data_nef_c36005_5ggm 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 5GGM stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 20 ASP OD2 2 1 CA CA 1 31 GLU OE2 2 1 CA CA 1 56 ASP OD1 3 1 TB TB 1 58 ASP OD2 3 1 TB TB 1 60 ASP OD1 3 1 TB TB 1 60 ASP OD2 3 1 TB TB 1 62 THR O 3 1 TB TB 1 67 GLU OE1 3 1 TB TB 1 67 GLU OE2 3 1 TB TB 1 93 ASP OD1 2 2 CA CA 1 104 GLU OE1 2 2 CA CA 1 135 GLN OE1 2 3 CA CA 1 140 GLU OE2 2 3 CA CA stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ALA start . . 2 A 2 ASP middle . . 3 A 3 GLN middle . . 4 A 4 LEU middle . . 5 A 5 THR middle . . 6 A 6 GLU middle . . 7 A 7 GLU middle . . 8 A 8 GLN middle . . 9 A 9 ILE middle . . 10 A 10 ALA middle . . 11 A 11 GLU middle . . 12 A 12 PHE middle . . 13 A 13 LYS middle . . 14 A 14 GLU middle . . 15 A 15 ALA middle . . 16 A 16 PHE middle . . 17 A 17 SER middle . . 18 A 18 LEU middle . . 19 A 19 PHE middle . . 20 A 20 ASP middle . . 21 A 21 LYS middle . . 22 A 22 ASP middle . . 23 A 23 GLY middle . false 24 A 24 ASP middle . . 25 A 25 GLY middle . false 26 A 26 THR middle . . 27 A 27 ILE middle . . 28 A 28 THR middle . . 29 A 29 THR middle . . 30 A 30 LYS middle . . 31 A 31 GLU middle . . 32 A 32 LEU middle . . 33 A 33 GLY middle . false 34 A 34 THR middle . . 35 A 35 VAL middle . . 36 A 36 MET middle . . 37 A 37 ARG middle . . 38 A 38 SER middle . . 39 A 39 LEU middle . . 40 A 40 GLY middle . false 41 A 41 GLN middle . . 42 A 42 ASN middle . . 43 A 43 PRO middle . false 44 A 44 THR middle . . 45 A 45 GLU middle . . 46 A 46 ALA middle . . 47 A 47 GLU middle . . 48 A 48 LEU middle . . 49 A 49 GLN middle . . 50 A 50 ASP middle . . 51 A 51 MET middle . . 52 A 52 ILE middle . . 53 A 53 ASN middle . . 54 A 54 GLU middle . . 55 A 55 VAL middle . . 56 A 56 ASP middle . . 57 A 57 ALA middle . . 58 A 58 ASP middle . . 59 A 59 GLY middle . false 60 A 60 ASP middle . . 61 A 61 GLY middle . false 62 A 62 THR middle . . 63 A 63 ILE middle . . 64 A 64 ASP middle . . 65 A 65 PHE middle . . 66 A 66 PRO middle . false 67 A 67 GLU middle . . 68 A 68 PHE middle . . 69 A 69 LEU middle . . 70 A 70 THR middle . . 71 A 71 MET middle . . 72 A 72 MET middle . . 73 A 73 ALA middle . . 74 A 74 ARG middle . . 75 A 75 LYS middle . . 76 A 76 MET middle . . 77 A 77 LYS middle . . 78 A 78 ASP middle . . 79 A 79 THR middle . . 80 A 80 ASP middle . . 81 A 81 SER middle . . 82 A 82 GLU middle . . 83 A 83 GLU middle . . 84 A 84 GLU middle . . 85 A 85 ILE middle . . 86 A 86 ARG middle . . 87 A 87 GLU middle . . 88 A 88 ALA middle . . 89 A 89 PHE middle . . 90 A 90 ARG middle . . 91 A 91 VAL middle . . 92 A 92 PHE middle . . 93 A 93 ASP middle . . 94 A 94 LYS middle . . 95 A 95 ASP middle . . 96 A 96 GLY middle . false 97 A 97 ASN middle . . 98 A 98 GLY middle . false 99 A 99 TYR middle . . 100 A 100 ILE middle . . 101 A 101 SER middle . . 102 A 102 ALA middle . . 103 A 103 ALA middle . . 104 A 104 GLU middle . . 105 A 105 LEU middle . . 106 A 106 ARG middle . . 107 A 107 HIS middle . . 108 A 108 VAL middle . . 109 A 109 MET middle . . 110 A 110 THR middle . . 111 A 111 ASN middle . . 112 A 112 LEU middle . . 113 A 113 GLY middle . false 114 A 114 GLU middle . . 115 A 115 LYS middle . . 116 A 116 LEU middle . . 117 A 117 THR middle . . 118 A 118 ASP middle . . 119 A 119 GLU middle . . 120 A 120 GLU middle . . 121 A 121 VAL middle . . 122 A 122 ASP middle . . 123 A 123 GLU middle . . 124 A 124 MET middle . . 125 A 125 ILE middle . . 126 A 126 ARG middle . . 127 A 127 GLU middle . . 128 A 128 ALA middle . . 129 A 129 ASP middle . . 130 A 130 ILE middle . . 131 A 131 ASP middle . . 132 A 132 GLY middle . false 133 A 133 ASP middle . . 134 A 134 GLY middle . false 135 A 135 GLN middle . . 136 A 136 VAL middle . . 137 A 137 ASN middle . . 138 A 138 TYR middle . . 139 A 139 GLU middle . . 140 A 140 GLU middle . . 141 A 141 PHE middle . . 142 A 142 VAL middle . . 143 A 143 GLN middle . . 144 A 144 MET middle . . 145 A 145 MET middle . . 146 A 146 THR middle . . 147 A 147 ALA middle . . 148 A 148 LYS end . . 149 C 1 CA . . . 150 C 2 CA . . . 151 C 3 CA . . . 152 B 1 TB . . . stop_ save_ save_assigned_chemical_shifts_3 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_3 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 GLN H H 1 8.209 . A 3 GLN HA H 1 4.315 . A 3 GLN HBy H 1 2.013 . A 3 GLN HBx H 1 1.893 . A 3 GLN HGx H 1 2.279 . A 3 GLN HGy H 1 2.279 . A 3 GLN CA C 13 54.239 . A 3 GLN CB C 13 28.570 . A 3 GLN CG C 13 32.536 . A 3 GLN N N 15 120.005 . A 4 LEU H H 1 8.188 . A 4 LEU HA H 1 4.588 . A 4 LEU HBy H 1 1.667 . A 4 LEU HBx H 1 1.424 . A 4 LEU HDx% H 1 0.843 . A 4 LEU HDy% H 1 0.834 . A 4 LEU CA C 13 53.125 . A 4 LEU CB C 13 42.209 . A 4 LEU CDy C 13 25.604 . A 4 LEU CDx C 13 22.299 . A 4 LEU N N 15 123.611 . A 5 THR H H 1 8.678 . A 5 THR HA H 1 4.386 . A 5 THR HB H 1 4.702 . A 5 THR HG2% H 1 1.258 . A 5 THR CA C 13 59.217 . A 5 THR CB C 13 69.956 . A 5 THR CG2 C 13 20.439 . A 5 THR N N 15 113.586 . A 6 GLU H H 1 8.936 . A 6 GLU HA H 1 3.904 . A 6 GLU HBx H 1 1.982 . A 6 GLU HBy H 1 1.982 . A 6 GLU HGx H 1 2.306 . A 6 GLU HGy H 1 2.306 . A 6 GLU CA C 13 58.962 . A 6 GLU CB C 13 27.980 . A 6 GLU CG C 13 35.421 . A 6 GLU N N 15 121.101 . A 7 GLU H H 1 8.627 . A 7 GLU HA H 1 3.964 . A 7 GLU HBx H 1 1.945 . A 7 GLU HBy H 1 1.945 . A 7 GLU HGx H 1 2.254 . A 7 GLU CA C 13 58.871 . A 7 GLU CB C 13 27.894 . A 7 GLU CG C 13 35.849 . A 7 GLU N N 15 120.231 . A 8 GLN H H 1 7.652 . A 8 GLN HA H 1 3.875 . A 8 GLN HGx H 1 2.285 . A 8 GLN HGy H 1 2.285 . A 8 GLN CA C 13 57.534 . A 8 GLN CB C 13 28.003 . A 8 GLN N N 15 120.542 . A 9 ILE H H 1 8.349 . A 9 ILE HA H 1 3.611 . A 9 ILE HB H 1 1.858 . A 9 ILE HD1% H 1 0.780 . A 9 ILE HG1x H 1 0.977 . A 9 ILE HG1y H 1 0.977 . A 9 ILE HG2% H 1 1.069 . A 9 ILE CA C 13 65.274 . A 9 ILE CB C 13 36.724 . A 9 ILE CD1 C 13 11.783 . A 9 ILE CG1 C 13 29.044 . A 9 ILE CG2 C 13 16.170 . A 9 ILE N N 15 120.139 . A 10 ALA H H 1 7.884 . A 10 ALA HA H 1 4.030 . A 10 ALA HB% H 1 1.458 . A 10 ALA CA C 13 54.128 . A 10 ALA CB C 13 16.565 . A 10 ALA N N 15 121.614 . A 11 GLU H H 1 7.709 . A 11 GLU HA H 1 4.047 . A 11 GLU HBx H 1 2.058 . A 11 GLU HBy H 1 2.058 . A 11 GLU CA C 13 58.274 . A 11 GLU CB C 13 28.057 . A 11 GLU N N 15 120.166 . A 12 PHE H H 1 8.507 . A 12 PHE HA H 1 4.796 . A 12 PHE HBy H 1 3.517 . A 12 PHE HBx H 1 3.402 . A 12 PHE HDx H 1 7.124 . A 12 PHE HDy H 1 7.126 . A 12 PHE HEx H 1 7.135 . A 12 PHE HEy H 1 7.147 . A 12 PHE HZ H 1 7.096 . A 12 PHE CA C 13 58.558 . A 12 PHE CB C 13 36.516 . A 12 PHE N N 15 119.460 . A 13 LYS H H 1 9.079 . A 13 LYS HA H 1 3.852 . A 13 LYS HBx H 1 1.847 . A 13 LYS HBy H 1 1.847 . A 13 LYS HDx H 1 1.071 . A 13 LYS HDy H 1 1.071 . A 13 LYS HEx H 1 2.483 . A 13 LYS HEy H 1 2.483 . A 13 LYS HGx H 1 0.935 . A 13 LYS HGy H 1 0.935 . A 13 LYS CA C 13 58.428 . A 13 LYS CB C 13 30.402 . A 13 LYS CD C 13 27.172 . A 13 LYS CE C 13 40.591 . A 13 LYS CG C 13 23.971 . A 13 LYS N N 15 124.127 . A 14 GLU H H 1 7.709 . A 14 GLU HA H 1 4.070 . A 14 GLU CA C 13 58.185 . A 14 GLU CB C 13 27.852 . A 14 GLU N N 15 120.792 . A 15 ALA H H 1 7.806 . A 15 ALA HA H 1 4.083 . A 15 ALA HB% H 1 1.791 . A 15 ALA CA C 13 54.064 . A 15 ALA CB C 13 17.076 . A 15 ALA N N 15 121.800 . A 16 PHE H H 1 8.640 . A 16 PHE HA H 1 3.287 . A 16 PHE HBy H 1 3.107 . A 16 PHE HBx H 1 2.735 . A 16 PHE HDx H 1 6.565 . A 16 PHE HEx H 1 7.163 . A 16 PHE HZ H 1 6.962 . A 16 PHE CA C 13 60.899 . A 16 PHE CB C 13 38.545 . A 16 PHE N N 15 119.196 . A 17 SER H H 1 8.076 . A 17 SER HA H 1 4.039 . A 17 SER HBx H 1 3.973 . A 17 SER CA C 13 60.442 . A 17 SER CB C 13 62.082 . A 17 SER N N 15 114.057 . A 18 LEU H H 1 7.296 . A 18 LEU HA H 1 3.924 . A 18 LEU HBy H 1 1.616 . A 18 LEU HBx H 1 1.375 . A 18 LEU HDx% H 1 0.769 . A 18 LEU HDy% H 1 0.621 . A 18 LEU CA C 13 55.889 . A 18 LEU CB C 13 40.028 . A 18 LEU CDy C 13 23.972 . A 18 LEU CDx C 13 22.203 . A 18 LEU N N 15 120.703 . A 19 PHE H H 1 7.014 . A 19 PHE HA H 1 4.114 . A 19 PHE HBx H 1 2.603 . A 19 PHE HBy H 1 2.603 . A 19 PHE HDx H 1 7.122 . A 19 PHE HDy H 1 7.122 . A 19 PHE CA C 13 57.597 . A 19 PHE CB C 13 39.951 . A 19 PHE N N 15 114.309 . A 20 ASP H H 1 7.548 . A 20 ASP HA H 1 4.490 . A 20 ASP HBy H 1 2.301 . A 20 ASP HBx H 1 1.515 . A 20 ASP CA C 13 51.073 . A 20 ASP CB C 13 38.063 . A 20 ASP N N 15 117.523 . A 21 LYS H H 1 7.541 . A 21 LYS HA H 1 3.912 . A 21 LYS HBx H 1 1.821 . A 21 LYS HBy H 1 1.821 . A 21 LYS HGx H 1 1.495 . A 21 LYS HGy H 1 1.495 . A 21 LYS CA C 13 56.935 . A 21 LYS CB C 13 31.128 . A 21 LYS CD C 13 26.875 . A 21 LYS CG C 13 22.914 . A 21 LYS N N 15 124.613 . A 22 ASP H H 1 8.021 . A 22 ASP HA H 1 4.535 . A 22 ASP HBy H 1 2.988 . A 22 ASP HBx H 1 2.586 . A 22 ASP CA C 13 51.714 . A 22 ASP CB C 13 38.284 . A 22 ASP N N 15 114.721 . A 23 GLY H H 1 7.619 . A 23 GLY HAx H 1 3.816 . A 23 GLY HAy H 1 3.816 . A 23 GLY CA C 13 46.005 . A 23 GLY N N 15 110.044 . A 24 ASP H H 1 8.383 . A 24 ASP HA H 1 4.427 . A 24 ASP HBy H 1 2.996 . A 24 ASP HBx H 1 2.363 . A 24 ASP CA C 13 52.536 . A 24 ASP CB C 13 39.240 . A 24 ASP N N 15 121.619 . A 25 GLY H H 1 10.543 . A 25 GLY HAy H 1 4.321 . A 25 GLY HAx H 1 3.641 . A 25 GLY CA C 13 44.049 . A 25 GLY N N 15 113.691 . A 26 THR H H 1 8.142 . A 26 THR HA H 1 5.394 . A 26 THR HB H 1 3.772 . A 26 THR HG2% H 1 0.983 . A 26 THR CA C 13 58.204 . A 26 THR CB C 13 71.561 . A 26 THR CG2 C 13 20.883 . A 26 THR N N 15 112.869 . A 27 ILE H H 1 9.859 . A 27 ILE HA H 1 4.761 . A 27 ILE HB H 1 1.602 . A 27 ILE HD1% H 1 0.145 . A 27 ILE HG2% H 1 0.802 . A 27 ILE CA C 13 59.618 . A 27 ILE CB C 13 38.584 . A 27 ILE CD1 C 13 13.737 . A 27 ILE CG1 C 13 25.526 . A 27 ILE CG2 C 13 15.933 . A 27 ILE N N 15 127.518 . A 28 THR H H 1 8.303 . A 28 THR HA H 1 4.787 . A 28 THR HB H 1 4.774 . A 28 THR HG2% H 1 1.218 . A 28 THR CA C 13 58.086 . A 28 THR CB C 13 71.273 . A 28 THR CG2 C 13 20.651 . A 28 THR N N 15 117.089 . A 29 THR H H 1 9.141 . A 29 THR HA H 1 3.710 . A 29 THR HB H 1 4.154 . A 29 THR HG2% H 1 1.202 . A 29 THR CA C 13 65.238 . A 29 THR CB C 13 66.700 . A 29 THR CG2 C 13 21.936 . A 29 THR N N 15 113.653 . A 30 LYS H H 1 7.567 . A 30 LYS HA H 1 4.092 . A 30 LYS HBx H 1 1.794 . A 30 LYS HBy H 1 1.794 . A 30 LYS CA C 13 57.864 . A 30 LYS CB C 13 31.257 . A 30 LYS N N 15 121.864 . A 31 GLU H H 1 7.693 . A 31 GLU HA H 1 4.024 . A 31 GLU CA C 13 58.312 . A 31 GLU CB C 13 28.104 . A 31 GLU N N 15 122.529 . A 32 LEU H H 1 8.560 . A 32 LEU HA H 1 4.126 . A 32 LEU HBx H 1 1.884 . A 32 LEU HBy H 1 1.884 . A 32 LEU HDx% H 1 0.863 . A 32 LEU HDy% H 1 0.906 . A 32 LEU CA C 13 57.034 . A 32 LEU CB C 13 40.872 . A 32 LEU CDy C 13 25.235 . A 32 LEU CDx C 13 22.338 . A 32 LEU N N 15 120.883 . A 33 GLY H H 1 8.763 . A 33 GLY HAy H 1 3.877 . A 33 GLY HAx H 1 3.503 . A 33 GLY CA C 13 47.285 . A 33 GLY N N 15 107.200 . A 34 THR H H 1 8.054 . A 34 THR HA H 1 3.891 . A 34 THR HB H 1 4.337 . A 34 THR HG2% H 1 1.221 . A 34 THR CA C 13 65.903 . A 34 THR CB C 13 67.464 . A 34 THR CG2 C 13 20.231 . A 34 THR N N 15 119.542 . A 35 VAL H H 1 7.677 . A 35 VAL HA H 1 3.525 . A 35 VAL HB H 1 2.002 . A 35 VAL HGx% H 1 0.777 . A 35 VAL HGy% H 1 0.445 . A 35 VAL CA C 13 65.535 . A 35 VAL CB C 13 30.438 . A 35 VAL CGy C 13 21.798 . A 35 VAL CGx C 13 19.351 . A 35 VAL N N 15 123.159 . A 36 MET H H 1 8.456 . A 36 MET HA H 1 3.941 . A 36 MET HBx H 1 2.016 . A 36 MET HBy H 1 2.016 . A 36 MET HGx H 1 2.487 . A 36 MET HGy H 1 2.487 . A 36 MET CA C 13 57.721 . A 36 MET CB C 13 30.179 . A 36 MET N N 15 117.900 . A 37 ARG H H 1 8.599 . A 37 ARG CA C 13 58.018 . A 37 ARG CB C 13 28.759 . A 37 ARG N N 15 119.801 . A 38 SER H H 1 8.018 . A 38 SER N N 15 120.380 . A 39 LEU H H 1 7.262 . A 39 LEU HA H 1 4.296 . A 39 LEU HBx H 1 1.761 . A 39 LEU HBy H 1 1.761 . A 39 LEU HDx% H 1 0.691 . A 39 LEU HDy% H 1 0.647 . A 39 LEU CA C 13 53.179 . A 39 LEU CB C 13 40.565 . A 39 LEU CDy C 13 24.716 . A 39 LEU CDx C 13 21.467 . A 39 LEU N N 15 119.826 . A 40 GLY H H 1 7.818 . A 40 GLY HAy H 1 4.168 . A 40 GLY HAx H 1 3.739 . A 40 GLY CA C 13 44.327 . A 40 GLY N N 15 108.018 . A 41 GLN H H 1 7.833 . A 41 GLN HA H 1 4.364 . A 41 GLN HBx H 1 2.088 . A 41 GLN CA C 13 52.574 . A 41 GLN CB C 13 28.912 . A 41 GLN N N 15 118.705 . A 42 ASN H H 1 8.623 . A 42 ASN HA H 1 5.147 . A 42 ASN HBy H 1 2.705 . A 42 ASN HBx H 1 2.435 . A 42 ASN CA C 13 50.100 . A 42 ASN CB C 13 38.052 . A 42 ASN N N 15 117.074 . A 43 PRO CA C 13 61.076 . A 44 THR H H 1 8.719 . A 44 THR HA H 1 4.383 . A 44 THR HB H 1 4.663 . A 44 THR HG2% H 1 1.278 . A 44 THR CA C 13 59.255 . A 44 THR CB C 13 69.988 . A 44 THR CG2 C 13 20.663 . A 44 THR N N 15 113.539 . A 45 GLU H H 1 8.712 . A 45 GLU HA H 1 3.938 . A 45 GLU HBx H 1 1.989 . A 45 GLU HBy H 1 1.989 . A 45 GLU HGx H 1 2.251 . A 45 GLU HGy H 1 2.251 . A 45 GLU CA C 13 58.661 . A 45 GLU CB C 13 27.723 . A 45 GLU CG C 13 35.057 . A 45 GLU N N 15 121.579 . A 46 ALA H H 1 8.174 . A 46 ALA HA H 1 4.030 . A 46 ALA HB% H 1 1.317 . A 46 ALA CA C 13 53.767 . A 46 ALA CB C 13 16.928 . A 46 ALA N N 15 121.488 . A 47 GLU H H 1 7.459 . A 47 GLU HA H 1 3.963 . A 47 GLU HBx H 1 1.849 . A 47 GLU HBy H 1 1.849 . A 47 GLU CA C 13 57.737 . A 47 GLU CB C 13 29.003 . A 47 GLU N N 15 117.594 . A 48 LEU H H 1 8.077 . A 48 LEU HA H 1 3.975 . A 48 LEU HBy H 1 2.050 . A 48 LEU HBx H 1 1.152 . A 48 LEU HDx% H 1 0.787 . A 48 LEU HDy% H 1 0.743 . A 48 LEU CA C 13 56.993 . A 48 LEU CB C 13 41.304 . A 48 LEU CDy C 13 24.653 . A 48 LEU CDx C 13 22.097 . A 48 LEU N N 15 120.575 . A 49 GLN H H 1 8.200 . A 49 GLN HA H 1 3.724 . A 49 GLN HBy H 1 2.134 . A 49 GLN HBx H 1 2.073 . A 49 GLN HGx H 1 2.380 . A 49 GLN HGy H 1 2.380 . A 49 GLN CA C 13 57.325 . A 49 GLN CB C 13 26.874 . A 49 GLN CG C 13 32.929 . A 49 GLN N N 15 119.173 . A 50 ASP H H 1 8.056 . A 50 ASP HA H 1 4.333 . A 50 ASP HBx H 1 2.702 . A 50 ASP CA C 13 56.378 . A 50 ASP CB C 13 38.982 . A 50 ASP N N 15 120.574 . A 51 MET H H 1 7.721 . A 51 MET HA H 1 3.944 . A 51 MET HBx H 1 2.761 . A 51 MET HBy H 1 2.761 . A 51 MET CA C 13 58.318 . A 51 MET CB C 13 32.238 . A 51 MET N N 15 119.855 . A 52 ILE H H 1 7.679 . A 52 ILE HA H 1 3.480 . A 52 ILE HB H 1 1.948 . A 52 ILE HD1% H 1 0.595 . A 52 ILE HG1y H 1 1.395 . A 52 ILE HG1x H 1 1.288 . A 52 ILE HG2% H 1 0.648 . A 52 ILE CA C 13 62.519 . A 52 ILE CB C 13 35.284 . A 52 ILE CD1 C 13 10.082 . A 52 ILE CG1 C 13 27.503 . A 52 ILE CG2 C 13 14.978 . A 52 ILE N N 15 118.493 . A 53 ASN H H 1 8.598 . A 53 ASN HA H 1 4.333 . A 53 ASN HBy H 1 2.933 . A 53 ASN HBx H 1 2.797 . A 53 ASN CA C 13 54.698 . A 53 ASN CB C 13 36.705 . A 53 ASN N N 15 118.554 . A 54 GLU H H 1 7.370 . A 54 GLU HA H 1 3.953 . A 54 GLU HBy H 1 2.050 . A 54 GLU HBx H 1 1.966 . A 54 GLU HGx H 1 2.252 . A 54 GLU HGy H 1 2.252 . A 54 GLU CA C 13 57.531 . A 54 GLU CB C 13 28.901 . A 54 GLU N N 15 117.090 . A 55 VAL H H 1 7.095 . A 55 VAL HA H 1 4.136 . A 55 VAL HB H 1 2.050 . A 55 VAL HGx% H 1 0.897 . A 55 VAL HGy% H 1 0.900 . A 55 VAL CA C 13 59.921 . A 55 VAL CB C 13 31.804 . A 55 VAL CGy C 13 21.758 . A 55 VAL CGx C 13 19.843 . A 55 VAL N N 15 113.223 . A 56 ASP H H 1 7.648 . A 56 ASP HA H 1 4.368 . A 56 ASP HBx H 1 2.650 . A 56 ASP CA C 13 52.525 . A 56 ASP CB C 13 39.222 . A 56 ASP N N 15 121.574 . A 57 ALA H H 1 8.002 . A 57 ALA HA H 1 4.152 . A 57 ALA HB% H 1 1.479 . A 57 ALA CA C 13 53.123 . A 57 ALA CB C 13 18.561 . A 57 ALA N N 15 132.024 . A 58 ASP H H 1 8.168 . A 58 ASP HA H 1 4.490 . A 58 ASP HBy H 1 2.979 . A 58 ASP HBx H 1 2.631 . A 58 ASP CA C 13 51.535 . A 58 ASP CB C 13 38.680 . A 58 ASP N N 15 114.562 . A 59 GLY H H 1 7.520 . A 59 GLY HAx H 1 3.764 . A 59 GLY HAy H 1 3.764 . A 59 GLY CA C 13 46.023 . A 59 GLY N N 15 109.129 . A 61 GLY H H 1 10.484 . A 61 GLY HAy H 1 4.212 . A 61 GLY HAx H 1 3.417 . A 61 GLY CA C 13 44.198 . A 61 GLY N N 15 113.999 . A 62 THR H H 1 7.564 . A 62 THR HA H 1 4.735 . A 62 THR HB H 1 3.936 . A 62 THR HG2% H 1 1.065 . A 62 THR CA C 13 58.099 . A 62 THR CB C 13 71.089 . A 62 THR CG2 C 13 21.191 . A 62 THR N N 15 109.102 . A 63 ILE H H 1 8.685 . A 63 ILE HA H 1 5.114 . A 63 ILE HB H 1 2.011 . A 63 ILE HD1% H 1 0.748 . A 63 ILE HG1x H 1 1.132 . A 63 ILE HG1y H 1 1.149 . A 63 ILE HG2% H 1 1.170 . A 63 ILE CA C 13 57.819 . A 63 ILE CB C 13 37.939 . A 63 ILE CD1 C 13 11.302 . A 63 ILE CG1 C 13 25.851 . A 63 ILE CG2 C 13 16.902 . A 63 ILE N N 15 124.383 . A 64 ASP H H 1 8.869 . A 64 ASP HA H 1 5.447 . A 64 ASP HBy H 1 3.071 . A 64 ASP HBx H 1 2.720 . A 64 ASP CA C 13 50.705 . A 64 ASP CB C 13 41.035 . A 64 ASP N N 15 129.029 . A 65 PHE H H 1 8.894 . A 65 PHE HA H 1 3.940 . A 65 PHE HBx H 1 3.696 . A 65 PHE HBy H 1 3.696 . A 65 PHE HDx H 1 6.701 . A 65 PHE HEy H 1 7.127 . A 65 PHE HEx H 1 6.669 . A 65 PHE HZ H 1 7.342 . A 65 PHE CA C 13 61.754 . A 65 PHE CB C 13 34.749 . A 65 PHE N N 15 119.411 . A 66 PRO HA H 1 3.811 . A 67 GLU H H 1 8.307 . A 67 GLU HA H 1 3.952 . A 67 GLU CA C 13 58.039 . A 67 GLU CB C 13 28.419 . A 67 GLU N N 15 118.845 . A 68 PHE H H 1 8.591 . A 68 PHE HA H 1 3.902 . A 68 PHE HBx H 1 3.079 . A 68 PHE HBy H 1 3.079 . A 68 PHE HDx H 1 6.967 . A 68 PHE HEx H 1 7.138 . A 68 PHE CA C 13 60.348 . A 68 PHE CB C 13 39.174 . A 68 PHE N N 15 124.517 . A 69 LEU H H 1 8.773 . A 69 LEU HA H 1 3.322 . A 69 LEU HBx H 1 1.160 . A 69 LEU HBy H 1 1.210 . A 69 LEU HDx% H 1 0.504 . A 69 LEU HDy% H 1 0.600 . A 69 LEU HG H 1 0.891 . A 69 LEU CA C 13 56.560 . A 69 LEU CB C 13 40.105 . A 69 LEU CDy C 13 23.975 . A 69 LEU CDx C 13 23.003 . A 69 LEU N N 15 120.473 . A 70 THR H H 1 7.926 . A 70 THR HA H 1 3.691 . A 70 THR HB H 1 4.106 . A 70 THR HG2% H 1 1.141 . A 70 THR CA C 13 65.391 . A 70 THR CB C 13 67.424 . A 70 THR CG2 C 13 20.448 . A 70 THR N N 15 116.427 . A 71 MET H H 1 7.466 . A 71 MET HA H 1 3.939 . A 71 MET HBx H 1 2.064 . A 71 MET HBy H 1 2.064 . A 71 MET CA C 13 54.255 . A 71 MET CB C 13 30.323 . A 71 MET N N 15 121.718 . A 72 MET H H 1 7.999 . A 72 MET HA H 1 3.932 . A 72 MET CA C 13 55.020 . A 72 MET CB C 13 29.514 . A 72 MET N N 15 118.854 . A 73 ALA H H 1 8.207 . A 73 ALA HA H 1 3.956 . A 73 ALA HB% H 1 1.324 . A 73 ALA CA C 13 53.740 . A 73 ALA CB C 13 16.892 . A 73 ALA N N 15 121.369 . A 74 ARG H H 1 7.851 . A 74 ARG CA C 13 58.322 . A 74 ARG CB C 13 27.681 . A 74 ARG N N 15 121.324 . A 76 MET H H 1 8.021 . A 76 MET HA H 1 4.151 . A 76 MET HBx H 1 2.051 . A 76 MET HBy H 1 2.051 . A 76 MET CA C 13 56.326 . A 76 MET CB C 13 31.648 . A 76 MET N N 15 116.439 . A 77 LYS H H 1 7.305 . A 77 LYS HA H 1 4.296 . A 77 LYS HBy H 1 1.878 . A 77 LYS HBx H 1 1.747 . A 77 LYS HGx H 1 1.451 . A 77 LYS HGy H 1 1.451 . A 77 LYS CA C 13 55.117 . A 77 LYS CB C 13 31.978 . A 77 LYS CD C 13 28.041 . A 77 LYS CG C 13 23.440 . A 77 LYS N N 15 117.514 . A 78 ASP H H 1 7.669 . A 78 ASP HA H 1 4.623 . A 78 ASP HBx H 1 2.768 . A 78 ASP HBy H 1 2.768 . A 78 ASP CA C 13 53.281 . A 78 ASP CB C 13 40.092 . A 78 ASP N N 15 121.067 . A 79 THR H H 1 8.071 . A 79 THR HA H 1 4.226 . A 79 THR HB H 1 4.282 . A 79 THR HG2% H 1 1.180 . A 79 THR CA C 13 61.323 . A 79 THR CB C 13 67.961 . A 79 THR CG2 C 13 20.333 . A 79 THR N N 15 115.653 . A 80 ASP H H 1 8.402 . A 80 ASP HA H 1 4.721 . A 80 ASP HBy H 1 2.700 . A 80 ASP HBx H 1 2.610 . A 80 ASP CA C 13 53.394 . A 80 ASP CB C 13 39.831 . A 80 ASP N N 15 123.261 . A 81 SER H H 1 8.019 . A 81 SER HA H 1 4.620 . A 81 SER HBx H 1 3.917 . A 81 SER HBy H 1 3.917 . A 81 SER CA C 13 56.761 . A 81 SER CB C 13 62.573 . A 81 SER N N 15 116.294 . A 82 GLU H H 1 8.369 . A 82 GLU HA H 1 4.003 . A 82 GLU HBx H 1 2.052 . A 82 GLU HBy H 1 2.052 . A 82 GLU HGx H 1 2.242 . A 82 GLU HGy H 1 2.242 . A 82 GLU CA C 13 58.084 . A 82 GLU CB C 13 28.326 . A 82 GLU N N 15 123.989 . A 85 ILE H H 1 7.935 . A 85 ILE HA H 1 3.793 . A 85 ILE HB H 1 2.152 . A 85 ILE HD1% H 1 0.771 . A 85 ILE HG1x H 1 1.785 . A 85 ILE HG2% H 1 1.104 . A 85 ILE CA C 13 64.138 . A 85 ILE CB C 13 36.047 . A 85 ILE CD1 C 13 11.948 . A 85 ILE CG1 C 13 28.163 . A 85 ILE CG2 C 13 17.766 . A 85 ILE N N 15 120.942 . A 86 ARG H H 1 8.450 . A 86 ARG HA H 1 4.064 . A 86 ARG HBx H 1 1.991 . A 86 ARG HBy H 1 1.991 . A 86 ARG CA C 13 58.835 . A 86 ARG CB C 13 28.412 . A 86 ARG N N 15 121.754 . A 87 GLU H H 1 7.891 . A 87 GLU HA H 1 4.014 . A 87 GLU HBx H 1 2.030 . A 87 GLU HBy H 1 2.030 . A 87 GLU HGx H 1 2.261 . A 87 GLU HGy H 1 2.261 . A 87 GLU CA C 13 57.724 . A 87 GLU CB C 13 27.979 . A 87 GLU N N 15 119.464 . A 88 ALA H H 1 8.068 . A 88 ALA HA H 1 4.027 . A 88 ALA HB% H 1 1.723 . A 88 ALA CA C 13 55.363 . A 88 ALA CB C 13 16.766 . A 88 ALA N N 15 121.907 . A 89 PHE H H 1 8.436 . A 89 PHE HA H 1 3.154 . A 89 PHE HBx H 1 2.821 . A 89 PHE HBy H 1 2.821 . A 89 PHE HDx H 1 6.492 . A 89 PHE HDy H 1 6.492 . A 89 PHE HEx H 1 6.940 . A 89 PHE HEy H 1 6.965 . A 89 PHE HZ H 1 6.924 . A 89 PHE CA C 13 61.052 . A 89 PHE CB C 13 37.982 . A 89 PHE N N 15 118.964 . A 90 ARG H H 1 7.820 . A 90 ARG HA H 1 3.780 . A 90 ARG HBx H 1 1.899 . A 90 ARG HBy H 1 1.899 . A 90 ARG HDx H 1 3.161 . A 90 ARG HDy H 1 3.161 . A 90 ARG CA C 13 57.765 . A 90 ARG CB C 13 29.084 . A 90 ARG CD C 13 42.356 . A 90 ARG CG C 13 26.683 . A 90 ARG N N 15 116.984 . A 91 VAL H H 1 7.381 . A 91 VAL HA H 1 3.425 . A 91 VAL HB H 1 2.147 . A 91 VAL HGx% H 1 0.940 . A 91 VAL HGy% H 1 0.551 . A 91 VAL CA C 13 64.445 . A 91 VAL CB C 13 29.837 . A 91 VAL CGy C 13 21.555 . A 91 VAL CGx C 13 20.277 . A 91 VAL N N 15 118.507 . A 92 PHE H H 1 6.949 . A 92 PHE HA H 1 4.111 . A 92 PHE HBx H 1 2.605 . A 92 PHE HBy H 1 2.605 . A 92 PHE HDx H 1 7.174 . A 92 PHE CA C 13 58.343 . A 92 PHE CB C 13 39.886 . A 92 PHE N N 15 115.584 . A 93 ASP H H 1 7.765 . A 93 ASP HA H 1 4.545 . A 93 ASP HBy H 1 2.201 . A 93 ASP HBx H 1 1.309 . A 93 ASP CA C 13 51.051 . A 93 ASP CB C 13 37.513 . A 93 ASP N N 15 117.597 . A 94 LYS H H 1 7.647 . A 94 LYS HA H 1 3.855 . A 94 LYS HBx H 1 1.763 . A 94 LYS HBy H 1 1.763 . A 94 LYS HDx H 1 1.525 . A 94 LYS HDy H 1 1.525 . A 94 LYS HEx H 1 2.721 . A 94 LYS HEy H 1 2.721 . A 94 LYS HGx H 1 1.408 . A 94 LYS HGy H 1 1.408 . A 94 LYS CA C 13 57.550 . A 94 LYS CB C 13 31.144 . A 94 LYS CD C 13 26.874 . A 94 LYS CE C 13 40.436 . A 94 LYS CG C 13 22.643 . A 94 LYS N N 15 126.301 . A 95 ASP H H 1 8.131 . A 95 ASP HA H 1 4.498 . A 95 ASP HBy H 1 3.004 . A 95 ASP HBx H 1 2.606 . A 95 ASP CA C 13 51.757 . A 95 ASP CB C 13 38.367 . A 95 ASP N N 15 114.851 . A 96 GLY H H 1 7.709 . A 96 GLY HAx H 1 3.799 . A 96 GLY HAy H 1 3.799 . A 96 GLY CA C 13 45.917 . A 96 GLY N N 15 109.952 . A 97 ASN H H 1 8.298 . A 97 ASN HA H 1 4.586 . A 97 ASN HBy H 1 3.362 . A 97 ASN HBx H 1 2.599 . A 97 ASN CA C 13 51.469 . A 97 ASN CB C 13 36.931 . A 97 ASN N N 15 120.276 . A 98 GLY H H 1 10.555 . A 98 GLY HAy H 1 4.008 . A 98 GLY HAx H 1 3.401 . A 98 GLY CA C 13 43.702 . A 98 GLY N N 15 113.329 . A 99 TYR H H 1 7.590 . A 99 TYR HA H 1 4.966 . A 99 TYR HBx H 1 2.471 . A 99 TYR HBy H 1 2.471 . A 99 TYR HDx H 1 6.703 . A 99 TYR CA C 13 54.926 . A 99 TYR CB C 13 41.646 . A 99 TYR N N 15 116.943 . A 100 ILE H H 1 10.058 . A 100 ILE HA H 1 4.598 . A 100 ILE HB H 1 1.699 . A 100 ILE HD1% H 1 0.234 . A 100 ILE HG2% H 1 0.817 . A 100 ILE CA C 13 59.934 . A 100 ILE CB C 13 37.847 . A 100 ILE CD1 C 13 14.367 . A 100 ILE CG1 C 13 25.589 . A 100 ILE CG2 C 13 15.970 . A 100 ILE N N 15 128.016 . A 101 SER H H 1 8.883 . A 101 SER HA H 1 4.804 . A 101 SER HBy H 1 4.314 . A 101 SER HBx H 1 3.884 . A 101 SER CA C 13 54.307 . A 101 SER CB C 13 65.736 . A 101 SER N N 15 124.475 . A 102 ALA H H 1 9.209 . A 102 ALA HA H 1 3.846 . A 102 ALA HB% H 1 1.432 . A 102 ALA CA C 13 54.576 . A 102 ALA CB C 13 16.744 . A 102 ALA N N 15 123.687 . A 103 ALA H H 1 8.170 . A 103 ALA HA H 1 3.993 . A 103 ALA HB% H 1 1.380 . A 103 ALA CA C 13 54.091 . A 103 ALA CB C 13 17.171 . A 103 ALA N N 15 119.330 . A 104 GLU H H 1 7.606 . A 104 GLU HA H 1 3.941 . A 104 GLU HBy H 1 2.251 . A 104 GLU HBx H 1 1.799 . A 104 GLU CA C 13 57.713 . A 104 GLU CB C 13 28.580 . A 104 GLU N N 15 119.173 . A 105 LEU H H 1 8.365 . A 105 LEU HA H 1 4.167 . A 105 LEU HBy H 1 1.958 . A 105 LEU HBx H 1 1.384 . A 105 LEU HDx% H 1 0.937 . A 105 LEU HDy% H 1 0.935 . A 105 LEU CA C 13 57.570 . A 105 LEU CB C 13 40.451 . A 105 LEU CDy C 13 25.070 . A 105 LEU CDx C 13 23.329 . A 105 LEU N N 15 121.732 . A 106 ARG H H 1 8.765 . A 106 ARG HA H 1 3.725 . A 106 ARG HBx H 1 1.942 . A 106 ARG HBy H 1 1.942 . A 106 ARG HDx H 1 3.139 . A 106 ARG HDy H 1 3.139 . A 106 ARG HGx H 1 1.603 . A 106 ARG HGy H 1 1.603 . A 106 ARG CA C 13 58.768 . A 106 ARG CB C 13 29.133 . A 106 ARG CD C 13 42.453 . A 106 ARG CG C 13 26.671 . A 106 ARG N N 15 119.023 . A 107 HIS H H 1 8.103 . A 107 HIS HA H 1 4.253 . A 107 HIS HBy H 1 3.345 . A 107 HIS HBx H 1 3.219 . A 107 HIS CA C 13 58.865 . A 107 HIS CB C 13 29.221 . A 107 HIS N N 15 120.881 . A 108 VAL H H 1 7.842 . A 108 VAL HA H 1 3.467 . A 108 VAL HB H 1 2.004 . A 108 VAL HGx% H 1 0.898 . A 108 VAL HGy% H 1 0.460 . A 108 VAL CA C 13 65.633 . A 108 VAL CB C 13 30.565 . A 108 VAL CGy C 13 22.110 . A 108 VAL CGx C 13 19.431 . A 108 VAL N N 15 119.559 . A 109 MET H H 1 8.168 . A 109 MET HA H 1 4.237 . A 109 MET HBx H 1 1.950 . A 109 MET HBy H 1 2.141 . A 109 MET HGx H 1 2.557 . A 109 MET HGy H 1 2.722 . A 109 MET CA C 13 56.195 . A 109 MET CB C 13 29.011 . A 109 MET N N 15 116.039 . A 110 THR H H 1 8.490 . A 110 THR HA H 1 3.961 . A 110 THR HB H 1 4.233 . A 110 THR HG2% H 1 1.162 . A 110 THR CA C 13 65.350 . A 110 THR CB C 13 67.303 . A 110 THR CG2 C 13 20.236 . A 110 THR N N 15 117.108 . A 111 ASN H H 1 7.868 . A 111 ASN HA H 1 4.328 . A 111 ASN HBy H 1 2.797 . A 111 ASN HBx H 1 2.661 . A 111 ASN CA C 13 54.755 . A 111 ASN CB C 13 36.483 . A 111 ASN N N 15 124.075 . A 112 LEU H H 1 7.710 . A 112 LEU HA H 1 4.169 . A 112 LEU HBy H 1 1.882 . A 112 LEU HBx H 1 1.564 . A 112 LEU HDx% H 1 0.738 . A 112 LEU HDy% H 1 0.679 . A 112 LEU HG H 1 1.736 . A 112 LEU CA C 13 54.275 . A 112 LEU CB C 13 41.298 . A 112 LEU CDy C 13 24.850 . A 112 LEU CDx C 13 22.095 . A 112 LEU N N 15 118.868 . A 113 GLY H H 1 7.672 . A 113 GLY HAy H 1 4.191 . A 113 GLY HAx H 1 3.626 . A 113 GLY CA C 13 43.948 . A 113 GLY N N 15 106.547 . A 114 GLU H H 1 7.921 . A 114 GLU HA H 1 4.354 . A 114 GLU HBx H 1 1.587 . A 114 GLU HBy H 1 1.587 . A 114 GLU HGx H 1 1.950 . A 114 GLU HGy H 1 1.950 . A 114 GLU CA C 13 53.374 . A 114 GLU CB C 13 29.354 . A 114 GLU CG C 13 33.939 . A 114 GLU N N 15 121.825 . A 115 LYS H H 1 8.496 . A 115 LYS HA H 1 4.318 . A 115 LYS HBy H 1 1.653 . A 115 LYS HBx H 1 1.596 . A 115 LYS HGy H 1 1.291 . A 115 LYS HGx H 1 1.241 . A 115 LYS CA C 13 54.323 . A 115 LYS CB C 13 30.753 . A 115 LYS CD C 13 27.806 . A 115 LYS CG C 13 23.254 . A 115 LYS N N 15 125.871 . A 116 LEU H H 1 7.998 . A 116 LEU HA H 1 4.711 . A 116 LEU HBy H 1 1.518 . A 116 LEU HBx H 1 1.421 . A 116 LEU HDx% H 1 0.728 . A 116 LEU HDy% H 1 0.745 . A 116 LEU HG H 1 1.922 . A 116 LEU CA C 13 52.673 . A 116 LEU CB C 13 43.459 . A 116 LEU CDy C 13 25.216 . A 116 LEU CDx C 13 22.537 . A 116 LEU N N 15 125.547 . A 117 THR H H 1 9.239 . A 117 THR HA H 1 4.387 . A 117 THR HB H 1 4.683 . A 117 THR HG2% H 1 1.258 . A 117 THR CA C 13 59.332 . A 117 THR CB C 13 69.896 . A 117 THR CG2 C 13 20.492 . A 117 THR N N 15 115.407 . A 118 ASP H H 1 8.812 . A 118 ASP HA H 1 4.137 . A 118 ASP HBy H 1 2.673 . A 118 ASP HBx H 1 2.518 . A 118 ASP CA C 13 56.630 . A 118 ASP CB C 13 38.435 . A 118 ASP N N 15 121.783 . A 119 GLU H H 1 8.532 . A 119 GLU HA H 1 4.024 . A 119 GLU CA C 13 58.664 . A 119 GLU CB C 13 27.837 . A 119 GLU N N 15 119.752 . A 121 VAL H H 1 7.975 . A 121 VAL HA H 1 3.531 . A 121 VAL HB H 1 2.164 . A 121 VAL HGx% H 1 0.909 . A 121 VAL HGy% H 1 0.965 . A 121 VAL CA C 13 65.640 . A 121 VAL CB C 13 30.259 . A 121 VAL CGy C 13 22.218 . A 121 VAL CGx C 13 20.986 . A 121 VAL N N 15 121.126 . A 122 ASP H H 1 8.000 . A 122 ASP HA H 1 4.254 . A 122 ASP HBy H 1 2.674 . A 122 ASP HBx H 1 2.540 . A 122 ASP CA C 13 56.302 . A 122 ASP CB C 13 39.291 . A 122 ASP N N 15 120.159 . A 123 GLU H H 1 7.954 . A 123 GLU HA H 1 3.928 . A 123 GLU HBx H 1 2.010 . A 123 GLU HBy H 1 2.010 . A 123 GLU HGx H 1 2.234 . A 123 GLU HGy H 1 2.234 . A 123 GLU CA C 13 57.960 . A 123 GLU CB C 13 28.278 . A 123 GLU N N 15 120.079 . A 124 MET H H 1 7.567 . A 124 MET HA H 1 3.954 . A 124 MET HBy H 1 2.747 . A 124 MET HBx H 1 2.727 . A 124 MET CA C 13 58.289 . A 124 MET CB C 13 32.175 . A 124 MET N N 15 119.711 . A 125 ILE H H 1 7.711 . A 125 ILE HA H 1 3.423 . A 125 ILE HB H 1 2.090 . A 125 ILE HD1% H 1 0.604 . A 125 ILE HG1y H 1 1.386 . A 125 ILE HG1x H 1 1.345 . A 125 ILE HG2% H 1 0.630 . A 125 ILE CA C 13 62.060 . A 125 ILE CB C 13 35.004 . A 125 ILE CD1 C 13 8.905 . A 125 ILE CG1 C 13 26.609 . A 125 ILE CG2 C 13 14.987 . A 125 ILE N N 15 118.225 . A 126 ARG H H 1 8.245 . A 126 ARG HA H 1 3.936 . A 126 ARG HBx H 1 1.833 . A 126 ARG HBy H 1 1.833 . A 126 ARG HDx H 1 3.135 . A 126 ARG HDy H 1 3.135 . A 126 ARG CA C 13 58.421 . A 126 ARG CB C 13 29.011 . A 126 ARG CD C 13 42.243 . A 126 ARG CG C 13 26.496 . A 126 ARG N N 15 118.849 . A 127 GLU H H 1 7.615 . A 127 GLU HA H 1 3.915 . A 127 GLU HBx H 1 1.974 . A 127 GLU HBy H 1 1.974 . A 127 GLU HGx H 1 2.241 . A 127 GLU HGy H 1 2.241 . A 127 GLU CA C 13 57.405 . A 127 GLU CB C 13 28.437 . A 127 GLU N N 15 116.866 . A 128 ALA H H 1 7.090 . A 128 ALA HA H 1 4.431 . A 128 ALA HB% H 1 1.321 . A 128 ALA CA C 13 50.569 . A 128 ALA CB C 13 20.234 . A 128 ALA N N 15 118.800 . A 129 ASP H H 1 7.788 . A 129 ASP HA H 1 4.394 . A 129 ASP HBx H 1 2.371 . A 129 ASP HBy H 1 2.744 . A 129 ASP CA C 13 52.723 . A 129 ASP CB C 13 39.313 . A 129 ASP N N 15 118.840 . A 130 ILE H H 1 8.098 . A 130 ILE HA H 1 3.799 . A 130 ILE HB H 1 1.906 . A 130 ILE HD1% H 1 0.823 . A 130 ILE HG1y H 1 1.646 . A 130 ILE HG1x H 1 1.207 . A 130 ILE HG2% H 1 0.861 . A 130 ILE CA C 13 62.440 . A 130 ILE CB C 13 37.274 . A 130 ILE CD1 C 13 11.173 . A 130 ILE CG1 C 13 26.771 . A 130 ILE CG2 C 13 16.073 . A 130 ILE N N 15 128.438 . A 131 ASP H H 1 8.307 . A 131 ASP HA H 1 4.404 . A 131 ASP HBx H 1 2.982 . A 131 ASP CA C 13 52.803 . A 131 ASP CB C 13 38.835 . A 131 ASP N N 15 117.046 . A 132 GLY H H 1 7.547 . A 132 GLY CA C 13 46.242 . A 132 GLY N N 15 109.096 . A 133 ASP H H 1 8.278 . A 133 ASP HA H 1 4.369 . A 133 ASP HBy H 1 2.873 . A 133 ASP HBx H 1 2.404 . A 133 ASP CA C 13 52.417 . A 133 ASP CB C 13 39.007 . A 133 ASP N N 15 121.382 . A 134 GLY H H 1 10.224 . A 134 GLY HAy H 1 3.974 . A 134 GLY HAx H 1 3.350 . A 134 GLY CA C 13 44.470 . A 134 GLY N N 15 113.335 . A 135 GLN H H 1 7.892 . A 135 GLN HA H 1 4.831 . A 135 GLN HBy H 1 1.919 . A 135 GLN HBx H 1 1.634 . A 135 GLN CA C 13 52.044 . A 135 GLN CB C 13 31.473 . A 135 GLN N N 15 116.165 . A 136 VAL H H 1 9.009 . A 136 VAL HA H 1 5.139 . A 136 VAL HB H 1 2.141 . A 136 VAL HGx% H 1 0.835 . A 136 VAL HGy% H 1 1.186 . A 136 VAL CA C 13 60.381 . A 136 VAL CB C 13 32.594 . A 136 VAL CGy C 13 21.356 . A 136 VAL CGx C 13 20.136 . A 136 VAL N N 15 126.049 . A 137 ASN H H 1 9.451 . A 137 ASN HA H 1 5.266 . A 137 ASN HBx H 1 2.848 . A 137 ASN HBy H 1 3.103 . A 137 ASN CA C 13 49.758 . A 137 ASN CB C 13 37.297 . A 137 ASN N N 15 129.771 . A 138 TYR H H 1 8.259 . A 138 TYR HA H 1 3.282 . A 138 TYR HBx H 1 2.309 . A 138 TYR HDy H 1 6.253 . A 138 TYR HDx H 1 6.243 . A 138 TYR HEx H 1 6.450 . A 138 TYR CA C 13 61.235 . A 138 TYR CB C 13 36.677 . A 138 TYR N N 15 119.676 . A 139 GLU H H 1 8.021 . A 139 GLU HA H 1 3.605 . A 139 GLU HBx H 1 1.975 . A 139 GLU HBy H 1 2.090 . A 139 GLU HGy H 1 2.274 . A 139 GLU HGx H 1 2.229 . A 139 GLU CA C 13 59.019 . A 139 GLU CB C 13 27.603 . A 139 GLU CG C 13 35.876 . A 139 GLU N N 15 119.245 . A 140 GLU H H 1 8.674 . A 140 GLU HA H 1 3.910 . A 140 GLU HBx H 1 2.253 . A 140 GLU HBy H 1 2.504 . A 140 GLU CA C 13 57.585 . A 140 GLU CB C 13 27.971 . A 140 GLU N N 15 120.560 . A 141 PHE H H 1 8.617 . A 141 PHE HA H 1 3.893 . A 141 PHE HBx H 1 3.099 . A 141 PHE HBy H 1 3.099 . A 141 PHE HDx H 1 6.910 . A 141 PHE HEx H 1 7.136 . A 141 PHE HEy H 1 7.141 . A 141 PHE HZ H 1 6.940 . A 141 PHE CA C 13 60.223 . A 141 PHE CB C 13 38.917 . A 141 PHE N N 15 125.080 . A 142 VAL H H 1 8.486 . A 142 VAL HA H 1 3.125 . A 142 VAL HB H 1 1.766 . A 142 VAL HGx% H 1 0.451 . A 142 VAL HGy% H 1 0.684 . A 142 VAL CA C 13 65.708 . A 142 VAL CB C 13 30.202 . A 142 VAL CGy C 13 21.786 . A 142 VAL CGx C 13 20.167 . A 142 VAL N N 15 119.013 . A 143 GLN H H 1 7.802 . A 143 GLN HA H 1 3.842 . A 143 GLN HBx H 1 2.053 . A 143 GLN HBy H 1 2.053 . A 143 GLN HE2y H 1 7.371 . A 143 GLN HE2x H 1 6.750 . A 143 GLN HGx H 1 2.337 . A 143 GLN HGy H 1 2.337 . A 143 GLN CA C 13 57.646 . A 143 GLN CB C 13 26.958 . A 143 GLN CG C 13 32.865 . A 143 GLN N N 15 119.955 . A 144 MET H H 1 7.624 . A 144 MET HA H 1 4.139 . A 144 MET HBx H 1 2.415 . A 144 MET HBy H 1 2.415 . A 144 MET CA C 13 57.483 . A 144 MET CB C 13 30.449 . A 144 MET N N 15 118.713 . A 145 MET H H 1 7.492 . A 145 MET HA H 1 4.198 . A 145 MET HBx H 1 1.841 . A 145 MET HBy H 1 2.014 . A 145 MET CA C 13 53.719 . A 145 MET N N 15 115.179 . A 146 THR H H 1 7.403 . A 146 THR HA H 1 4.287 . A 146 THR HB H 1 4.182 . A 146 THR HG2% H 1 1.108 . A 146 THR CA C 13 60.602 . A 146 THR CB C 13 69.271 . A 146 THR CG2 C 13 19.979 . A 146 THR N N 15 109.759 . A 147 ALA H H 1 7.825 . A 147 ALA HA H 1 4.236 . A 147 ALA HB% H 1 1.335 . A 147 ALA CA C 13 51.536 . A 147 ALA CB C 13 17.859 . A 147 ALA N N 15 127.461 . A 148 LYS H H 1 7.802 . A 148 LYS HA H 1 4.063 . A 148 LYS HBy H 1 1.750 . A 148 LYS HBx H 1 1.623 . A 148 LYS HDx H 1 1.591 . A 148 LYS HDy H 1 1.591 . A 148 LYS HGx H 1 1.348 . A 148 LYS HGy H 1 1.348 . A 148 LYS CA C 13 56.321 . A 148 LYS CB C 13 32.386 . A 148 LYS CD C 13 27.777 . A 148 LYS CG C 13 23.474 . A 148 LYS N N 15 126.662 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 142 VAL HGy% A 85 ILE HG2% 1.0 1.8 5.5 2 2 A 85 ILE HG2% A 142 VAL HA 1.0 1.8 6.0 3 3 A 142 VAL HGy% A 141 PHE H 1.0 1.8 7.0 4 4 A 142 VAL HGx% A 146 THR HG2% 1.0 2.3 6.0 5 5 A 142 VAL HA A 85 ILE HD1% 1.0 1.8 6.0 6 6 A 36 MET HA A 39 LEU HDx% 1.0 1.8 6.0 7 7 A 39 LEU HDx% A 39 LEU HA 1.0 1.8 6.0 8 8 A 39 LEU HA A 39 LEU HDy% 1.0 1.8 4.5 9 9 A 36 MET HA A 39 LEU HBx 1.0 1.8 4.5 10 9 A 36 MET HA A 39 LEU HBy 1.0 1.8 4.5 11 10 A 91 VAL HGx% A 92 PHE HA 1.0 1.8 5.0 12 11 A 39 LEU HA A 91 VAL HGx% 1.0 1.8 6.0 13 12 A 91 VAL HGy% A 88 ALA HA 1.0 1.8 4.5 14 13 A 18 LEU HA A 18 LEU HDx% 1.0 1.8 4.5 15 14 A 18 LEU HA A 18 LEU HDy% 1.0 1.8 6.0 16 15 A 18 LEU HDx% A 18 LEU H 1.0 1.8 6.0 17 16 A 18 LEU HDy% A 18 LEU H 1.0 1.8 6.0 18 17 A 18 LEU HDx% A 19 PHE H 1.0 1.8 6.0 19 18 A 18 LEU HDy% A 19 PHE H 1.0 1.8 6.0 20 19 A 15 ALA HA A 18 LEU HBy 1.0 2.3 4.5 21 19 A 15 ALA HA A 18 LEU HBx 1.0 2.3 4.5 22 20 A 32 LEU HA A 19 PHE HDx 1.0 1.8 4.0 23 21 A 16 PHE HA A 19 PHE HDy 1.0 1.8 4.0 24 22 A 92 PHE HA A 108 VAL HGy% 1.0 1.8 5.0 25 23 A 108 VAL HGy% A 92 PHE H 1.0 1.8 6.5 26 24 A 108 VAL HGx% A 112 LEU HBy 1.0 1.8 6.5 27 24 A 108 VAL HGx% A 112 LEU HBx 1.0 1.8 6.5 28 25 A 92 PHE HA A 108 VAL HGx% 1.0 1.8 6.0 29 26 A 108 VAL HGx% A 112 LEU HDy% 1.0 1.8 5.5 30 27 A 39 LEU HDy% A 108 VAL HGx% 1.0 1.8 6.0 31 28 A 19 PHE H A 35 VAL HGy% 1.0 1.8 5.5 32 29 A 35 VAL HGy% A 19 PHE HA 1.0 1.8 4.5 33 30 A 35 VAL HGx% A 39 LEU HBx 1.0 1.8 6.5 34 30 A 39 LEU HBy A 35 VAL HGx% 1.0 1.8 6.5 35 31 A 39 LEU HDx% A 35 VAL HGx% 1.0 1.8 6.5 36 32 A 35 VAL HGx% A 112 LEU HDx% 1.0 1.8 5.5 37 33 A 116 LEU HDx% A 109 MET H 1.0 2.8 7.0 38 34 A 116 LEU HDx% A 110 THR H 1.0 2.8 7.0 39 35 A 116 LEU HDx% A 110 THR HA 1.0 2.3 6.5 40 36 A 116 LEU HDx% A 109 MET HBx 1.0 2.3 5.5 41 36 A 116 LEU HDx% A 109 MET HBy 1.0 2.3 5.5 42 37 A 116 LEU HDx% A 109 MET HGx 1.0 2.3 5.5 43 37 A 116 LEU HDx% A 109 MET HGy 1.0 2.3 5.5 44 38 A 116 LEU HDx% A 117 THR H 1.0 2.8 7.0 45 39 A 116 LEU HDx% A 116 LEU H 1.0 2.3 5.0 46 40 A 116 LEU HDx% A 106 ARG HA 1.0 2.8 7.0 47 41 A 116 LEU HDx% A 121 VAL HGy% 1.0 1.8 6.0 48 42 A 116 LEU HDx% A 121 VAL HA 1.0 2.3 6.5 49 43 A 117 THR H A 116 LEU HDy% 1.0 1.8 5.5 50 44 A 116 LEU HDy% A 116 LEU HA 1.0 1.8 4.5 51 45 A 92 PHE HA A 100 ILE HD1% 1.0 1.8 6.5 52 46 A 91 VAL HGx% A 92 PHE HA 1.0 1.8 6.0 53 47 A 91 VAL HGx% A 92 PHE H 1.0 1.8 6.0 54 48 A 91 VAL HGy% A 92 PHE H 1.0 1.8 6.0 55 49 A 102 ALA H A 135 GLN HBy 1.0 1.8 6.0 56 49 A 102 ALA H A 135 GLN HBx 1.0 1.8 6.0 57 50 A 18 LEU HDx% A 114 GLU H 1.0 2.3 6.5 58 51 A 18 LEU HDx% A 113 GLY H 1.0 2.3 6.5 59 52 A 100 ILE HB A 136 VAL HGx% 1.0 1.8 6.5 60 53 A 100 ILE HB A 136 VAL HGy% 1.0 1.8 6.5 61 54 A 140 GLU H A 130 ILE HD1% 1.0 1.8 6.0 62 55 A 130 ILE HD1% A 143 GLN H 1.0 1.8 6.0 63 56 A 130 ILE HD1% A 143 GLN HGy 1.0 1.8 5.0 64 57 A 130 ILE HD1% A 143 GLN HBx 1.0 1.8 5.0 65 57 A 130 ILE HD1% A 143 GLN HBy 1.0 1.8 5.0 66 58 A 102 ALA HA A 105 LEU HBy 1.0 1.8 5.0 67 59 A 100 ILE H A 135 GLN HA 1.0 1.8 6.0 68 60 A 136 VAL HGy% A 128 ALA HB% 1.0 1.8 5.5 69 61 A 4 LEU HDy% A 12 PHE HDy 1.0 1.8 5.0 70 62 A 4 LEU HDx% A 12 PHE HEy 1.0 1.8 5.0 71 63 A 12 PHE HA A 12 PHE HDx 1.0 1.8 3.5 72 64 A 12 PHE HDx A 12 PHE H 1.0 1.8 5.0 73 65 A 12 PHE H A 69 LEU HDy% 1.0 1.8 6.0 74 66 A 69 LEU HDy% A 13 LYS H 1.0 1.3 6.5 75 67 A 12 PHE HA A 69 LEU HDy% 1.0 2.3 6.5 76 68 A 69 LEU HDy% A 12 PHE HBy 1.0 2.3 5.5 77 68 A 69 LEU HDy% A 12 PHE HBx 1.0 2.3 5.5 78 69 A 69 LEU HDy% A 9 ILE HA 1.0 1.8 6.0 79 70 A 69 LEU HDy% A 70 THR H 1.0 1.8 6.0 80 71 A 69 LEU HDy% A 69 LEU H 1.0 1.8 6.0 81 72 A 12 PHE HDy A 69 LEU HDy% 1.0 1.8 4.5 82 73 A 69 LEU HDy% A 9 ILE HG2% 1.0 1.8 6.0 83 74 A 4 LEU HDy% A 69 LEU HDx% 1.0 1.8 6.0 84 75 A 4 LEU HDy% A 69 LEU HDy% 1.0 1.8 6.0 85 76 A 13 LYS H A 9 ILE HG2% 1.0 1.8 6.0 86 77 A 66 PRO HA A 69 LEU HBx 1.0 2.3 5.0 87 77 A 66 PRO HA A 69 LEU HBy 1.0 2.3 5.0 88 78 A 69 LEU HDx% A 65 PHE HEy 1.0 1.8 5.5 89 79 A 69 LEU HDx% A 65 PHE HZ 1.0 1.8 5.5 90 80 A 69 LEU HDx% A 66 PRO HA 1.0 1.8 5.5 91 81 A 69 LEU HDx% A 65 PHE HDy 1.0 2.3 6.0 92 82 A 70 THR H A 69 LEU HDx% 1.0 2.3 6.5 93 83 A 69 LEU H A 69 LEU HDx% 1.0 0.8 6.0 94 84 A 9 ILE HG2% A 69 LEU HDx% 1.0 1.8 6.0 95 85 A 9 ILE HG2% A 65 PHE HZ 1.0 1.8 6.0 96 86 A 12 PHE HDy A 9 ILE HG2% 1.0 1.8 6.0 97 87 A 65 PHE HZ A 13 LYS HA 1.0 1.8 5.0 98 88 A 65 PHE HEy A 13 LYS HA 1.0 1.8 4.0 99 89 A 13 LYS H A 65 PHE HZ 1.0 1.8 5.0 100 90 A 128 ALA HB% A 144 MET H 1.0 2.8 7.0 101 91 A 52 ILE HG2% A 62 THR HA 1.0 1.8 6.0 102 92 A 62 THR HA A 52 ILE HD1% 1.0 1.8 6.0 103 93 A 28 THR HA A 62 THR HG2% 1.0 1.8 5.0 104 94 A 62 THR HG2% A 28 THR HB 1.0 1.8 6.0 105 95 A 28 THR HB A 30 LYS H 1.0 1.8 4.5 106 96 A 28 THR HB A 28 THR H 1.0 1.8 5.0 107 97 A 28 THR HB A 31 GLU H 1.0 1.8 5.0 108 98 A 52 ILE HD1% A 29 THR HG2% 1.0 1.8 5.0 109 99 A 52 ILE HD1% A 29 THR HA 1.0 2.3 5.5 110 100 A 52 ILE HD1% A 29 THR H 1.0 1.8 6.0 111 101 A 52 ILE HD1% A 28 THR HA 1.0 1.8 6.0 112 102 A 26 THR HA A 16 PHE HZ 1.0 1.8 5.5 113 103 A 26 THR HA A 16 PHE HEx 1.0 1.8 5.5 114 104 A 86 ARG HA A 89 PHE HDy 1.0 1.8 5.0 115 105 A 86 ARG HA A 138 TYR HDy 1.0 1.8 5.0 116 106 A 86 ARG HA A 138 TYR HEx 1.0 1.8 4.0 117 107 A 16 PHE HZ A 25 GLY HAx 1.0 2.8 6.0 118 108 A 16 PHE HZ A 65 PHE H 1.0 1.8 5.5 119 109 A 16 PHE HEx A 65 PHE H 1.0 1.8 5.5 120 110 A 16 PHE HZ A 26 THR H 1.0 2.3 5.5 121 111 A 16 PHE HZ A 27 ILE H 1.0 2.3 5.5 122 112 A 65 PHE H A 65 PHE HDx 1.0 1.8 5.5 123 113 A 12 PHE HA A 15 ALA H 1.0 1.8 5.0 124 114 A 12 PHE HA A 12 PHE HDx 1.0 1.8 3.5 125 115 A 12 PHE HDx A 12 PHE H 1.0 1.8 5.0 126 116 A 12 PHE HDy A 9 ILE HA 1.0 1.8 5.0 127 117 A 9 ILE HA A 12 PHE HBy 1.0 1.8 5.0 128 117 A 12 PHE HBx A 9 ILE HA 1.0 1.8 5.0 129 118 A 63 ILE HG2% A 68 PHE HDx 1.0 2.3 5.0 130 119 A 63 ILE HG2% A 68 PHE HBx 1.0 1.8 6.0 131 119 A 63 ILE HG2% A 68 PHE HBy 1.0 1.8 6.0 132 120 A 63 ILE HG2% A 68 PHE HA 1.0 1.8 4.5 133 121 A 63 ILE HG2% A 68 PHE H 1.0 1.8 6.0 134 122 A 138 TYR H A 89 PHE HZ 1.0 1.8 5.0 135 123 A 89 PHE HEy A 98 GLY HAx 1.0 1.8 5.0 136 124 A 89 PHE HEy A 98 GLY H 1.0 1.8 5.0 137 125 A 89 PHE HZ A 137 ASN HA 1.0 3.5 6.0 138 126 A 137 ASN HA A 89 PHE HEx 1.0 3.5 6.0 139 127 A 85 ILE HG2% A 138 TYR HEx 1.0 2.3 5.5 140 128 A 85 ILE HG2% A 141 PHE HEy 1.0 2.3 5.5 141 129 A 85 ILE HG2% A 141 PHE HDy 1.0 1.8 5.0 142 130 A 141 PHE HEy A 85 ILE HA 1.0 1.8 5.0 143 131 A 138 TYR HEx A 86 ARG H 1.0 1.8 5.5 144 132 A 86 ARG HA A 138 TYR HEx 1.0 1.8 4.0 145 133 A 108 VAL HGy% A 94 LYS H 1.0 1.8 6.0 146 134 A 89 PHE HA A 92 PHE HDy 1.0 1.8 4.0 147 135 A 89 PHE HA A 89 PHE HDx 1.0 1.8 3.0 148 136 A 141 PHE HEy A 89 PHE H 1.0 1.8 5.0 149 137 A 89 PHE HA A 141 PHE HZ 1.0 1.8 4.0 150 138 A 128 ALA H A 125 ILE HG2% 1.0 1.8 7.0 151 139 A 134 GLY H A 132 GLY H 1.0 1.8 6.0 152 140 A 135 GLN HA A 134 GLY H 1.0 1.8 6.0 153 141 A 134 GLY H A 135 GLN HBy 1.0 1.8 7.0 154 141 A 135 GLN HBx A 134 GLY H 1.0 1.8 7.0 155 142 A 100 ILE H A 136 VAL H 1.0 1.8 3.5 156 143 A 100 ILE HB A 136 VAL H 1.0 1.8 5.5 157 144 A 125 ILE HG2% A 134 GLY H 1.0 1.8 6.0 158 145 A 125 ILE HG2% A 135 GLN H 1.0 1.8 6.0 159 146 A 102 ALA H A 125 ILE HD1% 1.0 1.8 6.0 160 147 A 136 VAL H A 125 ILE HD1% 1.0 1.8 7.0 161 148 A 102 ALA HA A 125 ILE HD1% 1.0 1.8 4.5 162 149 A 125 ILE HD1% A 101 SER HA 1.0 1.8 6.0 163 150 A 136 VAL H A 137 ASN H 1.0 2.8 6.0 164 151 A 136 VAL HGx% A 137 ASN H 1.0 1.8 5.0 165 152 A 136 VAL HGy% A 137 ASN H 1.0 1.8 6.0 166 153 A 137 ASN H A 140 GLU HBx 1.0 1.8 6.0 167 153 A 137 ASN H A 140 GLU HBy 1.0 1.8 6.0 168 154 A 100 ILE H A 135 GLN HBy 1.0 1.8 5.5 169 154 A 135 GLN HBx A 100 ILE H 1.0 1.8 5.5 170 155 A 100 ILE H A 136 VAL HB 1.0 1.8 5.5 171 156 A 100 ILE H A 137 ASN HA 1.0 1.8 5.5 172 157 A 141 PHE H A 136 VAL HGx% 1.0 1.8 5.0 173 158 A 141 PHE H A 141 PHE HDx 1.0 1.8 5.0 174 159 A 141 PHE H A 143 GLN H 1.0 1.8 6.0 175 160 A 141 PHE H A 139 GLU H 1.0 1.8 6.0 176 161 A 141 PHE H A 140 GLU H 1.0 1.8 3.5 177 162 A 140 GLU H A 136 VAL HA 1.0 1.8 6.0 178 163 A 89 PHE HDy A 93 ASP H 1.0 4.5 6.5 179 164 A 100 ILE HD1% A 89 PHE HDx 1.0 2.3 5.0 180 165 A 100 ILE HD1% A 89 PHE HDy 1.0 5.0 7.0 181 166 A 100 ILE HD1% A 89 PHE HEx 1.0 1.8 5.0 182 167 A 100 ILE HD1% A 89 PHE HEy 1.0 4.5 7.0 183 168 A 86 ARG HA A 89 PHE HBx 1.0 1.8 4.5 184 168 A 86 ARG HA A 89 PHE HBy 1.0 1.8 4.5 185 169 A 89 PHE HZ A 99 TYR H 1.0 1.8 5.0 186 170 A 99 TYR H A 99 TYR HDy 1.0 1.8 5.0 187 171 A 89 PHE HEy A 138 TYR HBx 1.0 1.8 5.5 188 171 A 89 PHE HEy A 138 TYR HBy 1.0 1.8 5.5 189 172 A 89 PHE HDx A 138 TYR HA 1.0 1.8 4.0 190 173 A 89 PHE HEx A 138 TYR HA 1.0 1.8 4.0 191 174 A 89 PHE HZ A 138 TYR HA 1.0 1.8 4.0 192 175 A 89 PHE HDy A 89 PHE H 1.0 1.8 4.5 193 176 A 89 PHE HDy A 90 ARG H 1.0 1.8 5.0 194 177 A 89 PHE HDy A 90 ARG HA 1.0 1.8 5.0 195 178 A 89 PHE HEy A 90 ARG HA 1.0 1.8 5.0 196 179 A 100 ILE H A 89 PHE HEx 1.0 1.8 5.0 197 180 A 125 ILE HD1% A 102 ALA HB% 1.0 1.8 5.0 198 181 A 102 ALA HA A 121 VAL HGx% 1.0 1.8 4.5 199 182 A 102 ALA HB% A 121 VAL HGx% 1.0 1.8 5.0 200 183 A 125 ILE HD1% A 105 LEU HDy% 1.0 1.8 5.5 201 184 A 136 VAL HGy% A 125 ILE HD1% 1.0 1.8 7.0 202 185 A 125 ILE HD1% A 105 LEU HBx 1.0 1.8 4.5 203 186 A 125 ILE HD1% A 105 LEU H 1.0 1.8 6.0 204 187 A 100 ILE HD1% A 141 PHE HDx 1.0 1.8 6.0 205 188 A 100 ILE HD1% A 92 PHE HDy 1.0 1.8 5.0 206 189 A 100 ILE HD1% A 141 PHE HEx 1.0 1.8 6.0 207 190 A 92 PHE H A 100 ILE HD1% 1.0 1.8 6.0 208 191 A 100 ILE HD1% A 93 ASP H 1.0 1.8 6.0 209 192 A 92 PHE HDy A 93 ASP H 1.0 1.8 5.5 210 193 A 92 PHE H A 92 PHE HDy 1.0 1.8 3.5 211 194 A 100 ILE HD1% A 136 VAL HGx% 1.0 1.8 8.0 212 195 A 92 PHE HDx A 105 LEU HA 1.0 2.3 4.5 213 196 A 108 VAL HGy% A 105 LEU HA 1.0 1.8 5.0 214 197 A 52 ILE HG2% A 61 GLY H 1.0 2.3 6.5 215 198 A 52 ILE HG2% A 62 THR H 1.0 2.3 6.5 216 199 A 52 ILE HG2% A 56 ASP HBx 1.0 1.8 5.0 217 199 A 52 ILE HG2% A 56 ASP HBy 1.0 1.8 5.0 218 200 A 121 VAL HGx% A 105 LEU H 1.0 1.8 6.0 219 201 A 121 VAL HGx% A 106 ARG H 1.0 1.8 4.5 220 202 A 106 ARG HA A 121 VAL HGy% 1.0 1.8 4.5 221 203 A 100 ILE HD1% A 89 PHE HA 1.0 1.8 6.0 222 204 A 100 ILE H A 100 ILE HG2% 1.0 1.8 6.0 223 205 A 100 ILE HG2% A 101 SER H 1.0 2.3 5.5 224 206 A 100 ILE HG2% A 92 PHE HBx 1.0 1.8 6.0 225 206 A 100 ILE HG2% A 92 PHE HBy 1.0 1.8 6.0 226 207 A 105 LEU HA A 100 ILE HG2% 1.0 1.8 6.0 227 208 A 105 LEU H A 100 ILE HG2% 1.0 1.8 6.0 228 209 A 100 ILE HD1% A 92 PHE HBx 1.0 1.8 5.0 229 209 A 100 ILE HD1% A 92 PHE HBy 1.0 1.8 5.0 230 210 A 27 ILE H A 63 ILE HG2% 1.0 1.8 6.0 231 211 A 44 THR H A 47 GLU HBx 1.0 1.8 5.5 232 211 A 44 THR H A 47 GLU HBy 1.0 1.8 5.5 233 212 A 66 PRO HA A 68 PHE H 1.0 1.8 5.0 234 213 A 69 LEU H A 66 PRO HA 1.0 1.8 5.0 235 214 A 32 LEU HA A 35 VAL HB 1.0 1.8 5.0 236 215 A 5 THR H A 4 LEU HA 1.0 1.8 5.0 237 216 A 8 GLN H A 7 GLU HA 1.0 1.8 5.0 238 217 A 9 ILE HA A 10 ALA H 1.0 1.8 5.0 239 218 A 12 PHE H A 9 ILE HA 1.0 1.8 5.0 240 219 A 12 PHE H A 8 GLN HA 1.0 1.8 5.0 241 220 A 5 THR H A 9 ILE HD1% 1.0 1.8 6.0 242 221 A 9 ILE HD1% A 6 GLU H 1.0 1.8 6.0 243 222 A 10 ALA H A 9 ILE HD1% 1.0 1.8 6.0 244 223 A 11 GLU H A 10 ALA HA 1.0 1.8 5.0 245 224 A 13 LYS H A 10 ALA HA 1.0 1.8 5.0 246 225 A 12 PHE H A 11 GLU HA 1.0 1.8 5.0 247 226 A 12 PHE HA A 13 LYS H 1.0 1.8 5.0 248 227 A 13 LYS H A 12 PHE HBy 1.0 1.8 5.5 249 227 A 13 LYS H A 12 PHE HBx 1.0 1.8 5.5 250 228 A 13 LYS HA A 14 GLU H 1.0 1.8 5.0 251 229 A 13 LYS HA A 16 PHE H 1.0 1.8 5.0 252 230 A 13 LYS HA A 17 SER H 1.0 1.8 5.0 253 231 A 65 PHE HZ A 13 LYS HA 1.0 1.8 5.0 254 232 A 15 ALA HA A 16 PHE H 1.0 1.8 5.0 255 233 A 18 LEU HA A 19 PHE H 1.0 1.8 5.0 256 234 A 19 PHE HA A 20 ASP H 1.0 1.8 5.0 257 235 A 29 THR HA A 33 GLY H 1.0 1.8 5.0 258 236 A 31 GLU H A 30 LYS HA 1.0 1.8 5.0 259 237 A 31 GLU H A 30 LYS HBx 1.0 1.8 5.5 260 237 A 31 GLU H A 30 LYS HBy 1.0 1.8 5.5 261 238 A 32 LEU HA A 33 GLY H 1.0 1.8 5.0 262 239 A 32 LEU HA A 36 MET H 1.0 1.8 5.0 263 240 A 35 VAL HB A 36 MET H 1.0 1.8 3.5 264 241 A 36 MET HA A 37 ARG H 1.0 1.8 5.0 265 242 A 39 LEU HA A 40 GLY H 1.0 1.8 5.0 266 243 A 41 GLN H A 40 GLY HAy 1.0 1.8 6.0 267 243 A 41 GLN H A 40 GLY HAx 1.0 1.8 6.0 268 244 A 42 ASN H A 41 GLN HA 1.0 1.8 3.0 269 245 A 46 ALA H A 44 THR HA 1.0 1.8 5.0 270 246 A 49 GLN H A 48 LEU HA 1.0 1.8 5.0 271 247 A 50 ASP H A 49 GLN HA 1.0 1.8 5.0 272 248 A 54 GLU H A 53 ASN HA 1.0 1.8 5.0 273 249 A 58 ASP H A 59 GLY HAx 1.0 1.8 6.0 274 249 A 58 ASP H A 59 GLY HAy 1.0 1.8 6.0 275 250 A 60 ASP H A 59 GLY HAx 1.0 1.8 6.0 276 250 A 59 GLY HAy A 60 ASP H 1.0 1.8 6.0 277 251 A 61 GLY H A 59 GLY HAx 1.0 1.8 6.0 278 251 A 61 GLY H A 59 GLY HAy 1.0 1.8 6.0 279 252 A 60 ASP H A 61 GLY HAy 1.0 1.8 6.0 280 252 A 60 ASP H A 61 GLY HAx 1.0 1.8 6.0 281 253 A 79 THR H A 78 ASP HBx 1.0 1.8 5.5 282 253 A 79 THR H A 78 ASP HBy 1.0 1.8 5.5 283 254 A 86 ARG HA A 87 GLU H 1.0 1.8 5.0 284 255 A 88 ALA HA A 89 PHE H 1.0 1.8 5.0 285 256 A 88 ALA HA A 91 VAL H 1.0 1.8 5.0 286 257 A 89 PHE HA A 91 VAL H 1.0 1.8 5.0 287 258 A 92 PHE H A 89 PHE HA 1.0 1.8 5.0 288 259 A 94 LYS H A 93 ASP HA 1.0 1.8 3.0 289 260 A 101 SER H A 100 ILE HA 1.0 1.8 3.0 290 261 A 102 ALA HA A 103 ALA H 1.0 1.8 5.0 291 262 A 105 LEU H A 104 GLU HA 1.0 1.8 5.0 292 263 A 106 ARG HA A 107 HIS H 1.0 1.8 5.0 293 264 A 108 VAL H A 107 HIS HA 1.0 1.8 5.0 294 265 A 112 LEU H A 108 VAL HA 1.0 1.8 5.0 295 266 A 110 THR H A 109 MET HA 1.0 1.8 5.0 296 267 A 112 LEU H A 111 ASN HA 1.0 1.8 5.0 297 268 A 119 GLU H A 117 THR HA 1.0 1.8 5.0 298 269 A 119 GLU H A 118 ASP HA 1.0 1.8 5.0 299 270 A 119 GLU H A 118 ASP HBy 1.0 1.8 5.5 300 270 A 119 GLU H A 118 ASP HBx 1.0 1.8 5.5 301 271 A 121 VAL HA A 122 ASP H 1.0 1.8 5.0 302 272 A 123 GLU H A 122 ASP HA 1.0 1.8 5.0 303 273 A 122 ASP HA A 124 MET H 1.0 1.8 5.0 304 274 A 122 ASP HA A 125 ILE H 1.0 1.8 5.0 305 275 A 125 ILE H A 124 MET HA 1.0 1.8 5.0 306 276 A 129 ASP H A 125 ILE HA 1.0 1.8 5.0 307 277 A 129 ASP H A 127 GLU HA 1.0 1.8 5.0 308 278 A 142 VAL H A 141 PHE HA 1.0 1.8 5.0 309 279 A 142 VAL HA A 143 GLN H 1.0 1.8 5.0 310 280 A 144 MET H A 143 GLN HA 1.0 1.8 5.0 311 281 A 148 LYS H A 147 ALA HA 1.0 1.8 5.0 312 282 A 82 GLU H A 81 SER HA 1.0 2.3 4.0 313 283 A 82 GLU H A 81 SER H 1.0 1.8 5.0 314 284 A 85 ILE H A 82 GLU HA 1.0 1.8 5.0 315 285 A 82 GLU HA A 85 ILE HB 1.0 1.8 5.0 316 286 A 85 ILE HG2% A 86 ARG H 1.0 1.8 6.0 317 287 A 86 ARG H A 85 ILE H 1.0 1.8 3.5 318 288 A 86 ARG H A 87 GLU H 1.0 1.8 3.5 319 289 A 85 ILE HA A 86 ARG H 1.0 1.8 3.5 320 290 A 86 ARG HA A 86 ARG H 1.0 1.8 3.5 321 291 A 86 ARG H A 86 ARG HBx 1.0 1.8 4.0 322 291 A 86 ARG H A 86 ARG HBy 1.0 1.8 4.0 323 292 A 87 GLU H A 88 ALA H 1.0 1.8 3.5 324 293 A 87 GLU H A 88 ALA HB% 1.0 1.8 6.0 325 294 A 87 GLU H A 87 GLU HA 1.0 1.8 3.5 326 295 A 90 ARG H A 87 GLU HA 1.0 1.8 5.0 327 296 A 91 VAL H A 87 GLU HA 1.0 1.8 5.5 328 297 A 87 GLU H A 87 GLU HBx 1.0 1.8 4.0 329 297 A 87 GLU H A 87 GLU HBy 1.0 1.8 4.0 330 298 A 87 GLU H A 87 GLU HGx 1.0 1.8 4.0 331 298 A 87 GLU H A 87 GLU HGy 1.0 1.8 4.0 332 299 A 89 PHE H A 88 ALA H 1.0 1.8 3.5 333 300 A 88 ALA HA A 88 ALA H 1.0 1.8 3.5 334 301 A 88 ALA H A 88 ALA HB% 1.0 1.8 4.5 335 302 A 89 PHE H A 88 ALA HB% 1.0 1.8 5.5 336 303 A 89 PHE HA A 88 ALA HB% 1.0 1.8 6.0 337 304 A 89 PHE H A 90 ARG H 1.0 1.8 3.5 338 305 A 89 PHE H A 91 VAL H 1.0 1.8 5.0 339 306 A 89 PHE HA A 89 PHE H 1.0 1.8 3.5 340 307 A 89 PHE HA A 93 ASP H 1.0 2.8 6.0 341 308 A 90 ARG H A 89 PHE HBx 1.0 1.8 5.5 342 308 A 89 PHE HBy A 90 ARG H 1.0 1.8 5.5 343 309 A 89 PHE H A 89 PHE HBx 1.0 1.8 4.0 344 309 A 89 PHE H A 89 PHE HBy 1.0 1.8 4.0 345 310 A 90 ARG H A 91 VAL H 1.0 1.8 3.5 346 311 A 89 PHE HA A 90 ARG H 1.0 1.8 5.0 347 312 A 90 ARG H A 90 ARG HA 1.0 1.8 3.5 348 313 A 90 ARG HA A 91 VAL H 1.0 1.8 5.0 349 314 A 93 ASP H A 90 ARG HA 1.0 1.8 5.5 350 315 A 90 ARG H A 90 ARG HBx 1.0 1.8 4.0 351 315 A 90 ARG H A 90 ARG HBy 1.0 1.8 4.0 352 316 A 91 VAL H A 90 ARG HBx 1.0 1.8 5.5 353 316 A 91 VAL H A 90 ARG HBy 1.0 1.8 5.5 354 317 A 90 ARG H A 90 ARG HDx 1.0 1.8 5.5 355 317 A 90 ARG H A 90 ARG HDy 1.0 1.8 5.5 356 318 A 92 PHE H A 91 VAL H 1.0 1.8 3.5 357 319 A 93 ASP H A 91 VAL H 1.0 1.8 5.0 358 320 A 91 VAL H A 91 VAL HA 1.0 1.8 3.5 359 321 A 92 PHE H A 91 VAL HA 1.0 1.8 5.0 360 322 A 91 VAL H A 91 VAL HB 1.0 1.8 3.5 361 323 A 92 PHE H A 91 VAL HB 1.0 1.8 3.5 362 324 A 91 VAL HGy% A 91 VAL H 1.0 1.8 4.5 363 325 A 91 VAL HGx% A 92 PHE H 1.0 1.8 5.5 364 326 A 91 VAL HGx% A 91 VAL H 1.0 1.8 6.0 365 327 A 91 VAL HGy% A 92 PHE H 1.0 1.8 6.0 366 328 A 92 PHE H A 93 ASP H 1.0 1.8 2.9 367 329 A 92 PHE HA A 92 PHE H 1.0 1.8 3.5 368 330 A 92 PHE HA A 93 ASP H 1.0 1.8 5.0 369 331 A 94 LYS H A 93 ASP HA 1.0 1.8 2.9 370 332 A 92 PHE H A 90 ARG HA 1.0 1.8 5.0 371 333 A 92 PHE H A 92 PHE HBx 1.0 1.8 4.0 372 333 A 92 PHE H A 92 PHE HBy 1.0 1.8 4.0 373 334 A 93 ASP H A 92 PHE HBx 1.0 1.8 4.5 374 334 A 93 ASP H A 92 PHE HBy 1.0 1.8 4.5 375 335 A 92 PHE H A 89 PHE HA 1.0 1.8 5.0 376 336 A 92 PHE H A 90 ARG HA 1.0 1.8 5.0 377 337 A 92 PHE HA A 94 LYS H 1.0 1.8 5.0 378 338 A 93 ASP H A 93 ASP HBy 1.0 1.8 4.0 379 338 A 93 ASP H A 93 ASP HBx 1.0 1.8 4.0 380 339 A 94 LYS H A 93 ASP HBy 1.0 1.8 5.5 381 339 A 94 LYS H A 93 ASP HBx 1.0 1.8 5.5 382 340 A 94 LYS H A 94 LYS HA 1.0 1.8 3.5 383 341 A 94 LYS H A 94 LYS HBx 1.0 1.8 4.5 384 341 A 94 LYS H A 94 LYS HBy 1.0 1.8 4.5 385 342 A 95 ASP H A 94 LYS HBx 1.0 2.3 5.0 386 342 A 94 LYS HBy A 95 ASP H 1.0 2.3 5.0 387 343 A 94 LYS H A 94 LYS HDx 1.0 1.8 5.5 388 343 A 94 LYS H A 94 LYS HDy 1.0 1.8 5.5 389 344 A 94 LYS H A 94 LYS HGx 1.0 1.8 4.0 390 344 A 94 LYS H A 94 LYS HGy 1.0 1.8 4.0 391 345 A 95 ASP H A 94 LYS HGx 1.0 2.3 6.0 392 345 A 95 ASP H A 94 LYS HGy 1.0 2.3 6.0 393 346 A 94 LYS H A 95 ASP H 1.0 1.8 2.9 394 347 A 95 ASP H A 96 GLY H 1.0 1.8 2.9 395 348 A 95 ASP H A 95 ASP HA 1.0 1.8 3.5 396 349 A 96 GLY H A 95 ASP HA 1.0 1.8 3.7 397 350 A 95 ASP H A 95 ASP HBy 1.0 1.8 4.0 398 350 A 95 ASP H A 95 ASP HBx 1.0 1.8 4.0 399 351 A 96 GLY H A 95 ASP HBy 1.0 1.8 5.5 400 351 A 96 GLY H A 95 ASP HBx 1.0 1.8 5.5 401 352 A 96 GLY H A 97 ASN H 1.0 1.8 2.9 402 353 A 95 ASP H A 96 GLY HAx 1.0 1.8 5.5 403 353 A 95 ASP H A 96 GLY HAy 1.0 1.8 5.5 404 354 A 94 LYS HA A 95 ASP H 1.0 1.8 4.0 405 355 A 96 GLY H A 96 GLY HAx 1.0 1.8 4.0 406 355 A 96 GLY H A 96 GLY HAy 1.0 1.8 4.0 407 356 A 97 ASN H A 96 GLY HAx 1.0 1.8 4.0 408 356 A 97 ASN H A 96 GLY HAy 1.0 1.8 4.0 409 357 A 98 GLY H A 97 ASN H 1.0 1.8 2.9 410 358 A 97 ASN H A 97 ASN HBy 1.0 1.8 4.0 411 358 A 97 ASN H A 97 ASN HBx 1.0 1.8 4.0 412 359 A 98 GLY H A 96 GLY H 1.0 1.8 5.0 413 360 A 98 GLY H A 99 TYR H 1.0 1.8 2.9 414 361 A 98 GLY H A 98 GLY HAy 1.0 1.8 4.0 415 361 A 98 GLY H A 98 GLY HAx 1.0 1.8 4.0 416 362 A 99 TYR H A 98 GLY HAy 1.0 1.8 4.0 417 362 A 99 TYR H A 98 GLY HAx 1.0 1.8 4.0 418 363 A 99 TYR H A 99 TYR HA 1.0 1.8 3.5 419 364 A 100 ILE H A 99 TYR HA 1.0 1.8 2.9 420 365 A 99 TYR H A 99 TYR HBx 1.0 1.8 4.0 421 365 A 99 TYR H A 99 TYR HBy 1.0 1.8 4.0 422 366 A 100 ILE H A 99 TYR HBx 1.0 1.8 5.5 423 366 A 100 ILE H A 99 TYR HBy 1.0 1.8 5.5 424 367 A 100 ILE H A 99 TYR H 1.0 1.8 5.0 425 368 A 100 ILE HB A 100 ILE H 1.0 1.8 4.0 426 369 A 101 SER HA A 101 SER H 1.0 1.8 5.0 427 370 A 102 ALA H A 101 SER HA 1.0 1.8 3.5 428 371 A 101 SER H A 101 SER HBy 1.0 1.8 5.5 429 371 A 101 SER H A 101 SER HBx 1.0 1.8 5.5 430 372 A 102 ALA H A 101 SER HBy 1.0 1.8 4.5 431 372 A 102 ALA H A 101 SER HBx 1.0 1.8 4.5 432 373 A 102 ALA H A 101 SER H 1.0 1.8 5.0 433 374 A 102 ALA H A 103 ALA H 1.0 1.8 3.5 434 375 A 102 ALA H A 102 ALA HB% 1.0 1.8 4.5 435 376 A 103 ALA H A 104 GLU H 1.0 1.8 3.5 436 377 A 103 ALA H A 103 ALA HA 1.0 1.8 3.5 437 378 A 103 ALA H A 103 ALA HB% 1.0 1.8 6.0 438 379 A 102 ALA HB% A 103 ALA H 1.0 1.8 4.5 439 380 A 104 GLU HA A 104 GLU H 1.0 1.8 3.5 440 381 A 104 GLU H A 104 GLU HBy 1.0 1.8 4.0 441 381 A 104 GLU H A 104 GLU HBx 1.0 1.8 4.0 442 382 A 104 GLU H A 104 GLU HGx 1.0 1.8 4.0 443 382 A 104 GLU H A 104 GLU HGy 1.0 1.8 4.0 444 383 A 105 LEU HA A 108 VAL HB 1.0 1.8 3.5 445 384 A 105 LEU HA A 106 ARG H 1.0 1.8 5.0 446 385 A 105 LEU H A 105 LEU HBx 1.0 1.8 4.0 447 385 A 105 LEU H A 105 LEU HBy 1.0 1.8 4.0 448 386 A 106 ARG H A 105 LEU HBx 1.0 1.8 4.0 449 386 A 106 ARG H A 105 LEU HBy 1.0 1.8 4.0 450 387 A 105 LEU H A 105 LEU HDx% 1.0 1.8 6.0 451 388 A 105 LEU HDy% A 105 LEU H 1.0 1.8 6.0 452 389 A 106 ARG H A 104 GLU H 1.0 1.8 5.0 453 390 A 105 LEU H A 106 ARG H 1.0 1.8 3.5 454 391 A 106 ARG H A 107 HIS H 1.0 1.8 3.5 455 392 A 106 ARG H A 103 ALA HA 1.0 1.8 5.0 456 393 A 106 ARG HA A 106 ARG H 1.0 1.8 3.5 457 394 A 109 MET H A 106 ARG HA 1.0 1.8 5.0 458 395 A 106 ARG H A 106 ARG HBx 1.0 1.8 4.0 459 395 A 106 ARG H A 106 ARG HBy 1.0 1.8 4.0 460 396 A 107 HIS H A 106 ARG HBx 1.0 1.8 4.0 461 396 A 107 HIS H A 106 ARG HBy 1.0 1.8 4.0 462 397 A 106 ARG H A 106 ARG HDx 1.0 1.8 5.5 463 397 A 106 ARG H A 106 ARG HDy 1.0 1.8 5.5 464 398 A 106 ARG H A 106 ARG HGx 1.0 1.8 5.5 465 398 A 106 ARG H A 106 ARG HGy 1.0 1.8 5.5 466 399 A 107 HIS H A 108 VAL H 1.0 1.8 3.5 467 400 A 107 HIS H A 107 HIS HA 1.0 1.8 3.5 468 401 A 107 HIS H A 107 HIS HBy 1.0 1.8 4.0 469 401 A 107 HIS H A 107 HIS HBx 1.0 1.8 4.0 470 402 A 106 ARG H A 108 VAL H 1.0 1.8 5.0 471 403 A 109 MET H A 108 VAL H 1.0 1.8 3.5 472 404 A 108 VAL H A 107 HIS HBy 1.0 1.8 5.5 473 404 A 108 VAL H A 107 HIS HBx 1.0 1.8 5.5 474 405 A 108 VAL H A 108 VAL HA 1.0 1.8 3.5 475 406 A 109 MET H A 108 VAL HA 1.0 1.8 5.0 476 407 A 108 VAL HA A 111 ASN H 1.0 1.8 5.0 477 408 A 108 VAL H A 108 VAL HB 1.0 1.8 3.5 478 409 A 108 VAL HGy% A 108 VAL H 1.0 1.8 4.5 479 410 A 108 VAL HGy% A 109 MET H 1.0 1.8 6.0 480 411 A 108 VAL HGx% A 108 VAL H 1.0 1.8 4.5 481 412 A 108 VAL HGx% A 109 MET H 1.0 1.8 6.0 482 413 A 109 MET H A 110 THR H 1.0 1.8 5.0 483 414 A 109 MET H A 108 VAL HB 1.0 1.8 5.0 484 415 A 109 MET H A 109 MET HA 1.0 1.8 3.5 485 416 A 109 MET H A 109 MET HBx 1.0 1.8 4.0 486 416 A 109 MET H A 109 MET HBy 1.0 1.8 4.0 487 417 A 110 THR H A 109 MET HBx 1.0 1.8 4.0 488 417 A 110 THR H A 109 MET HBy 1.0 1.8 4.0 489 418 A 110 THR H A 111 ASN H 1.0 1.8 3.5 490 419 A 110 THR H A 110 THR HA 1.0 1.8 3.5 491 420 A 110 THR HA A 111 ASN H 1.0 1.8 5.0 492 421 A 110 THR HA A 114 GLU HBx 1.0 1.8 6.0 493 421 A 110 THR HA A 114 GLU HBy 1.0 1.8 6.0 494 422 A 110 THR HA A 113 GLY H 1.0 1.8 5.0 495 423 A 113 GLY H A 111 ASN HA 1.0 1.8 5.0 496 424 A 110 THR H A 110 THR HB 1.0 1.8 3.5 497 425 A 110 THR H A 110 THR HG2% 1.0 1.8 6.0 498 426 A 111 ASN H A 110 THR HG2% 1.0 1.8 5.5 499 427 A 112 LEU H A 111 ASN H 1.0 1.8 3.5 500 428 A 111 ASN H A 110 THR HB 1.0 1.8 5.0 501 429 A 111 ASN HA A 111 ASN H 1.0 1.8 3.5 502 430 A 111 ASN H A 111 ASN HBy 1.0 1.8 4.0 503 430 A 111 ASN H A 111 ASN HBx 1.0 1.8 4.0 504 431 A 112 LEU H A 111 ASN HBy 1.0 1.8 4.0 505 431 A 112 LEU H A 111 ASN HBx 1.0 1.8 4.0 506 432 A 112 LEU H A 112 LEU HA 1.0 1.8 3.5 507 433 A 113 GLY H A 110 THR HG2% 1.0 1.8 6.0 508 434 A 113 GLY H A 112 LEU HBy 1.0 1.8 4.0 509 434 A 112 LEU HBx A 113 GLY H 1.0 1.8 4.0 510 435 A 112 LEU H A 112 LEU HBy 1.0 1.8 4.0 511 435 A 112 LEU HBx A 112 LEU H 1.0 1.8 4.0 512 436 A 112 LEU H A 109 MET HA 1.0 1.8 5.0 513 437 A 112 LEU HDy% A 109 MET HA 1.0 1.8 6.0 514 438 A 110 THR HA A 112 LEU H 1.0 1.8 5.0 515 439 A 112 LEU HDx% A 112 LEU H 1.0 1.8 6.0 516 440 A 112 LEU HDy% A 112 LEU H 1.0 1.8 6.0 517 441 A 114 GLU H A 113 GLY H 1.0 1.8 2.9 518 442 A 113 GLY H A 113 GLY HAy 1.0 1.8 4.0 519 442 A 113 GLY H A 113 GLY HAx 1.0 1.8 4.0 520 443 A 114 GLU H A 114 GLU HA 1.0 1.8 3.5 521 444 A 112 LEU HDx% A 113 GLY H 1.0 1.8 6.5 522 445 A 112 LEU HDy% A 113 GLY H 1.0 1.8 6.5 523 446 A 114 GLU H A 114 GLU HBx 1.0 1.8 4.0 524 446 A 114 GLU H A 114 GLU HBy 1.0 1.8 4.0 525 447 A 114 GLU H A 114 GLU HGx 1.0 1.8 5.5 526 447 A 114 GLU H A 114 GLU HGy 1.0 1.8 5.5 527 448 A 114 GLU HA A 115 LYS H 1.0 1.8 3.0 528 449 A 114 GLU H A 113 GLY HAy 1.0 1.8 5.5 529 449 A 114 GLU H A 113 GLY HAx 1.0 1.8 5.5 530 450 A 114 GLU H A 115 LYS H 1.0 1.8 5.0 531 451 A 116 LEU H A 115 LYS H 1.0 1.8 5.0 532 452 A 116 LEU H A 115 LYS HA 1.0 1.8 3.0 533 453 A 115 LYS H A 115 LYS HBy 1.0 1.8 4.0 534 453 A 115 LYS H A 115 LYS HBx 1.0 1.8 4.0 535 454 A 117 THR H A 116 LEU H 1.0 1.8 5.0 536 455 A 116 LEU H A 116 LEU HBy 1.0 1.8 4.0 537 455 A 116 LEU H A 116 LEU HBx 1.0 1.8 4.0 538 456 A 117 THR H A 116 LEU HBy 1.0 1.8 5.5 539 456 A 117 THR H A 116 LEU HBx 1.0 1.8 5.5 540 457 A 117 THR H A 118 ASP H 1.0 1.8 5.0 541 458 A 117 THR H A 116 LEU HA 1.0 1.8 2.9 542 459 A 117 THR H A 117 THR HA 1.0 1.8 5.0 543 460 A 117 THR HA A 118 ASP H 1.0 1.8 2.9 544 461 A 117 THR H A 117 THR HB 1.0 1.8 5.0 545 462 A 117 THR H A 117 THR HG2% 1.0 2.3 5.0 546 463 A 118 ASP H A 117 THR HG2% 1.0 1.8 6.0 547 464 A 119 GLU H A 117 THR HG2% 1.0 1.8 6.0 548 465 A 119 GLU H A 118 ASP H 1.0 1.8 3.5 549 466 A 118 ASP H A 117 THR HB 1.0 1.8 3.5 550 467 A 118 ASP HA A 118 ASP H 1.0 1.8 3.5 551 468 A 118 ASP H A 118 ASP HBy 1.0 1.8 4.0 552 468 A 118 ASP HBx A 118 ASP H 1.0 1.8 4.0 553 469 A 119 GLU H A 119 GLU HA 1.0 1.8 3.5 554 470 A 121 VAL HA A 121 VAL H 1.0 1.8 3.5 555 471 A 121 VAL HA A 124 MET H 1.0 1.8 5.0 556 472 A 121 VAL H A 121 VAL HB 1.0 1.8 3.5 557 473 A 121 VAL HGx% A 121 VAL H 1.0 1.8 4.5 558 474 A 121 VAL HGy% A 121 VAL H 1.0 1.8 4.5 559 475 A 121 VAL HGx% A 122 ASP H 1.0 1.8 6.0 560 476 A 122 ASP H A 122 ASP HA 1.0 1.8 3.5 561 477 A 122 ASP H A 122 ASP HBy 1.0 1.8 4.0 562 477 A 122 ASP H A 122 ASP HBx 1.0 1.8 4.0 563 478 A 123 GLU H A 122 ASP HBy 1.0 2.3 4.5 564 478 A 123 GLU H A 122 ASP HBx 1.0 2.3 4.5 565 479 A 123 GLU H A 121 VAL H 1.0 1.8 5.0 566 480 A 123 GLU H A 124 MET H 1.0 1.8 3.5 567 481 A 123 GLU H A 123 GLU HA 1.0 1.8 3.5 568 482 A 123 GLU H A 123 GLU HBx 1.0 1.8 4.0 569 482 A 123 GLU H A 123 GLU HBy 1.0 1.8 4.0 570 483 A 123 GLU H A 123 GLU HGx 1.0 2.3 4.5 571 483 A 123 GLU H A 123 GLU HGy 1.0 2.3 4.5 572 484 A 124 MET H A 124 MET HA 1.0 1.8 3.5 573 485 A 124 MET H A 124 MET HBy 1.0 1.8 4.0 574 485 A 124 MET H A 124 MET HBx 1.0 1.8 4.0 575 486 A 125 ILE H A 124 MET HBy 1.0 1.8 5.5 576 486 A 125 ILE H A 124 MET HBx 1.0 1.8 5.5 577 487 A 125 ILE H A 126 ARG H 1.0 1.8 3.5 578 488 A 125 ILE H A 125 ILE HA 1.0 1.8 3.5 579 489 A 125 ILE HA A 126 ARG H 1.0 1.8 5.0 580 490 A 128 ALA H A 125 ILE HA 1.0 1.8 5.0 581 491 A 125 ILE H A 125 ILE HB 1.0 1.8 3.5 582 492 A 128 ALA HB% A 125 ILE HA 1.0 1.8 4.5 583 493 A 125 ILE H A 125 ILE HG1y 1.0 1.8 4.5 584 493 A 125 ILE H A 125 ILE HG1x 1.0 1.8 4.5 585 494 A 125 ILE HG2% A 125 ILE H 1.0 1.8 6.0 586 495 A 125 ILE HG2% A 126 ARG H 1.0 1.8 6.0 587 496 A 124 MET H A 126 ARG H 1.0 1.8 5.0 588 497 A 126 ARG H A 127 GLU H 1.0 1.8 3.5 589 498 A 128 ALA H A 126 ARG H 1.0 1.8 5.0 590 499 A 126 ARG H A 126 ARG HA 1.0 1.8 3.5 591 500 A 126 ARG H A 125 ILE HB 1.0 1.8 3.5 592 501 A 126 ARG H A 126 ARG HDx 1.0 1.8 5.5 593 501 A 126 ARG H A 126 ARG HDy 1.0 1.8 5.5 594 502 A 126 ARG H A 126 ARG HBx 1.0 1.8 4.0 595 502 A 126 ARG H A 126 ARG HBy 1.0 1.8 4.0 596 503 A 128 ALA H A 127 GLU H 1.0 1.8 3.5 597 504 A 127 GLU HA A 127 GLU H 1.0 1.8 3.5 598 505 A 128 ALA H A 127 GLU HA 1.0 1.8 5.0 599 506 A 127 GLU H A 127 GLU HBx 1.0 1.8 4.0 600 506 A 127 GLU H A 127 GLU HBy 1.0 1.8 4.0 601 507 A 128 ALA H A 127 GLU HBx 1.0 1.8 5.5 602 507 A 128 ALA H A 127 GLU HBy 1.0 1.8 5.5 603 508 A 124 MET H A 123 GLU HGx 1.0 1.8 5.5 604 508 A 124 MET H A 123 GLU HGy 1.0 1.8 5.5 605 509 A 128 ALA H A 129 ASP H 1.0 1.8 2.9 606 510 A 128 ALA H A 128 ALA HA 1.0 1.8 3.5 607 511 A 128 ALA HB% A 128 ALA H 1.0 1.8 4.5 608 512 A 128 ALA HB% A 129 ASP H 1.0 1.8 6.0 609 513 A 129 ASP H A 129 ASP HA 1.0 1.8 3.5 610 514 A 128 ALA H A 129 ASP HBx 1.0 2.3 6.0 611 514 A 128 ALA H A 129 ASP HBy 1.0 2.3 6.0 612 515 A 129 ASP H A 129 ASP HBx 1.0 1.8 4.0 613 515 A 129 ASP H A 129 ASP HBy 1.0 1.8 4.0 614 516 A 132 GLY H A 129 ASP HBx 1.0 1.8 5.5 615 516 A 132 GLY H A 129 ASP HBy 1.0 1.8 5.5 616 517 A 131 ASP H A 130 ILE H 1.0 1.8 2.9 617 518 A 130 ILE H A 130 ILE HA 1.0 1.8 3.5 618 519 A 131 ASP H A 130 ILE HA 1.0 1.8 5.0 619 520 A 130 ILE H A 130 ILE HB 1.0 1.8 3.5 620 521 A 131 ASP H A 130 ILE HB 1.0 1.8 3.5 621 522 A 130 ILE H A 130 ILE HG1y 1.0 1.8 5.5 622 522 A 130 ILE H A 130 ILE HG1x 1.0 1.8 5.5 623 523 A 131 ASP H A 130 ILE HG1y 1.0 1.8 5.5 624 523 A 131 ASP H A 130 ILE HG1x 1.0 1.8 5.5 625 524 A 130 ILE H A 130 ILE HG2% 1.0 1.8 6.0 626 525 A 131 ASP H A 130 ILE HG2% 1.0 1.8 6.0 627 526 A 136 VAL HGx% A 140 GLU H 1.0 1.8 6.0 628 527 A 135 GLN H A 133 ASP H 1.0 2.3 4.5 629 528 A 130 ILE HB A 131 ASP HA 1.0 2.3 5.5 630 529 A 129 ASP HA A 130 ILE H 1.0 1.8 2.9 631 530 A 131 ASP H A 131 ASP HA 1.0 1.8 3.5 632 531 A 131 ASP H A 131 ASP HBx 1.0 1.8 4.0 633 531 A 131 ASP H A 131 ASP HBy 1.0 1.8 4.0 634 532 A 132 GLY H A 131 ASP H 1.0 1.8 2.9 635 533 A 132 GLY H A 133 ASP H 1.0 1.8 2.9 636 534 A 134 GLY H A 133 ASP H 1.0 1.8 2.9 637 535 A 134 GLY H A 133 ASP HA 1.0 1.8 5.0 638 536 A 133 ASP H A 133 ASP HBy 1.0 1.8 4.0 639 536 A 133 ASP H A 133 ASP HBx 1.0 1.8 4.0 640 537 A 134 GLY H A 133 ASP HBy 1.0 2.3 6.0 641 537 A 134 GLY H A 133 ASP HBx 1.0 2.3 6.0 642 538 A 134 GLY H A 135 GLN H 1.0 1.8 2.9 643 539 A 133 ASP H A 134 GLY HAy 1.0 1.8 5.5 644 539 A 133 ASP H A 134 GLY HAx 1.0 1.8 5.5 645 540 A 135 GLN H A 134 GLY HAy 1.0 1.8 4.0 646 540 A 135 GLN H A 134 GLY HAx 1.0 1.8 4.0 647 541 A 136 VAL H A 135 GLN H 1.0 1.8 5.0 648 542 A 135 GLN HA A 136 VAL H 1.0 1.8 2.9 649 543 A 135 GLN H A 135 GLN HBy 1.0 1.8 4.0 650 543 A 135 GLN HBx A 135 GLN H 1.0 1.8 4.0 651 544 A 136 VAL H A 135 GLN HBy 1.0 1.8 4.0 652 544 A 135 GLN HBx A 136 VAL H 1.0 1.8 4.0 653 545 A 136 VAL H A 136 VAL HA 1.0 1.8 5.0 654 546 A 137 ASN H A 136 VAL HA 1.0 1.8 2.9 655 547 A 136 VAL H A 136 VAL HB 1.0 1.8 3.5 656 548 A 136 VAL HGy% A 136 VAL H 1.0 2.3 5.0 657 549 A 136 VAL HGx% A 136 VAL H 1.0 1.8 6.0 658 550 A 100 ILE HB A 136 VAL HB 1.0 1.8 5.0 659 551 A 100 ILE HD1% A 136 VAL HB 1.0 1.8 6.0 660 552 A 136 VAL HGy% A 135 GLN HA 1.0 1.8 6.0 661 553 A 140 GLU H A 137 ASN H 1.0 1.8 5.0 662 554 A 137 ASN HA A 137 ASN H 1.0 1.8 5.0 663 555 A 137 ASN HA A 99 TYR HA 1.0 1.8 5.0 664 556 A 138 TYR H A 137 ASN HA 1.0 1.8 5.0 665 557 A 137 ASN HA A 139 GLU H 1.0 1.8 5.0 666 558 A 138 TYR H A 139 GLU H 1.0 1.8 3.5 667 559 A 138 TYR H A 138 TYR HA 1.0 1.8 3.5 668 560 A 138 TYR H A 138 TYR HBx 1.0 1.8 4.0 669 560 A 138 TYR H A 138 TYR HBy 1.0 1.8 4.0 670 561 A 140 GLU H A 139 GLU H 1.0 1.8 3.5 671 562 A 139 GLU H A 138 TYR HA 1.0 1.8 5.0 672 563 A 139 GLU H A 139 GLU HA 1.0 1.8 3.5 673 564 A 140 GLU H A 139 GLU HA 1.0 1.8 5.0 674 565 A 139 GLU H A 139 GLU HBx 1.0 1.8 4.0 675 565 A 139 GLU H A 139 GLU HBy 1.0 1.8 4.0 676 566 A 139 GLU H A 139 GLU HGy 1.0 1.8 5.5 677 566 A 139 GLU H A 139 GLU HGx 1.0 1.8 5.5 678 567 A 140 GLU H A 139 GLU HGy 1.0 1.8 5.5 679 567 A 140 GLU H A 139 GLU HGx 1.0 1.8 5.5 680 568 A 140 GLU H A 140 GLU HA 1.0 1.8 3.5 681 569 A 141 PHE H A 141 PHE HA 1.0 1.8 3.5 682 570 A 141 PHE HA A 145 MET H 1.0 1.8 5.0 683 571 A 141 PHE H A 141 PHE HBx 1.0 1.8 4.0 684 571 A 141 PHE H A 141 PHE HBy 1.0 1.8 4.0 685 572 A 141 PHE HA A 144 MET HBx 1.0 1.8 4.0 686 572 A 141 PHE HA A 144 MET HBy 1.0 1.8 4.0 687 573 A 144 MET H A 144 MET HBx 1.0 1.8 4.0 688 573 A 144 MET H A 144 MET HBy 1.0 1.8 4.0 689 574 A 143 GLN H A 142 VAL H 1.0 1.8 3.5 690 575 A 142 VAL HA A 145 MET H 1.0 1.8 5.0 691 576 A 142 VAL HGy% A 139 GLU HA 1.0 1.8 6.0 692 577 A 141 PHE HDx A 141 PHE HA 1.0 1.8 2.9 693 578 A 142 VAL H A 142 VAL HB 1.0 1.8 3.5 694 579 A 143 GLN H A 142 VAL HB 1.0 2.3 4.2 695 580 A 142 VAL HGy% A 142 VAL H 1.0 1.8 4.5 696 581 A 142 VAL HGy% A 143 GLN H 1.0 1.8 6.0 697 582 A 142 VAL HGy% A 139 GLU H 1.0 2.3 6.5 698 583 A 142 VAL HGy% A 141 PHE HDy 1.0 2.3 6.5 699 584 A 143 GLN H A 144 MET H 1.0 1.8 3.5 700 585 A 143 GLN H A 143 GLN HA 1.0 1.8 3.5 701 586 A 144 MET H A 143 GLN HBx 1.0 1.8 5.5 702 586 A 143 GLN HBy A 144 MET H 1.0 1.8 5.5 703 587 A 143 GLN H A 143 GLN HBx 1.0 1.8 4.0 704 587 A 143 GLN H A 143 GLN HBy 1.0 1.8 4.0 705 588 A 144 MET H A 144 MET HA 1.0 1.8 3.5 706 589 A 144 MET H A 145 MET H 1.0 1.8 3.5 707 590 A 145 MET H A 145 MET HA 1.0 1.8 3.5 708 591 A 145 MET H A 145 MET HBx 1.0 1.8 4.0 709 591 A 145 MET H A 145 MET HBy 1.0 1.8 4.0 710 592 A 146 THR H A 145 MET HBx 1.0 2.3 5.0 711 592 A 145 MET HBy A 146 THR H 1.0 2.3 5.0 712 593 A 145 MET H A 145 MET HGx 1.0 1.8 5.5 713 593 A 145 MET H A 145 MET HGy 1.0 1.8 5.5 714 594 A 146 THR H A 146 THR HA 1.0 1.8 3.5 715 595 A 146 THR H A 146 THR HB 1.0 1.8 5.0 716 596 A 146 THR HG2% A 146 THR H 1.0 1.8 4.5 717 597 A 52 ILE HD1% A 32 LEU HDy% 1.0 1.8 6.0 718 598 A 32 LEU HDy% A 48 LEU HDy% 1.0 1.8 7.0 719 599 A 48 LEU HDy% A 32 LEU HDx% 1.0 1.8 7.0 720 600 A 52 ILE HD1% A 63 ILE HD1% 1.0 2.3 7.5 721 601 A 63 ILE HD1% A 55 VAL HGy% 1.0 1.8 7.0 722 602 A 27 ILE HG2% A 32 LEU H 1.0 2.3 5.0 723 603 A 27 ILE HG2% A 19 PHE HBx 1.0 1.8 6.0 724 603 A 27 ILE HG2% A 19 PHE HBy 1.0 1.8 6.0 725 604 A 16 PHE HA A 27 ILE HD1% 1.0 2.8 7.0 726 605 A 27 ILE HD1% A 63 ILE H 1.0 2.8 7.0 727 606 A 19 PHE HA A 27 ILE HD1% 1.0 1.8 7.0 728 607 A 27 ILE HD1% A 19 PHE HBx 1.0 2.3 5.5 729 607 A 19 PHE HBy A 27 ILE HD1% 1.0 2.3 5.5 730 608 A 20 ASP H A 27 ILE HD1% 1.0 2.8 7.0 731 609 A 27 ILE HD1% A 63 ILE HB 1.0 1.8 6.0 732 610 A 63 ILE HG2% A 27 ILE HD1% 1.0 1.8 7.0 733 611 A 62 THR HG2% A 27 ILE H 1.0 2.8 7.0 734 612 A 62 THR HG2% A 28 THR H 1.0 2.8 7.0 735 613 A 62 THR HG2% A 29 THR H 1.0 2.8 7.0 736 614 A 68 PHE HA A 71 MET HBx 1.0 1.8 5.5 737 614 A 68 PHE HA A 71 MET HBy 1.0 1.8 5.5 738 615 A 73 ALA HA A 76 MET H 1.0 1.8 5.0 739 616 A 73 ALA HA A 76 MET HBx 1.0 1.8 5.5 740 616 A 73 ALA HA A 76 MET HBy 1.0 1.8 5.5 741 617 A 4 LEU HDx% A 73 ALA HA 1.0 1.8 5.5 742 618 A 70 THR HA A 73 ALA HB% 1.0 1.8 4.5 743 619 A 67 GLU HA A 70 THR HB 1.0 1.8 4.0 744 620 A 4 LEU HDx% A 73 ALA HB% 1.0 1.8 6.0 745 621 A 12 PHE HEy A 73 ALA HB% 1.0 2.8 7.0 746 622 A 7 GLU HA A 10 ALA HB% 1.0 1.8 4.5 747 623 A 45 GLU HA A 48 LEU HBy 1.0 1.8 4.0 748 623 A 45 GLU HA A 48 LEU HBx 1.0 1.8 4.0 749 624 A 46 ALA HA A 49 GLN HBy 1.0 1.8 4.0 750 624 A 46 ALA HA A 49 GLN HBx 1.0 1.8 4.0 751 625 A 4 LEU H A 3 GLN HA 1.0 1.8 3.5 752 626 A 3 GLN H A 3 GLN HBy 1.0 1.8 4.0 753 626 A 3 GLN H A 3 GLN HBx 1.0 1.8 4.0 754 627 A 4 LEU H A 3 GLN HBy 1.0 1.8 5.5 755 627 A 4 LEU H A 3 GLN HBx 1.0 1.8 5.5 756 628 A 3 GLN H A 3 GLN HGx 1.0 1.8 5.5 757 628 A 3 GLN H A 3 GLN HGy 1.0 1.8 5.5 758 629 A 4 LEU H A 3 GLN HGx 1.0 1.8 5.5 759 629 A 4 LEU H A 3 GLN HGy 1.0 1.8 5.5 760 630 A 5 THR H A 4 LEU H 1.0 1.8 5.0 761 631 A 4 LEU HA A 4 LEU H 1.0 1.8 3.5 762 632 A 4 LEU H A 4 LEU HBy 1.0 1.8 4.0 763 632 A 4 LEU H A 4 LEU HBx 1.0 1.8 4.0 764 633 A 5 THR H A 4 LEU HBy 1.0 1.8 5.5 765 633 A 5 THR H A 4 LEU HBx 1.0 1.8 5.5 766 634 A 4 LEU HDy% A 4 LEU H 1.0 1.8 6.0 767 635 A 4 LEU HDx% A 5 THR H 1.0 1.8 6.0 768 636 A 4 LEU HDx% A 4 LEU H 1.0 1.8 5.5 769 637 A 5 THR H A 6 GLU H 1.0 1.8 5.0 770 638 A 6 GLU H A 5 THR HA 1.0 1.8 3.5 771 639 A 6 GLU H A 5 THR HG2% 1.0 1.8 6.0 772 640 A 6 GLU H A 7 GLU H 1.0 1.8 3.5 773 641 A 6 GLU H A 6 GLU HA 1.0 1.8 3.5 774 642 A 6 GLU H A 5 THR HB 1.0 1.8 3.5 775 643 A 5 THR HA A 6 GLU HBx 1.0 1.8 6.0 776 643 A 5 THR HA A 6 GLU HBy 1.0 1.8 6.0 777 644 A 6 GLU H A 6 GLU HBx 1.0 1.8 4.0 778 644 A 6 GLU H A 6 GLU HBy 1.0 1.8 4.0 779 645 A 6 GLU H A 6 GLU HGx 1.0 1.8 4.0 780 645 A 6 GLU H A 6 GLU HGy 1.0 1.8 4.0 781 646 A 8 GLN H A 7 GLU H 1.0 1.8 3.5 782 647 A 7 GLU H A 9 ILE H 1.0 1.8 5.0 783 648 A 7 GLU HA A 7 GLU H 1.0 1.8 3.5 784 649 A 7 GLU H A 7 GLU HBx 1.0 1.8 4.0 785 649 A 7 GLU H A 7 GLU HBy 1.0 1.8 4.0 786 650 A 7 GLU H A 7 GLU HGx 1.0 1.8 5.5 787 650 A 7 GLU H A 7 GLU HGy 1.0 1.8 5.5 788 651 A 8 GLN H A 9 ILE H 1.0 1.8 3.5 789 652 A 8 GLN H A 8 GLN HA 1.0 1.8 3.5 790 653 A 8 GLN HA A 9 ILE H 1.0 1.8 3.5 791 654 A 8 GLN H A 8 GLN HGx 1.0 1.8 4.0 792 654 A 8 GLN H A 8 GLN HGy 1.0 1.8 4.0 793 655 A 9 ILE H A 8 GLN HGx 1.0 1.8 5.5 794 655 A 9 ILE H A 8 GLN HGy 1.0 1.8 5.5 795 656 A 10 ALA H A 9 ILE H 1.0 1.8 3.5 796 657 A 9 ILE HA A 9 ILE H 1.0 1.8 3.5 797 658 A 9 ILE H A 9 ILE HB 1.0 1.8 3.5 798 659 A 10 ALA H A 9 ILE HB 1.0 2.3 4.0 799 660 A 9 ILE HD1% A 9 ILE H 1.0 1.8 5.5 800 661 A 9 ILE HG2% A 9 ILE H 1.0 1.8 6.0 801 662 A 9 ILE HG2% A 10 ALA H 1.0 1.8 5.0 802 663 A 10 ALA H A 10 ALA HB% 1.0 1.8 4.5 803 664 A 11 GLU H A 10 ALA HB% 1.0 1.8 4.5 804 665 A 12 PHE H A 11 GLU H 1.0 1.8 3.5 805 666 A 11 GLU H A 11 GLU HA 1.0 1.8 3.5 806 667 A 11 GLU H A 11 GLU HBx 1.0 1.8 4.0 807 667 A 11 GLU H A 11 GLU HBy 1.0 1.8 4.0 808 668 A 12 PHE H A 13 LYS H 1.0 1.8 3.5 809 669 A 12 PHE HA A 12 PHE H 1.0 1.8 3.5 810 670 A 12 PHE HA A 15 ALA HB% 1.0 1.8 4.5 811 671 A 12 PHE H A 12 PHE HBy 1.0 1.8 4.0 812 671 A 12 PHE H A 12 PHE HBx 1.0 1.8 4.0 813 672 A 13 LYS H A 14 GLU H 1.0 1.8 3.5 814 673 A 13 LYS H A 15 ALA H 1.0 1.8 5.0 815 674 A 13 LYS H A 13 LYS HA 1.0 1.8 3.5 816 675 A 13 LYS H A 13 LYS HBx 1.0 1.8 4.0 817 675 A 13 LYS H A 13 LYS HBy 1.0 1.8 4.0 818 676 A 13 LYS H A 13 LYS HDx 1.0 2.0 5.5 819 676 A 13 LYS H A 13 LYS HDy 1.0 2.0 5.5 820 677 A 13 LYS H A 13 LYS HGx 1.0 1.8 5.5 821 677 A 13 LYS H A 13 LYS HGy 1.0 1.8 5.5 822 678 A 14 GLU H A 14 GLU HA 1.0 1.8 3.5 823 679 A 15 ALA H A 16 PHE H 1.0 1.8 3.5 824 680 A 15 ALA HA A 15 ALA H 1.0 1.8 3.5 825 681 A 15 ALA H A 15 ALA HB% 1.0 1.8 4.5 826 682 A 16 PHE H A 17 SER H 1.0 1.8 3.5 827 683 A 18 LEU H A 16 PHE H 1.0 1.8 5.0 828 684 A 16 PHE H A 15 ALA HB% 1.0 1.8 4.5 829 685 A 16 PHE HA A 16 PHE H 1.0 1.8 3.5 830 686 A 16 PHE HA A 17 SER H 1.0 1.8 5.0 831 687 A 16 PHE H A 16 PHE HBy 1.0 1.8 4.5 832 687 A 16 PHE H A 16 PHE HBx 1.0 1.8 4.5 833 688 A 17 SER H A 16 PHE HBy 1.0 1.8 5.5 834 688 A 17 SER H A 16 PHE HBx 1.0 1.8 5.5 835 689 A 17 SER H A 16 PHE HDy 1.0 1.8 5.0 836 690 A 16 PHE H A 16 PHE HDy 1.0 1.8 5.0 837 691 A 26 THR H A 24 ASP HBy 1.0 1.8 5.5 838 691 A 26 THR H A 24 ASP HBx 1.0 1.8 5.5 839 692 A 25 GLY H A 24 ASP HBy 1.0 1.8 5.5 840 692 A 24 ASP HBx A 25 GLY H 1.0 1.8 5.5 841 693 A 18 LEU H A 17 SER H 1.0 1.8 3.5 842 694 A 18 LEU H A 17 SER HA 1.0 1.8 5.0 843 695 A 17 SER H A 17 SER HBx 1.0 1.8 4.0 844 695 A 17 SER H A 17 SER HBy 1.0 1.8 4.0 845 696 A 18 LEU H A 19 PHE H 1.0 1.8 3.5 846 697 A 18 LEU H A 17 SER HBx 1.0 1.8 5.5 847 697 A 18 LEU H A 17 SER HBy 1.0 1.8 5.5 848 698 A 17 SER H A 18 LEU HBy 1.0 2.3 6.0 849 698 A 18 LEU HBx A 17 SER H 1.0 2.3 6.0 850 699 A 18 LEU H A 18 LEU HBy 1.0 1.8 4.0 851 699 A 18 LEU H A 18 LEU HBx 1.0 1.8 4.0 852 700 A 19 PHE H A 18 LEU HBy 1.0 1.8 5.5 853 700 A 19 PHE H A 18 LEU HBx 1.0 1.8 5.5 854 701 A 19 PHE H A 17 SER H 1.0 1.8 5.0 855 702 A 19 PHE H A 19 PHE HBx 1.0 1.8 4.5 856 702 A 19 PHE H A 19 PHE HBy 1.0 1.8 4.5 857 703 A 18 LEU H A 20 ASP H 1.0 1.8 5.0 858 704 A 19 PHE H A 20 ASP H 1.0 1.8 3.5 859 705 A 20 ASP H A 20 ASP HA 1.0 1.8 3.5 860 706 A 20 ASP HA A 21 LYS H 1.0 1.8 3.5 861 707 A 20 ASP H A 20 ASP HBy 1.0 1.8 4.0 862 707 A 20 ASP H A 20 ASP HBx 1.0 1.8 4.0 863 708 A 21 LYS H A 20 ASP HBy 1.0 1.8 5.5 864 708 A 21 LYS H A 20 ASP HBx 1.0 1.8 5.5 865 709 A 22 ASP H A 20 ASP HBy 1.0 1.8 5.5 866 709 A 20 ASP HBx A 22 ASP H 1.0 1.8 5.5 867 710 A 23 GLY H A 20 ASP HBy 1.0 1.8 5.5 868 710 A 20 ASP HBx A 23 GLY H 1.0 1.8 5.5 869 711 A 21 LYS H A 21 LYS HA 1.0 1.8 3.5 870 712 A 22 ASP H A 21 LYS HA 1.0 1.8 5.0 871 713 A 21 LYS H A 21 LYS HBx 1.0 1.8 4.0 872 713 A 21 LYS H A 21 LYS HBy 1.0 1.8 4.0 873 714 A 22 ASP H A 21 LYS HBx 1.0 2.3 4.5 874 714 A 22 ASP H A 21 LYS HBy 1.0 2.3 4.5 875 715 A 21 LYS H A 21 LYS HGx 1.0 1.8 4.0 876 715 A 21 LYS H A 21 LYS HGy 1.0 1.8 4.0 877 716 A 21 LYS H A 22 ASP H 1.0 1.8 3.5 878 717 A 22 ASP H A 23 GLY H 1.0 1.8 3.5 879 718 A 22 ASP H A 22 ASP HA 1.0 1.8 3.5 880 719 A 22 ASP H A 22 ASP HBy 1.0 1.8 4.0 881 719 A 22 ASP H A 22 ASP HBx 1.0 1.8 4.0 882 720 A 23 GLY H A 22 ASP HBy 1.0 1.8 5.5 883 720 A 23 GLY H A 22 ASP HBx 1.0 1.8 5.5 884 721 A 23 GLY H A 24 ASP H 1.0 1.8 3.5 885 722 A 23 GLY H A 23 GLY HAx 1.0 1.8 4.0 886 722 A 23 GLY H A 23 GLY HAy 1.0 1.8 4.0 887 723 A 24 ASP H A 23 GLY HAx 1.0 2.3 4.0 888 723 A 24 ASP H A 23 GLY HAy 1.0 2.3 4.0 889 724 A 22 ASP H A 24 ASP H 1.0 2.3 5.5 890 725 A 25 GLY H A 24 ASP H 1.0 1.8 3.5 891 726 A 26 THR H A 24 ASP H 1.0 1.8 5.0 892 727 A 20 ASP HA A 23 GLY H 1.0 1.8 5.0 893 728 A 24 ASP H A 24 ASP HA 1.0 1.8 3.5 894 729 A 24 ASP H A 24 ASP HBy 1.0 1.8 4.0 895 729 A 24 ASP HBx A 24 ASP H 1.0 1.8 4.0 896 730 A 25 GLY H A 23 GLY H 1.0 1.8 5.0 897 731 A 26 THR H A 25 GLY H 1.0 1.8 2.9 898 732 A 25 GLY H A 24 ASP HA 1.0 1.8 5.0 899 733 A 25 GLY H A 25 GLY HAy 1.0 1.8 4.0 900 733 A 25 GLY H A 25 GLY HAx 1.0 1.8 4.0 901 734 A 26 THR H A 25 GLY HAy 1.0 1.8 5.0 902 734 A 26 THR H A 25 GLY HAx 1.0 1.8 5.0 903 735 A 26 THR HA A 27 ILE H 1.0 1.8 2.9 904 736 A 26 THR HA A 63 ILE H 1.0 1.8 5.0 905 737 A 26 THR H A 26 THR HB 1.0 1.8 5.0 906 738 A 27 ILE H A 26 THR HB 1.0 1.8 5.0 907 739 A 26 THR HA A 26 THR HB 1.0 1.8 3.5 908 740 A 26 THR H A 26 THR HG2% 1.0 1.8 4.5 909 741 A 27 ILE H A 26 THR HG2% 1.0 2.3 6.5 910 742 A 26 THR H A 27 ILE H 1.0 1.8 5.0 911 743 A 27 ILE H A 63 ILE H 1.0 1.8 4.0 912 744 A 27 ILE H A 27 ILE HA 1.0 1.8 5.0 913 745 A 27 ILE H A 27 ILE HB 1.0 1.8 5.0 914 746 A 63 ILE H A 27 ILE HB 1.0 1.8 5.0 915 747 A 28 THR H A 27 ILE HG2% 1.0 2.3 5.0 916 748 A 27 ILE H A 27 ILE HG2% 1.0 1.8 6.0 917 749 A 27 ILE HG2% A 27 ILE HA 1.0 1.8 4.5 918 750 A 27 ILE HG2% A 63 ILE HB 1.0 1.8 6.0 919 751 A 32 LEU HA A 27 ILE HG2% 1.0 2.3 5.0 920 752 A 28 THR HA A 28 THR H 1.0 1.8 3.5 921 753 A 28 THR HA A 29 THR H 1.0 1.8 2.9 922 754 A 28 THR HA A 30 LYS H 1.0 1.8 5.0 923 755 A 28 THR HA A 31 GLU H 1.0 1.8 5.5 924 756 A 28 THR H A 27 ILE HA 1.0 1.8 2.9 925 757 A 30 LYS H A 28 THR HG2% 1.0 2.3 6.5 926 758 A 30 LYS H A 29 THR H 1.0 1.8 3.5 927 759 A 29 THR HA A 29 THR H 1.0 1.8 4.0 928 760 A 29 THR HA A 32 LEU H 1.0 1.8 5.0 929 761 A 28 THR HB A 29 THR H 1.0 1.8 5.0 930 762 A 29 THR HG2% A 49 GLN H 1.0 2.8 5.5 931 763 A 30 LYS H A 29 THR HG2% 1.0 2.8 6.0 932 764 A 29 THR HG2% A 52 ILE H 1.0 2.8 6.5 933 765 A 29 THR H A 29 THR HB 1.0 1.8 5.0 934 766 A 29 THR HG2% A 29 THR H 1.0 1.8 4.5 935 767 A 30 LYS H A 30 LYS HA 1.0 1.8 4.5 936 768 A 33 GLY H A 30 LYS HA 1.0 2.3 4.5 937 769 A 29 THR H A 30 LYS HBx 1.0 2.3 6.0 938 769 A 29 THR H A 30 LYS HBy 1.0 2.3 6.0 939 770 A 30 LYS H A 30 LYS HBx 1.0 1.8 4.0 940 770 A 30 LYS H A 30 LYS HBy 1.0 1.8 4.0 941 771 A 31 GLU H A 32 LEU H 1.0 1.8 5.0 942 772 A 32 LEU HA A 32 LEU H 1.0 1.8 3.5 943 773 A 32 LEU HA A 35 VAL H 1.0 1.8 5.0 944 774 A 32 LEU H A 32 LEU HBx 1.0 1.8 4.0 945 774 A 32 LEU H A 32 LEU HBy 1.0 1.8 4.0 946 775 A 33 GLY H A 32 LEU HBx 1.0 1.8 4.0 947 775 A 33 GLY H A 32 LEU HBy 1.0 1.8 4.0 948 776 A 32 LEU HDy% A 32 LEU H 1.0 2.3 5.0 949 777 A 31 GLU H A 33 GLY H 1.0 1.8 5.0 950 778 A 33 GLY H A 32 LEU H 1.0 1.8 3.5 951 779 A 33 GLY H A 34 THR H 1.0 1.8 3.5 952 780 A 33 GLY H A 48 LEU HDx% 1.0 1.8 6.0 953 781 A 33 GLY H A 48 LEU HDy% 1.0 1.8 6.0 954 782 A 33 GLY H A 33 GLY HAy 1.0 1.8 4.0 955 782 A 33 GLY H A 33 GLY HAx 1.0 1.8 4.0 956 783 A 34 THR H A 33 GLY HAy 1.0 1.8 5.5 957 783 A 34 THR H A 33 GLY HAx 1.0 1.8 5.5 958 784 A 34 THR H A 34 THR HA 1.0 1.8 3.5 959 785 A 33 GLY H A 34 THR HB 1.0 2.8 6.0 960 786 A 34 THR H A 34 THR HB 1.0 1.8 3.5 961 787 A 35 VAL H A 34 THR HB 1.0 1.8 3.5 962 788 A 34 THR H A 34 THR HG2% 1.0 1.8 4.5 963 789 A 35 VAL H A 34 THR HG2% 1.0 1.8 6.0 964 790 A 33 GLY H A 35 VAL H 1.0 1.8 5.0 965 791 A 35 VAL H A 34 THR H 1.0 1.8 3.5 966 792 A 36 MET H A 35 VAL H 1.0 1.8 3.5 967 793 A 35 VAL H A 34 THR HA 1.0 1.8 5.0 968 794 A 35 VAL H A 35 VAL HA 1.0 1.8 5.0 969 795 A 36 MET H A 35 VAL HA 1.0 1.8 5.0 970 796 A 35 VAL HB A 35 VAL H 1.0 1.8 3.5 971 797 A 35 VAL HGy% A 35 VAL H 1.0 1.3 4.5 972 798 A 35 VAL HGy% A 36 MET H 1.0 1.8 6.0 973 799 A 35 VAL HGx% A 35 VAL H 1.0 2.3 5.5 974 800 A 35 VAL HGx% A 36 MET H 1.0 1.8 6.0 975 801 A 36 MET H A 36 MET HBx 1.0 1.8 4.0 976 801 A 36 MET H A 36 MET HBy 1.0 1.8 4.0 977 802 A 36 MET HA A 39 LEU HDx% 1.0 1.8 6.0 978 803 A 36 MET HA A 36 MET H 1.0 1.8 3.5 979 804 A 36 MET H A 36 MET HGx 1.0 1.8 4.0 980 804 A 36 MET H A 36 MET HGy 1.0 1.8 4.0 981 805 A 37 ARG H A 38 SER H 1.0 1.8 3.5 982 806 A 37 ARG H A 34 THR HA 1.0 1.8 5.0 983 807 A 38 SER H A 39 LEU H 1.0 1.8 2.9 984 808 A 40 GLY H A 39 LEU H 1.0 1.8 2.9 985 809 A 41 GLN H A 39 LEU H 1.0 1.8 5.0 986 810 A 39 LEU HA A 39 LEU H 1.0 1.8 3.5 987 811 A 40 GLY H A 39 LEU HBx 1.0 1.8 5.5 988 811 A 39 LEU HBy A 40 GLY H 1.0 1.8 5.5 989 812 A 39 LEU H A 39 LEU HBx 1.0 1.8 4.0 990 812 A 39 LEU HBy A 39 LEU H 1.0 1.8 4.0 991 813 A 39 LEU HDx% A 39 LEU HBx 1.0 1.8 5.0 992 813 A 39 LEU HDx% A 39 LEU HBy 1.0 1.8 5.0 993 814 A 39 LEU HDx% A 39 LEU H 1.0 1.8 6.0 994 815 A 39 LEU HDy% A 39 LEU H 1.0 1.8 6.0 995 816 A 40 GLY H A 40 GLY HAy 1.0 1.8 4.0 996 816 A 40 GLY H A 40 GLY HAx 1.0 1.8 4.0 997 817 A 41 GLN H A 41 GLN HA 1.0 1.8 3.5 998 818 A 41 GLN H A 41 GLN HBx 1.0 1.8 4.0 999 818 A 41 GLN H A 41 GLN HBy 1.0 1.8 4.0 1000 819 A 42 ASN H A 41 GLN HBx 1.0 1.8 5.5 1001 819 A 42 ASN H A 41 GLN HBy 1.0 1.8 5.5 1002 820 A 41 GLN H A 42 ASN H 1.0 1.8 5.0 1003 821 A 42 ASN H A 42 ASN HA 1.0 1.8 5.0 1004 822 A 42 ASN H A 42 ASN HBy 1.0 1.8 5.5 1005 822 A 42 ASN H A 42 ASN HBx 1.0 1.8 5.5 1006 823 A 44 THR H A 44 THR HA 1.0 1.8 5.0 1007 824 A 44 THR HA A 45 GLU H 1.0 1.8 2.9 1008 825 A 44 THR H A 44 THR HB 1.0 1.8 5.0 1009 826 A 44 THR H A 44 THR HG2% 1.0 1.8 4.5 1010 827 A 46 ALA H A 45 GLU H 1.0 1.8 3.5 1011 828 A 45 GLU HA A 45 GLU H 1.0 1.8 3.5 1012 829 A 45 GLU H A 45 GLU HBx 1.0 1.8 4.0 1013 829 A 45 GLU H A 45 GLU HBy 1.0 1.8 4.0 1014 830 A 46 ALA H A 45 GLU HBx 1.0 1.8 4.0 1015 830 A 46 ALA H A 45 GLU HBy 1.0 1.8 4.0 1016 831 A 45 GLU H A 45 GLU HGx 1.0 1.8 5.5 1017 831 A 45 GLU H A 45 GLU HGy 1.0 1.8 5.5 1018 832 A 46 ALA H A 45 GLU HGx 1.0 1.8 5.5 1019 832 A 46 ALA H A 45 GLU HGy 1.0 1.8 5.5 1020 833 A 46 ALA H A 47 GLU H 1.0 1.8 3.5 1021 834 A 46 ALA H A 46 ALA HA 1.0 1.8 3.5 1022 835 A 46 ALA H A 46 ALA HB% 1.0 1.8 4.5 1023 836 A 47 GLU H A 46 ALA HB% 1.0 1.8 4.5 1024 837 A 47 GLU H A 47 GLU HA 1.0 1.8 3.5 1025 838 A 47 GLU H A 47 GLU HBx 1.0 1.8 4.0 1026 838 A 47 GLU HBy A 47 GLU H 1.0 1.8 4.0 1027 839 A 48 LEU HA A 48 LEU H 1.0 1.8 3.5 1028 840 A 48 LEU H A 48 LEU HBy 1.0 1.8 5.5 1029 840 A 48 LEU HBx A 48 LEU H 1.0 1.8 5.5 1030 841 A 48 LEU HDx% A 48 LEU H 1.0 1.8 6.0 1031 842 A 48 LEU HDy% A 33 GLY HAx 1.0 1.8 4.5 1032 843 A 48 LEU HDx% A 33 GLY HAy 1.0 1.8 4.5 1033 844 A 48 LEU HDy% A 48 LEU H 1.0 1.8 6.0 1034 845 A 49 GLN H A 49 GLN HA 1.0 1.8 3.5 1035 846 A 49 GLN HA A 53 ASN H 1.0 1.8 5.0 1036 847 A 49 GLN H A 49 GLN HBy 1.0 1.8 3.5 1037 847 A 49 GLN H A 49 GLN HBx 1.0 1.8 3.5 1038 848 A 49 GLN H A 49 GLN HGx 1.0 1.8 5.0 1039 848 A 49 GLN H A 49 GLN HGy 1.0 1.8 5.0 1040 849 A 50 ASP H A 51 MET H 1.0 1.8 3.5 1041 850 A 50 ASP H A 50 ASP HA 1.0 1.8 3.5 1042 851 A 50 ASP H A 50 ASP HBx 1.0 1.8 4.0 1043 851 A 50 ASP H A 50 ASP HBy 1.0 1.8 4.0 1044 852 A 51 MET H A 51 MET HBx 1.0 1.8 4.0 1045 852 A 51 MET H A 51 MET HBy 1.0 1.8 4.0 1046 853 A 51 MET H A 50 ASP HA 1.0 1.8 3.5 1047 854 A 52 ILE H A 52 ILE HA 1.0 1.8 3.5 1048 855 A 53 ASN H A 52 ILE HA 1.0 1.8 5.0 1049 856 A 52 ILE H A 52 ILE HB 1.0 1.8 3.5 1050 857 A 53 ASN H A 52 ILE HB 1.0 1.8 3.5 1051 858 A 52 ILE H A 52 ILE HG1y 1.0 1.8 4.0 1052 858 A 52 ILE H A 52 ILE HG1x 1.0 1.8 4.0 1053 859 A 53 ASN H A 52 ILE HG1y 1.0 1.8 5.5 1054 859 A 53 ASN H A 52 ILE HG1x 1.0 1.8 5.5 1055 860 A 52 ILE HG2% A 52 ILE H 1.0 1.8 4.5 1056 861 A 52 ILE HG2% A 53 ASN H 1.0 1.8 5.5 1057 862 A 52 ILE H A 53 ASN H 1.0 1.8 3.5 1058 863 A 54 GLU H A 53 ASN H 1.0 1.8 3.5 1059 864 A 53 ASN H A 55 VAL H 1.0 1.8 5.0 1060 865 A 53 ASN HA A 53 ASN H 1.0 1.8 3.5 1061 866 A 53 ASN H A 50 ASP HA 1.0 1.8 5.0 1062 867 A 53 ASN H A 53 ASN HBy 1.0 1.8 4.0 1063 867 A 53 ASN H A 53 ASN HBx 1.0 1.8 4.0 1064 868 A 54 GLU H A 53 ASN HBy 1.0 1.8 5.5 1065 868 A 54 GLU H A 53 ASN HBx 1.0 1.8 5.5 1066 869 A 54 GLU H A 55 VAL H 1.0 1.8 3.5 1067 870 A 54 GLU H A 54 GLU HA 1.0 1.8 3.5 1068 871 A 55 VAL H A 54 GLU HA 1.0 1.8 5.0 1069 872 A 54 GLU H A 54 GLU HBy 1.0 1.8 4.0 1070 872 A 54 GLU H A 54 GLU HBx 1.0 1.8 4.0 1071 873 A 54 GLU H A 54 GLU HGx 1.0 1.8 4.0 1072 873 A 54 GLU H A 54 GLU HGy 1.0 1.8 4.0 1073 874 A 55 VAL H A 56 ASP H 1.0 1.8 2.9 1074 875 A 52 ILE HA A 55 VAL H 1.0 1.8 5.0 1075 876 A 68 PHE HA A 55 VAL HGy% 1.0 2.3 5.5 1076 877 A 55 VAL HGy% A 52 ILE HA 1.0 1.8 6.0 1077 878 A 56 ASP H A 55 VAL HA 1.0 2.8 4.5 1078 879 A 55 VAL H A 55 VAL HA 1.0 1.8 3.5 1079 880 A 55 VAL H A 55 VAL HB 1.0 1.8 5.0 1080 881 A 56 ASP H A 55 VAL HB 1.0 1.8 5.0 1081 882 A 71 MET H A 55 VAL HGx% 1.0 2.8 7.0 1082 883 A 54 GLU H A 55 VAL HGy% 1.0 1.8 6.0 1083 884 A 55 VAL H A 55 VAL HGx% 1.0 1.8 5.0 1084 885 A 55 VAL HGy% A 55 VAL H 1.0 1.8 5.0 1085 886 A 55 VAL HGy% A 56 ASP H 1.0 2.3 5.5 1086 887 A 54 GLU H A 56 ASP H 1.0 1.8 5.0 1087 888 A 56 ASP H A 56 ASP HA 1.0 1.8 3.5 1088 889 A 56 ASP HA A 57 ALA H 1.0 1.8 2.9 1089 890 A 55 VAL H A 56 ASP HBx 1.0 1.8 5.5 1090 890 A 56 ASP HBy A 55 VAL H 1.0 1.8 5.5 1091 891 A 56 ASP H A 56 ASP HBx 1.0 1.8 4.0 1092 891 A 56 ASP HBy A 56 ASP H 1.0 1.8 4.0 1093 892 A 57 ALA H A 57 ALA HA 1.0 1.8 3.5 1094 893 A 58 ASP H A 57 ALA HA 1.0 1.8 5.0 1095 894 A 57 ALA H A 57 ALA HB% 1.0 1.8 4.5 1096 895 A 58 ASP H A 57 ALA HB% 1.0 1.8 6.0 1097 896 A 57 ALA HB% A 58 ASP HA 1.0 1.8 6.0 1098 897 A 58 ASP H A 57 ALA H 1.0 1.8 2.9 1099 898 A 58 ASP H A 59 GLY H 1.0 1.8 2.9 1100 899 A 58 ASP H A 58 ASP HA 1.0 1.8 3.5 1101 900 A 58 ASP H A 58 ASP HBx 1.0 1.8 4.5 1102 900 A 58 ASP H A 58 ASP HBy 1.0 1.8 4.5 1103 901 A 59 GLY H A 58 ASP HBx 1.0 1.8 5.5 1104 901 A 59 GLY H A 58 ASP HBy 1.0 1.8 5.5 1105 902 A 60 ASP H A 59 GLY H 1.0 1.8 2.9 1106 903 A 59 GLY H A 59 GLY HAx 1.0 1.8 4.0 1107 903 A 59 GLY HAy A 59 GLY H 1.0 1.8 4.0 1108 904 A 61 GLY H A 60 ASP H 1.0 1.8 2.9 1109 905 A 61 GLY H A 60 ASP HA 1.0 1.8 5.0 1110 906 A 60 ASP H A 60 ASP HBy 1.0 1.8 4.0 1111 906 A 60 ASP H A 60 ASP HBx 1.0 1.8 4.0 1112 907 A 61 GLY H A 60 ASP HBy 1.0 1.8 5.0 1113 907 A 61 GLY H A 60 ASP HBx 1.0 1.8 5.0 1114 908 A 61 GLY H A 62 THR H 1.0 1.8 2.9 1115 909 A 61 GLY H A 61 GLY HAy 1.0 1.8 4.0 1116 909 A 61 GLY H A 61 GLY HAx 1.0 1.8 4.0 1117 910 A 62 THR H A 61 GLY HAy 1.0 1.8 4.0 1118 910 A 62 THR H A 61 GLY HAx 1.0 1.8 4.0 1119 911 A 62 THR HA A 62 THR H 1.0 1.8 3.5 1120 912 A 62 THR HA A 63 ILE H 1.0 1.8 2.9 1121 913 A 62 THR H A 62 THR HB 1.0 1.8 5.0 1122 914 A 63 ILE H A 62 THR HB 1.0 1.8 3.7 1123 915 A 62 THR HG2% A 63 ILE H 1.0 1.8 6.0 1124 916 A 62 THR HG2% A 62 THR H 1.0 1.8 6.0 1125 917 A 62 THR H A 63 ILE H 1.0 1.8 5.0 1126 918 A 62 THR H A 63 ILE HA 1.0 2.3 5.5 1127 919 A 63 ILE H A 63 ILE HA 1.0 1.8 5.0 1128 920 A 63 ILE HA A 64 ASP H 1.0 1.8 2.9 1129 921 A 27 ILE H A 63 ILE HB 1.0 1.8 5.0 1130 922 A 63 ILE H A 63 ILE HB 1.0 1.8 5.0 1131 923 A 63 ILE HB A 64 ASP H 1.0 2.3 4.5 1132 924 A 63 ILE HD1% A 63 ILE H 1.0 1.8 6.0 1133 925 A 63 ILE HG2% A 63 ILE H 1.0 1.8 5.5 1134 926 A 63 ILE HG2% A 64 ASP H 1.0 1.8 4.5 1135 927 A 63 ILE H A 26 THR HB 1.0 1.8 5.0 1136 928 A 68 PHE H A 64 ASP H 1.0 1.8 5.0 1137 929 A 64 ASP H A 67 GLU H 1.0 1.8 5.0 1138 930 A 64 ASP H A 64 ASP HA 1.0 1.8 5.0 1139 931 A 16 PHE HZ A 64 ASP HA 1.0 1.8 5.5 1140 932 A 16 PHE HEx A 64 ASP HA 1.0 1.8 5.0 1141 933 A 26 THR HG2% A 64 ASP HA 1.0 1.8 5.0 1142 934 A 26 THR HB A 64 ASP HA 1.0 1.8 5.0 1143 935 A 64 ASP H A 64 ASP HBx 1.0 1.8 4.0 1144 935 A 64 ASP H A 64 ASP HBy 1.0 1.8 4.0 1145 936 A 65 PHE H A 64 ASP HBx 1.0 1.8 4.0 1146 936 A 65 PHE H A 64 ASP HBy 1.0 1.8 4.0 1147 937 A 65 PHE H A 64 ASP HA 1.0 1.8 2.9 1148 938 A 65 PHE H A 65 PHE HBx 1.0 1.8 4.0 1149 938 A 65 PHE H A 65 PHE HBy 1.0 1.8 4.0 1150 939 A 68 PHE H A 67 GLU H 1.0 1.8 3.5 1151 940 A 69 LEU H A 68 PHE H 1.0 1.8 3.5 1152 941 A 68 PHE HA A 68 PHE H 1.0 1.8 3.5 1153 942 A 69 LEU H A 68 PHE HA 1.0 1.8 5.0 1154 943 A 68 PHE H A 68 PHE HBx 1.0 1.8 5.0 1155 943 A 68 PHE HBy A 68 PHE H 1.0 1.8 5.0 1156 944 A 70 THR H A 69 LEU H 1.0 1.8 3.5 1157 945 A 69 LEU H A 69 LEU HA 1.0 1.8 5.0 1158 946 A 69 LEU HA A 72 MET H 1.0 1.8 5.0 1159 947 A 69 LEU H A 69 LEU HBx 1.0 1.8 4.0 1160 947 A 69 LEU H A 69 LEU HBy 1.0 1.8 4.0 1161 948 A 69 LEU H A 69 LEU HBx 1.0 1.8 4.5 1162 948 A 69 LEU H A 69 LEU HBy 1.0 1.8 4.5 1163 949 A 69 LEU H A 69 LEU HDx% 1.0 1.8 6.0 1164 950 A 69 LEU HDy% A 69 LEU H 1.0 1.8 6.0 1165 951 A 69 LEU H A 69 LEU HG 1.0 1.8 4.0 1166 952 A 70 THR H A 71 MET H 1.0 1.8 3.5 1167 953 A 70 THR H A 69 LEU HA 1.0 1.8 5.0 1168 954 A 70 THR H A 69 LEU HBx 1.0 1.8 6.0 1169 954 A 70 THR H A 69 LEU HBy 1.0 1.8 6.0 1170 955 A 70 THR H A 70 THR HA 1.0 1.8 3.5 1171 956 A 70 THR HA A 71 MET H 1.0 1.8 5.0 1172 957 A 70 THR HA A 73 ALA H 1.0 1.8 5.0 1173 958 A 70 THR H A 70 THR HB 1.0 1.8 3.5 1174 959 A 70 THR HB A 71 MET H 1.0 1.8 3.5 1175 960 A 70 THR H A 70 THR HG2% 1.0 1.8 6.0 1176 961 A 71 MET H A 70 THR HG2% 1.0 1.8 6.0 1177 962 A 71 MET H A 72 MET H 1.0 1.8 3.5 1178 963 A 71 MET H A 73 ALA H 1.0 1.8 5.0 1179 964 A 71 MET H A 71 MET HA 1.0 1.8 3.5 1180 965 A 72 MET H A 71 MET HA 1.0 1.8 5.0 1181 966 A 73 ALA H A 71 MET HA 1.0 1.8 5.0 1182 967 A 71 MET H A 71 MET HBx 1.0 1.8 4.5 1183 967 A 71 MET HBy A 71 MET H 1.0 1.8 4.5 1184 968 A 72 MET H A 73 ALA H 1.0 1.8 3.5 1185 969 A 72 MET H A 72 MET HA 1.0 1.8 3.5 1186 970 A 73 ALA H A 72 MET HA 1.0 1.8 5.0 1187 971 A 73 ALA HA A 73 ALA H 1.0 1.8 3.5 1188 972 A 73 ALA HB% A 73 ALA H 1.0 1.8 4.5 1189 973 A 76 MET H A 77 LYS H 1.0 1.8 3.5 1190 974 A 77 LYS H A 77 LYS HA 1.0 1.8 3.5 1191 975 A 77 LYS H A 77 LYS HBy 1.0 1.8 4.0 1192 975 A 77 LYS H A 77 LYS HBx 1.0 1.8 4.0 1193 976 A 77 LYS H A 77 LYS HGx 1.0 1.8 6.0 1194 976 A 77 LYS H A 77 LYS HGy 1.0 1.8 6.0 1195 977 A 77 LYS H A 78 ASP H 1.0 1.8 3.5 1196 978 A 79 THR H A 78 ASP H 1.0 1.8 5.0 1197 979 A 78 ASP H A 78 ASP HBx 1.0 1.8 4.0 1198 979 A 78 ASP HBy A 78 ASP H 1.0 1.8 4.0 1199 980 A 79 THR H A 80 ASP H 1.0 1.8 5.0 1200 981 A 81 SER H A 80 ASP H 1.0 2.3 4.5 1201 982 A 79 THR H A 78 ASP HA 1.0 2.3 4.0 1202 983 A 79 THR H A 78 ASP HBx 1.0 1.8 4.0 1203 983 A 79 THR H A 78 ASP HBy 1.0 1.8 4.0 1204 984 A 79 THR H A 79 THR HA 1.0 1.8 3.5 1205 985 A 80 ASP H A 79 THR HA 1.0 1.8 5.0 1206 986 A 80 ASP H A 79 THR HB 1.0 1.8 5.0 1207 987 A 79 THR H A 79 THR HB 1.0 1.8 5.0 1208 988 A 79 THR H A 79 THR HG2% 1.0 1.8 4.5 1209 989 A 80 ASP H A 79 THR HG2% 1.0 1.8 6.0 1210 990 A 80 ASP H A 80 ASP HBy 1.0 1.8 5.5 1211 990 A 80 ASP H A 80 ASP HBx 1.0 1.8 5.5 1212 991 A 81 SER H A 80 ASP HBy 1.0 2.3 5.0 1213 991 A 81 SER H A 80 ASP HBx 1.0 2.3 5.0 1214 992 A 81 SER H A 81 SER HBx 1.0 1.8 4.0 1215 992 A 81 SER H A 81 SER HBy 1.0 1.8 4.0 1216 993 A 81 SER HA A 81 SER H 1.0 1.8 3.0 1217 994 A 82 GLU H A 82 GLU HBx 1.0 1.8 4.0 1218 994 A 82 GLU H A 82 GLU HBy 1.0 1.8 4.0 1219 995 A 82 GLU H A 82 GLU HGx 1.0 1.8 5.0 1220 995 A 82 GLU H A 82 GLU HGy 1.0 1.8 5.0 1221 996 A 85 ILE HA A 88 ALA H 1.0 1.8 5.0 1222 997 A 85 ILE H A 85 ILE HB 1.0 1.8 3.5 1223 998 A 86 ARG H A 85 ILE HB 1.0 1.8 3.5 1224 999 A 85 ILE HA A 85 ILE H 1.0 1.8 3.5 1225 1000 A 85 ILE HD1% A 85 ILE H 1.0 1.8 4.5 1226 1001 A 85 ILE HG2% A 85 ILE H 1.0 1.8 4.5 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 58 ASP OD2 5 1 TB TB 1.0 2.0 3.5 2 2 5 1 TB TB A 58 ASP OD1 1.0 3.0 6.0 3 3 5 1 TB TB A 60 ASP OD1 1.0 1.8 3.2 4 4 5 1 TB TB A 60 ASP OD2 1.0 1.8 3.2 5 5 5 1 TB TB A 67 GLU OE1 1.0 1.8 3.2 6 6 5 1 TB TB A 67 GLU OE2 1.0 1.8 3.2 7 7 5 1 TB TB A 64 ASP OD2 1.0 1.8 6.0 8 8 5 1 TB TB A 64 ASP OD1 1.0 2.0 4.0 9 9 5 1 TB TB A 56 ASP OD1 1.0 2.0 3.5 10 10 5 1 TB TB A 56 ASP OD2 1.0 3.0 6.0 11 11 5 1 TB TB A 62 THR O 1.0 1.8 3.2 12 12 A 56 ASP HA 5 1 TB TB 1.0 1.8 5.5 13 13 A 57 ALA H 5 1 TB TB 1.0 1.8 5.5 14 14 A 58 ASP H 5 1 TB TB 1.0 1.8 5.5 15 15 5 1 TB TB A 58 ASP HBx 1.0 1.8 5.5 16 16 A 60 ASP H 5 1 TB TB 1.0 1.8 5.5 17 17 A 61 GLY H 5 1 TB TB 1.0 1.8 5.5 18 18 5 1 TB TB A 60 ASP HBy 1.0 1.8 5.5 19 19 A 60 ASP HBx 5 1 TB TB 1.0 1.8 5.5 20 20 A 62 THR H 5 1 TB TB 1.0 1.8 5.5 21 21 5 1 TB TB A 62 THR HG1 1.0 1.8 5.5 22 22 A 64 ASP H 5 1 TB TB 1.0 1.8 5.5 23 23 5 1 TB TB A 64 ASP HBx 1.0 1.8 5.5 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 27 ILE H A 63 ILE O 1.0 1.8 2.7 2 2 A 63 ILE O A 27 ILE N 1.0 1.8 3.7 3 3 A 63 ILE H A 27 ILE O 1.0 1.8 2.7 4 4 A 27 ILE O A 63 ILE N 1.0 1.8 3.7 5 5 A 100 ILE H A 136 VAL O 1.0 1.8 2.7 6 6 A 136 VAL O A 100 ILE N 1.0 1.8 3.7 7 7 A 136 VAL H A 100 ILE O 1.0 1.8 2.7 8 8 A 100 ILE O A 136 VAL N 1.0 1.8 3.7 9 9 A 6 GLU O A 10 ALA N 1.0 2.3 3.7 10 10 A 10 ALA H A 6 GLU O 1.0 1.3 2.7 11 11 A 7 GLU O A 11 GLU N 1.0 2.3 3.7 12 12 A 11 GLU H A 7 GLU O 1.0 1.3 2.7 13 13 A 8 GLN O A 12 PHE N 1.0 2.3 3.7 14 14 A 12 PHE H A 8 GLN O 1.0 1.3 2.7 15 15 A 9 ILE O A 13 LYS N 1.0 2.3 3.7 16 16 A 13 LYS H A 9 ILE O 1.0 1.3 2.7 17 17 A 10 ALA O A 14 GLU N 1.0 2.3 3.7 18 18 A 14 GLU H A 10 ALA O 1.0 1.3 2.7 19 19 A 11 GLU O A 15 ALA N 1.0 2.3 3.7 20 20 A 15 ALA H A 11 GLU O 1.0 1.3 2.7 21 21 A 12 PHE O A 16 PHE N 1.0 2.3 3.7 22 22 A 16 PHE H A 12 PHE O 1.0 1.3 2.7 23 23 A 13 LYS O A 17 SER N 1.0 2.3 3.7 24 24 A 17 SER H A 13 LYS O 1.0 1.3 2.7 25 25 A 14 GLU O A 18 LEU N 1.0 2.3 3.7 26 26 A 18 LEU H A 14 GLU O 1.0 1.3 2.7 27 27 A 15 ALA O A 19 PHE N 1.0 2.3 3.7 28 28 A 19 PHE H A 15 ALA O 1.0 1.3 2.7 29 29 A 28 THR O A 32 LEU N 1.0 2.3 3.7 30 30 A 32 LEU H A 28 THR O 1.0 1.3 2.7 31 31 A 29 THR O A 33 GLY N 1.0 2.3 3.7 32 32 A 33 GLY H A 29 THR O 1.0 1.3 2.7 33 33 A 30 LYS O A 34 THR N 1.0 2.3 3.7 34 34 A 34 THR H A 30 LYS O 1.0 1.3 2.7 35 35 A 31 GLU O A 35 VAL N 1.0 2.3 3.7 36 36 A 35 VAL H A 31 GLU O 1.0 1.3 2.7 37 37 A 34 THR O A 38 SER N 1.0 2.3 3.7 38 38 A 38 SER H A 34 THR O 1.0 1.3 2.7 39 39 A 32 LEU O A 36 MET N 1.0 2.3 3.7 40 40 A 36 MET H A 32 LEU O 1.0 1.3 2.7 41 41 A 33 GLY O A 37 ARG N 1.0 2.3 3.7 42 42 A 37 ARG H A 33 GLY O 1.0 1.3 2.7 43 43 A 35 VAL O A 39 LEU N 1.0 2.3 3.7 44 44 A 39 LEU H A 35 VAL O 1.0 1.3 2.7 45 45 A 44 THR O A 48 LEU N 1.0 2.3 3.7 46 46 A 48 LEU H A 44 THR O 1.0 1.3 2.7 47 47 A 45 GLU O A 49 GLN N 1.0 2.3 3.7 48 48 A 49 GLN H A 45 GLU O 1.0 1.3 2.7 49 49 A 46 ALA O A 50 ASP N 1.0 2.3 3.7 50 50 A 50 ASP H A 46 ALA O 1.0 1.3 2.7 51 51 A 47 GLU O A 51 MET N 1.0 2.3 3.7 52 52 A 51 MET H A 47 GLU O 1.0 1.3 2.7 53 53 A 48 LEU O A 52 ILE N 1.0 2.3 3.7 54 54 A 52 ILE H A 48 LEU O 1.0 1.3 2.7 55 55 A 49 GLN O A 53 ASN N 1.0 2.3 3.7 56 56 A 53 ASN H A 49 GLN O 1.0 1.3 2.7 57 57 A 50 ASP O A 54 GLU N 1.0 2.3 3.7 58 58 A 54 GLU H A 50 ASP O 1.0 1.3 2.7 59 59 A 65 PHE O A 69 LEU N 1.0 2.3 3.7 60 60 A 69 LEU H A 65 PHE O 1.0 1.3 2.7 61 61 A 66 PRO O A 70 THR N 1.0 2.3 3.7 62 62 A 70 THR H A 66 PRO O 1.0 1.3 2.7 63 63 A 67 GLU O A 71 MET N 1.0 2.3 3.7 64 64 A 71 MET H A 67 GLU O 1.0 1.3 2.7 65 65 A 68 PHE O A 72 MET N 1.0 2.3 3.7 66 66 A 72 MET H A 68 PHE O 1.0 1.3 2.7 67 67 A 69 LEU O A 73 ALA N 1.0 2.3 3.7 68 68 A 73 ALA H A 69 LEU O 1.0 1.3 2.7 69 69 A 70 THR O A 74 ARG N 1.0 2.3 3.7 70 70 A 70 THR O A 74 ARG H 1.0 1.3 2.7 71 71 A 71 MET O A 75 LYS N 1.0 2.3 3.7 72 72 A 71 MET O A 75 LYS H 1.0 1.3 2.7 73 73 A 72 MET O A 76 MET N 1.0 2.3 3.7 74 74 A 76 MET H A 72 MET O 1.0 1.3 2.7 75 75 A 83 GLU O A 87 GLU N 1.0 2.3 3.7 76 76 A 87 GLU H A 83 GLU O 1.0 1.3 2.7 77 77 A 84 GLU O A 88 ALA N 1.0 2.3 3.7 78 78 A 88 ALA H A 84 GLU O 1.0 1.3 2.7 79 79 A 85 ILE O A 89 PHE N 1.0 2.3 3.7 80 80 A 89 PHE H A 85 ILE O 1.0 1.3 2.7 81 81 A 86 ARG O A 90 ARG N 1.0 2.3 3.7 82 82 A 90 ARG H A 86 ARG O 1.0 1.3 2.7 83 83 A 87 GLU O A 91 VAL N 1.0 2.3 3.7 84 84 A 91 VAL H A 87 GLU O 1.0 1.3 2.7 85 85 A 88 ALA O A 92 PHE N 1.0 2.3 4.0 86 86 A 92 PHE H A 88 ALA O 1.0 1.3 3.0 87 87 A 89 PHE O A 93 ASP N 1.0 2.3 3.7 88 88 A 93 ASP H A 89 PHE O 1.0 1.3 2.7 89 89 A 102 ALA O A 106 ARG N 1.0 2.3 3.7 90 90 A 106 ARG H A 102 ALA O 1.0 1.3 2.7 91 91 A 103 ALA O A 107 HIS N 1.0 2.3 3.7 92 92 A 107 HIS H A 103 ALA O 1.0 1.3 2.7 93 93 A 104 GLU O A 108 VAL N 1.0 2.3 3.7 94 94 A 108 VAL H A 104 GLU O 1.0 1.3 2.7 95 95 A 105 LEU O A 109 MET N 1.0 2.3 3.7 96 96 A 109 MET H A 105 LEU O 1.0 1.3 2.7 97 97 A 106 ARG O A 110 THR N 1.0 2.3 3.7 98 98 A 110 THR H A 106 ARG O 1.0 1.3 2.7 99 99 A 107 HIS O A 111 ASN N 1.0 2.3 3.7 100 100 A 111 ASN H A 107 HIS O 1.0 1.3 2.7 101 101 A 108 VAL O A 112 LEU N 1.0 2.3 3.7 102 102 A 112 LEU H A 108 VAL O 1.0 1.3 2.7 103 103 A 117 THR O A 121 VAL N 1.0 2.3 3.7 104 104 A 121 VAL H A 117 THR O 1.0 1.3 2.7 105 105 A 118 ASP O A 122 ASP N 1.0 2.3 3.7 106 106 A 122 ASP H A 118 ASP O 1.0 1.3 2.7 107 107 A 119 GLU O A 123 GLU N 1.0 2.3 3.7 108 108 A 123 GLU H A 119 GLU O 1.0 1.3 2.7 109 109 A 120 GLU O A 124 MET N 1.0 2.3 3.7 110 110 A 124 MET H A 120 GLU O 1.0 1.3 2.7 111 111 A 121 VAL O A 125 ILE N 1.0 2.3 3.7 112 112 A 125 ILE H A 121 VAL O 1.0 1.3 2.7 113 113 A 122 ASP O A 126 ARG N 1.0 2.3 3.7 114 114 A 126 ARG H A 122 ASP O 1.0 1.3 2.7 115 115 A 123 GLU O A 127 GLU N 1.0 2.3 3.7 116 116 A 127 GLU H A 123 GLU O 1.0 1.3 2.7 117 117 A 124 MET O A 128 ALA N 1.0 2.3 3.7 118 118 A 128 ALA H A 124 MET O 1.0 1.3 2.7 119 119 A 125 ILE O A 129 ASP N 1.0 2.3 3.7 120 120 A 129 ASP H A 125 ILE O 1.0 1.3 2.7 121 121 A 137 ASN O A 141 PHE N 1.0 2.3 3.7 122 122 A 141 PHE H A 137 ASN O 1.0 1.3 2.7 123 123 A 138 TYR O A 142 VAL N 1.0 2.3 3.7 124 124 A 142 VAL H A 138 TYR O 1.0 1.3 2.7 125 125 A 139 GLU O A 143 GLN N 1.0 2.8 4.2 126 126 A 143 GLN H A 139 GLU O 1.0 1.8 3.2 127 127 A 140 GLU O A 144 MET N 1.0 2.8 4.2 128 128 A 144 MET H A 140 GLU O 1.0 1.3 2.7 129 129 A 141 PHE O A 145 MET N 1.0 2.8 4.2 130 130 A 145 MET H A 141 PHE O 1.0 1.3 2.7 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 19 PHE C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -99.8 -68.2 PHI 2 2 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 LYS N 1.0 68.2 99.8 PSI 3 3 A 20 ASP C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -83.4 -43.0 PHI 4 4 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 ASP N 1.0 -59.7 -19.7 PSI 5 5 A 21 LYS C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -113.4 -72.6 PHI 6 6 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 GLY N 1.0 -15.0 25.0 PSI 7 7 A 22 ASP C A 23 GLY N A 23 GLY CA A 23 GLY C 1.0 48.5 78.5 PHI 8 8 A 23 GLY N A 23 GLY CA A 23 GLY C A 24 ASP N 1.0 12.5 44.1 PSI 9 9 A 23 GLY C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -105.7 -64.3 PHI 10 10 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 GLY N 1.0 -30.4 10.4 PSI 11 11 A 24 ASP C A 25 GLY N A 25 GLY CA A 25 GLY C 1.0 74.9 105.1 PHI 12 12 A 25 GLY N A 25 GLY CA A 25 GLY C A 26 THR N 1.0 -5.0 25.0 PSI 13 13 A 92 PHE C A 93 ASP N A 93 ASP CA A 93 ASP C 1.0 -99.0 -69.0 PHI 14 14 A 92 PHE C A 93 ASP N A 93 ASP CA A 93 ASP C 1.0 -117.0 -37.0 PHI 15 15 A 93 ASP N A 93 ASP CA A 93 ASP C A 94 LYS N 1.0 69.0 99.0 PSI 16 16 A 93 ASP N A 93 ASP CA A 93 ASP C A 94 LYS N 1.0 33.3 123.3 PSI 17 17 A 93 ASP C A 94 LYS N A 94 LYS CA A 94 LYS C 1.0 -83.0 -43.0 PHI 18 18 A 94 LYS N A 94 LYS CA A 94 LYS C A 95 ASP N 1.0 -58.7 -18.7 PSI 19 19 A 94 LYS C A 95 ASP N A 95 ASP CA A 95 ASP C 1.0 -115.7 -75.5 PHI 20 20 A 95 ASP N A 95 ASP CA A 95 ASP C A 96 GLY N 1.0 -18.0 22.0 PSI 21 21 A 95 ASP C A 96 GLY N A 96 GLY CA A 96 GLY C 1.0 20.0 60.0 PHI 22 22 A 96 GLY N A 96 GLY CA A 96 GLY C A 97 ASN N 1.0 9.7 50.3 PSI 23 23 A 96 GLY C A 97 ASN N A 97 ASN CA A 97 ASN C 1.0 -100.5 -59.5 PHI 24 24 A 97 ASN N A 97 ASN CA A 97 ASN C A 98 GLY N 1.0 -30.8 10.2 PSI 25 25 A 97 ASN C A 98 GLY N A 98 GLY CA A 98 GLY C 1.0 65.0 105.0 PHI 26 26 A 98 GLY N A 98 GLY CA A 98 GLY C A 99 TYR N 1.0 -10.0 30.0 PSI 27 27 A 55 VAL C A 56 ASP N A 56 ASP CA A 56 ASP C 1.0 -107.6 -66.8 PHI 28 28 A 56 ASP N A 56 ASP CA A 56 ASP C A 57 ALA N 1.0 70.1 111.9 PSI 29 29 A 56 ASP C A 57 ALA N A 57 ALA CA A 57 ALA C 1.0 -83.3 -42.9 PHI 30 30 A 57 ALA N A 57 ALA CA A 57 ALA C A 58 ASP N 1.0 -53.9 -13.9 PSI 31 31 A 57 ALA C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -116.7 -76.7 PHI 32 32 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 GLY N 1.0 -11.0 29.0 PSI 33 33 A 58 ASP C A 59 GLY N A 59 GLY CA A 59 GLY C 1.0 44.1 84.3 PHI 34 34 A 59 GLY N A 59 GLY CA A 59 GLY C A 60 ASP N 1.0 9.9 50.1 PSI 35 35 A 59 GLY C A 60 ASP N A 60 ASP CA A 60 ASP C 1.0 -100.7 -59.3 PHI 36 36 A 60 ASP N A 60 ASP CA A 60 ASP C A 61 GLY N 1.0 -30.4 10.4 PSI 37 37 A 60 ASP C A 61 GLY N A 61 GLY CA A 61 GLY C 1.0 65.7 105.7 PHI 38 38 A 61 GLY N A 61 GLY CA A 61 GLY C A 62 THR N 1.0 -10.1 30.1 PSI 39 39 A 128 ALA C A 129 ASP N A 129 ASP CA A 129 ASP C 1.0 -91.1 -60.9 PHI 40 40 A 129 ASP N A 129 ASP CA A 129 ASP C A 130 ILE N 1.0 92.8 133.2 PSI 41 41 A 129 ASP C A 130 ILE N A 130 ILE CA A 130 ILE C 1.0 -79.0 -49.0 PHI 42 42 A 130 ILE N A 130 ILE CA A 130 ILE C A 131 ASP N 1.0 -50.2 -20.2 PSI 43 43 A 130 ILE C A 131 ASP N A 131 ASP CA A 131 ASP C 1.0 -110.1 -70.1 PHI 44 44 A 131 ASP N A 131 ASP CA A 131 ASP C A 132 GLY N 1.0 -17.7 23.7 PSI 45 45 A 131 ASP C A 132 GLY N A 132 GLY CA A 132 GLY C 1.0 30.0 70.0 PHI 46 46 A 132 GLY N A 132 GLY CA A 132 GLY C A 133 ASP N 1.0 29.6 70.4 PSI 47 47 A 132 GLY C A 133 ASP N A 133 ASP CA A 133 ASP C 1.0 -100.9 -59.5 PHI 48 48 A 133 ASP N A 133 ASP CA A 133 ASP C A 134 GLY N 1.0 -30.4 10.4 PSI 49 49 A 133 ASP C A 134 GLY N A 134 GLY CA A 134 GLY C 1.0 65.0 105.0 PHI 50 50 A 134 GLY N A 134 GLY CA A 134 GLY C A 135 GLN N 1.0 -16.0 24.0 PSI 51 51 A 25 GLY C A 26 THR N A 26 THR CA A 26 THR C 1.0 -148.7 -117.7 PHI 52 52 A 26 THR N A 26 THR CA A 26 THR C A 27 ILE N 1.0 136.8 166.8 PSI 53 53 A 26 THR C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -127.1 -86.5 PHI 54 54 A 27 ILE N A 27 ILE CA A 27 ILE C A 28 THR N 1.0 105.9 145.9 PSI 55 55 A 27 ILE C A 28 THR N A 28 THR CA A 28 THR C 1.0 -111.2 -69.4 PHI 56 56 A 28 THR N A 28 THR CA A 28 THR C A 29 THR N 1.0 145.3 175.3 PSI 57 57 A 61 GLY C A 62 THR N A 62 THR CA A 62 THR C 1.0 -157.5 -116.9 PHI 58 58 A 62 THR N A 62 THR CA A 62 THR C A 63 ILE N 1.0 137.2 178.6 PSI 59 59 A 62 THR C A 63 ILE N A 63 ILE CA A 63 ILE C 1.0 -135.5 -95.1 PHI 60 60 A 63 ILE N A 63 ILE CA A 63 ILE C A 64 ASP N 1.0 101.3 141.3 PSI 61 61 A 63 ILE C A 64 ASP N A 64 ASP CA A 64 ASP C 1.0 -120.0 -78.8 PHI 62 62 A 64 ASP N A 64 ASP CA A 64 ASP C A 65 PHE N 1.0 145.8 187.2 PSI 63 63 A 98 GLY C A 99 TYR N A 99 TYR CA A 99 TYR C 1.0 -160.0 -120.0 PHI 64 64 A 99 TYR N A 99 TYR CA A 99 TYR C A 100 ILE N 1.0 135.3 176.1 PSI 65 65 A 99 TYR C A 100 ILE N A 100 ILE CA A 100 ILE C 1.0 -122.0 -82.0 PHI 66 66 A 100 ILE N A 100 ILE CA A 100 ILE C A 101 SER N 1.0 99.3 140.1 PSI 67 67 A 100 ILE C A 101 SER N A 101 SER CA A 101 SER C 1.0 -109.6 -67.8 PHI 68 68 A 101 SER N A 101 SER CA A 101 SER C A 102 ALA N 1.0 151.9 191.9 PSI 69 69 A 134 GLY C A 135 GLN N A 135 GLN CA A 135 GLN C 1.0 -160.6 -120.6 PHI 70 70 A 135 GLN N A 135 GLN CA A 135 GLN C A 136 VAL N 1.0 135.0 175.0 PSI 71 71 A 135 GLN C A 136 VAL N A 136 VAL CA A 136 VAL C 1.0 -128.3 -87.5 PHI 72 72 A 136 VAL N A 136 VAL CA A 136 VAL C A 137 ASN N 1.0 100.9 141.9 PSI 73 73 A 136 VAL C A 137 ASN N A 137 ASN CA A 137 ASN C 1.0 -109.1 -67.9 PHI 74 74 A 137 ASN N A 137 ASN CA A 137 ASN C A 138 TYR N 1.0 159.9 189.9 PSI 75 75 A 3 GLN C A 4 LEU N A 4 LEU CA A 4 LEU C 1.0 -129.4 -66.6 PHI 76 76 A 4 LEU N A 4 LEU CA A 4 LEU C A 5 THR N 1.0 117.0 177.0 PSI 77 77 A 4 LEU C A 5 THR N A 5 THR CA A 5 THR C 1.0 -128.3 -47.1 PHI 78 78 A 5 THR N A 5 THR CA A 5 THR C A 6 GLU N 1.0 132.8 192.8 PSI 79 79 A 5 THR C A 6 GLU N A 6 GLU CA A 6 GLU C 1.0 -89.6 -29.6 PHI 80 80 A 6 GLU N A 6 GLU CA A 6 GLU C A 7 GLU N 1.0 -66.0 -6.0 PSI 81 81 A 6 GLU C A 7 GLU N A 7 GLU CA A 7 GLU C 1.0 -93.7 -33.7 PHI 82 82 A 7 GLU N A 7 GLU CA A 7 GLU C A 8 GLN N 1.0 -72.9 -12.9 PSI 83 83 A 7 GLU C A 8 GLN N A 8 GLN CA A 8 GLN C 1.0 -105.7 -34.7 PHI 84 84 A 8 GLN N A 8 GLN CA A 8 GLN C A 9 ILE N 1.0 -67.9 -7.1 PSI 85 85 A 8 GLN C A 9 ILE N A 9 ILE CA A 9 ILE C 1.0 -92.4 -32.4 PHI 86 86 A 9 ILE N A 9 ILE CA A 9 ILE C A 10 ALA N 1.0 -74.2 -14.2 PSI 87 87 A 9 ILE C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -93.8 -33.8 PHI 88 88 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 GLU N 1.0 -69.3 -9.3 PSI 89 89 A 10 ALA C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -94.1 -34.1 PHI 90 90 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 PHE N 1.0 -70.1 -10.1 PSI 91 91 A 11 GLU C A 12 PHE N A 12 PHE CA A 12 PHE C 1.0 -101.0 -41.0 PHI 92 92 A 12 PHE N A 12 PHE CA A 12 PHE C A 13 LYS N 1.0 -60.0 0.0 PSI 93 93 A 12 PHE C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -97.0 -37.0 PHI 94 94 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 GLU N 1.0 -67.7 -7.7 PSI 95 95 A 13 LYS C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -95.4 -35.4 PHI 96 96 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 ALA N 1.0 -71.9 -11.9 PSI 97 97 A 14 GLU C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -95.1 -35.1 PHI 98 98 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 PHE N 1.0 -68.2 -8.2 PSI 99 99 A 15 ALA C A 16 PHE N A 16 PHE CA A 16 PHE C 1.0 -92.8 -32.8 PHI 100 100 A 16 PHE N A 16 PHE CA A 16 PHE C A 17 SER N 1.0 -70.1 -10.1 PSI 101 101 A 16 PHE C A 17 SER N A 17 SER CA A 17 SER C 1.0 -90.3 -30.3 PHI 102 102 A 17 SER N A 17 SER CA A 17 SER C A 18 LEU N 1.0 -71.6 -11.6 PSI 103 103 A 17 SER C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -100.4 -40.4 PHI 104 104 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 PHE N 1.0 -61.1 -1.1 PSI 105 105 A 18 LEU C A 19 PHE N A 19 PHE CA A 19 PHE C 1.0 -107.8 -47.8 PHI 106 106 A 19 PHE N A 19 PHE CA A 19 PHE C A 20 ASP N 1.0 -71.1 0.7 PSI 107 107 A 28 THR C A 29 THR N A 29 THR CA A 29 THR C 1.0 -91.3 -31.3 PHI 108 108 A 29 THR N A 29 THR CA A 29 THR C A 30 LYS N 1.0 -66.2 -6.2 PSI 109 109 A 29 THR C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -95.8 -35.8 PHI 110 110 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 GLU N 1.0 -68.4 -8.4 PSI 111 111 A 30 LYS C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -95.3 -35.3 PHI 112 112 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 LEU N 1.0 -72.4 -12.4 PSI 113 113 A 31 GLU C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -95.6 -35.6 PHI 114 114 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 GLY N 1.0 -69.8 -9.8 PSI 115 115 A 32 LEU C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 -94.1 -34.1 PHI 116 116 A 33 GLY N A 33 GLY CA A 33 GLY C A 34 THR N 1.0 -71.4 -11.4 PSI 117 117 A 33 GLY C A 34 THR N A 34 THR CA A 34 THR C 1.0 -93.8 -33.8 PHI 118 118 A 34 THR N A 34 THR CA A 34 THR C A 35 VAL N 1.0 -69.0 -9.0 PSI 119 119 A 34 THR C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -94.3 -34.3 PHI 120 120 A 35 VAL N A 35 VAL CA A 35 VAL C A 36 MET N 1.0 -72.3 -12.3 PSI 121 121 A 35 VAL C A 36 MET N A 36 MET CA A 36 MET C 1.0 -95.6 -35.6 PHI 122 122 A 36 MET N A 36 MET CA A 36 MET C A 37 ARG N 1.0 -72.4 -12.4 PSI 123 123 A 36 MET C A 37 ARG N A 37 ARG CA A 37 ARG C 1.0 -94.5 -34.5 PHI 124 124 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 SER N 1.0 -69.2 -9.2 PSI 125 125 A 37 ARG C A 38 SER N A 38 SER CA A 38 SER C 1.0 -96.0 -36.0 PHI 126 126 A 38 SER N A 38 SER CA A 38 SER C A 39 LEU N 1.0 -59.8 0.2 PSI 127 127 A 38 SER C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -119.0 -59.0 PHI 128 128 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 GLY N 1.0 -25.5 34.5 PSI 129 129 A 39 LEU C A 40 GLY N A 40 GLY CA A 40 GLY C 1.0 37.2 127.4 PHI 130 130 A 40 GLY N A 40 GLY CA A 40 GLY C A 41 GLN N 1.0 -31.2 53.4 PSI 131 131 A 40 GLY C A 41 GLN N A 41 GLN CA A 41 GLN C 1.0 -147.9 -50.9 PHI 132 132 A 41 GLN N A 41 GLN CA A 41 GLN C A 42 ASN N 1.0 123.7 183.7 PSI 133 133 A 42 ASN C A 43 PRO N A 43 PRO CA A 43 PRO C 1.0 -96.6 -36.6 PHI 134 134 A 43 PRO N A 43 PRO CA A 43 PRO C A 44 THR N 1.0 121.1 181.1 PSI 135 135 A 43 PRO C A 44 THR N A 44 THR CA A 44 THR C 1.0 -134.1 -64.5 PHI 136 136 A 44 THR N A 44 THR CA A 44 THR C A 45 GLU N 1.0 88.0 210.0 PSI 137 137 A 44 THR C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -89.3 -29.3 PHI 138 138 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 ALA N 1.0 -65.4 -5.4 PSI 139 139 A 45 GLU C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -93.6 -33.6 PHI 140 140 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 GLU N 1.0 -68.9 -8.9 PSI 141 141 A 46 ALA C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -95.0 -35.0 PHI 142 142 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 LEU N 1.0 -70.8 -10.8 PSI 143 143 A 47 GLU C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -102.7 -38.1 PHI 144 144 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 GLN N 1.0 -68.9 0.1 PSI 145 145 A 48 LEU C A 49 GLN N A 49 GLN CA A 49 GLN C 1.0 -93.9 -33.9 PHI 146 146 A 49 GLN N A 49 GLN CA A 49 GLN C A 50 ASP N 1.0 -71.1 -11.1 PSI 147 147 A 49 GLN C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -97.0 -37.0 PHI 148 148 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 MET N 1.0 -65.8 -5.8 PSI 149 149 A 50 ASP C A 51 MET N A 51 MET CA A 51 MET C 1.0 -95.4 -35.4 PHI 150 150 A 51 MET N A 51 MET CA A 51 MET C A 52 ILE N 1.0 -71.2 -11.2 PSI 151 151 A 51 MET C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -99.0 -39.0 PHI 152 152 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 ASN N 1.0 -65.2 -5.2 PSI 153 153 A 52 ILE C A 53 ASN N A 53 ASN CA A 53 ASN C 1.0 -93.5 -33.5 PHI 154 154 A 53 ASN N A 53 ASN CA A 53 ASN C A 54 GLU N 1.0 -61.9 -1.9 PSI 155 155 A 53 ASN C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -101.3 -41.3 PHI 156 156 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 VAL N 1.0 -59.8 0.2 PSI 157 157 A 65 PHE C A 66 PRO N A 66 PRO CA A 66 PRO C 1.0 -86.6 -26.6 PHI 158 158 A 66 PRO N A 66 PRO CA A 66 PRO C A 67 GLU N 1.0 -64.8 -4.8 PSI 159 159 A 66 PRO C A 67 GLU N A 67 GLU CA A 67 GLU C 1.0 -101.5 -41.5 PHI 160 160 A 67 GLU N A 67 GLU CA A 67 GLU C A 68 PHE N 1.0 -64.8 -4.8 PSI 161 161 A 67 GLU C A 68 PHE N A 68 PHE CA A 68 PHE C 1.0 -92.7 -32.7 PHI 162 162 A 68 PHE N A 68 PHE CA A 68 PHE C A 69 LEU N 1.0 -75.5 -15.5 PSI 163 163 A 68 PHE C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -92.8 -32.8 PHI 164 164 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 THR N 1.0 -72.1 -12.1 PSI 165 165 A 69 LEU C A 70 THR N A 70 THR CA A 70 THR C 1.0 -97.6 -37.6 PHI 166 166 A 70 THR N A 70 THR CA A 70 THR C A 71 MET N 1.0 -69.5 -6.1 PSI 167 167 A 70 THR C A 71 MET N A 71 MET CA A 71 MET C 1.0 -97.9 -37.9 PHI 168 168 A 71 MET N A 71 MET CA A 71 MET C A 72 MET N 1.0 -63.6 -3.6 PSI 169 169 A 71 MET C A 72 MET N A 72 MET CA A 72 MET C 1.0 -101.1 -36.5 PHI 170 170 A 72 MET N A 72 MET CA A 72 MET C A 73 ALA N 1.0 -59.9 0.5 PSI 171 171 A 72 MET C A 73 ALA N A 73 ALA CA A 73 ALA C 1.0 -95.0 -35.0 PHI 172 172 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 ARG N 1.0 -66.4 -6.4 PSI 173 173 A 73 ALA C A 74 ARG N A 74 ARG CA A 74 ARG C 1.0 -95.3 -35.3 PHI 174 174 A 74 ARG N A 74 ARG CA A 74 ARG C A 75 LYS N 1.0 -66.5 -6.5 PSI 175 175 A 74 ARG C A 75 LYS N A 75 LYS CA A 75 LYS C 1.0 -92.8 -32.8 PHI 176 176 A 75 LYS N A 75 LYS CA A 75 LYS C A 76 MET N 1.0 -71.5 -11.5 PSI 177 177 A 75 LYS C A 76 MET N A 76 MET CA A 76 MET C 1.0 -98.6 -38.6 PHI 178 178 A 76 MET N A 76 MET CA A 76 MET C A 77 LYS N 1.0 -48.3 11.7 PSI 179 179 A 76 MET C A 77 LYS N A 77 LYS CA A 77 LYS C 1.0 -123.5 -51.3 PHI 180 180 A 77 LYS N A 77 LYS CA A 77 LYS C A 78 ASP N 1.0 -43.5 24.5 PSI 181 181 A 80 ASP C A 81 SER N A 81 SER CA A 81 SER C 1.0 -168.6 -42.2 PHI 182 182 A 81 SER N A 81 SER CA A 81 SER C A 82 GLU N 1.0 89.3 190.3 PSI 183 183 A 84 GLU C A 85 ILE N A 85 ILE CA A 85 ILE C 1.0 -93.0 -33.0 PHI 184 184 A 85 ILE N A 85 ILE CA A 85 ILE C A 86 ARG N 1.0 -70.4 -10.4 PSI 185 185 A 85 ILE C A 86 ARG N A 86 ARG CA A 86 ARG C 1.0 -93.4 -33.4 PHI 186 186 A 86 ARG N A 86 ARG CA A 86 ARG C A 87 GLU N 1.0 -69.1 -9.1 PSI 187 187 A 86 ARG C A 87 GLU N A 87 GLU CA A 87 GLU C 1.0 -93.1 -33.1 PHI 188 188 A 87 GLU N A 87 GLU CA A 87 GLU C A 88 ALA N 1.0 -72.8 -12.8 PSI 189 189 A 87 GLU C A 88 ALA N A 88 ALA CA A 88 ALA C 1.0 -93.7 -33.7 PHI 190 190 A 88 ALA N A 88 ALA CA A 88 ALA C A 89 PHE N 1.0 -69.3 -9.3 PSI 191 191 A 88 ALA C A 89 PHE N A 89 PHE CA A 89 PHE C 1.0 -92.9 -32.9 PHI 192 192 A 89 PHE N A 89 PHE CA A 89 PHE C A 90 ARG N 1.0 -72.9 -12.9 PSI 193 193 A 89 PHE C A 90 ARG N A 90 ARG CA A 90 ARG C 1.0 -91.2 -31.2 PHI 194 194 A 90 ARG N A 90 ARG CA A 90 ARG C A 91 VAL N 1.0 -69.1 -9.1 PSI 195 195 A 90 ARG C A 91 VAL N A 91 VAL CA A 91 VAL C 1.0 -100.4 -40.4 PHI 196 196 A 91 VAL N A 91 VAL CA A 91 VAL C A 92 PHE N 1.0 -66.7 -6.7 PSI 197 197 A 91 VAL C A 92 PHE N A 92 PHE CA A 92 PHE C 1.0 -107.8 -47.2 PHI 198 198 A 92 PHE N A 92 PHE CA A 92 PHE C A 93 ASP N 1.0 -83.9 16.3 PSI 199 199 A 101 SER C A 102 ALA N A 102 ALA CA A 102 ALA C 1.0 -92.8 -32.8 PHI 200 200 A 102 ALA N A 102 ALA CA A 102 ALA C A 103 ALA N 1.0 -69.4 -9.4 PSI 201 201 A 102 ALA C A 103 ALA N A 103 ALA CA A 103 ALA C 1.0 -93.9 -33.9 PHI 202 202 A 103 ALA N A 103 ALA CA A 103 ALA C A 104 GLU N 1.0 -70.0 -10.0 PSI 203 203 A 103 ALA C A 104 GLU N A 104 GLU CA A 104 GLU C 1.0 -95.3 -35.3 PHI 204 204 A 104 GLU N A 104 GLU CA A 104 GLU C A 105 LEU N 1.0 -70.9 -10.9 PSI 205 205 A 104 GLU C A 105 LEU N A 105 LEU CA A 105 LEU C 1.0 -97.7 -37.7 PHI 206 206 A 105 LEU N A 105 LEU CA A 105 LEU C A 106 ARG N 1.0 -71.2 -11.2 PSI 207 207 A 105 LEU C A 106 ARG N A 106 ARG CA A 106 ARG C 1.0 -96.2 -36.2 PHI 208 208 A 106 ARG N A 106 ARG CA A 106 ARG C A 107 HIS N 1.0 -65.2 -5.2 PSI 209 209 A 106 ARG C A 107 HIS N A 107 HIS CA A 107 HIS C 1.0 -94.2 -34.2 PHI 210 210 A 107 HIS N A 107 HIS CA A 107 HIS C A 108 VAL N 1.0 -71.3 -11.3 PSI 211 211 A 107 HIS C A 108 VAL N A 108 VAL CA A 108 VAL C 1.0 -93.2 -33.2 PHI 212 212 A 108 VAL N A 108 VAL CA A 108 VAL C A 109 MET N 1.0 -72.6 -12.6 PSI 213 213 A 108 VAL C A 109 MET N A 109 MET CA A 109 MET C 1.0 -97.7 -37.7 PHI 214 214 A 109 MET N A 109 MET CA A 109 MET C A 110 THR N 1.0 -62.9 -2.9 PSI 215 215 A 109 MET C A 110 THR N A 110 THR CA A 110 THR C 1.0 -97.1 -37.1 PHI 216 216 A 110 THR N A 110 THR CA A 110 THR C A 111 ASN N 1.0 -64.2 -4.2 PSI 217 217 A 110 THR C A 111 ASN N A 111 ASN CA A 111 ASN C 1.0 -93.5 -33.5 PHI 218 218 A 111 ASN N A 111 ASN CA A 111 ASN C A 112 LEU N 1.0 -55.8 4.2 PSI 219 219 A 111 ASN C A 112 LEU N A 112 LEU CA A 112 LEU C 1.0 -120.8 -60.8 PHI 220 220 A 112 LEU N A 112 LEU CA A 112 LEU C A 113 GLY N 1.0 -59.4 31.8 PSI 221 221 A 113 GLY C A 114 GLU N A 114 GLU CA A 114 GLU C 1.0 -158.0 -50.0 PHI 222 222 A 114 GLU N A 114 GLU CA A 114 GLU C A 115 LYS N 1.0 92.8 172.8 PSI 223 223 A 114 GLU C A 115 LYS N A 115 LYS CA A 115 LYS C 1.0 -152.4 -46.8 PHI 224 224 A 115 LYS N A 115 LYS CA A 115 LYS C A 116 LEU N 1.0 57.6 169.4 PSI 225 225 A 115 LYS C A 116 LEU N A 116 LEU CA A 116 LEU C 1.0 -171.1 -43.1 PHI 226 226 A 116 LEU N A 116 LEU CA A 116 LEU C A 117 THR N 1.0 103.8 173.0 PSI 227 227 A 116 LEU C A 117 THR N A 117 THR CA A 117 THR C 1.0 -119.3 -59.3 PHI 228 228 A 117 THR N A 117 THR CA A 117 THR C A 118 ASP N 1.0 138.7 198.7 PSI 229 229 A 117 THR C A 118 ASP N A 118 ASP CA A 118 ASP C 1.0 -90.6 -30.6 PHI 230 230 A 118 ASP N A 118 ASP CA A 118 ASP C A 119 GLU N 1.0 -66.7 -6.7 PSI 231 231 A 118 ASP C A 119 GLU N A 119 GLU CA A 119 GLU C 1.0 -94.6 -34.6 PHI 232 232 A 119 GLU N A 119 GLU CA A 119 GLU C A 120 GLU N 1.0 -62.7 -2.7 PSI 233 233 A 119 GLU C A 120 GLU N A 120 GLU CA A 120 GLU C 1.0 -95.2 -35.2 PHI 234 234 A 120 GLU N A 120 GLU CA A 120 GLU C A 121 VAL N 1.0 -71.0 -11.0 PSI 235 235 A 120 GLU C A 121 VAL N A 121 VAL CA A 121 VAL C 1.0 -95.8 -35.8 PHI 236 236 A 121 VAL N A 121 VAL CA A 121 VAL C A 122 ASP N 1.0 -72.1 -12.1 PSI 237 237 A 121 VAL C A 122 ASP N A 122 ASP CA A 122 ASP C 1.0 -93.1 -33.1 PHI 238 238 A 122 ASP N A 122 ASP CA A 122 ASP C A 123 GLU N 1.0 -70.0 -10.0 PSI 239 239 A 122 ASP C A 123 GLU N A 123 GLU CA A 123 GLU C 1.0 -96.7 -36.7 PHI 240 240 A 123 GLU N A 123 GLU CA A 123 GLU C A 124 MET N 1.0 -68.0 -8.0 PSI 241 241 A 123 GLU C A 124 MET N A 124 MET CA A 124 MET C 1.0 -92.9 -32.9 PHI 242 242 A 124 MET N A 124 MET CA A 124 MET C A 125 ILE N 1.0 -72.1 -12.1 PSI 243 243 A 124 MET C A 125 ILE N A 125 ILE CA A 125 ILE C 1.0 -94.5 -34.5 PHI 244 244 A 125 ILE N A 125 ILE CA A 125 ILE C A 126 ARG N 1.0 -73.3 -13.3 PSI 245 245 A 125 ILE C A 126 ARG N A 126 ARG CA A 126 ARG C 1.0 -93.6 -33.6 PHI 246 246 A 126 ARG N A 126 ARG CA A 126 ARG C A 127 GLU N 1.0 -69.4 -9.4 PSI 247 247 A 126 ARG C A 127 GLU N A 127 GLU CA A 127 GLU C 1.0 -118.6 -58.6 PHI 248 248 A 127 GLU N A 127 GLU CA A 127 GLU C A 128 ALA N 1.0 -70.5 -9.5 PSI 249 249 A 127 GLU C A 128 ALA N A 128 ALA CA A 128 ALA C 1.0 -93.6 -33.6 PHI 250 250 A 128 ALA N A 128 ALA CA A 128 ALA C A 129 ASP N 1.0 -69.4 -9.4 PSI 251 251 A 137 ASN C A 138 TYR N A 138 TYR CA A 138 TYR C 1.0 -90.2 -30.2 PHI 252 252 A 138 TYR N A 138 TYR CA A 138 TYR C A 139 GLU N 1.0 -66.7 -6.7 PSI 253 253 A 138 TYR C A 139 GLU N A 139 GLU CA A 139 GLU C 1.0 -89.8 -29.8 PHI 254 254 A 139 GLU N A 139 GLU CA A 139 GLU C A 140 GLU N 1.0 -74.6 -14.6 PSI 255 255 A 139 GLU C A 140 GLU N A 140 GLU CA A 140 GLU C 1.0 -95.6 -35.6 PHI 256 256 A 140 GLU N A 140 GLU CA A 140 GLU C A 141 PHE N 1.0 -72.5 -2.5 PSI 257 257 A 140 GLU C A 141 PHE N A 141 PHE CA A 141 PHE C 1.0 -103.6 -37.2 PHI 258 258 A 141 PHE N A 141 PHE CA A 141 PHE C A 142 VAL N 1.0 -70.3 -10.3 PSI 259 259 A 141 PHE C A 142 VAL N A 142 VAL CA A 142 VAL C 1.0 -89.0 -29.0 PHI 260 260 A 142 VAL N A 142 VAL CA A 142 VAL C A 143 GLN N 1.0 -71.6 -11.6 PSI 261 261 A 142 VAL C A 143 GLN N A 143 GLN CA A 143 GLN C 1.0 -93.4 -33.4 PHI 262 262 A 143 GLN N A 143 GLN CA A 143 GLN C A 144 MET N 1.0 -73.4 -13.4 PSI 263 263 A 143 GLN C A 144 MET N A 144 MET CA A 144 MET C 1.0 -99.2 -39.2 PHI 264 264 A 144 MET N A 144 MET CA A 144 MET C A 145 MET N 1.0 -56.7 5.1 PSI 265 265 A 144 MET C A 145 MET N A 145 MET CA A 145 MET C 1.0 -115.3 -55.3 PHI 266 266 A 145 MET N A 145 MET CA A 145 MET C A 146 THR N 1.0 -55.3 27.7 PSI 267 267 A 145 MET C A 146 THR N A 146 THR CA A 146 THR C 1.0 -133.6 -53.4 PHI 268 268 A 146 THR N A 146 THR CA A 146 THR C A 147 ALA N 1.0 -49.7 32.9 PSI 269 269 A 146 THR C A 147 ALA N A 147 ALA CA A 147 ALA C 1.0 -155.9 -14.1 PHI 270 270 A 147 ALA N A 147 ALA CA A 147 ALA C A 148 LYS N 1.0 83.8 167.4 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 140 GLU N A 140 GLU H 1.0 . . . 2 2 A 41 GLN N A 41 GLN H 1.0 . . . 3 3 A 130 ILE N A 130 ILE H 1.0 . . . 4 4 A 100 ILE N A 100 ILE H 1.0 . . . 5 5 A 116 LEU N A 116 LEU H 1.0 . . . 6 6 A 4 LEU N A 4 LEU H 1.0 . . . 7 7 A 5 THR N A 5 THR H 1.0 . . . 8 8 A 6 GLU N A 6 GLU H 1.0 . . . 9 9 A 7 GLU N A 7 GLU H 1.0 . . . 10 10 A 9 ILE N A 9 ILE H 1.0 . . . 11 11 A 10 ALA N A 10 ALA H 1.0 . . . 12 12 A 12 PHE N A 12 PHE H 1.0 . . . 13 13 A 18 LEU N A 18 LEU H 1.0 . . . 14 14 A 38 SER N A 38 SER H 1.0 . . . 15 15 A 39 LEU N A 39 LEU H 1.0 . . . 16 16 A 40 GLY N A 40 GLY H 1.0 . . . 17 17 A 44 THR N A 44 THR H 1.0 . . . 18 18 A 87 GLU N A 87 GLU H 1.0 . . . 19 19 A 90 ARG N A 90 ARG H 1.0 . . . 20 20 A 91 VAL N A 91 VAL H 1.0 . . . 21 21 A 94 LYS N A 94 LYS H 1.0 . . . 22 22 A 95 ASP N A 95 ASP H 1.0 . . . 23 23 A 96 GLY N A 96 GLY H 1.0 . . . 24 24 A 102 ALA N A 102 ALA H 1.0 . . . 25 25 A 111 ASN N A 111 ASN H 1.0 . . . 26 26 A 113 GLY N A 113 GLY H 1.0 . . . 27 27 A 115 LYS N A 115 LYS H 1.0 . . . 28 28 A 128 ALA N A 128 ALA H 1.0 . . . 29 29 A 131 ASP N A 131 ASP H 1.0 . . . 30 30 A 132 GLY N A 132 GLY H 1.0 . . . 31 31 A 135 GLN N A 135 GLN H 1.0 . . . 32 32 A 136 VAL N A 136 VAL H 1.0 . . . 33 33 A 137 ASN N A 137 ASN H 1.0 . . . 34 34 A 138 TYR N A 138 TYR H 1.0 . . . 35 35 A 141 PHE N A 141 PHE H 1.0 . . . 36 36 A 146 THR N A 146 THR H 1.0 . . . 37 37 A 147 ALA N A 147 ALA H 1.0 . . . 38 38 A 128 ALA N A 128 ALA H 1.0 . . . 39 39 A 9 ILE N A 9 ILE H 1.0 . . . 40 40 A 4 LEU N A 4 LEU H 1.0 . . . 41 41 A 5 THR N A 5 THR H 1.0 . . . 42 42 A 14 GLU N A 14 GLU H 1.0 . . . 43 43 A 21 LYS N A 21 LYS H 1.0 . . . 44 44 A 35 VAL N A 35 VAL H 1.0 . . . 45 45 A 36 MET N A 36 MET H 1.0 . . . 46 46 A 40 GLY N A 40 GLY H 1.0 . . . 47 47 A 42 ASN N A 42 ASN H 1.0 . . . 48 48 A 44 THR N A 44 THR H 1.0 . . . 49 49 A 45 GLU N A 45 GLU H 1.0 . . . 50 50 A 79 THR N A 79 THR H 1.0 . . . 51 51 A 80 ASP N A 80 ASP H 1.0 . . . 52 52 A 81 SER N A 81 SER H 1.0 . . . 53 53 A 86 ARG N A 86 ARG H 1.0 . . . 54 54 A 94 LYS N A 94 LYS H 1.0 . . . 55 55 A 95 ASP N A 95 ASP H 1.0 . . . 56 56 A 96 GLY N A 96 GLY H 1.0 . . . 57 57 A 98 GLY N A 98 GLY H 1.0 . . . 58 58 A 102 ALA N A 102 ALA H 1.0 . . . 59 59 A 110 THR N A 110 THR H 1.0 . . . 60 60 A 111 ASN N A 111 ASN H 1.0 . . . 61 61 A 113 GLY N A 113 GLY H 1.0 . . . 62 62 A 114 GLU N A 114 GLU H 1.0 . . . 63 63 A 115 LYS N A 115 LYS H 1.0 . . . 64 64 A 116 LEU N A 116 LEU H 1.0 . . . 65 65 A 125 ILE N A 125 ILE H 1.0 . . . 66 66 A 126 ARG N A 126 ARG H 1.0 . . . 67 67 A 130 ILE N A 130 ILE H 1.0 . . . 68 68 A 132 GLY N A 132 GLY H 1.0 . . . 69 69 A 134 GLY N A 134 GLY H 1.0 . . . 70 70 A 136 VAL N A 136 VAL H 1.0 . . . 71 71 A 137 ASN N A 137 ASN H 1.0 . . . 72 72 A 139 GLU N A 139 GLU H 1.0 . . . 73 73 A 141 PHE N A 141 PHE H 1.0 . . . 74 74 A 147 ALA N A 147 ALA H 1.0 . . . 75 75 A 98 GLY N A 98 GLY H 1.0 . . . 76 76 A 71 MET N A 71 MET H 1.0 . . . 77 77 A 101 SER N A 101 SER H 1.0 . . . 78 78 A 11 GLU N A 11 GLU H 1.0 . . . 79 79 A 111 ASN N A 111 ASN H 1.0 . . . 80 80 A 136 VAL N A 136 VAL H 1.0 . . . 81 81 A 4 LEU N A 4 LEU H 1.0 . . . 82 82 A 5 THR N A 5 THR H 1.0 . . . 83 83 A 6 GLU N A 6 GLU H 1.0 . . . 84 84 A 7 GLU N A 7 GLU H 1.0 . . . 85 85 A 13 LYS N A 13 LYS H 1.0 . . . 86 86 A 17 SER N A 17 SER H 1.0 . . . 87 87 A 18 LEU N A 18 LEU H 1.0 . . . 88 88 A 20 ASP N A 20 ASP H 1.0 . . . 89 89 A 21 LYS N A 21 LYS H 1.0 . . . 90 90 A 22 ASP N A 22 ASP H 1.0 . . . 91 91 A 23 GLY N A 23 GLY H 1.0 . . . 92 92 A 28 THR N A 28 THR H 1.0 . . . 93 93 A 32 LEU N A 32 LEU H 1.0 . . . 94 94 A 33 GLY N A 33 GLY H 1.0 . . . 95 95 A 36 MET N A 36 MET H 1.0 . . . 96 96 A 42 ASN N A 42 ASN H 1.0 . . . 97 97 A 44 THR N A 44 THR H 1.0 . . . 98 98 A 45 GLU N A 45 GLU H 1.0 . . . 99 99 A 49 GLN N A 49 GLN H 1.0 . . . 100 100 A 51 MET N A 51 MET H 1.0 . . . 101 101 A 69 LEU N A 69 LEU H 1.0 . . . 102 102 A 81 SER N A 81 SER H 1.0 . . . 103 103 A 82 GLU N A 82 GLU H 1.0 . . . 104 104 A 86 ARG N A 86 ARG H 1.0 . . . 105 105 A 93 ASP N A 93 ASP H 1.0 . . . 106 106 A 95 ASP N A 95 ASP H 1.0 . . . 107 107 A 96 GLY N A 96 GLY H 1.0 . . . 108 108 A 102 ALA N A 102 ALA H 1.0 . . . 109 109 A 106 ARG N A 106 ARG H 1.0 . . . 110 110 A 115 LYS N A 115 LYS H 1.0 . . . 111 111 A 116 LEU N A 116 LEU H 1.0 . . . 112 112 A 125 ILE N A 125 ILE H 1.0 . . . 113 113 A 137 ASN N A 137 ASN H 1.0 . . . 114 114 A 144 MET N A 144 MET H 1.0 . . . 115 115 A 148 LYS N A 148 LYS H 1.0 . . . stop_ save_