A 87 GLU HBy 1.0 . 3.43 230 223 A 88 SER H A 85 GLN HBy 1.0 . 4.46 231 224 A 49 LEU HDy% A 88 SER H 1.0 . 4.69 232 225 A 12 SER H A 13 TYR H 1.0 . 4.69 233 226 A 13 TYR HBx A 13 TYR H 1.0 . 3.47 234 227 A 80 LEU H A 79 GLY H 1.0 . 5.01 235 228 A 79 GLY H A 96 ILE HG2% 1.0 . 5.50 236 229 A 59 ILE HD1% A 79 GLY H 1.0 . 5.34 237 230 A 92 LEU HDy% A 13 TYR H 1.0 . 4.62 238 231 A 51 TRP HA A 52 ASN H 1.0 . 3.46 239 232 A 51 TRP HBx A 52 ASN H 1.0 . 3.59 240 233 A 102 THR H A 103 SER H 1.0 . 3.35 241 234 A 105 ASP H A 103 SER H 1.0 . 4.02 242 235 A 103 SER H A 102 THR HA 1.0 . 2.96 243 236 A 103 SER HBx A 103 SER H 1.0 . 3.52 244 237 A 103 SER H A 101 LYS HGx 1.0 . 4.06 245 238 A 42 THR HG2% A 43 GLY H 1.0 . 5.45 246 239 A 47 LYS H A 46 THR H 1.0 . 4.02 247 240 A 5 SER H A 4 GLY HA2 1.0 . 3.39 248 240 A 4 GLY HA3 A 5 SER H 1.0 . 3.39 249 241 A 5 SER H A 5 SER HB2 1.0 . 3.73 250 241 A 5 SER H A 5 SER HB3 1.0 . 3.73 251 242 A 75 GLU H A 74 LYS H 1.0 . 3.17 252 243 A 75 GLU H A 76 ARG H 1.0 . 4.74 253 244 A 75 GLU H A 100 GLY HAy 1.0 . 5.21 254 245 A 75 GLU H A 75 GLU HBx 1.0 . 3.10 255 246 A 75 GLU H A 73 ALA HB% 1.0 . 3.37 256 247 A 75 GLU H A 100 GLY HAx 1.0 . 5.10 257 248 A 85 GLN HE2x A 89 GLY H 1.0 . 5.50 258 249 A 46 THR H A 45 SER H 1.0 . 4.31 259 250 A 46 THR H A 45 SER HA 1.0 . 2.71 260 251 A 46 THR H A 45 SER HBy 1.0 . 3.60 261 252 A 102 THR H A 101 LYS HA 1.0 . 2.58 262 253 A 102 THR H A 101 LYS HGx 1.0 . 3.59 263 254 A 85 GLN HE2y A 85 GLN HBy 1.0 . 5.50 264 255 A 85 GLN HE2y A 49 LEU HBx 1.0 . 4.20 265 256 A 85 GLN HE2x A 11 PHE HBy 1.0 . 5.40 266 257 A 85 GLN HE2x A 38 SER HBx 1.0 . 5.50 267 258 A 85 GLN HE2y A 89 GLY H 1.0 . 5.50 268 259 A 85 GLN HE2x A 11 PHE HBx 1.0 . 4.73 269 260 A 85 GLN HE2x A 85 GLN HBy 1.0 . 5.50 270 261 A 85 GLN HE2x A 49 LEU HDy% 1.0 . 5.28 271 262 A 61 VAL HGx% A 63 GLY H 1.0 . 5.10 272 263 A 64 SER H A 63 GLY H 1.0 . 4.91 273 264 A 32 PHE H A 67 SER HA 1.0 . 4.08 274 265 A 66 VAL HA A 32 PHE H 1.0 . 5.15 275 266 A 66 VAL H A 32 PHE H 1.0 . 3.68 276 267 A 63 GLY H A 62 ASN HBx 1.0 . 5.37 277 268 A 40 LYS H A 48 ALA HA 1.0 . 4.49 278 269 A 40 LYS H A 39 TYR HBx 1.0 . 3.62 279 270 A 40 LYS H A 40 LYS HBy 1.0 . 3.76 280 271 A 40 LYS H A 40 LYS HGy 1.0 . 4.18 281 272 A 65 SER HBx A 65 SER H 1.0 . 3.02 282 273 A 65 SER H A 63 GLY HAx 1.0 . 4.91 283 274 A 65 SER H A 62 ASN HBy 1.0 . 5.50 284 275 A 19 SER H A 92 LEU HDy% 1.0 . 5.50 285 276 A 19 SER H A 18 THR H 1.0 . 2.88 286 277 A 13 TYR HE% A 19 SER H 1.0 . 4.59 287 278 A 19 SER H A 20 HIS HA 1.0 . 4.70 288 279 A 19 SER H A 17 GLY HAx 1.0 . 4.24 289 280 A 19 SER H A 19 SER HBy 1.0 . 3.40 290 281 A 44 ASN H A 45 SER H 1.0 . 3.48 291 282 A 42 THR H A 45 SER H 1.0 . 3.64 292 283 A 45 SER H A 41 LYS HA 1.0 . 5.21 293 284 A 45 SER H A 45 SER HBy 1.0 . 3.09 294 285 A 45 SER H A 43 GLY HAx 1.0 . 4.72 295 286 A 45 SER H A 44 ASN HBx 1.0 . 4.83 296 287 A 41 LYS HGx A 45 SER H 1.0 . 5.18 297 288 A 43 GLY H A 45 SER H 1.0 . 5.50 298 289 A 26 ASP H A 99 PRO HBx 1.0 . 5.50 299 290 A 58 TRP HE1 A 58 TRP H 1.0 . 5.17 300 291 A 57 SER H A 58 TRP H 1.0 . 3.79 301 292 A 56 ASP HA A 58 TRP H 1.0 . 5.02 302 293 A 58 TRP HBx A 58 TRP H 1.0 . 3.86 303 294 A 56 ASP HBy A 58 TRP H 1.0 . 4.40 304 295 A 59 ILE HD1% A 58 TRP H 1.0 . 5.50 305 296 A 82 THR H A 54 SER H 1.0 . 3.82 306 297 A 88 SER H A 87 GLU H 1.0 . 4.90 307 298 A 55 GLY H A 54 SER H 1.0 . 4.34 308 299 A 87 GLU H A 87 GLU HG2 1.0 . 3.76 309 299 A 87 GLU H A 87 GLU HG3 1.0 . 3.76 310 300 A 83 LEU HA A 54 SER H 1.0 . 4.37 311 301 A 14 ALA H A 15 ASP H 1.0 . 3.74 312 302 A 17 GLY H A 15 ASP H 1.0 . 4.37 313 303 A 15 ASP H A 16 GLY H 1.0 . 3.26 314 304 A 15 ASP H A 16 GLY HAx 1.0 . 5.08 315 305 A 13 TYR HBy A 15 ASP H 1.0 . 4.01 316 306 A 15 ASP H A 15 ASP HBy 1.0 . 4.11 317 307 A 15 ASP H A 15 ASP HBx 1.0 . 3.46 318 308 A 56 ASP HBy A 57 SER H 1.0 . 4.08 319 309 A 52 ASN HD2x A 53 ALA H 1.0 . 5.50 320 310 A 52 ASN HA A 52 ASN HD2y 1.0 . 5.50 321 311 A 51 TRP HA A 52 ASN HD2y 1.0 . 5.50 322 312 A 53 ALA H A 52 ASN HD2y 1.0 . 5.50 323 313 A 52 ASN H A 52 ASN HD2y 1.0 . 5.20 324 314 A 50 SER H A 51 TRP H 1.0 . 4.51 325 315 A 51 TRP H A 86 ASP HB2 1.0 . 5.50 326 315 A 51 TRP H A 86 ASP HB3 1.0 . 5.50 327 316 A 93 SER H A 92 LEU HBy 1.0 . 4.06 328 317 A 44 ASN HBx A 44 ASN HD2y 1.0 . 3.56 329 318 A 62 ASN HBy A 62 ASN HD2y 1.0 . 3.99 330 319 A 62 ASN H A 62 ASN HD2x 1.0 . 5.50 331 320 A 62 ASN H A 62 ASN HD2y 1.0 . 5.50 332 321 A 98 GLN HE2x A 71 ASN H 1.0 . 5.27 333 322 A 67 SER HA A 31 SER H 1.0 . 5.02 334 323 A 30 GLY H A 31 SER H 1.0 . 4.32 335 324 A 32 PHE H A 31 SER H 1.0 . 4.56 336 325 A 31 SER H A 30 GLY HAy 1.0 . 3.11 337 326 A 31 SER H A 30 GLY HAx 1.0 . 2.96 338 327 A 55 GLY H A 54 SER HA 1.0 . 2.73 339 328 A 55 GLY H A 54 SER HBy 1.0 . 3.21 340 329 A 81 VAL HGy% A 55 GLY H 1.0 . 5.50 341 330 A 25 ASP H A 24 PRO HGy 1.0 . 5.00 342 331 A 25 ASP H A 25 ASP HBy 1.0 . 3.30 343 332 A 25 ASP H A 24 PRO HBx 1.0 . 3.73 344 333 A 5 SER H A 4 GLY H 1.0 . 4.97 345 334 A 89 GLY H A 88 SER HBx 1.0 . 4.69 346 335 A 89 GLY H A 84 LYS HA 1.0 . 5.50 347 336 A 90 LYS H A 89 GLY H 1.0 . 3.48 348 337 A 85 GLN HBy A 89 GLY H 1.0 . 4.34 349 338 A 85 GLN HBx A 89 GLY H 1.0 . 5.34 350 339 A 71 ASN HD2y A 76 ARG HA 1.0 . 4.47 351 340 A 71 ASN HD2y A 73 ALA HB% 1.0 . 5.23 352 341 A 71 ASN HD2y A 100 GLY H 1.0 . 5.50 353 342 A 77 ARG H A 71 ASN HD2x 1.0 . 5.50 354 343 A 71 ASN HD2x A 76 ARG HA 1.0 . 4.70 355 344 A 17 GLY H A 16 GLY H 1.0 . 3.53 356 345 A 17 GLY H A 13 TYR HBx 1.0 . 4.49 357 346 A 14 ALA H A 16 GLY H 1.0 . 4.52 358 347 A 16 GLY H A 15 ASP HA 1.0 . 3.36 359 348 A 16 GLY H A 14 ALA HA 1.0 . 4.53 360 349 A 13 TYR HBy A 16 GLY H 1.0 . 5.50 361 350 A 16 GLY H A 15 ASP HBy 1.0 . 5.50 362 351 A 30 GLY H A 31 SER HA 1.0 . 5.31 363 352 A 30 GLY H A 67 SER HA 1.0 . 5.03 364 353 A 30 GLY H A 32 PHE H 1.0 . 5.50 365 354 A 30 GLY H A 69 ASP HA 1.0 . 5.17 366 355 A 90 LYS HBy A 91 THR H 1.0 . 3.86 367 356 A 91 THR H A 90 LYS HGy 1.0 . 4.53 368 357 A 101 LYS H A 100 GLY H 1.0 . 5.50 369 358 A 71 ASN HD2x A 100 GLY H 1.0 . 5.38 370 359 A 99 PRO HA A 100 GLY H 1.0 . 2.97 371 360 A 13 TYR H A 18 THR H 1.0 . 5.35 372 361 A 19 SER HBy A 18 THR H 1.0 . 4.93 373 362 A 18 THR H A 17 GLY HAy 1.0 . 3.29 374 363 A 18 THR H A 17 GLY HAx 1.0 . 3.54 375 364 A 13 TYR HD% A 18 THR H 1.0 . 5.50 376 365 A 61 VAL HGx% A 63 GLY HAx 1.0 . 5.35 377 366 A 85 GLN HE2y A 49 LEU HBy 1.0 . 4.70 378 367 A 85 GLN HGy A 49 LEU HBy 1.0 . 4.76 379 368 A 49 LEU HBy A 86 ASP HB2 1.0 . 4.34 380 368 A 86 ASP HB3 A 49 LEU HBy 1.0 . 4.34 381 369 A 50 SER H A 49 LEU HBy 1.0 . 4.67 382 370 A 85 GLN HGy A 49 LEU HBx 1.0 . 4.82 383 371 A 49 LEU HBx A 39 TYR HA 1.0 . 4.93 384 372 A 89 GLY HAy A 84 LYS HG2 1.0 . 3.52 385 372 A 84 LYS HG3 A 89 GLY HAy 1.0 . 3.52 386 373 A 89 GLY HAy A 84 LYS HD2 1.0 . 4.58 387 373 A 89 GLY HAy A 84 LYS HD3 1.0 . 4.58 388 374 A 89 GLY HAx A 84 LYS HG2 1.0 . 3.41 389 374 A 84 LYS HG3 A 89 GLY HAx 1.0 . 3.41 390 375 A 84 LYS HA A 89 GLY HAx 1.0 . 5.01 391 376 A 89 GLY HAx A 84 LYS HE2 1.0 . 4.41 392 376 A 89 GLY HAx A 84 LYS HE3 1.0 . 4.41 393 377 A 81 VAL HA A 80 LEU HBy 1.0 . 4.63 394 378 A 80 LEU HBx A 95 LYS HA 1.0 . 5.21 395 379 A 80 LEU H A 80 LEU HBy 1.0 . 3.37 396 380 A 80 LEU HBy A 80 LEU HDy% 1.0 . 3.56 397 380 A 80 LEU HBy A 80 LEU HDx% 1.0 . 3.56 398 381 A 80 LEU H A 80 LEU HBx 1.0 . 3.40 399 382 A 80 LEU HBx A 80 LEU HDy% 1.0 . 3.59 400 382 A 80 LEU HBx A 80 LEU HDx% 1.0 . 3.59 401 383 A 82 THR H A 55 GLY HAx 1.0 . 4.33 402 384 A 55 GLY HAx A 81 VAL HGx% 1.0 . 4.47 403 385 A 56 ASP H A 55 GLY HAx 1.0 . 3.43 404 386 A 54 SER HA A 55 GLY HAy 1.0 . 4.37 405 387 A 69 ASP HA A 30 GLY HAx 1.0 . 4.93 406 388 A 29 ALA HB% A 30 GLY HAy 1.0 . 5.50 407 389 A 29 ALA HB% A 30 GLY HAx 1.0 . 5.50 408 390 A 34 LEU HBx A 13 TYR HE% 1.0 . 4.82 409 391 A 83 LEU HDx% A 92 LEU HBy 1.0 . 4.14 410 392 A 92 LEU HDy% A 92 LEU HBy 1.0 . 4.19 411 393 A 92 LEU HBy A 92 LEU HDx% 1.0 . 3.97 412 394 A 13 TYR HE% A 92 LEU HBy 1.0 . 4.30 413 395 A 83 LEU HBy A 92 LEU HBx 1.0 . 4.88 414 396 A 83 LEU H A 92 LEU HBx 1.0 . 4.88 415 397 A 93 SER H A 92 LEU HBx 1.0 . 4.26 416 398 A 83 LEU HDx% A 92 LEU HBx 1.0 . 3.66 417 399 A 34 LEU H A 34 LEU HBy 1.0 . 3.64 418 400 A 35 ASP H A 34 LEU HBy 1.0 . 4.38 419 401 A 34 LEU HBy A 34 LEU HDx% 1.0 . 3.48 420 402 A 36 ILE HG1x A 34 LEU HBy 1.0 . 5.50 421 403 A 34 LEU H A 34 LEU HBx 1.0 . 4.16 422 404 A 34 LEU HBx A 34 LEU HDy% 1.0 . 3.41 423 405 A 34 LEU HBx A 36 ILE HD1% 1.0 . 4.20 424 406 A 13 TYR HBx A 17 GLY HAy 1.0 . 5.18 425 407 A 36 ILE HG1x A 34 LEU HBx 1.0 . 4.72 426 408 A 19 SER H A 17 GLY HAy 1.0 . 4.93 427 409 A 17 GLY HAy A 18 THR HG2% 1.0 . 5.11 428 410 A 17 GLY HAx A 18 THR HG2% 1.0 . 5.44 429 411 A 78 THR HA A 79 GLY HAx 1.0 . 4.91 430 412 A 58 TRP HE1 A 79 GLY HAx 1.0 . 4.97 431 413 A 80 LEU H A 79 GLY HAx 1.0 . 3.41 432 414 A 79 GLY HAx A 96 ILE HB 1.0 . 5.22 433 415 A 71 ASN HD2y A 100 GLY HAy 1.0 . 3.91 434 416 A 71 ASN HD2x A 100 GLY HAy 1.0 . 3.82 435 417 A 100 GLY HAy A 74 LYS HA 1.0 . 4.48 436 418 A 101 LYS H A 100 GLY HAx 1.0 . 3.37 437 419 A 71 ASN HD2y A 100 GLY HAx 1.0 . 4.09 438 420 A 71 ASN HD2x A 100 GLY HAx 1.0 . 3.98 439 421 A 76 ARG HD2 A 76 ARG HGx 1.0 . 2.91 440 421 A 76 ARG HD3 A 76 ARG HGx 1.0 . 2.91 441 421 A 76 ARG HGy A 76 ARG HD2 1.0 . 2.91 442 421 A 76 ARG HD3 A 76 ARG HGy 1.0 . 2.91 443 422 A 97 VAL HGy% A 76 ARG HD2 1.0 . 3.13 444 422 A 76 ARG HD3 A 97 VAL HGy% 1.0 . 3.13 445 423 A 94 LEU HDx% A 94 LEU HBx 1.0 . 4.15 446 424 A 94 LEU HBx A 94 LEU HDy% 1.0 . 4.05 447 425 A 69 ASP HBy A 70 GLU H 1.0 . 3.35 448 426 A 69 ASP H A 69 ASP HBx 1.0 . 3.41 449 427 A 69 ASP HBy A 58 TRP HBy 1.0 . 4.42 450 428 A 83 LEU HBy A 92 LEU HDx% 1.0 . 4.98 451 429 A 52 ASN H A 52 ASN HB2 1.0 . 3.33 452 429 A 52 ASN H A 52 ASN HB3 1.0 . 3.33 453 430 A 83 LEU H A 83 LEU HBy 1.0 . 3.93 454 431 A 83 LEU HDx% A 83 LEU HBy 1.0 . 4.21 455 432 A 84 LYS H A 83 LEU HBx 1.0 . 4.93 456 433 A 92 LEU H A 83 LEU HBx 1.0 . 5.23 457 434 A 83 LEU HDx% A 83 LEU HBx 1.0 . 3.85 458 435 A 48 ALA H A 47 LYS HE2 1.0 . 5.16 459 435 A 48 ALA H A 47 LYS HE3 1.0 . 5.16 460 436 A 47 LYS HBx A 47 LYS HE2 1.0 . 2.65 461 436 A 47 LYS HBy A 47 LYS HE2 1.0 . 2.65 462 436 A 47 LYS HE3 A 47 LYS HBx 1.0 . 2.65 463 436 A 47 LYS HE3 A 47 LYS HBy 1.0 . 2.65 464 437 A 47 LYS HE2 A 47 LYS HGy 1.0 . 3.06 465 437 A 47 LYS HE3 A 47 LYS HGy 1.0 . 3.06 466 437 A 47 LYS HGx A 47 LYS HE2 1.0 . 3.06 467 437 A 47 LYS HE3 A 47 LYS HGx 1.0 . 3.06 468 438 A 72 PRO HA A 101 LYS HE2 1.0 . 4.13 469 438 A 72 PRO HA A 101 LYS HE3 1.0 . 4.13 470 439 A 41 LYS HGx A 41 LYS HE2 1.0 . 3.07 471 439 A 41 LYS HGx A 41 LYS HE3 1.0 . 3.07 472 440 A 53 ALA H A 52 ASN HB2 1.0 . 2.94 473 440 A 53 ALA H A 52 ASN HB3 1.0 . 2.94 474 441 A 52 ASN HD2y A 52 ASN HB2 1.0 . 3.67 475 441 A 52 ASN HD2y A 52 ASN HB3 1.0 . 3.67 476 442 A 40 LYS HGy A 40 LYS HE2 1.0 . 3.69 477 442 A 40 LYS HGy A 40 LYS HE3 1.0 . 3.69 478 443 A 9 TYR HE% A 40 LYS HE2 1.0 . 5.22 479 443 A 9 TYR HE% A 40 LYS HE3 1.0 . 5.22 480 444 A 74 LYS H A 74 LYS HE2 1.0 . 4.49 481 444 A 74 LYS H A 74 LYS HE3 1.0 . 4.49 482 445 A 56 ASP HBy A 56 ASP H 1.0 . 3.87 483 446 A 56 ASP HBy A 59 ILE HD1% 1.0 . 5.03 484 447 A 56 ASP HBx A 58 TRP H 1.0 . 4.52 485 448 A 56 ASP HBx A 80 LEU H 1.0 . 4.33 486 449 A 56 ASP HBx A 56 ASP H 1.0 . 3.55 487 450 A 74 LYS HD3 A 74 LYS HE2 1.0 . 2.78 488 450 A 74 LYS HD2 A 74 LYS HE2 1.0 . 2.78 489 450 A 74 LYS HE3 A 74 LYS HD2 1.0 . 2.78 490 450 A 74 LYS HE3 A 74 LYS HD3 1.0 . 2.78 491 451 A 74 LYS HGx A 74 LYS HE2 1.0 . 3.05 492 451 A 74 LYS HE3 A 74 LYS HGx 1.0 . 3.05 493 452 A 41 LYS HE3 A 10 TYR HE% 1.0 . 5.50 494 452 A 10 TYR HE% A 41 LYS HE2 1.0 . 5.50 495 452 A 41 LYS HE3 A 10 TYR HD% 1.0 . 5.50 496 452 A 10 TYR HD% A 41 LYS HE2 1.0 . 5.50 497 453 A 42 THR H A 41 LYS HE2 1.0 . 4.79 498 453 A 42 THR H A 41 LYS HE3 1.0 . 4.79 499 454 A 56 ASP HBy A 80 LEU H 1.0 . 4.80 500 455 A 56 ASP HBx A 59 ILE HD1% 1.0 . 4.49 501 456 A 56 ASP HBx A 57 SER H 1.0 . 4.48 502 457 A 95 LYS HB2 A 95 LYS HEy 1.0 . 3.79 503 457 A 95 LYS HB3 A 95 LYS HEy 1.0 . 3.79 504 457 A 95 LYS HEx A 95 LYS HB2 1.0 . 3.79 505 457 A 95 LYS HB3 A 95 LYS HEx 1.0 . 3.79 506 458 A 37 THR H A 36 ILE HB 1.0 . 5.36 507 459 A 84 LYS HD2 A 84 LYS HE2 1.0 . 2.92 508 459 A 84 LYS HD3 A 84 LYS HE2 1.0 . 2.92 509 459 A 84 LYS HE3 A 84 LYS HD2 1.0 . 2.92 510 459 A 84 LYS HD3 A 84 LYS HE3 1.0 . 2.92 511 460 A 84 LYS HE2 A 84 LYS HG2 1.0 . 3.10 512 460 A 84 LYS HE3 A 84 LYS HG2 1.0 . 3.10 513 460 A 84 LYS HG3 A 84 LYS HE2 1.0 . 3.10 514 460 A 84 LYS HG3 A 84 LYS HE3 1.0 . 3.10 515 461 A 89 GLY H A 84 LYS HE2 1.0 . 4.49 516 461 A 89 GLY H A 84 LYS HE3 1.0 . 4.49 517 462 A 9 TYR HBy A 10 TYR HE% 1.0 . 5.25 518 462 A 9 TYR HBy A 10 TYR HD% 1.0 . 5.25 519 463 A 89 GLY HAy A 84 LYS HE2 1.0 . 3.68 520 463 A 89 GLY HAy A 84 LYS HE3 1.0 . 3.68 521 464 A 9 TYR HBy A 9 TYR H 1.0 . 3.99 522 465 A 10 TYR H A 9 TYR HBx 1.0 . 5.38 523 466 A 79 GLY H A 96 ILE HB 1.0 . 4.45 524 467 A 68 TYR HBy A 59 ILE HG2% 1.0 . 4.82 525 468 A 69 ASP H A 68 TYR HBx 1.0 . 4.43 526 469 A 59 ILE HG2% A 68 TYR HBx 1.0 . 5.50 527 470 A 50 SER H A 86 ASP HB2 1.0 . 3.69 528 470 A 50 SER H A 86 ASP HB3 1.0 . 3.69 529 471 A 86 ASP H A 86 ASP HB2 1.0 . 2.84 530 471 A 86 ASP H A 86 ASP HB3 1.0 . 2.84 531 472 A 51 TRP HA A 86 ASP HB2 1.0 . 4.35 532 472 A 51 TRP HA A 86 ASP HB3 1.0 . 4.35 533 473 A 49 LEU HBx A 86 ASP HB2 1.0 . 3.52 534 473 A 49 LEU HBx A 86 ASP HB3 1.0 . 3.52 535 474 A 95 LYS HA A 96 ILE HB 1.0 . 4.76 536 475 A 96 ILE H A 96 ILE HB 1.0 . 3.64 537 476 A 97 VAL H A 96 ILE HB 1.0 . 4.66 538 477 A 96 ILE HB A 96 ILE HD1% 1.0 . 3.87 539 478 A 59 ILE HD1% A 96 ILE HB 1.0 . 4.14 540 479 A 11 PHE H A 11 PHE HBy 1.0 . 4.00 541 480 A 87 GLU H A 86 ASP HB2 1.0 . 3.26 542 480 A 87 GLU H A 86 ASP HB3 1.0 . 3.26 543 481 A 86 ASP HA A 86 ASP HB2 1.0 . 2.91 544 481 A 86 ASP HA A 86 ASP HB3 1.0 . 2.91 545 482 A 86 ASP HB3 A 87 GLU HG2 1.0 . 3.01 546 482 A 86 ASP HB2 A 87 GLU HG2 1.0 . 3.01 547 482 A 87 GLU HG3 A 86 ASP HB2 1.0 . 3.01 548 482 A 87 GLU HG3 A 86 ASP HB3 1.0 . 3.01 549 483 A 49 LEU HDx% A 86 ASP HB2 1.0 . 3.41 550 483 A 86 ASP HB3 A 49 LEU HDx% 1.0 . 3.41 551 484 A 89 GLY H A 11 PHE HBy 1.0 . 4.36 552 485 A 85 GLN HE2y A 11 PHE HBx 1.0 . 4.78 553 486 A 90 LYS HBx A 11 PHE HBx 1.0 . 4.36 554 487 A 11 PHE HBx A 89 GLY H 1.0 . 4.33 555 488 A 32 PHE HBx A 33 ILE HB 1.0 . 4.82 556 489 A 39 TYR HBy A 46 THR HB 1.0 . 5.19 557 490 A 34 LEU H A 33 ILE HB 1.0 . 4.25 558 491 A 33 ILE H A 33 ILE HB 1.0 . 3.02 559 492 A 33 ILE H A 32 PHE HBy 1.0 . 3.74 560 493 A 40 LYS H A 39 TYR HBy 1.0 . 3.81 561 494 A 48 ALA HA A 39 TYR HBy 1.0 . 3.91 562 495 A 49 LEU H A 39 TYR HBy 1.0 . 4.96 563 496 A 39 TYR HBx A 48 ALA HA 1.0 . 3.90 564 497 A 46 THR HG2% A 39 TYR HBx 1.0 . 5.23 565 498 A 46 THR HG2% A 39 TYR HBy 1.0 . 5.30 566 499 A 10 TYR HBy A 39 TYR HE% 1.0 . 5.19 567 500 A 10 TYR HBx A 38 SER HA 1.0 . 4.92 568 501 A 62 ASN H A 62 ASN HBy 1.0 . 3.44 569 502 A 65 SER HBx A 62 ASN HBy 1.0 . 3.63 570 503 A 62 ASN H A 62 ASN HBx 1.0 . 3.38 571 504 A 62 ASN HBx A 62 ASN HD2y 1.0 . 3.88 572 505 A 65 SER HBx A 62 ASN HBx 1.0 . 3.82 573 506 A 61 VAL HGx% A 62 ASN HBx 1.0 . 5.27 574 507 A 44 ASN HBx A 44 ASN HA 1.0 . 2.96 575 508 A 45 SER H A 44 ASN HBy 1.0 . 4.21 576 509 A 44 ASN HD2y A 44 ASN HBy 1.0 . 3.80 577 510 A 104 ILE HB A 104 ILE H 1.0 . 3.75 578 511 A 14 ALA H A 13 TYR HBy 1.0 . 3.62 579 512 A 13 TYR HBy A 13 TYR H 1.0 . 3.82 580 513 A 13 TYR HBy A 36 ILE HA 1.0 . 4.87 581 514 A 13 TYR HBy A 14 ALA HB% 1.0 . 5.50 582 515 A 13 TYR HBx A 14 ALA HA 1.0 . 5.14 583 516 A 13 TYR HBx A 15 ASP H 1.0 . 4.80 584 517 A 71 ASN HBx A 72 PRO HDx 1.0 . 4.82 585 518 A 71 ASN HBx A 70 GLU HA 1.0 . 4.70 586 519 A 59 ILE H A 59 ILE HB 1.0 . 3.39 587 520 A 59 ILE HD1% A 59 ILE HB 1.0 . 3.75 588 521 A 60 HIS H A 59 ILE HB 1.0 . 4.62 589 522 A 41 LYS HBx A 41 LYS HE2 1.0 . 4.64 590 522 A 41 LYS HE3 A 41 LYS HBx 1.0 . 4.64 591 523 A 46 THR HG2% A 41 LYS HBy 1.0 . 4.80 592 524 A 42 THR H A 41 LYS HBy 1.0 . 4.13 593 525 A 41 LYS HBy A 10 TYR HE% 1.0 . 3.89 594 525 A 41 LYS HBy A 10 TYR HD% 1.0 . 3.89 595 526 A 41 LYS HBy A 39 TYR HE% 1.0 . 4.39 596 527 A 40 LYS HA A 41 LYS HBy 1.0 . 4.82 597 528 A 8 SER HBy A 41 LYS HBy 1.0 . 3.72 598 529 A 8 SER HBy A 41 LYS HBx 1.0 . 4.31 599 530 A 41 LYS H A 41 LYS HBx 1.0 . 3.96 600 531 A 39 TYR HD% A 41 LYS HBx 1.0 . 5.02 601 532 A 41 LYS HBx A 10 TYR HE% 1.0 . 4.26 602 532 A 41 LYS HBx A 10 TYR HD% 1.0 . 4.26 603 533 A 39 TYR HE% A 41 LYS HBx 1.0 . 3.89 604 534 A 46 THR HG2% A 41 LYS HBx 1.0 . 4.27 605 535 A 42 THR H A 41 LYS HBx 1.0 . 4.25 606 536 A 76 ARG H A 75 GLU HGy 1.0 . 4.33 607 537 A 75 GLU H A 75 GLU HGy 1.0 . 4.17 608 538 A 75 GLU HGy A 75 GLU HA 1.0 . 3.60 609 539 A 75 GLU HGx A 75 GLU HA 1.0 . 3.66 610 540 A 75 GLU H A 75 GLU HGx 1.0 . 4.07 611 541 A 88 SER H A 87 GLU HG2 1.0 . 4.31 612 541 A 88 SER H A 87 GLU HG3 1.0 . 4.31 613 542 A 9 TYR HE% A 87 GLU HG2 1.0 . 4.42 614 542 A 9 TYR HE% A 87 GLU HG3 1.0 . 4.42 615 543 A 87 GLU HBy A 87 GLU HG2 1.0 . 2.88 616 543 A 87 GLU HBy A 87 GLU HG3 1.0 . 2.88 617 544 A 49 LEU HDx% A 87 GLU HG2 1.0 . 4.18 618 544 A 87 GLU HG3 A 49 LEU HDx% 1.0 . 4.18 619 545 A 41 LYS H A 41 LYS HBy 1.0 . 3.58 620 546 A 40 LYS HA A 41 LYS HBx 1.0 . 4.89 621 547 A 46 THR HB A 41 LYS HBx 1.0 . 5.23 622 548 A 40 LYS H A 40 LYS HBx 1.0 . 3.93 623 549 A 81 VAL HB A 54 SER H 1.0 . 4.64 624 550 A 59 ILE HD1% A 81 VAL HB 1.0 . 4.86 625 551 A 47 LYS H A 47 LYS HBx 1.0 . 3.34 626 551 A 47 LYS H A 47 LYS HBy 1.0 . 3.34 627 552 A 40 LYS HBy A 40 LYS HE2 1.0 . 3.81 628 552 A 40 LYS HBy A 40 LYS HE3 1.0 . 3.81 629 553 A 42 THR HG2% A 40 LYS HBy 1.0 . 3.73 630 554 A 95 LYS H A 95 LYS HB2 1.0 . 3.35 631 554 A 95 LYS H A 95 LYS HB3 1.0 . 3.35 632 555 A 96 ILE H A 95 LYS HB2 1.0 . 4.06 633 555 A 96 ILE H A 95 LYS HB3 1.0 . 4.06 634 556 A 22 GLU H A 95 LYS HB2 1.0 . 5.38 635 556 A 22 GLU H A 95 LYS HB3 1.0 . 5.38 636 557 A 70 GLU HGy A 101 LYS HE2 1.0 . 5.16 637 557 A 101 LYS HE3 A 70 GLU HGy 1.0 . 5.16 638 558 A 71 ASN H A 70 GLU HGy 1.0 . 4.09 639 559 A 70 GLU HA A 70 GLU HGy 1.0 . 3.31 640 560 A 71 ASN H A 70 GLU HGx 1.0 . 4.19 641 561 A 70 GLU H A 70 GLU HGx 1.0 . 4.91 642 562 A 70 GLU HA A 70 GLU HGx 1.0 . 3.75 643 563 A 84 LYS H A 84 LYS HBy 1.0 . 3.55 644 564 A 84 LYS H A 84 LYS HBx 1.0 . 3.75 645 565 A 84 LYS HBx A 84 LYS HE2 1.0 . 4.27 646 565 A 84 LYS HE3 A 84 LYS HBx 1.0 . 4.27 647 566 A 70 GLU HGx A 101 LYS HE2 1.0 . 5.06 648 566 A 101 LYS HE3 A 70 GLU HGx 1.0 . 5.06 649 567 A 52 ASN H A 84 LYS HBy 1.0 . 4.68 650 568 A 89 GLY HAx A 84 LYS HBy 1.0 . 4.92 651 569 A 89 GLY HAx A 84 LYS HBx 1.0 . 4.88 652 570 A 85 GLN HGy A 85 GLN HA 1.0 . 4.07 653 571 A 100 GLY H A 99 PRO HBy 1.0 . 3.62 654 572 A 8 SER H A 7 VAL HB 1.0 . 4.56 655 573 A 7 VAL H A 7 VAL HB 1.0 . 3.00 656 574 A 9 TYR HE% A 7 VAL HB 1.0 . 4.36 657 575 A 99 PRO HBx A 100 GLY H 1.0 . 4.07 658 576 A 98 GLN HGy A 99 PRO HDx 1.0 . 4.88 659 577 A 99 PRO HDx A 98 GLN HGx 1.0 . 4.87 660 578 A 100 GLY HAy A 101 LYS HBy 1.0 . 4.94 661 579 A 101 LYS H A 101 LYS HBy 1.0 . 3.34 662 580 A 102 THR H A 101 LYS HBy 1.0 . 4.36 663 581 A 101 LYS HBy A 101 LYS HE2 1.0 . 4.62 664 581 A 101 LYS HE3 A 101 LYS HBy 1.0 . 4.62 665 582 A 101 LYS HBx A 101 LYS HE2 1.0 . 5.02 666 582 A 101 LYS HE3 A 101 LYS HBx 1.0 . 5.02 667 583 A 23 TYR H A 22 GLU HGy 1.0 . 5.20 668 583 A 23 TYR H A 22 GLU HGx 1.0 . 5.20 669 584 A 26 ASP H A 26 ASP HBy 1.0 . 3.81 670 585 A 27 SER H A 26 ASP HBy 1.0 . 3.77 671 586 A 98 GLN H A 98 GLN HGx 1.0 . 5.43 672 587 A 26 ASP H A 26 ASP HBx 1.0 . 3.78 673 588 A 27 SER H A 26 ASP HBx 1.0 . 4.18 674 589 A 98 GLN HBy A 99 PRO HDx 1.0 . 4.15 675 590 A 23 TYR H A 22 GLU HB2 1.0 . 4.66 676 590 A 22 GLU HB3 A 23 TYR H 1.0 . 4.66 677 591 A 96 ILE HG2% A 22 GLU HB2 1.0 . 5.20 678 591 A 22 GLU HB3 A 96 ILE HG2% 1.0 . 5.20 679 592 A 102 THR H A 101 LYS HBx 1.0 . 4.23 680 593 A 90 LYS HBx A 89 GLY H 1.0 . 5.09 681 594 A 22 GLU H A 22 GLU HGy 1.0 . 4.28 682 594 A 22 GLU H A 22 GLU HGx 1.0 . 4.28 683 595 A 96 ILE HA A 22 GLU HGy 1.0 . 5.47 684 595 A 96 ILE HA A 22 GLU HGx 1.0 . 5.47 685 596 A 98 GLN HE2x A 98 GLN HBy 1.0 . 4.37 686 597 A 98 GLN HBy A 96 ILE HG2% 1.0 . 4.44 687 598 A 98 GLN HE2x A 98 GLN HBx 1.0 . 4.66 688 599 A 98 GLN HBx A 96 ILE HG2% 1.0 . 4.73 689 600 A 61 VAL H A 61 VAL HB 1.0 . 3.23 690 601 A 62 ASN H A 61 VAL HB 1.0 . 5.26 691 602 A 74 LYS HBy A 74 LYS HE2 1.0 . 4.53 692 602 A 74 LYS HE3 A 74 LYS HBy 1.0 . 4.53 693 603 A 34 LEU HG A 66 VAL HB 1.0 . 5.02 694 604 A 66 VAL H A 66 VAL HB 1.0 . 3.68 695 605 A 74 LYS H A 74 LYS HBx 1.0 . 3.28 696 606 A 91 THR HB A 92 LEU H 1.0 . 3.52 697 607 A 51 TRP HBy A 84 LYS H 1.0 . 5.24 698 608 A 51 TRP HBy A 83 LEU HBx 1.0 . 5.16 699 609 A 51 TRP HBy A 52 ASN H 1.0 . 4.11 700 610 A 51 TRP HBx A 84 LYS H 1.0 . 5.03 701 611 A 7 VAL H A 6 PRO HBy 1.0 . 3.86 702 612 A 7 VAL H A 6 PRO HBx 1.0 . 3.97 703 613 A 97 VAL H A 97 VAL HB 1.0 . 3.40 704 614 A 97 VAL HB A 23 TYR HA 1.0 . 4.37 705 615 A 21 THR HG2% A 97 VAL HB 1.0 . 4.28 706 616 A 98 GLN H A 97 VAL HB 1.0 . 5.16 707 617 A 76 ARG H A 76 ARG HBy 1.0 . 3.18 708 618 A 76 ARG HBy A 76 ARG HD2 1.0 . 3.70 709 618 A 76 ARG HD3 A 76 ARG HBy 1.0 . 3.70 710 619 A 77 ARG H A 76 ARG HBx 1.0 . 3.90 711 620 A 76 ARG H A 76 ARG HBx 1.0 . 3.13 712 621 A 76 ARG HBx A 76 ARG HD2 1.0 . 3.67 713 621 A 76 ARG HD3 A 76 ARG HBx 1.0 . 3.67 714 622 A 23 TYR HBy A 97 VAL HB 1.0 . 4.91 715 623 A 76 ARG H A 75 GLU HBx 1.0 . 3.83 716 624 A 76 ARG H A 75 GLU HBy 1.0 . 3.69 717 625 A 71 ASN H A 70 GLU HBy 1.0 . 4.23 718 626 A 70 GLU H A 70 GLU HBy 1.0 . 3.24 719 627 A 69 ASP HA A 70 GLU HBy 1.0 . 4.49 720 628 A 7 VAL HGx% A 40 LYS HDx 1.0 . 4.53 721 629 A 9 TYR HE% A 40 LYS HDx 1.0 . 4.67 722 630 A 46 THR H A 46 THR HB 1.0 . 4.04 723 631 A 47 LYS H A 46 THR HB 1.0 . 3.94 724 632 A 39 TYR HBx A 46 THR HB 1.0 . 4.57 725 633 A 20 HIS HBy A 13 TYR HE% 1.0 . 3.82 726 634 A 20 HIS HBy A 94 LEU HDy% 1.0 . 4.27 727 635 A 40 LYS HDy A 7 VAL HGx% 1.0 . 5.50 728 636 A 8 SER HBy A 41 LYS HD2 1.0 . 4.92 729 636 A 8 SER HBy A 41 LYS HD3 1.0 . 4.92 730 637 A 41 LYS HA A 41 LYS HD2 1.0 . 4.41 731 637 A 41 LYS HA A 41 LYS HD3 1.0 . 4.41 732 638 A 10 TYR HE% A 41 LYS HD2 1.0 . 4.73 733 638 A 41 LYS HD3 A 10 TYR HD% 1.0 . 4.73 734 638 A 10 TYR HD% A 41 LYS HD2 1.0 . 4.73 735 638 A 41 LYS HD3 A 10 TYR HE% 1.0 . 4.73 736 639 A 39 TYR HE% A 41 LYS HD2 1.0 . 3.61 737 639 A 39 TYR HE% A 41 LYS HD3 1.0 . 3.61 738 640 A 41 LYS HBy A 41 LYS HD2 1.0 . 3.35 739 640 A 41 LYS HBy A 41 LYS HD3 1.0 . 3.35 740 641 A 42 THR H A 41 LYS HD2 1.0 . 5.23 741 641 A 42 THR H A 41 LYS HD3 1.0 . 5.23 742 642 A 46 THR HG2% A 41 LYS HD2 1.0 . 4.05 743 642 A 46 THR HG2% A 41 LYS HD3 1.0 . 4.05 744 643 A 89 GLY HAx A 84 LYS HD2 1.0 . 4.25 745 643 A 84 LYS HD3 A 89 GLY HAx 1.0 . 4.25 746 644 A 72 PRO HA A 101 LYS HD2 1.0 . 3.92 747 644 A 72 PRO HA A 101 LYS HD3 1.0 . 3.92 748 645 A 101 LYS HA A 101 LYS HD2 1.0 . 4.20 749 645 A 101 LYS HA A 101 LYS HD3 1.0 . 4.20 750 646 A 84 LYS HA A 84 LYS HD2 1.0 . 4.72 751 646 A 84 LYS HA A 84 LYS HD3 1.0 . 4.72 752 647 A 77 ARG HA A 78 THR HB 1.0 . 4.67 753 648 A 79 GLY H A 78 THR HB 1.0 . 4.72 754 649 A 22 GLU H A 21 THR HB 1.0 . 4.85 755 650 A 74 LYS H A 74 LYS HD2 1.0 . 4.09 756 650 A 74 LYS H A 74 LYS HD3 1.0 . 4.09 757 651 A 74 LYS HA A 74 LYS HD2 1.0 . 4.33 758 651 A 74 LYS HA A 74 LYS HD3 1.0 . 4.33 759 652 A 74 LYS HGy A 74 LYS HD2 1.0 . 2.50 760 652 A 74 LYS HD3 A 74 LYS HGy 1.0 . 2.50 761 653 A 78 THR H A 78 THR HB 1.0 . 3.40 762 654 A 82 THR HB A 54 SER H 1.0 . 4.83 763 655 A 21 THR HB A 20 HIS HA 1.0 . 5.22 764 656 A 75 GLU H A 74 LYS HD2 1.0 . 5.15 765 656 A 75 GLU H A 74 LYS HD3 1.0 . 5.15 766 657 A 9 TYR HD% A 87 GLU HBy 1.0 . 5.09 767 658 A 87 GLU H A 87 GLU HBx 1.0 . 4.03 768 659 A 9 TYR HE% A 87 GLU HBx 1.0 . 4.03 769 660 A 74 LYS HGy A 102 THR HB 1.0 . 5.13 770 661 A 103 SER H A 102 THR HB 1.0 . 4.11 771 662 A 102 THR H A 102 THR HB 1.0 . 3.72 772 663 A 42 THR H A 42 THR HB 1.0 . 3.66 773 664 A 7 VAL HGx% A 42 THR HB 1.0 . 5.46 774 665 A 12 SER H A 37 THR HB 1.0 . 3.67 775 666 A 60 HIS HBy A 60 HIS H 1.0 . 3.79 776 667 A 60 HIS HBy A 67 SER HBy 1.0 . 4.15 777 667 A 60 HIS HBy A 67 SER HBx 1.0 . 4.15 778 668 A 58 TRP HBx A 69 ASP H 1.0 . 4.83 779 669 A 60 HIS HBx A 60 HIS H 1.0 . 3.84 780 670 A 60 HIS HBx A 67 SER HBy 1.0 . 4.61 781 670 A 60 HIS HBx A 67 SER HBx 1.0 . 4.61 782 671 A 83 LEU H A 83 LEU HG 1.0 . 3.70 783 672 A 83 LEU HA A 83 LEU HG 1.0 . 3.90 784 673 A 92 LEU HDx% A 83 LEU HG 1.0 . 5.07 785 674 A 85 GLN H A 85 GLN HBy 1.0 . 3.83 786 675 A 36 ILE HG1y A 92 LEU HDx% 1.0 . 5.50 787 676 A 85 GLN HBx A 84 LYS HA 1.0 . 4.55 788 677 A 85 GLN HBx A 85 GLN H 1.0 . 3.90 789 678 A 41 LYS HA A 42 THR HB 1.0 . 4.73 790 679 A 36 ILE HG2% A 37 THR HB 1.0 . 5.30 791 680 A 37 THR H A 37 THR HB 1.0 . 3.11 792 681 A 37 THR HB A 10 TYR HE% 1.0 . 4.69 793 681 A 37 THR HB A 10 TYR HD% 1.0 . 4.69 794 682 A 69 ASP HBx A 58 TRP HBy 1.0 . 3.75 795 683 A 69 ASP H A 58 TRP HBy 1.0 . 4.08 796 684 A 58 TRP HBx A 69 ASP HBx 1.0 . 4.20 797 685 A 13 TYR HA A 36 ILE HG1x 1.0 . 5.45 798 686 A 36 ILE HG1x A 92 LEU HDx% 1.0 . 4.95 799 687 A 95 LYS H A 94 LEU HG 1.0 . 5.01 800 688 A 94 LEU HA A 94 LEU HG 1.0 . 4.25 801 689 A 36 ILE HG1y A 34 LEU HBy 1.0 . 5.06 802 690 A 25 ASP HA A 99 PRO HGy 1.0 . 4.46 803 691 A 99 PRO HGy A 98 GLN HA 1.0 . 5.13 804 692 A 25 ASP H A 99 PRO HGx 1.0 . 4.88 805 693 A 80 LEU HG A 80 LEU HA 1.0 . 3.90 806 694 A 25 ASP HA A 99 PRO HGx 1.0 . 3.93 807 695 A 98 GLN HA A 99 PRO HGx 1.0 . 5.11 808 696 A 96 ILE HG2% A 24 PRO HGy 1.0 . 4.05 809 697 A 96 ILE HG2% A 24 PRO HGx 1.0 . 4.01 810 698 A 80 LEU HG A 81 VAL HA 1.0 . 4.74 811 699 A 34 LEU H A 33 ILE HG1y 1.0 . 5.43 812 700 A 33 ILE H A 33 ILE HG1y 1.0 . 3.85 813 701 A 33 ILE HA A 33 ILE HG1y 1.0 . 3.82 814 702 A 68 TYR HD% A 96 ILE HG1y 1.0 . 4.84 815 703 A 33 ILE H A 33 ILE HG1x 1.0 . 3.83 816 704 A 34 LEU H A 33 ILE HG1x 1.0 . 4.88 817 705 A 33 ILE HA A 33 ILE HG1x 1.0 . 3.76 818 706 A 22 GLU H A 96 ILE HG1x 1.0 . 4.95 819 707 A 7 VAL H A 6 PRO HG2 1.0 . 4.65 820 707 A 7 VAL H A 6 PRO HG3 1.0 . 4.65 821 708 A 5 SER HA A 6 PRO HG2 1.0 . 4.22 822 708 A 6 PRO HG3 A 5 SER HA 1.0 . 4.22 823 709 A 7 VAL HGy% A 6 PRO HG2 1.0 . 5.12 824 709 A 6 PRO HG3 A 7 VAL HGy% 1.0 . 5.12 825 710 A 96 ILE HG2% A 96 ILE HG1y 1.0 . 4.15 826 711 A 96 ILE H A 96 ILE HG1y 1.0 . 4.45 827 712 A 59 ILE HD1% A 96 ILE HG1y 1.0 . 4.79 828 713 A 96 ILE HG2% A 96 ILE HG1x 1.0 . 4.06 829 714 A 59 ILE HD1% A 96 ILE HG1x 1.0 . 5.02 830 715 A 96 ILE H A 96 ILE HG1x 1.0 . 4.65 831 716 A 96 ILE HA A 96 ILE HG1x 1.0 . 3.98 832 717 A 50 SER H A 49 LEU HG 1.0 . 5.06 833 718 A 59 ILE HG1y A 58 TRP HE3 1.0 . 4.94 834 719 A 59 ILE HG1y A 58 TRP HZ3 1.0 . 5.50 835 720 A 59 ILE H A 59 ILE HG1x 1.0 . 4.65 836 721 A 68 TYR HBx A 59 ILE HG1x 1.0 . 5.31 837 722 A 49 LEU H A 49 LEU HG 1.0 . 4.42 838 723 A 49 LEU HG A 49 LEU HA 1.0 . 4.25 839 724 A 85 GLN HGy A 49 LEU HG 1.0 . 4.48 840 725 A 49 LEU HG A 86 ASP HB2 1.0 . 4.58 841 725 A 86 ASP HB3 A 49 LEU HG 1.0 . 4.58 842 726 A 104 ILE H A 104 ILE HG1x 1.0 . 4.40 843 727 A 40 LYS H A 49 LEU HDy% 1.0 . 4.33 844 728 A 85 GLN HE2y A 49 LEU HDy% 1.0 . 4.53 845 729 A 49 LEU H A 49 LEU HDy% 1.0 . 4.68 846 730 A 49 LEU HDy% A 9 TYR HD% 1.0 . 3.40 847 731 A 49 LEU HDy% A 39 TYR HA 1.0 . 3.92 848 732 A 49 LEU HDy% A 49 LEU HA 1.0 . 4.34 849 733 A 85 GLN HGy A 49 LEU HDy% 1.0 . 3.82 850 734 A 49 LEU HDy% A 87 GLU HBy 1.0 . 4.03 851 735 A 49 LEU HDy% A 87 GLU HG2 1.0 . 4.86 852 735 A 49 LEU HDy% A 87 GLU HG3 1.0 . 4.86 853 736 A 60 HIS H A 59 ILE HG1x 1.0 . 5.31 854 737 A 9 TYR HD% A 49 LEU HG 1.0 . 5.13 855 738 A 34 LEU H A 34 LEU HG 1.0 . 4.05 856 739 A 36 ILE HD1% A 34 LEU HG 1.0 . 5.30 857 740 A 76 ARG H A 76 ARG HGx 1.0 . 3.94 858 740 A 76 ARG H A 76 ARG HGy 1.0 . 3.94 859 741 A 76 ARG HA A 76 ARG HGx 1.0 . 3.99 860 741 A 76 ARG HA A 76 ARG HGy 1.0 . 3.99 861 742 A 94 LEU HDx% A 94 LEU HA 1.0 . 4.29 862 743 A 94 LEU HDx% A 66 VAL HGy% 1.0 . 3.19 863 744 A 77 ARG H A 76 ARG HGx 1.0 . 4.14 864 744 A 77 ARG H A 76 ARG HGy 1.0 . 4.14 865 745 A 77 ARG HA A 76 ARG HGx 1.0 . 5.21 866 745 A 77 ARG HA A 76 ARG HGy 1.0 . 5.21 867 746 A 90 LYS H A 90 LYS HGy 1.0 . 3.79 868 747 A 90 LYS HA A 90 LYS HGx 1.0 . 3.87 869 748 A 90 LYS H A 90 LYS HGx 1.0 . 3.85 870 749 A 34 LEU HDx% A 34 LEU HA 1.0 . 4.21 871 750 A 34 LEU H A 34 LEU HDx% 1.0 . 4.00 872 751 A 13 TYR HE% A 34 LEU HDx% 1.0 . 4.02 873 752 A 73 ALA H A 72 PRO HGy 1.0 . 4.40 874 753 A 73 ALA H A 72 PRO HGx 1.0 . 4.36 875 754 A 66 VAL HGx% A 31 SER HBx 1.0 . 5.50 876 754 A 66 VAL HGx% A 31 SER HBy 1.0 . 5.50 877 755 A 95 LYS HA A 95 LYS HGx 1.0 . 4.19 878 756 A 51 TRP HBx A 83 LEU HDy% 1.0 . 5.42 879 757 A 83 LEU HDy% A 51 TRP HE1 1.0 . 4.09 880 758 A 83 LEU HDy% A 54 SER H 1.0 . 4.96 881 759 A 83 LEU HDy% A 51 TRP HD1 1.0 . 4.18 882 760 A 53 ALA HA A 83 LEU HDy% 1.0 . 4.07 883 761 A 83 LEU HDy% A 83 LEU HA 1.0 . 3.56 884 762 A 53 ALA HB% A 83 LEU HDy% 1.0 . 3.40 885 763 A 83 LEU HDy% A 92 LEU HBx 1.0 . 3.12 886 764 A 21 THR HG2% A 95 LYS HGy 1.0 . 5.38 887 765 A 96 ILE H A 95 LYS HGx 1.0 . 4.40 888 766 A 21 THR HG2% A 95 LYS HGx 1.0 . 4.31 889 767 A 67 SER H A 67 SER HBy 1.0 . 3.61 890 767 A 67 SER H A 67 SER HBx 1.0 . 3.61 891 768 A 31 SER HA A 67 SER HBy 1.0 . 3.58 892 768 A 31 SER HA A 67 SER HBx 1.0 . 3.58 893 769 A 13 TYR H A 12 SER HBx 1.0 . 4.33 894 770 A 74 LYS H A 74 LYS HGy 1.0 . 3.54 895 771 A 74 LYS HGy A 74 LYS HE2 1.0 . 3.79 896 771 A 74 LYS HE3 A 74 LYS HGy 1.0 . 3.79 897 772 A 75 GLU H A 74 LYS HGx 1.0 . 4.57 898 773 A 74 LYS HGx A 74 LYS HD2 1.0 . 2.99 899 773 A 74 LYS HD3 A 74 LYS HGx 1.0 . 2.99 900 774 A 74 LYS H A 74 LYS HGx 1.0 . 3.62 901 775 A 95 LYS HGx A 80 LEU HDy% 1.0 . 4.17 902 775 A 80 LEU HDx% A 95 LYS HGx 1.0 . 4.17 903 776 A 95 LYS H A 95 LYS HGx 1.0 . 5.05 904 777 A 95 LYS HA A 80 LEU HDy% 1.0 . 3.96 905 777 A 95 LYS HA A 80 LEU HDx% 1.0 . 3.96 906 778 A 80 LEU HA A 80 LEU HDy% 1.0 . 3.64 907 778 A 80 LEU HDx% A 80 LEU HA 1.0 . 3.64 908 779 A 30 GLY H A 67 SER HBy 1.0 . 5.42 909 779 A 30 GLY H A 67 SER HBx 1.0 . 5.42 910 780 A 74 LYS HA A 74 LYS HGx 1.0 . 3.53 911 781 A 41 LYS HGx A 39 TYR HE% 1.0 . 4.62 912 782 A 41 LYS HGx A 41 LYS HA 1.0 . 3.71 913 783 A 77 ARG H A 77 ARG HGy 1.0 . 5.32 914 784 A 81 VAL H A 80 LEU HDy% 1.0 . 3.99 915 784 A 81 VAL H A 80 LEU HDx% 1.0 . 3.99 916 785 A 93 SER HBy A 80 LEU HDy% 1.0 . 4.14 917 785 A 80 LEU HDx% A 93 SER HBy 1.0 . 4.14 918 786 A 80 LEU HDy% A 95 LYS HEy 1.0 . 4.00 919 786 A 80 LEU HDx% A 95 LYS HEy 1.0 . 4.00 920 786 A 95 LYS HEx A 80 LEU HDy% 1.0 . 4.00 921 786 A 80 LEU HDx% A 95 LYS HEx 1.0 . 4.00 922 787 A 101 LYS HGy A 101 LYS HE2 1.0 . 3.82 923 787 A 101 LYS HE3 A 101 LYS HGy 1.0 . 3.82 924 788 A 71 ASN HD2y A 77 ARG HGy 1.0 . 4.83 925 789 A 71 ASN HD2y A 77 ARG HGx 1.0 . 5.30 926 790 A 54 SER HA A 54 SER HBy 1.0 . 2.92 927 791 A 54 SER HA A 54 SER HBx 1.0 . 2.95 928 792 A 8 SER HBy A 10 TYR HE% 1.0 . 4.23 929 792 A 8 SER HBy A 10 TYR HD% 1.0 . 4.23 930 793 A 8 SER HBx A 10 TYR HE% 1.0 . 4.29 931 793 A 8 SER HBx A 10 TYR HD% 1.0 . 4.29 932 794 A 48 ALA H A 47 LYS HGy 1.0 . 3.76 933 794 A 48 ALA H A 47 LYS HGx 1.0 . 3.76 934 795 A 47 LYS HA A 47 LYS HGy 1.0 . 3.62 935 795 A 47 LYS HGx A 47 LYS HA 1.0 . 3.62 936 796 A 47 LYS HBx A 47 LYS HGy 1.0 . 2.40 937 796 A 47 LYS HBy A 47 LYS HGy 1.0 . 2.40 938 796 A 47 LYS HGx A 47 LYS HBx 1.0 . 2.40 939 796 A 47 LYS HBy A 47 LYS HGx 1.0 . 2.40 940 797 A 101 LYS H A 101 LYS HGx 1.0 . 4.53 941 798 A 101 LYS HGx A 101 LYS HA 1.0 . 3.86 942 799 A 101 LYS HGx A 101 LYS HE2 1.0 . 3.78 943 799 A 101 LYS HGx A 101 LYS HE3 1.0 . 3.78 944 800 A 93 SER H A 93 SER HBx 1.0 . 3.39 945 801 A 19 SER H A 19 SER HBx 1.0 . 3.81 946 802 A 20 HIS H A 19 SER HBx 1.0 . 4.32 947 803 A 41 LYS H A 8 SER HBx 1.0 . 4.83 948 804 A 89 GLY H A 84 LYS HG2 1.0 . 4.42 949 804 A 89 GLY H A 84 LYS HG3 1.0 . 4.42 950 805 A 85 GLN H A 84 LYS HG2 1.0 . 4.04 951 805 A 85 GLN H A 84 LYS HG3 1.0 . 4.04 952 806 A 91 THR HA A 84 LYS HG2 1.0 . 4.87 953 806 A 84 LYS HG3 A 91 THR HA 1.0 . 4.87 954 807 A 94 LEU H A 93 SER HBy 1.0 . 4.24 955 808 A 93 SER HBx A 80 LEU HDy% 1.0 . 4.31 956 808 A 80 LEU HDx% A 93 SER HBx 1.0 . 4.31 957 809 A 94 LEU H A 93 SER HBx 1.0 . 4.22 958 810 A 20 HIS H A 93 SER HBx 1.0 . 4.44 959 811 A 13 TYR HE% A 19 SER HBy 1.0 . 5.14 960 812 A 46 THR H A 45 SER HBx 1.0 . 3.69 961 813 A 40 LYS H A 40 LYS HGx 1.0 . 4.29 962 814 A 40 LYS HGx A 40 LYS HE2 1.0 . 4.13 963 814 A 40 LYS HE3 A 40 LYS HGx 1.0 . 4.13 964 815 A 50 SER H A 49 LEU HDx% 1.0 . 3.50 965 816 A 49 LEU H A 49 LEU HDx% 1.0 . 4.37 966 817 A 9 TYR HD% A 49 LEU HDx% 1.0 . 5.42 967 818 A 9 TYR HE% A 49 LEU HDx% 1.0 . 4.30 968 819 A 39 TYR HA A 49 LEU HDx% 1.0 . 4.97 969 820 A 49 LEU HDx% A 49 LEU HA 1.0 . 2.80 970 821 A 53 ALA HB% A 51 TRP HD1 1.0 . 4.66 971 822 A 94 LEU H A 94 LEU HDy% 1.0 . 5.35 972 823 A 95 LYS H A 94 LEU HDy% 1.0 . 3.26 973 824 A 22 GLU H A 94 LEU HDy% 1.0 . 4.40 974 825 A 20 HIS H A 94 LEU HDy% 1.0 . 4.58 975 826 A 94 LEU HDy% A 68 TYR HD% 1.0 . 3.35 976 827 A 94 LEU HA A 94 LEU HDy% 1.0 . 3.15 977 828 A 59 ILE HD1% A 94 LEU HDy% 1.0 . 5.50 978 829 A 34 LEU H A 34 LEU HDy% 1.0 . 4.36 979 830 A 35 ASP H A 34 LEU HDy% 1.0 . 3.78 980 831 A 13 TYR HE% A 34 LEU HDy% 1.0 . 3.37 981 832 A 34 LEU HDy% A 34 LEU HA 1.0 . 3.05 982 833 A 53 ALA HB% A 53 ALA H 1.0 . 3.19 983 834 A 53 ALA HB% A 54 SER H 1.0 . 3.50 984 835 A 53 ALA HB% A 61 VAL HB 1.0 . 3.12 985 836 A 53 ALA HB% A 61 VAL HGy% 1.0 . 3.05 986 837 A 34 LEU HDy% A 36 ILE HD1% 1.0 . 4.15 987 838 A 92 LEU HDy% A 92 LEU H 1.0 . 4.85 988 839 A 93 SER H A 92 LEU HDy% 1.0 . 4.15 989 840 A 13 TYR HE% A 92 LEU HDy% 1.0 . 4.06 990 841 A 92 LEU HDy% A 92 LEU HA 1.0 . 2.71 991 842 A 92 LEU HDy% A 12 SER HA 1.0 . 3.10 992 843 A 92 LEU HDy% A 12 SER HBy 1.0 . 4.38 993 844 A 28 SER H A 28 SER HBy 1.0 . 3.97 994 844 A 28 SER H A 28 SER HBx 1.0 . 3.97 995 845 A 29 ALA H A 28 SER HBy 1.0 . 3.67 996 845 A 29 ALA H A 28 SER HBx 1.0 . 3.67 997 846 A 92 LEU H A 92 LEU HDx% 1.0 . 4.14 998 847 A 13 TYR H A 92 LEU HDx% 1.0 . 4.81 999 848 A 92 LEU HDx% A 92 LEU HA 1.0 . 4.10 1000 849 A 92 LEU HBx A 92 LEU HDx% 1.0 . 3.21 1001 850 A 83 LEU HDx% A 92 LEU HDx% 1.0 . 3.36 1002 851 A 29 ALA HB% A 28 SER HBy 1.0 . 5.50 1003 851 A 29 ALA HB% A 28 SER HBx 1.0 . 5.50 1004 852 A 38 SER H A 38 SER HBy 1.0 . 3.94 1005 853 A 81 VAL HGy% A 82 THR H 1.0 . 3.53 1006 854 A 81 VAL HGy% A 54 SER H 1.0 . 3.66 1007 855 A 81 VAL HGy% A 53 ALA HA 1.0 . 3.99 1008 856 A 81 VAL HGy% A 81 VAL HA 1.0 . 3.35 1009 857 A 59 ILE HD1% A 81 VAL HGy% 1.0 . 3.86 1010 858 A 64 SER HBy A 33 ILE HG2% 1.0 . 5.19 1011 859 A 65 SER H A 64 SER HBx 1.0 . 4.71 1012 860 A 57 SER H A 57 SER HBy 1.0 . 4.14 1013 861 A 57 SER H A 57 SER HBx 1.0 . 3.95 1014 862 A 62 ASN HBy A 65 SER HBy 1.0 . 4.55 1015 863 A 66 VAL H A 65 SER HBy 1.0 . 4.74 1016 864 A 65 SER H A 65 SER HBy 1.0 . 3.91 1017 865 A 62 ASN HBx A 65 SER HBy 1.0 . 4.93 1018 866 A 50 SER H A 50 SER HBy 1.0 . 3.83 1019 867 A 4 GLY H A 5 SER HB2 1.0 . 5.13 1020 867 A 5 SER HB3 A 4 GLY H 1.0 . 5.13 1021 868 A 51 TRP H A 50 SER HBy 1.0 . 3.32 1022 869 A 50 SER HBy A 86 ASP HB2 1.0 . 4.87 1023 869 A 86 ASP HB3 A 50 SER HBy 1.0 . 4.87 1024 870 A 50 SER H A 50 SER HBx 1.0 . 3.50 1025 871 A 50 SER HBx A 86 ASP HB2 1.0 . 4.68 1026 871 A 86 ASP HB3 A 50 SER HBx 1.0 . 4.68 1027 872 A 37 THR HG2% A 38 SER H 1.0 . 3.34 1028 873 A 37 THR HG2% A 10 TYR HE% 1.0 . 4.06 1029 873 A 37 THR HG2% A 10 TYR HD% 1.0 . 4.06 1030 874 A 37 THR HG2% A 38 SER HA 1.0 . 4.96 1031 875 A 37 THR HG2% A 37 THR HA 1.0 . 3.21 1032 876 A 10 TYR HBy A 37 THR HG2% 1.0 . 3.98 1033 877 A 37 THR HG2% A 36 ILE HG2% 1.0 . 5.50 1034 878 A 67 SER H A 66 VAL HGy% 1.0 . 3.38 1035 879 A 66 VAL H A 66 VAL HGy% 1.0 . 4.36 1036 880 A 66 VAL HGy% A 32 PHE HE% 1.0 . 3.48 1037 881 A 66 VAL HGy% A 68 TYR HA 1.0 . 5.50 1038 882 A 31 SER HA A 66 VAL HGy% 1.0 . 5.50 1039 883 A 66 VAL HA A 66 VAL HGy% 1.0 . 3.26 1040 884 A 61 VAL HA A 66 VAL HGy% 1.0 . 4.18 1041 885 A 66 VAL HGy% A 94 LEU HG 1.0 . 5.50 1042 886 A 7 VAL H A 6 PRO HA 1.0 . 2.63 1043 887 A 54 SER H A 81 VAL HGx% 1.0 . 4.89 1044 888 A 82 THR H A 81 VAL HGx% 1.0 . 4.02 1045 889 A 56 ASP H A 81 VAL HGx% 1.0 . 4.12 1046 890 A 81 VAL HA A 81 VAL HGx% 1.0 . 3.33 1047 891 A 27 SER H A 27 SER HB2 1.0 . 2.92 1048 891 A 27 SER H A 27 SER HB3 1.0 . 2.92 1049 892 A 99 PRO HA A 100 GLY HAx 1.0 . 4.34 1050 893 A 81 VAL H A 81 VAL HGx% 1.0 . 3.39 1051 894 A 59 ILE H A 81 VAL HGx% 1.0 . 5.02 1052 895 A 59 ILE HD1% A 81 VAL HGx% 1.0 . 3.28 1053 896 A 61 VAL H A 61 VAL HGy% 1.0 . 3.31 1054 897 A 61 VAL HGy% A 61 VAL HA 1.0 . 3.30 1055 898 A 101 LYS H A 73 ALA HB% 1.0 . 5.50 1056 899 A 74 LYS H A 73 ALA HB% 1.0 . 2.84 1057 900 A 73 ALA HB% A 72 PRO HDx 1.0 . 4.44 1058 901 A 73 ALA HB% A 75 GLU HBx 1.0 . 3.42 1059 902 A 73 ALA HB% A 102 THR HG2% 1.0 . 4.41 1060 903 A 71 ASN HD2x A 73 ALA HB% 1.0 . 5.50 1061 904 A 103 SER H A 102 THR HG2% 1.0 . 4.36 1062 905 A 74 LYS HGy A 102 THR HG2% 1.0 . 3.03 1063 906 A 78 THR HG2% A 95 LYS HEy 1.0 . 3.80 1064 906 A 78 THR HG2% A 95 LYS HEx 1.0 . 3.80 1065 907 A 78 THR HG2% A 95 LYS HB2 1.0 . 4.65 1066 907 A 78 THR HG2% A 95 LYS HB3 1.0 . 4.65 1067 908 A 46 THR HG2% A 40 LYS H 1.0 . 4.71 1068 909 A 46 THR HG2% A 46 THR H 1.0 . 3.51 1069 910 A 46 THR HG2% A 39 TYR HE% 1.0 . 3.59 1070 911 A 46 THR HG2% A 46 THR HA 1.0 . 3.07 1071 912 A 46 THR HG2% A 41 LYS HA 1.0 . 3.48 1072 913 A 46 THR HG2% A 41 LYS HE2 1.0 . 3.72 1073 913 A 46 THR HG2% A 41 LYS HE3 1.0 . 3.72 1074 914 A 66 VAL HGx% A 67 SER H 1.0 . 4.35 1075 915 A 66 VAL H A 66 VAL HGx% 1.0 . 3.57 1076 916 A 65 SER H A 66 VAL HGx% 1.0 . 5.50 1077 917 A 66 VAL HGx% A 32 PHE HE% 1.0 . 4.26 1078 918 A 66 VAL HA A 66 VAL HGx% 1.0 . 3.29 1079 919 A 65 SER HBx A 66 VAL HGx% 1.0 . 5.50 1080 920 A 66 VAL HGx% A 34 LEU HG 1.0 . 3.55 1081 921 A 95 LYS H A 21 THR HG2% 1.0 . 5.35 1082 922 A 22 GLU H A 21 THR HG2% 1.0 . 3.46 1083 923 A 97 VAL H A 21 THR HG2% 1.0 . 3.88 1084 924 A 21 THR HG2% A 21 THR HA 1.0 . 3.18 1085 925 A 96 ILE HA A 21 THR HG2% 1.0 . 5.11 1086 926 A 21 THR HG2% A 95 LYS HB2 1.0 . 3.48 1087 926 A 21 THR HG2% A 95 LYS HB3 1.0 . 3.48 1088 927 A 21 THR HG2% A 97 VAL HGx% 1.0 . 3.06 1089 928 A 9 TYR HE% A 88 SER HBy 1.0 . 5.06 1090 929 A 88 SER HBy A 9 TYR HD% 1.0 . 4.57 1091 930 A 88 SER HBy A 85 GLN HBy 1.0 . 3.76 1092 931 A 88 SER H A 88 SER HBx 1.0 . 3.95 1093 932 A 85 GLN HBy A 88 SER HBx 1.0 . 4.30 1094 933 A 90 LYS H A 88 SER HBx 1.0 . 5.37 1095 934 A 18 THR H A 18 THR HG2% 1.0 . 3.53 1096 935 A 92 LEU HDy% A 18 THR HG2% 1.0 . 3.54 1097 936 A 19 SER H A 18 THR HG2% 1.0 . 4.44 1098 937 A 92 LEU HDx% A 18 THR HG2% 1.0 . 5.10 1099 938 A 91 THR HB A 82 THR HG2% 1.0 . 2.99 1100 939 A 78 THR HG2% A 79 GLY H 1.0 . 3.58 1101 940 A 78 THR HA A 78 THR HG2% 1.0 . 3.25 1102 941 A 8 SER H A 7 VAL HGy% 1.0 . 4.48 1103 942 A 7 VAL H A 7 VAL HGy% 1.0 . 3.34 1104 943 A 9 TYR HE% A 7 VAL HGy% 1.0 . 5.02 1105 944 A 7 VAL HGy% A 7 VAL HA 1.0 . 3.19 1106 945 A 7 VAL HGy% A 40 LYS HE2 1.0 . 4.55 1107 945 A 40 LYS HE3 A 7 VAL HGy% 1.0 . 4.55 1108 946 A 42 THR HG2% A 7 VAL HGy% 1.0 . 4.06 1109 947 A 42 THR HB A 7 VAL HGy% 1.0 . 4.91 1110 948 A 21 THR HG2% A 95 LYS HEy 1.0 . 4.59 1111 948 A 21 THR HG2% A 95 LYS HEx 1.0 . 4.59 1112 949 A 13 TYR H A 18 THR HG2% 1.0 . 5.50 1113 950 A 13 TYR HD% A 18 THR HG2% 1.0 . 5.50 1114 951 A 18 THR HG2% A 12 SER HBy 1.0 . 4.28 1115 952 A 18 THR HG2% A 12 SER HBx 1.0 . 4.39 1116 953 A 83 LEU H A 82 THR HG2% 1.0 . 3.46 1117 954 A 82 THR H A 82 THR HG2% 1.0 . 3.94 1118 955 A 92 LEU H A 82 THR HG2% 1.0 . 3.91 1119 956 A 91 THR HA A 82 THR HG2% 1.0 . 3.97 1120 957 A 83 LEU HA A 82 THR HG2% 1.0 . 3.89 1121 958 A 82 THR HG2% A 82 THR HA 1.0 . 3.13 1122 959 A 91 THR H A 91 THR HG2% 1.0 . 3.53 1123 960 A 91 THR HA A 91 THR HG2% 1.0 . 3.15 1124 961 A 84 LYS HA A 91 THR HG2% 1.0 . 3.41 1125 962 A 85 GLN H A 91 THR HG2% 1.0 . 4.85 1126 963 A 91 THR HG2% A 84 LYS HE2 1.0 . 4.25 1127 963 A 84 LYS HE3 A 91 THR HG2% 1.0 . 4.25 1128 964 A 41 LYS H A 7 VAL HGx% 1.0 . 4.35 1129 965 A 8 SER H A 7 VAL HGx% 1.0 . 3.47 1130 966 A 7 VAL H A 7 VAL HGx% 1.0 . 3.78 1131 967 A 40 LYS HA A 7 VAL HGx% 1.0 . 4.49 1132 968 A 7 VAL HGx% A 7 VAL HA 1.0 . 3.19 1133 969 A 8 SER HBy A 7 VAL HGx% 1.0 . 4.76 1134 970 A 7 VAL HGx% A 40 LYS HE2 1.0 . 4.29 1135 970 A 40 LYS HE3 A 7 VAL HGx% 1.0 . 4.29 1136 971 A 40 LYS HBx A 7 VAL HGx% 1.0 . 3.83 1137 972 A 66 VAL HA A 61 VAL HA 1.0 . 3.44 1138 973 A 61 VAL HGx% A 51 TRP HE1 1.0 . 3.48 1139 974 A 62 ASN H A 61 VAL HGx% 1.0 . 3.34 1140 975 A 61 VAL HGx% A 51 TRP HD1 1.0 . 4.10 1141 976 A 66 VAL HA A 61 VAL HGx% 1.0 . 4.30 1142 977 A 61 VAL HGx% A 61 VAL HA 1.0 . 3.11 1143 978 A 53 ALA HB% A 61 VAL HGx% 1.0 . 3.41 1144 979 A 62 ASN H A 61 VAL HA 1.0 . 2.84 1145 980 A 37 THR HA A 38 SER H 1.0 . 2.70 1146 981 A 65 SER H A 61 VAL HGx% 1.0 . 5.50 1147 982 A 42 THR HG2% A 40 LYS HE2 1.0 . 5.08 1148 982 A 42 THR HG2% A 40 LYS HE3 1.0 . 5.08 1149 983 A 42 THR HG2% A 7 VAL HGx% 1.0 . 4.46 1150 984 A 83 LEU H A 82 THR HA 1.0 . 2.79 1151 985 A 87 GLU HA A 87 GLU HG2 1.0 . 3.02 1152 985 A 87 GLU HG3 A 87 GLU HA 1.0 . 3.02 1153 986 A 42 THR H A 42 THR HG2% 1.0 . 4.00 1154 987 A 42 THR HG2% A 42 THR HA 1.0 . 3.19 1155 988 A 78 THR HA A 79 GLY H 1.0 . 2.90 1156 989 A 78 THR HA A 97 VAL HA 1.0 . 3.32 1157 990 A 41 LYS H A 7 VAL HA 1.0 . 4.65 1158 991 A 42 THR HG2% A 7 VAL HA 1.0 . 5.08 1159 992 A 97 VAL H A 97 VAL HGy% 1.0 . 4.22 1160 993 A 77 ARG H A 97 VAL HGy% 1.0 . 5.42 1161 994 A 98 GLN H A 97 VAL HA 1.0 . 2.95 1162 995 A 8 SER H A 7 VAL HA 1.0 . 2.68 1163 996 A 98 GLN H A 97 VAL HGy% 1.0 . 3.90 1164 997 A 97 VAL HGy% A 23 TYR HE% 1.0 . 4.09 1165 998 A 78 THR HA A 97 VAL HGy% 1.0 . 4.52 1166 999 A 97 VAL HGy% A 97 VAL HA 1.0 . 3.30 1167 1000 A 97 VAL HGy% A 76 ARG HGx 1.0 . 3.72 1168 1000 A 76 ARG HGy A 97 VAL HGy% 1.0 . 3.72 1169 1001 A 105 ASP H A 104 ILE HA 1.0 . 3.21 1170 1002 A 68 TYR HBx A 59 ILE HA 1.0 . 4.96 1171 1003 A 69 ASP H A 59 ILE HA 1.0 . 4.30 1172 1004 A 58 TRP HE3 A 59 ILE HA 1.0 . 5.13 1173 1005 A 60 HIS H A 59 ILE HA 1.0 . 3.07 1174 1006 A 97 VAL HGx% A 76 ARG HD2 1.0 . 4.85 1175 1006 A 76 ARG HD3 A 97 VAL HGx% 1.0 . 4.85 1176 1007 A 98 GLN H A 97 VAL HGx% 1.0 . 4.49 1177 1008 A 97 VAL H A 97 VAL HGx% 1.0 . 3.51 1178 1009 A 97 VAL HGx% A 97 VAL HA 1.0 . 3.35 1179 1010 A 78 THR HG2% A 97 VAL HGx% 1.0 . 3.26 1180 1011 A 97 VAL HGx% A 23 TYR HD% 1.0 . 4.40 1181 1012 A 78 THR HA A 97 VAL HGx% 1.0 . 4.21 1182 1013 A 18 THR HG2% A 18 THR HA 1.0 . 3.30 1183 1014 A 92 LEU HDy% A 18 THR HA 1.0 . 3.30 1184 1015 A 78 THR HB A 97 VAL HGx% 1.0 . 4.94 1185 1016 A 94 LEU HDy% A 21 THR HA 1.0 . 4.33 1186 1017 A 95 LYS H A 21 THR HA 1.0 . 3.58 1187 1018 A 22 GLU H A 21 THR HA 1.0 . 2.90 1188 1019 A 21 THR HA A 95 LYS HB2 1.0 . 3.53 1189 1019 A 95 LYS HB3 A 21 THR HA 1.0 . 3.53 1190 1020 A 66 VAL HA A 67 SER H 1.0 . 2.73 1191 1021 A 29 ALA H A 29 ALA HB% 1.0 . 2.80 1192 1022 A 30 GLY H A 29 ALA HB% 1.0 . 3.28 1193 1023 A 69 ASP HA A 29 ALA HB% 1.0 . 3.36 1194 1024 A 29 ALA HB% A 70 GLU HBy 1.0 . 3.44 1195 1025 A 40 LYS H A 46 THR HA 1.0 . 5.01 1196 1026 A 39 TYR HD% A 46 THR HA 1.0 . 4.44 1197 1027 A 46 THR HA A 41 LYS HA 1.0 . 3.34 1198 1028 A 46 THR HA A 45 SER HA 1.0 . 4.48 1199 1029 A 47 LYS H A 46 THR HA 1.0 . 2.76 1200 1030 A 13 TYR HD% A 13 TYR HA 1.0 . 3.38 1201 1031 A 14 ALA H A 36 ILE HA 1.0 . 4.00 1202 1032 A 13 TYR HD% A 36 ILE HA 1.0 . 4.73 1203 1033 A 13 TYR HA A 36 ILE HA 1.0 . 3.48 1204 1034 A 36 ILE HG1x A 36 ILE HA 1.0 . 4.12 1205 1035 A 48 ALA H A 48 ALA HB% 1.0 . 2.59 1206 1036 A 49 LEU H A 48 ALA HB% 1.0 . 3.38 1207 1037 A 39 TYR HA A 48 ALA HB% 1.0 . 4.17 1208 1038 A 39 TYR HBy A 48 ALA HB% 1.0 . 4.50 1209 1039 A 14 ALA H A 13 TYR HA 1.0 . 3.47 1210 1040 A 96 ILE HA A 22 GLU HB2 1.0 . 3.97 1211 1040 A 96 ILE HA A 22 GLU HB3 1.0 . 3.97 1212 1041 A 43 GLY H A 42 THR HA 1.0 . 3.33 1213 1042 A 96 ILE HA A 96 ILE HG1y 1.0 . 3.83 1214 1043 A 97 VAL H A 96 ILE HA 1.0 . 2.90 1215 1044 A 90 LYS HBy A 91 THR HA 1.0 . 5.13 1216 1045 A 59 ILE HG2% A 94 LEU HG 1.0 . 5.30 1217 1046 A 83 LEU H A 91 THR HA 1.0 . 5.07 1218 1047 A 92 LEU H A 91 THR HA 1.0 . 2.90 1219 1048 A 91 THR HA A 92 LEU HA 1.0 . 4.47 1220 1049 A 28 SER HA A 28 SER HBy 1.0 . 2.82 1221 1049 A 28 SER HBx A 28 SER HA 1.0 . 2.82 1222 1050 A 29 ALA HB% A 28 SER HA 1.0 . 5.09 1223 1051 A 29 ALA H A 28 SER HA 1.0 . 2.82 1224 1052 A 16 GLY H A 14 ALA HB% 1.0 . 5.50 1225 1053 A 35 ASP HBx A 14 ALA HB% 1.0 . 3.86 1226 1054 A 14 ALA H A 14 ALA HB% 1.0 . 3.03 1227 1055 A 15 ASP H A 14 ALA HB% 1.0 . 3.70 1228 1056 A 13 TYR HA A 14 ALA HB% 1.0 . 4.71 1229 1057 A 35 ASP HBy A 14 ALA HB% 1.0 . 3.32 1230 1058 A 81 VAL HB A 59 ILE HG2% 1.0 . 5.17 1231 1059 A 60 HIS H A 59 ILE HG2% 1.0 . 3.47 1232 1060 A 67 SER H A 59 ILE HG2% 1.0 . 4.88 1233 1061 A 59 ILE HG2% A 68 TYR HA 1.0 . 4.57 1234 1062 A 59 ILE HG2% A 59 ILE HA 1.0 . 3.34 1235 1063 A 59 ILE HG2% A 81 VAL HGx% 1.0 . 2.87 1236 1064 A 59 ILE HG2% A 59 ILE HG1x 1.0 . 3.51 1237 1065 A 59 ILE HD1% A 59 ILE HG2% 1.0 . 3.37 1238 1066 A 33 ILE HA A 34 LEU H 1.0 . 3.01 1239 1067 A 33 ILE HA A 65 SER HA 1.0 . 3.37 1240 1068 A 59 ILE HG2% A 96 ILE HG1y 1.0 . 5.27 1241 1069 A 87 GLU HBy A 88 SER HA 1.0 . 5.27 1242 1070 A 9 TYR HD% A 88 SER HA 1.0 . 5.30 1243 1071 A 85 GLN HBy A 88 SER HA 1.0 . 4.48 1244 1072 A 34 LEU H A 33 ILE HG2% 1.0 . 3.48 1245 1073 A 33 ILE H A 33 ILE HG2% 1.0 . 3.98 1246 1074 A 33 ILE HA A 33 ILE HG2% 1.0 . 3.26 1247 1075 A 33 ILE HG2% A 65 SER HA 1.0 . 4.00 1248 1076 A 33 ILE HG2% A 64 SER HBx 1.0 . 3.42 1249 1077 A 65 SER HBx A 33 ILE HG2% 1.0 . 5.50 1250 1078 A 105 ASP H A 104 ILE HG2% 1.0 . 4.96 1251 1079 A 104 ILE HG1x A 104 ILE HG2% 1.0 . 2.94 1252 1080 A 104 ILE H A 104 ILE HG2% 1.0 . 4.65 1253 1081 A 104 ILE HA A 104 ILE HG2% 1.0 . 3.79 1254 1082 A 66 VAL HGx% A 65 SER HA 1.0 . 4.52 1255 1083 A 12 SER H A 36 ILE HG2% 1.0 . 4.61 1256 1084 A 36 ILE HG2% A 38 SER HBy 1.0 . 4.89 1257 1085 A 36 ILE HG1x A 36 ILE HG2% 1.0 . 3.86 1258 1086 A 37 THR H A 36 ILE HG2% 1.0 . 3.64 1259 1087 A 36 ILE H A 36 ILE HG2% 1.0 . 4.53 1260 1088 A 36 ILE HG2% A 51 TRP HZ3 1.0 . 5.34 1261 1089 A 13 TYR HD% A 36 ILE HG2% 1.0 . 4.52 1262 1090 A 38 SER HA A 36 ILE HG2% 1.0 . 4.55 1263 1091 A 36 ILE HA A 36 ILE HG2% 1.0 . 3.75 1264 1092 A 38 SER HBx A 36 ILE HG2% 1.0 . 3.63 1265 1093 A 36 ILE HG2% A 92 LEU HDx% 1.0 . 3.90 1266 1094 A 66 VAL H A 65 SER HA 1.0 . 2.80 1267 1095 A 13 TYR H A 12 SER HA 1.0 . 3.08 1268 1096 A 18 THR HG2% A 12 SER HA 1.0 . 4.13 1269 1097 A 92 LEU HDx% A 12 SER HA 1.0 . 4.06 1270 1098 A 91 THR H A 90 LYS HA 1.0 . 2.71 1271 1099 A 90 LYS HGy A 90 LYS HA 1.0 . 3.48 1272 1100 A 90 LYS HA A 91 THR HA 1.0 . 5.28 1273 1101 A 98 GLN H A 96 ILE HG2% 1.0 . 4.61 1274 1102 A 96 ILE H A 96 ILE HG2% 1.0 . 4.53 1275 1103 A 97 VAL H A 96 ILE HG2% 1.0 . 3.72 1276 1104 A 96 ILE HA A 96 ILE HG2% 1.0 . 3.43 1277 1105 A 96 ILE HG2% A 24 PRO HDy 1.0 . 3.93 1278 1106 A 96 ILE HG2% A 24 PRO HDx 1.0 . 3.91 1279 1107 A 96 ILE HG2% A 22 GLU HGy 1.0 . 4.89 1280 1107 A 96 ILE HG2% A 22 GLU HGx 1.0 . 4.89 1281 1108 A 96 ILE HG2% A 96 ILE HD1% 1.0 . 3.09 1282 1109 A 59 ILE HD1% A 96 ILE HG2% 1.0 . 5.26 1283 1110 A 22 GLU H A 96 ILE HG2% 1.0 . 5.25 1284 1111 A 104 ILE H A 103 SER HA 1.0 . 2.77 1285 1112 A 102 THR HB A 103 SER HA 1.0 . 4.36 1286 1113 A 103 SER HBx A 103 SER HA 1.0 . 2.89 1287 1114 A 100 GLY HAx A 74 LYS HA 1.0 . 3.87 1288 1115 A 31 SER HA A 32 PHE H 1.0 . 2.82 1289 1116 A 31 SER HA A 31 SER HBx 1.0 . 2.97 1290 1116 A 31 SER HA A 31 SER HBy 1.0 . 2.97 1291 1117 A 66 VAL HGx% A 31 SER HA 1.0 . 5.50 1292 1118 A 94 LEU H A 93 SER HA 1.0 . 2.65 1293 1119 A 94 LEU HBy A 93 SER HA 1.0 . 4.59 1294 1120 A 93 SER HA A 80 LEU HDy% 1.0 . 4.57 1295 1120 A 80 LEU HDx% A 93 SER HA 1.0 . 4.57 1296 1121 A 11 PHE H A 10 TYR HA 1.0 . 2.79 1297 1122 A 10 TYR HA A 10 TYR HE% 1.0 . 3.94 1298 1122 A 10 TYR HA A 10 TYR HD% 1.0 . 3.94 1299 1123 A 101 LYS H A 74 LYS HA 1.0 . 3.00 1300 1124 A 20 HIS HBy A 19 SER HA 1.0 . 5.07 1301 1125 A 93 SER H A 19 SER HA 1.0 . 3.59 1302 1126 A 20 HIS H A 19 SER HA 1.0 . 2.87 1303 1127 A 92 LEU HDy% A 19 SER HA 1.0 . 5.50 1304 1128 A 40 LYS H A 39 TYR HA 1.0 . 2.94 1305 1129 A 49 LEU H A 39 TYR HA 1.0 . 3.42 1306 1130 A 39 TYR HD% A 39 TYR HA 1.0 . 4.49 1307 1131 A 48 ALA HA A 39 TYR HA 1.0 . 3.24 1308 1132 A 92 LEU HA A 19 SER HA 1.0 . 3.85 1309 1133 A 9 TYR H A 8 SER HA 1.0 . 2.62 1310 1134 A 86 ASP H A 85 GLN HA 1.0 . 3.07 1311 1135 A 51 TRP HA A 85 GLN HA 1.0 . 3.44 1312 1136 A 51 TRP HBy A 85 GLN HA 1.0 . 4.07 1313 1137 A 85 GLN HA A 86 ASP HB2 1.0 . 4.93 1314 1137 A 86 ASP HB3 A 85 GLN HA 1.0 . 4.93 1315 1138 A 85 GLN HGx A 85 GLN HA 1.0 . 3.77 1316 1139 A 32 PHE HA A 32 PHE HD% 1.0 . 3.98 1317 1140 A 33 ILE H A 32 PHE HA 1.0 . 2.75 1318 1141 A 33 ILE HG1y A 32 PHE HA 1.0 . 4.36 1319 1142 A 32 PHE HA A 33 ILE HD1% 1.0 . 4.85 1320 1143 A 9 TYR HD% A 8 SER HA 1.0 . 4.41 1321 1144 A 51 TRP H A 50 SER HA 1.0 . 3.02 1322 1145 A 49 LEU HA A 50 SER HA 1.0 . 4.64 1323 1146 A 31 SER HA A 32 PHE HA 1.0 . 4.96 1324 1147 A 57 SER H A 56 ASP HA 1.0 . 2.84 1325 1148 A 66 VAL HGy% A 67 SER HA 1.0 . 4.75 1326 1149 A 68 TYR H A 67 SER HA 1.0 . 2.89 1327 1150 A 31 SER HA A 67 SER HA 1.0 . 3.09 1328 1151 A 67 SER HA A 67 SER HBy 1.0 . 2.92 1329 1151 A 67 SER HA A 67 SER HBx 1.0 . 2.92 1330 1152 A 39 TYR H A 38 SER HA 1.0 . 2.90 1331 1153 A 85 GLN HE2y A 38 SER HA 1.0 . 3.97 1332 1154 A 85 GLN HE2x A 38 SER HA 1.0 . 3.99 1333 1155 A 74 LYS H A 75 GLU HA 1.0 . 4.94 1334 1156 A 76 ARG H A 75 GLU HA 1.0 . 2.58 1335 1157 A 77 ARG H A 76 ARG HA 1.0 . 2.77 1336 1158 A 86 ASP HA A 87 GLU HG2 1.0 . 4.74 1337 1158 A 86 ASP HA A 87 GLU HG3 1.0 . 4.74 1338 1159 A 96 ILE HA A 96 ILE HD1% 1.0 . 4.15 1339 1160 A 68 TYR HBy A 96 ILE HD1% 1.0 . 4.39 1340 1161 A 68 TYR HBx A 96 ILE HD1% 1.0 . 3.98 1341 1162 A 59 ILE HG2% A 96 ILE HD1% 1.0 . 2.92 1342 1163 A 59 ILE HD1% A 96 ILE HD1% 1.0 . 3.81 1343 1164 A 98 GLN HE2x A 70 GLU HA 1.0 . 4.35 1344 1165 A 71 ASN H A 70 GLU HA 1.0 . 2.96 1345 1166 A 98 GLN HE2y A 70 GLU HA 1.0 . 3.82 1346 1167 A 70 GLU HA A 101 LYS HE2 1.0 . 4.55 1347 1167 A 101 LYS HE3 A 70 GLU HA 1.0 . 4.55 1348 1168 A 96 ILE H A 96 ILE HD1% 1.0 . 4.62 1349 1169 A 96 ILE HD1% A 59 ILE HA 1.0 . 4.72 1350 1170 A 47 LYS HA A 47 LYS HE2 1.0 . 4.91 1351 1170 A 47 LYS HE3 A 47 LYS HA 1.0 . 4.91 1352 1171 A 21 THR H A 20 HIS HA 1.0 . 2.82 1353 1172 A 85 GLN HE2y A 11 PHE HA 1.0 . 4.38 1354 1173 A 10 TYR HA A 11 PHE HA 1.0 . 4.49 1355 1174 A 42 THR H A 41 LYS HA 1.0 . 2.69 1356 1175 A 46 THR H A 47 LYS HA 1.0 . 4.68 1357 1176 A 12 SER H A 11 PHE HA 1.0 . 2.91 1358 1177 A 36 ILE HG2% A 11 PHE HA 1.0 . 4.80 1359 1178 A 41 LYS HA A 46 THR HB 1.0 . 4.65 1360 1179 A 48 ALA H A 47 LYS HA 1.0 . 2.49 1361 1180 A 47 LYS HA A 47 LYS HBx 1.0 . 3.02 1362 1180 A 47 LYS HBy A 47 LYS HA 1.0 . 3.02 1363 1181 A 37 THR H A 36 ILE HD1% 1.0 . 5.00 1364 1182 A 36 ILE H A 36 ILE HD1% 1.0 . 4.57 1365 1183 A 23 TYR HA A 24 PRO HDy 1.0 . 3.25 1366 1184 A 21 THR HG2% A 23 TYR HA 1.0 . 4.69 1367 1185 A 34 LEU HDx% A 36 ILE HD1% 1.0 . 3.35 1368 1186 A 92 LEU HDx% A 36 ILE HD1% 1.0 . 3.81 1369 1187 A 36 ILE HA A 36 ILE HD1% 1.0 . 4.21 1370 1188 A 34 LEU HBy A 36 ILE HD1% 1.0 . 3.73 1371 1189 A 60 HIS H A 68 TYR HA 1.0 . 3.83 1372 1190 A 68 TYR HA A 59 ILE HA 1.0 . 3.49 1373 1191 A 69 ASP H A 68 TYR HA 1.0 . 3.03 1374 1192 A 68 TYR HD% A 68 TYR HA 1.0 . 4.11 1375 1193 A 97 VAL H A 23 TYR HA 1.0 . 3.96 1376 1194 A 59 ILE HD1% A 80 LEU H 1.0 . 4.63 1377 1195 A 84 LYS HA A 91 THR HA 1.0 . 3.68 1378 1196 A 103 SER HA A 104 ILE HD1% 1.0 . 5.50 1379 1197 A 104 ILE HA A 104 ILE HD1% 1.0 . 4.76 1380 1198 A 59 ILE HD1% A 96 ILE H 1.0 . 4.99 1381 1199 A 79 GLY HAy A 59 ILE HD1% 1.0 . 3.89 1382 1200 A 59 ILE HD1% A 79 GLY HAx 1.0 . 3.53 1383 1201 A 85 GLN H A 84 LYS HA 1.0 . 2.94 1384 1202 A 84 LYS HA A 84 LYS HG2 1.0 . 3.31 1385 1202 A 84 LYS HA A 84 LYS HG3 1.0 . 3.31 1386 1203 A 21 THR H A 22 GLU HA 1.0 . 4.79 1387 1204 A 95 LYS H A 94 LEU HA 1.0 . 2.81 1388 1205 A 20 HIS HBy A 94 LEU HA 1.0 . 5.03 1389 1206 A 20 HIS HBx A 94 LEU HA 1.0 . 3.85 1390 1207 A 23 TYR H A 22 GLU HA 1.0 . 2.75 1391 1208 A 22 GLU HA A 22 GLU HGy 1.0 . 3.48 1392 1208 A 22 GLU HGx A 22 GLU HA 1.0 . 3.48 1393 1209 A 23 TYR HBx A 22 GLU HA 1.0 . 4.56 1394 1210 A 21 THR HG2% A 22 GLU HA 1.0 . 4.98 1395 1211 A 81 VAL H A 80 LEU HA 1.0 . 2.64 1396 1212 A 96 ILE H A 80 LEU HA 1.0 . 4.83 1397 1213 A 59 ILE HD1% A 95 LYS HA 1.0 . 5.50 1398 1214 A 96 ILE H A 95 LYS HA 1.0 . 2.77 1399 1215 A 95 LYS HA A 95 LYS HGy 1.0 . 3.61 1400 1216 A 78 THR HG2% A 95 LYS HA 1.0 . 4.29 1401 1217 A 21 THR HG2% A 95 LYS HA 1.0 . 5.50 1402 1218 A 79 GLY H A 95 LYS HA 1.0 . 4.61 1403 1219 A 95 LYS HA A 80 LEU HA 1.0 . 3.59 1404 1220 A 59 ILE HD1% A 80 LEU HA 1.0 . 4.85 1405 1221 A 35 ASP H A 34 LEU HA 1.0 . 2.74 1406 1222 A 15 ASP HBy A 15 ASP HA 1.0 . 2.96 1407 1223 A 15 ASP HBx A 15 ASP HA 1.0 . 2.91 1408 1224 A 34 LEU HG A 34 LEU HA 1.0 . 4.08 1409 1225 A 59 ILE HG1y A 58 TRP HA 1.0 . 4.62 1410 1226 A 93 SER H A 92 LEU HA 1.0 . 3.20 1411 1227 A 33 ILE HB A 33 ILE HD1% 1.0 . 3.85 1412 1228 A 65 SER HA A 33 ILE HD1% 1.0 . 3.83 1413 1229 A 36 ILE H A 35 ASP HA 1.0 . 2.82 1414 1230 A 10 TYR H A 40 LYS HA 1.0 . 3.88 1415 1231 A 41 LYS H A 40 LYS HA 1.0 . 2.76 1416 1232 A 40 LYS HA A 10 TYR HE% 1.0 . 4.38 1417 1232 A 40 LYS HA A 10 TYR HD% 1.0 . 4.38 1418 1233 A 49 LEU H A 48 ALA HA 1.0 . 3.05 1419 1234 A 50 SER H A 49 LEU HA 1.0 . 2.81 1420 1235 A 61 VAL H A 60 HIS HA 1.0 . 2.76 1421 1236 A 61 VAL HGy% A 60 HIS HA 1.0 . 4.75 1422 1237 A 60 HIS HA A 60 HIS HD2 1.0 . 4.45 1423 1238 A 30 GLY H A 29 ALA HA 1.0 . 2.79 1424 1239 A 29 ALA HA A 70 GLU HGx 1.0 . 5.50 1425 1240 A 99 PRO HDx A 98 GLN HA 1.0 . 3.47 1426 1241 A 98 GLN HA A 99 PRO HDy 1.0 . 3.23 1427 1242 A 26 ASP H A 99 PRO HDx 1.0 . 4.80 1428 1243 A 99 PRO HDx A 25 ASP HA 1.0 . 4.96 1429 1244 A 52 ASN HA A 51 TRP HD1 1.0 . 4.89 1430 1245 A 63 GLY H A 62 ASN HA 1.0 . 2.80 1431 1246 A 53 ALA H A 52 ASN HA 1.0 . 2.76 1432 1247 A 52 ASN HA A 52 ASN HB2 1.0 . 2.82 1433 1247 A 52 ASN HA A 52 ASN HB3 1.0 . 2.82 1434 1248 A 53 ALA HB% A 52 ASN HA 1.0 . 4.29 1435 1249 A 63 GLY HAx A 62 ASN HA 1.0 . 4.60 1436 1250 A 53 ALA HA A 52 ASN HB2 1.0 . 4.57 1437 1250 A 53 ALA HA A 52 ASN HB3 1.0 . 4.57 1438 1251 A 53 ALA HA A 54 SER H 1.0 . 2.78 1439 1252 A 53 ALA HA A 83 LEU HA 1.0 . 3.16 1440 1253 A 53 ALA HA A 54 SER HA 1.0 . 5.12 1441 1254 A 73 ALA HA A 74 LYS H 1.0 . 2.82 1442 1255 A 5 SER HA A 6 PRO HDy 1.0 . 3.03 1443 1256 A 6 PRO HDy A 5 SER HB2 1.0 . 2.40 1444 1256 A 5 SER HB3 A 6 PRO HDy 1.0 . 2.40 1445 1257 A 5 SER HA A 6 PRO HDx 1.0 . 3.02 1446 1258 A 73 ALA H A 72 PRO HDy 1.0 . 4.53 1447 1259 A 73 ALA H A 72 PRO HDx 1.0 . 3.66 1448 1260 A 97 VAL H A 24 PRO HDy 1.0 . 4.52 1449 1261 A 24 PRO HDy A 22 GLU HGy 1.0 . 5.41 1450 1261 A 22 GLU HGx A 24 PRO HDy 1.0 . 5.41 1451 1262 A 23 TYR HA A 24 PRO HDx 1.0 . 3.71 1452 1263 A 24 PRO HDx A 22 GLU HB2 1.0 . 3.53 1453 1263 A 22 GLU HB3 A 24 PRO HDx 1.0 . 3.53 1454 1264 A 23 TYR H A 24 PRO HDx 1.0 . 4.63 1455 1265 A 97 VAL H A 24 PRO HDx 1.0 . 4.65 1456 1266 A 24 PRO HDx A 22 GLU HGy 1.0 . 4.65 1457 1266 A 22 GLU HGx A 24 PRO HDx 1.0 . 4.65 1458 1267 A 72 PRO HDy A 71 ASN HA 1.0 . 3.38 1459 1268 A 72 PRO HDx A 71 ASN HA 1.0 . 3.29 1460 1269 A 72 PRO HGx A 71 ASN HA 1.0 . 4.47 1461 1270 A 23 TYR HD% A 22 GLU HA 1.0 . 3.55 1462 1271 A 97 VAL HB A 23 TYR HD% 1.0 . 2.73 1463 1272 A 97 VAL HGy% A 23 TYR HD% 1.0 . 2.98 1464 1273 A 21 THR HG2% A 23 TYR HD% 1.0 . 3.38 1465 1274 A 10 TYR H A 10 TYR HD% 1.0 . 2.92 1466 1275 A 39 TYR HE% A 10 TYR HD% 1.0 . 3.14 1467 1276 A 40 LYS HA A 10 TYR HD% 1.0 . 3.48 1468 1277 A 37 THR HG2% A 10 TYR HD% 1.0 . 3.18 1469 1278 A 41 LYS H A 10 TYR HD% 1.0 . 3.71 1470 1279 A 23 TYR H A 23 TYR HD% 1.0 . 2.95 1471 1280 A 97 VAL H A 23 TYR HD% 1.0 . 4.18 1472 1281 A 23 TYR HA A 23 TYR HD% 1.0 . 3.07 1473 1282 A 10 TYR HA A 10 TYR HD% 1.0 . 3.19 1474 1283 A 10 TYR H A 9 TYR HD% 1.0 . 4.26 1475 1284 A 9 TYR H A 9 TYR HD% 1.0 . 3.12 1476 1285 A 9 TYR HD% A 88 SER HBx 1.0 . 3.78 1477 1286 A 9 TYR HD% A 7 VAL HGx% 1.0 . 3.44 1478 1287 A 40 LYS HA A 9 TYR HD% 1.0 . 3.57 1479 1288 A 9 TYR HA A 9 TYR HD% 1.0 . 2.93 1480 1289 A 9 TYR HD% A 40 LYS HBy 1.0 . 2.87 1481 1290 A 9 TYR HD% A 40 LYS HBx 1.0 . 3.26 1482 1291 A 34 LEU HA A 32 PHE HD% 1.0 . 4.50 1483 1292 A 39 TYR HD% A 40 LYS H 1.0 . 3.18 1484 1293 A 39 TYR HD% A 38 SER H 1.0 . 3.07 1485 1294 A 39 TYR HD% A 41 LYS HA 1.0 . 4.66 1486 1295 A 39 TYR HD% A 46 THR HB 1.0 . 3.05 1487 1296 A 37 THR HG2% A 39 TYR HD% 1.0 . 2.57 1488 1297 A 32 PHE H A 32 PHE HD% 1.0 . 3.25 1489 1298 A 33 ILE H A 32 PHE HD% 1.0 . 3.21 1490 1299 A 34 LEU HG A 32 PHE HD% 1.0 . 3.45 1491 1300 A 34 LEU HDy% A 32 PHE HD% 1.0 . 2.95 1492 1301 A 66 VAL HGx% A 32 PHE HD% 1.0 . 3.08 1493 1302 A 31 SER HA A 32 PHE HD% 1.0 . 4.22 1494 1303 A 39 TYR HD% A 37 THR HA 1.0 . 4.30 1495 1304 A 39 TYR HD% A 46 THR HG2% 1.0 . 2.74 1496 1305 A 13 TYR HD% A 13 TYR H 1.0 . 3.34 1497 1306 A 13 TYR HD% A 36 ILE HG1x 1.0 . 4.55 1498 1307 A 13 TYR HD% A 92 LEU HDy% 1.0 . 3.71 1499 1308 A 13 TYR HD% A 19 SER H 1.0 . 3.99 1500 1309 A 34 LEU HDy% A 32 PHE HE% 1.0 . 2.49 1501 1310 A 34 LEU HG A 32 PHE HE% 1.0 . 3.37 1502 1311 A 96 ILE HD1% A 68 TYR HD% 1.0 . 2.79 1503 1312 A 57 SER H A 58 TRP HD1 1.0 . 3.75 1504 1313 A 58 TRP HD1 A 58 TRP H 1.0 . 2.52 1505 1314 A 58 TRP HBx A 58 TRP HD1 1.0 . 3.09 1506 1315 A 56 ASP HBy A 58 TRP HD1 1.0 . 3.23 1507 1316 A 52 ASN H A 51 TRP HD1 1.0 . 4.58 1508 1317 A 36 ILE HB A 51 TRP HH2 1.0 . 3.69 1509 1318 A 36 ILE HG2% A 51 TRP HH2 1.0 . 3.89 1510 1319 A 68 TYR HBx A 58 TRP HE3 1.0 . 4.02 1511 1320 A 69 ASP H A 58 TRP HE3 1.0 . 3.28 1512 1321 A 58 TRP HBy A 58 TRP HE3 1.0 . 3.28 1513 1322 A 68 TYR HBy A 58 TRP HE3 1.0 . 3.13 1514 1323 A 58 TRP HE3 A 59 ILE HG1x 1.0 . 3.74 1515 1324 A 58 TRP HE3 A 68 TYR HA 1.0 . 3.80 1516 1325 A 79 GLY H A 58 TRP HH2 1.0 . 3.55 1517 1326 A 79 GLY HAy A 58 TRP HH2 1.0 . 4.06 1518 1327 A 79 GLY HAx A 58 TRP HH2 1.0 . 4.77 1519 1328 A 96 ILE HB A 58 TRP HH2 1.0 . 2.96 1520 1329 A 96 ILE HG2% A 58 TRP HH2 1.0 . 3.22 1521 1330 A 59 ILE HD1% A 58 TRP HH2 1.0 . 3.90 1522 1331 A 38 SER HBx A 51 TRP HZ3 1.0 . 4.32 1523 1332 A 51 TRP HZ3 A 38 SER HBy 1.0 . 4.46 1524 1333 A 68 TYR HBx A 58 TRP HZ3 1.0 . 4.37 1525 1334 A 68 TYR HBy A 58 TRP HZ3 1.0 . 3.71 1526 1335 A 96 ILE HG2% A 58 TRP HZ3 1.0 . 3.07 1527 1336 A 96 ILE HB A 58 TRP HZ3 1.0 . 3.44 1528 1337 A 96 ILE HD1% A 58 TRP HZ3 1.0 . 3.62 1529 1338 A 69 ASP H A 60 HIS HD2 1.0 . 4.49 1530 1339 A 60 HIS H A 60 HIS HD2 1.0 . 3.41 1531 1340 A 60 HIS HD2 A 67 SER HBy 1.0 . 3.50 1532 1341 A 60 HIS HBy A 60 HIS HD2 1.0 . 3.05 1533 1342 A 51 TRP HA A 51 TRP HE3 1.0 . 4.71 1534 1343 A 38 SER HBy A 51 TRP HE3 1.0 . 4.26 1535 1344 A 38 SER HBx A 51 TRP HE3 1.0 . 4.18 1536 1345 A 50 SER HA A 51 TRP HE3 1.0 . 3.90 1537 1346 A 38 SER H A 39 TYR HE% 1.0 . 4.22 1538 1347 A 39 TYR HE% A 41 LYS HE2 1.0 . 4.02 1539 1347 A 41 LYS HE3 A 39 TYR HE% 1.0 . 4.02 1540 1348 A 46 THR HB A 39 TYR HE% 1.0 . 4.54 1541 1349 A 37 THR HG2% A 39 TYR HE% 1.0 . 2.40 1542 1350 A 9 TYR HE% A 88 SER HA 1.0 . 4.41 1543 1351 A 9 TYR HE% A 88 SER H 1.0 . 3.86 1544 1352 A 49 LEU HDy% A 9 TYR HE% 1.0 . 2.57 1545 1353 A 94 LEU HDy% A 68 TYR HE% 1.0 . 2.40 1546 1354 A 9 TYR HE% A 87 GLU HBy 1.0 . 2.85 1547 1355 A 9 TYR HE% A 40 LYS HBy 1.0 . 2.86 1548 1356 A 9 TYR HE% A 7 VAL HGx% 1.0 . 2.88 1549 1357 A 21 THR HB A 23 TYR HE% 1.0 . 3.00 1550 1358 A 97 VAL HB A 23 TYR HE% 1.0 . 3.11 1551 1359 A 97 VAL HGx% A 23 TYR HE% 1.0 . 2.69 1552 1360 A 21 THR HG2% A 23 TYR HE% 1.0 . 2.76 1553 1361 A 13 TYR HE% A 20 HIS HA 1.0 . 4.72 1554 1362 A 13 TYR HE% A 19 SER HA 1.0 . 2.75 1555 1363 A 13 TYR HE% A 36 ILE HD1% 1.0 . 3.05 1556 1364 A 13 TYR HE% A 92 LEU HDx% 1.0 . 3.30 1557 1365 A 39 TYR HE% A 10 TYR HE% 1.0 . 3.12 1558 1366 A 10 TYR HA A 10 TYR HE% 1.0 . 4.72 1559 1367 A 41 LYS HBy A 10 TYR HE% 1.0 . 2.89 1560 1368 A 10 TYR HE% A 41 LYS HD2 1.0 . 2.76 1561 1368 A 41 LYS HD3 A 10 TYR HE% 1.0 . 2.76 1562 1369 A 41 LYS H A 10 TYR HE% 1.0 . 3.30 1563 1370 A 36 ILE HD1% A 51 TRP HZ2 1.0 . 3.82 1564 1371 A 80 LEU H A 58 TRP HZ2 1.0 . 4.81 1565 1372 A 59 ILE HD1% A 58 TRP HZ2 1.0 . 3.74 1566 1373 A 79 GLY H A 58 TRP HZ2 1.0 . 3.24 1567 1374 A 79 GLY HAy A 58 TRP HZ2 1.0 . 3.13 1568 1375 A 79 GLY HAx A 58 TRP HZ2 1.0 . 2.86 stop_ save_