data_nef_c25675_2n4p 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 2N4P stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ALA middle . . 3 A 3 GLY middle . false 4 A 4 SER middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 HIS middle . . 10 A 10 HIS middle . . 11 A 11 GLY middle . false 12 A 12 SER middle . . 13 A 13 MET middle . . 14 A 14 SER middle . . 15 A 15 GLU middle . . 16 A 16 TYR middle . . 17 A 17 ILE middle . . 18 A 18 ARG middle . . 19 A 19 VAL middle . . 20 A 20 THR middle . . 21 A 21 GLU middle . . 22 A 22 ASP middle . . 23 A 23 GLU middle . . 24 A 24 ASN middle . . 25 A 25 ASP middle . . 26 A 26 GLU middle . . 27 A 27 PRO middle . false 28 A 28 ILE middle . . 29 A 29 GLU middle . . 30 A 30 ILE middle . . 31 A 31 PRO middle . false 32 A 32 SER middle . . 33 A 33 GLU middle . . 34 A 34 ASP middle . . 35 A 35 ASP middle . . 36 A 36 GLY middle . false 37 A 37 THR middle . . 38 A 38 VAL middle . . 39 A 39 LEU middle . . 40 A 40 LEU middle . . 41 A 41 SER middle . . 42 A 42 THR middle . . 43 A 43 VAL middle . . 44 A 44 THR middle . . 45 A 45 ALA middle . . 46 A 46 GLN middle . . 47 A 47 PHE middle . . 48 A 48 PRO middle . false 49 A 49 GLY middle . false 50 A 50 ALA middle . . 51 A 51 CYS middle . . 52 A 52 GLY middle . false 53 A 53 LEU middle . . 54 A 54 ARG middle . . 55 A 55 TYR middle . . 56 A 56 ARG middle . . 57 A 57 ASN middle . . 58 A 58 PRO middle . false 59 A 59 VAL middle . . 60 A 60 SER middle . . 61 A 61 GLN middle . . 62 A 62 CYS middle . . 63 A 63 MET middle . . 64 A 64 ARG middle . . 65 A 65 GLY middle . false 66 A 66 VAL middle . . 67 A 67 ARG middle . . 68 A 68 LEU middle . . 69 A 69 VAL middle . . 70 A 70 GLU middle . . 71 A 71 GLY middle . false 72 A 72 ILE middle . . 73 A 73 LEU middle . . 74 A 74 HIS middle . . 75 A 75 ALA middle . . 76 A 76 PRO middle . false 77 A 77 ASP middle . . 78 A 78 ALA middle . . 79 A 79 GLY middle . false 80 A 80 TRP middle . . 81 A 81 GLY middle . false 82 A 82 ASN middle . . 83 A 83 LEU middle . . 84 A 84 VAL middle . . 85 A 85 TYR middle . . 86 A 86 VAL middle . . 87 A 87 VAL middle . . 88 A 88 ASN middle . . 89 A 89 TYR 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 3 GLY HAx H 1 3.899 0.020 A 3 GLY HAy H 1 3.899 0.020 A 3 GLY C C 13 173.761 0.400 A 3 GLY CA C 13 45.130 0.400 A 4 SER H H 1 8.185 0.020 A 4 SER HA H 1 4.304 0.020 A 4 SER HBx H 1 3.676 0.020 A 4 SER HBy H 1 3.676 0.020 A 4 SER C C 13 174.600 0.400 A 4 SER CA C 13 57.900 0.400 A 4 SER CB C 13 63.800 0.400 A 4 SER N N 15 115.011 0.400 A 5 HIS H H 1 8.641 0.020 A 5 HIS HA H 1 4.602 0.020 A 5 HIS HBx H 1 2.986 0.020 A 5 HIS HBy H 1 3.129 0.020 A 5 HIS HD2 H 1 7.196 0.020 A 5 HIS HE1 H 1 8.534 0.020 A 5 HIS C C 13 174.200 0.400 A 5 HIS CA C 13 55.268 0.400 A 5 HIS CB C 13 29.000 0.400 A 5 HIS CD2 C 13 119.955 0.400 A 5 HIS CE1 C 13 136.549 0.400 A 5 HIS N N 15 120.326 0.400 A 6 HIS H H 1 8.555 0.020 A 6 HIS HA H 1 4.627 0.020 A 6 HIS HBx H 1 2.982 0.020 A 6 HIS HBy H 1 3.090 0.020 A 6 HIS HD2 H 1 7.196 0.020 A 6 HIS HE1 H 1 8.534 0.020 A 6 HIS C C 13 174.100 0.400 A 6 HIS CA C 13 55.268 0.400 A 6 HIS CB C 13 29.300 0.400 A 6 HIS CD2 C 13 119.955 0.400 A 6 HIS CE1 C 13 136.549 0.400 A 6 HIS N N 15 119.478 0.400 A 7 HIS H H 1 8.777 0.020 A 7 HIS HA H 1 4.581 0.020 A 7 HIS HBx H 1 2.996 0.020 A 7 HIS HBy H 1 3.102 0.020 A 7 HIS HD2 H 1 7.196 0.020 A 7 HIS HE1 H 1 8.534 0.020 A 7 HIS C C 13 174.100 0.400 A 7 HIS CA C 13 55.268 0.400 A 7 HIS CB C 13 29.300 0.400 A 7 HIS CD2 C 13 119.955 0.400 A 7 HIS CE1 C 13 136.549 0.400 A 7 HIS N N 15 120.507 0.400 A 8 HIS H H 1 8.777 0.020 A 8 HIS HA H 1 4.600 0.020 A 8 HIS HBx H 1 3.036 0.020 A 8 HIS HBy H 1 3.103 0.020 A 8 HIS HD2 H 1 7.196 0.020 A 8 HIS HE1 H 1 8.534 0.020 A 8 HIS C C 13 174.200 0.400 A 8 HIS CA C 13 55.268 0.400 A 8 HIS CB C 13 29.300 0.400 A 8 HIS CD2 C 13 119.955 0.400 A 8 HIS CE1 C 13 136.549 0.400 A 8 HIS N N 15 120.616 0.400 A 9 HIS H H 1 8.785 0.020 A 9 HIS HA H 1 4.580 0.020 A 9 HIS HBx H 1 3.082 0.020 A 9 HIS HBy H 1 3.082 0.020 A 9 HIS HD2 H 1 7.196 0.020 A 9 HIS HE1 H 1 8.534 0.020 A 9 HIS C C 13 173.990 0.400 A 9 HIS CA C 13 55.000 0.400 A 9 HIS CB C 13 29.400 0.400 A 9 HIS CD2 C 13 119.955 0.400 A 9 HIS CE1 C 13 136.549 0.400 A 9 HIS N N 15 121.131 0.400 A 10 HIS H H 1 8.769 0.020 A 10 HIS HA H 1 4.594 0.020 A 10 HIS HBx H 1 3.122 0.020 A 10 HIS HBy H 1 3.122 0.020 A 10 HIS HD2 H 1 7.196 0.020 A 10 HIS HE1 H 1 8.534 0.020 A 10 HIS C C 13 174.577 0.400 A 10 HIS CA C 13 55.268 0.400 A 10 HIS CB C 13 28.900 0.400 A 10 HIS CD2 C 13 119.955 0.400 A 10 HIS CE1 C 13 136.549 0.400 A 10 HIS N N 15 121.437 0.400 A 11 GLY H H 1 8.559 0.020 A 11 GLY HAx H 1 3.857 0.020 A 11 GLY HAy H 1 3.971 0.020 A 11 GLY C C 13 174.184 0.400 A 11 GLY CA C 13 45.340 0.400 A 11 GLY N N 15 111.579 0.400 A 12 SER H H 1 8.353 0.020 A 12 SER HA H 1 4.407 0.020 A 12 SER HBx H 1 3.807 0.020 A 12 SER HBy H 1 3.843 0.020 A 12 SER C C 13 174.817 0.400 A 12 SER CA C 13 58.529 0.400 A 12 SER CB C 13 63.780 0.400 A 12 SER N N 15 115.987 0.400 A 13 MET H H 1 8.432 0.020 A 13 MET HA H 1 4.521 0.020 A 13 MET HBx H 1 1.937 0.020 A 13 MET HBy H 1 2.065 0.020 A 13 MET HGx H 1 2.546 0.020 A 13 MET HGy H 1 2.546 0.020 A 13 MET C C 13 176.003 0.400 A 13 MET CA C 13 55.503 0.400 A 13 MET CB C 13 32.843 0.400 A 13 MET CG C 13 30.840 0.400 A 13 MET N N 15 121.805 0.400 A 14 SER H H 1 8.205 0.020 A 14 SER HA H 1 4.265 0.020 A 14 SER HBx H 1 3.752 0.020 A 14 SER HBy H 1 3.752 0.020 A 14 SER C C 13 174.055 0.400 A 14 SER N N 15 116.515 0.400 A 15 GLU H H 1 8.292 0.020 A 15 GLU HA H 1 4.235 0.020 A 15 GLU HBx H 1 1.764 0.020 A 15 GLU HBy H 1 1.959 0.020 A 15 GLU HGx H 1 2.136 0.020 A 15 GLU HGy H 1 2.244 0.020 A 15 GLU C C 13 174.900 0.400 A 15 GLU CA C 13 55.628 0.400 A 15 GLU CB C 13 30.225 0.400 A 15 GLU CG C 13 34.480 0.400 A 15 GLU N N 15 122.455 0.400 A 16 TYR H H 1 7.955 0.020 A 16 TYR HA H 1 5.061 0.020 A 16 TYR HBx H 1 2.588 0.020 A 16 TYR HBy H 1 2.660 0.020 A 16 TYR HDx H 1 6.616 0.020 A 16 TYR HDy H 1 6.616 0.020 A 16 TYR HEx H 1 6.464 0.020 A 16 TYR HEy H 1 6.464 0.020 A 16 TYR C C 13 174.935 0.400 A 16 TYR CA C 13 56.712 0.400 A 16 TYR CB C 13 41.507 0.400 A 16 TYR CDx C 13 132.977 0.400 A 16 TYR CEx C 13 117.973 0.400 A 16 TYR N N 15 118.896 0.400 A 17 ILE H H 1 8.890 0.020 A 17 ILE HA H 1 4.549 0.020 A 17 ILE HB H 1 1.381 0.020 A 17 ILE HD1% H 1 -0.510 0.020 A 17 ILE HG1x H 1 0.087 0.020 A 17 ILE HG1y H 1 0.874 0.020 A 17 ILE HG2% H 1 -0.230 0.020 A 17 ILE C C 13 174.747 0.400 A 17 ILE CA C 13 59.442 0.400 A 17 ILE CB C 13 40.859 0.400 A 17 ILE CD1 C 13 14.237 0.400 A 17 ILE CG1 C 13 25.948 0.400 A 17 ILE CG2 C 13 17.134 0.400 A 17 ILE N N 15 115.711 0.400 A 18 ARG H H 1 8.636 0.020 A 18 ARG HA H 1 4.880 0.020 A 18 ARG HBx H 1 1.903 0.020 A 18 ARG HBy H 1 2.212 0.020 A 18 ARG HDx H 1 3.087 0.020 A 18 ARG HDy H 1 3.087 0.020 A 18 ARG HE H 1 7.181 0.020 A 18 ARG HGx H 1 1.374 0.020 A 18 ARG HGy H 1 1.464 0.020 A 18 ARG C C 13 174.988 0.400 A 18 ARG CA C 13 55.844 0.400 A 18 ARG CB C 13 31.730 0.400 A 18 ARG CD C 13 44.126 0.400 A 18 ARG CG C 13 27.535 0.400 A 18 ARG N N 15 123.175 0.400 A 18 ARG NE N 15 84.395 0.400 A 19 VAL H H 1 8.916 0.020 A 19 VAL HA H 1 5.464 0.020 A 19 VAL HB H 1 1.753 0.020 A 19 VAL HGx% H 1 0.557 0.020 A 19 VAL HGy% H 1 0.761 0.020 A 19 VAL C C 13 173.984 0.400 A 19 VAL CA C 13 59.894 0.400 A 19 VAL CB C 13 35.709 0.400 A 19 VAL CGy C 13 24.180 0.400 A 19 VAL CGx C 13 22.815 0.400 A 19 VAL N N 15 122.554 0.400 A 20 THR H H 1 8.794 0.020 A 20 THR HA H 1 5.081 0.020 A 20 THR HB H 1 3.612 0.020 A 20 THR HG2% H 1 0.910 0.020 A 20 THR C C 13 172.312 0.400 A 20 THR CA C 13 57.731 0.400 A 20 THR CB C 13 71.835 0.400 A 20 THR CG2 C 13 20.737 0.400 A 20 THR N N 15 118.638 0.400 A 21 GLU H H 1 8.792 0.020 A 21 GLU HA H 1 4.174 0.020 A 21 GLU HBx H 1 2.061 0.020 A 21 GLU HBy H 1 2.328 0.020 A 21 GLU HGx H 1 2.532 0.020 A 21 GLU HGy H 1 2.637 0.020 A 21 GLU C C 13 175.258 0.400 A 21 GLU CA C 13 56.900 0.400 A 21 GLU CB C 13 28.952 0.400 A 21 GLU CG C 13 33.515 0.400 A 21 GLU N N 15 124.307 0.400 A 22 ASP H H 1 7.932 0.020 A 22 ASP HA H 1 4.604 0.020 A 22 ASP HBx H 1 2.717 0.020 A 22 ASP HBy H 1 2.717 0.020 A 22 ASP C C 13 175.387 0.400 A 22 ASP CA C 13 53.465 0.400 A 22 ASP CB C 13 42.875 0.400 A 22 ASP N N 15 117.282 0.400 A 23 GLU H H 1 9.232 0.020 A 23 GLU HA H 1 3.938 0.020 A 23 GLU HBx H 1 1.970 0.020 A 23 GLU HBy H 1 1.970 0.020 A 23 GLU HGx H 1 2.262 0.020 A 23 GLU HGy H 1 2.262 0.020 A 23 GLU C C 13 176.062 0.400 A 23 GLU CA C 13 59.442 0.400 A 23 GLU CB C 13 29.436 0.400 A 23 GLU CG C 13 36.107 0.400 A 23 GLU N N 15 123.785 0.400 A 24 ASN H H 1 8.694 0.020 A 24 ASN HA H 1 4.688 0.020 A 24 ASN HBx H 1 2.679 0.020 A 24 ASN HBy H 1 2.852 0.020 A 24 ASN HD2y H 1 7.705 0.020 A 24 ASN HD2x H 1 6.889 0.020 A 24 ASN C C 13 174.636 0.400 A 24 ASN CA C 13 53.898 0.400 A 24 ASN CB C 13 38.903 0.400 A 24 ASN N N 15 115.807 0.400 A 24 ASN ND2 N 15 114.038 0.400 A 25 ASP H H 1 7.987 0.020 A 25 ASP HA H 1 4.955 0.020 A 25 ASP HBx H 1 2.787 0.020 A 25 ASP HBy H 1 2.940 0.020 A 25 ASP C C 13 175.269 0.400 A 25 ASP CA C 13 52.190 0.400 A 25 ASP CB C 13 40.792 0.400 A 25 ASP N N 15 119.629 0.400 A 26 GLU H H 1 8.718 0.020 A 26 GLU HA H 1 4.522 0.020 A 26 GLU HBx H 1 2.047 0.020 A 26 GLU HBy H 1 2.047 0.020 A 26 GLU HGx H 1 2.541 0.020 A 26 GLU HGy H 1 2.541 0.020 A 26 GLU CA C 13 54.120 0.400 A 26 GLU CB C 13 28.899 0.400 A 26 GLU CG C 13 33.519 0.400 A 26 GLU N N 15 123.692 0.400 A 27 PRO HA H 1 4.729 0.020 A 27 PRO HBx H 1 1.859 0.020 A 27 PRO HBy H 1 1.958 0.020 A 27 PRO HDx H 1 3.685 0.020 A 27 PRO HDy H 1 3.986 0.020 A 27 PRO HGx H 1 1.832 0.020 A 27 PRO HGy H 1 1.962 0.020 A 27 PRO C C 13 176.126 0.400 A 27 PRO CA C 13 62.351 0.400 A 27 PRO CB C 13 33.519 0.400 A 27 PRO CD C 13 50.935 0.400 A 27 PRO CG C 13 27.333 0.400 A 28 ILE H H 1 9.244 0.020 A 28 ILE HA H 1 4.474 0.020 A 28 ILE HB H 1 1.928 0.020 A 28 ILE HD1% H 1 0.725 0.020 A 28 ILE HG1x H 1 1.363 0.020 A 28 ILE HG1y H 1 1.474 0.020 A 28 ILE HG2% H 1 0.897 0.020 A 28 ILE C C 13 175.181 0.400 A 28 ILE CA C 13 59.448 0.400 A 28 ILE CB C 13 40.626 0.400 A 28 ILE CD1 C 13 13.749 0.400 A 28 ILE CG1 C 13 26.978 0.400 A 28 ILE CG2 C 13 17.907 0.400 A 28 ILE N N 15 118.646 0.400 A 29 GLU H H 1 8.220 0.020 A 29 GLU HA H 1 4.905 0.020 A 29 GLU HBx H 1 1.434 0.020 A 29 GLU HBy H 1 1.710 0.020 A 29 GLU HGx H 1 1.953 0.020 A 29 GLU HGy H 1 2.300 0.020 A 29 GLU C C 13 175.739 0.400 A 29 GLU CA C 13 55.288 0.400 A 29 GLU CB C 13 29.040 0.400 A 29 GLU CG C 13 33.814 0.400 A 29 GLU N N 15 120.763 0.400 A 30 ILE H H 1 9.307 0.020 A 30 ILE HA H 1 4.746 0.020 A 30 ILE HB H 1 1.808 0.020 A 30 ILE HD1% H 1 0.684 0.020 A 30 ILE HG1x H 1 1.240 0.020 A 30 ILE HG1y H 1 1.394 0.020 A 30 ILE HG2% H 1 0.717 0.020 A 30 ILE CA C 13 55.714 0.400 A 30 ILE CB C 13 38.853 0.400 A 30 ILE CD1 C 13 12.118 0.400 A 30 ILE CG1 C 13 26.537 0.400 A 30 ILE CG2 C 13 16.860 0.400 A 30 ILE N N 15 124.950 0.400 A 31 PRO HA H 1 4.383 0.020 A 31 PRO HBx H 1 1.623 0.020 A 31 PRO HBy H 1 1.623 0.020 A 31 PRO HDx H 1 3.718 0.020 A 31 PRO HDy H 1 3.718 0.020 A 31 PRO C C 13 175.768 0.400 A 31 PRO CA C 13 62.782 0.400 A 31 PRO CB C 13 32.367 0.400 A 31 PRO CD C 13 50.918 0.400 A 31 PRO CG C 13 27.141 0.400 A 32 SER H H 1 7.835 0.020 A 32 SER HA H 1 4.567 0.020 A 32 SER HBx H 1 3.188 0.020 A 32 SER HBy H 1 3.883 0.020 A 32 SER C C 13 175.170 0.400 A 32 SER CA C 13 56.211 0.400 A 32 SER CB C 13 65.701 0.400 A 32 SER N N 15 114.522 0.400 A 33 GLU H H 1 9.229 0.020 A 33 GLU HA H 1 4.293 0.020 A 33 GLU HBx H 1 2.113 0.020 A 33 GLU HBy H 1 2.254 0.020 A 33 GLU HGx H 1 2.262 0.020 A 33 GLU HGy H 1 2.262 0.020 A 33 GLU C C 13 178.843 0.400 A 33 GLU CB C 13 30.593 0.400 A 33 GLU CG C 13 36.199 0.400 A 33 GLU N N 15 118.001 0.400 A 34 ASP H H 1 9.067 0.020 A 34 ASP HA H 1 4.272 0.020 A 34 ASP HBx H 1 2.701 0.020 A 34 ASP HBy H 1 2.701 0.020 A 34 ASP C C 13 175.680 0.400 A 34 ASP CA C 13 56.962 0.400 A 34 ASP CB C 13 40.086 0.400 A 34 ASP N N 15 122.097 0.400 A 35 ASP H H 1 7.701 0.020 A 35 ASP HA H 1 4.495 0.020 A 35 ASP HBx H 1 2.556 0.020 A 35 ASP HBy H 1 3.034 0.020 A 35 ASP C C 13 177.470 0.400 A 35 ASP CA C 13 52.916 0.400 A 35 ASP CB C 13 39.813 0.400 A 35 ASP N N 15 115.678 0.400 A 36 GLY H H 1 8.211 0.020 A 36 GLY HAx H 1 3.892 0.020 A 36 GLY HAy H 1 4.345 0.020 A 36 GLY C C 13 175.387 0.400 A 36 GLY CA C 13 45.526 0.400 A 36 GLY N N 15 107.781 0.400 A 37 THR H H 1 7.890 0.020 A 37 THR HA H 1 4.787 0.020 A 37 THR HB H 1 3.983 0.020 A 37 THR HG2% H 1 0.771 0.020 A 37 THR C C 13 175.874 0.400 A 37 THR CA C 13 61.569 0.400 A 37 THR CB C 13 71.292 0.400 A 37 THR CG2 C 13 21.447 0.400 A 37 THR N N 15 113.224 0.400 A 38 VAL H H 1 8.382 0.020 A 38 VAL HA H 1 4.347 0.020 A 38 VAL HB H 1 1.454 0.020 A 38 VAL HGx% H 1 0.114 0.020 A 38 VAL HGy% H 1 0.490 0.020 A 38 VAL C C 13 175.187 0.400 A 38 VAL CA C 13 61.037 0.400 A 38 VAL CB C 13 35.474 0.400 A 38 VAL CGy C 13 21.389 0.400 A 38 VAL CGx C 13 20.910 0.400 A 38 VAL N N 15 117.698 0.400 A 39 LEU H H 1 8.516 0.020 A 39 LEU HA H 1 4.499 0.020 A 39 LEU HBx H 1 1.690 0.020 A 39 LEU HBy H 1 2.016 0.020 A 39 LEU HDx% H 1 0.794 0.020 A 39 LEU HG H 1 1.599 0.020 A 39 LEU C C 13 178.655 0.400 A 39 LEU CA C 13 54.994 0.400 A 39 LEU CB C 13 40.660 0.400 A 39 LEU CDy C 13 25.120 0.400 A 39 LEU CDx C 13 23.015 0.400 A 39 LEU CG C 13 26.822 0.400 A 39 LEU N N 15 126.182 0.400 A 40 LEU H H 1 8.666 0.020 A 40 LEU HA H 1 3.973 0.020 A 40 LEU HBx H 1 1.675 0.020 A 40 LEU HBy H 1 1.891 0.020 A 40 LEU HDx% H 1 0.629 0.020 A 40 LEU HG H 1 0.916 0.020 A 40 LEU C C 13 178.620 0.400 A 40 LEU CA C 13 58.256 0.400 A 40 LEU CB C 13 40.998 0.400 A 40 LEU CDy C 13 21.577 0.400 A 40 LEU CG C 13 26.240 0.400 A 40 LEU N N 15 125.652 0.400 A 41 SER H H 1 8.758 0.020 A 41 SER HA H 1 4.359 0.020 A 41 SER HBx H 1 3.788 0.020 A 41 SER HBy H 1 3.877 0.020 A 41 SER C C 13 176.760 0.400 A 41 SER CA C 13 60.390 0.400 A 41 SER CB C 13 62.032 0.400 A 41 SER N N 15 112.797 0.400 A 42 THR H H 1 7.461 0.020 A 42 THR HA H 1 3.993 0.020 A 42 THR HB H 1 4.346 0.020 A 42 THR HG2% H 1 1.348 0.020 A 42 THR C C 13 176.226 0.400 A 42 THR CA C 13 65.206 0.400 A 42 THR CB C 13 67.912 0.400 A 42 THR CG2 C 13 23.921 0.400 A 42 THR N N 15 121.066 0.400 A 43 VAL H H 1 7.288 0.020 A 43 VAL HA H 1 3.594 0.020 A 43 VAL HB H 1 2.461 0.020 A 43 VAL HGx% H 1 0.777 0.020 A 43 VAL HGy% H 1 0.742 0.020 A 43 VAL C C 13 178.796 0.400 A 43 VAL CA C 13 66.808 0.400 A 43 VAL CB C 13 31.840 0.400 A 43 VAL CGy C 13 22.323 0.400 A 43 VAL CGx C 13 21.926 0.400 A 43 VAL N N 15 120.996 0.400 A 44 THR H H 1 9.189 0.020 A 44 THR HA H 1 4.202 0.020 A 44 THR HB H 1 4.354 0.020 A 44 THR HG2% H 1 1.353 0.020 A 44 THR C C 13 176.337 0.400 A 44 THR CA C 13 64.358 0.400 A 44 THR CB C 13 68.969 0.400 A 44 THR CG2 C 13 23.372 0.400 A 44 THR N N 15 113.305 0.400 A 45 ALA H H 1 7.274 0.020 A 45 ALA HA H 1 4.049 0.020 A 45 ALA HB% H 1 1.460 0.020 A 45 ALA C C 13 178.685 0.400 A 45 ALA CA C 13 54.626 0.400 A 45 ALA CB C 13 18.277 0.400 A 45 ALA N N 15 121.618 0.400 A 46 GLN H H 1 6.860 0.020 A 46 GLN HA H 1 4.130 0.020 A 46 GLN HBx H 1 1.597 0.020 A 46 GLN HBy H 1 1.634 0.020 A 46 GLN HE2y H 1 7.405 0.020 A 46 GLN HE2x H 1 6.780 0.020 A 46 GLN HGx H 1 2.126 0.020 A 46 GLN HGy H 1 2.548 0.020 A 46 GLN C C 13 174.823 0.400 A 46 GLN CA C 13 55.250 0.400 A 46 GLN CB C 13 29.920 0.400 A 46 GLN CG C 13 32.967 0.400 A 46 GLN N N 15 112.595 0.400 A 46 GLN NE2 N 15 113.135 0.400 A 47 PHE H H 1 8.344 0.020 A 47 PHE HA H 1 4.965 0.020 A 47 PHE HBx H 1 2.691 0.020 A 47 PHE HBy H 1 3.050 0.020 A 47 PHE HDx H 1 7.224 0.020 A 47 PHE HDy H 1 7.224 0.020 A 47 PHE HEx H 1 7.103 0.020 A 47 PHE HEy H 1 7.103 0.020 A 47 PHE HZ H 1 7.269 0.020 A 47 PHE CA C 13 54.741 0.400 A 47 PHE CB C 13 39.614 0.400 A 47 PHE CDx C 13 132.664 0.400 A 47 PHE CEx C 13 130.890 0.400 A 47 PHE CZ C 13 129.294 0.400 A 47 PHE N N 15 118.197 0.400 A 48 PRO HA H 1 4.440 0.020 A 48 PRO HBx H 1 1.896 0.020 A 48 PRO HBy H 1 2.306 0.020 A 48 PRO HDx H 1 3.290 0.020 A 48 PRO HDy H 1 3.664 0.020 A 48 PRO HGx H 1 1.991 0.020 A 48 PRO HGy H 1 2.062 0.020 A 48 PRO C C 13 178.626 0.400 A 48 PRO CA C 13 64.340 0.400 A 48 PRO CB C 13 31.446 0.400 A 48 PRO CD C 13 50.015 0.400 A 48 PRO CG C 13 27.591 0.400 A 49 GLY H H 1 8.849 0.020 A 49 GLY HAx H 1 3.703 0.020 A 49 GLY HAy H 1 4.415 0.020 A 49 GLY C C 13 174.307 0.400 A 49 GLY CA C 13 44.761 0.400 A 49 GLY N N 15 111.697 0.400 A 50 ALA H H 1 8.032 0.020 A 50 ALA HA H 1 3.828 0.020 A 50 ALA HB% H 1 1.261 0.020 A 50 ALA C C 13 177.534 0.400 A 50 ALA CA C 13 53.406 0.400 A 50 ALA CB C 13 20.390 0.400 A 50 ALA N N 15 122.602 0.400 A 51 CYS H H 1 9.094 0.020 A 51 CYS HA H 1 4.545 0.020 A 51 CYS HBx H 1 2.773 0.020 A 51 CYS HBy H 1 2.868 0.020 A 51 CYS C C 13 174.248 0.400 A 51 CYS CA C 13 57.407 0.400 A 51 CYS CB C 13 29.813 0.400 A 51 CYS N N 15 114.410 0.400 A 52 GLY H H 1 7.467 0.020 A 52 GLY HAx H 1 3.661 0.020 A 52 GLY HAy H 1 4.302 0.020 A 52 GLY C C 13 170.769 0.400 A 52 GLY CA C 13 44.961 0.400 A 52 GLY N N 15 106.620 0.400 A 53 LEU H H 1 8.900 0.020 A 53 LEU HA H 1 5.345 0.020 A 53 LEU HBx H 1 1.544 0.020 A 53 LEU HBy H 1 1.606 0.020 A 53 LEU HDx% H 1 0.820 0.020 A 53 LEU HDy% H 1 0.553 0.020 A 53 LEU HG H 1 1.419 0.020 A 53 LEU C C 13 175.563 0.400 A 53 LEU CA C 13 53.652 0.400 A 53 LEU CB C 13 48.585 0.400 A 53 LEU CDy C 13 24.451 0.400 A 53 LEU CDx C 13 24.236 0.400 A 53 LEU CG C 13 26.730 0.400 A 53 LEU N N 15 117.961 0.400 A 54 ARG H H 1 9.493 0.020 A 54 ARG HA H 1 5.611 0.020 A 54 ARG HBx H 1 1.666 0.020 A 54 ARG HBy H 1 1.730 0.020 A 54 ARG HDx H 1 2.898 0.020 A 54 ARG HDy H 1 3.076 0.020 A 54 ARG HE H 1 6.940 0.020 A 54 ARG HGx H 1 1.198 0.020 A 54 ARG HGy H 1 1.321 0.020 A 54 ARG C C 13 173.638 0.400 A 54 ARG CA C 13 54.447 0.400 A 54 ARG CB C 13 34.538 0.400 A 54 ARG CD C 13 43.707 0.400 A 54 ARG CG C 13 26.460 0.400 A 54 ARG N N 15 119.739 0.400 A 54 ARG NE N 15 83.767 0.400 A 55 TYR H H 1 8.972 0.020 A 55 TYR HA H 1 4.788 0.020 A 55 TYR HBx H 1 2.424 0.020 A 55 TYR HBy H 1 3.008 0.020 A 55 TYR HDx H 1 6.810 0.020 A 55 TYR HDy H 1 6.810 0.020 A 55 TYR HEx H 1 6.581 0.020 A 55 TYR HEy H 1 6.581 0.020 A 55 TYR C C 13 172.417 0.400 A 55 TYR CA C 13 55.993 0.400 A 55 TYR CB C 13 41.100 0.400 A 55 TYR CDy C 13 134.346 0.400 A 55 TYR CEy C 13 116.680 0.400 A 55 TYR N N 15 115.879 0.400 A 56 ARG H H 1 8.883 0.020 A 56 ARG HA H 1 4.283 0.020 A 56 ARG HBy H 1 1.556 0.020 A 56 ARG HDx H 1 3.056 0.020 A 56 ARG HDy H 1 3.056 0.020 A 56 ARG HE H 1 7.054 0.020 A 56 ARG HGy H 1 1.155 0.020 A 56 ARG C C 13 175.598 0.400 A 56 ARG CA C 13 55.168 0.400 A 56 ARG CB C 13 30.753 0.400 A 56 ARG CD C 13 43.242 0.400 A 56 ARG CG C 13 27.661 0.400 A 56 ARG N N 15 121.380 0.400 A 56 ARG NE N 15 84.335 0.400 A 57 ASN H H 1 8.428 0.020 A 57 ASN HA H 1 4.808 0.020 A 57 ASN HBx H 1 2.453 0.020 A 57 ASN HBy H 1 3.153 0.020 A 57 ASN HD2y H 1 7.498 0.020 A 57 ASN HD2x H 1 7.425 0.020 A 57 ASN CA C 13 51.255 0.400 A 57 ASN CB C 13 39.741 0.400 A 57 ASN N N 15 127.980 0.400 A 57 ASN ND2 N 15 114.388 0.400 A 58 PRO HA H 1 4.293 0.020 A 58 PRO HBx H 1 2.028 0.020 A 58 PRO HBy H 1 2.339 0.020 A 58 PRO HDx H 1 3.933 0.020 A 58 PRO HDy H 1 4.148 0.020 A 58 PRO HGx H 1 2.110 0.020 A 58 PRO HGy H 1 2.110 0.020 A 58 PRO C C 13 177.241 0.400 A 58 PRO CA C 13 64.592 0.400 A 58 PRO CB C 13 32.288 0.400 A 58 PRO CD C 13 50.910 0.400 A 58 PRO CG C 13 27.517 0.400 A 59 VAL H H 1 7.965 0.020 A 59 VAL HA H 1 3.909 0.020 A 59 VAL HB H 1 2.072 0.020 A 59 VAL HGx% H 1 0.976 0.020 A 59 VAL HGy% H 1 0.909 0.020 A 59 VAL C C 13 177.077 0.400 A 59 VAL CA C 13 64.722 0.400 A 59 VAL CB C 13 31.961 0.400 A 59 VAL CGx C 13 20.945 0.400 A 59 VAL CGy C 13 21.121 0.400 A 59 VAL N N 15 117.104 0.400 A 60 SER H H 1 7.691 0.020 A 60 SER HA H 1 4.427 0.020 A 60 SER HBx H 1 3.745 0.020 A 60 SER HBy H 1 4.030 0.020 A 60 SER C C 13 175.252 0.400 A 60 SER CA C 13 58.314 0.400 A 60 SER CB C 13 65.134 0.400 A 60 SER N N 15 113.119 0.400 A 61 GLN H H 1 8.309 0.020 A 61 GLN HA H 1 3.860 0.020 A 61 GLN HBx H 1 2.338 0.020 A 61 GLN HBy H 1 2.338 0.020 A 61 GLN HE2y H 1 7.312 0.020 A 61 GLN HE2x H 1 6.703 0.020 A 61 GLN HGx H 1 2.134 0.020 A 61 GLN HGy H 1 2.134 0.020 A 61 GLN C C 13 174.882 0.400 A 61 GLN CA C 13 57.336 0.400 A 61 GLN CB C 13 26.000 0.400 A 61 GLN CG C 13 33.491 0.400 A 61 GLN N N 15 115.138 0.400 A 61 GLN NE2 N 15 112.719 0.400 A 62 CYS H H 1 7.664 0.020 A 62 CYS HA H 1 4.532 0.020 A 62 CYS HBx H 1 2.744 0.020 A 62 CYS HBy H 1 2.837 0.020 A 62 CYS C C 13 174.242 0.400 A 62 CYS CA C 13 58.084 0.400 A 62 CYS CB C 13 29.256 0.400 A 62 CYS N N 15 116.568 0.400 A 63 MET H H 1 8.733 0.020 A 63 MET HA H 1 4.095 0.020 A 63 MET HBx H 1 2.000 0.020 A 63 MET HBy H 1 2.000 0.020 A 63 MET HGx H 1 2.555 0.020 A 63 MET HGy H 1 2.555 0.020 A 63 MET C C 13 176.437 0.400 A 63 MET CA C 13 54.992 0.400 A 63 MET CB C 13 32.828 0.400 A 63 MET CG C 13 30.859 0.400 A 63 MET N N 15 122.627 0.400 A 64 ARG H H 1 8.995 0.020 A 64 ARG HA H 1 4.467 0.020 A 64 ARG HBx H 1 1.477 0.020 A 64 ARG HBy H 1 1.477 0.020 A 64 ARG HDx H 1 3.128 0.020 A 64 ARG HDy H 1 3.182 0.020 A 64 ARG HE H 1 7.118 0.020 A 64 ARG HGx H 1 0.998 0.020 A 64 ARG HGy H 1 0.998 0.020 A 64 ARG C C 13 174.618 0.400 A 64 ARG CA C 13 53.788 0.400 A 64 ARG CB C 13 33.535 0.400 A 64 ARG CD C 13 43.008 0.400 A 64 ARG CG C 13 26.634 0.400 A 64 ARG N N 15 124.300 0.400 A 64 ARG NE N 15 84.526 0.400 A 65 GLY H H 1 8.474 0.020 A 65 GLY HAx H 1 3.702 0.020 A 65 GLY HAy H 1 3.702 0.020 A 65 GLY C C 13 174.589 0.400 A 65 GLY N N 15 107.0 0.400 A 66 VAL H H 1 8.313 0.020 A 66 VAL HA H 1 4.195 0.020 A 66 VAL HB H 1 1.983 0.020 A 66 VAL HGx% H 1 1.193 0.020 A 66 VAL HGy% H 1 1.203 0.020 A 66 VAL C C 13 176.220 0.400 A 66 VAL CA C 13 62.477 0.400 A 66 VAL CB C 13 32.677 0.400 A 66 VAL CGy C 13 24.858 0.400 A 66 VAL CGx C 13 23.375 0.400 A 66 VAL N N 15 124.050 0.400 A 67 ARG H H 1 9.314 0.020 A 67 ARG HA H 1 4.048 0.020 A 67 ARG HBx H 1 1.753 0.020 A 67 ARG HBy H 1 1.753 0.020 A 67 ARG HDx H 1 2.997 0.020 A 67 ARG HDy H 1 3.085 0.020 A 67 ARG HE H 1 7.133 0.020 A 67 ARG HGx H 1 1.353 0.020 A 67 ARG HGy H 1 1.353 0.020 A 67 ARG C C 13 173.497 0.400 A 67 ARG CA C 13 58.376 0.400 A 67 ARG CB C 13 30.932 0.400 A 67 ARG CD C 13 43.275 0.400 A 67 ARG CG C 13 27.528 0.400 A 67 ARG N N 15 131.490 0.400 A 67 ARG NE N 15 84.069 0.400 A 68 LEU H H 1 8.299 0.020 A 68 LEU HA H 1 5.204 0.020 A 68 LEU HBx H 1 1.489 0.020 A 68 LEU HBy H 1 1.934 0.020 A 68 LEU HDx% H 1 0.710 0.020 A 68 LEU HDy% H 1 0.725 0.020 A 68 LEU HG H 1 1.026 0.020 A 68 LEU C C 13 175.950 0.400 A 68 LEU CA C 13 53.814 0.400 A 68 LEU CB C 13 44.093 0.400 A 68 LEU CDx C 13 23.915 0.400 A 68 LEU CG C 13 27.250 0.400 A 68 LEU N N 15 130.230 0.400 A 69 VAL H H 1 9.044 0.020 A 69 VAL HA H 1 4.327 0.020 A 69 VAL HB H 1 2.024 0.020 A 69 VAL HGx% H 1 0.950 0.020 A 69 VAL HGy% H 1 0.826 0.020 A 69 VAL C C 13 176.155 0.400 A 69 VAL CA C 13 61.354 0.400 A 69 VAL CB C 13 35.105 0.400 A 69 VAL CGy C 13 21.152 0.400 A 69 VAL CGx C 13 20.596 0.400 A 69 VAL N N 15 127.090 0.400 A 70 GLU H H 1 9.646 0.020 A 70 GLU HA H 1 3.916 0.020 A 70 GLU HBy H 1 2.045 0.020 A 70 GLU HBx H 1 2.026 0.020 A 70 GLU HGx H 1 2.400 0.020 A 70 GLU HGy H 1 2.400 0.020 A 70 GLU C C 13 175.891 0.400 A 70 GLU CA C 13 56.830 0.400 A 70 GLU CB C 13 27.190 0.400 A 70 GLU CG C 13 34.512 0.400 A 70 GLU N N 15 128.672 0.400 A 71 GLY H H 1 8.417 0.020 A 71 GLY HAx H 1 3.529 0.020 A 71 GLY HAy H 1 4.198 0.020 A 71 GLY C C 13 173.327 0.400 A 71 GLY CA C 13 46.048 0.400 A 71 GLY N N 15 117.967 0.400 A 72 ILE H H 1 8.124 0.020 A 72 ILE HA H 1 4.237 0.020 A 72 ILE HB H 1 2.163 0.020 A 72 ILE HD1% H 1 0.834 0.020 A 72 ILE HG1x H 1 1.046 0.020 A 72 ILE HG1y H 1 1.564 0.020 A 72 ILE HG2% H 1 0.557 0.020 A 72 ILE C C 13 174.882 0.400 A 72 ILE CA C 13 61.428 0.400 A 72 ILE CB C 13 38.851 0.400 A 72 ILE CD1 C 13 12.335 0.400 A 72 ILE CG1 C 13 26.913 0.400 A 72 ILE CG2 C 13 17.915 0.400 A 72 ILE N N 15 123.402 0.400 A 73 LEU H H 1 9.353 0.020 A 73 LEU HA H 1 5.199 0.020 A 73 LEU HBx H 1 1.319 0.020 A 73 LEU HBy H 1 2.225 0.020 A 73 LEU HDx% H 1 0.852 0.020 A 73 LEU HDy% H 1 0.596 0.020 A 73 LEU HG H 1 1.543 0.020 A 73 LEU C C 13 175.932 0.400 A 73 LEU CA C 13 54.245 0.400 A 73 LEU CB C 13 41.882 0.400 A 73 LEU CDy C 13 26.367 0.400 A 73 LEU CDx C 13 26.123 0.400 A 73 LEU CG C 13 28.720 0.400 A 73 LEU N N 15 129.380 0.400 A 74 HIS H H 1 8.541 0.020 A 74 HIS HA H 1 4.611 0.020 A 74 HIS HBx H 1 2.693 0.020 A 74 HIS HBy H 1 2.996 0.020 A 74 HIS HE1 H 1 8.691 0.020 A 74 HIS C C 13 172.371 0.400 A 74 HIS CA C 13 53.825 0.400 A 74 HIS CB C 13 30.851 0.400 A 74 HIS CE1 C 13 136.823 0.400 A 74 HIS N N 15 120.040 0.400 A 75 ALA H H 1 8.413 0.020 A 75 ALA HA H 1 1.749 0.020 A 75 ALA HB% H 1 -0.039 0.020 A 75 ALA CA C 13 49.937 0.400 A 75 ALA CB C 13 15.948 0.400 A 75 ALA N N 15 125.980 0.400 A 76 PRO HA H 1 4.282 0.020 A 76 PRO HBx H 1 1.590 0.020 A 76 PRO HBy H 1 1.590 0.020 A 76 PRO HDx H 1 2.456 0.020 A 76 PRO HDy H 1 2.935 0.020 A 76 PRO HGx H 1 1.802 0.020 A 76 PRO HGy H 1 2.337 0.020 A 76 PRO C C 13 176.185 0.400 A 76 PRO CA C 13 62.281 0.400 A 76 PRO CB C 13 32.272 0.400 A 76 PRO CD C 13 50.907 0.400 A 76 PRO CG C 13 27.694 0.400 A 77 ASP H H 1 8.454 0.020 A 77 ASP HA H 1 4.090 0.020 A 77 ASP HBx H 1 2.536 0.020 A 77 ASP HBy H 1 2.632 0.020 A 77 ASP C C 13 176.977 0.400 A 77 ASP CA C 13 57.504 0.400 A 77 ASP CB C 13 39.910 0.400 A 77 ASP N N 15 122.297 0.400 A 78 ALA H H 1 8.032 0.020 A 78 ALA HA H 1 4.249 0.020 A 78 ALA HB% H 1 1.376 0.020 A 78 ALA C C 13 177.458 0.400 A 78 ALA CA C 13 52.724 0.400 A 78 ALA CB C 13 18.746 0.400 A 78 ALA N N 15 118.586 0.400 A 79 GLY H H 1 7.902 0.020 A 79 GLY HAx H 1 3.354 0.020 A 79 GLY HAy H 1 4.358 0.020 A 79 GLY C C 13 172.928 0.400 A 79 GLY CA C 13 43.341 0.400 A 79 GLY N N 15 107.830 0.400 A 80 TRP H H 1 8.389 0.020 A 80 TRP HA H 1 4.535 0.020 A 80 TRP HBx H 1 3.103 0.020 A 80 TRP HBy H 1 3.283 0.020 A 80 TRP HD1 H 1 7.179 0.020 A 80 TRP HE1 H 1 10.082 0.020 A 80 TRP HE3 H 1 7.040 0.020 A 80 TRP HH2 H 1 6.314 0.020 A 80 TRP HZ2 H 1 6.964 0.020 A 80 TRP HZ3 H 1 6.015 0.020 A 80 TRP C C 13 180.190 0.400 A 80 TRP CA C 13 58.670 0.400 A 80 TRP CB C 13 31.086 0.400 A 80 TRP CD1 C 13 128.300 0.400 A 80 TRP CE3 C 13 118.656 0.400 A 80 TRP CH2 C 13 122.828 0.400 A 80 TRP CZ2 C 13 114.461 0.400 A 80 TRP CZ3 C 13 120.543 0.400 A 80 TRP N N 15 119.474 0.400 A 80 TRP NE1 N 15 127.670 0.400 A 81 GLY H H 1 8.519 0.020 A 81 GLY HAx H 1 3.537 0.020 A 81 GLY HAy H 1 4.211 0.020 A 81 GLY C C 13 174.110 0.400 A 81 GLY CA C 13 45.879 0.400 A 81 GLY N N 15 103.130 0.400 A 82 ASN H H 1 8.800 0.020 A 82 ASN HA H 1 5.076 0.020 A 82 ASN HBx H 1 2.772 0.020 A 82 ASN HBy H 1 2.899 0.020 A 82 ASN HD2y H 1 7.559 0.020 A 82 ASN HD2x H 1 6.845 0.020 A 82 ASN C C 13 175.211 0.400 A 82 ASN CA C 13 51.985 0.400 A 82 ASN CB C 13 38.657 0.400 A 82 ASN N N 15 120.652 0.400 A 82 ASN ND2 N 15 111.858 0.400 A 83 LEU H H 1 6.883 0.020 A 83 LEU HA H 1 4.129 0.020 A 83 LEU HBx H 1 1.073 0.020 A 83 LEU HBy H 1 1.454 0.020 A 83 LEU HDx% H 1 1.078 0.020 A 83 LEU HDy% H 1 0.829 0.020 A 83 LEU HG H 1 1.278 0.020 A 83 LEU C C 13 174.442 0.400 A 83 LEU CA C 13 54.799 0.400 A 83 LEU CB C 13 41.857 0.400 A 83 LEU CDy C 13 24.967 0.400 A 83 LEU CDx C 13 23.756 0.400 A 83 LEU CG C 13 26.705 0.400 A 83 LEU N N 15 118.129 0.400 A 84 VAL H H 1 7.835 0.020 A 84 VAL HA H 1 4.055 0.020 A 84 VAL HB H 1 1.802 0.020 A 84 VAL HGx% H 1 0.872 0.020 A 84 VAL HGy% H 1 0.749 0.020 A 84 VAL C C 13 174.630 0.400 A 84 VAL CA C 13 62.443 0.400 A 84 VAL CB C 13 31.958 0.400 A 84 VAL CGy C 13 22.157 0.400 A 84 VAL CGx C 13 21.219 0.400 A 84 VAL N N 15 118.316 0.400 A 85 TYR H H 1 8.886 0.020 A 85 TYR HA H 1 4.697 0.020 A 85 TYR HBx H 1 2.789 0.020 A 85 TYR HBy H 1 2.984 0.020 A 85 TYR HDx H 1 7.068 0.020 A 85 TYR HDy H 1 7.068 0.020 A 85 TYR HEx H 1 6.766 0.020 A 85 TYR HEy H 1 6.766 0.020 A 85 TYR C C 13 174.313 0.400 A 85 TYR CA C 13 58.121 0.400 A 85 TYR CB C 13 40.540 0.400 A 85 TYR CDx C 13 133.746 0.400 A 85 TYR CEx C 13 118.227 0.400 A 85 TYR N N 15 128.110 0.400 A 86 VAL H H 1 9.473 0.020 A 86 VAL HA H 1 4.755 0.020 A 86 VAL HB H 1 1.624 0.020 A 86 VAL HGx% H 1 0.693 0.020 A 86 VAL HGy% H 1 0.840 0.020 A 86 VAL C C 13 176.531 0.400 A 86 VAL CA C 13 59.999 0.400 A 86 VAL CB C 13 33.419 0.400 A 86 VAL CG1 C 13 21.282 0.400 A 86 VAL N N 15 122.593 0.400 A 87 VAL H H 1 7.864 0.020 A 87 VAL HA H 1 3.787 0.020 A 87 VAL HB H 1 1.391 0.020 A 87 VAL HGx% H 1 0.108 0.020 A 87 VAL HGy% H 1 0.364 0.020 A 87 VAL C C 13 174.735 0.400 A 87 VAL CA C 13 63.726 0.400 A 87 VAL CB C 13 32.723 0.400 A 87 VAL CGy C 13 22.049 0.400 A 87 VAL CGx C 13 21.340 0.400 A 87 VAL N N 15 124.298 0.400 A 88 ASN H H 1 7.786 0.020 A 88 ASN HA H 1 4.774 0.020 A 88 ASN HBx H 1 2.130 0.020 A 88 ASN HBy H 1 2.475 0.020 A 88 ASN HD2y H 1 7.223 0.020 A 88 ASN HD2x H 1 6.368 0.020 A 88 ASN C C 13 172.900 0.400 A 88 ASN CA C 13 51.332 0.400 A 88 ASN CB C 13 40.773 0.400 A 88 ASN N N 15 123.146 0.400 A 88 ASN ND2 N 15 110.392 0.400 A 89 TYR H H 1 8.398 0.020 A 89 TYR HA H 1 4.514 0.020 A 89 TYR HBx H 1 2.546 0.020 A 89 TYR HBy H 1 3.203 0.020 A 89 TYR HDx H 1 6.972 0.020 A 89 TYR HDy H 1 6.972 0.020 A 89 TYR HEx H 1 6.610 0.020 A 89 TYR HEy H 1 6.610 0.020 A 89 TYR CA C 13 59.610 0.400 A 89 TYR CB C 13 40.519 0.400 A 89 TYR CDy C 13 133.042 0.400 A 89 TYR CEy C 13 118.004 0.400 A 89 TYR N N 15 126.770 0.400 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 18 ARG H A 18 ARG HBx 1.0 . 4.02 2 2 A 47 PHE HA A 47 PHE HD% 1.0 . 3.39 3 3 A 30 ILE H A 30 ILE HG1x 1.0 . 3.99 4 4 A 53 LEU HA A 54 ARG H 1.0 . 3.39 5 5 A 68 LEU HA A 69 VAL H 1.0 . 3.00 6 6 A 16 TYR HA A 17 ILE H 1.0 . 3.37 7 7 A 19 VAL HA A 20 THR H 1.0 . 3.30 8 8 A 54 ARG HA A 66 VAL H 1.0 . 4.44 9 9 A 88 ASN HA A 89 TYR H 1.0 . 3.53 10 10 A 87 VAL HA A 88 ASN H 1.0 . 3.18 11 11 A 86 VAL HA A 87 VAL H 1.0 . 3.07 12 12 A 53 LEU HA A 88 ASN H 1.0 . 4.42 13 13 A 30 ILE H A 29 GLU HA 1.0 . 3.29 14 14 A 27 PRO HA A 28 ILE H 1.0 . 3.11 15 15 A 66 VAL HA A 67 ARG H 1.0 . 3.49 16 16 A 40 LEU H A 72 ILE HA 1.0 . 4.11 17 17 A 37 THR HB A 38 VAL H 1.0 . 3.34 18 18 A 83 LEU HA A 84 VAL H 1.0 . 3.21 19 19 A 16 TYR HA A 32 SER H 1.0 . 4.00 20 20 A 18 ARG H A 18 ARG HBy 1.0 . 4.02 21 21 A 18 ARG HA A 19 VAL H 1.0 . 3.28 22 22 A 56 ARG H A 85 TYR HA 1.0 . 4.71 23 23 A 17 ILE H A 17 ILE HD1% 1.0 . 4.96 24 24 A 19 VAL H A 17 ILE HD1% 1.0 . 5.33 25 25 A 17 ILE H A 17 ILE HG2% 1.0 . 4.14 26 26 A 19 VAL H A 17 ILE HG1x 1.0 . 3.98 27 27 A 68 LEU HA A 72 ILE H 1.0 . 5.50 28 28 A 72 ILE H A 73 LEU HA 1.0 . 5.50 29 29 A 72 ILE H A 72 ILE HB 1.0 . 3.40 30 30 A 72 ILE H A 72 ILE HG1y 1.0 . 4.11 31 31 A 72 ILE H A 72 ILE HG2% 1.0 . 4.27 32 32 A 20 THR H A 27 PRO HA 1.0 . 4.03 33 33 A 20 THR HA A 47 PHE HZ 1.0 . 4.25 34 34 A 20 THR HA A 47 PHE HE% 1.0 . 4.41 35 35 A 20 THR HA A 85 TYR HD% 1.0 . 4.65 36 36 A 47 PHE HA A 47 PHE HE% 1.0 . 5.01 37 37 A 85 TYR HA A 85 TYR HD% 1.0 . 4.07 38 38 A 85 TYR HA A 86 VAL H 1.0 . 3.21 39 39 A 73 LEU H A 73 LEU HBx 1.0 . 3.82 40 40 A 67 ARG H A 67 ARG HGx 1.0 . 4.55 41 40 A 67 ARG H A 67 ARG HGy 1.0 . 4.55 42 41 A 73 LEU H A 73 LEU HG 1.0 . 4.07 43 42 A 88 ASN H A 87 VAL HGx% 1.0 . 3.72 44 43 A 56 ARG H A 55 TYR HBy 1.0 . 3.88 45 44 A 28 ILE H A 20 THR HA 1.0 . 4.65 46 45 A 17 ILE HD1% A 80 TRP HZ2 1.0 . 4.77 47 46 A 17 ILE HD1% A 80 TRP HD1 1.0 . 4.97 48 47 A 17 ILE HG2% A 80 TRP HD1 1.0 . 4.63 49 48 A 17 ILE HG2% A 80 TRP HZ2 1.0 . 4.89 50 49 A 80 TRP HZ2 A 75 ALA HB% 1.0 . 4.17 51 50 A 43 VAL H A 44 THR H 1.0 . 3.72 52 51 A 44 THR H A 45 ALA H 1.0 . 3.94 53 52 A 33 GLU H A 38 VAL HA 1.0 . 4.12 54 53 A 43 VAL HA A 47 PHE H 1.0 . 4.72 55 54 A 84 VAL HA A 85 TYR H 1.0 . 3.14 56 55 A 48 PRO HA A 50 ALA H 1.0 . 5.20 57 56 A 55 TYR H A 55 TYR HD% 1.0 . 3.89 58 57 A 85 TYR HD% A 85 TYR H 1.0 . 3.73 59 58 A 54 ARG H A 85 TYR HD% 1.0 . 4.80 60 59 A 85 TYR HD% A 86 VAL H 1.0 . 5.42 61 60 A 87 VAL HGx% A 21 GLU H 1.0 . 5.35 62 61 A 39 LEU H A 38 VAL HGx% 1.0 . 4.32 63 62 A 87 VAL HGx% A 85 TYR HE% 1.0 . 3.35 64 63 A 54 ARG H A 53 LEU HDy% 1.0 . 5.24 65 64 A 19 VAL H A 19 VAL HGy% 1.0 . 4.29 66 65 A 40 LEU H A 72 ILE HG2% 1.0 . 4.54 67 66 A 20 THR H A 19 VAL HGx% 1.0 . 4.45 68 67 A 20 THR H A 84 VAL HGy% 1.0 . 4.92 69 68 A 38 VAL H A 38 VAL HGy% 1.0 . 4.53 70 69 A 37 THR HG2% A 74 HIS H 1.0 . 4.55 71 70 A 38 VAL H A 37 THR HG2% 1.0 . 4.94 72 71 A 84 VAL H A 84 VAL HGx% 1.0 . 4.29 73 72 A 84 VAL H A 83 LEU HBy 1.0 . 4.11 74 73 A 88 ASN H A 87 VAL HB 1.0 . 4.34 75 74 A 74 HIS H A 67 ARG HGx 1.0 . 4.45 76 74 A 67 ARG HGy A 74 HIS H 1.0 . 4.45 77 75 A 74 HIS H A 73 LEU HBy 1.0 . 5.03 78 76 A 17 ILE H A 30 ILE HG1y 1.0 . 5.22 79 77 A 56 ARG H A 83 LEU HG 1.0 . 5.50 80 78 A 20 THR H A 84 VAL HGx% 1.0 . 4.92 81 79 A 18 ARG H A 17 ILE HG1y 1.0 . 4.42 82 80 A 40 LEU H A 72 ILE HG1y 1.0 . 3.58 83 81 A 28 ILE H A 28 ILE HG1x 1.0 . 4.77 84 82 A 54 ARG H A 53 LEU HBy 1.0 . 4.39 85 83 A 54 ARG H A 54 ARG HBx 1.0 . 3.88 86 84 A 86 VAL H A 86 VAL HB 1.0 . 4.16 87 85 A 84 VAL H A 84 VAL HGy% 1.0 . 4.29 88 86 A 55 TYR H A 54 ARG HBy 1.0 . 4.03 89 87 A 23 GLU H A 23 GLU HBx 1.0 . 3.91 90 87 A 23 GLU H A 23 GLU HBy 1.0 . 3.91 91 88 A 28 ILE H A 27 PRO HBx 1.0 . 4.08 92 89 A 44 THR HG2% A 49 GLY H 1.0 . 5.02 93 90 A 53 LEU H A 53 LEU HG 1.0 . 4.97 94 91 A 56 ARG H A 83 LEU HBx 1.0 . 4.88 95 92 A 44 THR H A 50 ALA HB% 1.0 . 5.34 96 93 A 32 SER H A 31 PRO HBx 1.0 . 4.62 97 93 A 32 SER H A 31 PRO HBy 1.0 . 4.62 98 94 A 37 THR H A 33 GLU HBy 1.0 . 5.29 99 95 A 38 VAL H A 73 LEU HBx 1.0 . 4.38 100 96 A 40 LEU H A 72 ILE HB 1.0 . 5.50 101 97 A 37 THR H A 33 GLU HBx 1.0 . 5.29 102 98 A 37 THR H A 33 GLU HGx 1.0 . 5.40 103 98 A 37 THR H A 33 GLU HGy 1.0 . 5.40 104 99 A 28 ILE H A 20 THR HB 1.0 . 4.38 105 100 A 73 LEU H A 39 LEU HA 1.0 . 4.51 106 101 A 88 ASN HA A 51 CYS H 1.0 . 5.50 107 102 A 38 VAL HA A 39 LEU H 1.0 . 3.28 108 103 A 32 SER H A 31 PRO HA 1.0 . 3.42 109 104 A 72 ILE HA A 39 LEU H 1.0 . 4.71 110 105 A 47 PHE HD% A 47 PHE H 1.0 . 3.97 111 106 A 69 VAL H A 67 ARG HE 1.0 . 4.49 112 107 A 18 ARG H A 80 TRP HE3 1.0 . 5.31 113 108 A 6 HIS H A 6 HIS HD2 1.0 . 4.85 114 109 A 69 VAL H A 72 ILE H 1.0 . 3.95 115 110 A 38 VAL H A 73 LEU H 1.0 . 4.36 116 111 A 28 ILE H A 19 VAL H 1.0 . 4.11 117 112 A 30 ILE H A 17 ILE H 1.0 . 4.33 118 113 A 65 GLY H A 64 ARG HDx 1.0 . 5.33 119 114 A 42 THR H A 43 VAL HGy% 1.0 . 4.52 120 115 A 42 THR H A 42 THR HG2% 1.0 . 4.35 121 116 A 30 ILE HG1x A 47 PHE HZ 1.0 . 4.10 122 117 A 43 VAL H A 42 THR HG2% 1.0 . 4.40 123 118 A 47 PHE HZ A 19 VAL HGy% 1.0 . 3.69 124 119 A 47 PHE HE% A 19 VAL HGy% 1.0 . 3.50 125 120 A 85 TYR HD% A 19 VAL HGy% 1.0 . 3.95 126 121 A 47 PHE HZ A 30 ILE HD1% 1.0 . 3.82 127 122 A 47 PHE HD% A 43 VAL HGy% 1.0 . 4.20 128 123 A 47 PHE HZ A 28 ILE HG2% 1.0 . 4.23 129 124 A 19 VAL HGx% A 55 TYR HE% 1.0 . 3.98 130 125 A 80 TRP HH2 A 38 VAL HGy% 1.0 . 4.81 131 126 A 80 TRP HZ2 A 38 VAL HGy% 1.0 . 4.37 132 127 A 80 TRP HZ2 A 37 THR HG2% 1.0 . 4.41 133 128 A 47 PHE HE% A 28 ILE HG2% 1.0 . 4.17 134 129 A 28 ILE HG2% A 46 GLN H 1.0 . 5.50 135 130 A 83 LEU H A 83 LEU HDy% 1.0 . 4.76 136 131 A 55 TYR HD% A 83 LEU HG 1.0 . 3.59 137 132 A 55 TYR HE% A 64 ARG HGx 1.0 . 4.76 138 132 A 55 TYR HE% A 64 ARG HGy 1.0 . 4.76 139 133 A 73 LEU HBy A 80 TRP HH2 1.0 . 3.63 140 134 A 80 TRP HH2 A 38 VAL HB 1.0 . 4.36 141 135 A 85 TYR HE% A 53 LEU HG 1.0 . 4.29 142 136 A 85 TYR HE% A 87 VAL HB 1.0 . 4.66 143 137 A 85 TYR HE% A 50 ALA HB% 1.0 . 3.98 144 138 A 80 TRP HZ2 A 38 VAL HB 1.0 . 4.00 145 139 A 67 ARG HE A 67 ARG HGx 1.0 . 4.14 146 139 A 67 ARG HGy A 67 ARG HE 1.0 . 4.14 147 140 A 47 PHE HD% A 50 ALA HB% 1.0 . 4.16 148 141 A 80 TRP HD1 A 17 ILE HB 1.0 . 5.09 149 142 A 47 PHE HD% A 46 GLN HBx 1.0 . 4.27 150 143 A 47 PHE HZ A 46 GLN HBx 1.0 . 4.79 151 144 A 47 PHE HD% A 46 GLN HBy 1.0 . 4.80 152 145 A 47 PHE HE% A 46 GLN HBx 1.0 . 4.73 153 146 A 47 PHE HE% A 46 GLN HBy 1.0 . 5.24 154 147 A 64 ARG HE A 76 PRO HBx 1.0 . 5.35 155 147 A 64 ARG HE A 76 PRO HBy 1.0 . 5.35 156 148 A 16 TYR HD% A 18 ARG HGy 1.0 . 3.95 157 149 A 16 TYR HD% A 18 ARG HGx 1.0 . 3.95 158 150 A 55 TYR HE% A 76 PRO HBx 1.0 . 4.03 159 150 A 55 TYR HE% A 76 PRO HBy 1.0 . 4.03 160 151 A 47 PHE HZ A 19 VAL HB 1.0 . 5.15 161 152 A 85 TYR HD% A 19 VAL HB 1.0 . 3.61 162 153 A 73 LEU HBx A 80 TRP HH2 1.0 . 4.04 163 154 A 47 PHE HZ A 28 ILE HB 1.0 . 5.09 164 155 A 47 PHE HE% A 28 ILE HB 1.0 . 4.62 165 156 A 47 PHE HD% A 21 GLU HBy 1.0 . 4.91 166 157 A 67 ARG HE A 69 VAL HB 1.0 . 3.70 167 158 A 47 PHE HE% A 46 GLN HGy 1.0 . 4.36 168 159 A 47 PHE HD% A 21 GLU HBx 1.0 . 4.11 169 160 A 47 PHE HE% A 21 GLU HBx 1.0 . 4.11 170 161 A 43 VAL H A 43 VAL HB 1.0 . 3.35 171 162 A 85 TYR HE% A 21 GLU HBx 1.0 . 4.28 172 163 A 55 TYR HE% A 76 PRO HGx 1.0 . 4.51 173 164 A 73 LEU HBx A 80 TRP HZ2 1.0 . 4.57 174 165 A 85 TYR HE% A 21 GLU HBy 1.0 . 4.55 175 166 A 46 GLN H A 46 GLN HGy 1.0 . 4.59 176 167 A 55 TYR HE% A 76 PRO HGy 1.0 . 4.33 177 168 A 85 TYR HD% A 53 LEU HBy 1.0 . 4.74 178 169 A 64 ARG HE A 64 ARG HBx 1.0 . 4.60 179 169 A 64 ARG HE A 64 ARG HBy 1.0 . 4.60 180 170 A 55 TYR HD% A 64 ARG HBx 1.0 . 4.82 181 170 A 55 TYR HD% A 64 ARG HBy 1.0 . 4.82 182 171 A 55 TYR HD% A 76 PRO HBx 1.0 . 4.52 183 171 A 55 TYR HD% A 76 PRO HBy 1.0 . 4.52 184 172 A 85 TYR HD% A 21 GLU HGx 1.0 . 5.33 185 173 A 47 PHE HE% A 46 GLN HGx 1.0 . 4.81 186 174 A 80 TRP HE3 A 76 PRO HDy 1.0 . 4.77 187 175 A 85 TYR HE% A 47 PHE HBx 1.0 . 5.37 188 176 A 85 TYR HE% A 21 GLU HGx 1.0 . 4.33 189 177 A 85 TYR HE% A 47 PHE HBy 1.0 . 4.62 190 178 A 52 GLY H A 88 ASN HBx 1.0 . 5.04 191 179 A 52 GLY H A 88 ASN HBy 1.0 . 5.04 192 180 A 80 TRP HD1 A 80 TRP HBx 1.0 . 3.80 193 181 A 47 PHE HD% A 43 VAL HA 1.0 . 3.93 194 182 A 43 VAL H A 40 LEU HA 1.0 . 4.19 195 183 A 55 TYR HE% A 65 GLY HAx 1.0 . 5.50 196 183 A 55 TYR HE% A 65 GLY HAy 1.0 . 5.50 197 184 A 87 VAL HA A 85 TYR HE% 1.0 . 3.94 198 185 A 80 TRP HZ2 A 32 SER HBx 1.0 . 4.42 199 186 A 50 ALA HA A 89 TYR HD% 1.0 . 4.67 200 187 A 80 TRP HD1 A 32 SER HBx 1.0 . 4.60 201 188 A 85 TYR HD% A 84 VAL HA 1.0 . 4.51 202 189 A 43 VAL H A 42 THR HB 1.0 . 3.60 203 190 A 80 TRP HE3 A 80 TRP HA 1.0 . 3.42 204 191 A 89 TYR HD% A 89 TYR HA 1.0 . 3.52 205 192 A 66 VAL HA A 55 TYR HE% 1.0 . 3.74 206 193 A 55 TYR HE% A 55 TYR HA 1.0 . 4.37 207 194 A 55 TYR HD% A 55 TYR HA 1.0 . 4.10 208 195 A 80 TRP HZ2 A 37 THR HA 1.0 . 3.42 209 196 A 80 TRP HZ2 A 74 HIS HA 1.0 . 4.17 210 197 A 6 HIS HD2 A 6 HIS HA 1.0 . 4.07 211 198 A 47 PHE HD% A 21 GLU HA 1.0 . 5.50 212 199 A 47 PHE HD% A 44 THR HA 1.0 . 5.50 213 200 A 16 TYR HA A 16 TYR HD% 1.0 . 3.98 214 201 A 18 ARG HA A 16 TYR HD% 1.0 . 5.04 215 202 A 29 GLU HA A 16 TYR HD% 1.0 . 5.41 216 203 A 54 ARG HA A 55 TYR HD% 1.0 . 4.80 217 204 A 42 THR H A 42 THR HB 1.0 . 3.83 218 205 A 45 ALA H A 46 GLN H 1.0 . 3.97 219 206 A 89 TYR H A 89 TYR HD% 1.0 . 4.58 220 207 A 47 PHE H A 46 GLN H 1.0 . 3.62 221 208 A 30 ILE H A 16 TYR HD% 1.0 . 5.20 222 209 A 67 ARG H A 55 TYR HE% 1.0 . 5.45 223 210 A 17 ILE H A 16 TYR HD% 1.0 . 4.67 224 211 A 17 ILE HG2% A 47 PHE HE% 1.0 . 4.65 225 212 A 17 ILE HD1% A 80 TRP HZ3 1.0 . 4.46 226 213 A 17 ILE HG1x A 80 TRP HZ3 1.0 . 5.50 227 214 A 17 ILE HG2% A 80 TRP HZ3 1.0 . 5.50 228 215 A 19 VAL HGy% A 80 TRP HZ3 1.0 . 5.30 229 216 A 80 TRP HZ3 A 75 ALA HA 1.0 . 4.66 230 217 A 73 LEU HG A 80 TRP HH2 1.0 . 5.01 231 218 A 17 ILE HD1% A 32 SER HBy 1.0 . 4.59 232 219 A 72 ILE HG2% A 74 HIS HBx 1.0 . 4.68 233 220 A 19 VAL HGy% A 85 TYR HBy 1.0 . 3.95 234 221 A 18 ARG HDy A 18 ARG HBy 1.0 . 4.10 235 221 A 18 ARG HBy A 18 ARG HDx 1.0 . 4.10 236 222 A 18 ARG HDy A 18 ARG HBx 1.0 . 4.10 237 222 A 18 ARG HBx A 18 ARG HDx 1.0 . 4.10 238 223 A 30 ILE HA A 31 PRO HDx 1.0 . 3.70 239 223 A 30 ILE HA A 31 PRO HDy 1.0 . 3.70 240 224 A 27 PRO HA A 20 THR HB 1.0 . 3.37 241 225 A 47 PHE HA A 48 PRO HDx 1.0 . 3.64 242 226 A 47 PHE HA A 48 PRO HDy 1.0 . 3.63 243 227 A 17 ILE HA A 80 TRP HBy 1.0 . 3.88 244 228 A 53 LEU HA A 87 VAL HA 1.0 . 3.99 245 229 A 19 VAL HA A 85 TYR HBy 1.0 . 4.40 246 230 A 80 TRP HZ3 A 76 PRO HDx 1.0 . 5.33 247 231 A 53 LEU HA A 53 LEU HG 1.0 . 4.18 248 232 A 76 PRO HDy A 80 TRP HZ3 1.0 . 4.91 249 233 A 48 PRO HA A 44 THR HG2% 1.0 . 4.80 250 234 A 44 THR HG2% A 44 THR HA 1.0 . 3.38 251 235 A 50 ALA HB% A 44 THR HA 1.0 . 4.17 252 236 A 43 VAL HA A 42 THR HG2% 1.0 . 3.91 253 237 A 42 THR HA A 45 ALA HB% 1.0 . 3.60 254 238 A 42 THR HG2% A 42 THR HA 1.0 . 3.18 255 239 A 77 ASP HA A 76 PRO HBx 1.0 . 4.41 256 239 A 76 PRO HBy A 77 ASP HA 1.0 . 4.41 257 240 A 38 VAL HA A 33 GLU HBx 1.0 . 4.44 258 241 A 38 VAL HA A 33 GLU HBy 1.0 . 4.44 259 242 A 43 VAL HB A 40 LEU HA 1.0 . 4.04 260 243 A 23 GLU HA A 23 GLU HGx 1.0 . 3.49 261 243 A 23 GLU HA A 23 GLU HGy 1.0 . 3.49 262 244 A 61 GLN HA A 61 GLN HGx 1.0 . 4.00 263 244 A 61 GLN HA A 61 GLN HGy 1.0 . 4.00 264 245 A 43 VAL HA A 46 GLN HBx 1.0 . 4.84 265 246 A 27 PRO HBx A 20 THR HB 1.0 . 4.92 266 247 A 47 PHE HBx A 44 THR HA 1.0 . 4.26 267 248 A 21 GLU HA A 21 GLU HGy 1.0 . 4.17 268 249 A 18 ARG HA A 27 PRO HBx 1.0 . 4.52 269 250 A 64 ARG HA A 64 ARG HGx 1.0 . 4.15 270 250 A 64 ARG HGy A 64 ARG HA 1.0 . 4.15 271 251 A 59 VAL HA A 59 VAL HGx% 1.0 . 3.32 272 252 A 20 THR HB A 28 ILE HG2% 1.0 . 3.73 273 253 A 30 ILE HG2% A 31 PRO HDx 1.0 . 4.16 274 253 A 31 PRO HDy A 30 ILE HG2% 1.0 . 4.16 275 254 A 37 THR HB A 72 ILE HG2% 1.0 . 3.02 276 255 A 72 ILE HA A 72 ILE HG2% 1.0 . 3.47 277 256 A 32 SER HA A 38 VAL HGy% 1.0 . 4.51 278 257 A 28 ILE HA A 28 ILE HD1% 1.0 . 4.24 279 258 A 42 THR HA A 30 ILE HG2% 1.0 . 4.94 280 259 A 37 THR HG2% A 74 HIS HA 1.0 . 3.77 281 260 A 27 PRO HA A 28 ILE HG2% 1.0 . 3.75 282 261 A 29 GLU HA A 30 ILE HG2% 1.0 . 4.68 283 262 A 74 HIS HA A 75 ALA HA 1.0 . 4.70 284 263 A 20 THR HA A 28 ILE HG2% 1.0 . 3.94 285 264 A 73 LEU HA A 73 LEU HDx% 1.0 . 4.51 286 265 A 73 LEU HA A 72 ILE HG2% 1.0 . 4.62 287 266 A 53 LEU HA A 53 LEU HDy% 1.0 . 4.35 288 267 A 19 VAL HA A 28 ILE HG2% 1.0 . 5.25 289 268 A 20 THR HA A 19 VAL HGy% 1.0 . 4.83 290 269 A 72 ILE HG2% A 80 TRP HH2 1.0 . 5.50 291 270 A 55 TYR HD% A 19 VAL HGx% 1.0 . 3.54 292 271 A 47 PHE HE% A 43 VAL HGx% 1.0 . 4.15 293 272 A 85 TYR HD% A 19 VAL HGx% 1.0 . 4.82 294 273 A 47 PHE HE% A 30 ILE HD1% 1.0 . 3.52 295 274 A 80 TRP HH2 A 75 ALA HA 1.0 . 4.84 296 275 A 88 ASN H A 88 ASN HBx 1.0 . 4.11 297 276 A 80 TRP HZ2 A 38 VAL HGx% 1.0 . 4.37 298 277 A 47 PHE HD% A 87 VAL HGx% 1.0 . 4.52 299 278 A 72 ILE HG2% A 37 THR H 1.0 . 4.58 300 279 A 30 ILE HG1x A 47 PHE HE% 1.0 . 4.92 301 280 A 85 TYR HD% A 53 LEU HG 1.0 . 5.21 302 281 A 17 ILE HG2% A 80 TRP HE3 1.0 . 5.36 303 282 A 18 ARG H A 17 ILE HG2% 1.0 . 4.44 304 283 A 39 LEU H A 38 VAL HGy% 1.0 . 4.32 305 284 A 69 VAL H A 69 VAL HGy% 1.0 . 4.02 306 285 A 44 THR H A 43 VAL HB 1.0 . 3.49 307 286 A 54 ARG H A 85 TYR HBx 1.0 . 5.06 308 287 A 86 VAL H A 85 TYR HBx 1.0 . 5.33 309 288 A 40 LEU H A 43 VAL HB 1.0 . 5.15 310 289 A 55 TYR HE% A 66 VAL HB 1.0 . 5.29 311 290 A 32 SER HBx A 38 VAL HGx% 1.0 . 4.14 312 291 A 17 ILE HD1% A 38 VAL HB 1.0 . 4.34 313 292 A 72 ILE HG1y A 72 ILE HG2% 1.0 . 3.86 314 293 A 17 ILE HG2% A 17 ILE HG1x 1.0 . 3.67 315 294 A 17 ILE HD1% A 17 ILE HG2% 1.0 . 3.23 316 295 A 87 VAL HGx% A 50 ALA HB% 1.0 . 3.32 317 296 A 17 ILE HG2% A 38 VAL HB 1.0 . 4.49 318 297 A 66 VAL HB A 53 LEU HBx 1.0 . 3.78 319 298 A 78 ALA HB% A 76 PRO HBx 1.0 . 3.22 320 298 A 76 PRO HBy A 78 ALA HB% 1.0 . 3.22 321 299 A 72 ILE HG2% A 72 ILE HG1x 1.0 . 3.49 322 300 A 28 ILE HB A 28 ILE HD1% 1.0 . 3.58 323 301 A 28 ILE HG2% A 46 GLN HGy 1.0 . 3.37 324 302 A 46 GLN HGy A 28 ILE HD1% 1.0 . 4.52 325 303 A 46 GLN HGy A 30 ILE HG2% 1.0 . 4.78 326 304 A 87 VAL HGx% A 47 PHE HBx 1.0 . 4.49 327 305 A 70 GLU HGy A 69 VAL HGx% 1.0 . 3.67 328 305 A 69 VAL HGx% A 70 GLU HGx 1.0 . 3.67 329 306 A 73 LEU HBx A 38 VAL HB 1.0 . 3.48 330 307 A 87 VAL HGx% A 21 GLU HBy 1.0 . 4.91 331 308 A 87 VAL HB A 21 GLU HGx 1.0 . 4.71 332 309 A 43 VAL HB A 40 LEU HBy 1.0 . 4.88 333 310 A 76 PRO HDy A 75 ALA HA 1.0 . 3.56 334 311 A 19 VAL HGy% A 85 TYR HBx 1.0 . 3.99 335 312 A 75 ALA HA A 76 PRO HDx 1.0 . 3.78 336 313 A 85 TYR HBx A 53 LEU HBx 1.0 . 4.90 337 314 A 53 LEU HBy A 85 TYR HBy 1.0 . 4.39 338 315 A 87 VAL HGx% A 21 GLU HGy 1.0 . 4.76 339 316 A 87 VAL HGx% A 21 GLU HA 1.0 . 3.44 340 317 A 17 ILE HG1x A 17 ILE HA 1.0 . 3.49 341 318 A 32 SER HA A 38 VAL HGx% 1.0 . 4.51 342 319 A 86 VAL HA A 87 VAL HGx% 1.0 . 4.07 343 320 A 75 ALA HB% A 80 TRP HA 1.0 . 4.12 344 321 A 80 TRP HH2 A 38 VAL HGx% 1.0 . 4.81 345 322 A 75 ALA HB% A 80 TRP HH2 1.0 . 4.91 346 323 A 75 ALA HB% A 80 TRP HZ3 1.0 . 4.81 347 324 A 48 PRO HA A 50 ALA HB% 1.0 . 5.03 348 325 A 72 ILE HG2% A 39 LEU HA 1.0 . 4.67 349 326 A 43 VAL H A 42 THR H 1.0 . 3.62 350 327 A 50 ALA H A 47 PHE HBx 1.0 . 4.16 351 328 A 72 ILE HB A 73 LEU H 1.0 . 4.63 352 329 A 69 VAL H A 72 ILE HB 1.0 . 4.61 353 330 A 73 LEU HBx A 66 VAL HGx% 1.0 . 5.50 354 331 A 73 LEU HBx A 66 VAL HGy% 1.0 . 5.50 355 332 A 86 VAL HB A 54 ARG HBy 1.0 . 2.55 356 333 A 54 ARG HBy A 54 ARG HE 1.0 . 4.94 357 334 A 80 TRP HZ2 A 75 ALA HA 1.0 . 5.50 358 335 A 68 LEU HA A 67 ARG HE 1.0 . 4.44 359 336 A 18 ARG H A 17 ILE HA 1.0 . 3.41 360 337 A 51 CYS H A 89 TYR HA 1.0 . 4.66 361 338 A 17 ILE HG2% A 19 VAL HGy% 1.0 . 4.75 362 339 A 17 ILE HD1% A 80 TRP HA 1.0 . 5.48 363 340 A 17 ILE HG2% A 32 SER HA 1.0 . 4.03 364 341 A 16 TYR HD% A 17 ILE HA 1.0 . 4.92 365 342 A 55 TYR HE% A 80 TRP HA 1.0 . 5.20 366 343 A 55 TYR HD% A 56 ARG HA 1.0 . 5.50 367 344 A 85 TYR HE% A 21 GLU HA 1.0 . 4.36 368 345 A 17 ILE HD1% A 19 VAL HGy% 1.0 . 3.29 369 346 A 17 ILE HD1% A 85 TYR HBx 1.0 . 5.50 370 347 A 17 ILE HD1% A 30 ILE HB 1.0 . 5.17 371 348 A 17 ILE HD1% A 30 ILE HG1y 1.0 . 5.12 372 349 A 17 ILE HD1% A 66 VAL HGx% 1.0 . 5.50 373 350 A 17 ILE HD1% A 66 VAL HGy% 1.0 . 5.50 374 351 A 75 ALA HB% A 17 ILE HB 1.0 . 5.09 375 352 A 75 ALA HB% A 76 PRO HBx 1.0 . 4.74 376 352 A 75 ALA HB% A 76 PRO HBy 1.0 . 4.74 377 353 A 44 THR H A 40 LEU HA 1.0 . 5.25 378 354 A 44 THR H A 42 THR HA 1.0 . 5.50 379 355 A 28 ILE H A 18 ARG HA 1.0 . 5.03 380 356 A 50 ALA H A 89 TYR HD% 1.0 . 5.43 381 357 A 54 ARG H A 53 LEU H 1.0 . 5.26 382 358 A 56 ARG H A 86 VAL H 1.0 . 5.50 383 359 A 86 VAL H A 85 TYR H 1.0 . 5.50 384 360 A 37 THR HB A 73 LEU H 1.0 . 5.04 385 361 A 73 LEU H A 40 LEU HA 1.0 . 5.50 386 362 A 30 ILE H A 16 TYR HA 1.0 . 5.50 387 363 A 18 ARG H A 17 ILE H 1.0 . 5.03 388 364 A 18 ARG H A 19 VAL H 1.0 . 5.30 389 365 A 69 VAL HA A 68 LEU HDx% 1.0 . 5.02 390 366 A 88 ASN HA A 52 GLY H 1.0 . 4.86 391 367 A 88 ASN H A 52 GLY H 1.0 . 4.71 392 368 A 17 ILE H A 32 SER H 1.0 . 5.35 393 369 A 84 VAL H A 56 ARG H 1.0 . 5.50 394 370 A 75 ALA HB% A 80 TRP HE1 1.0 . 3.88 395 371 A 70 GLU H A 69 VAL HGy% 1.0 . 4.31 396 372 A 70 GLU H A 70 GLU HGx 1.0 . 4.27 397 372 A 70 GLU HGy A 70 GLU H 1.0 . 4.27 398 373 A 70 GLU H A 69 VAL HGx% 1.0 . 4.31 399 374 A 86 VAL H A 85 TYR HBy 1.0 . 4.22 400 375 A 54 ARG H A 53 LEU HDx% 1.0 . 5.24 401 376 A 86 VAL H A 86 VAL HGx% 1.0 . 4.34 402 377 A 86 VAL H A 86 VAL HGy% 1.0 . 3.21 403 378 A 73 LEU H A 73 LEU HDx% 1.0 . 4.19 404 379 A 73 LEU H A 73 LEU HDy% 1.0 . 4.19 405 380 A 30 ILE H A 30 ILE HG1y 1.0 . 3.55 406 381 A 72 ILE HG2% A 73 LEU H 1.0 . 3.48 407 382 A 30 ILE H A 30 ILE HB 1.0 . 3.79 408 383 A 33 GLU H A 38 VAL HGy% 1.0 . 4.44 409 384 A 28 ILE H A 28 ILE HG2% 1.0 . 3.93 410 385 A 30 ILE H A 30 ILE HG2% 1.0 . 4.33 411 386 A 30 ILE H A 30 ILE HD1% 1.0 . 4.72 412 387 A 33 GLU H A 32 SER HBy 1.0 . 4.30 413 388 A 28 ILE H A 28 ILE HG1y 1.0 . 4.77 414 389 A 44 THR H A 43 VAL HGx% 1.0 . 3.66 415 390 A 33 GLU H A 38 VAL HGx% 1.0 . 4.44 416 391 A 33 GLU H A 32 SER HBx 1.0 . 4.92 417 392 A 23 GLU H A 22 ASP HBx 1.0 . 3.76 418 392 A 23 GLU H A 22 ASP HBy 1.0 . 3.76 419 393 A 23 GLU H A 23 GLU HGx 1.0 . 4.14 420 393 A 23 GLU H A 23 GLU HGy 1.0 . 4.14 421 394 A 44 THR H A 44 THR HG2% 1.0 . 3.25 422 395 A 34 ASP H A 33 GLU HGx 1.0 . 4.27 423 395 A 33 GLU HGy A 34 ASP H 1.0 . 4.27 424 396 A 50 ALA HB% A 51 CYS H 1.0 . 3.69 425 397 A 51 CYS H A 51 CYS HBx 1.0 . 4.19 426 398 A 51 CYS H A 51 CYS HBy 1.0 . 4.13 427 399 A 51 CYS H A 50 ALA HA 1.0 . 3.49 428 400 A 34 ASP H A 34 ASP HBx 1.0 . 3.39 429 400 A 34 ASP H A 34 ASP HBy 1.0 . 3.39 430 401 A 69 VAL H A 69 VAL HB 1.0 . 3.75 431 402 A 69 VAL H A 69 VAL HGx% 1.0 . 4.02 432 403 A 64 ARG H A 64 ARG HGx 1.0 . 4.07 433 403 A 64 ARG HGy A 64 ARG H 1.0 . 4.07 434 404 A 55 TYR H A 54 ARG HBx 1.0 . 4.07 435 405 A 55 TYR H A 86 VAL HB 1.0 . 4.97 436 406 A 53 LEU H A 66 VAL HB 1.0 . 4.23 437 407 A 56 ARG H A 55 TYR HBx 1.0 . 4.68 438 408 A 85 TYR H A 19 VAL HB 1.0 . 4.04 439 409 A 17 ILE H A 16 TYR HBx 1.0 . 3.97 440 410 A 17 ILE H A 16 TYR HBy 1.0 . 4.05 441 411 A 19 VAL H A 27 PRO HBx 1.0 . 4.57 442 412 A 85 TYR H A 84 VAL HB 1.0 . 4.82 443 413 A 53 LEU H A 53 LEU HBx 1.0 . 3.66 444 414 A 49 GLY H A 48 PRO HBx 1.0 . 4.20 445 415 A 19 VAL H A 19 VAL HGx% 1.0 . 3.33 446 416 A 20 THR H A 19 VAL HGy% 1.0 . 3.84 447 417 A 21 GLU H A 20 THR HB 1.0 . 5.02 448 418 A 20 THR H A 85 TYR HBy 1.0 . 4.19 449 419 A 21 GLU H A 21 GLU HGy 1.0 . 4.78 450 420 A 20 THR H A 27 PRO HBy 1.0 . 4.46 451 421 A 40 LEU HBy A 41 SER H 1.0 . 4.40 452 422 A 41 SER H A 41 SER HBx 1.0 . 4.14 453 423 A 41 SER H A 41 SER HBy 1.0 . 4.14 454 424 A 26 GLU H A 25 ASP HBx 1.0 . 4.63 455 425 A 26 GLU H A 26 GLU HGx 1.0 . 4.48 456 425 A 26 GLU H A 26 GLU HGy 1.0 . 4.48 457 426 A 63 MET H A 63 MET HGx 1.0 . 4.65 458 426 A 63 MET H A 63 MET HGy 1.0 . 4.65 459 427 A 43 VAL HB A 41 SER H 1.0 . 4.97 460 428 A 10 HIS H A 10 HIS HBx 1.0 . 3.56 461 428 A 10 HIS H A 10 HIS HBy 1.0 . 3.56 462 429 A 24 ASN H A 22 ASP HBx 1.0 . 4.00 463 429 A 22 ASP HBy A 24 ASN H 1.0 . 4.00 464 430 A 24 ASN H A 24 ASN HBx 1.0 . 4.01 465 431 A 26 GLU H A 25 ASP HBy 1.0 . 4.63 466 432 A 26 GLU H A 26 GLU HBx 1.0 . 3.37 467 432 A 26 GLU H A 26 GLU HBy 1.0 . 3.37 468 433 A 40 LEU H A 41 SER HA 1.0 . 5.45 469 434 A 40 LEU H A 40 LEU HBx 1.0 . 3.63 470 435 A 40 LEU H A 39 LEU HBy 1.0 . 4.39 471 436 A 24 ASN H A 23 GLU HGx 1.0 . 4.15 472 436 A 23 GLU HGy A 24 ASN H 1.0 . 4.15 473 437 A 18 ARG H A 17 ILE HB 1.0 . 4.59 474 438 A 24 ASN H A 24 ASN HBy 1.0 . 4.01 475 439 A 18 ARG H A 19 VAL HGx% 1.0 . 4.02 476 440 A 40 LEU H A 39 LEU HBx 1.0 . 4.39 477 441 A 39 LEU H A 39 LEU HG 1.0 . 3.95 478 442 A 74 HIS H A 74 HIS HBy 1.0 . 3.74 479 443 A 74 HIS H A 74 HIS HBx 1.0 . 3.87 480 444 A 77 ASP H A 76 PRO HBx 1.0 . 4.23 481 444 A 76 PRO HBy A 77 ASP H 1.0 . 4.23 482 445 A 37 THR HB A 75 ALA H 1.0 . 4.32 483 446 A 70 GLU HA A 71 GLY H 1.0 . 3.36 484 447 A 65 GLY H A 64 ARG HGx 1.0 . 4.34 485 447 A 65 GLY H A 64 ARG HGy 1.0 . 4.34 486 448 A 76 PRO HGx A 77 ASP H 1.0 . 4.25 487 449 A 57 ASN H A 56 ARG HDx 1.0 . 4.83 488 449 A 56 ARG HDy A 57 ASN H 1.0 . 4.83 489 450 A 65 GLY H A 64 ARG HDy 1.0 . 5.33 490 451 A 38 VAL H A 38 VAL HB 1.0 . 3.77 491 452 A 80 TRP HBx A 80 TRP H 1.0 . 4.16 492 453 A 37 THR HG2% A 75 ALA H 1.0 . 3.50 493 454 A 38 VAL H A 38 VAL HGx% 1.0 . 4.53 494 455 A 38 VAL H A 72 ILE HG2% 1.0 . 3.56 495 456 A 75 ALA HB% A 75 ALA H 1.0 . 2.94 496 457 A 47 PHE H A 46 GLN HBx 1.0 . 4.38 497 458 A 66 VAL H A 55 TYR HA 1.0 . 4.82 498 459 A 61 GLN H A 62 CYS HA 1.0 . 5.34 499 460 A 47 PHE H A 47 PHE HBx 1.0 . 3.90 500 461 A 66 VAL H A 66 VAL HB 1.0 . 3.43 501 462 A 47 PHE H A 43 VAL HGx% 1.0 . 4.33 502 463 A 67 ARG HA A 68 LEU H 1.0 . 3.53 503 464 A 68 LEU H A 68 LEU HBy 1.0 . 4.04 504 465 A 61 GLN H A 61 GLN HBx 1.0 . 4.17 505 465 A 61 GLN H A 61 GLN HBy 1.0 . 4.17 506 466 A 61 GLN H A 58 PRO HA 1.0 . 5.03 507 467 A 14 SER H A 14 SER HBx 1.0 . 3.37 508 467 A 14 SER H A 14 SER HBy 1.0 . 3.37 509 468 A 4 SER H A 3 GLY HAx 1.0 . 3.48 510 468 A 3 GLY HAy A 4 SER H 1.0 . 3.48 511 469 A 28 ILE HG2% A 29 GLU H 1.0 . 4.13 512 470 A 72 ILE H A 72 ILE HG1x 1.0 . 4.00 513 471 A 72 ILE H A 72 ILE HD1% 1.0 . 4.05 514 472 A 50 ALA H A 50 ALA HB% 1.0 . 3.09 515 473 A 78 ALA HB% A 78 ALA H 1.0 . 2.83 516 474 A 16 TYR HBy A 16 TYR H 1.0 . 4.06 517 475 A 25 ASP H A 25 ASP HBx 1.0 . 3.81 518 476 A 25 ASP H A 25 ASP HBy 1.0 . 3.81 519 477 A 21 GLU HBx A 22 ASP H 1.0 . 4.70 520 478 A 59 VAL H A 59 VAL HGx% 1.0 . 3.30 521 479 A 22 ASP H A 22 ASP HBx 1.0 . 3.50 522 479 A 22 ASP HBy A 22 ASP H 1.0 . 3.50 523 480 A 79 GLY H A 76 PRO HBx 1.0 . 4.25 524 480 A 76 PRO HBy A 79 GLY H 1.0 . 4.25 525 481 A 59 VAL H A 59 VAL HGy% 1.0 . 3.30 526 482 A 21 GLU HBy A 22 ASP H 1.0 . 4.29 527 483 A 75 ALA HB% A 79 GLY H 1.0 . 4.03 528 484 A 32 SER H A 32 SER HBy 1.0 . 4.07 529 485 A 37 THR HG2% A 37 THR H 1.0 . 3.54 530 486 A 87 VAL H A 86 VAL HGx% 1.0 . 3.10 531 487 A 87 VAL H A 86 VAL HGy% 1.0 . 3.94 532 488 A 84 VAL H A 83 LEU HBx 1.0 . 4.25 533 489 A 78 ALA HB% A 79 GLY H 1.0 . 3.48 534 490 A 84 VAL H A 83 LEU HG 1.0 . 3.85 535 491 A 84 VAL H A 84 VAL HB 1.0 . 3.44 536 492 A 87 VAL H A 87 VAL HGx% 1.0 . 2.84 537 493 A 88 ASN H A 88 ASN HBy 1.0 . 4.11 538 494 A 35 ASP H A 34 ASP HBx 1.0 . 4.65 539 494 A 34 ASP HBy A 35 ASP H 1.0 . 4.65 540 495 A 42 THR H A 39 LEU HBx 1.0 . 4.31 541 496 A 42 THR H A 39 LEU HBy 1.0 . 4.31 542 497 A 50 ALA HB% A 52 GLY H 1.0 . 4.39 543 498 A 45 ALA H A 45 ALA HB% 1.0 . 2.93 544 499 A 43 VAL H A 43 VAL HGy% 1.0 . 2.95 545 500 A 47 PHE HD% A 43 VAL HGx% 1.0 . 3.13 546 501 A 80 TRP HD1 A 32 SER HBy 1.0 . 4.50 547 502 A 45 ALA H A 44 THR HG2% 1.0 . 4.64 548 503 A 47 PHE HD% A 28 ILE HG2% 1.0 . 4.25 549 504 A 80 TRP HD1 A 17 ILE HG1y 1.0 . 4.87 550 505 A 47 PHE HD% A 30 ILE HD1% 1.0 . 4.24 551 506 A 85 TYR HD% A 87 VAL HGx% 1.0 . 3.68 552 507 A 80 TRP HE3 A 17 ILE HB 1.0 . 4.45 553 508 A 75 ALA HB% A 80 TRP HE3 1.0 . 3.98 554 509 A 17 ILE HD1% A 80 TRP HE3 1.0 . 3.87 555 510 A 17 ILE HG1y A 80 TRP HE3 1.0 . 4.30 556 511 A 54 ARG HBx A 54 ARG HE 1.0 . 4.42 557 512 A 83 LEU HG A 83 LEU H 1.0 . 3.99 558 513 A 83 LEU H A 83 LEU HDx% 1.0 . 4.76 559 514 A 46 GLN H A 46 GLN HBx 1.0 . 3.38 560 515 A 46 GLN H A 30 ILE HG2% 1.0 . 4.10 561 516 A 46 GLN H A 45 ALA HB% 1.0 . 3.60 562 517 A 55 TYR HE% A 64 ARG HDx 1.0 . 4.38 563 518 A 80 TRP HH2 A 73 LEU HDx% 1.0 . 4.66 564 519 A 80 TRP HH2 A 73 LEU HDy% 1.0 . 4.66 565 520 A 54 ARG HA A 55 TYR HA 1.0 . 4.63 566 521 A 19 VAL HA A 18 ARG HA 1.0 . 4.37 567 522 A 19 VAL HA A 27 PRO HA 1.0 . 4.10 568 523 A 19 VAL HA A 19 VAL HGy% 1.0 . 3.28 569 524 A 19 VAL HA A 19 VAL HGx% 1.0 . 3.14 570 525 A 53 LEU HA A 53 LEU HDx% 1.0 . 4.35 571 526 A 53 LEU HA A 87 VAL HGx% 1.0 . 4.83 572 527 A 68 LEU HA A 68 LEU HG 1.0 . 3.78 573 528 A 73 LEU HA A 73 LEU HDy% 1.0 . 4.51 574 529 A 16 TYR HA A 17 ILE HG2% 1.0 . 4.23 575 530 A 47 PHE HA A 48 PRO HGx 1.0 . 4.21 576 531 A 25 ASP HA A 26 GLU HBx 1.0 . 4.75 577 531 A 26 GLU HBy A 25 ASP HA 1.0 . 4.75 578 532 A 47 PHE HA A 48 PRO HGy 1.0 . 5.21 579 533 A 29 GLU HA A 30 ILE HG1y 1.0 . 4.27 580 534 A 37 THR HA A 75 ALA HA 1.0 . 5.22 581 535 A 83 LEU HBx A 57 ASN HA 1.0 . 4.43 582 536 A 83 LEU HG A 55 TYR HA 1.0 . 4.63 583 537 A 88 ASN HA A 87 VAL HB 1.0 . 4.99 584 538 A 72 ILE HG2% A 37 THR HA 1.0 . 4.23 585 539 A 30 ILE HA A 30 ILE HG2% 1.0 . 3.04 586 540 A 86 VAL HA A 86 VAL HGy% 1.0 . 3.37 587 541 A 57 ASN HA A 58 PRO HBy 1.0 . 5.08 588 542 A 54 ARG HBy A 55 TYR HA 1.0 . 5.35 589 543 A 37 THR HG2% A 37 THR HA 1.0 . 3.01 590 544 A 86 VAL HA A 86 VAL HGx% 1.0 . 2.87 591 545 A 23 GLU HA A 24 ASN HA 1.0 . 4.81 592 546 A 21 GLU HBy A 22 ASP HA 1.0 . 4.82 593 547 A 73 LEU HA A 74 HIS HA 1.0 . 4.43 594 548 A 80 TRP HBx A 17 ILE HA 1.0 . 3.94 595 549 A 17 ILE HG2% A 17 ILE HA 1.0 . 3.30 596 550 A 17 ILE HD1% A 17 ILE HA 1.0 . 3.95 597 551 A 13 MET HA A 13 MET HGx 1.0 . 3.74 598 551 A 13 MET HA A 13 MET HGy 1.0 . 3.74 599 552 A 26 GLU HA A 26 GLU HGx 1.0 . 4.25 600 552 A 26 GLU HGy A 26 GLU HA 1.0 . 4.25 601 553 A 19 VAL HGx% A 17 ILE HA 1.0 . 4.55 602 554 A 61 GLN HA A 62 CYS HA 1.0 . 5.43 603 555 A 20 THR HB A 26 GLU HA 1.0 . 4.72 604 556 A 80 TRP HA A 75 ALA HA 1.0 . 4.73 605 557 A 72 ILE HG1y A 39 LEU HA 1.0 . 4.54 606 558 A 39 LEU HA A 39 LEU HG 1.0 . 4.18 607 559 A 39 LEU HA A 72 ILE HG1x 1.0 . 4.38 608 560 A 28 ILE HG2% A 28 ILE HA 1.0 . 3.22 609 561 A 48 PRO HA A 43 VAL HGx% 1.0 . 5.04 610 562 A 44 THR H A 41 SER HA 1.0 . 4.58 611 563 A 40 LEU HBy A 41 SER HA 1.0 . 4.14 612 564 A 38 VAL HA A 38 VAL HGy% 1.0 . 3.07 613 565 A 49 GLY H A 44 THR HB 1.0 . 4.01 614 566 A 38 VAL HA A 38 VAL HGx% 1.0 . 3.07 615 567 A 58 PRO HA A 60 SER H 1.0 . 4.40 616 568 A 73 LEU H A 38 VAL HA 1.0 . 5.19 617 569 A 30 ILE H A 31 PRO HA 1.0 . 5.50 618 570 A 44 THR H A 44 THR HB 1.0 . 4.18 619 571 A 72 ILE H A 69 VAL HA 1.0 . 5.14 620 572 A 67 ARG HE A 69 VAL HA 1.0 . 3.78 621 573 A 80 TRP HZ2 A 38 VAL HA 1.0 . 4.19 622 574 A 43 VAL HA A 42 THR HB 1.0 . 4.56 623 575 A 69 VAL HA A 69 VAL HGx% 1.0 . 3.33 624 576 A 68 LEU HA A 69 VAL HA 1.0 . 4.53 625 577 A 56 ARG HA A 56 ARG HE 1.0 . 4.64 626 578 A 55 TYR HE% A 76 PRO HA 1.0 . 4.65 627 579 A 55 TYR H A 56 ARG HA 1.0 . 5.10 628 580 A 69 VAL HA A 69 VAL HGy% 1.0 . 3.33 629 581 A 84 VAL H A 56 ARG HA 1.0 . 5.45 630 582 A 34 ASP HA A 14 SER HBx 1.0 . 3.64 631 582 A 14 SER HBy A 34 ASP HA 1.0 . 3.64 632 583 A 58 PRO HA A 56 ARG HE 1.0 . 5.46 633 584 A 16 TYR HD% A 15 GLU HA 1.0 . 4.38 634 585 A 69 VAL H A 72 ILE HA 1.0 . 4.92 635 586 A 72 ILE HA A 38 VAL H 1.0 . 4.10 636 587 A 72 ILE HA A 72 ILE HG1y 1.0 . 3.58 637 588 A 44 THR HA A 43 VAL HGx% 1.0 . 3.66 638 589 A 66 VAL HA A 65 GLY HAx 1.0 . 4.26 639 589 A 66 VAL HA A 65 GLY HAy 1.0 . 4.26 640 590 A 43 VAL HA A 44 THR HA 1.0 . 4.78 641 591 A 66 VAL HA A 76 PRO HDy 1.0 . 4.15 642 592 A 66 VAL HA A 66 VAL HGx% 1.0 . 3.43 643 593 A 66 VAL HA A 66 VAL HGy% 1.0 . 3.43 644 594 A 49 GLY H A 44 THR HA 1.0 . 4.37 645 595 A 85 TYR H A 21 GLU HA 1.0 . 4.93 646 596 A 59 VAL H A 58 PRO HDx 1.0 . 4.91 647 597 A 57 ASN H A 58 PRO HDx 1.0 . 4.76 648 598 A 87 VAL H A 21 GLU HA 1.0 . 5.14 649 599 A 85 TYR HD% A 21 GLU HA 1.0 . 3.98 650 600 A 57 ASN HA A 58 PRO HDx 1.0 . 2.98 651 601 A 63 MET HA A 63 MET HGx 1.0 . 3.92 652 601 A 63 MET HGy A 63 MET HA 1.0 . 3.92 653 602 A 46 GLN HGy A 46 GLN HA 1.0 . 3.91 654 603 A 84 VAL HA A 84 VAL HGx% 1.0 . 3.28 655 604 A 84 VAL HA A 84 VAL HGy% 1.0 . 3.28 656 605 A 26 GLU HGy A 27 PRO HDx 1.0 . 4.27 657 605 A 26 GLU HGx A 27 PRO HDx 1.0 . 4.27 658 606 A 43 VAL HGy% A 40 LEU HA 1.0 . 3.36 659 607 A 45 ALA H A 42 THR HA 1.0 . 4.37 660 608 A 56 ARG HE A 58 PRO HDy 1.0 . 4.07 661 609 A 37 THR HB A 80 TRP HZ2 1.0 . 4.04 662 610 A 23 GLU HA A 22 ASP HBx 1.0 . 4.58 663 610 A 23 GLU HA A 22 ASP HBy 1.0 . 4.58 664 611 A 26 GLU HBx A 27 PRO HDx 1.0 . 3.82 665 611 A 26 GLU HBy A 27 PRO HDx 1.0 . 3.82 666 612 A 23 GLU HA A 84 VAL HB 1.0 . 4.31 667 613 A 58 PRO HDy A 56 ARG HDx 1.0 . 4.56 668 613 A 56 ARG HDy A 58 PRO HDy 1.0 . 4.56 669 614 A 59 VAL HA A 59 VAL HGy% 1.0 . 3.32 670 615 A 32 SER HBx A 38 VAL HGy% 1.0 . 4.14 671 616 A 59 VAL HA A 60 SER HA 1.0 . 5.32 672 617 A 59 VAL HA A 58 PRO HBx 1.0 . 4.74 673 618 A 17 ILE HG2% A 32 SER HBx 1.0 . 4.28 674 619 A 47 PHE HBx A 50 ALA HA 1.0 . 4.31 675 620 A 47 PHE HBy A 50 ALA HA 1.0 . 4.66 676 621 A 87 VAL HA A 87 VAL HGx% 1.0 . 2.82 677 622 A 50 ALA HA A 51 CYS HBx 1.0 . 4.43 678 623 A 14 SER HBy A 34 ASP HBx 1.0 . 4.57 679 623 A 14 SER HBx A 34 ASP HBx 1.0 . 4.57 680 623 A 34 ASP HBy A 14 SER HBx 1.0 . 4.57 681 623 A 34 ASP HBy A 14 SER HBy 1.0 . 4.57 682 624 A 87 VAL HA A 21 GLU HGx 1.0 . 4.86 683 625 A 13 MET HGy A 14 SER HBx 1.0 . 5.50 684 625 A 13 MET HGx A 14 SER HBx 1.0 . 5.50 685 625 A 14 SER HBy A 13 MET HGx 1.0 . 5.50 686 625 A 14 SER HBy A 13 MET HGy 1.0 . 5.50 687 626 A 87 VAL HA A 21 GLU HGy 1.0 . 5.50 688 627 A 27 PRO HDy A 26 GLU HBx 1.0 . 3.82 689 627 A 26 GLU HBy A 27 PRO HDy 1.0 . 3.82 690 628 A 54 ARG HA A 65 GLY HAx 1.0 . 4.34 691 628 A 54 ARG HA A 65 GLY HAy 1.0 . 4.34 692 629 A 26 GLU HGy A 27 PRO HDy 1.0 . 4.27 693 629 A 27 PRO HDy A 26 GLU HGx 1.0 . 4.27 694 630 A 54 ARG HBy A 65 GLY HAx 1.0 . 4.47 695 630 A 54 ARG HBy A 65 GLY HAy 1.0 . 4.47 696 631 A 54 ARG HBx A 65 GLY HAx 1.0 . 4.96 697 631 A 54 ARG HBx A 65 GLY HAy 1.0 . 4.96 698 632 A 65 GLY HAy A 54 ARG HGy 1.0 . 4.06 699 632 A 54 ARG HGy A 65 GLY HAx 1.0 . 4.06 700 633 A 42 THR HG2% A 31 PRO HDx 1.0 . 3.20 701 633 A 42 THR HG2% A 31 PRO HDy 1.0 . 3.20 702 634 A 65 GLY HAy A 54 ARG HGx 1.0 . 4.06 703 634 A 54 ARG HGx A 65 GLY HAx 1.0 . 4.06 704 635 A 47 PHE HBx A 48 PRO HDx 1.0 . 4.88 705 636 A 47 PHE HBy A 48 PRO HDx 1.0 . 4.19 706 637 A 43 VAL HA A 30 ILE HD1% 1.0 . 3.05 707 638 A 43 VAL HA A 43 VAL HGx% 1.0 . 3.11 708 639 A 43 VAL HA A 47 PHE HBx 1.0 . 5.06 709 640 A 43 VAL HA A 43 VAL HGy% 1.0 . 3.26 710 641 A 43 VAL HA A 45 ALA HB% 1.0 . 4.66 711 642 A 17 ILE HG2% A 32 SER HBy 1.0 . 3.21 712 643 A 31 PRO HA A 32 SER HBy 1.0 . 4.57 713 644 A 38 VAL HA A 32 SER HBy 1.0 . 4.17 714 645 A 17 ILE HB A 32 SER HBy 1.0 . 4.32 715 646 A 27 PRO HBx A 18 ARG HDx 1.0 . 4.50 716 646 A 27 PRO HBx A 18 ARG HDy 1.0 . 4.50 717 647 A 17 ILE HG1x A 80 TRP HBy 1.0 . 3.75 718 648 A 54 ARG HBy A 54 ARG HDx 1.0 . 4.16 719 649 A 47 PHE HBy A 21 GLU HGy 1.0 . 4.58 720 650 A 17 ILE HG1y A 80 TRP HBy 1.0 . 3.42 721 651 A 17 ILE HD1% A 80 TRP HBy 1.0 . 4.14 722 652 A 21 GLU HBx A 47 PHE HBy 1.0 . 4.51 723 653 A 53 LEU HBy A 85 TYR HBx 1.0 . 3.80 724 654 A 50 ALA HB% A 47 PHE HBy 1.0 . 3.54 725 655 A 54 ARG HBy A 85 TYR HBx 1.0 . 5.43 726 656 A 19 VAL HGx% A 85 TYR HBx 1.0 . 4.24 727 657 A 54 ARG HBy A 54 ARG HDy 1.0 . 4.16 728 658 A 75 ALA HB% A 76 PRO HDx 1.0 . 3.31 729 659 A 50 ALA HB% A 47 PHE HBx 1.0 . 3.37 730 660 A 87 VAL HGx% A 21 GLU HGx 1.0 . 3.20 731 661 A 46 GLN HGx A 45 ALA HB% 1.0 . 4.40 732 662 A 46 GLN HGx A 30 ILE HG2% 1.0 . 4.36 733 663 A 25 ASP HA A 26 GLU HGx 1.0 . 5.50 734 663 A 26 GLU HGy A 25 ASP HA 1.0 . 5.50 735 664 A 47 PHE HA A 21 GLU HGy 1.0 . 5.50 736 665 A 44 THR HG2% A 43 VAL HB 1.0 . 3.60 737 666 A 75 ALA HB% A 76 PRO HDy 1.0 . 3.29 738 667 A 76 PRO HDy A 80 TRP HA 1.0 . 4.45 739 668 A 43 VAL HB A 40 LEU HBx 1.0 . 4.89 740 669 A 69 VAL HA A 70 GLU HGx 1.0 . 4.20 741 669 A 70 GLU HGy A 69 VAL HA 1.0 . 4.20 742 670 A 70 GLU HGy A 69 VAL HGy% 1.0 . 3.67 743 670 A 69 VAL HGy% A 70 GLU HGx 1.0 . 3.67 744 671 A 62 CYS HA A 61 GLN HBx 1.0 . 4.47 745 671 A 62 CYS HA A 61 GLN HBy 1.0 . 4.47 746 672 A 70 GLU HA A 70 GLU HGx 1.0 . 3.33 747 672 A 70 GLU HGy A 70 GLU HA 1.0 . 3.33 748 673 A 73 LEU HBx A 73 LEU HDy% 1.0 . 3.62 749 674 A 73 LEU HBx A 38 VAL HGx% 1.0 . 4.15 750 675 A 73 LEU HBx A 38 VAL HGy% 1.0 . 4.15 751 676 A 72 ILE HB A 72 ILE HD1% 1.0 . 2.89 752 677 A 73 LEU HBx A 73 LEU HDx% 1.0 . 3.62 753 678 A 59 VAL HA A 61 GLN HGx 1.0 . 3.93 754 678 A 61 GLN HGy A 59 VAL HA 1.0 . 3.93 755 679 A 72 ILE HB A 39 LEU HA 1.0 . 5.08 756 680 A 60 SER HA A 61 GLN HGx 1.0 . 5.23 757 680 A 61 GLN HGy A 60 SER HA 1.0 . 5.23 758 681 A 53 LEU HBy A 66 VAL HB 1.0 . 3.79 759 682 A 67 ARG HA A 68 LEU HBx 1.0 . 4.63 760 683 A 20 THR HB A 27 PRO HBy 1.0 . 4.09 761 684 A 43 VAL HGy% A 40 LEU HBx 1.0 . 4.85 762 685 A 42 THR HB A 30 ILE HB 1.0 . 4.31 763 686 A 40 LEU HBx A 40 LEU HG 1.0 . 2.54 764 687 A 30 ILE HD1% A 30 ILE HB 1.0 . 3.26 765 688 A 46 GLN HGx A 30 ILE HB 1.0 . 5.03 766 689 A 28 ILE HG2% A 46 GLN HBx 1.0 . 5.04 767 690 A 64 ARG HDx A 64 ARG HBx 1.0 . 3.94 768 690 A 64 ARG HBy A 64 ARG HDx 1.0 . 3.94 769 691 A 64 ARG HBx A 64 ARG HDy 1.0 . 3.94 770 691 A 64 ARG HBy A 64 ARG HDy 1.0 . 3.94 771 692 A 64 ARG HBx A 64 ARG HGx 1.0 . 2.61 772 692 A 64 ARG HBy A 64 ARG HGx 1.0 . 2.61 773 692 A 64 ARG HGy A 64 ARG HBx 1.0 . 2.61 774 692 A 64 ARG HGy A 64 ARG HBy 1.0 . 2.61 775 693 A 45 ALA HB% A 31 PRO HDx 1.0 . 4.67 776 693 A 31 PRO HDy A 45 ALA HB% 1.0 . 4.67 777 694 A 64 ARG HBx A 65 GLY HAx 1.0 . 4.35 778 694 A 64 ARG HBy A 65 GLY HAx 1.0 . 4.35 779 694 A 65 GLY HAy A 64 ARG HBx 1.0 . 4.35 780 694 A 64 ARG HBy A 65 GLY HAy 1.0 . 4.35 781 695 A 30 ILE HG1x A 46 GLN HGx 1.0 . 4.21 782 696 A 55 TYR HBy A 83 LEU HG 1.0 . 5.50 783 697 A 53 LEU HG A 85 TYR HBx 1.0 . 5.50 784 698 A 17 ILE HG1y A 17 ILE HB 1.0 . 2.93 785 699 A 42 THR HG2% A 30 ILE HA 1.0 . 5.28 786 700 A 74 HIS HA A 67 ARG HGx 1.0 . 5.19 787 700 A 67 ARG HGy A 74 HIS HA 1.0 . 5.19 788 701 A 74 HIS HBy A 67 ARG HGx 1.0 . 4.38 789 701 A 67 ARG HGy A 74 HIS HBy 1.0 . 4.38 790 702 A 17 ILE HD1% A 17 ILE HB 1.0 . 3.17 791 703 A 44 THR HG2% A 43 VAL HGx% 1.0 . 2.69 792 704 A 42 THR HG2% A 30 ILE HG2% 1.0 . 3.22 793 705 A 69 VAL HB A 67 ARG HGx 1.0 . 3.99 794 705 A 67 ARG HGy A 69 VAL HB 1.0 . 3.99 795 706 A 50 ALA HB% A 43 VAL HGx% 1.0 . 2.55 796 707 A 73 LEU HG A 68 LEU HG 1.0 . 5.18 797 708 A 64 ARG HGy A 76 PRO HBx 1.0 . 5.37 798 708 A 64 ARG HGx A 76 PRO HBx 1.0 . 5.37 799 708 A 76 PRO HBy A 64 ARG HGx 1.0 . 5.37 800 708 A 64 ARG HGy A 76 PRO HBy 1.0 . 5.37 801 709 A 68 LEU HG A 68 LEU HBx 1.0 . 2.91 802 710 A 17 ILE HG1y A 17 ILE HA 1.0 . 4.17 803 711 A 54 ARG HBx A 86 VAL HGx% 1.0 . 3.16 804 712 A 84 VAL HA A 19 VAL HGx% 1.0 . 4.69 805 713 A 85 TYR HA A 19 VAL HGx% 1.0 . 4.52 806 714 A 19 VAL HGx% A 82 ASN HA 1.0 . 4.52 807 715 A 47 PHE HA A 43 VAL HGx% 1.0 . 5.29 808 716 A 18 ARG HA A 19 VAL HGx% 1.0 . 4.24 809 717 A 73 LEU HBx A 43 VAL HGy% 1.0 . 3.81 810 718 A 75 ALA HB% A 37 THR HG2% 1.0 . 4.00 811 719 A 47 PHE HBx A 43 VAL HGx% 1.0 . 3.96 812 720 A 43 VAL HGy% A 42 THR HB 1.0 . 4.67 813 721 A 69 VAL HA A 68 LEU HDy% 1.0 . 5.02 814 722 A 37 THR HG2% A 74 HIS HBx 1.0 . 3.38 815 723 A 19 VAL HGx% A 85 TYR HBy 1.0 . 3.36 816 724 A 17 ILE HD1% A 30 ILE HD1% 1.0 . 3.24 817 725 A 42 THR HG2% A 30 ILE HD1% 1.0 . 3.91 818 726 A 54 ARG HBy A 86 VAL HGy% 1.0 . 3.69 819 727 A 30 ILE HD1% A 45 ALA HB% 1.0 . 4.83 820 728 A 86 VAL HGx% A 87 VAL HGy% 1.0 . 3.07 821 729 A 87 VAL HGx% A 47 PHE HBy 1.0 . 3.79 822 730 A 87 VAL HGx% A 21 GLU HBx 1.0 . 4.28 823 731 A 17 ILE HG1x A 19 VAL HGx% 1.0 . 3.43 824 732 A 17 ILE HG2% A 80 TRP HBy 1.0 . 4.53 825 733 A 17 ILE HD1% A 19 VAL HGx% 1.0 . 3.07 826 734 A 75 ALA H A 74 HIS HE1 1.0 . 4.14 827 735 A 19 VAL HA A 20 THR HA 1.0 . 4.47 828 736 A 16 TYR HA A 32 SER HA 1.0 . 5.36 829 737 A 62 CYS HA A 63 MET HA 1.0 . 4.61 830 738 A 43 VAL HA A 40 LEU HA 1.0 . 5.50 831 739 A 43 VAL HA A 42 THR HA 1.0 . 5.50 832 740 A 4 SER HA A 3 GLY HAx 1.0 . 4.34 833 740 A 3 GLY HAy A 4 SER HA 1.0 . 4.34 834 741 A 22 ASP HBy A 23 GLU HGx 1.0 . 3.92 835 741 A 22 ASP HBx A 23 GLU HGx 1.0 . 3.92 836 741 A 23 GLU HGy A 22 ASP HBx 1.0 . 3.92 837 741 A 23 GLU HGy A 22 ASP HBy 1.0 . 3.92 838 742 A 73 LEU HG A 68 LEU HBx 1.0 . 4.75 839 743 A 45 ALA HB% A 30 ILE HB 1.0 . 5.09 840 744 A 83 LEU HBx A 84 VAL HB 1.0 . 5.47 841 745 A 42 THR HG2% A 30 ILE HB 1.0 . 2.95 842 746 A 86 VAL HGy% A 87 VAL HGy% 1.0 . 4.50 843 747 A 19 VAL HGy% A 17 ILE HG1y 1.0 . 4.29 844 748 A 19 VAL HGy% A 28 ILE HG2% 1.0 . 4.82 845 749 A 17 ILE HG1x A 19 VAL HGy% 1.0 . 2.86 846 750 A 51 CYS H A 52 GLY H 1.0 . 4.09 847 751 A 87 VAL H A 85 TYR HE% 1.0 . 3.98 848 752 A 39 LEU H A 32 SER HBx 1.0 . 5.07 849 753 A 24 ASN H A 23 GLU HBx 1.0 . 3.92 850 753 A 23 GLU HBy A 24 ASN H 1.0 . 3.92 851 754 A 21 GLU H A 28 ILE HG2% 1.0 . 4.61 852 755 A 59 VAL H A 60 SER H 1.0 . 4.37 853 756 A 89 TYR H A 89 TYR HE% 1.0 . 5.02 854 757 A 61 GLN H A 60 SER H 1.0 . 4.51 855 758 A 61 GLN H A 62 CYS H 1.0 . 5.19 856 759 A 55 TYR HD% A 83 LEU H 1.0 . 5.50 857 760 A 78 ALA H A 79 GLY H 1.0 . 4.33 858 761 A 37 THR H A 36 GLY H 1.0 . 4.34 859 762 A 17 ILE HG1x A 30 ILE HG1y 1.0 . 4.24 860 763 A 72 ILE HG1y A 40 LEU HBx 1.0 . 4.09 861 764 A 83 LEU HG A 55 TYR HE% 1.0 . 5.06 862 765 A 72 ILE H A 70 GLU H 1.0 . 4.67 863 766 A 80 TRP HD1 A 80 TRP H 1.0 . 4.00 864 767 A 80 TRP HD1 A 80 TRP HA 1.0 . 4.56 865 768 A 38 VAL H A 80 TRP HZ2 1.0 . 3.97 866 769 A 80 TRP HZ2 A 17 ILE HB 1.0 . 4.77 867 770 A 80 TRP HZ2 A 73 LEU HBy 1.0 . 5.09 868 771 A 55 TYR HE% A 76 PRO HDy 1.0 . 3.87 869 772 A 55 TYR HE% A 64 ARG HDy 1.0 . 4.38 870 773 A 85 TYR HE% A 21 GLU HGy 1.0 . 4.24 871 774 A 80 TRP HD1 A 75 ALA HB% 1.0 . 4.06 872 775 A 80 TRP HD1 A 80 TRP HBy 1.0 . 3.70 873 776 A 37 THR HG2% A 74 HIS HE1 1.0 . 4.10 874 777 A 5 HIS H A 5 HIS HBx 1.0 . 3.62 875 777 A 5 HIS H A 5 HIS HBy 1.0 . 3.62 876 778 A 5 HIS HA A 5 HIS HBx 1.0 . 2.63 877 778 A 5 HIS HBy A 5 HIS HA 1.0 . 2.63 878 779 A 12 SER HA A 11 GLY HAx 1.0 . 4.79 879 779 A 11 GLY HAy A 12 SER HA 1.0 . 4.79 880 780 A 12 SER HA A 12 SER HBx 1.0 . 2.58 881 780 A 12 SER HA A 12 SER HBy 1.0 . 2.58 882 781 A 15 GLU H A 15 GLU HBx 1.0 . 3.57 883 781 A 15 GLU H A 15 GLU HBy 1.0 . 3.57 884 782 A 16 TYR H A 15 GLU HBx 1.0 . 4.23 885 782 A 16 TYR H A 15 GLU HBy 1.0 . 4.23 886 783 A 16 TYR HBx A 18 ARG HGx 1.0 . 4.58 887 783 A 16 TYR HBx A 18 ARG HGy 1.0 . 4.58 888 784 A 16 TYR HD% A 18 ARG HBx 1.0 . 3.83 889 784 A 16 TYR HD% A 18 ARG HBy 1.0 . 3.83 890 785 A 16 TYR HD% A 29 GLU HBx 1.0 . 4.31 891 785 A 16 TYR HD% A 29 GLU HBy 1.0 . 4.31 892 786 A 16 TYR HE% A 18 ARG HGx 1.0 . 4.23 893 786 A 18 ARG HGy A 16 TYR HE% 1.0 . 4.23 894 787 A 16 TYR HE% A 82 ASN HD2x 1.0 . 4.11 895 787 A 16 TYR HE% A 82 ASN HD2y 1.0 . 4.11 896 788 A 17 ILE HB A 38 VAL HGy% 1.0 . 3.64 897 788 A 17 ILE HB A 38 VAL HGx% 1.0 . 3.64 898 789 A 17 ILE HG2% A 38 VAL HGy% 1.0 . 4.16 899 789 A 17 ILE HG2% A 38 VAL HGx% 1.0 . 4.16 900 790 A 17 ILE HG1y A 38 VAL HGy% 1.0 . 4.01 901 790 A 17 ILE HG1y A 38 VAL HGx% 1.0 . 4.01 902 791 A 17 ILE HD1% A 38 VAL HGy% 1.0 . 3.44 903 791 A 17 ILE HD1% A 38 VAL HGx% 1.0 . 3.44 904 792 A 18 ARG H A 18 ARG HGx 1.0 . 3.97 905 792 A 18 ARG H A 18 ARG HGy 1.0 . 3.97 906 793 A 18 ARG HA A 18 ARG HGx 1.0 . 3.70 907 793 A 18 ARG HA A 18 ARG HGy 1.0 . 3.70 908 794 A 18 ARG HBx A 18 ARG HDx 1.0 . 3.47 909 794 A 18 ARG HBy A 18 ARG HDx 1.0 . 3.47 910 794 A 18 ARG HDy A 18 ARG HBx 1.0 . 3.47 911 794 A 18 ARG HDy A 18 ARG HBy 1.0 . 3.47 912 795 A 18 ARG HE A 18 ARG HBx 1.0 . 4.25 913 795 A 18 ARG HBy A 18 ARG HE 1.0 . 4.25 914 796 A 19 VAL HGx% A 18 ARG HBx 1.0 . 5.28 915 796 A 19 VAL HGx% A 18 ARG HBy 1.0 . 5.28 916 797 A 80 TRP HBy A 18 ARG HBx 1.0 . 4.68 917 797 A 80 TRP HBy A 18 ARG HBy 1.0 . 4.68 918 798 A 82 ASN HA A 18 ARG HBx 1.0 . 4.63 919 798 A 82 ASN HA A 18 ARG HBy 1.0 . 4.63 920 799 A 18 ARG HBx A 82 ASN HBx 1.0 . 3.53 921 799 A 18 ARG HBy A 82 ASN HBx 1.0 . 3.53 922 799 A 82 ASN HBy A 18 ARG HBx 1.0 . 3.53 923 799 A 18 ARG HBy A 82 ASN HBy 1.0 . 3.53 924 800 A 18 ARG HE A 18 ARG HGx 1.0 . 3.60 925 800 A 18 ARG HGy A 18 ARG HE 1.0 . 3.60 926 801 A 19 VAL H A 18 ARG HGx 1.0 . 4.80 927 801 A 19 VAL H A 18 ARG HGy 1.0 . 4.80 928 802 A 18 ARG HDy A 27 PRO HGx 1.0 . 5.07 929 802 A 18 ARG HDx A 27 PRO HGx 1.0 . 5.07 930 802 A 27 PRO HGy A 18 ARG HDx 1.0 . 5.07 931 802 A 18 ARG HDy A 27 PRO HGy 1.0 . 5.07 932 803 A 19 VAL HA A 84 VAL HGy% 1.0 . 5.44 933 803 A 19 VAL HA A 84 VAL HGx% 1.0 . 5.44 934 804 A 20 THR H A 84 VAL HGy% 1.0 . 3.52 935 804 A 20 THR H A 84 VAL HGx% 1.0 . 3.52 936 805 A 20 THR HB A 27 PRO HDx 1.0 . 5.35 937 805 A 20 THR HB A 27 PRO HDy 1.0 . 5.35 938 806 A 21 GLU HA A 84 VAL HGy% 1.0 . 4.32 939 806 A 21 GLU HA A 84 VAL HGx% 1.0 . 4.32 940 807 A 21 GLU HGx A 84 VAL HGy% 1.0 . 5.24 941 807 A 21 GLU HGx A 84 VAL HGx% 1.0 . 5.24 942 808 A 22 ASP HA A 84 VAL HGy% 1.0 . 4.58 943 808 A 22 ASP HA A 84 VAL HGx% 1.0 . 4.58 944 809 A 23 GLU HA A 84 VAL HGy% 1.0 . 3.39 945 809 A 23 GLU HA A 84 VAL HGx% 1.0 . 3.39 946 810 A 24 ASN H A 24 ASN HBy 1.0 . 3.38 947 810 A 24 ASN H A 24 ASN HBx 1.0 . 3.38 948 811 A 24 ASN HBy A 24 ASN HD2x 1.0 . 3.20 949 811 A 24 ASN HBx A 24 ASN HD2x 1.0 . 3.20 950 811 A 24 ASN HD2y A 24 ASN HBy 1.0 . 3.20 951 811 A 24 ASN HBx A 24 ASN HD2y 1.0 . 3.20 952 812 A 25 ASP H A 24 ASN HBy 1.0 . 4.16 953 812 A 25 ASP H A 24 ASN HBx 1.0 . 4.16 954 813 A 25 ASP H A 25 ASP HBy 1.0 . 3.33 955 813 A 25 ASP H A 25 ASP HBx 1.0 . 3.33 956 814 A 26 GLU H A 25 ASP HBy 1.0 . 3.77 957 814 A 26 GLU H A 25 ASP HBx 1.0 . 3.77 958 815 A 26 GLU HA A 27 PRO HDx 1.0 . 2.43 959 815 A 26 GLU HA A 27 PRO HDy 1.0 . 2.43 960 816 A 26 GLU HBx A 27 PRO HDx 1.0 . 3.24 961 816 A 26 GLU HBy A 27 PRO HDx 1.0 . 3.24 962 816 A 27 PRO HDy A 26 GLU HBx 1.0 . 3.24 963 816 A 26 GLU HBy A 27 PRO HDy 1.0 . 3.24 964 817 A 26 GLU HGy A 27 PRO HDx 1.0 . 3.70 965 817 A 26 GLU HGx A 27 PRO HDx 1.0 . 3.70 966 817 A 27 PRO HDy A 26 GLU HGx 1.0 . 3.70 967 817 A 26 GLU HGy A 27 PRO HDy 1.0 . 3.70 968 818 A 28 ILE H A 28 ILE HG1x 1.0 . 4.17 969 818 A 28 ILE H A 28 ILE HG1y 1.0 . 4.17 970 819 A 28 ILE HG2% A 28 ILE HG1x 1.0 . 2.81 971 819 A 28 ILE HG2% A 28 ILE HG1y 1.0 . 2.81 972 820 A 29 GLU H A 28 ILE HG1x 1.0 . 4.28 973 820 A 29 GLU H A 28 ILE HG1y 1.0 . 4.28 974 821 A 47 PHE HE% A 28 ILE HG1x 1.0 . 5.34 975 821 A 47 PHE HE% A 28 ILE HG1y 1.0 . 5.34 976 822 A 29 GLU H A 29 GLU HGx 1.0 . 3.67 977 822 A 29 GLU H A 29 GLU HGy 1.0 . 3.67 978 823 A 30 ILE HA A 29 GLU HBx 1.0 . 4.94 979 823 A 30 ILE HA A 29 GLU HBy 1.0 . 4.94 980 824 A 30 ILE HB A 38 VAL HGy% 1.0 . 4.38 981 824 A 30 ILE HB A 38 VAL HGx% 1.0 . 4.38 982 825 A 30 ILE HD1% A 38 VAL HGy% 1.0 . 2.84 983 825 A 30 ILE HD1% A 38 VAL HGx% 1.0 . 2.84 984 826 A 32 SER HA A 38 VAL HGy% 1.0 . 3.58 985 826 A 32 SER HA A 38 VAL HGx% 1.0 . 3.58 986 827 A 32 SER HBx A 38 VAL HGy% 1.0 . 3.54 987 827 A 32 SER HBx A 38 VAL HGx% 1.0 . 3.54 988 828 A 32 SER HBy A 38 VAL HGy% 1.0 . 4.27 989 828 A 32 SER HBy A 38 VAL HGx% 1.0 . 4.27 990 829 A 33 GLU H A 38 VAL HGy% 1.0 . 3.89 991 829 A 33 GLU H A 38 VAL HGx% 1.0 . 3.89 992 830 A 37 THR H A 33 GLU HBy 1.0 . 4.59 993 830 A 37 THR H A 33 GLU HBx 1.0 . 4.59 994 831 A 37 THR HG2% A 33 GLU HBy 1.0 . 4.29 995 831 A 37 THR HG2% A 33 GLU HBx 1.0 . 4.29 996 832 A 38 VAL HA A 33 GLU HBy 1.0 . 3.59 997 832 A 38 VAL HA A 33 GLU HBx 1.0 . 3.59 998 833 A 39 LEU H A 33 GLU HBy 1.0 . 4.37 999 833 A 39 LEU H A 33 GLU HBx 1.0 . 4.37 1000 834 A 37 THR HG2% A 35 ASP HBx 1.0 . 3.61 1001 834 A 37 THR HG2% A 35 ASP HBy 1.0 . 3.61 1002 835 A 38 VAL H A 38 VAL HGy% 1.0 . 3.68 1003 835 A 38 VAL H A 38 VAL HGx% 1.0 . 3.68 1004 836 A 39 LEU H A 38 VAL HGy% 1.0 . 3.76 1005 836 A 39 LEU H A 38 VAL HGx% 1.0 . 3.76 1006 837 A 38 VAL HGx% A 39 LEU HBx 1.0 . 5.04 1007 837 A 38 VAL HGy% A 39 LEU HBx 1.0 . 5.04 1008 837 A 39 LEU HBy A 38 VAL HGy% 1.0 . 5.04 1009 837 A 38 VAL HGx% A 39 LEU HBy 1.0 . 5.04 1010 838 A 42 THR HB A 38 VAL HGy% 1.0 . 3.32 1011 838 A 42 THR HB A 38 VAL HGx% 1.0 . 3.32 1012 839 A 43 VAL HA A 38 VAL HGy% 1.0 . 4.70 1013 839 A 43 VAL HA A 38 VAL HGx% 1.0 . 4.70 1014 840 A 43 VAL HGy% A 38 VAL HGy% 1.0 . 3.67 1015 840 A 43 VAL HGy% A 38 VAL HGx% 1.0 . 3.67 1016 841 A 73 LEU H A 38 VAL HGy% 1.0 . 5.05 1017 841 A 73 LEU H A 38 VAL HGx% 1.0 . 5.05 1018 842 A 73 LEU HBx A 38 VAL HGy% 1.0 . 3.44 1019 842 A 73 LEU HBx A 38 VAL HGx% 1.0 . 3.44 1020 843 A 75 ALA HB% A 38 VAL HGy% 1.0 . 4.43 1021 843 A 75 ALA HB% A 38 VAL HGx% 1.0 . 4.43 1022 844 A 80 TRP HE3 A 38 VAL HGy% 1.0 . 4.76 1023 844 A 80 TRP HE3 A 38 VAL HGx% 1.0 . 4.76 1024 845 A 80 TRP HZ3 A 38 VAL HGy% 1.0 . 5.44 1025 845 A 80 TRP HZ3 A 38 VAL HGx% 1.0 . 5.44 1026 846 A 80 TRP HZ2 A 38 VAL HGy% 1.0 . 3.83 1027 846 A 80 TRP HZ2 A 38 VAL HGx% 1.0 . 3.83 1028 847 A 39 LEU H A 39 LEU HBx 1.0 . 3.55 1029 847 A 39 LEU H A 39 LEU HBy 1.0 . 3.55 1030 848 A 39 LEU H A 39 LEU HDx% 1.0 . 4.23 1031 848 A 39 LEU H A 39 LEU HD21 1.0 . 4.23 1032 849 A 39 LEU HA A 39 LEU HDx% 1.0 . 2.75 1033 849 A 39 LEU HA A 39 LEU HD21 1.0 . 2.75 1034 850 A 39 LEU HBx A 39 LEU HDx% 1.0 . 2.72 1035 850 A 39 LEU HBy A 39 LEU HDx% 1.0 . 2.72 1036 850 A 39 LEU HD21 A 39 LEU HBx 1.0 . 2.72 1037 850 A 39 LEU HBy A 39 LEU HD21 1.0 . 2.72 1038 851 A 40 LEU H A 39 LEU HBx 1.0 . 3.77 1039 851 A 40 LEU H A 39 LEU HBy 1.0 . 3.77 1040 852 A 40 LEU HA A 39 LEU HBx 1.0 . 4.79 1041 852 A 40 LEU HA A 39 LEU HBy 1.0 . 4.79 1042 853 A 41 SER H A 39 LEU HBx 1.0 . 4.31 1043 853 A 41 SER H A 39 LEU HBy 1.0 . 4.31 1044 854 A 39 LEU HBy A 41 SER HBx 1.0 . 3.67 1045 854 A 39 LEU HBx A 41 SER HBx 1.0 . 3.67 1046 854 A 41 SER HBy A 39 LEU HBx 1.0 . 3.67 1047 854 A 39 LEU HBy A 41 SER HBy 1.0 . 3.67 1048 855 A 42 THR H A 39 LEU HBx 1.0 . 3.64 1049 855 A 42 THR H A 39 LEU HBy 1.0 . 3.64 1050 856 A 72 ILE HG1y A 39 LEU HBx 1.0 . 4.50 1051 856 A 72 ILE HG1y A 39 LEU HBy 1.0 . 4.50 1052 857 A 40 LEU H A 39 LEU HDx% 1.0 . 3.29 1053 857 A 40 LEU H A 39 LEU HD21 1.0 . 3.29 1054 858 A 40 LEU HBx A 39 LEU HDx% 1.0 . 5.44 1055 858 A 40 LEU HBx A 39 LEU HD21 1.0 . 5.44 1056 859 A 72 ILE HG1x A 39 LEU HDx% 1.0 . 2.92 1057 859 A 72 ILE HG1x A 39 LEU HD21 1.0 . 2.92 1058 860 A 72 ILE HG1y A 39 LEU HDx% 1.0 . 3.62 1059 860 A 72 ILE HG1y A 39 LEU HD21 1.0 . 3.62 1060 861 A 40 LEU H A 40 LEU HDx% 1.0 . 4.26 1061 861 A 40 LEU H A 40 LEU HD21 1.0 . 4.26 1062 862 A 40 LEU H A 68 LEU HDy% 1.0 . 5.44 1063 862 A 40 LEU H A 68 LEU HDx% 1.0 . 5.44 1064 863 A 40 LEU HA A 40 LEU HDx% 1.0 . 2.99 1065 863 A 40 LEU HA A 40 LEU HD21 1.0 . 2.99 1066 864 A 40 LEU HBx A 68 LEU HDy% 1.0 . 5.08 1067 864 A 40 LEU HBx A 68 LEU HDx% 1.0 . 5.08 1068 865 A 40 LEU HBy A 40 LEU HDx% 1.0 . 2.74 1069 865 A 40 LEU HBy A 40 LEU HD21 1.0 . 2.74 1070 866 A 41 SER H A 40 LEU HDx% 1.0 . 4.28 1071 866 A 41 SER H A 40 LEU HD21 1.0 . 4.28 1072 867 A 41 SER HA A 40 LEU HDx% 1.0 . 4.10 1073 867 A 41 SER HA A 40 LEU HD21 1.0 . 4.10 1074 868 A 42 THR H A 40 LEU HDx% 1.0 . 5.21 1075 868 A 42 THR H A 40 LEU HD21 1.0 . 5.21 1076 869 A 43 VAL H A 40 LEU HDx% 1.0 . 4.31 1077 869 A 43 VAL H A 40 LEU HD21 1.0 . 4.31 1078 870 A 43 VAL HB A 40 LEU HDx% 1.0 . 3.18 1079 870 A 43 VAL HB A 40 LEU HD21 1.0 . 3.18 1080 871 A 44 THR H A 40 LEU HDx% 1.0 . 3.88 1081 871 A 44 THR H A 40 LEU HD21 1.0 . 3.88 1082 872 A 41 SER H A 41 SER HBx 1.0 . 3.64 1083 872 A 41 SER H A 41 SER HBy 1.0 . 3.64 1084 873 A 46 GLN HBx A 46 GLN HE2x 1.0 . 4.89 1085 873 A 46 GLN HBx A 46 GLN HE2y 1.0 . 4.89 1086 874 A 50 ALA HA A 53 LEU HDy% 1.0 . 5.44 1087 874 A 50 ALA HA A 53 LEU HDx% 1.0 . 5.44 1088 875 A 50 ALA HB% A 53 LEU HDy% 1.0 . 3.73 1089 875 A 50 ALA HB% A 53 LEU HDx% 1.0 . 3.73 1090 876 A 51 CYS H A 53 LEU HDy% 1.0 . 4.49 1091 876 A 51 CYS H A 53 LEU HDx% 1.0 . 4.49 1092 877 A 52 GLY H A 53 LEU HDy% 1.0 . 4.42 1093 877 A 52 GLY H A 53 LEU HDx% 1.0 . 4.42 1094 878 A 52 GLY H A 88 ASN HBy 1.0 . 4.40 1095 878 A 52 GLY H A 88 ASN HBx 1.0 . 4.40 1096 879 A 53 LEU H A 88 ASN HBy 1.0 . 5.01 1097 879 A 53 LEU H A 88 ASN HBx 1.0 . 5.01 1098 880 A 53 LEU HA A 53 LEU HDy% 1.0 . 2.90 1099 880 A 53 LEU HA A 53 LEU HDx% 1.0 . 2.90 1100 881 A 53 LEU HBx A 66 VAL HGy% 1.0 . 4.70 1101 881 A 53 LEU HBx A 66 VAL HGx% 1.0 . 4.70 1102 882 A 53 LEU HBy A 66 VAL HGy% 1.0 . 3.59 1103 882 A 53 LEU HBy A 66 VAL HGx% 1.0 . 3.59 1104 883 A 54 ARG H A 53 LEU HDy% 1.0 . 3.91 1105 883 A 54 ARG H A 53 LEU HDx% 1.0 . 3.91 1106 884 A 66 VAL HB A 53 LEU HDy% 1.0 . 4.30 1107 884 A 66 VAL HB A 53 LEU HDx% 1.0 . 4.30 1108 885 A 53 LEU HDx% A 66 VAL HGy% 1.0 . 3.32 1109 885 A 53 LEU HDy% A 66 VAL HGy% 1.0 . 3.32 1110 885 A 66 VAL HGx% A 53 LEU HDy% 1.0 . 3.32 1111 885 A 53 LEU HDx% A 66 VAL HGx% 1.0 . 3.32 1112 886 A 73 LEU HBy A 53 LEU HDy% 1.0 . 3.85 1113 886 A 73 LEU HBy A 53 LEU HDx% 1.0 . 3.85 1114 887 A 73 LEU HG A 53 LEU HDy% 1.0 . 3.76 1115 887 A 73 LEU HG A 53 LEU HDx% 1.0 . 3.76 1116 888 A 53 LEU HDx% A 73 LEU HDy% 1.0 . 4.30 1117 888 A 53 LEU HDy% A 73 LEU HDy% 1.0 . 4.30 1118 888 A 73 LEU HDx% A 53 LEU HDy% 1.0 . 4.30 1119 888 A 53 LEU HDx% A 73 LEU HDx% 1.0 . 4.30 1120 889 A 80 TRP HZ3 A 53 LEU HDy% 1.0 . 5.44 1121 889 A 80 TRP HZ3 A 53 LEU HDx% 1.0 . 5.44 1122 890 A 80 TRP HH2 A 53 LEU HDy% 1.0 . 5.44 1123 890 A 80 TRP HH2 A 53 LEU HDx% 1.0 . 5.44 1124 891 A 85 TYR HE% A 53 LEU HDy% 1.0 . 3.57 1125 891 A 85 TYR HE% A 53 LEU HDx% 1.0 . 3.57 1126 892 A 87 VAL HA A 53 LEU HDy% 1.0 . 2.90 1127 892 A 87 VAL HA A 53 LEU HDx% 1.0 . 2.90 1128 893 A 87 VAL HGx% A 53 LEU HDy% 1.0 . 3.14 1129 893 A 87 VAL HGx% A 53 LEU HDx% 1.0 . 3.14 1130 894 A 88 ASN H A 53 LEU HDy% 1.0 . 4.24 1131 894 A 88 ASN H A 53 LEU HDx% 1.0 . 4.24 1132 895 A 54 ARG H A 66 VAL HGy% 1.0 . 4.79 1133 895 A 54 ARG H A 66 VAL HGx% 1.0 . 4.79 1134 896 A 54 ARG HA A 54 ARG HDy 1.0 . 4.71 1135 896 A 54 ARG HA A 54 ARG HDx 1.0 . 4.71 1136 897 A 54 ARG HBx A 54 ARG HGx 1.0 . 2.56 1137 897 A 54 ARG HBx A 54 ARG HGy 1.0 . 2.56 1138 898 A 54 ARG HBy A 54 ARG HDy 1.0 . 3.39 1139 898 A 54 ARG HBy A 54 ARG HDx 1.0 . 3.39 1140 899 A 54 ARG HE A 54 ARG HGx 1.0 . 3.54 1141 899 A 54 ARG HE A 54 ARG HGy 1.0 . 3.54 1142 900 A 55 TYR H A 54 ARG HGx 1.0 . 3.72 1143 900 A 55 TYR H A 54 ARG HGy 1.0 . 3.72 1144 901 A 54 ARG HGx A 65 GLY HAx 1.0 . 3.43 1145 901 A 54 ARG HGy A 65 GLY HAx 1.0 . 3.43 1146 901 A 65 GLY HAy A 54 ARG HGx 1.0 . 3.43 1147 901 A 65 GLY HAy A 54 ARG HGy 1.0 . 3.43 1148 902 A 54 ARG HDx A 65 GLY HAx 1.0 . 4.17 1149 902 A 54 ARG HDy A 65 GLY HAx 1.0 . 4.17 1150 902 A 65 GLY HAy A 54 ARG HDy 1.0 . 4.17 1151 902 A 65 GLY HAy A 54 ARG HDx 1.0 . 4.17 1152 903 A 86 VAL HB A 54 ARG HDy 1.0 . 4.03 1153 903 A 86 VAL HB A 54 ARG HDx 1.0 . 4.03 1154 904 A 86 VAL HGx% A 54 ARG HDy 1.0 . 3.25 1155 904 A 86 VAL HGx% A 54 ARG HDx 1.0 . 3.25 1156 905 A 86 VAL HGy% A 54 ARG HDy 1.0 . 4.17 1157 905 A 86 VAL HGy% A 54 ARG HDx 1.0 . 4.17 1158 906 A 55 TYR HA A 56 ARG HBx 1.0 . 4.47 1159 906 A 55 TYR HA A 56 ARG HBy 1.0 . 4.47 1160 907 A 55 TYR HA A 66 VAL HGy% 1.0 . 5.24 1161 907 A 55 TYR HA A 66 VAL HGx% 1.0 . 5.24 1162 908 A 55 TYR HBy A 83 LEU HDy% 1.0 . 4.20 1163 908 A 55 TYR HBy A 83 LEU HDx% 1.0 . 4.20 1164 909 A 55 TYR HD% A 64 ARG HDy 1.0 . 3.45 1165 909 A 55 TYR HD% A 64 ARG HDx 1.0 . 3.45 1166 910 A 55 TYR HD% A 66 VAL HGy% 1.0 . 3.24 1167 910 A 55 TYR HD% A 66 VAL HGx% 1.0 . 3.24 1168 911 A 55 TYR HD% A 83 LEU HDy% 1.0 . 3.10 1169 911 A 55 TYR HD% A 83 LEU HDx% 1.0 . 3.10 1170 912 A 55 TYR HE% A 64 ARG HDy 1.0 . 3.75 1171 912 A 55 TYR HE% A 64 ARG HDx 1.0 . 3.75 1172 913 A 55 TYR HE% A 66 VAL HGy% 1.0 . 3.05 1173 913 A 55 TYR HE% A 66 VAL HGx% 1.0 . 3.05 1174 914 A 55 TYR HE% A 83 LEU HDy% 1.0 . 4.14 1175 914 A 55 TYR HE% A 83 LEU HDx% 1.0 . 4.14 1176 915 A 56 ARG H A 57 ASN HBx 1.0 . 4.99 1177 915 A 56 ARG H A 57 ASN HBy 1.0 . 4.99 1178 916 A 56 ARG HA A 56 ARG HGx 1.0 . 3.54 1179 916 A 56 ARG HA A 56 ARG HGy 1.0 . 3.54 1180 917 A 56 ARG HBx A 56 ARG HDx 1.0 . 3.36 1181 917 A 56 ARG HBy A 56 ARG HDx 1.0 . 3.36 1182 917 A 56 ARG HDy A 56 ARG HBx 1.0 . 3.36 1183 917 A 56 ARG HDy A 56 ARG HBy 1.0 . 3.36 1184 918 A 86 VAL HGy% A 56 ARG HBx 1.0 . 3.47 1185 918 A 86 VAL HGy% A 56 ARG HBy 1.0 . 3.47 1186 919 A 56 ARG HE A 56 ARG HGx 1.0 . 3.46 1187 919 A 56 ARG HE A 56 ARG HGy 1.0 . 3.46 1188 920 A 57 ASN HA A 56 ARG HGx 1.0 . 4.56 1189 920 A 57 ASN HA A 56 ARG HGy 1.0 . 4.56 1190 921 A 57 ASN H A 57 ASN HBx 1.0 . 3.47 1191 921 A 57 ASN H A 57 ASN HBy 1.0 . 3.47 1192 922 A 57 ASN HBx A 57 ASN HD2x 1.0 . 3.16 1193 922 A 57 ASN HBy A 57 ASN HD2x 1.0 . 3.16 1194 922 A 57 ASN HD2y A 57 ASN HBx 1.0 . 3.16 1195 922 A 57 ASN HBy A 57 ASN HD2y 1.0 . 3.16 1196 923 A 58 PRO HA A 57 ASN HBx 1.0 . 5.15 1197 923 A 58 PRO HA A 57 ASN HBy 1.0 . 5.15 1198 924 A 58 PRO HDx A 57 ASN HBx 1.0 . 4.08 1199 924 A 58 PRO HDx A 57 ASN HBy 1.0 . 4.08 1200 925 A 58 PRO HDy A 57 ASN HBx 1.0 . 4.65 1201 925 A 58 PRO HDy A 57 ASN HBy 1.0 . 4.65 1202 926 A 60 SER HA A 57 ASN HBx 1.0 . 4.44 1203 926 A 60 SER HA A 57 ASN HBy 1.0 . 4.44 1204 927 A 57 ASN HBy A 60 SER HBx 1.0 . 3.27 1205 927 A 60 SER HBy A 57 ASN HBx 1.0 . 3.27 1206 927 A 57 ASN HBy A 60 SER HBy 1.0 . 3.27 1207 927 A 57 ASN HBx A 60 SER HBx 1.0 . 3.27 1208 928 A 83 LEU HBx A 57 ASN HBx 1.0 . 4.39 1209 928 A 83 LEU HBx A 57 ASN HBy 1.0 . 4.39 1210 929 A 58 PRO HDx A 57 ASN HD2x 1.0 . 4.20 1211 929 A 58 PRO HDx A 57 ASN HD2y 1.0 . 4.20 1212 930 A 60 SER H A 57 ASN HD2x 1.0 . 3.81 1213 930 A 60 SER H A 57 ASN HD2y 1.0 . 3.81 1214 931 A 57 ASN HD2x A 60 SER HBx 1.0 . 4.97 1215 931 A 57 ASN HD2y A 60 SER HBx 1.0 . 4.97 1216 931 A 60 SER HBy A 57 ASN HD2x 1.0 . 4.97 1217 931 A 57 ASN HD2y A 60 SER HBy 1.0 . 4.97 1218 932 A 58 PRO HA A 59 VAL HGy% 1.0 . 5.44 1219 932 A 58 PRO HA A 59 VAL HGx% 1.0 . 5.44 1220 933 A 58 PRO HBx A 59 VAL HGy% 1.0 . 4.89 1221 933 A 58 PRO HBx A 59 VAL HGx% 1.0 . 4.89 1222 934 A 58 PRO HGy A 59 VAL HGy% 1.0 . 3.17 1223 934 A 59 VAL HGx% A 58 PRO HGx 1.0 . 3.17 1224 934 A 59 VAL HGx% A 58 PRO HGy 1.0 . 3.17 1225 934 A 58 PRO HGx A 59 VAL HGy% 1.0 . 3.17 1226 935 A 58 PRO HDx A 59 VAL HGy% 1.0 . 3.36 1227 935 A 58 PRO HDx A 59 VAL HGx% 1.0 . 3.36 1228 936 A 59 VAL H A 59 VAL HGy% 1.0 . 2.87 1229 936 A 59 VAL H A 59 VAL HGx% 1.0 . 2.87 1230 937 A 59 VAL HA A 59 VAL HGy% 1.0 . 2.67 1231 937 A 59 VAL HA A 59 VAL HGx% 1.0 . 2.67 1232 938 A 60 SER HBx A 61 GLN HGx 1.0 . 4.99 1233 938 A 60 SER HBy A 61 GLN HGx 1.0 . 4.99 1234 938 A 61 GLN HGy A 60 SER HBx 1.0 . 4.99 1235 938 A 61 GLN HGy A 60 SER HBy 1.0 . 4.99 1236 939 A 61 GLN HA A 62 CYS HBx 1.0 . 5.32 1237 939 A 61 GLN HA A 62 CYS HBy 1.0 . 5.32 1238 940 A 62 CYS H A 62 CYS HBx 1.0 . 3.60 1239 940 A 62 CYS H A 62 CYS HBy 1.0 . 3.60 1240 941 A 63 MET H A 62 CYS HBx 1.0 . 4.47 1241 941 A 63 MET H A 62 CYS HBy 1.0 . 4.47 1242 942 A 64 ARG HA A 64 ARG HDy 1.0 . 4.38 1243 942 A 64 ARG HA A 64 ARG HDx 1.0 . 4.38 1244 943 A 64 ARG HBx A 64 ARG HDy 1.0 . 3.26 1245 943 A 64 ARG HBy A 64 ARG HDy 1.0 . 3.26 1246 943 A 64 ARG HDx A 64 ARG HBx 1.0 . 3.26 1247 943 A 64 ARG HBy A 64 ARG HDx 1.0 . 3.26 1248 944 A 64 ARG HDx A 65 GLY HAx 1.0 . 4.22 1249 944 A 64 ARG HDy A 65 GLY HAx 1.0 . 4.22 1250 944 A 65 GLY HAy A 64 ARG HDy 1.0 . 4.22 1251 944 A 65 GLY HAy A 64 ARG HDx 1.0 . 4.22 1252 945 A 66 VAL HA A 64 ARG HDy 1.0 . 4.86 1253 945 A 66 VAL HA A 64 ARG HDx 1.0 . 4.86 1254 946 A 76 PRO HA A 64 ARG HDy 1.0 . 5.34 1255 946 A 76 PRO HA A 64 ARG HDx 1.0 . 5.34 1256 947 A 64 ARG HDy A 76 PRO HBx 1.0 . 3.67 1257 947 A 64 ARG HDx A 76 PRO HBx 1.0 . 3.67 1258 947 A 76 PRO HBy A 64 ARG HDy 1.0 . 3.67 1259 947 A 76 PRO HBy A 64 ARG HDx 1.0 . 3.67 1260 948 A 76 PRO HGx A 64 ARG HDy 1.0 . 5.01 1261 948 A 76 PRO HGx A 64 ARG HDx 1.0 . 5.01 1262 949 A 76 PRO HGy A 64 ARG HDy 1.0 . 4.16 1263 949 A 76 PRO HGy A 64 ARG HDx 1.0 . 4.16 1264 950 A 66 VAL H A 66 VAL HGy% 1.0 . 3.22 1265 950 A 66 VAL H A 66 VAL HGx% 1.0 . 3.22 1266 951 A 66 VAL HA A 66 VAL HGy% 1.0 . 2.91 1267 951 A 66 VAL HA A 66 VAL HGx% 1.0 . 2.91 1268 952 A 67 ARG H A 66 VAL HGy% 1.0 . 3.98 1269 952 A 67 ARG H A 66 VAL HGx% 1.0 . 3.98 1270 953 A 73 LEU HA A 66 VAL HGy% 1.0 . 3.61 1271 953 A 73 LEU HA A 66 VAL HGx% 1.0 . 3.61 1272 954 A 73 LEU HBx A 66 VAL HGy% 1.0 . 4.00 1273 954 A 73 LEU HBx A 66 VAL HGx% 1.0 . 4.00 1274 955 A 66 VAL HGy% A 73 LEU HDy% 1.0 . 4.06 1275 955 A 73 LEU HDx% A 66 VAL HGy% 1.0 . 4.06 1276 955 A 73 LEU HDx% A 66 VAL HGx% 1.0 . 4.06 1277 955 A 66 VAL HGx% A 73 LEU HDy% 1.0 . 4.06 1278 956 A 74 HIS HA A 66 VAL HGy% 1.0 . 4.78 1279 956 A 74 HIS HA A 66 VAL HGx% 1.0 . 4.78 1280 957 A 75 ALA HA A 66 VAL HGy% 1.0 . 4.53 1281 957 A 75 ALA HA A 66 VAL HGx% 1.0 . 4.53 1282 958 A 80 TRP HZ3 A 66 VAL HGy% 1.0 . 3.25 1283 958 A 80 TRP HZ3 A 66 VAL HGx% 1.0 . 3.25 1284 959 A 80 TRP HH2 A 66 VAL HGy% 1.0 . 3.22 1285 959 A 80 TRP HH2 A 66 VAL HGx% 1.0 . 3.22 1286 960 A 85 TYR HA A 66 VAL HGy% 1.0 . 4.64 1287 960 A 85 TYR HA A 66 VAL HGx% 1.0 . 4.64 1288 961 A 85 TYR HBx A 66 VAL HGy% 1.0 . 3.73 1289 961 A 85 TYR HBx A 66 VAL HGx% 1.0 . 3.73 1290 962 A 67 ARG H A 67 ARG HBx 1.0 . 3.55 1291 962 A 67 ARG H A 67 ARG HBy 1.0 . 3.55 1292 963 A 67 ARG HBx A 67 ARG HDx 1.0 . 3.27 1293 963 A 67 ARG HBy A 67 ARG HDx 1.0 . 3.27 1294 963 A 67 ARG HDy A 67 ARG HBx 1.0 . 3.27 1295 963 A 67 ARG HBy A 67 ARG HDy 1.0 . 3.27 1296 964 A 67 ARG HE A 67 ARG HBx 1.0 . 4.68 1297 964 A 67 ARG HE A 67 ARG HBy 1.0 . 4.68 1298 965 A 74 HIS HBy A 67 ARG HBx 1.0 . 3.60 1299 965 A 74 HIS HBy A 67 ARG HBy 1.0 . 3.60 1300 966 A 67 ARG HGy A 69 VAL HGy% 1.0 . 3.86 1301 966 A 67 ARG HGx A 69 VAL HGy% 1.0 . 3.86 1302 966 A 69 VAL HGx% A 67 ARG HGx 1.0 . 3.86 1303 966 A 67 ARG HGy A 69 VAL HGx% 1.0 . 3.86 1304 967 A 68 LEU H A 67 ARG HDx 1.0 . 4.03 1305 967 A 68 LEU H A 67 ARG HDy 1.0 . 4.03 1306 968 A 67 ARG HE A 69 VAL HGy% 1.0 . 4.51 1307 968 A 67 ARG HE A 69 VAL HGx% 1.0 . 4.51 1308 969 A 68 LEU HA A 68 LEU HDy% 1.0 . 2.91 1309 969 A 68 LEU HA A 68 LEU HDx% 1.0 . 2.91 1310 970 A 68 LEU HA A 69 VAL HGy% 1.0 . 4.41 1311 970 A 68 LEU HA A 69 VAL HGx% 1.0 . 4.41 1312 971 A 68 LEU HA A 73 LEU HDy% 1.0 . 4.22 1313 971 A 68 LEU HA A 73 LEU HDx% 1.0 . 4.22 1314 972 A 68 LEU HBy A 68 LEU HDy% 1.0 . 2.80 1315 972 A 68 LEU HBy A 68 LEU HDx% 1.0 . 2.80 1316 973 A 68 LEU HBy A 73 LEU HDy% 1.0 . 4.18 1317 973 A 68 LEU HBy A 73 LEU HDx% 1.0 . 4.18 1318 974 A 68 LEU HG A 73 LEU HDy% 1.0 . 3.74 1319 974 A 68 LEU HG A 73 LEU HDx% 1.0 . 3.74 1320 975 A 69 VAL H A 68 LEU HDy% 1.0 . 3.34 1321 975 A 69 VAL H A 68 LEU HDx% 1.0 . 3.34 1322 976 A 69 VAL HA A 68 LEU HDy% 1.0 . 4.08 1323 976 A 69 VAL HA A 68 LEU HDx% 1.0 . 4.08 1324 977 A 70 GLU HA A 68 LEU HDy% 1.0 . 4.56 1325 977 A 70 GLU HA A 68 LEU HDx% 1.0 . 4.56 1326 978 A 71 GLY H A 68 LEU HDy% 1.0 . 3.30 1327 978 A 71 GLY H A 68 LEU HDx% 1.0 . 3.30 1328 979 A 72 ILE H A 68 LEU HDy% 1.0 . 3.72 1329 979 A 72 ILE H A 68 LEU HDx% 1.0 . 3.72 1330 980 A 73 LEU H A 68 LEU HDy% 1.0 . 5.44 1331 980 A 73 LEU H A 68 LEU HDx% 1.0 . 5.44 1332 981 A 73 LEU HBx A 68 LEU HDy% 1.0 . 4.40 1333 981 A 73 LEU HBx A 68 LEU HDx% 1.0 . 4.40 1334 982 A 73 LEU HG A 68 LEU HDy% 1.0 . 3.79 1335 982 A 73 LEU HG A 68 LEU HDx% 1.0 . 3.79 1336 983 A 68 LEU HDy% A 73 LEU HDy% 1.0 . 4.72 1337 983 A 73 LEU HDx% A 68 LEU HDy% 1.0 . 4.72 1338 983 A 68 LEU HDx% A 73 LEU HDx% 1.0 . 4.72 1339 983 A 68 LEU HDx% A 73 LEU HDy% 1.0 . 4.72 1340 984 A 69 VAL HA A 69 VAL HGy% 1.0 . 2.89 1341 984 A 69 VAL HA A 69 VAL HGx% 1.0 . 2.89 1342 985 A 70 GLU H A 69 VAL HGy% 1.0 . 3.75 1343 985 A 70 GLU H A 69 VAL HGx% 1.0 . 3.75 1344 986 A 69 VAL HGx% A 70 GLU HGx 1.0 . 2.80 1345 986 A 69 VAL HGy% A 70 GLU HGx 1.0 . 2.80 1346 986 A 70 GLU HGy A 69 VAL HGy% 1.0 . 2.80 1347 986 A 70 GLU HGy A 69 VAL HGx% 1.0 . 2.80 1348 987 A 72 ILE HB A 69 VAL HGy% 1.0 . 2.92 1349 987 A 72 ILE HB A 69 VAL HGx% 1.0 . 2.92 1350 988 A 72 ILE HG2% A 69 VAL HGy% 1.0 . 4.13 1351 988 A 72 ILE HG2% A 69 VAL HGx% 1.0 . 4.13 1352 989 A 73 LEU HA A 69 VAL HGy% 1.0 . 4.87 1353 989 A 73 LEU HA A 69 VAL HGx% 1.0 . 4.87 1354 990 A 74 HIS HBx A 69 VAL HGy% 1.0 . 4.29 1355 990 A 74 HIS HBx A 69 VAL HGx% 1.0 . 4.29 1356 991 A 74 HIS HBy A 69 VAL HGy% 1.0 . 3.98 1357 991 A 74 HIS HBy A 69 VAL HGx% 1.0 . 3.98 1358 992 A 72 ILE H A 70 GLU HBy 1.0 . 4.77 1359 992 A 72 ILE H A 70 GLU HBx 1.0 . 4.77 1360 993 A 72 ILE HD1% A 70 GLU HBy 1.0 . 3.17 1361 993 A 72 ILE HD1% A 70 GLU HBx 1.0 . 3.17 1362 994 A 72 ILE HA A 73 LEU HDy% 1.0 . 4.10 1363 994 A 72 ILE HA A 73 LEU HDx% 1.0 . 4.10 1364 995 A 73 LEU H A 73 LEU HDy% 1.0 . 3.47 1365 995 A 73 LEU H A 73 LEU HDx% 1.0 . 3.47 1366 996 A 73 LEU HA A 73 LEU HDy% 1.0 . 3.68 1367 996 A 73 LEU HA A 73 LEU HDx% 1.0 . 3.68 1368 997 A 73 LEU HBx A 73 LEU HDy% 1.0 . 3.04 1369 997 A 73 LEU HBx A 73 LEU HDx% 1.0 . 3.04 1370 998 A 80 TRP HH2 A 73 LEU HDy% 1.0 . 4.00 1371 998 A 80 TRP HH2 A 73 LEU HDx% 1.0 . 4.00 1372 999 A 77 ASP H A 77 ASP HBx 1.0 . 3.40 1373 999 A 77 ASP H A 77 ASP HBy 1.0 . 3.40 1374 1000 A 78 ALA H A 77 ASP HBx 1.0 . 4.21 1375 1000 A 78 ALA H A 77 ASP HBy 1.0 . 4.21 1376 1001 A 78 ALA HB% A 77 ASP HBx 1.0 . 4.84 1377 1001 A 78 ALA HB% A 77 ASP HBy 1.0 . 4.84 1378 1002 A 82 ASN HA A 83 LEU HDy% 1.0 . 4.19 1379 1002 A 82 ASN HA A 83 LEU HDx% 1.0 . 4.19 1380 1003 A 83 LEU HA A 83 LEU HDy% 1.0 . 3.97 1381 1003 A 83 LEU HA A 83 LEU HDx% 1.0 . 3.97 1382 1004 A 83 LEU HA A 84 VAL HGy% 1.0 . 3.85 1383 1004 A 83 LEU HA A 84 VAL HGx% 1.0 . 3.85 1384 1005 A 84 VAL H A 83 LEU HDy% 1.0 . 4.38 1385 1005 A 84 VAL H A 83 LEU HDx% 1.0 . 4.38 1386 1006 A 84 VAL HA A 83 LEU HDy% 1.0 . 5.02 1387 1006 A 84 VAL HA A 83 LEU HDx% 1.0 . 5.02 1388 1007 A 85 TYR HBy A 83 LEU HDy% 1.0 . 4.10 1389 1007 A 85 TYR HBy A 83 LEU HDx% 1.0 . 4.10 1390 1008 A 84 VAL HA A 84 VAL HGy% 1.0 . 2.69 1391 1008 A 84 VAL HA A 84 VAL HGx% 1.0 . 2.69 1392 1009 A 85 TYR H A 84 VAL HGy% 1.0 . 3.65 1393 1009 A 85 TYR H A 84 VAL HGx% 1.0 . 3.65 1394 1010 A 85 TYR HA A 84 VAL HGy% 1.0 . 4.77 1395 1010 A 85 TYR HA A 84 VAL HGx% 1.0 . 4.77 1396 1011 A 85 TYR HBy A 84 VAL HGy% 1.0 . 4.53 1397 1011 A 85 TYR HBy A 84 VAL HGx% 1.0 . 4.53 1398 1012 A 87 VAL HA A 88 ASN HBy 1.0 . 4.31 1399 1012 A 87 VAL HA A 88 ASN HBx 1.0 . 4.31 1400 1013 A 88 ASN H A 88 ASN HBy 1.0 . 3.52 1401 1013 A 88 ASN H A 88 ASN HBx 1.0 . 3.52 1402 1014 A 88 ASN HBx A 88 ASN HD2x 1.0 . 3.22 1403 1014 A 88 ASN HBy A 88 ASN HD2x 1.0 . 3.22 1404 1014 A 88 ASN HD2y A 88 ASN HBy 1.0 . 3.22 1405 1014 A 88 ASN HBx A 88 ASN HD2y 1.0 . 3.22 1406 1015 A 89 TYR H A 88 ASN HBy 1.0 . 4.28 1407 1015 A 89 TYR H A 88 ASN HBx 1.0 . 4.28 1408 1016 A 89 TYR H A 89 TYR HBx 1.0 . 3.69 1409 1016 A 89 TYR H A 89 TYR HBy 1.0 . 3.69 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _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 7 HIS C A 8 HIS N A 8 HIS CA A 8 HIS C 1.0 -121.7 -25.4 PHI 2 2 A 8 HIS N A 8 HIS CA A 8 HIS C A 9 HIS N 1.0 -107.2 4.4 PSI 3 3 A 14 SER C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -151.6 -33.0 PHI 4 4 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 TYR N 1.0 81.7 216.8 PSI 5 5 A 15 GLU C A 16 TYR N A 16 TYR CA A 16 TYR C 1.0 -158.3 -87.1 PHI 6 6 A 16 TYR N A 16 TYR CA A 16 TYR C A 17 ILE N 1.0 136.1 181.4 PSI 7 7 A 16 TYR C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -148.9 -100.5 PHI 8 8 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 ARG N 1.0 121.4 169.6 PSI 9 9 A 17 ILE C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -161.1 -67.6 PHI 10 10 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 VAL N 1.0 102.9 167.7 PSI 11 11 A 18 ARG C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -143.6 -98.3 PHI 12 12 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 THR N 1.0 115.6 174.3 PSI 13 13 A 19 VAL C A 20 THR N A 20 THR CA A 20 THR C 1.0 -154.5 -102.0 PHI 14 14 A 20 THR N A 20 THR CA A 20 THR C A 21 GLU N 1.0 109.5 199.1 PSI 15 15 A 22 ASP C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -71.4 -50.7 PHI 16 16 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 ASN N 1.0 -48.5 -12.9 PSI 17 17 A 25 ASP C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -104.1 -46.0 PHI 18 18 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 PRO N 1.0 109.2 167.4 PSI 19 19 A 27 PRO C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -173.8 -73.1 PHI 20 20 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 GLU N 1.0 141.5 176.8 PSI 21 21 A 29 GLU C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -149.7 -37.3 PHI 22 22 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 PRO N 1.0 77.3 157.1 PSI 23 23 A 31 PRO C A 32 SER N A 32 SER CA A 32 SER C 1.0 -173.2 -55.6 PHI 24 24 A 32 SER N A 32 SER CA A 32 SER C A 33 GLU N 1.0 149.2 188.6 PSI 25 25 A 33 GLU C A 34 ASP N A 34 ASP CA A 34 ASP C 1.0 -81.8 -27.9 PHI 26 26 A 34 ASP N A 34 ASP CA A 34 ASP C A 35 ASP N 1.0 -59.9 -11.3 PSI 27 27 A 34 ASP C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -120.3 -70.4 PHI 28 28 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 GLY N 1.0 -20.9 20.5 PSI 29 29 A 40 LEU C A 41 SER N A 41 SER CA A 41 SER C 1.0 -73.5 -53.5 PHI 30 30 A 41 SER N A 41 SER CA A 41 SER C A 42 THR N 1.0 -52.1 -28.5 PSI 31 31 A 41 SER C A 42 THR N A 42 THR CA A 42 THR C 1.0 -82.8 -54.0 PHI 32 32 A 42 THR N A 42 THR CA A 42 THR C A 43 VAL N 1.0 -53.3 -31.5 PSI 33 33 A 42 THR C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -72.8 -50.6 PHI 34 34 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 THR N 1.0 -65.2 -25.5 PSI 35 35 A 43 VAL C A 44 THR N A 44 THR CA A 44 THR C 1.0 -74.7 -45.5 PHI 36 36 A 44 THR N A 44 THR CA A 44 THR C A 45 ALA N 1.0 -62.1 -20.6 PSI 37 37 A 45 ALA C A 46 GLN N A 46 GLN CA A 46 GLN C 1.0 -111.2 -56.4 PHI 38 38 A 46 GLN N A 46 GLN CA A 46 GLN C A 47 PHE N 1.0 -59.9 14.7 PSI 39 39 A 46 GLN C A 47 PHE N A 47 PHE CA A 47 PHE C 1.0 -158.4 -75.5 PHI 40 40 A 47 PHE N A 47 PHE CA A 47 PHE C A 48 PRO N 1.0 31.0 132.7 PSI 41 41 A 50 ALA C A 51 CYS N A 51 CYS CA A 51 CYS C 1.0 -187.9 -74.9 PHI 42 42 A 51 CYS N A 51 CYS CA A 51 CYS C A 52 GLY N 1.0 93.0 171.0 PSI 43 43 A 52 GLY C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -181.7 -117.2 PHI 44 44 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 ARG N 1.0 141.7 180.6 PSI 45 45 A 53 LEU C A 54 ARG N A 54 ARG CA A 54 ARG C 1.0 -175.0 -90.9 PHI 46 46 A 54 ARG N A 54 ARG CA A 54 ARG C A 55 TYR N 1.0 128.7 173.3 PSI 47 47 A 54 ARG C A 55 TYR N A 55 TYR CA A 55 TYR C 1.0 -168.6 -100.8 PHI 48 48 A 55 TYR N A 55 TYR CA A 55 TYR C A 56 ARG N 1.0 124.3 180.2 PSI 49 49 A 59 VAL C A 60 SER N A 60 SER CA A 60 SER C 1.0 -117.3 -61.2 PHI 50 50 A 60 SER N A 60 SER CA A 60 SER C A 61 GLN N 1.0 -25.5 19.0 PSI 51 51 A 60 SER C A 61 GLN N A 61 GLN CA A 61 GLN C 1.0 46.6 73.1 PHI 52 52 A 61 GLN N A 61 GLN CA A 61 GLN C A 62 CYS N 1.0 1.7 63.2 PSI 53 53 A 62 CYS C A 63 MET N A 63 MET CA A 63 MET C 1.0 -131.0 -60.7 PHI 54 54 A 63 MET N A 63 MET CA A 63 MET C A 64 ARG N 1.0 83.1 145.4 PSI 55 55 A 63 MET C A 64 ARG N A 64 ARG CA A 64 ARG C 1.0 -147.5 -81.1 PHI 56 56 A 64 ARG N A 64 ARG CA A 64 ARG C A 65 GLY N 1.0 103.9 161.2 PSI 57 57 A 76 PRO C A 77 ASP N A 77 ASP CA A 77 ASP C 1.0 -70.8 -43.9 PHI 58 58 A 77 ASP N A 77 ASP CA A 77 ASP C A 78 ALA N 1.0 -49.0 -10.0 PSI 59 59 A 85 TYR C A 86 VAL N A 86 VAL CA A 86 VAL C 1.0 -165.7 -68.1 PHI 60 60 A 86 VAL N A 86 VAL CA A 86 VAL C A 87 VAL N 1.0 101.2 163.6 PSI stop_ save_