data_nef_c19870_2mmx 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 2W0K PDB 2MKW PDB 2MMX BMRB 19798 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 22 CYS SG 1 91 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ASN start . . 2 A 2 PHE middle . . 3 A 3 MET middle . . 4 A 4 LEU middle . . 5 A 5 THR middle . . 6 A 6 GLN middle . . 7 A 7 PRO middle . false 8 A 8 HIS middle . . 9 A 9 SER middle . . 10 A 10 VAL middle . . 11 A 11 SER middle . . 12 A 12 GLU middle . . 13 A 13 SER middle . . 14 A 14 PRO middle . false 15 A 15 GLY middle . false 16 A 16 LYS middle . . 17 A 17 THR middle . . 18 A 18 VAL middle . . 19 A 19 THR middle . . 20 A 20 ILE middle . . 21 A 21 SER middle . . 22 A 22 CYS middle -HG . 23 A 23 THR middle . . 24 A 24 ARG middle . . 25 A 25 SER middle . . 26 A 26 SER middle . . 27 A 27 GLY middle . false 28 A 28 SER middle . . 29 A 29 ILE middle . . 30 A 30 ALA middle . . 31 A 31 SER middle . . 32 A 32 ASN middle . . 33 A 33 TYR middle . . 34 A 34 VAL middle . . 35 A 35 GLN middle . . 36 A 36 TRP middle . . 37 A 37 TYR middle . . 38 A 38 GLN middle . . 39 A 39 GLN middle . . 40 A 40 ARG middle . . 41 A 41 PRO middle . false 42 A 42 GLY middle . false 43 A 43 SER middle . . 44 A 44 SER middle . . 45 A 45 PRO middle . false 46 A 46 THR middle . . 47 A 47 THR middle . . 48 A 48 VAL middle . . 49 A 49 ILE middle . . 50 A 50 TYR middle . . 51 A 51 GLU middle . . 52 A 52 ASP middle . . 53 A 53 ASN middle . . 54 A 54 GLN middle . . 55 A 55 ARG middle . . 56 A 56 PRO middle . false 57 A 57 SER middle . . 58 A 58 GLY middle . false 59 A 59 VAL middle . . 60 A 60 PRO middle . false 61 A 61 ASP middle . . 62 A 62 ARG middle . . 63 A 63 PHE middle . . 64 A 64 SER middle . . 65 A 65 GLY middle . false 66 A 66 SER middle . . 67 A 67 ILE middle . . 68 A 68 ASP middle . . 69 A 69 SER middle . . 70 A 70 SER middle . . 71 A 71 SER middle . . 72 A 72 ASN middle . . 73 A 73 SER middle . . 74 A 74 ALA middle . . 75 A 75 SER middle . . 76 A 76 LEU middle . . 77 A 77 THR middle . . 78 A 78 ILE middle . . 79 A 79 SER middle . . 80 A 80 GLY middle . false 81 A 81 LEU middle . . 82 A 82 LYS middle . . 83 A 83 THR middle . . 84 A 84 GLU middle . . 85 A 85 ASP middle . . 86 A 86 GLU middle . . 87 A 87 ALA middle . . 88 A 88 ASP middle . . 89 A 89 TYR middle . . 90 A 90 TYR middle . . 91 A 91 CYS middle -HG . 92 A 92 GLN middle . . 93 A 93 SER middle . . 94 A 94 TYR middle . . 95 A 95 ASP middle . . 96 A 96 SER middle . . 97 A 97 SER middle . . 98 A 98 ASN middle . . 99 A 99 HIS middle . . 100 A 100 VAL middle . . 101 A 101 VAL middle . . 102 A 102 PHE middle . . 103 A 103 GLY middle . false 104 A 104 GLY middle . false 105 A 105 GLY middle . false 106 A 106 THR middle . . 107 A 107 LYS middle . . 108 A 108 LEU middle . . 109 A 109 THR middle . . 110 A 110 VAL middle . . 111 A 111 LEU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ASN HA H 1 4.783 0.020 A 1 ASN HBx H 1 2.447 0.020 A 1 ASN HBy H 1 2.540 0.020 A 1 ASN HD21 H 1 7.646 0.020 A 1 ASN HD22 H 1 7.381 0.020 A 1 ASN ND2 N 15 113.375 0.3 A 2 PHE HA H 1 4.836 0.020 A 2 PHE HBy H 1 3.360 0.020 A 2 PHE HBx H 1 2.696 0.020 A 2 PHE HDx H 1 6.961 0.020 A 2 PHE HDy H 1 6.976 0.020 A 2 PHE HE1 H 1 6.890 0.020 A 2 PHE HE2 H 1 6.890 0.020 A 2 PHE HZ H 1 7.080 0.020 A 2 PHE C C 13 174.202 0.3 A 2 PHE CA C 13 57.584 0.3 A 2 PHE CB C 13 41.173 0.3 A 3 MET H H 1 8.895 0.020 A 3 MET HA H 1 4.701 0.020 A 3 MET HBy H 1 2.014 0.020 A 3 MET HBx H 1 1.955 0.020 A 3 MET HE% H 1 2.125 0.020 A 3 MET HGy H 1 2.595 0.020 A 3 MET HGx H 1 2.536 0.020 A 3 MET C C 13 175.332 0.3 A 3 MET CA C 13 53.526 0.3 A 3 MET CB C 13 35.688 0.3 A 3 MET CE C 13 16.837 0.3 A 3 MET CG C 13 31.728 0.3 A 3 MET N N 15 116.859 0.3 A 4 LEU H H 1 8.725 0.020 A 4 LEU HA H 1 5.199 0.020 A 4 LEU HBy H 1 1.502 0.020 A 4 LEU HBx H 1 1.453 0.020 A 4 LEU HDx% H 1 0.586 0.020 A 4 LEU HDy% H 1 0.675 0.020 A 4 LEU HG H 1 0.773 0.020 A 4 LEU C C 13 175.332 0.3 A 4 LEU CA C 13 53.615 0.3 A 4 LEU CB C 13 43.760 0.3 A 4 LEU CD1 C 13 26.000 0.3 A 4 LEU CD2 C 13 23.600 0.3 A 4 LEU CG C 13 25.800 0.3 A 4 LEU N N 15 122.767 0.3 A 5 THR H H 1 8.971 0.020 A 5 THR HA H 1 4.779 0.020 A 5 THR HB H 1 4.022 0.020 A 5 THR HG2% H 1 1.256 0.020 A 5 THR C C 13 174.310 0.3 A 5 THR CA C 13 61.464 0.3 A 5 THR CB C 13 69.848 0.3 A 5 THR CG2 C 13 21.219 0.3 A 5 THR N N 15 117.587 0.3 A 6 GLN H H 1 9.411 0.020 A 6 GLN HA H 1 5.354 0.020 A 6 GLN HBy H 1 2.464 0.020 A 6 GLN HBx H 1 1.876 0.020 A 6 GLN HE21 H 1 6.508 0.020 A 6 GLN HE22 H 1 7.375 0.020 A 6 GLN HGy H 1 2.830 0.020 A 6 GLN HGx H 1 2.000 0.020 A 6 GLN C C 13 173.900 0.3 A 6 GLN CA C 13 52.055 0.3 A 6 GLN CB C 13 31.853 0.3 A 6 GLN CG C 13 36.004 0.3 A 6 GLN N N 15 126.713 0.3 A 6 GLN NE2 N 15 111.834 0.3 A 8 HIS HA H 1 4.570 0.020 A 8 HIS HBx H 1 3.250 0.020 A 8 HIS HBy H 1 3.304 0.020 A 8 HIS HD2 H 1 7.500 0.020 A 8 HIS HE1 H 1 8.680 0.020 A 8 HIS C C 13 176.679 0.3 A 8 HIS CA C 13 58.562 0.3 A 8 HIS CB C 13 28.354 0.3 A 9 SER H H 1 7.889 0.020 A 9 SER HA H 1 5.362 0.020 A 9 SER HBy H 1 4.811 0.020 A 9 SER HBx H 1 3.865 0.020 A 9 SER C C 13 172.452 0.3 A 9 SER CA C 13 57.045 0.3 A 9 SER CB C 13 65.283 0.3 A 9 SER N N 15 110.723 0.3 A 10 VAL H H 1 8.582 0.020 A 10 VAL HA H 1 4.452 0.020 A 10 VAL HB H 1 1.863 0.020 A 10 VAL HGx% H 1 0.930 0.020 A 10 VAL HGy% H 1 0.842 0.020 A 10 VAL C C 13 173.474 0.3 A 10 VAL CA C 13 61.020 0.3 A 10 VAL CB C 13 36.045 0.3 A 10 VAL CG1 C 13 21.526 0.3 A 10 VAL CG2 C 13 21.300 0.3 A 10 VAL N N 15 120.425 0.3 A 11 SER H H 1 8.288 0.020 A 11 SER HA H 1 5.765 0.020 A 11 SER HBy H 1 3.688 0.020 A 11 SER HBx H 1 3.586 0.020 A 11 SER C C 13 173.118 0.3 A 11 SER CA C 13 56.068 0.3 A 11 SER CB C 13 65.611 0.3 A 11 SER N N 15 118.694 0.3 A 12 GLU H H 1 8.206 0.020 A 12 GLU HA H 1 4.571 0.020 A 12 GLU HBy H 1 1.800 0.020 A 12 GLU HBx H 1 1.590 0.020 A 12 GLU HGy H 1 2.516 0.020 A 12 GLU HGx H 1 2.437 0.020 A 12 GLU C C 13 174.200 0.3 A 12 GLU CA C 13 54.418 0.3 A 12 GLU CB C 13 35.019 0.3 A 12 GLU CG C 13 36.775 0.3 A 12 GLU N N 15 123.688 0.3 A 13 SER H H 1 9.665 0.020 A 13 SER HA H 1 4.840 0.020 A 13 SER HBy H 1 3.943 0.020 A 13 SER HBx H 1 3.599 0.020 A 13 SER C C 13 170.915 0.3 A 13 SER CA C 13 57.406 0.3 A 13 SER CB C 13 62.668 0.3 A 13 SER N N 15 119.292 0.3 A 14 PRO HA H 1 3.944 0.020 A 14 PRO HBy H 1 2.201 0.020 A 14 PRO HBx H 1 1.807 0.020 A 14 PRO C C 13 177.624 0.3 A 14 PRO CA C 13 63.248 0.3 A 14 PRO CB C 13 31.541 0.3 A 15 GLY H H 1 10.059 0.020 A 15 GLY HAy H 1 4.323 0.020 A 15 GLY HAx H 1 3.383 0.020 A 15 GLY C C 13 174.697 0.3 A 15 GLY CA C 13 44.696 0.3 A 15 GLY N N 15 111.980 0.3 A 16 LYS H H 1 7.183 0.020 A 16 LYS HA H 1 4.479 0.020 A 16 LYS HBy H 1 1.908 0.020 A 16 LYS HBx H 1 1.880 0.020 A 16 LYS HDx H 1 1.605 0.020 A 16 LYS HDy H 1 1.620 0.020 A 16 LYS HE2 H 1 2.990 0.020 A 16 LYS HE3 H 1 2.990 0.020 A 16 LYS HGy H 1 1.216 0.020 A 16 LYS HGx H 1 1.166 0.020 A 16 LYS C C 13 174.202 0.3 A 16 LYS CA C 13 54.733 0.3 A 16 LYS CB C 13 32.113 0.3 A 16 LYS CD C 13 27.900 0.3 A 16 LYS CE C 13 42.200 0.3 A 16 LYS CG C 13 24.880 0.3 A 16 LYS N N 15 121.029 0.3 A 17 THR H H 1 8.033 0.020 A 17 THR HA H 1 5.385 0.020 A 17 THR HB H 1 3.827 0.020 A 17 THR HG2% H 1 0.896 0.020 A 17 THR C C 13 173.800 0.3 A 17 THR CA C 13 61.165 0.3 A 17 THR CB C 13 70.342 0.3 A 17 THR CG2 C 13 21.500 0.3 A 17 THR N N 15 115.372 0.3 A 18 VAL H H 1 8.550 0.020 A 18 VAL HA H 1 4.564 0.020 A 18 VAL HB H 1 1.673 0.020 A 18 VAL HGx% H 1 0.721 0.020 A 18 VAL HGy% H 1 0.777 0.020 A 18 VAL C C 13 172.343 0.3 A 18 VAL CA C 13 58.811 0.3 A 18 VAL CB C 13 35.653 0.3 A 18 VAL CG1 C 13 21.162 0.3 A 18 VAL CG2 C 13 21.300 0.3 A 18 VAL N N 15 123.875 0.3 A 19 THR H H 1 8.099 0.020 A 19 THR HA H 1 5.125 0.020 A 19 THR HB H 1 3.633 0.020 A 19 THR HG2% H 1 0.930 0.020 A 19 THR C C 13 173.195 0.3 A 19 THR CA C 13 60.804 0.3 A 19 THR CB C 13 70.921 0.3 A 19 THR CG2 C 13 21.402 0.3 A 19 THR N N 15 119.624 0.3 A 20 ILE H H 1 9.172 0.020 A 20 ILE HA H 1 4.046 0.020 A 20 ILE HB H 1 1.460 0.020 A 20 ILE HD1% H 1 0.378 0.020 A 20 ILE HG1y H 1 1.343 0.020 A 20 ILE HG1x H 1 0.760 0.020 A 20 ILE HG2% H 1 1.187 0.020 A 20 ILE C C 13 174.100 0.3 A 20 ILE CA C 13 60.891 0.3 A 20 ILE CB C 13 40.500 0.3 A 20 ILE CD1 C 13 13.367 0.3 A 20 ILE CG1 C 13 28.584 0.3 A 20 ILE CG2 C 13 18.362 0.3 A 20 ILE N N 15 127.371 0.3 A 21 SER H H 1 7.542 0.020 A 21 SER HA H 1 5.430 0.020 A 21 SER HBy H 1 3.875 0.020 A 21 SER HBx H 1 3.825 0.020 A 21 SER C C 13 173.272 0.3 A 21 SER CA C 13 57.551 0.3 A 21 SER CB C 13 65.885 0.3 A 21 SER N N 15 119.951 0.3 A 22 CYS H H 1 8.597 0.020 A 22 CYS HA H 1 5.115 0.020 A 22 CYS HBy H 1 3.569 0.020 A 22 CYS HBx H 1 2.920 0.020 A 22 CYS C C 13 174.047 0.3 A 22 CYS CA C 13 55.383 0.3 A 22 CYS CB C 13 46.710 0.3 A 22 CYS N N 15 120.452 0.3 A 23 THR H H 1 9.276 0.020 A 23 THR HA H 1 4.584 0.020 A 23 THR HB H 1 3.963 0.020 A 23 THR HG2% H 1 1.246 0.020 A 23 THR C C 13 174.093 0.3 A 23 THR CA C 13 62.769 0.3 A 23 THR CB C 13 70.084 0.3 A 23 THR CG2 C 13 21.205 0.3 A 23 THR N N 15 122.873 0.3 A 24 ARG H H 1 8.457 0.020 A 24 ARG HA H 1 5.164 0.020 A 24 ARG HBx H 1 1.689 0.020 A 24 ARG HBy H 1 2.014 0.020 A 24 ARG C C 13 176.756 0.3 A 24 ARG CA C 13 55.455 0.3 A 24 ARG CB C 13 31.607 0.3 A 24 ARG N N 15 129.364 0.3 A 25 SER H H 1 9.148 0.020 A 25 SER HA H 1 4.742 0.020 A 25 SER HBy H 1 3.853 0.020 A 25 SER HBx H 1 3.823 0.020 A 25 SER C C 13 173.923 0.3 A 25 SER CA C 13 61.236 0.3 A 25 SER CB C 13 62.827 0.3 A 25 SER N N 15 123.892 0.3 A 26 SER H H 1 6.921 0.020 A 26 SER HA H 1 5.049 0.020 A 26 SER HBy H 1 4.174 0.020 A 26 SER HBx H 1 4.115 0.020 A 26 SER C C 13 173.900 0.3 A 26 SER CA C 13 57.334 0.3 A 26 SER CB C 13 62.537 0.3 A 26 SER N N 15 114.586 0.3 A 27 GLY HAy H 1 4.004 0.020 A 27 GLY HAx H 1 3.757 0.020 A 27 GLY C C 13 172.560 0.3 A 27 GLY CA C 13 44.108 0.3 A 28 SER H H 1 8.412 0.020 A 28 SER HA H 1 4.830 0.020 A 28 SER HBy H 1 3.780 0.020 A 28 SER HBx H 1 3.750 0.020 A 28 SER C C 13 177.391 0.3 A 28 SER CA C 13 56.683 0.3 A 28 SER CB C 13 63.116 0.3 A 28 SER N N 15 114.018 0.3 A 29 ILE H H 1 9.170 0.020 A 29 ILE HA H 1 3.855 0.020 A 29 ILE HB H 1 1.285 0.020 A 29 ILE HD1% H 1 0.858 0.020 A 29 ILE HG1y H 1 1.344 0.020 A 29 ILE HG1x H 1 1.212 0.020 A 29 ILE HG2% H 1 0.863 0.020 A 29 ILE C C 13 174.600 0.3 A 29 ILE CA C 13 61.000 0.3 A 29 ILE CB C 13 40.000 0.3 A 29 ILE CD1 C 13 14.690 0.3 A 29 ILE CG1 C 13 28.800 0.3 A 29 ILE CG2 C 13 17.659 0.3 A 29 ILE N N 15 129.641 0.3 A 30 ALA H H 1 7.446 0.020 A 30 ALA HA H 1 4.495 0.020 A 30 ALA HB% H 1 1.206 0.020 A 30 ALA C C 13 177.794 0.3 A 30 ALA CA C 13 51.553 0.3 A 30 ALA CB C 13 18.291 0.3 A 30 ALA N N 15 120.527 0.3 A 31 SER H H 1 7.801 0.020 A 31 SER HA H 1 4.032 0.020 A 31 SER HBy H 1 3.789 0.020 A 31 SER HBx H 1 3.759 0.020 A 31 SER C C 13 173.458 0.3 A 31 SER CA C 13 60.370 0.3 A 31 SER CB C 13 63.694 0.3 A 31 SER N N 15 113.454 0.3 A 32 ASN H H 1 7.209 0.020 A 32 ASN HA H 1 4.708 0.020 A 32 ASN HBy H 1 2.682 0.020 A 32 ASN HBx H 1 2.447 0.020 A 32 ASN HD21 H 1 7.368 0.020 A 32 ASN C C 13 173.087 0.3 A 32 ASN CA C 13 52.564 0.3 A 32 ASN CB C 13 43.836 0.3 A 32 ASN N N 15 116.373 0.3 A 33 TYR H H 1 8.264 0.020 A 33 TYR HA H 1 5.027 0.020 A 33 TYR HBy H 1 3.048 0.020 A 33 TYR HBx H 1 2.969 0.020 A 33 TYR HDy H 1 7.321 0.020 A 33 TYR HDx H 1 7.272 0.020 A 33 TYR HEy H 1 6.930 0.020 A 33 TYR HEx H 1 6.882 0.020 A 33 TYR C C 13 178.400 0.3 A 33 TYR CA C 13 57.696 0.3 A 33 TYR CB C 13 41.291 0.3 A 33 TYR N N 15 117.600 0.3 A 34 VAL H H 1 9.484 0.020 A 34 VAL HA H 1 4.643 0.020 A 34 VAL HB H 1 2.035 0.020 A 34 VAL HGx% H 1 0.463 0.020 A 34 VAL HGy% H 1 0.881 0.020 A 34 VAL C C 13 174.093 0.3 A 34 VAL CA C 13 61.671 0.3 A 34 VAL CB C 13 33.400 0.3 A 34 VAL CG1 C 13 21.234 0.3 A 34 VAL CG2 C 13 21.339 0.3 A 34 VAL N N 15 126.332 0.3 A 35 GLN H H 1 8.676 0.020 A 35 GLN HA H 1 4.908 0.020 A 35 GLN HBy H 1 1.965 0.020 A 35 GLN HBx H 1 1.886 0.020 A 35 GLN HGy H 1 2.494 0.020 A 35 GLN HGx H 1 2.464 0.020 A 35 GLN C C 13 174.300 0.3 A 35 GLN CA C 13 53.061 0.3 A 35 GLN CB C 13 33.484 0.3 A 35 GLN CG C 13 36.500 0.3 A 35 GLN N N 15 125.494 0.3 A 36 TRP H H 1 9.104 0.020 A 36 TRP HA H 1 5.568 0.020 A 36 TRP HBy H 1 2.979 0.020 A 36 TRP HBx H 1 2.775 0.020 A 36 TRP HD1 H 1 6.654 0.020 A 36 TRP HE3 H 1 7.299 0.020 A 36 TRP HH2 H 1 6.890 0.020 A 36 TRP HZ2 H 1 7.067 0.020 A 36 TRP HZ3 H 1 6.760 0.020 A 36 TRP C C 13 174.202 0.3 A 36 TRP CA C 13 55.700 0.3 A 36 TRP CB C 13 33.300 0.3 A 36 TRP N N 15 116.954 0.3 A 37 TYR H H 1 9.621 0.020 A 37 TYR HA H 1 5.568 0.020 A 37 TYR HBy H 1 2.796 0.020 A 37 TYR HBx H 1 2.564 0.020 A 37 TYR HDx H 1 6.732 0.020 A 37 TYR HDy H 1 6.771 0.020 A 37 TYR HE1 H 1 6.850 0.020 A 37 TYR HE2 H 1 6.850 0.020 A 37 TYR C C 13 174.496 0.3 A 37 TYR CA C 13 55.889 0.3 A 37 TYR CB C 13 42.447 0.3 A 37 TYR N N 15 119.383 0.3 A 38 GLN H H 1 9.358 0.020 A 38 GLN HA H 1 4.400 0.020 A 38 GLN HBy H 1 1.500 0.020 A 38 GLN HBx H 1 1.470 0.020 A 38 GLN HE21 H 1 7.845 0.020 A 38 GLN HE22 H 1 7.635 0.020 A 38 GLN HGy H 1 1.620 0.020 A 38 GLN HGx H 1 1.590 0.020 A 38 GLN C C 13 174.062 0.3 A 38 GLN CA C 13 53.793 0.3 A 38 GLN CB C 13 34.352 0.3 A 38 GLN CG C 13 35.600 0.3 A 38 GLN N N 15 122.798 0.3 A 38 GLN NE2 N 15 112.623 0.3 A 39 GLN H H 1 9.482 0.020 A 39 GLN HA H 1 4.836 0.020 A 39 GLN HBy H 1 1.959 0.020 A 39 GLN HBx H 1 1.929 0.020 A 39 GLN HE21 H 1 7.610 0.020 A 39 GLN HE22 H 1 6.857 0.020 A 39 GLN HGy H 1 2.339 0.020 A 39 GLN HGx H 1 2.280 0.020 A 39 GLN C C 13 175.100 0.3 A 39 GLN CA C 13 54.401 0.3 A 39 GLN CB C 13 31.535 0.3 A 39 GLN CG C 13 33.600 0.3 A 39 GLN N N 15 128.353 0.3 A 39 GLN NE2 N 15 112.735 0.3 A 41 PRO HA H 1 4.362 0.020 A 41 PRO HBy H 1 2.280 0.020 A 41 PRO HBx H 1 1.838 0.020 A 41 PRO C C 13 178.700 0.3 A 41 PRO CA C 13 64.055 0.3 A 41 PRO CB C 13 31.156 0.3 A 42 GLY H H 1 8.833 0.020 A 42 GLY HAy H 1 4.125 0.020 A 42 GLY HAx H 1 3.778 0.020 A 42 GLY C C 13 174.200 0.3 A 42 GLY CA C 13 45.555 0.3 A 42 GLY N N 15 114.178 0.3 A 43 SER H H 1 8.004 0.020 A 43 SER HA H 1 5.020 0.020 A 43 SER HBy H 1 3.816 0.020 A 43 SER HBx H 1 3.733 0.020 A 43 SER C C 13 172.932 0.3 A 43 SER CA C 13 56.395 0.3 A 43 SER CB C 13 65.645 0.3 A 43 SER N N 15 115.076 0.3 A 45 PRO HA H 1 4.410 0.020 A 45 PRO HBy H 1 2.280 0.020 A 45 PRO HBx H 1 1.900 0.020 A 45 PRO C C 13 175.951 0.3 A 45 PRO CA C 13 62.465 0.3 A 45 PRO CB C 13 33.630 0.3 A 46 THR H H 1 9.167 0.020 A 46 THR HA H 1 4.787 0.020 A 46 THR HB H 1 4.193 0.020 A 46 THR HG2% H 1 1.210 0.020 A 46 THR C C 13 174.186 0.3 A 46 THR CA C 13 60.152 0.3 A 46 THR CB C 13 70.632 0.3 A 46 THR CG2 C 13 20.812 0.3 A 46 THR N N 15 117.145 0.3 A 47 THR H H 1 8.974 0.020 A 47 THR HA H 1 4.128 0.020 A 47 THR HB H 1 4.003 0.020 A 47 THR HG2% H 1 1.041 0.020 A 47 THR C C 13 174.651 0.3 A 47 THR CA C 13 64.634 0.3 A 47 THR CB C 13 68.443 0.3 A 47 THR CG2 C 13 22.306 0.3 A 47 THR N N 15 123.928 0.3 A 48 VAL H H 1 8.995 0.020 A 48 VAL HA H 1 4.483 0.020 A 48 VAL HB H 1 1.699 0.020 A 48 VAL HGx% H 1 0.520 0.020 A 48 VAL HGy% H 1 0.790 0.020 A 48 VAL C C 13 172.591 0.3 A 48 VAL CA C 13 61.592 0.3 A 48 VAL CB C 13 33.268 0.3 A 48 VAL CG1 C 13 22.483 0.3 A 48 VAL CG2 C 13 19.851 0.3 A 48 VAL N N 15 121.483 0.3 A 49 ILE H H 1 7.282 0.020 A 49 ILE HA H 1 5.138 0.020 A 49 ILE HB H 1 1.937 0.020 A 49 ILE HD1% H 1 0.575 0.020 A 49 ILE HG1y H 1 1.320 0.020 A 49 ILE HG1x H 1 1.006 0.020 A 49 ILE HG2% H 1 0.768 0.020 A 49 ILE C C 13 174.511 0.3 A 49 ILE CA C 13 55.962 0.3 A 49 ILE CB C 13 41.300 0.3 A 49 ILE CD1 C 13 9.094 0.3 A 49 ILE CG1 C 13 27.400 0.3 A 49 ILE CG2 C 13 17.573 0.3 A 49 ILE N N 15 116.532 0.3 A 50 TYR H H 1 9.386 0.020 A 50 TYR HA H 1 5.134 0.020 A 50 TYR HBy H 1 3.045 0.020 A 50 TYR HBx H 1 2.780 0.020 A 50 TYR HDy H 1 6.767 0.020 A 50 TYR HDx H 1 6.587 0.020 A 50 TYR HEx H 1 6.304 0.020 A 50 TYR HEy H 1 6.400 0.020 A 50 TYR C C 13 172.600 0.3 A 50 TYR CA C 13 54.589 0.3 A 50 TYR CB C 13 41.200 0.3 A 50 TYR N N 15 122.768 0.3 A 51 GLU H H 1 9.167 0.020 A 51 GLU HA H 1 3.044 0.020 A 51 GLU HBy H 1 1.590 0.020 A 51 GLU HBx H 1 1.450 0.020 A 51 GLU HGy H 1 1.862 0.020 A 51 GLU HGx H 1 1.762 0.020 A 51 GLU C C 13 176.600 0.3 A 51 GLU CA C 13 57.190 0.3 A 51 GLU CB C 13 26.837 0.3 A 51 GLU CG C 13 35.789 0.3 A 51 GLU N N 15 115.947 0.3 A 52 ASP H H 1 8.940 0.020 A 52 ASP HA H 1 4.168 0.020 A 52 ASP HBy H 1 2.431 0.020 A 52 ASP HBx H 1 2.386 0.020 A 52 ASP C C 13 178.057 0.3 A 52 ASP CA C 13 59.575 0.3 A 52 ASP CB C 13 40.279 0.3 A 52 ASP N N 15 113.712 0.3 A 53 ASN H H 1 8.737 0.020 A 53 ASN HA H 1 4.463 0.020 A 53 ASN HBy H 1 3.188 0.020 A 53 ASN HBx H 1 2.589 0.020 A 53 ASN HD21 H 1 7.530 0.020 A 53 ASN HD22 H 1 6.828 0.020 A 53 ASN C C 13 176.000 0.3 A 53 ASN CA C 13 52.710 0.3 A 53 ASN CB C 13 39.556 0.3 A 53 ASN N N 15 115.088 0.3 A 53 ASN ND2 N 15 110.832 0.3 A 54 GLN H H 1 8.636 0.020 A 54 GLN HA H 1 4.400 0.020 A 54 GLN HBy H 1 1.950 0.020 A 54 GLN HBx H 1 1.321 0.020 A 54 GLN HE21 H 1 7.456 0.020 A 54 GLN HE22 H 1 6.788 0.020 A 54 GLN HGy H 1 2.278 0.020 A 54 GLN HGx H 1 2.042 0.020 A 54 GLN C C 13 174.100 0.3 A 54 GLN CA C 13 54.299 0.3 A 54 GLN CB C 13 28.499 0.3 A 54 GLN CG C 13 33.500 0.3 A 54 GLN N N 15 121.080 0.3 A 54 GLN NE2 N 15 115.062 0.3 A 55 ARG H H 1 8.539 0.020 A 55 ARG HA H 1 5.150 0.020 A 55 ARG HBy H 1 1.810 0.020 A 55 ARG HBx H 1 1.610 0.020 A 55 ARG HDy H 1 3.650 0.020 A 55 ARG HDx H 1 3.120 0.020 A 55 ARG HGy H 1 1.800 0.020 A 55 ARG HGx H 1 1.610 0.020 A 55 ARG HH12 H 1 6.680 0.020 A 55 ARG HH22 H 1 7.130 0.020 A 55 ARG C C 13 175.600 0.3 A 55 ARG CA C 13 52.565 0.3 A 55 ARG CB C 13 32.980 0.3 A 55 ARG CD C 13 43.700 0.3 A 55 ARG CG C 13 28.075 0.3 A 55 ARG N N 15 122.285 0.3 A 56 PRO HA H 1 4.370 0.020 A 56 PRO HBy H 1 2.360 0.020 A 56 PRO HBx H 1 1.840 0.020 A 56 PRO HD2 H 1 3.750 0.020 A 56 PRO C C 13 176.200 0.3 A 56 PRO CA C 13 62.405 0.3 A 56 PRO CB C 13 32.500 0.3 A 57 SER H H 1 8.554 0.020 A 57 SER HA H 1 4.250 0.020 A 57 SER HBy H 1 3.881 0.020 A 57 SER HBx H 1 3.880 0.020 A 57 SER C C 13 176.200 0.3 A 57 SER CA C 13 59.935 0.3 A 57 SER CB C 13 63.000 0.3 A 57 SER N N 15 116.392 0.3 A 58 GLY HAy H 1 4.188 0.020 A 58 GLY HAx H 1 3.698 0.020 A 58 GLY C C 13 174.186 0.3 A 58 GLY CA C 13 44.977 0.3 A 59 VAL H H 1 7.472 0.020 A 59 VAL HA H 1 4.373 0.020 A 59 VAL HB H 1 2.099 0.020 A 59 VAL HGx% H 1 0.964 0.020 A 59 VAL HGy% H 1 1.067 0.020 A 59 VAL C C 13 174.600 0.3 A 59 VAL CA C 13 59.801 0.3 A 59 VAL CB C 13 32.980 0.3 A 59 VAL CG1 C 13 22.697 0.3 A 59 VAL CG2 C 13 19.087 0.3 A 59 VAL N N 15 124.280 0.3 A 60 PRO HA H 1 4.530 0.020 A 60 PRO HBy H 1 2.640 0.020 A 60 PRO HBx H 1 2.050 0.020 A 60 PRO C C 13 176.500 0.3 A 60 PRO CA C 13 63.044 0.3 A 60 PRO CB C 13 33.131 0.3 A 61 ASP H H 1 8.498 0.020 A 61 ASP HA H 1 4.111 0.020 A 61 ASP HBy H 1 2.911 0.020 A 61 ASP HBx H 1 2.590 0.020 A 61 ASP C C 13 175.600 0.3 A 61 ASP CA C 13 55.239 0.3 A 61 ASP CB C 13 39.267 0.3 A 61 ASP N N 15 119.322 0.3 A 62 ARG H H 1 6.675 0.020 A 62 ARG HA H 1 4.090 0.020 A 62 ARG C C 13 175.626 0.3 A 62 ARG CA C 13 56.829 0.3 A 62 ARG CB C 13 29.222 0.3 A 62 ARG N N 15 114.708 0.3 A 63 PHE H H 1 7.670 0.020 A 63 PHE HA H 1 4.797 0.020 A 63 PHE HBy H 1 3.010 0.020 A 63 PHE HBx H 1 2.353 0.020 A 63 PHE HDy H 1 7.120 0.020 A 63 PHE HDx H 1 7.064 0.020 A 63 PHE HEy H 1 7.260 0.020 A 63 PHE HEx H 1 7.248 0.020 A 63 PHE HZ H 1 7.380 0.020 A 63 PHE C C 13 174.589 0.3 A 63 PHE CA C 13 57.856 0.3 A 63 PHE CB C 13 40.320 0.3 A 63 PHE N N 15 119.970 0.3 A 64 SER H H 1 8.862 0.020 A 64 SER HA H 1 4.784 0.020 A 64 SER HBy H 1 3.762 0.020 A 64 SER HBx H 1 3.652 0.020 A 64 SER C C 13 172.374 0.3 A 64 SER CA C 13 56.900 0.3 A 64 SER CB C 13 65.284 0.3 A 64 SER N N 15 114.719 0.3 A 65 GLY H H 1 8.796 0.020 A 65 GLY HAy H 1 5.403 0.020 A 65 GLY HAx H 1 3.688 0.020 A 65 GLY C C 13 172.498 0.3 A 65 GLY CA C 13 43.459 0.3 A 65 GLY N N 15 110.076 0.3 A 66 SER H H 1 8.661 0.020 A 66 SER HA H 1 4.778 0.020 A 66 SER HBy H 1 3.744 0.020 A 66 SER HBx H 1 3.714 0.020 A 66 SER C C 13 173.149 0.3 A 66 SER CA C 13 56.901 0.3 A 66 SER CB C 13 65.718 0.3 A 66 SER N N 15 113.017 0.3 A 67 ILE H H 1 8.501 0.020 A 67 ILE HA H 1 4.785 0.020 A 67 ILE HB H 1 1.970 0.020 A 67 ILE HD1% H 1 0.921 0.020 A 67 ILE HG1y H 1 1.540 0.020 A 67 ILE HG1x H 1 1.339 0.020 A 67 ILE HG2% H 1 0.856 0.020 A 67 ILE C C 13 174.372 0.3 A 67 ILE CA C 13 59.600 0.3 A 67 ILE CB C 13 40.400 0.3 A 67 ILE CD1 C 13 10.928 0.3 A 67 ILE CG1 C 13 26.900 0.3 A 67 ILE CG2 C 13 16.595 0.3 A 67 ILE N N 15 121.376 0.3 A 68 ASP H H 1 9.123 0.020 A 68 ASP HA H 1 5.059 0.020 A 68 ASP HBy H 1 2.893 0.020 A 68 ASP HBx H 1 2.454 0.020 A 68 ASP C C 13 176.060 0.3 A 68 ASP CA C 13 52.131 0.3 A 68 ASP CB C 13 42.014 0.3 A 68 ASP N N 15 125.956 0.3 A 70 SER HA H 1 4.333 0.020 A 70 SER HBy H 1 4.060 0.020 A 70 SER HBx H 1 4.030 0.020 A 70 SER C C 13 175.100 0.3 A 70 SER CA C 13 61.158 0.3 A 70 SER CB C 13 62.900 0.3 A 71 SER H H 1 7.369 0.020 A 71 SER HA H 1 4.613 0.020 A 71 SER HBy H 1 4.039 0.020 A 71 SER HBx H 1 3.730 0.020 A 71 SER C C 13 174.573 0.3 A 71 SER CA C 13 57.479 0.3 A 71 SER CB C 13 63.694 0.3 A 71 SER N N 15 113.903 0.3 A 72 ASN H H 1 8.071 0.020 A 72 ASN HA H 1 4.534 0.020 A 72 ASN HBy H 1 3.683 0.020 A 72 ASN HBx H 1 2.510 0.020 A 72 ASN C C 13 173.226 0.3 A 72 ASN CA C 13 53.649 0.3 A 72 ASN CB C 13 39.340 0.3 A 72 ASN N N 15 124.613 0.3 A 73 SER H H 1 8.116 0.020 A 73 SER HA H 1 5.592 0.020 A 73 SER HBy H 1 3.709 0.020 A 73 SER HBx H 1 3.616 0.020 A 73 SER C C 13 171.724 0.3 A 73 SER CA C 13 56.177 0.3 A 73 SER CB C 13 68.031 0.3 A 73 SER N N 15 108.967 0.3 A 74 ALA H H 1 9.231 0.020 A 74 ALA HA H 1 5.376 0.020 A 74 ALA HB% H 1 1.690 0.020 A 74 ALA C C 13 176.571 0.3 A 74 ALA CA C 13 49.714 0.3 A 74 ALA CB C 13 23.585 0.3 A 74 ALA N N 15 125.224 0.3 A 75 SER H H 1 8.909 0.020 A 75 SER HA H 1 5.696 0.020 A 75 SER HBy H 1 3.454 0.020 A 75 SER HBx H 1 3.394 0.020 A 75 SER C C 13 171.569 0.3 A 75 SER CA C 13 57.624 0.3 A 75 SER CB C 13 66.368 0.3 A 75 SER N N 15 114.085 0.3 A 76 LEU H H 1 8.322 0.020 A 76 LEU HA H 1 4.388 0.020 A 76 LEU HBy H 1 0.310 0.020 A 76 LEU HBx H 1 0.256 0.020 A 76 LEU HDx% H 1 0.207 0.020 A 76 LEU HDy% H 1 -1.520 0.020 A 76 LEU HG H 1 0.845 0.020 A 76 LEU C C 13 174.700 0.3 A 76 LEU CA C 13 52.500 0.3 A 76 LEU CB C 13 41.394 0.3 A 76 LEU CD1 C 13 27.300 0.3 A 76 LEU CD2 C 13 23.600 0.3 A 76 LEU CG C 13 26.800 0.3 A 76 LEU N N 15 127.649 0.3 A 77 THR H H 1 9.015 0.020 A 77 THR HA H 1 4.954 0.020 A 77 THR HB H 1 3.574 0.020 A 77 THR HG2% H 1 0.811 0.020 A 77 THR C C 13 173.000 0.3 A 77 THR CA C 13 61.165 0.3 A 77 THR CB C 13 69.910 0.3 A 77 THR CG2 C 13 21.300 0.3 A 77 THR N N 15 124.468 0.3 A 78 ILE H H 1 8.674 0.020 A 78 ILE HA H 1 4.240 0.020 A 78 ILE HB H 1 1.241 0.020 A 78 ILE HD1% H 1 0.124 0.020 A 78 ILE HG1y H 1 0.819 0.020 A 78 ILE HG1x H 1 0.789 0.020 A 78 ILE HG2% H 1 -0.029 0.020 A 78 ILE C C 13 174.697 0.3 A 78 ILE CA C 13 60.300 0.3 A 78 ILE CB C 13 39.300 0.3 A 78 ILE CD1 C 13 13.610 0.3 A 78 ILE CG1 C 13 26.000 0.3 A 78 ILE CG2 C 13 17.066 0.3 A 78 ILE N N 15 127.006 0.3 A 79 SER H H 1 8.495 0.020 A 79 SER HA H 1 4.800 0.020 A 79 SER HBy H 1 3.700 0.020 A 79 SER HBx H 1 3.613 0.020 A 79 SER C C 13 173.800 0.3 A 79 SER CA C 13 56.540 0.3 A 79 SER CB C 13 64.273 0.3 A 79 SER N N 15 121.450 0.3 A 80 GLY H H 1 7.728 0.020 A 80 GLY HAy H 1 3.585 0.020 A 80 GLY HAx H 1 3.333 0.020 A 80 GLY C C 13 174.356 0.3 A 80 GLY CA C 13 47.144 0.3 A 80 GLY N N 15 110.237 0.3 A 81 LEU H H 1 7.954 0.020 A 81 LEU HA H 1 3.667 0.020 A 81 LEU HBy H 1 1.425 0.020 A 81 LEU HBx H 1 1.420 0.020 A 81 LEU HDx% H 1 0.663 0.020 A 81 LEU HDy% H 1 0.728 0.020 A 81 LEU HG H 1 1.394 0.020 A 81 LEU C C 13 174.248 0.3 A 81 LEU CA C 13 56.600 0.3 A 81 LEU CB C 13 43.827 0.3 A 81 LEU CD1 C 13 26.500 0.3 A 81 LEU CD2 C 13 25.800 0.3 A 81 LEU CG C 13 26.700 0.3 A 81 LEU N N 15 117.160 0.3 A 82 LYS H H 1 9.026 0.020 A 82 LYS HA H 1 4.839 0.020 A 82 LYS HBy H 1 2.143 0.020 A 82 LYS HBx H 1 1.540 0.020 A 82 LYS HDy H 1 1.670 0.020 A 82 LYS HDx H 1 1.640 0.020 A 82 LYS HEx H 1 2.893 0.020 A 82 LYS HEy H 1 3.010 0.020 A 82 LYS HGy H 1 1.617 0.020 A 82 LYS HGx H 1 1.366 0.020 A 82 LYS C C 13 177.252 0.3 A 82 LYS CA C 13 53.649 0.3 A 82 LYS CB C 13 36.087 0.3 A 82 LYS CD C 13 29.200 0.3 A 82 LYS CE C 13 42.400 0.3 A 82 LYS CG C 13 24.477 0.3 A 82 LYS N N 15 125.252 0.3 A 83 THR H H 1 8.806 0.020 A 83 THR HA H 1 4.159 0.020 A 83 THR HB H 1 3.797 0.020 A 83 THR HG2% H 1 1.298 0.020 A 83 THR C C 13 177.237 0.3 A 83 THR CA C 13 67.823 0.3 A 83 THR CB C 13 66.442 0.3 A 83 THR CG2 C 13 21.808 0.3 A 83 THR N N 15 116.297 0.3 A 84 GLU H H 1 8.798 0.020 A 84 GLU HA H 1 4.305 0.020 A 84 GLU HBy H 1 2.140 0.020 A 84 GLU HBx H 1 2.060 0.020 A 84 GLU HGy H 1 2.177 0.020 A 84 GLU HGx H 1 2.170 0.020 A 84 GLU C C 13 175.394 0.3 A 84 GLU CA C 13 57.985 0.3 A 84 GLU CB C 13 28.427 0.3 A 84 GLU CG C 13 35.711 0.3 A 84 GLU N N 15 118.205 0.3 A 85 ASP H H 1 8.101 0.020 A 85 ASP HA H 1 4.568 0.020 A 85 ASP HBy H 1 2.900 0.020 A 85 ASP HBx H 1 2.630 0.020 A 85 ASP C C 13 177.407 0.3 A 85 ASP CA C 13 54.509 0.3 A 85 ASP CB C 13 40.430 0.3 A 85 ASP N N 15 119.742 0.3 A 86 GLU H H 1 7.518 0.020 A 86 GLU HA H 1 4.120 0.020 A 86 GLU HBy H 1 2.226 0.020 A 86 GLU HBx H 1 2.132 0.020 A 86 GLU HGy H 1 3.100 0.020 A 86 GLU HGx H 1 2.159 0.020 A 86 GLU C C 13 174.914 0.3 A 86 GLU CA C 13 58.852 0.3 A 86 GLU CB C 13 29.655 0.3 A 86 GLU CG C 13 36.376 0.3 A 86 GLU N N 15 121.665 0.3 A 87 ALA H H 1 8.077 0.020 A 87 ALA HA H 1 4.362 0.020 A 87 ALA HB% H 1 1.037 0.020 A 87 ALA C C 13 174.511 0.3 A 87 ALA CA C 13 51.553 0.3 A 87 ALA CB C 13 19.833 0.3 A 87 ALA N N 15 126.586 0.3 A 88 ASP H H 1 7.623 0.020 A 88 ASP HA H 1 5.727 0.020 A 88 ASP HBy H 1 2.530 0.020 A 88 ASP HBx H 1 2.084 0.020 A 88 ASP C C 13 175.300 0.3 A 88 ASP CA C 13 53.504 0.3 A 88 ASP CB C 13 43.025 0.3 A 88 ASP N N 15 117.376 0.3 A 89 TYR H H 1 8.974 0.020 A 89 TYR HA H 1 5.730 0.020 A 89 TYR HBy H 1 2.870 0.020 A 89 TYR HBx H 1 2.730 0.020 A 89 TYR HD1 H 1 6.980 0.020 A 89 TYR HD2 H 1 6.980 0.020 A 89 TYR HE1 H 1 6.880 0.020 A 89 TYR HE2 H 1 6.880 0.020 A 89 TYR C C 13 176.697 0.3 A 89 TYR CA C 13 56.323 0.3 A 89 TYR CB C 13 42.561 0.3 A 89 TYR N N 15 117.753 0.3 A 90 TYR H H 1 9.305 0.020 A 90 TYR HA H 1 5.246 0.020 A 90 TYR HBy H 1 3.070 0.020 A 90 TYR HBx H 1 2.720 0.020 A 90 TYR HDx H 1 6.873 0.020 A 90 TYR HDy H 1 6.873 0.020 A 90 TYR HE1 H 1 6.670 0.020 A 90 TYR HE2 H 1 6.670 0.020 A 90 TYR C C 13 175.208 0.3 A 90 TYR CA C 13 57.300 0.3 A 90 TYR CB C 13 42.881 0.3 A 90 TYR N N 15 120.755 0.3 A 91 CYS H H 1 7.739 0.020 A 91 CYS HA H 1 5.000 0.020 A 91 CYS C C 13 173.551 0.3 A 91 CYS CA C 13 53.288 0.3 A 91 CYS CB C 13 44.837 0.3 A 91 CYS N N 15 117.771 0.3 A 92 GLN H H 1 8.410 0.020 A 92 GLN HA H 1 4.814 0.020 A 92 GLN HBy H 1 1.310 0.020 A 92 GLN HBx H 1 1.280 0.020 A 92 GLN HGx H 1 1.630 0.020 A 92 GLN HGy H 1 1.650 0.020 A 92 GLN C C 13 173.800 0.3 A 92 GLN CA C 13 54.500 0.3 A 92 GLN CB C 13 32.200 0.3 A 92 GLN CG C 13 32.400 0.3 A 92 GLN N N 15 121.161 0.3 A 93 SER H H 1 8.819 0.020 A 93 SER HA H 1 4.327 0.020 A 93 SER HBy H 1 3.473 0.020 A 93 SER HBx H 1 3.361 0.020 A 93 SER C C 13 173.800 0.3 A 93 SER CA C 13 55.255 0.3 A 93 SER CB C 13 64.923 0.3 A 93 SER N N 15 119.790 0.3 A 94 TYR HA H 1 5.660 0.020 A 94 TYR HBy H 1 2.891 0.020 A 94 TYR HBx H 1 2.343 0.020 A 94 TYR HD1 H 1 6.833 0.020 A 94 TYR HD2 H 1 6.833 0.020 A 94 TYR HE1 H 1 6.910 0.020 A 94 TYR HE2 H 1 6.910 0.020 A 94 TYR C C 13 173.907 0.3 A 94 TYR CA C 13 55.673 0.3 A 94 TYR CB C 13 43.242 0.3 A 95 ASP H H 1 8.408 0.020 A 95 ASP HA H 1 4.553 0.020 A 95 ASP HBy H 1 3.457 0.020 A 95 ASP HBx H 1 2.709 0.020 A 95 ASP C C 13 178.785 0.3 A 95 ASP CA C 13 51.625 0.3 A 95 ASP CB C 13 41.869 0.3 A 95 ASP N N 15 118.148 0.3 A 96 SER HA H 1 4.208 0.020 A 96 SER HBy H 1 3.910 0.020 A 96 SER HBx H 1 3.880 0.020 A 96 SER C C 13 175.400 0.3 A 96 SER CA C 13 60.297 0.3 A 96 SER CB C 13 62.393 0.3 A 97 SER H H 1 8.204 0.020 A 97 SER HA H 1 4.541 0.020 A 97 SER HBy H 1 3.720 0.020 A 97 SER HBx H 1 3.540 0.020 A 97 SER C C 13 172.932 0.3 A 97 SER CA C 13 57.624 0.3 A 97 SER CB C 13 62.560 0.3 A 97 SER N N 15 118.409 0.3 A 98 ASN H H 1 8.350 0.020 A 98 ASN HA H 1 4.266 0.020 A 98 ASN HBy H 1 3.023 0.020 A 98 ASN HBx H 1 2.686 0.020 A 98 ASN HD21 H 1 7.281 0.020 A 98 ASN HD22 H 1 6.576 0.020 A 98 ASN C C 13 173.938 0.3 A 98 ASN CA C 13 54.425 0.3 A 98 ASN CB C 13 37.533 0.3 A 98 ASN N N 15 115.462 0.3 A 98 ASN ND2 N 15 112.221 0.3 A 99 HIS H H 1 8.448 0.020 A 99 HIS HA H 1 5.040 0.020 A 99 HIS HBy H 1 3.350 0.020 A 99 HIS HBx H 1 3.150 0.020 A 99 HIS HD2 H 1 7.230 0.020 A 99 HIS HE1 H 1 8.560 0.020 A 99 HIS C C 13 175.100 0.3 A 99 HIS CA C 13 54.600 0.3 A 99 HIS CB C 13 28.700 0.3 A 99 HIS N N 15 117.924 0.3 A 100 VAL HA H 1 3.692 0.020 A 100 VAL HB H 1 1.950 0.020 A 100 VAL HGx% H 1 0.971 0.020 A 100 VAL HGy% H 1 0.605 0.020 A 100 VAL C C 13 173.425 0.3 A 100 VAL CA C 13 61.165 0.3 A 100 VAL CB C 13 31.823 0.3 A 100 VAL CG1 C 13 22.613 0.3 A 100 VAL CG2 C 13 21.696 0.3 A 101 VAL H H 1 7.979 0.020 A 101 VAL HA H 1 4.126 0.020 A 101 VAL HB H 1 1.615 0.020 A 101 VAL HGx% H 1 0.565 0.020 A 101 VAL HGy% H 1 1.203 0.020 A 101 VAL C C 13 173.800 0.3 A 101 VAL CA C 13 60.128 0.3 A 101 VAL CB C 13 35.076 0.3 A 101 VAL CG1 C 13 21.500 0.3 A 101 VAL CG2 C 13 21.174 0.3 A 101 VAL N N 15 127.789 0.3 A 102 PHE HA H 1 4.888 0.020 A 102 PHE HBy H 1 3.426 0.020 A 102 PHE HBx H 1 2.913 0.020 A 102 PHE C C 13 174.500 0.3 A 103 GLY H H 1 9.104 0.020 A 103 GLY HAy H 1 4.316 0.020 A 103 GLY HAx H 1 4.207 0.020 A 103 GLY C C 13 174.516 0.3 A 103 GLY CA C 13 44.832 0.3 A 103 GLY N N 15 109.758 0.3 A 105 GLY H H 1 7.023 0.020 A 105 GLY HAy H 1 3.886 0.020 A 105 GLY HAx H 1 3.127 0.020 A 105 GLY C C 13 172.226 0.3 A 105 GLY CA C 13 45.555 0.3 A 105 GLY N N 15 105.775 0.3 A 106 THR H H 1 8.148 0.020 A 106 THR HA H 1 4.730 0.020 A 106 THR HB H 1 3.645 0.020 A 106 THR HG2% H 1 1.008 0.020 A 106 THR C C 13 173.600 0.3 A 106 THR CA C 13 60.804 0.3 A 106 THR CB C 13 72.945 0.3 A 106 THR CG2 C 13 22.553 0.3 A 106 THR N N 15 119.104 0.3 A 107 LYS H H 1 8.236 0.020 A 107 LYS HA H 1 4.779 0.020 A 107 LYS HBy H 1 1.773 0.020 A 107 LYS HBx H 1 1.743 0.020 A 107 LYS HDy H 1 1.690 0.020 A 107 LYS HDx H 1 1.660 0.020 A 107 LYS HE2 H 1 2.970 0.020 A 107 LYS HE3 H 1 2.970 0.020 A 107 LYS HGy H 1 1.320 0.020 A 107 LYS HGx H 1 1.290 0.020 A 107 LYS C C 13 174.777 0.3 A 107 LYS CA C 13 55.962 0.3 A 107 LYS CB C 13 32.200 0.3 A 107 LYS CD C 13 28.400 0.3 A 107 LYS CE C 13 41.800 0.3 A 107 LYS CG C 13 24.100 0.3 A 107 LYS N N 15 128.712 0.3 A 108 LEU H H 1 8.894 0.020 A 108 LEU HA H 1 5.372 0.020 A 108 LEU HBy H 1 2.446 0.020 A 108 LEU HBx H 1 1.256 0.020 A 108 LEU HDx% H 1 0.760 0.020 A 108 LEU HDy% H 1 0.729 0.020 A 108 LEU HG H 1 1.410 0.020 A 108 LEU C C 13 175.301 0.3 A 108 LEU CA C 13 54.100 0.3 A 108 LEU CB C 13 44.300 0.3 A 108 LEU CD1 C 13 26.200 0.3 A 108 LEU CD2 C 13 25.400 0.3 A 108 LEU CG C 13 28.500 0.3 A 108 LEU N N 15 133.744 0.3 A 109 THR H H 1 8.634 0.020 A 109 THR HA H 1 4.527 0.020 A 109 THR HB H 1 3.969 0.020 A 109 THR HG2% H 1 1.125 0.020 A 109 THR C C 13 172.500 0.3 A 109 THR CA C 13 61.021 0.3 A 109 THR CB C 13 70.705 0.3 A 109 THR CG2 C 13 21.538 0.3 A 109 THR N N 15 122.592 0.3 A 110 VAL H H 1 8.831 0.020 A 110 VAL HA H 1 4.846 0.020 A 110 VAL HB H 1 2.010 0.020 A 110 VAL HGx% H 1 0.768 0.020 A 110 VAL HGy% H 1 0.820 0.020 A 110 VAL C C 13 175.487 0.3 A 110 VAL CA C 13 60.731 0.3 A 110 VAL CB C 13 31.824 0.3 A 110 VAL CG1 C 13 21.200 0.3 A 110 VAL CG2 C 13 21.000 0.3 A 110 VAL N N 15 126.117 0.3 A 111 LEU H H 1 8.120 0.020 A 111 LEU HA H 1 4.022 0.020 A 111 LEU HBy H 1 1.510 0.020 A 111 LEU HBx H 1 1.380 0.020 A 111 LEU HDx% H 1 0.769 0.020 A 111 LEU HDy% H 1 0.776 0.020 A 111 LEU HG H 1 1.328 0.020 A 111 LEU C C 13 181.400 0.3 A 111 LEU CA C 13 56.900 0.3 A 111 LEU CB C 13 43.900 0.3 A 111 LEU CD1 C 13 24.697 0.3 A 111 LEU CD2 C 13 22.900 0.3 A 111 LEU CG C 13 27.300 0.3 A 111 LEU N N 15 134.126 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 ASN HD22 A 1 ASN HD21 1.0 1.8 4.54 2 2 A 1 ASN HD22 A 1 ASN HD21 1.0 1.8 4.59 3 3 A 1 ASN HD22 A 97 SER HBy 1.0 1.8 4.91 4 4 A 1 ASN HD22 A 97 SER HBy 1.0 1.8 4.98 5 5 A 1 ASN HD21 A 97 SER HBy 1.0 1.8 4.99 6 6 A 1 ASN HD22 A 1 ASN HBy 1.0 1.8 5.02 7 7 A 1 ASN HD22 A 1 ASN HBy 1.0 1.8 5.12 8 8 A 1 ASN HD21 A 1 ASN HBy 1.0 1.8 5.18 9 9 A 1 ASN HD21 A 97 SER HBy 1.0 1.8 5.25 10 10 A 1 ASN HD21 A 97 SER HA 1.0 1.8 5.45 11 11 A 1 ASN HD21 A 2 PHE HA 1.0 1.8 5.49 12 12 A 1 ASN HD22 A 2 PHE HA 1.0 1.8 5.56 13 13 A 1 ASN HD22 A 2 PHE HA 1.0 1.8 5.60 14 14 A 3 MET H A 25 SER HA 1.0 1.8 4.81 15 15 A 3 MET H A 3 MET HBy 1.0 1.8 5.08 16 16 A 3 MET H A 3 MET HGx 1.0 1.8 5.22 17 17 A 3 MET H A 3 MET HGy 1.0 1.8 5.22 18 18 A 3 MET H A 2 PHE HBy 1.0 1.8 5.24 19 19 A 3 MET H A 26 SER HBy 1.0 1.8 5.27 20 20 A 4 LEU H A 5 THR HA 1.0 1.8 4.87 21 21 A 3 MET HBy A 4 LEU H 1.0 1.8 5.03 22 22 A 4 LEU H A 101 VAL HGx% 1.0 1.8 5.26 23 23 A 4 LEU H A 4 LEU HBy 1.0 1.8 5.31 24 24 A 4 LEU H A 4 LEU HG 1.0 1.8 5.46 25 25 A 4 LEU H A 4 LEU HG 1.0 1.8 5.46 26 26 A 4 LEU H A 4 LEU HA 1.0 1.8 5.51 27 27 A 4 LEU H A 4 LEU HBx 1.0 1.8 5.61 28 28 A 5 THR HB A 5 THR HG2% 1.0 1.8 4.37 29 29 A 4 LEU HA A 5 THR H 1.0 1.8 4.67 30 30 A 5 THR HB A 5 THR HG2% 1.0 1.8 4.69 31 31 A 5 THR HA A 5 THR HG2% 1.0 1.8 4.77 32 32 A 5 THR HA A 5 THR HG2% 1.0 1.8 4.80 33 33 A 5 THR HB A 5 THR H 1.0 1.8 4.85 34 34 A 5 THR HG2% A 5 THR H 1.0 1.8 4.87 35 35 A 5 THR HA A 6 GLN H 1.0 1.8 4.99 36 36 A 5 THR HG2% A 23 THR H 1.0 1.8 4.99 37 37 A 5 THR HB A 5 THR HG2% 1.0 1.8 5.10 38 38 A 5 THR HB A 5 THR HG2% 1.0 1.8 5.10 39 39 A 4 LEU HG A 5 THR H 1.0 1.8 5.11 40 40 A 5 THR H A 23 THR H 1.0 1.8 5.12 41 41 A 5 THR HA A 5 THR HG2% 1.0 1.8 5.21 42 42 A 5 THR HA A 5 THR HB 1.0 1.8 5.23 43 43 A 5 THR HA A 5 THR HB 1.0 1.8 5.46 44 44 A 6 GLN HE22 A 6 GLN HE21 1.0 1.8 4.88 45 45 A 6 GLN HA A 23 THR HB 1.0 1.8 4.94 46 46 A 6 GLN HA A 23 THR HB 1.0 1.8 4.94 47 47 A 6 GLN HE22 A 6 GLN HE21 1.0 1.8 5.03 48 48 A 5 THR HA A 6 GLN HA 1.0 1.8 5.28 49 49 A 6 GLN HE22 A 90 TYR HA 1.0 1.8 5.30 50 50 A 6 GLN HE21 A 20 ILE HG2% 1.0 1.8 5.33 51 51 A 6 GLN HE21 A 6 GLN HBy 1.0 1.8 5.34 52 52 A 6 GLN HE22 A 6 GLN HBy 1.0 1.8 5.37 53 53 A 6 GLN HE22 A 20 ILE HG2% 1.0 1.8 5.41 54 54 A 5 THR HA A 6 GLN H 1.0 1.8 5.41 55 55 A 6 GLN HE21 A 36 TRP HZ3 1.0 1.8 5.47 56 56 A 6 GLN HE22 A 106 THR HB 1.0 1.8 5.49 57 57 A 6 GLN HA A 22 CYS HBx 1.0 1.8 5.50 58 58 A 6 GLN H A 6 GLN HGx 1.0 1.8 5.50 59 59 A 5 THR H A 6 GLN H 1.0 1.8 5.54 60 60 A 6 GLN HA A 21 SER H 1.0 1.8 5.58 61 61 A 5 THR HG2% A 6 GLN H 1.0 1.8 5.59 62 62 A 6 GLN HA A 6 GLN HBy 1.0 1.8 5.60 63 63 A 6 GLN HE21 A 103 GLY HAx 1.0 1.8 5.60 64 64 A 5 THR HG2% A 6 GLN H 1.0 1.8 5.60 65 65 A 6 GLN HE21 A 6 GLN HBy 1.0 1.8 5.66 66 66 A 9 SER H A 8 HIS HBy 1.0 1.8 4.61 67 67 A 9 SER HA A 9 SER HBx 1.0 1.8 4.63 68 68 A 9 SER HBx A 107 LYS HBy 1.0 1.8 4.70 69 68 A 9 SER HBx A 107 LYS HBx 1.0 1.8 4.70 70 69 A 9 SER H A 9 SER HBx 1.0 1.8 4.71 71 70 A 9 SER HBx A 107 LYS HBy 1.0 1.8 4.75 72 70 A 9 SER HBx A 107 LYS HBx 1.0 1.8 4.75 73 71 A 9 SER HA A 10 VAL H 1.0 1.8 4.80 74 72 A 9 SER HA A 106 THR HG2% 1.0 1.8 4.84 75 73 A 9 SER H A 8 HIS HA 1.0 1.8 4.86 76 74 A 9 SER H A 9 SER HA 1.0 1.8 4.87 77 75 A 9 SER HA A 9 SER HBx 1.0 1.8 5.00 78 76 A 9 SER HA A 107 LYS HBy 1.0 1.8 5.04 79 76 A 9 SER HA A 107 LYS HBx 1.0 1.8 5.04 80 77 A 9 SER HA A 9 SER HBx 1.0 1.8 5.07 81 78 A 9 SER HA A 106 THR HG2% 1.0 1.8 5.09 82 79 A 9 SER HBx A 107 LYS HBy 1.0 1.8 5.09 83 79 A 9 SER HBx A 107 LYS HBx 1.0 1.8 5.09 84 80 A 9 SER H A 9 SER HBy 1.0 1.8 5.11 85 81 A 9 SER HA A 106 THR HA 1.0 1.8 5.12 86 82 A 9 SER HBx A 107 LYS HBy 1.0 1.8 5.13 87 82 A 9 SER HBx A 107 LYS HBx 1.0 1.8 5.13 88 83 A 9 SER HA A 9 SER HBx 1.0 1.8 5.16 89 84 A 9 SER H A 106 THR HG2% 1.0 1.8 5.16 90 85 A 9 SER HA A 9 SER HBx 1.0 1.8 5.19 91 86 A 9 SER HA A 106 THR HG2% 1.0 1.8 5.23 92 87 A 9 SER HA A 9 SER HBx 1.0 1.8 5.26 93 88 A 9 SER H A 8 HIS HE1 1.0 1.8 5.34 94 89 A 9 SER HA A 10 VAL HB 1.0 1.8 5.35 95 90 A 9 SER HA A 106 THR HG2% 1.0 1.8 5.37 96 91 A 9 SER HA A 107 LYS HBy 1.0 1.8 5.40 97 91 A 9 SER HA A 107 LYS HBx 1.0 1.8 5.40 98 92 A 9 SER HBx A 107 LYS HDy 1.0 1.8 5.42 99 92 A 9 SER HBx A 107 LYS HDx 1.0 1.8 5.42 100 93 A 9 SER HA A 107 LYS HBy 1.0 1.8 5.44 101 93 A 9 SER HA A 107 LYS HBx 1.0 1.8 5.44 102 94 A 9 SER HA A 106 THR HA 1.0 1.8 5.50 103 95 A 10 VAL HB A 10 VAL HGy% 1.0 1.8 4.49 104 96 A 10 VAL HB A 10 VAL HGx% 1.0 1.8 4.65 105 97 A 10 VAL HB A 10 VAL HGy% 1.0 1.8 4.65 106 98 A 9 SER HA A 10 VAL H 1.0 1.8 4.71 107 99 A 10 VAL HB A 10 VAL HGy% 1.0 1.8 4.74 108 100 A 10 VAL HA A 11 SER H 1.0 1.8 4.75 109 101 A 10 VAL HB A 10 VAL HGy% 1.0 1.8 4.84 110 102 A 10 VAL HB A 10 VAL HGx% 1.0 1.8 4.85 111 103 A 10 VAL HB A 10 VAL HGy% 1.0 1.8 4.85 112 104 A 10 VAL HGx% A 10 VAL HA 1.0 1.8 4.86 113 105 A 10 VAL HB A 10 VAL HGy% 1.0 1.8 4.86 114 106 A 9 SER HBx A 10 VAL H 1.0 1.8 4.88 115 107 A 10 VAL HGy% A 18 VAL HB 1.0 1.8 5.04 116 108 A 10 VAL H A 10 VAL HGy% 1.0 1.8 5.05 117 109 A 10 VAL HGy% A 10 VAL HA 1.0 1.8 5.08 118 110 A 10 VAL HB A 10 VAL HA 1.0 1.8 5.29 119 111 A 10 VAL H A 106 THR HG2% 1.0 1.8 5.29 120 112 A 10 VAL HB A 10 VAL HA 1.0 1.8 5.30 121 113 A 10 VAL H A 10 VAL HB 1.0 1.8 5.30 122 114 A 10 VAL H A 10 VAL HA 1.0 1.8 5.31 123 115 A 10 VAL HB A 10 VAL HA 1.0 1.8 5.32 124 116 A 10 VAL H A 107 LYS H 1.0 1.8 5.32 125 117 A 10 VAL HGy% A 10 VAL HA 1.0 1.8 5.36 126 118 A 10 VAL HB A 11 SER H 1.0 1.8 5.66 127 119 A 10 VAL HA A 11 SER H 1.0 1.8 4.27 128 120 A 10 VAL HGx% A 11 SER H 1.0 1.8 4.52 129 121 A 11 SER HA A 12 GLU H 1.0 1.8 4.69 130 122 A 11 SER HA A 108 LEU HDx% 1.0 1.8 4.70 131 123 A 10 VAL HGy% A 11 SER H 1.0 1.8 4.76 132 124 A 10 VAL HB A 11 SER H 1.0 1.8 4.77 133 125 A 11 SER HA A 11 SER HBy 1.0 1.8 4.79 134 126 A 11 SER H A 11 SER HBy 1.0 1.8 4.81 135 127 A 11 SER H A 11 SER HBy 1.0 1.8 4.81 136 128 A 11 SER H A 11 SER HA 1.0 1.8 4.86 137 129 A 11 SER HA A 11 SER HBy 1.0 1.8 4.93 138 130 A 11 SER HA A 108 LEU HDx% 1.0 1.8 5.04 139 131 A 11 SER HBy A 111 LEU HG 1.0 1.8 5.07 140 132 A 11 SER H A 11 SER HBy 1.0 1.8 5.07 141 133 A 11 SER HA A 109 THR H 1.0 1.8 5.09 142 134 A 11 SER H A 109 THR H 1.0 1.8 5.09 143 135 A 10 VAL H A 11 SER H 1.0 1.8 5.09 144 136 A 11 SER HA A 11 SER HBx 1.0 1.8 5.11 145 137 A 11 SER HA A 11 SER HBy 1.0 1.8 5.14 146 138 A 11 SER HA A 11 SER HBx 1.0 1.8 5.19 147 139 A 11 SER HA A 11 SER HBy 1.0 1.8 5.19 148 140 A 11 SER HA A 108 LEU HDx% 1.0 1.8 5.25 149 141 A 11 SER HBy A 109 THR HG2% 1.0 1.8 5.25 150 142 A 11 SER HA A 109 THR HB 1.0 1.8 5.28 151 143 A 11 SER HA A 108 LEU HDx% 1.0 1.8 5.30 152 144 A 11 SER HBy A 111 LEU HG 1.0 1.8 5.30 153 145 A 11 SER HA A 12 GLU H 1.0 1.8 4.38 154 146 A 12 GLU H A 11 SER HBy 1.0 1.8 4.74 155 147 A 12 GLU H A 108 LEU HG 1.0 1.8 4.82 156 148 A 12 GLU H A 110 VAL HA 1.0 1.8 4.95 157 149 A 12 GLU HBy A 18 VAL HGy% 1.0 1.8 4.96 158 150 A 12 GLU HBy A 81 LEU HDy% 1.0 1.8 4.96 159 151 A 12 GLU H A 12 GLU HBx 1.0 1.8 4.97 160 152 A 12 GLU HBx A 12 GLU HA 1.0 1.8 5.01 161 153 A 12 GLU H A 12 GLU HBy 1.0 1.8 5.01 162 154 A 12 GLU HA A 111 LEU HDx% 1.0 1.8 5.05 163 155 A 18 VAL HGy% A 12 GLU HGy 1.0 1.8 5.05 164 156 A 12 GLU HBx A 12 GLU HGy 1.0 1.8 5.09 165 157 A 12 GLU HBy A 12 GLU HGy 1.0 1.8 5.11 166 158 A 12 GLU H A 109 THR H 1.0 1.8 5.11 167 159 A 12 GLU HBx A 12 GLU HGy 1.0 1.8 5.13 168 160 A 12 GLU HA A 111 LEU HDx% 1.0 1.8 5.15 169 161 A 18 VAL HGy% A 12 GLU HGy 1.0 1.8 5.21 170 162 A 12 GLU H A 109 THR HB 1.0 1.8 5.21 171 163 A 12 GLU HGx A 13 SER H 1.0 1.8 5.23 172 164 A 12 GLU HBy A 12 GLU HA 1.0 1.8 5.24 173 165 A 12 GLU HBy A 12 GLU HA 1.0 1.8 5.25 174 166 A 12 GLU HGy A 13 SER H 1.0 1.8 5.30 175 167 A 12 GLU HBy A 12 GLU HGy 1.0 1.8 5.36 176 168 A 12 GLU H A 13 SER H 1.0 1.8 5.37 177 169 A 12 GLU HBy A 13 SER H 1.0 1.8 5.40 178 170 A 12 GLU H A 12 GLU HGy 1.0 1.8 5.69 179 171 A 12 GLU HBx A 13 SER H 1.0 1.8 4.67 180 172 A 13 SER H A 13 SER HBx 1.0 1.8 4.67 181 173 A 12 GLU HBy A 13 SER H 1.0 1.8 4.71 182 174 A 111 LEU HDx% A 13 SER H 1.0 1.8 4.82 183 175 A 13 SER H A 111 LEU HA 1.0 1.8 4.83 184 176 A 13 SER HA A 110 VAL HGx% 1.0 1.8 4.98 185 177 A 13 SER H A 13 SER HA 1.0 1.8 5.06 186 178 A 13 SER HA A 111 LEU HBx 1.0 1.8 5.17 187 179 A 111 LEU HA A 13 SER HA 1.0 1.8 5.18 188 180 A 13 SER HA A 111 LEU HBx 1.0 1.8 5.25 189 181 A 13 SER HA A 110 VAL HGx% 1.0 1.8 5.33 190 182 A 13 SER HBx A 111 LEU HBy 1.0 1.8 5.36 191 183 A 13 SER HA A 13 SER HBy 1.0 1.8 5.36 192 184 A 13 SER H A 13 SER HBx 1.0 1.8 5.39 193 185 A 12 GLU H A 13 SER H 1.0 1.8 5.49 194 186 A 13 SER HA A 110 VAL HGx% 1.0 1.8 5.52 195 187 A 13 SER HA A 110 VAL HGx% 1.0 1.8 5.55 196 188 A 13 SER H A 13 SER HBy 1.0 1.8 5.55 197 189 A 81 LEU HDy% A 14 PRO HA 1.0 1.8 4.92 198 190 A 14 PRO HA A 81 LEU HBy 1.0 1.8 4.98 199 190 A 14 PRO HA A 81 LEU HBx 1.0 1.8 4.98 200 191 A 14 PRO HA A 81 LEU HG 1.0 1.8 4.98 201 192 A 14 PRO HA A 14 PRO HBy 1.0 1.8 5.34 202 193 A 14 PRO HA A 15 GLY H 1.0 1.8 5.35 203 194 A 14 PRO HA A 14 PRO HBy 1.0 1.8 5.48 204 195 A 14 PRO HA A 81 LEU HBy 1.0 1.8 5.52 205 195 A 14 PRO HA A 81 LEU HBx 1.0 1.8 5.52 206 196 A 14 PRO HA A 15 GLY H 1.0 1.8 4.69 207 197 A 15 GLY H A 81 LEU HBy 1.0 1.8 4.82 208 197 A 81 LEU HBx A 15 GLY H 1.0 1.8 4.82 209 198 A 15 GLY H A 15 GLY HAy 1.0 1.8 4.99 210 199 A 15 GLY HAy A 81 LEU HBy 1.0 1.8 5.11 211 199 A 81 LEU HBx A 15 GLY HAy 1.0 1.8 5.11 212 200 A 14 PRO HBy A 15 GLY H 1.0 1.8 5.17 213 201 A 15 GLY H A 15 GLY HAy 1.0 1.8 5.20 214 202 A 15 GLY H A 15 GLY HAx 1.0 1.8 5.21 215 203 A 15 GLY HAy A 16 LYS HGx 1.0 1.8 5.31 216 204 A 81 LEU HDy% A 15 GLY H 1.0 1.8 5.31 217 205 A 15 GLY HAx A 16 LYS HGx 1.0 1.8 5.38 218 206 A 15 GLY H A 82 LYS HA 1.0 1.8 5.52 219 207 A 15 GLY H A 81 LEU H 1.0 1.8 5.56 220 208 A 15 GLY HAy A 16 LYS H 1.0 1.8 5.63 221 209 A 15 GLY H A 82 LYS HGy 1.0 1.8 5.64 222 210 A 16 LYS HA A 16 LYS HGy 1.0 1.8 5.17 223 211 A 16 LYS HDx A 16 LYS HE2 1.0 1.8 5.20 224 211 A 16 LYS HE3 A 16 LYS HDx 1.0 1.8 5.20 225 211 A 16 LYS HDy A 16 LYS HE3 1.0 1.8 5.20 226 211 A 16 LYS HDy A 16 LYS HE2 1.0 1.8 5.20 227 212 A 17 THR HB A 17 THR HG2% 1.0 1.8 4.54 228 213 A 17 THR HG2% A 17 THR HA 1.0 1.8 4.65 229 214 A 17 THR HB A 17 THR HG2% 1.0 1.8 4.66 230 215 A 17 THR HB A 17 THR HG2% 1.0 1.8 4.75 231 216 A 17 THR H A 16 LYS HBy 1.0 1.8 4.85 232 216 A 17 THR H A 16 LYS HBx 1.0 1.8 4.85 233 217 A 17 THR HB A 17 THR HG2% 1.0 1.8 4.86 234 218 A 17 THR HB A 17 THR H 1.0 1.8 4.86 235 219 A 16 LYS HA A 17 THR H 1.0 1.8 4.87 236 220 A 17 THR HB A 17 THR HG2% 1.0 1.8 4.99 237 221 A 17 THR HG2% A 17 THR HA 1.0 1.8 5.04 238 222 A 17 THR HB A 17 THR H 1.0 1.8 5.05 239 223 A 17 THR HB A 17 THR HG2% 1.0 1.8 5.12 240 224 A 17 THR HG2% A 17 THR HA 1.0 1.8 5.16 241 225 A 17 THR H A 16 LYS HBy 1.0 1.8 5.19 242 225 A 17 THR H A 16 LYS HBx 1.0 1.8 5.19 243 226 A 17 THR HG2% A 17 THR H 1.0 1.8 5.20 244 227 A 17 THR H A 16 LYS HDx 1.0 1.8 5.28 245 227 A 16 LYS HDy A 17 THR H 1.0 1.8 5.28 246 228 A 17 THR HB A 78 ILE H 1.0 1.8 5.33 247 229 A 17 THR H A 16 LYS HBy 1.0 1.8 5.60 248 229 A 17 THR H A 16 LYS HBx 1.0 1.8 5.60 249 230 A 16 LYS HGy A 17 THR H 1.0 1.8 5.63 250 231 A 18 VAL HB A 18 VAL HGx% 1.0 1.8 4.59 251 232 A 18 VAL HB A 18 VAL HGy% 1.0 1.8 4.59 252 233 A 17 THR HG2% A 18 VAL H 1.0 1.8 4.69 253 234 A 17 THR HA A 18 VAL H 1.0 1.8 4.71 254 235 A 18 VAL HB A 18 VAL HGx% 1.0 1.8 4.73 255 236 A 18 VAL HB A 18 VAL HGy% 1.0 1.8 4.73 256 237 A 18 VAL HGx% A 19 THR H 1.0 1.8 4.83 257 238 A 18 VAL HGy% A 18 VAL H 1.0 1.8 4.84 258 239 A 18 VAL HB A 18 VAL HGx% 1.0 1.8 4.85 259 240 A 18 VAL HB A 18 VAL HGy% 1.0 1.8 4.85 260 241 A 18 VAL HB A 18 VAL HGy% 1.0 1.8 4.86 261 242 A 18 VAL HGx% A 78 ILE HD1% 1.0 1.8 4.96 262 243 A 18 VAL HB A 18 VAL HGx% 1.0 1.8 4.99 263 244 A 18 VAL HB A 18 VAL HGy% 1.0 1.8 4.99 264 245 A 18 VAL HB A 18 VAL HGx% 1.0 1.8 5.01 265 246 A 18 VAL HB A 18 VAL HGy% 1.0 1.8 5.01 266 247 A 18 VAL HB A 18 VAL HGy% 1.0 1.8 5.07 267 248 A 18 VAL HGy% A 18 VAL HA 1.0 1.8 5.09 268 249 A 18 VAL HGx% A 18 VAL HA 1.0 1.8 5.16 269 250 A 18 VAL HGy% A 18 VAL HA 1.0 1.8 5.16 270 251 A 18 VAL HB A 18 VAL HA 1.0 1.8 5.20 271 252 A 18 VAL HB A 18 VAL HA 1.0 1.8 5.21 272 253 A 18 VAL HGy% A 12 GLU HBx 1.0 1.8 5.23 273 254 A 18 VAL HGy% A 18 VAL HA 1.0 1.8 5.25 274 255 A 18 VAL HGy% A 12 GLU HGx 1.0 1.8 5.26 275 256 A 18 VAL HGy% A 12 GLU HGy 1.0 1.8 5.26 276 257 A 18 VAL H A 18 VAL HA 1.0 1.8 5.33 277 258 A 18 VAL HGx% A 18 VAL HA 1.0 1.8 5.44 278 259 A 18 VAL HGy% A 18 VAL HA 1.0 1.8 5.44 279 260 A 18 VAL HB A 19 THR H 1.0 1.8 5.47 280 261 A 18 VAL HB A 19 THR H 1.0 1.8 5.48 281 262 A 18 VAL HB A 18 VAL HA 1.0 1.8 5.49 282 263 A 18 VAL HB A 18 VAL H 1.0 1.8 5.53 283 264 A 18 VAL H A 78 ILE HB 1.0 1.8 5.65 284 265 A 18 VAL H A 78 ILE HB 1.0 1.8 5.66 285 266 A 19 THR H A 18 VAL HA 1.0 1.8 4.38 286 267 A 19 THR HB A 19 THR HG2% 1.0 1.8 4.53 287 268 A 19 THR H A 18 VAL HA 1.0 1.8 4.63 288 269 A 19 THR HB A 19 THR HG2% 1.0 1.8 4.67 289 270 A 19 THR HB A 19 THR HG2% 1.0 1.8 4.69 290 271 A 19 THR HB A 20 ILE HG1x 1.0 1.8 4.71 291 272 A 18 VAL HB A 19 THR H 1.0 1.8 4.73 292 273 A 19 THR HB A 19 THR HG2% 1.0 1.8 4.83 293 274 A 18 VAL HB A 19 THR H 1.0 1.8 4.87 294 275 A 18 VAL HB A 19 THR H 1.0 1.8 4.87 295 276 A 18 VAL HB A 19 THR H 1.0 1.8 4.87 296 277 A 18 VAL HB A 19 THR H 1.0 1.8 4.87 297 278 A 19 THR HG2% A 19 THR HA 1.0 1.8 4.92 298 279 A 19 THR HG2% A 19 THR HA 1.0 1.8 5.00 299 280 A 19 THR HB A 19 THR HG2% 1.0 1.8 5.06 300 281 A 19 THR HA A 20 ILE H 1.0 1.8 5.17 301 282 A 19 THR H A 19 THR HB 1.0 1.8 5.27 302 283 A 19 THR HG2% A 76 LEU HBx 1.0 1.8 5.28 303 284 A 19 THR HB A 19 THR HG2% 1.0 1.8 5.31 304 285 A 19 THR HG2% A 75 SER HA 1.0 1.8 5.35 305 286 A 19 THR HG2% A 20 ILE HA 1.0 1.8 5.37 306 287 A 19 THR HB A 19 THR HA 1.0 1.8 5.51 307 288 A 19 THR HA A 20 ILE H 1.0 1.8 4.65 308 289 A 20 ILE H A 20 ILE HB 1.0 1.8 4.89 309 290 A 20 ILE HG1x A 20 ILE H 1.0 1.8 4.92 310 291 A 20 ILE H A 20 ILE HA 1.0 1.8 5.12 311 292 A 20 ILE H A 20 ILE HA 1.0 1.8 5.16 312 293 A 20 ILE HG2% A 20 ILE HA 1.0 1.8 5.17 313 294 A 20 ILE H A 20 ILE HD1% 1.0 1.8 5.23 314 295 A 20 ILE H A 77 THR HA 1.0 1.8 5.24 315 296 A 20 ILE HG2% A 20 ILE H 1.0 1.8 5.25 316 297 A 19 THR H A 20 ILE HA 1.0 1.8 5.39 317 298 A 20 ILE H A 76 LEU H 1.0 1.8 5.40 318 299 A 21 SER HA A 21 SER HBx 1.0 1.8 4.63 319 300 A 21 SER HBy A 22 CYS H 1.0 1.8 4.70 320 301 A 21 SER H A 20 ILE HA 1.0 1.8 4.84 321 302 A 21 SER HBx A 22 CYS H 1.0 1.8 4.87 322 303 A 21 SER HA A 21 SER HBx 1.0 1.8 5.00 323 304 A 21 SER H A 21 SER HBx 1.0 1.8 5.05 324 305 A 21 SER H A 21 SER HBy 1.0 1.8 5.05 325 306 A 21 SER HA A 21 SER HBy 1.0 1.8 5.08 326 307 A 21 SER HA A 21 SER HBy 1.0 1.8 5.19 327 308 A 75 SER HA A 21 SER HBx 1.0 1.8 5.24 328 309 A 21 SER HA A 21 SER HBx 1.0 1.8 5.26 329 310 A 21 SER H A 21 SER HA 1.0 1.8 5.38 330 311 A 21 SER H A 21 SER HA 1.0 1.8 5.46 331 312 A 20 ILE H A 21 SER HA 1.0 1.8 5.52 332 313 A 21 SER H A 20 ILE HB 1.0 1.8 5.55 333 314 A 21 SER HA A 22 CYS H 1.0 1.8 4.71 334 315 A 21 SER HBy A 22 CYS H 1.0 1.8 4.88 335 316 A 22 CYS HBy A 36 TRP HH2 1.0 1.8 5.40 336 317 A 6 GLN HA A 22 CYS HBy 1.0 1.8 5.55 337 318 A 22 CYS HBy A 74 ALA HA 1.0 1.8 5.55 338 319 A 22 CYS HBx A 36 TRP HH2 1.0 1.8 5.56 339 320 A 23 THR H A 22 CYS HBy 1.0 1.8 5.66 340 321 A 23 THR HB A 23 THR HG2% 1.0 1.8 4.37 341 322 A 23 THR H A 22 CYS HA 1.0 1.8 4.56 342 323 A 23 THR HB A 23 THR HG2% 1.0 1.8 4.57 343 324 A 23 THR H A 23 THR HB 1.0 1.8 4.61 344 325 A 23 THR H A 23 THR HB 1.0 1.8 4.61 345 326 A 23 THR HB A 23 THR HG2% 1.0 1.8 4.75 346 327 A 23 THR HB A 23 THR HG2% 1.0 1.8 4.76 347 328 A 23 THR HB A 23 THR HA 1.0 1.8 4.83 348 329 A 23 THR H A 23 THR HG2% 1.0 1.8 4.84 349 330 A 23 THR HG2% A 23 THR HA 1.0 1.8 4.88 350 331 A 23 THR H A 22 CYS HA 1.0 1.8 4.97 351 332 A 23 THR H A 23 THR HG2% 1.0 1.8 4.99 352 333 A 23 THR H A 23 THR HB 1.0 1.8 5.09 353 334 A 23 THR H A 23 THR HG2% 1.0 1.8 5.14 354 335 A 23 THR H A 23 THR HB 1.0 1.8 5.17 355 336 A 23 THR H A 22 CYS HBx 1.0 1.8 5.18 356 337 A 23 THR H A 23 THR HG2% 1.0 1.8 5.29 357 338 A 4 LEU HG A 23 THR H 1.0 1.8 5.38 358 339 A 23 THR HA A 73 SER HA 1.0 1.8 5.43 359 340 A 4 LEU HG A 23 THR H 1.0 1.8 5.51 360 341 A 23 THR H A 22 CYS HBy 1.0 1.8 5.58 361 342 A 23 THR H A 24 ARG HA 1.0 1.8 5.11 362 343 A 23 THR HG2% A 24 ARG H 1.0 1.8 5.16 363 344 A 4 LEU HG A 24 ARG HA 1.0 1.8 5.28 364 345 A 24 ARG H A 29 ILE HG2% 1.0 1.8 5.36 365 346 A 23 THR HB A 24 ARG HA 1.0 1.8 5.39 366 347 A 24 ARG H A 73 SER HBy 1.0 1.8 5.41 367 348 A 23 THR HA A 24 ARG H 1.0 1.8 5.42 368 349 A 24 ARG HA A 24 ARG HBx 1.0 1.8 5.47 369 350 A 24 ARG HA A 26 SER H 1.0 1.8 5.51 370 351 A 26 SER HBy A 25 SER H 1.0 1.8 4.55 371 352 A 24 ARG HA A 25 SER H 1.0 1.8 4.66 372 353 A 23 THR HG2% A 25 SER H 1.0 1.8 4.78 373 354 A 25 SER HA A 25 SER HBy 1.0 1.8 4.92 374 355 A 4 LEU HG A 25 SER H 1.0 1.8 5.08 375 356 A 25 SER HA A 25 SER H 1.0 1.8 5.23 376 357 A 25 SER H A 24 ARG HBy 1.0 1.8 5.33 377 358 A 24 ARG HBx A 25 SER H 1.0 1.8 5.58 378 359 A 25 SER HA A 26 SER H 1.0 1.8 4.79 379 360 A 26 SER HBy A 26 SER H 1.0 1.8 4.91 380 361 A 2 PHE HBy A 26 SER H 1.0 1.8 5.02 381 362 A 26 SER H A 25 SER H 1.0 1.8 5.06 382 363 A 24 ARG HA A 26 SER H 1.0 1.8 5.28 383 364 A 3 MET H A 26 SER H 1.0 1.8 5.32 384 365 A 24 ARG HBx A 26 SER H 1.0 1.8 5.40 385 366 A 28 SER H A 28 SER HBy 1.0 1.8 5.12 386 366 A 28 SER H A 28 SER HBx 1.0 1.8 5.12 387 367 A 28 SER H A 28 SER HBy 1.0 1.8 5.12 388 367 A 28 SER H A 28 SER HBx 1.0 1.8 5.12 389 368 A 28 SER HA A 28 SER HBy 1.0 1.8 5.17 390 368 A 28 SER HBx A 28 SER HA 1.0 1.8 5.17 391 369 A 28 SER HA A 72 ASN HD2x 1.0 1.8 5.31 392 370 A 28 SER H A 28 SER HA 1.0 1.8 5.37 393 371 A 28 SER H A 26 SER HBx 1.0 1.8 5.48 394 372 A 29 ILE H A 29 ILE HD1% 1.0 1.8 4.72 395 373 A 28 SER HA A 29 ILE H 1.0 1.8 4.80 396 374 A 29 ILE H A 29 ILE HB 1.0 1.8 4.82 397 375 A 29 ILE H A 29 ILE HA 1.0 1.8 5.03 398 376 A 29 ILE H A 30 ALA H 1.0 1.8 5.33 399 377 A 29 ILE H A 72 ASN HA 1.0 1.8 5.39 400 378 A 29 ILE HB A 30 ALA HA 1.0 1.8 4.48 401 379 A 29 ILE HB A 30 ALA H 1.0 1.8 4.48 402 380 A 29 ILE HD1% A 30 ALA H 1.0 1.8 4.65 403 381 A 29 ILE HD1% A 30 ALA HA 1.0 1.8 4.79 404 382 A 30 ALA H A 31 SER H 1.0 1.8 4.90 405 383 A 30 ALA H A 30 ALA HA 1.0 1.8 4.91 406 384 A 29 ILE HA A 30 ALA H 1.0 1.8 4.95 407 385 A 30 ALA H A 30 ALA HA 1.0 1.8 5.13 408 386 A 29 ILE HD1% A 30 ALA HA 1.0 1.8 5.17 409 387 A 29 ILE H A 30 ALA H 1.0 1.8 5.28 410 388 A 29 ILE HA A 30 ALA HA 1.0 1.8 5.33 411 389 A 28 SER HA A 30 ALA H 1.0 1.8 5.49 412 390 A 31 SER H A 31 SER HA 1.0 1.8 4.45 413 391 A 29 ILE HA A 31 SER H 1.0 1.8 4.47 414 392 A 30 ALA H A 31 SER H 1.0 1.8 4.65 415 393 A 31 SER H A 32 ASN H 1.0 1.8 4.67 416 394 A 29 ILE HB A 31 SER H 1.0 1.8 4.68 417 395 A 31 SER H A 31 SER HA 1.0 1.8 4.96 418 396 A 30 ALA HA A 31 SER H 1.0 1.8 4.97 419 397 A 31 SER HA A 32 ASN H 1.0 1.8 5.23 420 398 A 28 SER HA A 31 SER H 1.0 1.8 5.32 421 399 A 31 SER H A 32 ASN H 1.0 1.8 4.78 422 400 A 31 SER HA A 32 ASN H 1.0 1.8 4.98 423 401 A 32 ASN H A 32 ASN HBx 1.0 1.8 5.11 424 402 A 32 ASN H A 32 ASN HBx 1.0 1.8 5.17 425 403 A 32 ASN H A 32 ASN HBx 1.0 1.8 5.17 426 404 A 32 ASN H A 32 ASN HBx 1.0 1.8 5.17 427 405 A 32 ASN HBx A 32 ASN HA 1.0 1.8 5.26 428 406 A 32 ASN H A 32 ASN HBy 1.0 1.8 5.29 429 407 A 29 ILE HB A 32 ASN H 1.0 1.8 5.37 430 408 A 32 ASN H A 32 ASN HBy 1.0 1.8 5.39 431 409 A 32 ASN HBx A 33 TYR H 1.0 1.8 5.57 432 410 A 34 VAL HA A 35 GLN HBx 1.0 1.8 4.99 433 411 A 34 VAL H A 34 VAL HGy% 1.0 1.8 5.01 434 412 A 34 VAL H A 33 TYR HA 1.0 1.8 5.03 435 413 A 34 VAL HGy% A 34 VAL HB 1.0 1.8 5.08 436 414 A 34 VAL HGy% A 34 VAL HB 1.0 1.8 5.14 437 415 A 34 VAL HGy% A 34 VAL HB 1.0 1.8 5.17 438 416 A 34 VAL HGy% A 34 VAL HB 1.0 1.8 5.19 439 417 A 34 VAL HA A 52 ASP H 1.0 1.8 5.24 440 418 A 34 VAL HA A 93 SER H 1.0 1.8 5.24 441 419 A 34 VAL HGx% A 34 VAL HB 1.0 1.8 5.24 442 420 A 34 VAL HGx% A 34 VAL HB 1.0 1.8 5.29 443 421 A 34 VAL HGx% A 34 VAL HB 1.0 1.8 5.31 444 422 A 34 VAL HGy% A 34 VAL HB 1.0 1.8 5.37 445 423 A 34 VAL H A 34 VAL HB 1.0 1.8 5.45 446 424 A 34 VAL H A 34 VAL HGx% 1.0 1.8 5.49 447 425 A 34 VAL HA A 35 GLN H 1.0 1.8 5.24 448 426 A 35 GLN HA A 51 GLU H 1.0 1.8 5.29 449 427 A 35 GLN HBx A 35 GLN HA 1.0 1.8 5.31 450 428 A 34 VAL HGy% A 35 GLN H 1.0 1.8 5.35 451 429 A 35 GLN HGy A 35 GLN HBy 1.0 1.8 5.36 452 430 A 35 GLN HA A 36 TRP HD1 1.0 1.8 5.51 453 431 A 34 VAL HGy% A 35 GLN H 1.0 1.8 5.55 454 432 A 35 GLN H A 35 GLN HBy 1.0 1.8 5.58 455 433 A 35 GLN HBy A 36 TRP H 1.0 1.8 5.21 456 434 A 36 TRP H A 36 TRP HBx 1.0 1.8 5.35 457 435 A 36 TRP H A 49 ILE H 1.0 1.8 5.43 458 436 A 36 TRP HD1 A 36 TRP H 1.0 1.8 5.45 459 437 A 36 TRP HA A 48 VAL HGy% 1.0 1.8 5.49 460 438 A 36 TRP H A 35 GLN HGx 1.0 1.8 5.62 461 439 A 37 TYR H A 37 TYR HBx 1.0 1.8 4.75 462 440 A 48 VAL HGy% A 37 TYR HA 1.0 1.8 4.92 463 441 A 36 TRP HA A 37 TYR H 1.0 1.8 5.17 464 442 A 37 TYR HA A 37 TYR HDy 1.0 1.8 5.18 465 443 A 48 VAL HGy% A 37 TYR HA 1.0 1.8 5.20 466 444 A 37 TYR H A 37 TYR HDy 1.0 1.8 5.24 467 445 A 37 TYR HA A 37 TYR HBy 1.0 1.8 5.30 468 446 A 37 TYR H A 37 TYR HBy 1.0 1.8 5.32 469 447 A 36 TRP HA A 37 TYR H 1.0 1.8 5.39 470 448 A 48 VAL HGy% A 37 TYR HA 1.0 1.8 5.43 471 449 A 37 TYR H A 37 TYR HDy 1.0 1.8 5.47 472 450 A 37 TYR HBx A 46 THR H 1.0 1.8 5.55 473 451 A 38 GLN HE22 A 38 GLN HE21 1.0 1.8 4.89 474 452 A 38 GLN HE22 A 38 GLN HBy 1.0 1.8 5.07 475 452 A 38 GLN HE22 A 38 GLN HBx 1.0 1.8 5.07 476 453 A 38 GLN HE21 A 38 GLN HBy 1.0 1.8 5.10 477 453 A 38 GLN HE21 A 38 GLN HBx 1.0 1.8 5.10 478 454 A 37 TYR HA A 38 GLN H 1.0 1.8 5.13 479 455 A 85 ASP HA A 38 GLN HGy 1.0 1.8 5.20 480 455 A 38 GLN HGx A 85 ASP HA 1.0 1.8 5.20 481 456 A 38 GLN HE22 A 63 PHE HZ 1.0 1.8 5.29 482 457 A 48 VAL HGy% A 38 GLN HE22 1.0 1.8 5.33 483 458 A 48 VAL HGy% A 38 GLN H 1.0 1.8 5.34 484 459 A 38 GLN HE21 A 63 PHE HZ 1.0 1.8 5.35 485 460 A 38 GLN HE21 A 89 TYR HE% 1.0 1.8 5.37 486 461 A 38 GLN HE21 A 89 TYR HE% 1.0 1.8 5.37 487 462 A 89 TYR HE% A 38 GLN HA 1.0 1.8 5.44 488 463 A 38 GLN HE21 A 85 ASP HA 1.0 1.8 5.48 489 464 A 39 GLN HE21 A 39 GLN HE22 1.0 1.8 4.36 490 465 A 39 GLN HE21 A 39 GLN HE22 1.0 1.8 4.43 491 466 A 38 GLN HA A 39 GLN H 1.0 1.8 4.77 492 467 A 39 GLN H A 38 GLN HGy 1.0 1.8 4.88 493 467 A 38 GLN HGx A 39 GLN H 1.0 1.8 4.88 494 468 A 39 GLN HE21 A 39 GLN HA 1.0 1.8 4.95 495 469 A 39 GLN HE22 A 39 GLN HA 1.0 1.8 4.98 496 470 A 39 GLN H A 39 GLN HGy 1.0 1.8 5.04 497 471 A 39 GLN H A 39 GLN HBy 1.0 1.8 5.20 498 471 A 39 GLN H A 39 GLN HBx 1.0 1.8 5.20 499 472 A 39 GLN HGy A 39 GLN HBy 1.0 1.8 5.33 500 472 A 39 GLN HGy A 39 GLN HBx 1.0 1.8 5.33 501 473 A 39 GLN H A 39 GLN HA 1.0 1.8 5.39 502 474 A 39 GLN H A 88 ASP H 1.0 1.8 5.39 503 475 A 39 GLN H A 39 GLN HA 1.0 1.8 5.41 504 476 A 39 GLN H A 89 TYR HA 1.0 1.8 5.54 505 477 A 39 GLN HE21 A 39 GLN HA 1.0 1.8 5.55 506 478 A 41 PRO HBy A 41 PRO HBx 1.0 1.8 5.07 507 479 A 41 PRO HBy A 41 PRO HA 1.0 1.8 5.54 508 480 A 42 GLY HAx A 42 GLY HAy 1.0 1.8 4.86 509 481 A 42 GLY HAy A 42 GLY H 1.0 1.8 5.50 510 482 A 42 GLY HAx A 42 GLY H 1.0 1.8 5.66 511 483 A 43 SER H A 44 SER H 1.0 1.8 5.10 512 484 A 42 GLY HAx A 43 SER H 1.0 1.8 5.15 513 485 A 43 SER H A 43 SER HBy 1.0 1.8 5.15 514 486 A 44 SER H A 43 SER HBx 1.0 1.8 4.52 515 487 A 44 SER HA A 44 SER HBy 1.0 1.8 4.64 516 488 A 44 SER H A 44 SER HA 1.0 1.8 5.66 517 489 A 45 PRO HBy A 45 PRO HBx 1.0 1.8 5.07 518 490 A 45 PRO HBy A 44 SER HBx 1.0 1.8 5.14 519 491 A 46 THR HG2% A 46 THR HB 1.0 1.8 4.51 520 492 A 46 THR HG2% A 46 THR HB 1.0 1.8 4.53 521 493 A 46 THR HG2% A 46 THR HB 1.0 1.8 4.63 522 494 A 46 THR HB A 46 THR HA 1.0 1.8 4.72 523 495 A 46 THR HG2% A 46 THR HA 1.0 1.8 4.81 524 496 A 46 THR HG2% A 46 THR HB 1.0 1.8 4.88 525 497 A 46 THR HG2% A 46 THR HB 1.0 1.8 4.93 526 498 A 46 THR HB A 46 THR HA 1.0 1.8 4.98 527 499 A 46 THR HG2% A 46 THR HB 1.0 1.8 5.14 528 500 A 46 THR H A 46 THR HB 1.0 1.8 5.15 529 501 A 46 THR H A 46 THR HG2% 1.0 1.8 5.20 530 502 A 46 THR H A 39 GLN HA 1.0 1.8 5.26 531 503 A 46 THR H A 39 GLN HA 1.0 1.8 5.33 532 504 A 46 THR H A 46 THR HG2% 1.0 1.8 5.40 533 505 A 47 THR HB A 47 THR HG2% 1.0 1.8 4.90 534 506 A 47 THR HB A 47 THR HG2% 1.0 1.8 4.95 535 507 A 47 THR HG2% A 48 VAL H 1.0 1.8 5.11 536 508 A 47 THR HB A 47 THR HG2% 1.0 1.8 5.26 537 509 A 37 TYR HA A 47 THR HG2% 1.0 1.8 5.29 538 510 A 47 THR HB A 47 THR HG2% 1.0 1.8 5.31 539 511 A 47 THR HB A 47 THR HG2% 1.0 1.8 5.32 540 512 A 47 THR HB A 47 THR H 1.0 1.8 5.51 541 513 A 48 VAL HGy% A 48 VAL HA 1.0 1.8 4.69 542 514 A 48 VAL HA A 55 ARG HBy 1.0 1.8 5.03 543 515 A 48 VAL HGy% A 48 VAL H 1.0 1.8 5.10 544 516 A 48 VAL HGy% A 48 VAL HB 1.0 1.8 5.14 545 517 A 47 THR HG2% A 48 VAL H 1.0 1.8 5.15 546 518 A 49 ILE H A 48 VAL H 1.0 1.8 5.17 547 519 A 48 VAL HB A 48 VAL HGx% 1.0 1.8 5.19 548 520 A 48 VAL HA A 48 VAL HGx% 1.0 1.8 5.24 549 521 A 48 VAL HGy% A 48 VAL HB 1.0 1.8 5.24 550 522 A 48 VAL HB A 48 VAL HGx% 1.0 1.8 5.25 551 523 A 48 VAL HA A 59 VAL HGx% 1.0 1.8 5.27 552 524 A 48 VAL HGy% A 48 VAL HA 1.0 1.8 5.35 553 525 A 48 VAL HB A 48 VAL HGx% 1.0 1.8 5.36 554 526 A 48 VAL HGy% A 48 VAL HB 1.0 1.8 5.37 555 527 A 48 VAL HA A 48 VAL HGx% 1.0 1.8 5.39 556 528 A 37 TYR HA A 48 VAL H 1.0 1.8 5.41 557 529 A 48 VAL HGy% A 38 GLN HA 1.0 1.8 5.42 558 530 A 48 VAL HA A 59 VAL HGy% 1.0 1.8 5.43 559 531 A 38 GLN H A 48 VAL HGx% 1.0 1.8 5.43 560 532 A 48 VAL HGy% A 48 VAL H 1.0 1.8 5.43 561 533 A 49 ILE H A 48 VAL HGy% 1.0 1.8 5.49 562 534 A 48 VAL HGy% A 89 TYR HE% 1.0 1.8 5.53 563 535 A 48 VAL H A 48 VAL HB 1.0 1.8 5.53 564 536 A 48 VAL H A 37 TYR HDx 1.0 1.8 5.59 565 537 A 48 VAL H A 37 TYR HDx 1.0 1.8 5.61 566 538 A 48 VAL H A 48 VAL HA 1.0 1.8 5.70 567 539 A 37 TYR HBy A 48 VAL H 1.0 1.8 5.78 568 540 A 49 ILE H A 48 VAL HGy% 1.0 1.8 4.80 569 541 A 36 TRP H A 49 ILE H 1.0 1.8 4.84 570 542 A 49 ILE H A 47 THR HG2% 1.0 1.8 4.88 571 543 A 49 ILE H A 49 ILE HB 1.0 1.8 5.17 572 544 A 49 ILE H A 48 VAL HGx% 1.0 1.8 5.19 573 545 A 49 ILE H A 49 ILE HD1% 1.0 1.8 5.19 574 546 A 49 ILE H A 49 ILE HA 1.0 1.8 5.32 575 547 A 49 ILE H A 49 ILE HA 1.0 1.8 5.37 576 548 A 49 ILE H A 48 VAL HB 1.0 1.8 5.45 577 549 A 49 ILE H A 49 ILE HG1y 1.0 1.8 5.45 578 550 A 49 ILE H A 50 TYR HBy 1.0 1.8 5.46 579 551 A 49 ILE H A 63 PHE HBy 1.0 1.8 5.46 580 552 A 49 ILE H A 48 VAL HB 1.0 1.8 5.49 581 553 A 49 ILE H A 50 TYR HBy 1.0 1.8 5.50 582 554 A 49 ILE H A 63 PHE HBy 1.0 1.8 5.50 583 555 A 49 ILE H A 48 VAL HA 1.0 1.8 5.54 584 556 A 36 TRP HD1 A 49 ILE H 1.0 1.8 5.63 585 557 A 49 ILE H A 47 THR HB 1.0 1.8 5.64 586 558 A 49 ILE H A 36 TRP HA 1.0 1.8 5.69 587 559 A 49 ILE HA A 50 TYR H 1.0 1.8 5.16 588 560 A 50 TYR H A 49 ILE HG2% 1.0 1.8 5.20 589 561 A 50 TYR H A 54 GLN HGx 1.0 1.8 5.25 590 562 A 50 TYR H A 49 ILE HG2% 1.0 1.8 5.34 591 563 A 35 GLN HBx A 50 TYR HA 1.0 1.8 5.51 592 564 A 50 TYR H A 50 TYR HDx 1.0 1.8 5.51 593 565 A 51 GLU H A 33 TYR HBy 1.0 1.8 5.22 594 566 A 51 GLU HGy A 53 ASN HBx 1.0 1.8 5.47 595 567 A 35 GLN HBx A 51 GLU H 1.0 1.8 5.49 596 568 A 51 GLU H A 51 GLU HA 1.0 1.8 5.59 597 569 A 52 ASP H A 51 GLU HGx 1.0 1.8 5.03 598 570 A 52 ASP H A 53 ASN H 1.0 1.8 5.09 599 571 A 52 ASP H A 51 GLU HA 1.0 1.8 5.23 600 572 A 49 ILE HG2% A 52 ASP HA 1.0 1.8 5.30 601 573 A 52 ASP H A 53 ASN H 1.0 1.8 5.32 602 574 A 34 VAL HB A 52 ASP H 1.0 1.8 5.50 603 575 A 52 ASP H A 52 ASP HBy 1.0 1.8 5.50 604 576 A 53 ASN HD21 A 53 ASN HD22 1.0 1.8 4.28 605 577 A 53 ASN HD21 A 53 ASN HD22 1.0 1.8 4.39 606 578 A 49 ILE HG2% A 53 ASN HA 1.0 1.8 4.85 607 579 A 53 ASN H A 67 ILE HG2% 1.0 1.8 4.93 608 580 A 53 ASN H A 52 ASP HBy 1.0 1.8 4.99 609 581 A 53 ASN HBx A 53 ASN HA 1.0 1.8 5.01 610 582 A 53 ASN HA A 54 GLN HBx 1.0 1.8 5.03 611 583 A 53 ASN HA A 53 ASN HBy 1.0 1.8 5.07 612 584 A 53 ASN H A 53 ASN HA 1.0 1.8 5.08 613 585 A 53 ASN H A 53 ASN HA 1.0 1.8 5.13 614 586 A 53 ASN HBx A 53 ASN HD21 1.0 1.8 5.14 615 587 A 53 ASN HA A 67 ILE HG2% 1.0 1.8 5.17 616 588 A 49 ILE HG2% A 53 ASN HA 1.0 1.8 5.22 617 589 A 53 ASN HA A 67 ILE HG2% 1.0 1.8 5.22 618 590 A 53 ASN H A 53 ASN HBy 1.0 1.8 5.22 619 591 A 53 ASN HBx A 54 GLN H 1.0 1.8 5.25 620 592 A 53 ASN HBx A 53 ASN HA 1.0 1.8 5.27 621 593 A 53 ASN HD21 A 53 ASN HA 1.0 1.8 5.30 622 594 A 53 ASN HA A 66 SER HBy 1.0 1.8 5.33 623 595 A 53 ASN HA A 53 ASN HBy 1.0 1.8 5.40 624 596 A 53 ASN HD21 A 53 ASN HBy 1.0 1.8 5.42 625 597 A 53 ASN H A 51 GLU HBx 1.0 1.8 5.49 626 598 A 53 ASN HA A 53 ASN HBy 1.0 1.8 5.50 627 599 A 53 ASN HBx A 53 ASN HA 1.0 1.8 5.52 628 600 A 53 ASN HBx A 53 ASN HD22 1.0 1.8 5.53 629 601 A 53 ASN HD21 A 53 ASN HA 1.0 1.8 5.53 630 602 A 53 ASN H A 53 ASN HBy 1.0 1.8 5.55 631 603 A 53 ASN HBx A 53 ASN HD21 1.0 1.8 5.60 632 604 A 53 ASN HD22 A 53 ASN HBy 1.0 1.8 5.60 633 605 A 53 ASN H A 53 ASN HD22 1.0 1.8 5.66 634 606 A 54 GLN HE21 A 54 GLN HE22 1.0 1.8 4.14 635 607 A 54 GLN HE21 A 54 GLN HE22 1.0 1.8 4.15 636 608 A 54 GLN H A 54 GLN HA 1.0 1.8 4.66 637 609 A 54 GLN HE21 A 54 GLN HGy 1.0 1.8 4.79 638 610 A 54 GLN HE22 A 54 GLN HGy 1.0 1.8 4.86 639 611 A 51 GLU HBx A 54 GLN HGy 1.0 1.8 4.89 640 612 A 54 GLN H A 54 GLN HGy 1.0 1.8 5.08 641 613 A 54 GLN HBx A 54 GLN HA 1.0 1.8 5.16 642 614 A 54 GLN H A 54 GLN HA 1.0 1.8 5.17 643 615 A 54 GLN HA A 54 GLN HGy 1.0 1.8 5.24 644 616 A 54 GLN HE22 A 54 GLN HGy 1.0 1.8 5.24 645 617 A 54 GLN HE21 A 54 GLN HGy 1.0 1.8 5.27 646 618 A 54 GLN HBx A 54 GLN HA 1.0 1.8 5.33 647 619 A 54 GLN HBx A 54 GLN HGy 1.0 1.8 5.33 648 620 A 54 GLN HBx A 54 GLN HGy 1.0 1.8 5.33 649 621 A 54 GLN HGx A 54 GLN HBx 1.0 1.8 5.35 650 622 A 54 GLN HE22 A 54 GLN HGy 1.0 1.8 5.41 651 623 A 53 ASN HD22 A 54 GLN HA 1.0 1.8 5.52 652 624 A 54 GLN HE21 A 54 GLN HA 1.0 1.8 5.63 653 625 A 54 GLN HA A 55 ARG H 1.0 1.8 4.97 654 626 A 55 ARG HA A 49 ILE HG1x 1.0 1.8 5.15 655 627 A 49 ILE HD1% A 55 ARG HA 1.0 1.8 5.33 656 628 A 55 ARG H A 55 ARG HGy 1.0 1.8 5.39 657 629 A 63 PHE HBy A 55 ARG HDy 1.0 1.8 5.40 658 630 A 55 ARG H A 55 ARG HA 1.0 1.8 5.42 659 631 A 55 ARG HA A 55 ARG HDy 1.0 1.8 5.52 660 632 A 55 ARG HBy A 55 ARG HA 1.0 1.8 5.54 661 633 A 59 VAL HGy% A 55 ARG HA 1.0 1.8 5.56 662 634 A 57 SER H A 57 SER HBy 1.0 1.8 5.25 663 634 A 57 SER H A 57 SER HBx 1.0 1.8 5.25 664 635 A 57 SER H A 57 SER HA 1.0 1.8 5.41 665 636 A 55 ARG HGy A 57 SER HA 1.0 1.8 5.47 666 637 A 58 GLY HAx A 58 GLY HAy 1.0 1.8 4.86 667 638 A 59 VAL HGy% A 59 VAL H 1.0 1.8 4.54 668 639 A 59 VAL H A 59 VAL HB 1.0 1.8 4.64 669 640 A 59 VAL HGx% A 59 VAL HA 1.0 1.8 4.87 670 641 A 58 GLY HAy A 59 VAL H 1.0 1.8 4.88 671 642 A 59 VAL HB A 59 VAL HA 1.0 1.8 4.91 672 643 A 59 VAL H A 56 PRO HD2 1.0 1.8 4.97 673 644 A 59 VAL H A 59 VAL HA 1.0 1.8 4.98 674 645 A 59 VAL HGx% A 59 VAL HB 1.0 1.8 5.06 675 646 A 59 VAL HGx% A 59 VAL HA 1.0 1.8 5.07 676 647 A 59 VAL HB A 59 VAL HA 1.0 1.8 5.09 677 648 A 59 VAL HGx% A 59 VAL HB 1.0 1.8 5.11 678 649 A 59 VAL H A 59 VAL HB 1.0 1.8 5.15 679 650 A 59 VAL HGy% A 59 VAL HB 1.0 1.8 5.16 680 651 A 59 VAL HGy% A 59 VAL HB 1.0 1.8 5.16 681 652 A 59 VAL HGx% A 59 VAL HB 1.0 1.8 5.17 682 653 A 48 VAL HGx% A 59 VAL HGy% 1.0 1.8 5.18 683 654 A 59 VAL HGy% A 55 ARG HGx 1.0 1.8 5.19 684 655 A 59 VAL HGy% A 59 VAL HA 1.0 1.8 5.20 685 656 A 48 VAL HA A 59 VAL HB 1.0 1.8 5.20 686 657 A 59 VAL HGx% A 56 PRO HBy 1.0 1.8 5.20 687 658 A 48 VAL HGx% A 59 VAL HGy% 1.0 1.8 5.21 688 659 A 59 VAL HGx% A 56 PRO HBy 1.0 1.8 5.22 689 660 A 59 VAL HGx% A 59 VAL HB 1.0 1.8 5.24 690 661 A 59 VAL HGy% A 59 VAL HB 1.0 1.8 5.30 691 662 A 59 VAL HGy% A 56 PRO HD2 1.0 1.8 5.32 692 663 A 59 VAL HGx% A 59 VAL HA 1.0 1.8 5.33 693 664 A 59 VAL HGx% A 59 VAL HB 1.0 1.8 5.41 694 665 A 59 VAL HGy% A 59 VAL HB 1.0 1.8 5.41 695 666 A 59 VAL HGy% A 59 VAL HB 1.0 1.8 5.41 696 667 A 59 VAL HGx% A 59 VAL HB 1.0 1.8 5.42 697 668 A 59 VAL H A 56 PRO HBy 1.0 1.8 5.63 698 669 A 60 PRO HBy A 60 PRO HA 1.0 1.8 5.09 699 670 A 60 PRO HBy A 60 PRO HA 1.0 1.8 5.27 700 671 A 60 PRO HBy A 61 ASP H 1.0 1.8 5.46 701 672 A 60 PRO HBy A 84 GLU HBy 1.0 1.8 5.47 702 673 A 60 PRO HBy A 63 PHE HDx 1.0 1.8 5.58 703 674 A 60 PRO HBy A 61 ASP H 1.0 1.8 4.54 704 675 A 61 ASP H A 61 ASP HA 1.0 1.8 4.78 705 676 A 61 ASP H A 61 ASP HBy 1.0 1.8 4.85 706 677 A 61 ASP H A 84 GLU HBy 1.0 1.8 4.96 707 678 A 61 ASP H A 62 ARG H 1.0 1.8 5.26 708 679 A 63 PHE HBy A 62 ARG HA 1.0 1.8 5.36 709 680 A 63 PHE HBy A 63 PHE H 1.0 1.8 4.68 710 681 A 63 PHE HA A 64 SER HBy 1.0 1.8 4.73 711 682 A 62 ARG HA A 63 PHE H 1.0 1.8 4.85 712 683 A 63 PHE H A 63 PHE HDy 1.0 1.8 4.87 713 684 A 63 PHE HDx A 63 PHE H 1.0 1.8 4.87 714 685 A 63 PHE H A 63 PHE HBx 1.0 1.8 4.93 715 686 A 59 VAL HGy% A 63 PHE H 1.0 1.8 5.15 716 687 A 55 ARG HGx A 63 PHE H 1.0 1.8 5.38 717 688 A 63 PHE H A 63 PHE HA 1.0 1.8 5.50 718 689 A 63 PHE H A 61 ASP HBx 1.0 1.8 5.56 719 690 A 64 SER HBx A 77 THR HG2% 1.0 1.8 4.58 720 691 A 64 SER HBy A 64 SER HA 1.0 1.8 4.59 721 692 A 63 PHE HA A 64 SER H 1.0 1.8 4.68 722 693 A 64 SER HBx A 64 SER H 1.0 1.8 4.69 723 694 A 64 SER HBx A 64 SER H 1.0 1.8 4.69 724 695 A 64 SER HBy A 64 SER HA 1.0 1.8 4.94 725 696 A 49 ILE HG1y A 64 SER HBx 1.0 1.8 4.98 726 697 A 49 ILE HG1y A 64 SER HBy 1.0 1.8 4.98 727 698 A 63 PHE HBx A 64 SER H 1.0 1.8 5.02 728 699 A 63 PHE HBx A 64 SER H 1.0 1.8 5.02 729 700 A 49 ILE HG1y A 64 SER HBx 1.0 1.8 5.03 730 701 A 49 ILE HD1% A 64 SER HA 1.0 1.8 5.05 731 702 A 63 PHE HBy A 64 SER H 1.0 1.8 5.09 732 703 A 63 PHE HBy A 64 SER H 1.0 1.8 5.09 733 704 A 64 SER H A 76 LEU HG 1.0 1.8 5.09 734 705 A 64 SER H A 76 LEU HG 1.0 1.8 5.09 735 706 A 64 SER HBx A 64 SER H 1.0 1.8 5.11 736 707 A 64 SER H A 78 ILE HA 1.0 1.8 5.24 737 708 A 63 PHE HA A 64 SER H 1.0 1.8 5.25 738 709 A 64 SER HA A 64 SER H 1.0 1.8 5.25 739 710 A 49 ILE HD1% A 64 SER H 1.0 1.8 5.35 740 711 A 49 ILE HD1% A 64 SER H 1.0 1.8 5.35 741 712 A 49 ILE HG1y A 64 SER HA 1.0 1.8 5.37 742 713 A 64 SER HBy A 64 SER H 1.0 1.8 5.43 743 714 A 64 SER H A 76 LEU HG 1.0 1.8 5.43 744 715 A 49 ILE HG1y A 64 SER HA 1.0 1.8 5.45 745 716 A 65 GLY H A 65 GLY HAx 1.0 1.8 4.53 746 717 A 64 SER HA A 65 GLY H 1.0 1.8 4.74 747 718 A 49 ILE HD1% A 65 GLY H 1.0 1.8 4.82 748 719 A 65 GLY H A 65 GLY HAy 1.0 1.8 5.03 749 720 A 49 ILE HG2% A 65 GLY H 1.0 1.8 5.13 750 721 A 65 GLY H A 65 GLY HAx 1.0 1.8 5.14 751 722 A 53 ASN HA A 65 GLY H 1.0 1.8 5.42 752 723 A 65 GLY HAy A 76 LEU HBy 1.0 1.8 5.43 753 724 A 49 ILE HG1x A 65 GLY HAx 1.0 1.8 5.45 754 725 A 53 ASN H A 66 SER H 1.0 1.8 4.41 755 726 A 66 SER HBy A 66 SER H 1.0 1.8 4.54 756 727 A 65 GLY HAy A 66 SER H 1.0 1.8 4.57 757 728 A 66 SER HBy A 66 SER HA 1.0 1.8 4.80 758 729 A 66 SER H A 75 SER H 1.0 1.8 4.83 759 730 A 66 SER H A 66 SER HA 1.0 1.8 4.84 760 731 A 67 ILE HG2% A 66 SER H 1.0 1.8 5.05 761 732 A 75 SER HA A 66 SER HBx 1.0 1.8 5.07 762 733 A 53 ASN HA A 66 SER H 1.0 1.8 5.33 763 734 A 66 SER H A 75 SER HBy 1.0 1.8 5.40 764 735 A 29 ILE HD1% A 68 ASP H 1.0 1.8 4.43 765 736 A 68 ASP H A 67 ILE HA 1.0 1.8 4.51 766 737 A 68 ASP H A 68 ASP HBy 1.0 1.8 4.69 767 738 A 68 ASP H A 68 ASP HA 1.0 1.8 4.80 768 739 A 74 ALA HA A 68 ASP H 1.0 1.8 4.84 769 740 A 68 ASP H A 67 ILE HB 1.0 1.8 5.14 770 741 A 68 ASP HA A 68 ASP HBx 1.0 1.8 5.26 771 742 A 68 ASP H A 67 ILE HG1y 1.0 1.8 5.31 772 743 A 68 ASP H A 73 SER H 1.0 1.8 5.33 773 744 A 73 SER H A 71 SER H 1.0 1.8 4.45 774 745 A 71 SER H A 71 SER HBy 1.0 1.8 4.52 775 746 A 71 SER H A 71 SER HA 1.0 1.8 4.68 776 747 A 71 SER H A 71 SER HA 1.0 1.8 4.68 777 748 A 71 SER H A 71 SER HBx 1.0 1.8 4.85 778 749 A 71 SER HA A 71 SER HBx 1.0 1.8 5.16 779 750 A 71 SER HA A 71 SER HBx 1.0 1.8 5.16 780 751 A 71 SER HBy A 71 SER HA 1.0 1.8 5.23 781 752 A 29 ILE HD1% A 71 SER HBy 1.0 1.8 5.30 782 753 A 67 ILE HA A 71 SER HBy 1.0 1.8 5.33 783 754 A 71 SER H A 71 SER HBy 1.0 1.8 5.33 784 755 A 71 SER HA A 71 SER HBx 1.0 1.8 5.34 785 756 A 71 SER HBy A 71 SER HA 1.0 1.8 5.39 786 757 A 29 ILE HD1% A 71 SER H 1.0 1.8 5.43 787 758 A 29 ILE HD1% A 71 SER H 1.0 1.8 5.43 788 759 A 71 SER H A 71 SER HA 1.0 1.8 5.58 789 760 A 72 ASN HA A 72 ASN H 1.0 1.8 4.49 790 761 A 71 SER H A 72 ASN H 1.0 1.8 4.55 791 762 A 72 ASN H A 70 SER HBy 1.0 1.8 4.77 792 762 A 72 ASN H A 70 SER HBx 1.0 1.8 4.77 793 763 A 29 ILE HG2% A 72 ASN HA 1.0 1.8 4.79 794 764 A 29 ILE HD1% A 72 ASN H 1.0 1.8 4.86 795 765 A 29 ILE HG2% A 72 ASN HA 1.0 1.8 4.94 796 766 A 72 ASN H A 72 ASN HBy 1.0 1.8 4.95 797 767 A 72 ASN H A 72 ASN HBx 1.0 1.8 4.97 798 768 A 72 ASN HA A 72 ASN H 1.0 1.8 5.00 799 769 A 72 ASN HA A 72 ASN HBy 1.0 1.8 5.07 800 770 A 72 ASN HA A 72 ASN HBx 1.0 1.8 5.10 801 771 A 72 ASN HA A 29 ILE HG1y 1.0 1.8 5.17 802 772 A 72 ASN HA A 72 ASN HBx 1.0 1.8 5.30 803 773 A 72 ASN HD2x A 72 ASN HBy 1.0 1.8 5.37 804 774 A 29 ILE HB A 72 ASN H 1.0 1.8 5.38 805 775 A 29 ILE H A 72 ASN HA 1.0 1.8 5.54 806 776 A 28 SER HA A 72 ASN H 1.0 1.8 5.59 807 777 A 29 ILE H A 72 ASN H 1.0 1.8 5.66 808 778 A 29 ILE HG2% A 73 SER H 1.0 1.8 4.59 809 779 A 72 ASN HA A 73 SER H 1.0 1.8 4.64 810 780 A 73 SER H A 71 SER HBx 1.0 1.8 4.69 811 781 A 73 SER HA A 73 SER HBx 1.0 1.8 4.84 812 782 A 73 SER HA A 73 SER HBx 1.0 1.8 4.84 813 783 A 73 SER H A 72 ASN HBx 1.0 1.8 4.96 814 784 A 73 SER H A 74 ALA H 1.0 1.8 5.00 815 785 A 73 SER HA A 74 ALA H 1.0 1.8 5.02 816 786 A 73 SER HA A 73 SER H 1.0 1.8 5.03 817 787 A 29 ILE HB A 73 SER H 1.0 1.8 5.05 818 788 A 73 SER HA A 29 ILE HG2% 1.0 1.8 5.09 819 789 A 73 SER HA A 29 ILE HG2% 1.0 1.8 5.09 820 790 A 73 SER HA A 29 ILE HG2% 1.0 1.8 5.10 821 791 A 23 THR HG2% A 73 SER HBy 1.0 1.8 5.10 822 792 A 73 SER HA A 73 SER HBy 1.0 1.8 5.23 823 793 A 68 ASP HBy A 73 SER H 1.0 1.8 5.23 824 794 A 73 SER HA A 73 SER HBy 1.0 1.8 5.28 825 795 A 23 THR HA A 73 SER HA 1.0 1.8 5.51 826 796 A 23 THR HA A 73 SER HBy 1.0 1.8 5.51 827 797 A 73 SER HBy A 74 ALA H 1.0 1.8 4.84 828 798 A 73 SER HA A 74 ALA H 1.0 1.8 4.86 829 799 A 29 ILE HG2% A 74 ALA H 1.0 1.8 4.91 830 800 A 74 ALA HA A 68 ASP H 1.0 1.8 5.03 831 801 A 74 ALA HA A 67 ILE HA 1.0 1.8 5.07 832 802 A 74 ALA HA A 74 ALA H 1.0 1.8 5.37 833 803 A 74 ALA HA A 67 ILE HA 1.0 1.8 5.38 834 804 A 22 CYS HBy A 74 ALA HA 1.0 1.8 5.39 835 805 A 74 ALA HA A 73 SER HBx 1.0 1.8 5.39 836 806 A 73 SER H A 74 ALA H 1.0 1.8 5.73 837 807 A 19 THR HG2% A 75 SER HBx 1.0 1.8 4.57 838 808 A 19 THR HG2% A 75 SER HBx 1.0 1.8 4.64 839 809 A 74 ALA HA A 75 SER H 1.0 1.8 4.67 840 810 A 19 THR HG2% A 75 SER HBx 1.0 1.8 4.86 841 811 A 75 SER H A 75 SER HBy 1.0 1.8 4.90 842 812 A 75 SER HA A 75 SER HBx 1.0 1.8 4.98 843 813 A 75 SER HA A 75 SER HBx 1.0 1.8 5.10 844 814 A 75 SER HA A 75 SER HBx 1.0 1.8 5.12 845 815 A 75 SER HA A 21 SER HA 1.0 1.8 5.14 846 816 A 75 SER HBy A 77 THR H 1.0 1.8 5.14 847 817 A 19 THR HG2% A 75 SER HA 1.0 1.8 5.18 848 818 A 76 LEU HBx A 75 SER HA 1.0 1.8 5.23 849 819 A 76 LEU H A 75 SER HBx 1.0 1.8 5.33 850 820 A 76 LEU H A 75 SER HBy 1.0 1.8 5.33 851 821 A 75 SER H A 67 ILE HA 1.0 1.8 5.34 852 822 A 75 SER HA A 75 SER H 1.0 1.8 5.35 853 823 A 75 SER HA A 75 SER HBx 1.0 1.8 5.41 854 824 A 75 SER HA A 75 SER HBx 1.0 1.8 5.43 855 825 A 75 SER HA A 75 SER H 1.0 1.8 5.52 856 826 A 75 SER H A 75 SER HBy 1.0 1.8 5.55 857 827 A 75 SER H A 67 ILE HA 1.0 1.8 5.64 858 828 A 75 SER HA A 76 LEU H 1.0 1.8 4.93 859 829 A 76 LEU H A 76 LEU HBy 1.0 1.8 5.01 860 830 A 76 LEU H A 75 SER HBy 1.0 1.8 5.04 861 831 A 19 THR HG2% A 76 LEU H 1.0 1.8 5.40 862 832 A 76 LEU H A 21 SER HA 1.0 1.8 5.46 863 833 A 77 THR H A 76 LEU HA 1.0 1.8 4.60 864 834 A 77 THR HG2% A 77 THR HB 1.0 1.8 4.67 865 835 A 64 SER HBx A 77 THR H 1.0 1.8 4.70 866 836 A 77 THR HG2% A 79 SER HA 1.0 1.8 4.75 867 837 A 76 LEU HG A 77 THR H 1.0 1.8 4.78 868 838 A 78 ILE H A 77 THR HG2% 1.0 1.8 4.81 869 839 A 17 THR HB A 77 THR HG2% 1.0 1.8 4.87 870 840 A 77 THR HA A 76 LEU HG 1.0 1.8 4.90 871 841 A 77 THR HG2% A 77 THR HB 1.0 1.8 5.14 872 842 A 17 THR HB A 77 THR HG2% 1.0 1.8 5.22 873 843 A 77 THR HG2% A 77 THR HB 1.0 1.8 5.24 874 844 A 65 GLY HAy A 77 THR H 1.0 1.8 5.34 875 845 A 77 THR HA A 77 THR H 1.0 1.8 5.34 876 846 A 77 THR HA A 77 THR HG2% 1.0 1.8 5.45 877 847 A 78 ILE H A 76 LEU HG 1.0 1.8 4.55 878 848 A 78 ILE H A 77 THR HA 1.0 1.8 4.68 879 849 A 78 ILE H A 78 ILE HD1% 1.0 1.8 4.93 880 850 A 78 ILE HA A 78 ILE HG1y 1.0 1.8 5.02 881 850 A 78 ILE HA A 78 ILE HG1x 1.0 1.8 5.02 882 851 A 78 ILE HA A 78 ILE HG1y 1.0 1.8 5.02 883 851 A 78 ILE HA A 78 ILE HG1x 1.0 1.8 5.02 884 852 A 78 ILE H A 78 ILE HB 1.0 1.8 5.02 885 853 A 64 SER H A 78 ILE HA 1.0 1.8 5.13 886 854 A 78 ILE H A 79 SER HBx 1.0 1.8 5.25 887 855 A 78 ILE HG2% A 108 LEU HDy% 1.0 1.8 5.35 888 856 A 78 ILE HG2% A 81 LEU HDx% 1.0 1.8 5.35 889 857 A 78 ILE H A 78 ILE HA 1.0 1.8 5.43 890 858 A 78 ILE H A 20 ILE H 1.0 1.8 5.69 891 859 A 79 SER HA A 79 SER H 1.0 1.8 4.49 892 860 A 78 ILE HA A 79 SER H 1.0 1.8 4.51 893 861 A 17 THR HB A 79 SER H 1.0 1.8 4.60 894 862 A 17 THR HG2% A 79 SER HA 1.0 1.8 4.85 895 863 A 77 THR HG2% A 79 SER HBy 1.0 1.8 4.88 896 864 A 77 THR HG2% A 79 SER HBx 1.0 1.8 4.92 897 865 A 17 THR HG2% A 79 SER HBx 1.0 1.8 5.02 898 866 A 17 THR HG2% A 79 SER HBy 1.0 1.8 5.02 899 867 A 18 VAL H A 79 SER HA 1.0 1.8 5.07 900 868 A 17 THR HB A 79 SER HA 1.0 1.8 5.21 901 869 A 79 SER H A 79 SER HBy 1.0 1.8 5.24 902 870 A 79 SER HBx A 79 SER H 1.0 1.8 5.28 903 871 A 79 SER HA A 79 SER HBy 1.0 1.8 5.33 904 872 A 17 THR HA A 79 SER HA 1.0 1.8 5.36 905 873 A 79 SER HA A 79 SER HBx 1.0 1.8 5.36 906 874 A 79 SER HA A 79 SER HBx 1.0 1.8 5.38 907 875 A 17 THR HA A 79 SER HA 1.0 1.8 5.48 908 876 A 81 LEU H A 81 LEU HBy 1.0 1.8 4.58 909 876 A 81 LEU HBx A 81 LEU H 1.0 1.8 4.58 910 877 A 81 LEU H A 81 LEU HA 1.0 1.8 4.97 911 878 A 81 LEU HDy% A 81 LEU H 1.0 1.8 5.05 912 879 A 81 LEU H A 80 GLY HAx 1.0 1.8 5.13 913 880 A 15 GLY H A 81 LEU H 1.0 1.8 5.37 914 881 A 81 LEU H A 16 LYS H 1.0 1.8 5.67 915 882 A 82 LYS HGy A 82 LYS HEy 1.0 1.8 5.02 916 883 A 82 LYS HGy A 82 LYS HBy 1.0 1.8 5.13 917 884 A 61 ASP HBy A 82 LYS HBy 1.0 1.8 5.29 918 885 A 82 LYS HEy A 82 LYS HBy 1.0 1.8 5.29 919 886 A 82 LYS HEy A 82 LYS HDy 1.0 1.8 5.48 920 886 A 82 LYS HEy A 82 LYS HDx 1.0 1.8 5.48 921 887 A 82 LYS HGx A 83 THR H 1.0 1.8 5.66 922 888 A 82 LYS HGx A 84 GLU H 1.0 1.8 5.66 923 889 A 83 THR HG2% A 83 THR HA 1.0 1.8 4.49 924 890 A 82 LYS HA A 83 THR H 1.0 1.8 4.54 925 891 A 83 THR HG2% A 83 THR HA 1.0 1.8 4.59 926 892 A 82 LYS HGx A 83 THR H 1.0 1.8 4.72 927 893 A 83 THR HG2% A 83 THR HA 1.0 1.8 4.73 928 894 A 83 THR HG2% A 83 THR HA 1.0 1.8 4.74 929 895 A 82 LYS HBy A 83 THR H 1.0 1.8 4.75 930 896 A 83 THR HG2% A 83 THR HA 1.0 1.8 4.79 931 897 A 83 THR H A 83 THR HG2% 1.0 1.8 4.81 932 898 A 83 THR HG2% A 83 THR HB 1.0 1.8 4.85 933 899 A 82 LYS HGy A 83 THR H 1.0 1.8 4.86 934 900 A 83 THR H A 83 THR HA 1.0 1.8 4.86 935 901 A 110 VAL HGx% A 83 THR HB 1.0 1.8 4.90 936 902 A 83 THR H A 83 THR HB 1.0 1.8 4.91 937 903 A 83 THR HB A 110 VAL HB 1.0 1.8 4.96 938 904 A 83 THR HG2% A 83 THR HB 1.0 1.8 5.04 939 905 A 83 THR HG2% A 83 THR HB 1.0 1.8 5.08 940 906 A 110 VAL HGx% A 83 THR HB 1.0 1.8 5.09 941 907 A 110 VAL HGx% A 83 THR H 1.0 1.8 5.24 942 908 A 83 THR HG2% A 83 THR HB 1.0 1.8 5.25 943 909 A 83 THR HB A 110 VAL HB 1.0 1.8 5.28 944 910 A 110 VAL HGx% A 83 THR HA 1.0 1.8 5.31 945 911 A 83 THR HB A 110 VAL HB 1.0 1.8 5.34 946 912 A 83 THR HG2% A 83 THR HB 1.0 1.8 5.34 947 913 A 83 THR HG2% A 83 THR HA 1.0 1.8 5.35 948 914 A 83 THR HB A 86 GLU HBy 1.0 1.8 5.36 949 915 A 110 VAL HGx% A 83 THR HA 1.0 1.8 5.38 950 916 A 82 LYS HA A 83 THR H 1.0 1.8 5.60 951 917 A 83 THR H A 82 LYS HDy 1.0 1.8 5.68 952 917 A 82 LYS HDx A 83 THR H 1.0 1.8 5.68 953 918 A 84 GLU HA A 84 GLU HBx 1.0 1.8 4.17 954 919 A 84 GLU HBy A 84 GLU H 1.0 1.8 4.40 955 920 A 84 GLU H A 84 GLU HGy 1.0 1.8 4.40 956 920 A 84 GLU H A 84 GLU HGx 1.0 1.8 4.40 957 921 A 84 GLU H A 84 GLU HGy 1.0 1.8 4.72 958 921 A 84 GLU H A 84 GLU HGx 1.0 1.8 4.72 959 922 A 84 GLU HBy A 84 GLU HA 1.0 1.8 4.84 960 923 A 84 GLU HA A 84 GLU HGy 1.0 1.8 4.84 961 923 A 84 GLU HA A 84 GLU HGx 1.0 1.8 4.84 962 924 A 84 GLU H A 82 LYS HDy 1.0 1.8 4.94 963 924 A 82 LYS HDx A 84 GLU H 1.0 1.8 4.94 964 925 A 82 LYS HGy A 84 GLU H 1.0 1.8 4.94 965 926 A 84 GLU H A 84 GLU HA 1.0 1.8 4.98 966 927 A 82 LYS HA A 84 GLU H 1.0 1.8 5.02 967 928 A 84 GLU HA A 84 GLU HBx 1.0 1.8 5.03 968 929 A 84 GLU H A 84 GLU HA 1.0 1.8 5.03 969 930 A 82 LYS HBx A 84 GLU HGy 1.0 1.8 5.07 970 930 A 84 GLU HGx A 82 LYS HBx 1.0 1.8 5.07 971 931 A 84 GLU H A 85 ASP H 1.0 1.8 5.07 972 932 A 84 GLU HA A 84 GLU HGy 1.0 1.8 5.08 973 932 A 84 GLU HA A 84 GLU HGx 1.0 1.8 5.08 974 933 A 82 LYS HDx A 84 GLU HGy 1.0 1.8 5.14 975 933 A 82 LYS HDy A 84 GLU HGy 1.0 1.8 5.14 976 933 A 84 GLU HGx A 82 LYS HDy 1.0 1.8 5.14 977 933 A 82 LYS HDx A 84 GLU HGx 1.0 1.8 5.14 978 934 A 84 GLU HBy A 84 GLU HA 1.0 1.8 5.23 979 935 A 84 GLU HA A 84 GLU HGy 1.0 1.8 5.23 980 935 A 84 GLU HA A 84 GLU HGx 1.0 1.8 5.23 981 936 A 82 LYS HGx A 84 GLU H 1.0 1.8 5.23 982 937 A 84 GLU HA A 85 ASP H 1.0 1.8 5.33 983 938 A 84 GLU HA A 84 GLU HGy 1.0 1.8 5.36 984 938 A 84 GLU HA A 84 GLU HGx 1.0 1.8 5.36 985 939 A 84 GLU HA A 84 GLU HGy 1.0 1.8 5.36 986 939 A 84 GLU HA A 84 GLU HGx 1.0 1.8 5.36 987 940 A 84 GLU HA A 84 GLU HBx 1.0 1.8 5.45 988 941 A 84 GLU H A 83 THR HB 1.0 1.8 5.52 989 942 A 86 GLU HBy A 85 ASP H 1.0 1.8 4.56 990 943 A 81 LEU HA A 85 ASP H 1.0 1.8 4.64 991 944 A 85 ASP HA A 38 GLN HGy 1.0 1.8 4.66 992 944 A 38 GLN HGx A 85 ASP HA 1.0 1.8 4.66 993 945 A 85 ASP H A 86 GLU H 1.0 1.8 4.67 994 946 A 85 ASP H A 85 ASP HBy 1.0 1.8 4.74 995 947 A 86 GLU HBy A 85 ASP H 1.0 1.8 4.77 996 948 A 81 LEU HA A 85 ASP H 1.0 1.8 4.78 997 949 A 85 ASP HA A 85 ASP H 1.0 1.8 4.87 998 950 A 83 THR H A 85 ASP H 1.0 1.8 4.93 999 951 A 81 LEU HDx% A 85 ASP HBx 1.0 1.8 5.06 1000 952 A 85 ASP H A 85 ASP HBy 1.0 1.8 5.07 1001 953 A 85 ASP H A 86 GLU H 1.0 1.8 5.07 1002 954 A 85 ASP HA A 85 ASP HBx 1.0 1.8 5.10 1003 955 A 108 LEU HDy% A 85 ASP HBy 1.0 1.8 5.16 1004 956 A 108 LEU HDy% A 85 ASP HBy 1.0 1.8 5.16 1005 957 A 85 ASP HBy A 110 VAL HGy% 1.0 1.8 5.16 1006 958 A 83 THR H A 85 ASP H 1.0 1.8 5.22 1007 959 A 108 LEU HDy% A 85 ASP HBx 1.0 1.8 5.25 1008 960 A 85 ASP HA A 86 GLU H 1.0 1.8 5.32 1009 961 A 81 LEU HG A 85 ASP H 1.0 1.8 5.32 1010 962 A 82 LYS HA A 85 ASP H 1.0 1.8 5.43 1011 963 A 85 ASP HA A 85 ASP HBx 1.0 1.8 5.47 1012 964 A 82 LYS HA A 85 ASP H 1.0 1.8 5.51 1013 965 A 78 ILE HG2% A 85 ASP HBx 1.0 1.8 5.56 1014 966 A 86 GLU HBy A 86 GLU H 1.0 1.8 4.39 1015 967 A 85 ASP H A 86 GLU H 1.0 1.8 4.65 1016 968 A 86 GLU HBy A 86 GLU HA 1.0 1.8 4.66 1017 969 A 86 GLU HA A 86 GLU HGx 1.0 1.8 4.66 1018 970 A 86 GLU HBy A 86 GLU HGy 1.0 1.8 4.72 1019 971 A 110 VAL HGy% A 86 GLU HA 1.0 1.8 4.73 1020 972 A 86 GLU HBy A 110 VAL HGy% 1.0 1.8 4.86 1021 973 A 110 VAL HGx% A 86 GLU HGx 1.0 1.8 4.86 1022 974 A 86 GLU H A 110 VAL HGy% 1.0 1.8 4.90 1023 975 A 86 GLU H A 86 GLU HA 1.0 1.8 4.95 1024 976 A 86 GLU HBx A 87 ALA HA 1.0 1.8 5.01 1025 977 A 86 GLU HBy A 110 VAL HGy% 1.0 1.8 5.01 1026 978 A 86 GLU HBy A 86 GLU HGy 1.0 1.8 5.04 1027 979 A 86 GLU HBy A 86 GLU HA 1.0 1.8 5.05 1028 980 A 86 GLU HA A 86 GLU HGx 1.0 1.8 5.05 1029 981 A 86 GLU HA A 108 LEU HBx 1.0 1.8 5.06 1030 982 A 86 GLU H A 86 GLU HGy 1.0 1.8 5.07 1031 983 A 83 THR HA A 86 GLU HBy 1.0 1.8 5.13 1032 984 A 86 GLU HBy A 86 GLU HA 1.0 1.8 5.13 1033 985 A 86 GLU HBy A 110 VAL HGy% 1.0 1.8 5.15 1034 986 A 86 GLU HBy A 86 GLU HGy 1.0 1.8 5.19 1035 987 A 86 GLU HBy A 86 GLU H 1.0 1.8 5.21 1036 988 A 86 GLU HBy A 86 GLU HGy 1.0 1.8 5.25 1037 989 A 83 THR HA A 86 GLU HBy 1.0 1.8 5.26 1038 990 A 86 GLU HBy A 86 GLU HA 1.0 1.8 5.26 1039 991 A 85 ASP HA A 86 GLU H 1.0 1.8 5.26 1040 992 A 86 GLU HBy A 110 VAL H 1.0 1.8 5.30 1041 993 A 86 GLU HA A 86 GLU HGy 1.0 1.8 5.31 1042 994 A 86 GLU HBy A 85 ASP H 1.0 1.8 5.32 1043 995 A 110 VAL HGy% A 86 GLU HGy 1.0 1.8 5.33 1044 996 A 86 GLU H A 85 ASP HBy 1.0 1.8 5.33 1045 997 A 86 GLU HBy A 110 VAL H 1.0 1.8 5.34 1046 998 A 86 GLU HBy A 86 GLU HA 1.0 1.8 5.35 1047 999 A 86 GLU HA A 86 GLU HGx 1.0 1.8 5.35 1048 1000 A 110 VAL HGx% A 86 GLU HBy 1.0 1.8 5.38 1049 1001 A 86 GLU HBy A 110 VAL HGy% 1.0 1.8 5.42 1050 1002 A 108 LEU HG A 86 GLU H 1.0 1.8 5.53 1051 1003 A 86 GLU H A 86 GLU HGx 1.0 1.8 5.57 1052 1004 A 86 GLU HGy A 110 VAL H 1.0 1.8 5.63 1053 1005 A 86 GLU HA A 87 ALA H 1.0 1.8 4.87 1054 1006 A 88 ASP H A 87 ALA HA 1.0 1.8 5.07 1055 1007 A 86 GLU HBy A 87 ALA H 1.0 1.8 5.11 1056 1008 A 86 GLU HBx A 87 ALA HA 1.0 1.8 5.27 1057 1009 A 108 LEU HG A 87 ALA H 1.0 1.8 5.44 1058 1010 A 86 GLU HGy A 87 ALA H 1.0 1.8 5.45 1059 1011 A 87 ALA H A 108 LEU HBy 1.0 1.8 5.51 1060 1012 A 87 ALA H A 108 LEU H 1.0 1.8 5.71 1061 1013 A 38 GLN HA A 88 ASP H 1.0 1.8 5.28 1062 1014 A 108 LEU HBy A 89 TYR HBy 1.0 1.8 4.87 1063 1015 A 108 LEU HBy A 89 TYR HBy 1.0 1.8 5.05 1064 1016 A 89 TYR HA A 89 TYR HD% 1.0 1.8 5.08 1065 1017 A 39 GLN H A 89 TYR HA 1.0 1.8 5.37 1066 1018 A 89 TYR HE% A 89 TYR HBx 1.0 1.8 5.38 1067 1019 A 90 TYR HA A 90 TYR HBx 1.0 1.8 5.20 1068 1020 A 90 TYR HA A 90 TYR HD% 1.0 1.8 5.24 1069 1021 A 90 TYR HBx A 91 CYS HA 1.0 1.8 5.24 1070 1022 A 90 TYR HA A 90 TYR HBx 1.0 1.8 5.32 1071 1023 A 90 TYR HA A 91 CYS H 1.0 1.8 5.39 1072 1024 A 89 TYR HA A 90 TYR H 1.0 1.8 5.53 1073 1025 A 89 TYR HBx A 90 TYR H 1.0 1.8 5.58 1074 1026 A 91 CYS HA A 103 GLY H 1.0 1.8 5.29 1075 1027 A 92 GLN H A 92 GLN HA 1.0 1.8 4.49 1076 1028 A 35 GLN HBy A 92 GLN H 1.0 1.8 4.75 1077 1029 A 100 VAL HGx% A 92 GLN HGx 1.0 1.8 5.31 1078 1029 A 92 GLN HGy A 100 VAL HGx% 1.0 1.8 5.31 1079 1030 A 92 GLN HA A 92 GLN HGx 1.0 1.8 5.54 1080 1030 A 92 GLN HA A 92 GLN HGy 1.0 1.8 5.54 1081 1031 A 34 VAL HGy% A 93 SER HA 1.0 1.8 4.91 1082 1032 A 93 SER H A 4 LEU HDx% 1.0 1.8 5.11 1083 1033 A 93 SER H A 102 PHE HA 1.0 1.8 5.28 1084 1034 A 93 SER H A 2 PHE HE% 1.0 1.8 5.46 1085 1035 A 93 SER HA A 94 TYR HD% 1.0 1.8 5.52 1086 1036 A 94 TYR HA A 2 PHE HBx 1.0 1.8 5.10 1087 1037 A 94 TYR HD% A 94 TYR HBy 1.0 1.8 5.40 1088 1038 A 93 SER HA A 94 TYR HA 1.0 1.8 5.44 1089 1039 A 94 TYR HA A 95 ASP H 1.0 1.8 4.88 1090 1040 A 95 ASP HBx A 96 SER HBy 1.0 1.8 4.90 1091 1041 A 95 ASP H A 2 PHE HD% 1.0 1.8 4.95 1092 1042 A 95 ASP H A 95 ASP HBx 1.0 1.8 5.15 1093 1043 A 97 SER HA A 97 SER H 1.0 1.8 5.10 1094 1044 A 97 SER HA A 98 ASN H 1.0 1.8 5.14 1095 1045 A 97 SER HBy A 97 SER HA 1.0 1.8 5.15 1096 1046 A 97 SER HA A 97 SER H 1.0 1.8 5.32 1097 1047 A 97 SER HA A 98 ASN HD21 1.0 1.8 5.33 1098 1048 A 98 ASN HD21 A 98 ASN HD22 1.0 1.8 4.14 1099 1049 A 98 ASN HD21 A 98 ASN HD22 1.0 1.8 4.62 1100 1050 A 98 ASN H A 98 ASN HA 1.0 1.8 4.73 1101 1051 A 98 ASN HA A 99 HIS H 1.0 1.8 4.86 1102 1052 A 94 TYR HBy A 98 ASN HA 1.0 1.8 4.94 1103 1053 A 98 ASN HD21 A 98 ASN HBx 1.0 1.8 5.03 1104 1054 A 98 ASN HA A 98 ASN HBx 1.0 1.8 5.04 1105 1055 A 97 SER HA A 98 ASN H 1.0 1.8 5.05 1106 1056 A 98 ASN H A 98 ASN HBy 1.0 1.8 5.10 1107 1057 A 98 ASN HA A 98 ASN HBy 1.0 1.8 5.15 1108 1058 A 98 ASN H A 98 ASN HBx 1.0 1.8 5.16 1109 1059 A 98 ASN H A 98 ASN HBx 1.0 1.8 5.17 1110 1060 A 98 ASN HD22 A 98 ASN HBx 1.0 1.8 5.21 1111 1061 A 98 ASN HA A 98 ASN HBy 1.0 1.8 5.24 1112 1062 A 98 ASN HA A 98 ASN HBy 1.0 1.8 5.28 1113 1063 A 98 ASN HA A 98 ASN HBx 1.0 1.8 5.35 1114 1064 A 99 HIS H A 98 ASN HBy 1.0 1.8 5.37 1115 1065 A 98 ASN HD21 A 98 ASN HBx 1.0 1.8 5.42 1116 1066 A 98 ASN HD22 A 98 ASN HBx 1.0 1.8 5.50 1117 1067 A 98 ASN HD22 A 98 ASN HBy 1.0 1.8 5.52 1118 1068 A 98 ASN HD21 A 98 ASN HBy 1.0 1.8 5.61 1119 1069 A 98 ASN H A 98 ASN HD22 1.0 1.8 5.61 1120 1070 A 99 HIS H A 98 ASN HBy 1.0 1.8 4.98 1121 1071 A 99 HIS H A 1 ASN HBx 1.0 1.8 5.12 1122 1072 A 98 ASN HA A 99 HIS H 1.0 1.8 5.51 1123 1073 A 100 VAL HGx% A 100 VAL HB 1.0 1.8 4.83 1124 1074 A 100 VAL HGx% A 100 VAL HB 1.0 1.8 5.09 1125 1075 A 100 VAL HGx% A 94 TYR HBx 1.0 1.8 5.20 1126 1076 A 100 VAL HGx% A 94 TYR HBx 1.0 1.8 5.22 1127 1077 A 100 VAL HB A 100 VAL HGy% 1.0 1.8 5.22 1128 1078 A 101 VAL HGx% A 101 VAL H 1.0 1.8 4.98 1129 1079 A 101 VAL H A 100 VAL HA 1.0 1.8 5.18 1130 1080 A 101 VAL H A 101 VAL HGy% 1.0 1.8 5.40 1131 1081 A 101 VAL H A 101 VAL HA 1.0 1.8 5.45 1132 1082 A 101 VAL HGx% A 2 PHE HE% 1.0 1.8 5.58 1133 1083 A 93 SER H A 101 VAL H 1.0 1.8 5.62 1134 1084 A 2 PHE HD% A 101 VAL H 1.0 1.8 5.75 1135 1085 A 103 GLY H A 102 PHE HA 1.0 1.8 4.91 1136 1086 A 103 GLY H A 102 PHE HA 1.0 1.8 4.91 1137 1087 A 103 GLY H A 103 GLY HAy 1.0 1.8 4.99 1138 1088 A 103 GLY H A 4 LEU HDx% 1.0 1.8 5.12 1139 1089 A 103 GLY H A 102 PHE HBy 1.0 1.8 5.36 1140 1090 A 4 LEU HBy A 103 GLY H 1.0 1.8 5.58 1141 1091 A 103 GLY HAx A 106 THR H 1.0 1.8 5.62 1142 1092 A 103 GLY HAx A 105 GLY H 1.0 1.8 5.19 1143 1093 A 90 TYR HA A 105 GLY H 1.0 1.8 5.60 1144 1094 A 106 THR HG2% A 106 THR HA 1.0 1.8 4.83 1145 1095 A 106 THR HG2% A 106 THR HA 1.0 1.8 4.87 1146 1096 A 9 SER HA A 106 THR HG2% 1.0 1.8 4.93 1147 1097 A 9 SER HBx A 106 THR HG2% 1.0 1.8 4.98 1148 1098 A 106 THR HB A 106 THR HG2% 1.0 1.8 5.06 1149 1099 A 9 SER HA A 106 THR HG2% 1.0 1.8 5.13 1150 1100 A 106 THR HB A 106 THR HG2% 1.0 1.8 5.14 1151 1101 A 106 THR HB A 106 THR HG2% 1.0 1.8 5.22 1152 1102 A 20 ILE HG2% A 106 THR HB 1.0 1.8 5.28 1153 1103 A 106 THR HB A 106 THR HG2% 1.0 1.8 5.32 1154 1104 A 106 THR HB A 20 ILE HD1% 1.0 1.8 5.45 1155 1105 A 106 THR HG2% A 106 THR HA 1.0 1.8 5.49 1156 1106 A 107 LYS HDy A 107 LYS HE2 1.0 1.8 5.20 1157 1106 A 107 LYS HDx A 107 LYS HE2 1.0 1.8 5.20 1158 1106 A 107 LYS HE3 A 107 LYS HDy 1.0 1.8 5.20 1159 1106 A 107 LYS HDx A 107 LYS HE3 1.0 1.8 5.20 1160 1107 A 107 LYS HA A 107 LYS HGy 1.0 1.8 5.37 1161 1107 A 107 LYS HA A 107 LYS HGx 1.0 1.8 5.37 1162 1108 A 107 LYS HA A 107 LYS HGy 1.0 1.8 5.45 1163 1108 A 107 LYS HA A 107 LYS HGx 1.0 1.8 5.45 1164 1109 A 108 LEU H A 107 LYS HGy 1.0 1.8 5.00 1165 1109 A 108 LEU H A 107 LYS HGx 1.0 1.8 5.00 1166 1110 A 108 LEU HG A 86 GLU HGx 1.0 1.8 5.32 1167 1111 A 108 LEU HDx% A 108 LEU H 1.0 1.8 5.41 1168 1112 A 108 LEU HBy A 108 LEU H 1.0 1.8 5.43 1169 1113 A 108 LEU H A 107 LYS HBy 1.0 1.8 5.50 1170 1113 A 107 LYS HBx A 108 LEU H 1.0 1.8 5.50 1171 1114 A 109 THR H A 108 LEU HG 1.0 1.8 5.54 1172 1115 A 108 LEU H A 89 TYR HD% 1.0 1.8 5.69 1173 1116 A 108 LEU HDx% A 109 THR H 1.0 1.8 4.59 1174 1117 A 110 VAL H A 109 THR HA 1.0 1.8 4.81 1175 1118 A 109 THR H A 109 THR HB 1.0 1.8 4.82 1176 1119 A 86 GLU HGx A 109 THR HA 1.0 1.8 4.87 1177 1120 A 11 SER HA A 109 THR H 1.0 1.8 4.90 1178 1121 A 109 THR HG2% A 109 THR HA 1.0 1.8 4.93 1179 1122 A 109 THR H A 108 LEU HG 1.0 1.8 4.96 1180 1123 A 111 LEU HG A 109 THR HB 1.0 1.8 5.01 1181 1124 A 109 THR HG2% A 109 THR HB 1.0 1.8 5.10 1182 1125 A 11 SER H A 109 THR H 1.0 1.8 5.29 1183 1126 A 86 GLU HGx A 109 THR HA 1.0 1.8 5.33 1184 1127 A 11 SER HBy A 109 THR H 1.0 1.8 5.42 1185 1128 A 86 GLU HGy A 109 THR HA 1.0 1.8 5.51 1186 1129 A 109 THR H A 108 LEU HG 1.0 1.8 5.61 1187 1130 A 110 VAL H A 109 THR HA 1.0 1.8 4.66 1188 1131 A 110 VAL HGy% A 110 VAL H 1.0 1.8 4.77 1189 1132 A 110 VAL HGx% A 110 VAL HB 1.0 1.8 4.82 1190 1133 A 110 VAL HB A 110 VAL HGy% 1.0 1.8 4.82 1191 1134 A 110 VAL HGx% A 110 VAL HB 1.0 1.8 4.84 1192 1135 A 110 VAL HGx% A 110 VAL HB 1.0 1.8 4.87 1193 1136 A 110 VAL HGx% A 83 THR HB 1.0 1.8 4.87 1194 1137 A 110 VAL HA A 110 VAL HGx% 1.0 1.8 4.92 1195 1138 A 109 THR HG2% A 110 VAL H 1.0 1.8 4.95 1196 1139 A 86 GLU HBy A 110 VAL H 1.0 1.8 4.96 1197 1140 A 110 VAL HB A 110 VAL HGy% 1.0 1.8 4.99 1198 1141 A 110 VAL HB A 110 VAL H 1.0 1.8 4.99 1199 1142 A 86 GLU HBy A 110 VAL HGy% 1.0 1.8 5.01 1200 1143 A 110 VAL HGx% A 110 VAL HB 1.0 1.8 5.03 1201 1144 A 110 VAL HB A 110 VAL HGy% 1.0 1.8 5.03 1202 1145 A 110 VAL HGx% A 110 VAL HB 1.0 1.8 5.05 1203 1146 A 81 LEU HG A 110 VAL HGy% 1.0 1.8 5.05 1204 1147 A 86 GLU HBy A 110 VAL HGy% 1.0 1.8 5.08 1205 1148 A 110 VAL HGx% A 110 VAL HB 1.0 1.8 5.19 1206 1149 A 110 VAL HGx% A 83 THR HB 1.0 1.8 5.22 1207 1150 A 86 GLU HGy A 110 VAL H 1.0 1.8 5.26 1208 1151 A 110 VAL HA A 111 LEU H 1.0 1.8 5.38 1209 1152 A 110 VAL HA A 110 VAL H 1.0 1.8 5.38 1210 1153 A 110 VAL HB A 110 VAL HGy% 1.0 1.8 5.40 1211 1154 A 110 VAL HGx% A 14 PRO HA 1.0 1.8 5.47 1212 1155 A 110 VAL HGx% A 111 LEU H 1.0 1.8 4.53 1213 1156 A 110 VAL HA A 111 LEU H 1.0 1.8 4.54 1214 1157 A 13 SER HA A 111 LEU H 1.0 1.8 4.54 1215 1158 A 111 LEU HBx A 111 LEU H 1.0 1.8 4.59 1216 1159 A 111 LEU HA A 111 LEU H 1.0 1.8 4.77 1217 1160 A 111 LEU HA A 111 LEU HBx 1.0 1.8 5.25 1218 1161 A 13 SER HBx A 111 LEU H 1.0 1.8 5.36 1219 1162 A 111 LEU HDx% A 111 LEU HA 1.0 1.8 5.54 1220 1163 A 110 VAL H A 111 LEU H 1.0 1.8 5.61 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 23 THR H A 5 THR O 1.0 1.50 2.30 2 2 A 5 THR O A 23 THR N 1.0 2.40 3.30 3 3 A 109 THR H A 10 VAL O 1.0 1.50 2.30 4 4 A 10 VAL O A 109 THR N 1.0 2.40 3.30 5 5 A 78 ILE H A 18 VAL O 1.0 1.50 2.30 6 6 A 18 VAL O A 78 ILE N 1.0 2.40 3.30 7 7 A 76 LEU H A 20 ILE O 1.0 1.50 2.30 8 8 A 20 ILE O A 76 LEU N 1.0 2.40 3.30 9 9 A 74 ALA H A 22 CYS O 1.0 1.50 2.30 10 10 A 22 CYS O A 74 ALA N 1.0 2.40 3.30 11 11 A 92 GLN H A 35 GLN O 1.0 1.50 2.30 12 12 A 35 GLN O A 92 GLN N 1.0 2.40 3.30 13 13 A 48 VAL H A 36 TRP O 1.0 1.50 2.30 14 14 A 36 TRP O A 48 VAL N 1.0 2.40 3.30 15 15 A 90 TYR H A 37 TYR O 1.0 1.50 2.30 16 16 A 37 TYR O A 90 TYR N 1.0 2.40 3.30 17 17 A 46 THR H A 38 GLN O 1.0 1.50 2.30 18 18 A 38 GLN O A 46 THR N 1.0 2.40 3.30 19 19 A 88 ASP H A 39 GLN O 1.0 1.50 2.30 20 20 A 39 GLN O A 88 ASP N 1.0 2.40 3.30 21 21 A 36 TRP H A 49 ILE O 1.0 1.50 2.30 22 22 A 49 ILE O A 36 TRP N 1.0 2.40 3.30 23 23 A 54 GLN H A 50 TYR O 1.0 1.50 2.30 24 24 A 50 TYR O A 54 GLN N 1.0 2.40 3.30 25 25 A 50 TYR H A 54 GLN O 1.0 1.50 2.30 26 26 A 54 GLN O A 50 TYR N 1.0 2.40 3.30 27 27 A 77 THR H A 64 SER O 1.0 1.50 2.30 28 28 A 64 SER O A 77 THR N 1.0 2.40 3.30 29 29 A 75 SER H A 66 SER O 1.0 1.50 2.30 30 30 A 66 SER O A 75 SER N 1.0 2.40 3.30 31 31 A 66 SER H A 75 SER O 1.0 1.50 2.30 32 32 A 75 SER O A 66 SER N 1.0 2.40 3.30 33 33 A 20 ILE H A 76 LEU O 1.0 1.50 2.30 34 34 A 76 LEU O A 20 ILE N 1.0 2.40 3.30 35 35 A 64 SER H A 77 THR O 1.0 1.50 2.30 36 36 A 77 THR O A 64 SER N 1.0 2.40 3.30 37 37 A 18 VAL H A 78 ILE O 1.0 1.50 2.30 38 38 A 78 ILE O A 18 VAL N 1.0 2.40 3.30 39 39 A 108 LEU H A 87 ALA O 1.0 1.50 2.30 40 40 A 87 ALA O A 108 LEU N 1.0 2.40 3.30 41 41 A 39 GLN H A 88 ASP O 1.0 1.50 2.30 42 42 A 88 ASP O A 39 GLN N 1.0 2.40 3.30 43 43 A 106 THR H A 89 TYR O 1.0 1.50 2.30 44 44 A 89 TYR O A 106 THR N 1.0 2.40 3.30 45 45 A 37 TYR H A 90 TYR O 1.0 1.50 2.30 46 46 A 90 TYR O A 37 TYR N 1.0 2.40 3.30 47 47 A 103 GLY H A 91 CYS O 1.0 1.50 2.30 48 48 A 91 CYS O A 103 GLY N 1.0 2.40 3.30 49 49 A 35 GLN H A 92 GLN O 1.0 1.50 2.30 50 50 A 92 GLN O A 35 GLN N 1.0 2.40 3.30 51 51 A 101 VAL H A 93 SER O 1.0 1.50 2.30 52 52 A 93 SER O A 101 VAL N 1.0 2.40 3.30 53 53 A 93 SER H A 101 VAL O 1.0 1.50 2.30 54 54 A 101 VAL O A 93 SER N 1.0 2.40 3.30 55 55 A 106 THR O A 89 TYR H 1.0 1.50 2.30 56 56 A 106 THR O A 89 TYR N 1.0 2.40 3.30 57 57 A 10 VAL H A 107 LYS O 1.0 1.50 2.30 58 58 A 107 LYS O A 10 VAL N 1.0 2.40 3.30 59 59 A 87 ALA H A 108 LEU O 1.0 1.50 2.30 60 60 A 108 LEU O A 87 ALA N 1.0 2.40 3.30 61 61 A 12 GLU H A 109 THR O 1.0 1.50 2.30 62 62 A 109 THR O A 12 GLU N 1.0 2.40 3.30 63 63 A 22 CYS SG A 91 CYS SG 1.0 1.92 2.12 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 ASN C A 2 PHE N A 2 PHE CA A 2 PHE C 1.0 -217.0 -49.0 PHI 2 2 A 2 PHE C A 3 MET N A 3 MET CA A 3 MET C 1.0 -165.0 -81.0 PHI 3 3 A 3 MET C A 4 LEU N A 4 LEU CA A 4 LEU C 1.0 -137.0 -89.0 PHI 4 4 A 4 LEU C A 5 THR N A 5 THR CA A 5 THR C 1.0 -140.0 -72.0 PHI 5 5 A 5 THR C A 6 GLN N A 6 GLN CA A 6 GLN C 1.0 -146.0 -70.0 PHI 6 6 A 6 GLN C A 7 PRO N A 7 PRO CA A 7 PRO C 1.0 -76.0 -40.0 PHI 7 7 A 8 HIS C A 9 SER N A 9 SER CA A 9 SER C 1.0 -165.0 -65.0 PHI 8 8 A 9 SER C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -166.0 -98.0 PHI 9 9 A 10 VAL C A 11 SER N A 11 SER CA A 11 SER C 1.0 -151.0 -71.0 PHI 10 10 A 11 SER C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -156.0 -112.0 PHI 11 11 A 12 GLU C A 13 SER N A 13 SER CA A 13 SER C 1.0 -155.0 -27.0 PHI 12 12 A 13 SER C A 14 PRO N A 14 PRO CA A 14 PRO C 1.0 -73.0 -45.0 PHI 13 13 A 14 PRO C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 62.0 118.0 PHI 14 14 A 15 GLY C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -111.0 -67.0 PHI 15 15 A 16 LYS C A 17 THR N A 17 THR CA A 17 THR C 1.0 -139.0 -87.0 PHI 16 16 A 17 THR C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -150.0 -98.0 PHI 17 17 A 18 VAL C A 19 THR N A 19 THR CA A 19 THR C 1.0 -132.0 -84.0 PHI 18 18 A 19 THR C A 20 ILE N A 20 ILE CA A 20 ILE C 1.0 -162.0 -90.0 PHI 19 19 A 20 ILE C A 21 SER N A 21 SER CA A 21 SER C 1.0 -151.0 -75.0 PHI 20 20 A 21 SER C A 22 CYS N A 22 CYS CA A 22 CYS C 1.0 -151.0 -119.0 PHI 21 21 A 22 CYS C A 23 THR N A 23 THR CA A 23 THR C 1.0 -137.0 -61.0 PHI 22 22 A 23 THR C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -108.0 -60.0 PHI 23 23 A 24 ARG C A 25 SER N A 25 SER CA A 25 SER C 1.0 -107.0 -43.0 PHI 24 24 A 27 GLY C A 28 SER N A 28 SER CA A 28 SER C 1.0 -129.0 -49.0 PHI 25 25 A 28 SER C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -135.0 -43.0 PHI 26 26 A 29 ILE C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -153.0 -41.0 PHI 27 27 A 30 ALA C A 31 SER N A 31 SER CA A 31 SER C 1.0 -114.0 -50.0 PHI 28 28 A 31 SER C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -218.0 -54.0 PHI 29 29 A 32 ASN C A 33 TYR N A 33 TYR CA A 33 TYR C 1.0 -139.0 -71.0 PHI 30 30 A 33 TYR C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -138.0 -98.0 PHI 31 31 A 34 VAL C A 35 GLN N A 35 GLN CA A 35 GLN C 1.0 -147.0 -107.0 PHI 32 32 A 35 GLN C A 36 TRP N A 36 TRP CA A 36 TRP C 1.0 -153.0 -89.0 PHI 33 33 A 36 TRP C A 37 TYR N A 37 TYR CA A 37 TYR C 1.0 -153.0 -105.0 PHI 34 34 A 37 TYR C A 38 GLN N A 38 GLN CA A 38 GLN C 1.0 -172.0 -92.0 PHI 35 35 A 38 GLN C A 39 GLN N A 39 GLN CA A 39 GLN C 1.0 -177.0 -53.0 PHI 36 36 A 39 GLN C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -182.0 -50.0 PHI 37 37 A 40 ARG C A 41 PRO N A 41 PRO CA A 41 PRO C 1.0 -81.0 -41.0 PHI 38 38 A 41 PRO C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 69.0 117.0 PHI 39 39 A 42 GLY C A 43 SER N A 43 SER CA A 43 SER C 1.0 -157.0 -49.0 PHI 40 40 A 43 SER C A 44 SER N A 44 SER CA A 44 SER C 1.0 -170.0 -46.0 PHI 41 41 A 44 SER C A 45 PRO N A 45 PRO CA A 45 PRO C 1.0 -84.0 -48.0 PHI 42 42 A 45 PRO C A 46 THR N A 46 THR CA A 46 THR C 1.0 -149.0 -77.0 PHI 43 43 A 46 THR C A 47 THR N A 47 THR CA A 47 THR C 1.0 -85.0 -61.0 PHI 44 44 A 47 THR C A 48 VAL N A 48 VAL CA A 48 VAL C 1.0 -136.0 -84.0 PHI 45 45 A 48 VAL C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -145.0 -105.0 PHI 46 46 A 49 ILE C A 50 TYR N A 50 TYR CA A 50 TYR C 1.0 -181.0 -97.0 PHI 47 47 A 50 TYR C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 45.0 61.0 PHI 48 48 A 51 GLU C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 46.0 70.0 PHI 49 49 A 52 ASP C A 53 ASN N A 53 ASN CA A 53 ASN C 1.0 -126.0 -66.0 PHI 50 50 A 53 ASN C A 54 GLN N A 54 GLN CA A 54 GLN C 1.0 -248.0 12.0 PHI 51 51 A 54 GLN C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -155.0 -63.0 PHI 52 52 A 55 ARG C A 56 PRO N A 56 PRO CA A 56 PRO C 1.0 -86.0 -46.0 PHI 53 53 A 57 SER C A 58 GLY N A 58 GLY CA A 58 GLY C 1.0 61.0 113.0 PHI 54 54 A 58 GLY C A 59 VAL N A 59 VAL CA A 59 VAL C 1.0 -144.0 -60.0 PHI 55 55 A 59 VAL C A 60 PRO N A 60 PRO CA A 60 PRO C 1.0 -70.0 -46.0 PHI 56 56 A 62 ARG C A 63 PHE N A 63 PHE CA A 63 PHE C 1.0 -137.0 -49.0 PHI 57 57 A 63 PHE C A 64 SER N A 64 SER CA A 64 SER C 1.0 -177.0 -85.0 PHI 58 58 A 65 GLY C A 66 SER N A 66 SER CA A 66 SER C 1.0 -180.0 -60.0 PHI 59 59 A 66 SER C A 67 ILE N A 67 ILE CA A 67 ILE C 1.0 -155.0 -111.0 PHI 60 60 A 67 ILE C A 68 ASP N A 68 ASP CA A 68 ASP C 1.0 -166.0 -50.0 PHI 61 61 A 68 ASP C A 69 SER N A 69 SER CA A 69 SER C 1.0 -116.0 -68.0 PHI 62 62 A 70 SER C A 71 SER N A 71 SER CA A 71 SER C 1.0 -126.0 -82.0 PHI 63 63 A 72 ASN C A 73 SER N A 73 SER CA A 73 SER C 1.0 -181.0 -93.0 PHI 64 64 A 73 SER C A 74 ALA N A 74 ALA CA A 74 ALA C 1.0 -153.0 -101.0 PHI 65 65 A 74 ALA C A 75 SER N A 75 SER CA A 75 SER C 1.0 -137.0 -85.0 PHI 66 66 A 75 SER C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -144.0 -72.0 PHI 67 67 A 76 LEU C A 77 THR N A 77 THR CA A 77 THR C 1.0 -134.0 -94.0 PHI 68 68 A 77 THR C A 78 ILE N A 78 ILE CA A 78 ILE C 1.0 -144.0 -84.0 PHI 69 69 A 78 ILE C A 79 SER N A 79 SER CA A 79 SER C 1.0 -166.0 -70.0 PHI 70 70 A 79 SER C A 80 GLY N A 80 GLY CA A 80 GLY C 1.0 36.0 80.0 PHI 71 71 A 80 GLY C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -107.0 -43.0 PHI 72 72 A 81 LEU C A 82 LYS N A 82 LYS CA A 82 LYS C 1.0 -171.0 -55.0 PHI 73 73 A 82 LYS C A 83 THR N A 83 THR CA A 83 THR C 1.0 -70.0 -46.0 PHI 74 74 A 83 THR C A 84 GLU N A 84 GLU CA A 84 GLU C 1.0 -82.0 -54.0 PHI 75 75 A 84 GLU C A 85 ASP N A 85 ASP CA A 85 ASP C 1.0 -123.0 -67.0 PHI 76 76 A 85 ASP C A 86 GLU N A 86 GLU CA A 86 GLU C 1.0 -117.0 -33.0 PHI 77 77 A 86 GLU C A 87 ALA N A 87 ALA CA A 87 ALA C 1.0 -169.0 -61.0 PHI 78 78 A 87 ALA C A 88 ASP N A 88 ASP CA A 88 ASP C 1.0 -229.0 -17.0 PHI 79 79 A 88 ASP C A 89 TYR N A 89 TYR CA A 89 TYR C 1.0 -146.0 -106.0 PHI 80 80 A 89 TYR C A 90 TYR N A 90 TYR CA A 90 TYR C 1.0 -151.0 -87.0 PHI 81 81 A 90 TYR C A 91 CYS N A 91 CYS CA A 91 CYS C 1.0 -155.0 -119.0 PHI 82 82 A 91 CYS C A 92 GLN N A 92 GLN CA A 92 GLN C 1.0 -161.0 -109.0 PHI 83 83 A 92 GLN C A 93 SER N A 93 SER CA A 93 SER C 1.0 -135.0 -71.0 PHI 84 84 A 93 SER C A 94 TYR N A 94 TYR CA A 94 TYR C 1.0 -159.0 -119.0 PHI 85 85 A 95 ASP C A 96 SER N A 96 SER CA A 96 SER C 1.0 45.0 77.0 PHI 86 86 A 99 HIS C A 100 VAL N A 100 VAL CA A 100 VAL C 1.0 -198.0 -86.0 PHI 87 87 A 100 VAL C A 101 VAL N A 101 VAL CA A 101 VAL C 1.0 -194.0 -54.0 PHI 88 88 A 101 VAL C A 102 PHE N A 102 PHE CA A 102 PHE C 1.0 -165.0 -113.0 PHI 89 89 A 105 GLY C A 106 THR N A 106 THR CA A 106 THR C 1.0 -168.0 -100.0 PHI 90 90 A 106 THR C A 107 LYS N A 107 LYS CA A 107 LYS C 1.0 -129.0 -53.0 PHI 91 91 A 107 LYS C A 108 LEU N A 108 LEU CA A 108 LEU C 1.0 -147.0 -67.0 PHI 92 92 A 108 LEU C A 109 THR N A 109 THR CA A 109 THR C 1.0 -132.0 -100.0 PHI 93 93 A 109 THR C A 110 VAL N A 110 VAL CA A 110 VAL C 1.0 -139.0 -63.0 PHI 94 94 A 2 PHE N A 2 PHE CA A 2 PHE C A 3 MET N 1.0 83.0 207.0 PSI 95 95 A 3 MET N A 3 MET CA A 3 MET C A 4 LEU N 1.0 110.0 170.0 PSI 96 96 A 4 LEU N A 4 LEU CA A 4 LEU C A 5 THR N 1.0 103.0 143.0 PSI 97 97 A 5 THR N A 5 THR CA A 5 THR C A 6 GLN N 1.0 97.0 145.0 PSI 98 98 A 6 GLN N A 6 GLN CA A 6 GLN C A 7 PRO N 1.0 96.0 188.0 PSI 99 99 A 7 PRO N A 7 PRO CA A 7 PRO C A 8 HIS N 1.0 124.0 172.0 PSI 100 100 A 9 SER N A 9 SER CA A 9 SER C A 10 VAL N 1.0 122.0 182.0 PSI 101 101 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 SER N 1.0 112.0 188.0 PSI 102 102 A 11 SER N A 11 SER CA A 11 SER C A 12 GLU N 1.0 126.0 158.0 PSI 103 103 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 SER N 1.0 126.0 166.0 PSI 104 104 A 13 SER N A 13 SER CA A 13 SER C A 14 PRO N 1.0 98.0 198.0 PSI 105 105 A 14 PRO N A 14 PRO CA A 14 PRO C A 15 GLY N 1.0 118.0 166.0 PSI 106 106 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 LYS N 1.0 -38.0 14.0 PSI 107 107 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 THR N 1.0 60.0 220.0 PSI 108 108 A 17 THR N A 17 THR CA A 17 THR C A 18 VAL N 1.0 116.0 164.0 PSI 109 109 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 THR N 1.0 121.0 161.0 PSI 110 110 A 19 THR N A 19 THR CA A 19 THR C A 20 ILE N 1.0 115.0 139.0 PSI 111 111 A 20 ILE N A 20 ILE CA A 20 ILE C A 21 SER N 1.0 108.0 156.0 PSI 112 112 A 21 SER N A 21 SER CA A 21 SER C A 22 CYS N 1.0 97.0 169.0 PSI 113 113 A 22 CYS N A 22 CYS CA A 22 CYS C A 23 THR N 1.0 112.0 164.0 PSI 114 114 A 23 THR N A 23 THR CA A 23 THR C A 24 ARG N 1.0 106.0 142.0 PSI 115 115 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 SER N 1.0 79.0 155.0 PSI 116 116 A 25 SER N A 25 SER CA A 25 SER C A 26 SER N 1.0 -58.0 10.0 PSI 117 117 A 28 SER N A 28 SER CA A 28 SER C A 29 ILE N 1.0 96.0 168.0 PSI 118 118 A 29 ILE N A 29 ILE CA A 29 ILE C A 30 ALA N 1.0 -64.0 20.0 PSI 119 119 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 SER N 1.0 -233.0 247.0 PSI 120 120 A 31 SER N A 31 SER CA A 31 SER C A 32 ASN N 1.0 -71.0 9.0 PSI 121 121 A 32 ASN N A 32 ASN CA A 32 ASN C A 33 TYR N 1.0 136.0 176.0 PSI 122 122 A 33 TYR N A 33 TYR CA A 33 TYR C A 34 VAL N 1.0 113.0 149.0 PSI 123 123 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 GLN N 1.0 108.0 148.0 PSI 124 124 A 35 GLN N A 35 GLN CA A 35 GLN C A 36 TRP N 1.0 142.0 178.0 PSI 125 125 A 36 TRP N A 36 TRP CA A 36 TRP C A 37 TYR N 1.0 121.0 165.0 PSI 126 126 A 37 TYR N A 37 TYR CA A 37 TYR C A 38 GLN N 1.0 117.0 149.0 PSI 127 127 A 38 GLN N A 38 GLN CA A 38 GLN C A 39 GLN N 1.0 108.0 148.0 PSI 128 128 A 39 GLN N A 39 GLN CA A 39 GLN C A 40 ARG N 1.0 115.0 203.0 PSI 129 129 A 40 ARG N A 40 ARG CA A 40 ARG C A 41 PRO N 1.0 27.0 247.0 PSI 130 130 A 41 PRO N A 41 PRO CA A 41 PRO C A 42 GLY N 1.0 127.0 155.0 PSI 131 131 A 42 GLY N A 42 GLY CA A 42 GLY C A 43 SER N 1.0 -34.0 10.0 PSI 132 132 A 43 SER N A 43 SER CA A 43 SER C A 44 SER N 1.0 68.0 220.0 PSI 133 133 A 44 SER N A 44 SER CA A 44 SER C A 45 PRO N 1.0 92.0 216.0 PSI 134 134 A 45 PRO N A 45 PRO CA A 45 PRO C A 46 THR N 1.0 121.0 173.0 PSI 135 135 A 46 THR N A 46 THR CA A 46 THR C A 47 THR N 1.0 98.0 146.0 PSI 136 136 A 47 THR N A 47 THR CA A 47 THR C A 48 VAL N 1.0 116.0 160.0 PSI 137 137 A 48 VAL N A 48 VAL CA A 48 VAL C A 49 ILE N 1.0 -28.0 16.0 PSI 138 138 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 TYR N 1.0 132.0 176.0 PSI 139 139 A 50 TYR N A 50 TYR CA A 50 TYR C A 51 GLU N 1.0 133.0 189.0 PSI 140 140 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 ASP N 1.0 25.0 53.0 PSI 141 141 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 ASN N 1.0 22.0 50.0 PSI 142 142 A 53 ASN N A 53 ASN CA A 53 ASN C A 54 GLN N 1.0 -46.0 30.0 PSI 143 143 A 54 GLN N A 54 GLN CA A 54 GLN C A 55 ARG N 1.0 69.0 197.0 PSI 144 144 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 PRO N 1.0 109.0 205.0 PSI 145 145 A 56 PRO N A 56 PRO CA A 56 PRO C A 57 SER N 1.0 121.0 161.0 PSI 146 146 A 58 GLY N A 58 GLY CA A 58 GLY C A 59 VAL N 1.0 -28.0 36.0 PSI 147 147 A 59 VAL N A 59 VAL CA A 59 VAL C A 60 PRO N 1.0 109.0 157.0 PSI 148 148 A 60 PRO N A 60 PRO CA A 60 PRO C A 61 ASP N 1.0 116.0 164.0 PSI 149 149 A 63 PHE N A 63 PHE CA A 63 PHE C A 64 SER N 1.0 116.0 172.0 PSI 150 150 A 64 SER N A 64 SER CA A 64 SER C A 65 GLY N 1.0 119.0 179.0 PSI 151 151 A 66 SER N A 66 SER CA A 66 SER C A 67 ILE N 1.0 139.0 179.0 PSI 152 152 A 67 ILE N A 67 ILE CA A 67 ILE C A 68 ASP N 1.0 102.0 186.0 PSI 153 153 A 68 ASP N A 68 ASP CA A 68 ASP C A 69 SER N 1.0 50.0 214.0 PSI 154 154 A 69 SER N A 69 SER CA A 69 SER C A 70 SER N 1.0 -23.0 33.0 PSI 155 155 A 71 SER N A 71 SER CA A 71 SER C A 72 ASN N 1.0 -20.0 24.0 PSI 156 156 A 73 SER N A 73 SER CA A 73 SER C A 74 ALA N 1.0 139.0 175.0 PSI 157 157 A 74 ALA N A 74 ALA CA A 74 ALA C A 75 SER N 1.0 112.0 180.0 PSI 158 158 A 75 SER N A 75 SER CA A 75 SER C A 76 LEU N 1.0 113.0 153.0 PSI 159 159 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 THR N 1.0 92.0 140.0 PSI 160 160 A 77 THR N A 77 THR CA A 77 THR C A 78 ILE N 1.0 108.0 148.0 PSI 161 161 A 78 ILE N A 78 ILE CA A 78 ILE C A 79 SER N 1.0 100.0 148.0 PSI 162 162 A 79 SER N A 79 SER CA A 79 SER C A 80 GLY N 1.0 100.0 200.0 PSI 163 163 A 80 GLY N A 80 GLY CA A 80 GLY C A 81 LEU N 1.0 -16.0 80.0 PSI 164 164 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 LYS N 1.0 113.0 169.0 PSI 165 165 A 82 LYS N A 82 LYS CA A 82 LYS C A 83 THR N 1.0 145.0 185.0 PSI 166 166 A 83 THR N A 83 THR CA A 83 THR C A 84 GLU N 1.0 -53.0 -13.0 PSI 167 167 A 84 GLU N A 84 GLU CA A 84 GLU C A 85 ASP N 1.0 -49.0 27.0 PSI 168 168 A 85 ASP N A 85 ASP CA A 85 ASP C A 86 GLU N 1.0 -50.0 46.0 PSI 169 169 A 86 GLU N A 86 GLU CA A 86 GLU C A 87 ALA N 1.0 121.0 153.0 PSI 170 170 A 87 ALA N A 87 ALA CA A 87 ALA C A 88 ASP N 1.0 117.0 177.0 PSI 171 171 A 88 ASP N A 88 ASP CA A 88 ASP C A 89 TYR N 1.0 128.0 192.0 PSI 172 172 A 89 TYR N A 89 TYR CA A 89 TYR C A 90 TYR N 1.0 133.0 165.0 PSI 173 173 A 90 TYR N A 90 TYR CA A 90 TYR C A 91 CYS N 1.0 118.0 154.0 PSI 174 174 A 91 CYS N A 91 CYS CA A 91 CYS C A 92 GLN N 1.0 141.0 173.0 PSI 175 175 A 92 GLN N A 92 GLN CA A 92 GLN C A 93 SER N 1.0 115.0 151.0 PSI 176 176 A 93 SER N A 93 SER CA A 93 SER C A 94 TYR N 1.0 119.0 183.0 PSI 177 177 A 94 TYR N A 94 TYR CA A 94 TYR C A 95 ASP N 1.0 131.0 183.0 PSI 178 178 A 96 SER N A 96 SER CA A 96 SER C A 97 SER N 1.0 23.0 51.0 PSI 179 179 A 100 VAL N A 100 VAL CA A 100 VAL C A 101 VAL N 1.0 112.0 188.0 PSI 180 180 A 101 VAL N A 101 VAL CA A 101 VAL C A 102 PHE N 1.0 121.0 189.0 PSI 181 181 A 102 PHE N A 102 PHE CA A 102 PHE C A 103 GLY N 1.0 137.0 181.0 PSI 182 182 A 106 THR N A 106 THR CA A 106 THR C A 107 LYS N 1.0 106.0 146.0 PSI 183 183 A 107 LYS N A 107 LYS CA A 107 LYS C A 108 LEU N 1.0 87.0 151.0 PSI 184 184 A 108 LEU N A 108 LEU CA A 108 LEU C A 109 THR N 1.0 102.0 146.0 PSI 185 185 A 109 THR N A 109 THR CA A 109 THR C A 110 VAL N 1.0 107.0 151.0 PSI 186 186 A 110 VAL N A 110 VAL CA A 110 VAL C A 111 LEU N 1.0 101.0 141.0 PSI stop_ save_