data_nef_c25459_2myv 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 BMRB 25460 PDB 2MYV 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 35 CYS SG 1 70 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -8 ALA start . . 2 A -7 PRO middle . false 3 A -6 GLN middle . . 4 A -5 ASP middle . . 5 A -4 ASN middle . . 6 A -3 THR middle . . 7 A -2 SER middle . . 8 A -1 MET middle . . 9 A 0 GLY middle . false 10 A 1 SER middle . . 11 A 2 SER middle . . 12 A 3 HIS middle . . 13 A 4 HIS middle . . 14 A 5 HIS middle . . 15 A 6 HIS middle . . 16 A 7 HIS middle . . 17 A 8 HIS middle . . 18 A 9 SER middle . . 19 A 10 SER middle . . 20 A 11 GLY middle . false 21 A 12 ARG middle . . 22 A 13 GLU middle . . 23 A 14 ASN middle . . 24 A 15 LEU middle . . 25 A 16 TYR middle . . 26 A 17 PHE middle . . 27 A 18 GLN middle . . 28 A 19 GLY middle . false 29 A 20 HIS middle . . 30 A 21 MET middle . . 31 A 22 ALA middle . . 32 A 23 TRP middle . . 33 A 24 LYS middle . . 34 A 25 ASP middle . . 35 A 26 CYS middle -HG . 36 A 27 ILE middle . . 37 A 28 ILE middle . . 38 A 29 GLN middle . . 39 A 30 ARG middle . . 40 A 31 TYR middle . . 41 A 32 LYS middle . . 42 A 33 ASP middle . . 43 A 34 GLY middle . false 44 A 35 ASP middle . . 45 A 36 VAL middle . . 46 A 37 ASN middle . . 47 A 38 ASN middle . . 48 A 39 ILE middle . . 49 A 40 TYR middle . . 50 A 41 THR middle . . 51 A 42 ALA middle . . 52 A 43 ASN middle . . 53 A 44 ARG middle . . 54 A 45 ASN middle . . 55 A 46 GLU middle . . 56 A 47 GLU middle . . 57 A 48 ILE middle . . 58 A 49 THR middle . . 59 A 50 ILE middle . . 60 A 51 GLU middle . . 61 A 52 GLU middle . . 62 A 53 TYR middle . . 63 A 54 LYS middle . . 64 A 55 VAL middle . . 65 A 56 PHE middle . . 66 A 57 VAL middle . . 67 A 58 ASN middle . . 68 A 59 GLU middle . . 69 A 60 ALA middle . . 70 A 61 CYS middle -HG . 71 A 62 HIS middle . . 72 A 63 PRO middle . false 73 A 64 TYR middle . . 74 A 65 PRO middle . true 75 A 66 VAL middle . . 76 A 67 ILE middle . . 77 A 68 LEU middle . . 78 A 69 PRO middle . false 79 A 70 ASP middle . . 80 A 71 ARG middle . . 81 A 72 SER middle . . 82 A 73 VAL middle . . 83 A 74 LEU middle . . 84 A 75 SER middle . . 85 A 76 GLY middle . false 86 A 77 ASP middle . . 87 A 78 PHE middle . . 88 A 79 THR middle . . 89 A 80 SER middle . . 90 A 81 ALA middle . . 91 A 82 TYR middle . . 92 A 83 ALA middle . . 93 A 84 ASP middle . . 94 A 85 ASP middle . . 95 A 86 ASP middle . . 96 A 87 GLU middle . . 97 A 88 SER middle . . 98 A 89 CYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 11 GLY H H 1 8.486 . A 11 GLY HAy H 1 4.025 . A 11 GLY HAx H 1 3.944 . A 11 GLY C C 13 174.92 . A 11 GLY CA C 13 45.55 . A 11 GLY N N 15 110.87 . A 12 ARG H H 1 8.158 . A 12 ARG HA H 1 4.270 . A 12 ARG HBy H 1 1.717 . A 12 ARG HBx H 1 1.554 . A 12 ARG HGy H 1 2.190 . A 12 ARG HGx H 1 1.833 . A 12 ARG C C 13 177.00 . A 12 ARG CA C 13 56.54 . A 12 ARG CB C 13 30.55 . A 12 ARG N N 15 120.35 . A 13 GLU H H 1 8.623 . A 13 GLU HA H 1 4.180 . A 13 GLU HBx H 1 1.941 . A 13 GLU HBy H 1 2.249 . A 13 GLU HGx H 1 2.016 . A 13 GLU C C 13 176.89 . A 13 GLU CA C 13 57.51 . A 13 GLU CB C 13 29.48 . A 13 GLU N N 15 120.74 . A 14 ASN H H 1 8.281 . A 14 ASN HA H 1 4.697 . A 14 ASN HBx H 1 2.711 . A 14 ASN HBy H 1 2.773 . A 14 ASN HD2y H 1 7.539 . A 14 ASN HD2x H 1 6.856 . A 14 ASN C C 13 175.76 . A 14 ASN CA C 13 53.64 . A 14 ASN CB C 13 38.78 . A 14 ASN CG C 13 176.86 . A 14 ASN N N 15 118.46 . A 14 ASN ND2 N 15 112.60 . A 15 LEU H H 1 7.987 . A 15 LEU HA H 1 4.174 . A 15 LEU HBx H 1 1.284 . A 15 LEU HBy H 1 1.420 . A 15 LEU HDx% H 1 0.710 . A 15 LEU HDy% H 1 0.660 . A 15 LEU C C 13 177.51 . A 15 LEU CA C 13 55.82 . A 15 LEU CB C 13 42.23 . A 15 LEU N N 15 121.63 . A 16 TYR H H 1 7.930 . A 16 TYR HA H 1 4.445 . A 16 TYR HBx H 1 2.737 . A 16 TYR HBy H 1 2.858 . A 16 TYR HDx H 1 6.862 . A 16 TYR HEx H 1 6.672 . A 16 TYR C C 13 176.24 . A 16 TYR CA C 13 58.18 . A 16 TYR CB C 13 38.54 . A 16 TYR N N 15 118.95 . A 17 PHE H H 1 7.905 . A 17 PHE HA H 1 4.500 . A 17 PHE HBy H 1 3.020 . A 17 PHE HBx H 1 2.878 . A 17 PHE HDx H 1 7.096 . A 17 PHE C C 13 176.00 . A 17 PHE CA C 13 57.82 . A 17 PHE CB C 13 39.29 . A 17 PHE N N 15 120.45 . A 18 GLN H H 1 8.108 . A 18 GLN HA H 1 4.202 . A 18 GLN HBx H 1 1.871 . A 18 GLN HBy H 1 2.060 . A 18 GLN HE2y H 1 7.363 . A 18 GLN HE2x H 1 6.786 . A 18 GLN HGx H 1 2.199 . A 18 GLN C C 13 176.65 . A 18 GLN CA C 13 56.13 . A 18 GLN CB C 13 28.92 . A 18 GLN CD C 13 180.33 . A 18 GLN N N 15 121.06 . A 18 GLN NE2 N 15 111.83 . A 19 GLY H H 1 7.992 . A 19 GLY HAy H 1 3.901 . A 19 GLY HAx H 1 3.780 . A 19 GLY C C 13 174.30 . A 19 GLY CA C 13 45.48 . A 19 GLY N N 15 108.55 . A 21 MET H H 1 7.862 . A 21 MET HA H 1 4.209 . A 21 MET HBx H 1 1.540 . A 21 MET HGx H 1 2.011 . A 21 MET C C 13 175.13 . A 21 MET CA C 13 55.08 . A 21 MET CB C 13 32.99 . A 21 MET N N 15 120.77 . A 22 ALA H H 1 8.020 . A 22 ALA HA H 1 4.295 . A 22 ALA HB% H 1 1.239 . A 22 ALA C C 13 177.16 . A 22 ALA CA C 13 51.43 . A 22 ALA CB C 13 18.38 . A 22 ALA N N 15 125.19 . A 23 TRP H H 1 7.831 . A 23 TRP HA H 1 4.700 . A 23 TRP HBy H 1 3.344 . A 23 TRP HBx H 1 3.143 . A 23 TRP HD1 H 1 7.194 . A 23 TRP HE1 H 1 7.539 . A 23 TRP HE3 H 1 9.932 . A 23 TRP HH2 H 1 7.389 . A 23 TRP HZ2 H 1 6.909 . A 23 TRP HZ3 H 1 7.055 . A 23 TRP C C 13 177.30 . A 23 TRP CA C 13 57.33 . A 23 TRP CB C 13 30.76 . A 23 TRP N N 15 121.41 . A 23 TRP NE1 N 15 128.88 . A 24 LYS H H 1 8.127 . A 24 LYS HA H 1 4.672 . A 24 LYS HBy H 1 1.787 . A 24 LYS HBx H 1 1.524 . A 24 LYS HDx H 1 1.409 . A 24 LYS HEx H 1 2.901 . A 24 LYS HGx H 1 1.252 . A 24 LYS HGy H 1 1.608 . A 24 LYS C C 13 177.24 . A 24 LYS CA C 13 55.31 . A 24 LYS CB C 13 33.57 . A 24 LYS N N 15 123.24 . A 25 ASP H H 1 8.268 . A 25 ASP HA H 1 4.509 . A 25 ASP HBx H 1 2.833 . A 25 ASP HBy H 1 3.172 . A 25 ASP C C 13 177.38 . A 25 ASP CA C 13 58.60 . A 25 ASP CB C 13 43.58 . A 25 ASP N N 15 119.33 . A 26 CYS H H 1 8.859 . A 26 CYS HA H 1 5.446 . A 26 CYS HBy H 1 2.686 . A 26 CYS HBx H 1 2.480 . A 26 CYS C C 13 175.35 . A 26 CYS CA C 13 52.18 . A 26 CYS CB C 13 38.46 . A 26 CYS N N 15 113.79 . A 27 ILE H H 1 9.092 . A 27 ILE HA H 1 4.655 . A 27 ILE HB H 1 1.483 . A 27 ILE HD1% H 1 0.361 . A 27 ILE HG1x H 1 0.884 . A 27 ILE HG1y H 1 1.436 . A 27 ILE HG2% H 1 0.576 . A 27 ILE C C 13 174.91 . A 27 ILE CA C 13 60.08 . A 27 ILE CB C 13 40.13 . A 27 ILE N N 15 123.52 . A 28 ILE H H 1 9.102 . A 28 ILE HA H 1 5.081 . A 28 ILE HB H 1 1.918 . A 28 ILE HD1% H 1 0.578 . A 28 ILE HG1x H 1 1.049 . A 28 ILE HG1y H 1 1.139 . A 28 ILE HG2% H 1 0.741 . A 28 ILE C C 13 175.61 . A 28 ILE CA C 13 57.92 . A 28 ILE CB C 13 38.86 . A 28 ILE N N 15 128.95 . A 29 GLN H H 1 9.207 . A 29 GLN HA H 1 4.767 . A 29 GLN HBx H 1 1.728 . A 29 GLN HBy H 1 2.060 . A 29 GLN HE2y H 1 7.041 . A 29 GLN HE2x H 1 6.780 . A 29 GLN HGx H 1 1.973 . A 29 GLN HGy H 1 2.403 . A 29 GLN C C 13 173.96 . A 29 GLN CA C 13 55.15 . A 29 GLN CB C 13 31.78 . A 29 GLN CD C 13 179.15 . A 29 GLN N N 15 125.25 . A 29 GLN NE2 N 15 110.18 . A 30 ARG H H 1 8.345 . A 30 ARG HA H 1 5.352 . A 30 ARG HBx H 1 2.116 . A 30 ARG HBy H 1 2.247 . A 30 ARG HDy H 1 3.398 . A 30 ARG HDx H 1 2.875 . A 30 ARG HE H 1 7.819 . A 30 ARG HGx H 1 1.397 . A 30 ARG HGy H 1 1.512 . A 30 ARG C C 13 174.37 . A 30 ARG CA C 13 53.97 . A 30 ARG CB C 13 34.69 . A 30 ARG N N 15 122.86 . A 30 ARG NE N 15 82.1 . A 31 TYR H H 1 10.00 . A 31 TYR HA H 1 5.082 . A 31 TYR HBx H 1 2.747 . A 31 TYR HBy H 1 2.919 . A 31 TYR HDx H 1 6.854 . A 31 TYR HEx H 1 6.696 . A 31 TYR C C 13 176.10 . A 31 TYR CA C 13 57.15 . A 31 TYR CB C 13 40.84 . A 31 TYR N N 15 129.00 . A 32 LYS H H 1 8.819 . A 32 LYS HA H 1 4.541 . A 32 LYS HBy H 1 1.760 . A 32 LYS HBx H 1 1.532 . A 32 LYS HDx H 1 1.568 . A 32 LYS HEx H 1 2.918 . A 32 LYS HEy H 1 2.959 . A 32 LYS HGy H 1 1.332 . A 32 LYS HGx H 1 1.250 . A 32 LYS C C 13 175.92 . A 32 LYS CA C 13 56.33 . A 32 LYS CB C 13 35.68 . A 32 LYS N N 15 123.10 . A 33 ASP H H 1 9.108 . A 33 ASP HA H 1 4.311 . A 33 ASP HBy H 1 2.913 . A 33 ASP HBx H 1 2.702 . A 33 ASP C C 13 176.37 . A 33 ASP CA C 13 55.85 . A 33 ASP CB C 13 39.77 . A 33 ASP N N 15 125.57 . A 34 GLY H H 1 8.576 . A 34 GLY HAy H 1 4.203 . A 34 GLY HAx H 1 3.590 . A 34 GLY C C 13 173.61 . A 34 GLY CA C 13 45.66 . A 34 GLY N N 15 104.45 . A 35 ASP H H 1 7.727 . A 35 ASP HA H 1 5.075 . A 35 ASP HBy H 1 2.647 . A 35 ASP HBx H 1 2.539 . A 35 ASP C C 13 175.89 . A 35 ASP CA C 13 52.61 . A 35 ASP CB C 13 43.86 . A 35 ASP N N 15 119.51 . A 36 VAL H H 1 8.709 . A 36 VAL HA H 1 3.673 . A 36 VAL HB H 1 1.858 . A 36 VAL HGx% H 1 0.723 . A 36 VAL HGy% H 1 0.702 . A 36 VAL C C 13 175.94 . A 36 VAL CA C 13 63.64 . A 36 VAL CB C 13 31.51 . A 36 VAL N N 15 122.14 . A 37 ASN H H 1 9.259 . A 37 ASN HA H 1 4.781 . A 37 ASN HBx H 1 2.501 . A 37 ASN HBy H 1 2.651 . A 37 ASN HD2y H 1 7.549 . A 37 ASN HD2x H 1 6.829 . A 37 ASN C C 13 174.94 . A 37 ASN CA C 13 53.90 . A 37 ASN CB C 13 41.84 . A 37 ASN CG C 13 175.54 . A 37 ASN N N 15 127.39 . A 37 ASN ND2 N 15 111.14 . A 38 ASN H H 1 7.836 . A 38 ASN HA H 1 4.694 . A 38 ASN HBx H 1 2.364 . A 38 ASN HBy H 1 2.519 . A 38 ASN HD2y H 1 7.309 . A 38 ASN HD2x H 1 6.781 . A 38 ASN C C 13 172.76 . A 38 ASN CA C 13 52.64 . A 38 ASN CB C 13 43.82 . A 38 ASN CG C 13 177.29 . A 38 ASN N N 15 115.23 . A 38 ASN ND2 N 15 111.00 . A 39 ILE H H 1 7.927 . A 39 ILE HA H 1 4.747 . A 39 ILE HB H 1 1.496 . A 39 ILE HD1% H 1 0.708 . A 39 ILE HG1x H 1 0.890 . A 39 ILE HG1y H 1 1.304 . A 39 ILE HG2% H 1 0.761 . A 39 ILE C C 13 173.85 . A 39 ILE CA C 13 59.72 . A 39 ILE CB C 13 40.80 . A 39 ILE N N 15 117.77 . A 40 TYR H H 1 9.170 . A 40 TYR HA H 1 4.828 . A 40 TYR HBx H 1 2.344 . A 40 TYR HBy H 1 3.148 . A 40 TYR HDx H 1 6.974 . A 40 TYR HEx H 1 6.567 . A 40 TYR C C 13 174.79 . A 40 TYR CA C 13 55.62 . A 40 TYR CB C 13 41.48 . A 40 TYR N N 15 122.94 . A 41 THR H H 1 8.675 . A 41 THR HA H 1 5.329 . A 41 THR HB H 1 4.141 . A 41 THR HG2% H 1 1.180 . A 41 THR C C 13 172.18 . A 41 THR CA C 13 59.08 . A 41 THR CB C 13 72.02 . A 41 THR N N 15 113.39 . A 42 ALA H H 1 7.974 . A 42 ALA HA H 1 4.477 . A 42 ALA HB% H 1 1.203 . A 42 ALA C C 13 175.61 . A 42 ALA CA C 13 51.36 . A 42 ALA CB C 13 24.13 . A 42 ALA N N 15 124.64 . A 43 ASN H H 1 9.139 . A 43 ASN HA H 1 5.063 . A 43 ASN HBy H 1 2.838 . A 43 ASN HBx H 1 2.537 . A 43 ASN HD2y H 1 7.667 . A 43 ASN HD2x H 1 6.936 . A 43 ASN C C 13 173.95 . A 43 ASN CA C 13 51.51 . A 43 ASN CB C 13 39.34 . A 43 ASN CG C 13 176.29 . A 43 ASN N N 15 120.45 . A 43 ASN ND2 N 15 111.90 . A 44 ARG H H 1 8.532 . A 44 ARG HA H 1 3.639 . A 44 ARG HBy H 1 1.720 . A 44 ARG HBx H 1 1.525 . A 44 ARG HDx H 1 3.288 . A 44 ARG HDy H 1 3.363 . A 44 ARG HE H 1 7.306 . A 44 ARG HGy H 1 1.601 . A 44 ARG C C 13 178.05 . A 44 ARG CA C 13 57.18 . A 44 ARG CB C 13 31.96 . A 44 ARG N N 15 115.13 . A 44 ARG NE N 15 84.95 . A 45 ASN H H 1 7.821 . A 45 ASN HA H 1 4.425 . A 45 ASN HBx H 1 2.930 . A 45 ASN HBy H 1 3.116 . A 45 ASN HD2y H 1 7.424 . A 45 ASN HD2x H 1 6.840 . A 45 ASN C C 13 174.38 . A 45 ASN CA C 13 54.54 . A 45 ASN CB C 13 36.53 . A 45 ASN CG C 13 178.08 . A 45 ASN N N 15 118.47 . A 45 ASN ND2 N 15 111.50 . A 46 GLU H H 1 7.505 . A 46 GLU HA H 1 4.592 . A 46 GLU HBy H 1 1.976 . A 46 GLU HBx H 1 1.714 . A 46 GLU HGx H 1 2.164 . A 46 GLU HGy H 1 2.241 . A 46 GLU C C 13 174.33 . A 46 GLU CA C 13 55.31 . A 46 GLU CB C 13 33.38 . A 46 GLU N N 15 118.81 . A 47 GLU H H 1 8.353 . A 47 GLU HA H 1 5.284 . A 47 GLU HBx H 1 2.039 . A 47 GLU HBy H 1 2.092 . A 47 GLU HGx H 1 2.253 . A 47 GLU C C 13 176.87 . A 47 GLU CA C 13 54.69 . A 47 GLU CB C 13 32.04 . A 47 GLU N N 15 122.76 . A 48 ILE H H 1 9.274 . A 48 ILE HA H 1 4.782 . A 48 ILE HB H 1 1.869 . A 48 ILE HD1% H 1 0.523 . A 48 ILE HG1y H 1 1.122 . A 48 ILE HG1x H 1 0.846 . A 48 ILE HG2% H 1 0.871 . A 48 ILE C C 13 174.56 . A 48 ILE CA C 13 59.59 . A 48 ILE CB C 13 41.31 . A 48 ILE N N 15 121.00 . A 49 THR H H 1 8.118 . A 49 THR HA H 1 4.994 . A 49 THR HB H 1 3.858 . A 49 THR HG2% H 1 0.962 . A 49 THR C C 13 174.71 . A 49 THR CA C 13 61.03 . A 49 THR CB C 13 70.02 . A 49 THR N N 15 115.49 . A 50 ILE H H 1 8.805 . A 50 ILE HA H 1 3.700 . A 50 ILE HB H 1 1.368 . A 50 ILE HD1% H 1 0.188 . A 50 ILE HG1x H 1 -0.21 . A 50 ILE HG1y H 1 0.906 . A 50 ILE HG2% H 1 0.492 . A 50 ILE C C 13 175.00 . A 50 ILE CA C 13 60.90 . A 50 ILE CB C 13 39.58 . A 50 ILE N N 15 128.13 . A 51 GLU H H 1 8.829 . A 51 GLU HA H 1 3.604 . A 51 GLU HBy H 1 2.108 . A 51 GLU HBx H 1 2.014 . A 51 GLU HGy H 1 2.276 . A 51 GLU HGx H 1 1.909 . A 51 GLU C C 13 175.57 . A 51 GLU CA C 13 58.49 . A 51 GLU CB C 13 26.49 . A 51 GLU N N 15 123.51 . A 52 GLU H H 1 7.161 . A 52 GLU HA H 1 4.121 . A 52 GLU HBx H 1 1.554 . A 52 GLU HBy H 1 1.587 . A 52 GLU HGx H 1 1.832 . A 52 GLU HGy H 1 1.930 . A 52 GLU C C 13 176.02 . A 52 GLU CA C 13 56.59 . A 52 GLU CB C 13 29.04 . A 52 GLU N N 15 117.48 . A 53 TYR H H 1 8.352 . A 53 TYR HA H 1 4.764 . A 53 TYR HBy H 1 3.054 . A 53 TYR HBx H 1 2.920 . A 53 TYR HDy H 1 7.105 . A 53 TYR HEy H 1 6.752 . A 53 TYR C C 13 175.26 . A 53 TYR CA C 13 56.18 . A 53 TYR CB C 13 39.05 . A 53 TYR N N 15 122.99 . A 54 LYS H H 1 8.328 . A 54 LYS HA H 1 4.765 . A 54 LYS HBy H 1 1.789 . A 54 LYS HBx H 1 1.639 . A 54 LYS HDx H 1 1.336 . A 54 LYS HDy H 1 1.479 . A 54 LYS HEy H 1 4.134 . A 54 LYS HEx H 1 2.878 . A 54 LYS HGx H 1 1.449 . A 54 LYS C C 13 176.81 . A 54 LYS CA C 13 55.77 . A 54 LYS CB C 13 32.99 . A 54 LYS N N 15 122.72 . A 55 VAL H H 1 8.924 . A 55 VAL HA H 1 4.551 . A 55 VAL HB H 1 1.637 . A 55 VAL HGx% H 1 0.637 . A 55 VAL HGy% H 1 0.676 . A 55 VAL C C 13 173.98 . A 55 VAL CA C 13 60.95 . A 55 VAL CB C 13 35.71 . A 55 VAL N N 15 125.31 . A 56 PHE H H 1 9.064 . A 56 PHE HA H 1 4.918 . A 56 PHE HBy H 1 3.233 . A 56 PHE HBx H 1 3.006 . A 56 PHE HDy H 1 7.126 . A 56 PHE HEy H 1 7.210 . A 56 PHE HZ H 1 7.265 . A 56 PHE C C 13 174.24 . A 56 PHE CA C 13 57.31 . A 56 PHE CB C 13 41.68 . A 56 PHE N N 15 127.45 . A 57 VAL H H 1 7.908 . A 57 VAL HA H 1 4.068 . A 57 VAL HB H 1 2.056 . A 57 VAL HGx% H 1 0.599 . A 57 VAL HGy% H 1 0.477 . A 57 VAL C C 13 175.31 . A 57 VAL CA C 13 61.77 . A 57 VAL CB C 13 31.72 . A 57 VAL N N 15 130.28 . A 58 ASN H H 1 7.886 . A 58 ASN HA H 1 4.597 . A 58 ASN HBx H 1 3.219 . A 58 ASN HBy H 1 3.870 . A 58 ASN HD2y H 1 7.840 . A 58 ASN HD2x H 1 7.457 . A 58 ASN C C 13 177.61 . A 58 ASN CA C 13 51.56 . A 58 ASN CB C 13 38.89 . A 58 ASN CG C 13 177.55 . A 58 ASN N N 15 124.48 . A 58 ASN ND2 N 15 112.96 . A 59 GLU H H 1 8.585 . A 59 GLU HA H 1 3.945 . A 59 GLU HBy H 1 2.234 . A 59 GLU HBx H 1 2.212 . A 59 GLU HGx H 1 2.308 . A 59 GLU HGy H 1 2.406 . A 59 GLU C C 13 175.74 . A 59 GLU CA C 13 58.57 . A 59 GLU CB C 13 28.85 . A 59 GLU N N 15 115.50 . A 60 ALA H H 1 7.730 . A 60 ALA HA H 1 4.708 . A 60 ALA HB% H 1 1.265 . A 60 ALA C C 13 175.81 . A 60 ALA CA C 13 50.56 . A 60 ALA CB C 13 18.39 . A 60 ALA N N 15 123.07 . A 61 CYS H H 1 7.729 . A 61 CYS HA H 1 3.784 . A 61 CYS HBy H 1 2.905 . A 61 CYS HBx H 1 2.376 . A 61 CYS C C 13 172.82 . A 61 CYS CA C 13 54.72 . A 61 CYS CB C 13 31.33 . A 61 CYS N N 15 107.57 . A 62 HIS H H 1 7.800 . A 62 HIS HA H 1 5.011 . A 62 HIS HBy H 1 3.194 . A 62 HIS HBx H 1 3.001 . A 62 HIS HD1 H 1 7.108 . A 62 HIS HE1 H 1 8.210 . A 62 HIS C C 13 172.73 . A 62 HIS CA C 13 52.56 . A 62 HIS CB C 13 29.74 . A 62 HIS N N 15 115.36 . A 63 PRO HA H 1 5.142 . A 63 PRO HBx H 1 1.480 . A 63 PRO HBy H 1 1.832 . A 63 PRO HDx H 1 3.570 . A 63 PRO HDy H 1 3.777 . A 63 PRO HGx H 1 1.950 . A 63 PRO C C 13 175.74 . A 63 PRO CA C 13 61.44 . A 63 PRO CB C 13 32.46 . A 64 TYR H H 1 8.805 . A 64 TYR HA H 1 4.476 . A 64 TYR HBy H 1 3.100 . A 64 TYR HBx H 1 3.003 . A 64 TYR HDx H 1 7.240 . A 64 TYR HEx H 1 6.855 . A 64 TYR C C 13 174.61 . A 64 TYR CA C 13 56.69 . A 64 TYR CB C 13 41.93 . A 64 TYR N N 15 118.70 . A 65 PRO HA H 1 4.481 . A 65 PRO HBx H 1 1.933 . A 65 PRO HBy H 1 2.058 . A 65 PRO HDx H 1 3.468 . A 65 PRO HDy H 1 3.742 . A 65 PRO HGx H 1 1.560 . A 65 PRO HGy H 1 1.789 . A 65 PRO C C 13 173.36 . A 65 PRO CA C 13 62.75 . A 65 PRO CB C 13 34.42 . A 66 VAL H H 1 7.680 . A 66 VAL HA H 1 3.847 . A 66 VAL HB H 1 2.044 . A 66 VAL HGx% H 1 1.087 . A 66 VAL C C 13 175.21 . A 66 VAL CA C 13 63.90 . A 66 VAL CB C 13 32.87 . A 66 VAL N N 15 113.01 . A 67 ILE H H 1 7.227 . A 67 ILE HA H 1 4.832 . A 67 ILE HB H 1 1.627 . A 67 ILE HD1% H 1 0.766 . A 67 ILE HG1x H 1 1.059 . A 67 ILE HG1y H 1 1.485 . A 67 ILE HG2% H 1 0.869 . A 67 ILE C C 13 176.98 . A 67 ILE CA C 13 58.90 . A 67 ILE CB C 13 39.17 . A 67 ILE N N 15 116.18 . A 68 LEU H H 1 8.492 . A 68 LEU HA H 1 4.341 . A 68 LEU HBy H 1 1.836 . A 68 LEU HBx H 1 0.747 . A 68 LEU HDx% H 1 0.716 . A 68 LEU HDy% H 1 0.485 . A 68 LEU HG H 1 1.322 . A 68 LEU C C 13 178.17 . A 68 LEU CA C 13 53.05 . A 68 LEU CB C 13 40.45 . A 68 LEU N N 15 126.14 . A 69 PRO HA H 1 4.237 . A 69 PRO HBx H 1 1.667 . A 69 PRO HBy H 1 2.432 . A 69 PRO HDy H 1 3.299 . A 69 PRO HDx H 1 2.013 . A 69 PRO HGy H 1 1.897 . A 69 PRO HGx H 1 1.785 . A 69 PRO C C 13 176.49 . A 69 PRO CA C 13 65.13 . A 69 PRO CB C 13 31.70 . A 70 ASP H H 1 7.138 . A 70 ASP HA H 1 4.538 . A 70 ASP HBy H 1 2.994 . A 70 ASP HBx H 1 2.703 . A 70 ASP C C 13 176.69 . A 70 ASP CA C 13 53.10 . A 70 ASP CB C 13 39.40 . A 70 ASP N N 15 113.54 . A 71 ARG H H 1 8.417 . A 71 ARG HA H 1 3.641 . A 71 ARG HBy H 1 2.350 . A 71 ARG HBx H 1 2.040 . A 71 ARG HDx H 1 1.661 . A 71 ARG HE H 1 3.010 . A 71 ARG HGx H 1 1.322 . A 71 ARG HGy H 1 1.429 . A 71 ARG C C 13 176.13 . A 71 ARG CA C 13 58.54 . A 71 ARG CB C 13 26.53 . A 71 ARG N N 15 111.52 . A 72 SER H H 1 8.224 . A 72 SER HA H 1 4.725 . A 72 SER HBx H 1 3.822 . A 72 SER C C 13 172.22 . A 72 SER CA C 13 59.36 . A 72 SER CB C 13 63.97 . A 72 SER N N 15 117.21 . A 73 VAL H H 1 8.652 . A 73 VAL HA H 1 4.897 . A 73 VAL HB H 1 1.846 . A 73 VAL HGx% H 1 0.876 . A 73 VAL HGy% H 1 0.783 . A 73 VAL C C 13 176.11 . A 73 VAL CA C 13 61.03 . A 73 VAL CB C 13 35.23 . A 73 VAL N N 15 119.69 . A 74 LEU H H 1 9.384 . A 74 LEU HA H 1 5.653 . A 74 LEU HBy H 1 1.893 . A 74 LEU HBx H 1 0.950 . A 74 LEU HDx% H 1 0.655 . A 74 LEU HDy% H 1 0.773 . A 74 LEU HG H 1 1.556 . A 74 LEU C C 13 176.93 . A 74 LEU CA C 13 52.90 . A 74 LEU CB C 13 45.12 . A 74 LEU N N 15 125.70 . A 75 SER H H 1 8.779 . A 75 SER HA H 1 4.643 . A 75 SER HBy H 1 3.881 . A 75 SER HBx H 1 3.820 . A 75 SER C C 13 173.86 . A 75 SER CA C 13 56.87 . A 75 SER CB C 13 65.77 . A 75 SER N N 15 113.95 . A 76 GLY H H 1 8.964 . A 76 GLY HAy H 1 5.510 . A 76 GLY HAx H 1 4.300 . A 76 GLY C C 13 172.91 . A 76 GLY CA C 13 45.23 . A 76 GLY N N 15 112.19 . A 77 ASP H H 1 8.510 . A 77 ASP HA H 1 4.657 . A 77 ASP HBx H 1 2.693 . A 77 ASP HBy H 1 2.882 . A 77 ASP C C 13 175.28 . A 77 ASP CA C 13 52.13 . A 77 ASP CB C 13 44.44 . A 77 ASP N N 15 117.99 . A 78 PHE H H 1 9.561 . A 78 PHE HA H 1 5.148 . A 78 PHE HBy H 1 3.383 . A 78 PHE HBx H 1 2.742 . A 78 PHE HDy H 1 7.373 . A 78 PHE HEy H 1 7.241 . A 78 PHE HZ H 1 7.216 . A 78 PHE C C 13 178.58 . A 78 PHE CA C 13 58.36 . A 78 PHE CB C 13 40.10 . A 78 PHE N N 15 121.60 . A 79 THR H H 1 9.131 . A 79 THR HA H 1 3.844 . A 79 THR HB H 1 4.066 . A 79 THR HG2% H 1 1.031 . A 79 THR C C 13 176.65 . A 79 THR CA C 13 65.31 . A 79 THR CB C 13 68.77 . A 79 THR N N 15 121.41 . A 80 SER H H 1 8.374 . A 80 SER HA H 1 4.296 . A 80 SER HBx H 1 3.838 . A 80 SER HBy H 1 3.914 . A 80 SER C C 13 175.28 . A 80 SER CA C 13 59.64 . A 80 SER CB C 13 63.09 . A 80 SER N N 15 114.95 . A 81 ALA H H 1 7.915 . A 81 ALA HA H 1 4.212 . A 81 ALA HB% H 1 1.303 . A 81 ALA C C 13 178.24 . A 81 ALA CA C 13 53.23 . A 81 ALA CB C 13 18.70 . A 81 ALA N N 15 124.73 . A 82 TYR H H 1 7.761 . A 82 TYR HA H 1 4.391 . A 82 TYR HBy H 1 2.960 . A 82 TYR HBx H 1 2.804 . A 82 TYR HDy H 1 7.003 . A 82 TYR HEy H 1 6.687 . A 82 TYR C C 13 175.84 . A 82 TYR CA C 13 58.41 . A 82 TYR CB C 13 38.88 . A 82 TYR N N 15 118.21 . A 83 ALA H H 1 7.758 . A 83 ALA HA H 1 4.229 . A 83 ALA HB% H 1 1.280 . A 83 ALA C C 13 177.31 . A 83 ALA CA C 13 52.31 . A 83 ALA CB C 13 19.65 . A 83 ALA N N 15 124.17 . A 84 ASP H H 1 8.095 . A 84 ASP HA H 1 4.580 . A 84 ASP HBy H 1 2.706 . A 84 ASP HBx H 1 2.564 . A 84 ASP C C 13 176.44 . A 84 ASP CA C 13 54.28 . A 84 ASP CB C 13 41.36 . A 84 ASP N N 15 119.93 . A 85 ASP H H 1 8.211 . A 85 ASP HA H 1 4.599 . A 85 ASP HBy H 1 2.689 . A 85 ASP HBx H 1 2.613 . A 85 ASP C C 13 176.47 . A 85 ASP CA C 13 54.28 . A 85 ASP CB C 13 41.34 . A 85 ASP N N 15 120.68 . A 86 ASP H H 1 8.284 . A 86 ASP HA H 1 4.602 . A 86 ASP HBy H 1 2.719 . A 86 ASP HBx H 1 2.641 . A 86 ASP C C 13 176.96 . A 86 ASP CA C 13 54.54 . A 86 ASP CB C 13 41.30 . A 86 ASP N N 15 120.94 . A 87 GLU H H 1 8.341 . A 87 GLU HA H 1 4.329 . A 87 GLU HBy H 1 2.112 . A 87 GLU HBx H 1 1.957 . A 87 GLU C C 13 177.11 . A 87 GLU CA C 13 56.74 . A 87 GLU CB C 13 30.01 . A 87 GLU N N 15 121.20 . A 88 SER H H 1 8.331 . A 88 SER HA H 1 4.467 . A 88 SER HBx H 1 3.892 . A 88 SER C C 13 174.20 . A 88 SER CA C 13 58.59 . A 88 SER CB C 13 63.93 . A 88 SER N N 15 117.10 . A 89 CYS H H 1 7.943 . A 89 CYS HA H 1 4.393 . A 89 CYS HBx H 1 2.923 . A 89 CYS C C 13 179.20 . A 89 CYS CA C 13 59.58 . A 89 CYS CB C 13 28.76 . A 89 CYS N N 15 125.01 . 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 23 TRP HBy A 27 ILE HD1% 1.0 1.8 5.8 2 2 A 23 TRP HZ3 A 41 THR HB 1.0 1.8 4.4 3 3 A 23 TRP HE3 A 27 ILE HG1y 1.0 1.8 4.8 4 4 A 23 TRP HD1 A 79 THR HG2% 1.0 1.8 5.4 5 5 A 23 TRP HZ3 A 83 ALA HB% 1.0 1.8 5.4 6 6 A 23 TRP HD1 A 23 TRP HBx 1.0 1.8 3.6 7 7 A 27 ILE HD1% A 23 TRP HH2 1.0 1.8 5.8 8 8 A 23 TRP HZ3 A 27 ILE HG1y 1.0 1.8 4.8 9 9 A 23 TRP HZ3 A 41 THR HG2% 1.0 1.8 5.4 10 10 A 23 TRP HE3 A 79 THR HG2% 1.0 1.8 5.4 11 11 A 27 ILE HD1% A 23 TRP HBx 1.0 1.8 5.4 12 12 A 23 TRP HBy A 79 THR HG2% 1.0 1.8 5.4 13 13 A 41 THR HB A 23 TRP HE3 1.0 1.8 3.6 14 14 A 79 THR HG2% A 23 TRP HBx 1.0 1.8 5.4 15 15 A 27 ILE HD1% A 23 TRP HE3 1.0 1.8 5.4 16 16 A 23 TRP HBy A 23 TRP HE3 1.0 1.8 3.6 17 17 A 27 ILE HD1% A 23 TRP HZ2 1.0 1.8 5.8 18 18 A 23 TRP HE3 A 41 THR HA 1.0 1.8 4.4 19 19 A 23 TRP HBy A 23 TRP HD1 1.0 1.8 3.6 20 20 A 23 TRP HZ3 A 39 ILE HG2% 1.0 1.8 4.6 21 21 A 27 ILE HD1% A 23 TRP HZ3 1.0 1.8 5.4 22 22 A 23 TRP HZ3 A 79 THR HG2% 1.0 1.8 5.4 23 23 A 23 TRP HE3 A 23 TRP HBx 1.0 1.8 3.6 24 24 A 23 TRP HBy A 23 TRP HBx 1.0 1.8 2.8 25 25 A 41 THR HG2% A 23 TRP HZ2 1.0 1.8 5.8 26 26 A 23 TRP HZ2 A 39 ILE HG2% 1.0 1.8 4.6 27 27 A 83 ALA HB% A 23 TRP HZ2 1.0 1.8 5.8 28 28 A 23 TRP HE3 A 39 ILE HG2% 1.0 1.8 5.8 29 29 A 23 TRP HH2 A 39 ILE HG2% 1.0 1.8 5.4 30 30 A 24 LYS HBy A 24 LYS HBx 1.0 1.8 2.4 31 31 A 42 ALA HA A 24 LYS HDx 1.0 1.8 5.3 32 31 A 24 LYS HDy A 42 ALA HA 1.0 1.8 5.3 33 32 A 24 LYS HDy A 43 ASN HA 1.0 1.8 4.4 34 33 A 24 LYS HBy A 24 LYS HGy 1.0 1.8 2.8 35 34 A 25 ASP HA A 25 ASP HBx 1.0 1.8 2.8 36 35 A 25 ASP HA A 79 THR HB 1.0 1.8 4.4 37 36 A 25 ASP HBx A 25 ASP HBy 1.0 1.8 2.8 38 37 A 25 ASP HBy A 44 ARG HGy 1.0 1.8 3.6 39 38 A 25 ASP HBy A 44 ARG HBx 1.0 1.8 3.6 40 39 A 79 THR HG2% A 25 ASP HA 1.0 1.8 5.8 41 40 A 43 ASN HA A 25 ASP HBx 1.0 1.8 3.6 42 41 A 25 ASP HBx A 44 ARG HGy 1.0 1.8 4.4 43 42 A 25 ASP HBx A 44 ARG HBx 1.0 1.8 4.4 44 43 A 25 ASP HA A 25 ASP HBy 1.0 1.8 2.8 45 44 A 42 ALA HB% A 26 CYS HBy 1.0 1.8 5.4 46 45 A 79 THR HG2% A 26 CYS HA 1.0 1.8 5.8 47 46 A 78 PHE HA A 26 CYS HBy 1.0 1.8 4.8 48 47 A 26 CYS HA A 26 CYS HBy 1.0 1.8 3.6 49 48 A 61 CYS HBy A 26 CYS HBx 1.0 1.8 4.8 50 49 A 61 CYS HA A 26 CYS HBx 1.0 1.8 4.8 51 50 A 26 CYS HA A 61 CYS HA 1.0 1.8 4.4 52 51 A 28 ILE HD1% A 26 CYS HBx 1.0 1.8 4.6 53 52 A 28 ILE HD1% A 26 CYS HBy 1.0 1.8 4.6 54 53 A 26 CYS HA A 78 PHE HBx 1.0 1.8 4.4 55 54 A 78 PHE HA A 26 CYS HBx 1.0 1.8 4.8 56 55 A 26 CYS HA A 78 PHE HD% 1.0 1.8 6.5 57 56 A 26 CYS HA A 78 PHE HA 1.0 1.8 2.8 58 57 A 26 CYS HA A 61 CYS HBx 1.0 1.8 4.8 59 58 A 26 CYS HA A 28 ILE HD1% 1.0 1.8 5.4 60 59 A 42 ALA HB% A 26 CYS HBx 1.0 1.8 5.4 61 60 A 26 CYS HBx A 57 VAL HGy% 1.0 1.8 5.8 62 61 A 26 CYS HA A 61 CYS HBy 1.0 1.8 4.8 63 62 A 26 CYS HA A 26 CYS HBx 1.0 1.8 3.6 64 63 A 61 CYS HA A 26 CYS HBy 1.0 1.8 4.8 65 64 A 26 CYS HBy A 57 VAL HGy% 1.0 1.8 5.8 66 65 A 27 ILE HG2% A 82 TYR HBy 1.0 1.8 5.4 67 66 A 27 ILE HD1% A 79 THR HG2% 1.0 1.8 5.6 68 67 A 27 ILE HG1y A 29 GLN HGx 1.0 1.8 4.8 69 68 A 27 ILE HD1% A 82 TYR HE% 1.0 1.8 7.6 70 69 A 27 ILE HD1% A 79 THR HA 1.0 1.8 3.8 71 70 A 27 ILE HG2% A 82 TYR HE% 1.0 1.8 7.6 72 71 A 27 ILE HD1% A 82 TYR HD% 1.0 1.8 7.5 73 72 A 27 ILE HA A 28 ILE HB 1.0 1.8 4.8 74 73 A 41 THR HG2% A 27 ILE HA 1.0 1.8 5.4 75 74 A 27 ILE HD1% A 82 TYR HBx 1.0 1.8 5.8 76 75 A 27 ILE HD1% A 27 ILE HA 1.0 1.8 5.8 77 76 A 27 ILE HD1% A 41 THR HG2% 1.0 1.8 5.6 78 77 A 27 ILE HG2% A 82 TYR HD% 1.0 1.8 7.9 79 78 A 27 ILE HG2% A 29 GLN HGy 1.0 1.8 5.4 80 79 A 27 ILE HD1% A 27 ILE HG2% 1.0 1.8 4.4 81 80 A 27 ILE HD1% A 27 ILE HG1y 1.0 1.8 3.8 82 81 A 27 ILE HD1% A 29 GLN HGx 1.0 1.8 5.8 83 82 A 27 ILE HD1% A 82 TYR HBy 1.0 1.8 5.8 84 83 A 27 ILE HD1% A 41 THR HB 1.0 1.8 5.4 85 84 A 27 ILE HG2% A 27 ILE HA 1.0 1.8 4.6 86 85 A 27 ILE HD1% A 39 ILE HG2% 1.0 1.8 5.6 87 86 A 27 ILE HD1% A 41 THR HA 1.0 1.8 5.8 88 87 A 27 ILE HG2% A 29 GLN HGx 1.0 1.8 5.8 89 88 A 27 ILE HB A 82 TYR HE% 1.0 1.8 6.5 90 89 A 27 ILE HD1% A 79 THR HB 1.0 1.8 5.4 91 90 A 41 THR HB A 27 ILE HG2% 1.0 1.8 5.4 92 91 A 27 ILE HG2% A 79 THR HA 1.0 1.8 3.8 93 92 A 28 ILE HD1% A 63 PRO HDx 1.0 1.8 5.8 94 93 A 28 ILE HG2% A 40 TYR HD% 1.0 1.8 6.7 95 94 A 28 ILE HB A 40 TYR HBx 1.0 1.8 4.4 96 95 A 28 ILE HB A 28 ILE HA 1.0 1.8 3.6 97 96 A 28 ILE HG2% A 40 TYR HBx 1.0 1.8 5.4 98 97 A 28 ILE HB A 28 ILE HG1x 1.0 1.8 3.6 99 98 A 28 ILE HD1% A 63 PRO HDy 1.0 1.8 5.4 100 99 A 28 ILE HG2% A 76 GLY HAy 1.0 1.8 5.4 101 100 A 28 ILE HG2% A 40 TYR HE% 1.0 1.8 7.6 102 101 A 28 ILE HB A 40 TYR HE% 1.0 1.8 6.5 103 102 A 41 THR HA A 28 ILE HB 1.0 1.8 4.8 104 103 A 28 ILE HD1% A 28 ILE HA 1.0 1.8 3.8 105 104 A 28 ILE HD1% A 76 GLY HAx 1.0 1.8 5.4 106 105 A 28 ILE HA A 76 GLY HAx 1.0 1.8 4.4 107 106 A 28 ILE HD1% A 76 GLY HAy 1.0 1.8 4.6 108 107 A 28 ILE HG2% A 28 ILE HA 1.0 1.8 4.6 109 108 A 28 ILE HG2% A 40 TYR HBy 1.0 1.8 5.4 110 109 A 28 ILE HA A 76 GLY HAy 1.0 1.8 3.6 111 110 A 28 ILE HB A 40 TYR HD% 1.0 1.8 4.9 112 111 A 39 ILE HD1% A 29 GLN HBy 1.0 1.8 5.4 113 112 A 31 TYR HE% A 29 GLN HBy 1.0 1.8 5.7 114 113 A 29 GLN HBx A 31 TYR HD% 1.0 1.8 5.7 115 114 A 29 GLN HBx A 29 GLN HGy 1.0 1.8 2.8 116 115 A 29 GLN HBx A 31 TYR HE% 1.0 1.8 5.7 117 116 A 29 GLN HA A 29 GLN HBx 1.0 1.8 3.6 118 117 A 29 GLN HBy A 75 SER HBy 1.0 1.8 6.6 119 117 A 75 SER HBx A 29 GLN HBy 1.0 1.8 6.6 120 117 A 29 GLN HBx A 75 SER HBx 1.0 1.8 6.6 121 117 A 29 GLN HBx A 75 SER HBy 1.0 1.8 6.6 122 118 A 31 TYR HE% A 29 GLN HGx 1.0 1.8 6.9 123 119 A 39 ILE HD1% A 29 GLN HGx 1.0 1.8 5.4 124 120 A 30 ARG HDy A 30 ARG HBy 1.0 1.8 4.4 125 121 A 40 TYR HE% A 30 ARG HBx 1.0 1.8 6.9 126 122 A 30 ARG HA A 30 ARG HDx 1.0 1.8 4.8 127 123 A 30 ARG HDy A 74 LEU HDx% 1.0 1.8 5.4 128 124 A 40 TYR HE% A 30 ARG HBy 1.0 1.8 6.5 129 125 A 40 TYR HD% A 30 ARG HDy 1.0 1.8 6.5 130 126 A 30 ARG HA A 30 ARG HBy 1.0 1.8 3.6 131 127 A 30 ARG HA A 30 ARG HGx 1.0 1.8 3.6 132 128 A 30 ARG HA A 74 LEU HBx 1.0 1.8 4.8 133 129 A 40 TYR HE% A 30 ARG HDy 1.0 1.8 4.9 134 130 A 40 TYR HD% A 30 ARG HBy 1.0 1.8 6.5 135 131 A 40 TYR HE% A 30 ARG HDx 1.0 1.8 4.9 136 132 A 30 ARG HDx A 38 ASN HBy 1.0 1.8 4.4 137 133 A 30 ARG HA A 74 LEU HA 1.0 1.8 3.6 138 134 A 30 ARG HDx A 30 ARG HBy 1.0 1.8 4.4 139 135 A 30 ARG HDy A 30 ARG HA 1.0 1.8 4.8 140 136 A 40 TYR HD% A 30 ARG HDx 1.0 1.8 6.5 141 137 A 30 ARG HDx A 74 LEU HDx% 1.0 1.8 5.4 142 138 A 30 ARG HDx A 50 ILE HG2% 1.0 1.8 5.4 143 139 A 30 ARG HDy A 50 ILE HD1% 1.0 1.8 5.8 144 140 A 40 TYR HD% A 30 ARG HA 1.0 1.8 6.5 145 141 A 30 ARG HDy A 30 ARG HDx 1.0 1.8 3.6 146 142 A 40 TYR HE% A 30 ARG HA 1.0 1.8 6.5 147 143 A 30 ARG HA A 30 ARG HGy 1.0 1.8 3.6 148 144 A 30 ARG HA A 38 ASN HBx 1.0 1.8 4.8 149 145 A 30 ARG HGx A 30 ARG HBy 1.0 1.8 4.4 150 146 A 40 TYR HE% A 30 ARG H 1.0 1.8 6.5 151 147 A 30 ARG HA A 74 LEU HDx% 1.0 1.8 4.6 152 148 A 40 TYR HD% A 30 ARG HGy 1.0 1.8 5.7 153 149 A 30 ARG HDx A 30 ARG HGx 1.0 1.8 4.4 154 150 A 30 ARG HDx A 38 ASN HBx 1.0 1.8 3.6 155 151 A 30 ARG HDx A 50 ILE HD1% 1.0 1.8 5.8 156 152 A 40 TYR HE% A 30 ARG HGy 1.0 1.8 5.7 157 153 A 73 VAL HGy% A 31 TYR HD% 1.0 1.8 6.7 158 154 A 73 VAL HGy% A 31 TYR HE% 1.0 1.8 7.6 159 155 A 31 TYR HD% A 75 SER HBy 1.0 1.8 6.9 160 155 A 31 TYR HE% A 75 SER HBy 1.0 1.8 6.9 161 155 A 75 SER HBx A 31 TYR HE% 1.0 1.8 6.9 162 155 A 75 SER HBx A 31 TYR HD% 1.0 1.8 6.9 163 156 A 31 TYR HE% A 36 VAL HGx% 1.0 1.8 6.8 164 156 A 31 TYR HE% A 36 VAL HGy% 1.0 1.8 6.8 165 156 A 31 TYR HD% A 36 VAL HGy% 1.0 1.8 6.8 166 156 A 31 TYR HD% A 36 VAL HGx% 1.0 1.8 6.8 167 157 A 73 VAL HGx% A 31 TYR HBx 1.0 1.8 5.4 168 158 A 31 TYR HA A 31 TYR HBy 1.0 1.8 2.8 169 159 A 31 TYR HE% A 73 VAL HGx% 1.0 1.8 6.8 170 160 A 31 TYR HE% A 31 TYR HA 1.0 1.8 4.9 171 161 A 31 TYR HD% A 31 TYR HA 1.0 1.8 4.9 172 162 A 31 TYR HA A 36 VAL HGx% 1.0 1.8 5.8 173 162 A 36 VAL HGy% A 31 TYR HA 1.0 1.8 5.8 174 163 A 36 VAL HA A 31 TYR HBx 1.0 1.8 4.4 175 164 A 73 VAL HGx% A 31 TYR HBy 1.0 1.8 5.4 176 165 A 31 TYR HD% A 34 GLY HAy 1.0 1.8 6.9 177 166 A 31 TYR HD% A 36 VAL HB 1.0 1.8 4.9 178 167 A 31 TYR HD% A 73 VAL HGx% 1.0 1.8 6.7 179 168 A 31 TYR HE% A 36 VAL HB 1.0 1.8 5.7 180 169 A 31 TYR HE% A 31 TYR HBx 1.0 1.8 5.7 181 170 A 36 VAL HA A 31 TYR HBy 1.0 1.8 4.4 182 171 A 31 TYR HE% A 31 TYR HBy 1.0 1.8 5.7 183 172 A 31 TYR HD% A 31 TYR HBy 1.0 1.8 4.9 184 173 A 31 TYR HE% A 75 SER H 1.0 1.8 5.7 185 174 A 73 VAL HGy% A 31 TYR HBx 1.0 1.8 5.4 186 175 A 31 TYR HA A 36 VAL HB 1.0 1.8 4.4 187 176 A 31 TYR HA A 36 VAL HA 1.0 1.8 3.6 188 177 A 73 VAL HGx% A 31 TYR HA 1.0 1.8 5.4 189 178 A 31 TYR HA A 31 TYR HBx 1.0 1.8 3.6 190 179 A 73 VAL HB A 31 TYR HBx 1.0 1.8 3.6 191 180 A 31 TYR HE% A 36 VAL HA 1.0 1.8 5.7 192 181 A 31 TYR HD% A 36 VAL HA 1.0 1.8 5.7 193 182 A 31 TYR HD% A 31 TYR HBx 1.0 1.8 4.9 194 183 A 73 VAL HB A 31 TYR HBy 1.0 1.8 3.6 195 184 A 32 LYS HA A 32 LYS HBx 1.0 1.8 2.8 196 185 A 32 LYS HGy A 32 LYS HBy 1.0 1.8 2.8 197 186 A 32 LYS HA A 32 LYS HBy 1.0 1.8 2.8 198 187 A 32 LYS HGx A 37 ASN HBx 1.0 1.8 3.6 199 188 A 37 ASN HBy A 32 LYS HBy 1.0 1.8 4.4 200 189 A 32 LYS HGy A 72 SER HBy 1.0 1.8 3.6 201 190 A 37 ASN HBy A 32 LYS HBx 1.0 1.8 3.6 202 191 A 37 ASN HBx A 32 LYS HBy 1.0 1.8 4.4 203 192 A 32 LYS HGx A 32 LYS HBx 1.0 1.8 2.8 204 193 A 32 LYS HA A 32 LYS HGx 1.0 1.8 3.6 205 194 A 32 LYS HA A 32 LYS HGy 1.0 1.8 3.6 206 195 A 32 LYS HGy A 37 ASN HBy 1.0 1.8 4.8 207 196 A 32 LYS HGy A 32 LYS HGx 1.0 1.8 2.8 208 197 A 32 LYS HGy A 32 LYS HBx 1.0 1.8 3.6 209 198 A 33 ASP HA A 33 ASP HBy 1.0 1.8 2.8 210 199 A 33 ASP HA A 33 ASP HBx 1.0 1.8 2.8 211 200 A 34 GLY HAy A 34 GLY HAx 1.0 1.8 2.4 212 201 A 35 ASP HA A 35 ASP HBx 1.0 1.8 3.6 213 202 A 35 ASP HA A 35 ASP HBy 1.0 1.8 3.6 214 203 A 36 VAL HA A 36 VAL HB 1.0 1.8 2.8 215 204 A 36 VAL HA A 36 VAL HGx% 1.0 1.8 4.4 216 204 A 36 VAL HGy% A 36 VAL HA 1.0 1.8 4.4 217 205 A 37 ASN HBy A 37 ASN HA 1.0 1.8 2.8 218 206 A 37 ASN HBx A 37 ASN HA 1.0 1.8 2.4 219 207 A 40 TYR HE% A 38 ASN HBx 1.0 1.8 6.5 220 208 A 38 ASN HBy A 38 ASN HBx 1.0 1.8 2.8 221 209 A 40 TYR HD% A 38 ASN HBx 1.0 1.8 6.5 222 210 A 39 ILE HD1% A 39 ILE HA 1.0 1.8 5.8 223 211 A 39 ILE HA A 39 ILE HB 1.0 1.8 3.6 224 212 A 40 TYR HBx A 40 TYR HA 1.0 1.8 3.6 225 213 A 40 TYR HD% A 50 ILE HG2% 1.0 1.8 7.5 226 214 A 40 TYR HD% A 40 TYR HBx 1.0 1.8 4.9 227 215 A 40 TYR HBx A 40 TYR HE% 1.0 1.8 5.7 228 216 A 40 TYR HBy A 40 TYR HA 1.0 1.8 3.6 229 217 A 40 TYR HD% A 40 TYR HBy 1.0 1.8 4.9 230 218 A 40 TYR HE% A 74 LEU HDx% 1.0 1.8 6.8 231 219 A 40 TYR HE% A 40 TYR HBy 1.0 1.8 4.9 232 220 A 40 TYR HE% A 50 ILE HG1y 1.0 1.8 6.5 233 221 A 40 TYR HBx A 48 ILE HG2% 1.0 1.8 5.8 234 222 A 40 TYR HE% A 50 ILE HG1x 1.0 1.8 6.5 235 223 A 40 TYR HD% A 50 ILE HG1x 1.0 1.8 6.5 236 224 A 40 TYR HBx A 40 TYR HBy 1.0 1.8 3.6 237 225 A 40 TYR HE% A 50 ILE HG2% 1.0 1.8 7.6 238 226 A 40 TYR HE% A 40 TYR HA 1.0 1.8 5.7 239 227 A 40 TYR HD% A 48 ILE HD1% 1.0 1.8 7.5 240 228 A 40 TYR HD% A 40 TYR HA 1.0 1.8 4.9 241 229 A 40 TYR HE% A 50 ILE HD1% 1.0 1.8 7.6 242 230 A 40 TYR HD% A 74 LEU HDx% 1.0 1.8 7.5 243 231 A 40 TYR HD% A 50 ILE HG1y 1.0 1.8 6.5 244 232 A 40 TYR HD% A 50 ILE HD1% 1.0 1.8 7.5 245 233 A 40 TYR HE% A 48 ILE HD1% 1.0 1.8 7.6 246 234 A 40 TYR HBx A 48 ILE HD1% 1.0 1.8 5.4 247 235 A 41 THR HB A 41 THR HA 1.0 1.8 2.4 248 236 A 41 THR HG2% A 41 THR HA 1.0 1.8 3.8 249 237 A 42 ALA HB% A 57 VAL HGx% 1.0 1.8 5.6 250 238 A 42 ALA HB% A 46 GLU HGx 1.0 1.8 5.4 251 239 A 42 ALA HB% A 57 VAL HA 1.0 1.8 5.8 252 240 A 42 ALA HB% A 57 VAL HB 1.0 1.8 4.6 253 241 A 42 ALA HB% A 46 GLU HBx 1.0 1.8 4.6 254 242 A 42 ALA HA A 42 ALA HB% 1.0 1.8 3.2 255 243 A 42 ALA HB% A 48 ILE HG2% 1.0 1.8 5.6 256 244 A 42 ALA HB% A 57 VAL HGy% 1.0 1.8 5.6 257 245 A 42 ALA HA A 48 ILE HG2% 1.0 1.8 5.4 258 246 A 42 ALA HB% A 46 GLU HBy 1.0 1.8 5.8 259 247 A 43 ASN HA A 43 ASN HBx 1.0 1.8 4.8 260 248 A 46 GLU HBy A 43 ASN HBy 1.0 1.8 3.6 261 249 A 46 GLU HBx A 43 ASN HBx 1.0 1.8 4.4 262 250 A 46 GLU HBx A 43 ASN HBy 1.0 1.8 4.4 263 251 A 59 GLU HA A 44 ARG HDx 1.0 1.8 4.4 264 252 A 78 PHE HD% A 44 ARG HDy 1.0 1.8 6.9 265 252 A 78 PHE HE% A 44 ARG HDy 1.0 1.8 6.9 266 252 A 44 ARG HDx A 78 PHE HE% 1.0 1.8 6.9 267 252 A 44 ARG HDx A 78 PHE HD% 1.0 1.8 6.9 268 253 A 44 ARG HA A 44 ARG HBy 1.0 1.8 2.8 269 254 A 59 GLU HA A 44 ARG HDy 1.0 1.8 4.4 270 255 A 78 PHE HE% A 44 ARG HBx 1.0 1.8 6.5 271 256 A 59 GLU HA A 44 ARG HBy 1.0 1.8 3.6 272 257 A 78 PHE HD% A 44 ARG HBx 1.0 1.8 6.5 273 258 A 44 ARG HDy A 59 GLU HBy 1.0 1.8 4.4 274 259 A 44 ARG HBy A 59 GLU HBy 1.0 1.8 4.8 275 260 A 59 GLU HA A 44 ARG HA 1.0 1.8 3.6 276 261 A 44 ARG HDx A 59 GLU HBy 1.0 1.8 4.4 277 262 A 44 ARG HA A 57 VAL HGx% 1.0 1.8 4.6 278 263 A 59 GLU HA A 44 ARG HBx 1.0 1.8 3.6 279 264 A 59 GLU HA A 44 ARG HGy 1.0 1.8 5.3 280 264 A 59 GLU HA A 44 ARG HGx 1.0 1.8 5.3 281 265 A 45 ASN HA A 56 PHE HZ 1.0 1.8 4.4 282 266 A 45 ASN HA A 45 ASN HBy 1.0 1.8 2.8 283 267 A 45 ASN HBx A 45 ASN HBy 1.0 1.8 2.4 284 268 A 45 ASN HA A 45 ASN HBx 1.0 1.8 2.8 285 269 A 58 ASN HA A 45 ASN HBy 1.0 1.8 4.4 286 270 A 45 ASN HA A 56 PHE HE% 1.0 1.8 4.9 287 271 A 56 PHE HE% A 45 ASN HBy 1.0 1.8 7.7 288 271 A 56 PHE HD% A 45 ASN HBy 1.0 1.8 7.7 289 271 A 45 ASN HBx A 56 PHE HE% 1.0 1.8 7.7 290 271 A 45 ASN HBx A 56 PHE HD% 1.0 1.8 7.7 291 272 A 45 ASN HA A 56 PHE HD% 1.0 1.8 5.7 292 273 A 45 ASN HA A 57 VAL HGx% 1.0 1.8 5.8 293 274 A 46 GLU HGx A 46 GLU HA 1.0 1.8 3.6 294 275 A 46 GLU HBx A 46 GLU HA 1.0 1.8 3.6 295 276 A 46 GLU HGx A 46 GLU HBy 1.0 1.8 3.6 296 277 A 46 GLU HBy A 46 GLU HGy 1.0 1.8 3.6 297 278 A 48 ILE HG2% A 46 GLU HBx 1.0 1.8 5.4 298 279 A 46 GLU HA A 46 GLU HGy 1.0 1.8 3.6 299 280 A 46 GLU HBy A 46 GLU HA 1.0 1.8 3.6 300 281 A 48 ILE HG2% A 46 GLU HGy 1.0 1.8 5.4 301 282 A 48 ILE HG2% A 46 GLU HGx 1.0 1.8 5.4 302 283 A 46 GLU HBx A 46 GLU HGy 1.0 1.8 4.8 303 284 A 47 GLU HA A 47 GLU HBx 1.0 1.8 3.3 304 284 A 47 GLU HA A 47 GLU HBy 1.0 1.8 3.3 305 285 A 56 PHE HA A 47 GLU HBx 1.0 1.8 4.5 306 285 A 47 GLU HBy A 56 PHE HA 1.0 1.8 4.5 307 286 A 56 PHE HE% A 47 GLU HBx 1.0 1.8 6.9 308 286 A 56 PHE HE% A 47 GLU HBy 1.0 1.8 6.9 309 286 A 56 PHE HD% A 47 GLU HBy 1.0 1.8 6.9 310 286 A 56 PHE HD% A 47 GLU HBx 1.0 1.8 6.9 311 287 A 47 GLU HA A 47 GLU HGx 1.0 1.8 4.5 312 287 A 47 GLU HA A 47 GLU HGy 1.0 1.8 4.5 313 288 A 47 GLU HGx A 54 LYS HBy 1.0 1.8 6.2 314 288 A 47 GLU HGy A 54 LYS HBy 1.0 1.8 6.2 315 288 A 54 LYS HBx A 47 GLU HGx 1.0 1.8 6.2 316 288 A 47 GLU HGy A 54 LYS HBx 1.0 1.8 6.2 317 289 A 47 GLU HBx A 56 PHE HBy 1.0 1.8 5.4 318 289 A 47 GLU HBy A 56 PHE HBy 1.0 1.8 5.4 319 289 A 56 PHE HBx A 47 GLU HBx 1.0 1.8 5.4 320 289 A 47 GLU HBy A 56 PHE HBx 1.0 1.8 5.4 321 290 A 48 ILE HG2% A 47 GLU HA 1.0 1.8 5.4 322 291 A 47 GLU HGy A 55 VAL HGy% 1.0 1.8 8.0 323 291 A 47 GLU HGx A 55 VAL HGy% 1.0 1.8 8.0 324 291 A 55 VAL HGx% A 47 GLU HGx 1.0 1.8 8.0 325 291 A 47 GLU HGy A 55 VAL HGx% 1.0 1.8 8.0 326 292 A 47 GLU HA A 55 VAL HB 1.0 1.8 4.8 327 293 A 47 GLU HGx A 56 PHE HBy 1.0 1.8 6.2 328 293 A 47 GLU HGy A 56 PHE HBy 1.0 1.8 6.2 329 293 A 56 PHE HBx A 47 GLU HGx 1.0 1.8 6.2 330 293 A 47 GLU HGy A 56 PHE HBx 1.0 1.8 6.2 331 294 A 56 PHE HD% A 47 GLU HGx 1.0 1.8 7.7 332 294 A 56 PHE HE% A 47 GLU HGx 1.0 1.8 7.7 333 294 A 56 PHE HE% A 47 GLU HGy 1.0 1.8 7.7 334 294 A 56 PHE HD% A 47 GLU HGy 1.0 1.8 7.7 335 295 A 56 PHE HA A 47 GLU HGx 1.0 1.8 5.3 336 295 A 56 PHE HA A 47 GLU HGy 1.0 1.8 5.3 337 296 A 56 PHE HD% A 47 GLU HA 1.0 1.8 4.9 338 297 A 47 GLU HA A 56 PHE HBy 1.0 1.8 4.8 339 298 A 47 GLU HA A 56 PHE HBx 1.0 1.8 4.8 340 299 A 47 GLU HBx A 47 GLU HGx 1.0 1.8 4.0 341 299 A 47 GLU HBy A 47 GLU HGx 1.0 1.8 4.0 342 299 A 47 GLU HGy A 47 GLU HBx 1.0 1.8 4.0 343 299 A 47 GLU HBy A 47 GLU HGy 1.0 1.8 4.0 344 300 A 47 GLU HA A 57 VAL HGy% 1.0 1.8 5.4 345 301 A 47 GLU HA A 56 PHE HA 1.0 1.8 2.8 346 302 A 47 GLU HBx A 55 VAL HGy% 1.0 1.8 8.0 347 302 A 47 GLU HBy A 55 VAL HGy% 1.0 1.8 8.0 348 302 A 55 VAL HGx% A 47 GLU HBx 1.0 1.8 8.0 349 302 A 47 GLU HBy A 55 VAL HGx% 1.0 1.8 8.0 350 303 A 48 ILE HD1% A 48 ILE HA 1.0 1.8 5.4 351 304 A 48 ILE HA A 48 ILE HB 1.0 1.8 2.8 352 305 A 55 VAL HB A 48 ILE HG1x 1.0 1.8 4.8 353 306 A 50 ILE HD1% A 48 ILE HG1x 1.0 1.8 5.8 354 307 A 48 ILE HB A 48 ILE HG1x 1.0 1.8 3.6 355 308 A 48 ILE HG2% A 48 ILE HA 1.0 1.8 4.6 356 309 A 48 ILE HA A 48 ILE HG1x 1.0 1.8 4.4 357 310 A 56 PHE HD% A 48 ILE H 1.0 1.8 6.5 358 311 A 48 ILE HG1y A 48 ILE HG1x 1.0 1.8 2.8 359 312 A 48 ILE HG1x A 55 VAL HGy% 1.0 1.8 8.0 360 312 A 48 ILE HG1y A 55 VAL HGy% 1.0 1.8 8.0 361 312 A 55 VAL HGx% A 48 ILE HG1x 1.0 1.8 8.0 362 312 A 55 VAL HGx% A 48 ILE HG1y 1.0 1.8 8.0 363 313 A 50 ILE HD1% A 48 ILE HB 1.0 1.8 5.8 364 314 A 54 LYS HBx A 49 THR HG2% 1.0 1.8 5.4 365 315 A 49 THR HG2% A 54 LYS HBy 1.0 1.8 4.6 366 316 A 49 THR HG2% A 52 GLU HA 1.0 1.8 4.6 367 317 A 49 THR HG2% A 49 THR HA 1.0 1.8 3.4 368 318 A 49 THR HA A 54 LYS HBy 1.0 1.8 4.4 369 319 A 49 THR HA A 54 LYS HA 1.0 1.8 4.4 370 320 A 49 THR HG2% A 49 THR HB 1.0 1.8 3.2 371 321 A 49 THR HA A 49 THR HB 1.0 1.8 2.8 372 322 A 49 THR HA A 55 VAL HGy% 1.0 1.8 7.1 373 322 A 55 VAL HGx% A 49 THR HA 1.0 1.8 7.1 374 323 A 49 THR HG2% A 53 TYR HA 1.0 1.8 5.4 375 324 A 50 ILE HG1y A 55 VAL HGx% 1.0 1.8 5.4 376 325 A 50 ILE HD1% A 55 VAL HB 1.0 1.8 5.4 377 326 A 50 ILE HD1% A 50 ILE HB 1.0 1.8 3.8 378 327 A 50 ILE HD1% A 50 ILE HA 1.0 1.8 4.6 379 328 A 50 ILE HD1% A 55 VAL HGx% 1.0 1.8 5.6 380 329 A 50 ILE HD1% A 55 VAL HGy% 1.0 1.8 5.6 381 330 A 50 ILE HG2% A 50 ILE HG1y 1.0 1.8 3.8 382 331 A 50 ILE HG2% A 50 ILE HA 1.0 1.8 3.4 383 332 A 50 ILE HD1% A 74 LEU HDy% 1.0 1.8 4.8 384 333 A 50 ILE HG1y A 50 ILE HA 1.0 1.8 2.8 385 334 A 50 ILE HD1% A 53 TYR HD% 1.0 1.8 7.5 386 335 A 50 ILE HD1% A 68 LEU HDx% 1.0 1.8 6.4 387 336 A 50 ILE HG1x A 50 ILE HA 1.0 1.8 2.8 388 337 A 50 ILE HD1% A 50 ILE HG1y 1.0 1.8 3.2 389 338 A 50 ILE HB A 50 ILE HA 1.0 1.8 3.6 390 339 A 50 ILE HD1% A 74 LEU HBy 1.0 1.8 5.8 391 340 A 50 ILE HB A 55 VAL HGy% 1.0 1.8 6.7 392 340 A 55 VAL HGx% A 50 ILE HB 1.0 1.8 6.7 393 341 A 50 ILE HD1% A 74 LEU HG 1.0 1.8 5.8 394 342 A 50 ILE HG1y A 50 ILE HB 1.0 1.8 3.6 395 343 A 51 GLU HBx A 53 TYR HD% 1.0 1.8 5.7 396 344 A 51 GLU HBx A 53 TYR HE% 1.0 1.8 6.5 397 345 A 53 TYR HD% A 51 GLU HGy 1.0 1.8 6.9 398 345 A 53 TYR HE% A 51 GLU HGy 1.0 1.8 6.9 399 345 A 51 GLU HGx A 53 TYR HE% 1.0 1.8 6.9 400 345 A 51 GLU HGx A 53 TYR HD% 1.0 1.8 6.9 401 346 A 51 GLU HGx A 51 GLU HA 1.0 1.8 3.6 402 347 A 53 TYR HE% A 51 GLU HA 1.0 1.8 6.5 403 348 A 53 TYR HE% A 51 GLU HGy 1.0 1.8 6.5 404 349 A 53 TYR HD% A 51 GLU HGy 1.0 1.8 6.5 405 350 A 51 GLU HBx A 51 GLU HA 1.0 1.8 3.6 406 351 A 52 GLU HA A 52 GLU HBx 1.0 1.8 5.3 407 351 A 52 GLU HA A 52 GLU HBy 1.0 1.8 5.3 408 352 A 52 GLU HGy A 52 GLU HBx 1.0 1.8 2.8 409 353 A 52 GLU HA A 52 GLU HGx 1.0 1.8 4.4 410 354 A 53 TYR HE% A 52 GLU HBx 1.0 1.8 7.7 411 354 A 53 TYR HD% A 52 GLU HBx 1.0 1.8 7.7 412 354 A 53 TYR HE% A 52 GLU HBy 1.0 1.8 7.7 413 354 A 53 TYR HD% A 52 GLU HBy 1.0 1.8 7.7 414 355 A 52 GLU HBy A 52 GLU HGy 1.0 1.8 2.2 415 356 A 52 GLU HA A 53 TYR HE% 1.0 1.8 6.9 416 357 A 52 GLU HA A 52 GLU HGy 1.0 1.8 4.4 417 358 A 53 TYR HA A 53 TYR HBy 1.0 1.8 3.6 418 359 A 53 TYR HE% A 53 TYR HBy 1.0 1.8 5.7 419 360 A 53 TYR HD% A 53 TYR HBy 1.0 1.8 4.9 420 361 A 53 TYR HBy A 68 LEU HDy% 1.0 1.8 4.6 421 362 A 53 TYR HE% A 68 LEU HDy% 1.0 1.8 6.8 422 363 A 53 TYR HD% A 68 LEU HDy% 1.0 1.8 6.7 423 364 A 53 TYR HE% A 68 LEU HBx 1.0 1.8 7.7 424 364 A 53 TYR HD% A 68 LEU HBx 1.0 1.8 7.7 425 364 A 53 TYR HE% A 68 LEU HBy 1.0 1.8 7.7 426 364 A 53 TYR HD% A 68 LEU HBy 1.0 1.8 7.7 427 365 A 53 TYR HE% A 69 PRO HBy 1.0 1.8 6.5 428 366 A 68 LEU HDy% A 53 TYR HBx 1.0 1.8 4.6 429 367 A 53 TYR HE% A 68 LEU HDx% 1.0 1.8 6.8 430 368 A 53 TYR HD% A 69 PRO HBy 1.0 1.8 6.5 431 369 A 53 TYR HD% A 68 LEU HDx% 1.0 1.8 6.7 432 370 A 53 TYR HE% A 69 PRO HBx 1.0 1.8 6.5 433 371 A 53 TYR HD% A 69 PRO HDx 1.0 1.8 7.7 434 371 A 53 TYR HE% A 69 PRO HDx 1.0 1.8 7.7 435 371 A 53 TYR HE% A 69 PRO HDy 1.0 1.8 7.7 436 371 A 53 TYR HD% A 69 PRO HDy 1.0 1.8 7.7 437 372 A 53 TYR HE% A 69 PRO HA 1.0 1.8 6.5 438 373 A 53 TYR HD% A 68 LEU HA 1.0 1.8 6.5 439 374 A 53 TYR HE% A 68 LEU HA 1.0 1.8 6.5 440 375 A 53 TYR HA A 53 TYR HE% 1.0 1.8 5.7 441 376 A 53 TYR HBy A 55 VAL HGy% 1.0 1.8 7.6 442 376 A 53 TYR HBx A 55 VAL HGy% 1.0 1.8 7.6 443 376 A 55 VAL HGx% A 53 TYR HBx 1.0 1.8 7.6 444 376 A 55 VAL HGx% A 53 TYR HBy 1.0 1.8 7.6 445 377 A 53 TYR HA A 53 TYR HD% 1.0 1.8 4.9 446 378 A 53 TYR HE% A 53 TYR HBx 1.0 1.8 5.7 447 379 A 53 TYR HD% A 53 TYR HBx 1.0 1.8 4.9 448 380 A 53 TYR HD% A 69 PRO HBx 1.0 1.8 6.5 449 381 A 54 LYS HGx A 54 LYS HBy 1.0 1.8 2.4 450 382 A 54 LYS HBx A 54 LYS HA 1.0 1.8 2.8 451 383 A 54 LYS HA A 54 LYS HGy 1.0 1.8 4.4 452 384 A 54 LYS HA A 54 LYS HGx 1.0 1.8 4.4 453 385 A 54 LYS HBx A 54 LYS HBy 1.0 1.8 2.4 454 386 A 54 LYS HA A 54 LYS HBy 1.0 1.8 2.8 455 387 A 54 LYS HGx A 54 LYS HGy 1.0 1.8 2.2 456 388 A 54 LYS HBx A 54 LYS HGy 1.0 1.8 2.8 457 389 A 55 VAL HA A 65 PRO HDx 1.0 1.8 4.4 458 390 A 55 VAL HGx% A 65 PRO HDy 1.0 1.8 6.8 459 390 A 55 VAL HGy% A 65 PRO HDy 1.0 1.8 6.8 460 390 A 65 PRO HDx A 55 VAL HGy% 1.0 1.8 6.8 461 390 A 55 VAL HGx% A 65 PRO HDx 1.0 1.8 6.8 462 391 A 55 VAL HA A 55 VAL HGy% 1.0 1.8 5.1 463 391 A 55 VAL HGx% A 55 VAL HA 1.0 1.8 5.1 464 392 A 55 VAL HA A 65 PRO HDy 1.0 1.8 4.4 465 393 A 55 VAL HGy% A 57 VAL HGy% 1.0 1.8 8.2 466 393 A 55 VAL HGx% A 57 VAL HGy% 1.0 1.8 8.2 467 393 A 57 VAL HGx% A 55 VAL HGy% 1.0 1.8 8.2 468 393 A 55 VAL HGx% A 57 VAL HGx% 1.0 1.8 8.2 469 394 A 55 VAL HGy% A 65 PRO HGx 1.0 1.8 7.6 470 394 A 55 VAL HGx% A 65 PRO HGx 1.0 1.8 7.6 471 394 A 65 PRO HGy A 55 VAL HGy% 1.0 1.8 7.6 472 394 A 55 VAL HGx% A 65 PRO HGy 1.0 1.8 7.6 473 395 A 56 PHE HD% A 56 PHE HA 1.0 1.8 4.9 474 396 A 56 PHE HD% A 56 PHE HBy 1.0 1.8 4.9 475 397 A 56 PHE HE% A 58 ASN HBx 1.0 1.8 5.7 476 398 A 56 PHE HBx A 56 PHE HBy 1.0 1.8 2.8 477 399 A 56 PHE HE% A 56 PHE HBy 1.0 1.8 5.7 478 400 A 56 PHE HE% A 58 ASN H 1.0 1.8 6.5 479 401 A 56 PHE HD% A 57 VAL HGx% 1.0 1.8 7.9 480 402 A 56 PHE HD% A 57 VAL HGy% 1.0 1.8 7.9 481 403 A 56 PHE HA A 56 PHE HBx 1.0 1.8 3.6 482 404 A 56 PHE HD% A 56 PHE HBx 1.0 1.8 4.9 483 405 A 56 PHE HD% A 58 ASN HBx 1.0 1.8 5.7 484 406 A 57 VAL HA A 56 PHE HD% 1.0 1.8 6.9 485 407 A 58 ASN HA A 56 PHE HD% 1.0 1.8 5.7 486 408 A 56 PHE HD% A 56 PHE H 1.0 1.8 5.7 487 409 A 56 PHE HZ A 58 ASN HA 1.0 1.8 4.4 488 410 A 56 PHE HE% A 56 PHE HA 1.0 1.8 6.9 489 411 A 58 ASN HA A 56 PHE HE% 1.0 1.8 5.7 490 412 A 56 PHE HD% A 64 TYR H 1.0 1.8 5.7 491 413 A 56 PHE H A 64 TYR HD% 1.0 1.8 5.7 492 414 A 56 PHE HE% A 56 PHE HBx 1.0 1.8 4.9 493 415 A 56 PHE HA A 56 PHE HBy 1.0 1.8 3.6 494 416 A 57 VAL HA A 56 PHE HA 1.0 1.8 4.8 495 417 A 56 PHE HD% A 57 VAL H 1.0 1.8 6.5 496 418 A 57 VAL HA A 57 VAL HB 1.0 1.8 3.6 497 419 A 61 CYS HA A 57 VAL HGy% 1.0 1.8 5.4 498 420 A 57 VAL HA A 57 VAL HGy% 1.0 1.8 3.8 499 421 A 63 PRO HA A 57 VAL HGy% 1.0 1.8 5.4 500 422 A 57 VAL HA A 63 PRO HA 1.0 1.8 2.8 501 423 A 57 VAL HA A 57 VAL HGx% 1.0 1.8 3.8 502 424 A 57 VAL HGx% A 63 PRO HA 1.0 1.8 5.4 503 425 A 61 CYS HBx A 57 VAL HGx% 1.0 1.8 5.4 504 426 A 57 VAL HB A 57 VAL HGy% 1.0 1.8 3.8 505 427 A 57 VAL HB A 57 VAL HGx% 1.0 1.8 3.8 506 428 A 59 GLU HA A 57 VAL HGx% 1.0 1.8 5.8 507 429 A 57 VAL HGx% A 62 HIS HA 1.0 1.8 4.6 508 430 A 61 CYS HA A 57 VAL HGx% 1.0 1.8 5.4 509 431 A 58 ASN HA A 58 ASN HBx 1.0 1.8 2.8 510 432 A 58 ASN HBx A 58 ASN HBy 1.0 1.8 3.6 511 433 A 58 ASN HA A 58 ASN HBy 1.0 1.8 3.6 512 434 A 59 GLU HA A 59 GLU HBy 1.0 1.8 3.3 513 434 A 59 GLU HA A 59 GLU HBx 1.0 1.8 3.3 514 435 A 59 GLU HA A 59 GLU HGx 1.0 1.8 3.6 515 436 A 78 PHE HE% A 60 ALA HB% 1.0 1.8 7.6 516 437 A 78 PHE HD% A 60 ALA HB% 1.0 1.8 6.7 517 438 A 61 CYS HBy A 61 CYS HA 1.0 1.8 3.6 518 439 A 78 PHE HA A 61 CYS HBy 1.0 1.8 4.8 519 440 A 61 CYS HBy A 77 ASP HA 1.0 1.8 4.8 520 441 A 61 CYS HBy A 78 PHE HD% 1.0 1.8 6.5 521 442 A 61 CYS HBx A 77 ASP HA 1.0 1.8 4.8 522 443 A 61 CYS HA A 61 CYS HBx 1.0 1.8 3.6 523 444 A 62 HIS HA A 63 PRO HDx 1.0 1.8 3.6 524 445 A 62 HIS HA A 62 HIS HD2 1.0 1.8 3.6 525 446 A 62 HIS HA A 62 HIS HBx 1.0 1.8 3.6 526 447 A 62 HIS HD2 A 62 HIS HBx 1.0 1.8 5.3 527 447 A 62 HIS HD2 A 62 HIS HBy 1.0 1.8 5.3 528 448 A 64 TYR HE% A 62 HIS HBx 1.0 1.8 5.7 529 449 A 62 HIS HE1 A 66 VAL HG21 1.0 1.8 6.7 530 449 A 62 HIS HE1 A 66 VAL HGx% 1.0 1.8 6.7 531 450 A 62 HIS HD2 A 63 PRO HDy 1.0 1.8 4.4 532 451 A 62 HIS HD2 A 63 PRO HDx 1.0 1.8 4.4 533 452 A 76 GLY HAx A 62 HIS HA 1.0 1.8 4.4 534 453 A 62 HIS HA A 63 PRO HDy 1.0 1.8 3.6 535 454 A 76 GLY HAy A 62 HIS HD2 1.0 1.8 4.8 536 455 A 62 HIS HD2 A 66 VAL HG21 1.0 1.8 7.1 537 455 A 62 HIS HD2 A 66 VAL HGx% 1.0 1.8 7.1 538 456 A 62 HIS HBx A 63 PRO HDy 1.0 1.8 4.8 539 457 A 63 PRO HDx A 62 HIS HBx 1.0 1.8 4.8 540 458 A 76 GLY HAy A 62 HIS HA 1.0 1.8 4.4 541 459 A 62 HIS HA A 62 HIS HBy 1.0 1.8 3.6 542 460 A 63 PRO HDy A 63 PRO HGx 1.0 1.8 4.8 543 461 A 63 PRO HDy A 63 PRO HGx 1.0 1.8 5.4 544 461 A 63 PRO HDx A 63 PRO HGx 1.0 1.8 5.4 545 461 A 63 PRO HGy A 63 PRO HDy 1.0 1.8 5.4 546 461 A 63 PRO HGy A 63 PRO HDx 1.0 1.8 5.4 547 462 A 63 PRO HBy A 63 PRO HDy 1.0 1.8 5.4 548 462 A 63 PRO HBx A 63 PRO HDy 1.0 1.8 5.4 549 462 A 63 PRO HDx A 63 PRO HBy 1.0 1.8 5.4 550 462 A 63 PRO HDx A 63 PRO HBx 1.0 1.8 5.4 551 463 A 76 GLY HAy A 63 PRO HDy 1.0 1.8 4.4 552 464 A 76 GLY HAy A 63 PRO HDx 1.0 1.8 4.4 553 465 A 63 PRO HDx A 66 VAL HG21 1.0 1.8 7.5 554 465 A 63 PRO HDy A 66 VAL HG21 1.0 1.8 7.5 555 465 A 66 VAL HGx% A 63 PRO HDy 1.0 1.8 7.5 556 465 A 66 VAL HGx% A 63 PRO HDx 1.0 1.8 7.5 557 466 A 74 LEU HDy% A 63 PRO HA 1.0 1.8 5.8 558 467 A 63 PRO HBx A 63 PRO HGx 1.0 1.8 5.4 559 467 A 63 PRO HBy A 63 PRO HGx 1.0 1.8 5.4 560 467 A 63 PRO HGy A 63 PRO HBy 1.0 1.8 5.4 561 467 A 63 PRO HGy A 63 PRO HBx 1.0 1.8 5.4 562 468 A 64 TYR HE% A 64 TYR HBx 1.0 1.8 5.7 563 469 A 66 VAL HB A 64 TYR HD% 1.0 1.8 6.5 564 470 A 64 TYR HD% A 64 TYR HBx 1.0 1.8 5.7 565 471 A 64 TYR HD% A 64 TYR HBy 1.0 1.8 5.7 566 472 A 64 TYR HE% A 64 TYR HBy 1.0 1.8 5.7 567 473 A 64 TYR HA A 66 VAL HG21 1.0 1.8 6.7 568 473 A 66 VAL HGx% A 64 TYR HA 1.0 1.8 6.7 569 474 A 64 TYR HE% A 66 VAL HG21 1.0 1.8 9.1 570 474 A 66 VAL HGx% A 64 TYR HE% 1.0 1.8 9.1 571 474 A 66 VAL HGx% A 64 TYR HD% 1.0 1.8 9.1 572 474 A 64 TYR HD% A 66 VAL HG21 1.0 1.8 9.1 573 475 A 64 TYR HA A 64 TYR HD% 1.0 1.8 4.9 574 476 A 64 TYR HA A 64 TYR HE% 1.0 1.8 5.7 575 477 A 64 TYR HBy A 64 TYR HBx 1.0 1.8 2.2 576 478 A 65 PRO HGy A 64 TYR HD% 1.0 1.8 6.9 577 479 A 64 TYR HBx A 66 VAL HG21 1.0 1.8 7.9 578 479 A 64 TYR HBy A 66 VAL HG21 1.0 1.8 7.9 579 479 A 66 VAL HGx% A 64 TYR HBx 1.0 1.8 7.9 580 479 A 66 VAL HGx% A 64 TYR HBy 1.0 1.8 7.9 581 480 A 64 TYR HD% A 65 PRO HGx 1.0 1.8 6.9 582 481 A 64 TYR HD% A 65 PRO HBy 1.0 1.8 7.7 583 481 A 64 TYR HE% A 65 PRO HBy 1.0 1.8 7.7 584 481 A 64 TYR HE% A 65 PRO HBx 1.0 1.8 7.7 585 481 A 64 TYR HD% A 65 PRO HBx 1.0 1.8 7.7 586 482 A 64 TYR HA A 64 TYR HBx 1.0 1.8 3.6 587 483 A 65 PRO HDx A 64 TYR HD% 1.0 1.8 6.9 588 484 A 64 TYR HD% A 65 PRO HDy 1.0 1.8 6.9 589 485 A 64 TYR H A 64 TYR HD% 1.0 1.8 5.7 590 486 A 65 PRO HBy A 65 PRO HDy 1.0 1.8 4.4 591 487 A 65 PRO HA A 65 PRO HBy 1.0 1.8 3.6 592 488 A 65 PRO HBx A 65 PRO HA 1.0 1.8 3.6 593 489 A 65 PRO HGy A 65 PRO HBx 1.0 1.8 2.8 594 490 A 65 PRO HGy A 68 LEU HDy% 1.0 1.8 5.8 595 491 A 65 PRO HDx A 65 PRO HGy 1.0 1.8 3.6 596 492 A 65 PRO HBx A 65 PRO HDy 1.0 1.8 4.4 597 493 A 65 PRO HGy A 65 PRO HDy 1.0 1.8 3.6 598 494 A 65 PRO HGy A 65 PRO HA 1.0 1.8 4.4 599 495 A 65 PRO HDx A 68 LEU HDy% 1.0 1.8 5.4 600 496 A 65 PRO HA A 65 PRO HGx 1.0 1.8 4.4 601 497 A 65 PRO HDy A 65 PRO HGx 1.0 1.8 3.6 602 498 A 65 PRO HDx A 65 PRO HGx 1.0 1.8 3.6 603 499 A 68 LEU HDy% A 65 PRO HGx 1.0 1.8 5.4 604 500 A 74 LEU HDx% A 66 VAL HA 1.0 1.8 5.4 605 501 A 74 LEU HA A 66 VAL HGx% 1.0 1.8 5.4 606 502 A 73 VAL HA A 66 VAL HG21 1.0 1.8 6.7 607 502 A 66 VAL HGx% A 73 VAL HA 1.0 1.8 6.7 608 503 A 66 VAL HB A 66 VAL HG21 1.0 1.8 4.5 609 503 A 66 VAL HGx% A 66 VAL HB 1.0 1.8 4.5 610 504 A 74 LEU HDy% A 66 VAL HA 1.0 1.8 5.4 611 505 A 75 SER HA A 66 VAL HG21 1.0 1.8 7.1 612 505 A 66 VAL HGx% A 75 SER HA 1.0 1.8 7.1 613 506 A 67 ILE HD1% A 71 ARG HA 1.0 1.8 5.8 614 507 A 67 ILE HD1% A 67 ILE HA 1.0 1.8 4.6 615 508 A 71 ARG HA A 67 ILE HG2% 1.0 1.8 3.8 616 509 A 67 ILE HA A 67 ILE HG2% 1.0 1.8 3.8 617 510 A 67 ILE HA A 67 ILE HG1y 1.0 1.8 3.6 618 511 A 67 ILE HA A 67 ILE HB 1.0 1.8 3.6 619 512 A 71 ARG HA A 67 ILE HA 1.0 1.8 4.8 620 513 A 68 LEU HBy A 67 ILE HA 1.0 1.8 4.8 621 514 A 71 ARG HA A 67 ILE HG1y 1.0 1.8 4.4 622 515 A 67 ILE HG2% A 71 ARG HBx 1.0 1.8 5.8 623 516 A 67 ILE HG2% A 71 ARG HBy 1.0 1.8 5.4 624 517 A 74 LEU HDy% A 68 LEU HDy% 1.0 1.8 5.6 625 518 A 68 LEU HDy% A 69 PRO HDx 1.0 1.8 4.6 626 519 A 68 LEU HA A 68 LEU HDy% 1.0 1.8 3.8 627 520 A 68 LEU HA A 68 LEU HDx% 1.0 1.8 4.6 628 521 A 68 LEU HDx% A 69 PRO HDx 1.0 1.8 4.6 629 522 A 68 LEU HG A 69 PRO HDx 1.0 1.8 4.8 630 523 A 68 LEU HA A 69 PRO HDx 1.0 1.8 4.5 631 523 A 69 PRO HDy A 68 LEU HA 1.0 1.8 4.5 632 524 A 68 LEU HA A 68 LEU HBx 1.0 1.8 3.6 633 525 A 69 PRO HGy A 69 PRO HDx 1.0 1.8 3.6 634 526 A 69 PRO HA A 69 PRO HGx 1.0 1.8 4.4 635 527 A 69 PRO HBy A 69 PRO HBx 1.0 1.8 2.2 636 528 A 69 PRO HBy A 69 PRO HGy 1.0 1.8 3.6 637 529 A 69 PRO HBx A 69 PRO HGx 1.0 1.8 3.6 638 530 A 69 PRO HBx A 69 PRO HDx 1.0 1.8 4.4 639 531 A 69 PRO HBx A 69 PRO HA 1.0 1.8 2.8 640 532 A 69 PRO HA A 69 PRO HDx 1.0 1.8 4.5 641 532 A 69 PRO HDy A 69 PRO HA 1.0 1.8 4.5 642 533 A 69 PRO HBy A 69 PRO HA 1.0 1.8 2.8 643 534 A 69 PRO HA A 69 PRO HGy 1.0 1.8 4.4 644 535 A 69 PRO HGy A 69 PRO HGx 1.0 1.8 4.8 645 536 A 69 PRO HBy A 69 PRO HGx 1.0 1.8 3.6 646 537 A 69 PRO HGx A 69 PRO HDx 1.0 1.8 3.6 647 538 A 70 ASP HA A 70 ASP HBy 1.0 1.8 2.8 648 539 A 71 ARG HBx A 71 ARG HGy 1.0 1.8 2.8 649 540 A 71 ARG HA A 71 ARG HBy 1.0 1.8 2.8 650 541 A 71 ARG HA A 71 ARG HGy 1.0 1.8 2.8 651 542 A 71 ARG HA A 71 ARG HGx 1.0 1.8 4.4 652 543 A 71 ARG HBy A 71 ARG HGy 1.0 1.8 3.6 653 544 A 72 SER HA A 72 SER HBy 1.0 1.8 5.3 654 544 A 72 SER HA A 72 SER HBx 1.0 1.8 5.3 655 545 A 74 LEU HA A 72 SER HBy 1.0 1.8 5.7 656 545 A 74 LEU HA A 72 SER HBx 1.0 1.8 5.7 657 546 A 72 SER HBx A 72 SER HBy 1.0 1.8 2.2 658 547 A 73 VAL HGy% A 73 VAL HA 1.0 1.8 3.8 659 548 A 73 VAL HGx% A 73 VAL HA 1.0 1.8 3.8 660 549 A 73 VAL HB A 73 VAL HA 1.0 1.8 3.6 661 550 A 74 LEU HDx% A 74 LEU HA 1.0 1.8 4.6 662 551 A 74 LEU HA A 74 LEU HDy% 1.0 1.8 4.6 663 552 A 74 LEU HBx A 74 LEU HA 1.0 1.8 3.6 664 553 A 74 LEU HA A 74 LEU HBy 1.0 1.8 3.6 665 554 A 76 GLY HAy A 76 GLY HAx 1.0 1.8 3.6 666 555 A 77 ASP HA A 77 ASP HBx 1.0 1.8 3.7 667 555 A 77 ASP HA A 77 ASP HBy 1.0 1.8 3.7 668 556 A 82 TYR HD% A 77 ASP HBx 1.0 1.8 7.7 669 556 A 82 TYR HE% A 77 ASP HBx 1.0 1.8 7.7 670 556 A 77 ASP HBy A 82 TYR HE% 1.0 1.8 7.7 671 556 A 77 ASP HBy A 82 TYR HD% 1.0 1.8 7.7 672 557 A 78 PHE HBx A 81 ALA HB% 1.0 1.8 5.4 673 558 A 81 ALA HB% A 78 PHE HBy 1.0 1.8 5.4 674 559 A 78 PHE HA A 78 PHE HBx 1.0 1.8 2.8 675 560 A 78 PHE HE% A 78 PHE HBy 1.0 1.8 6.5 676 561 A 78 PHE HBx A 78 PHE HBy 1.0 1.8 2.8 677 562 A 78 PHE HA A 78 PHE HBy 1.0 1.8 2.8 678 563 A 78 PHE HD% A 78 PHE HBy 1.0 1.8 4.9 679 564 A 78 PHE HD% A 80 SER HBy 1.0 1.8 6.9 680 565 A 78 PHE HD% A 80 SER HBx 1.0 1.8 6.9 681 566 A 78 PHE HA A 78 PHE HD% 1.0 1.8 4.9 682 567 A 78 PHE HBx A 78 PHE HD% 1.0 1.8 4.5 683 568 A 78 PHE HBx A 78 PHE HE% 1.0 1.8 4.9 684 569 A 79 THR HG2% A 82 TYR HD% 1.0 1.8 7.5 685 570 A 79 THR HG2% A 82 TYR HBx 1.0 1.8 5.8 686 571 A 79 THR HG2% A 82 TYR HBy 1.0 1.8 5.8 687 572 A 79 THR HA A 82 TYR HBx 1.0 1.8 4.4 688 573 A 79 THR HB A 79 THR HA 1.0 1.8 2.8 689 574 A 82 TYR HD% A 81 ALA HB% 1.0 1.8 5.9 690 575 A 82 TYR HE% A 81 ALA HB% 1.0 1.8 6.8 691 576 A 82 TYR HBx A 82 TYR HA 1.0 1.8 2.8 692 577 A 82 TYR HBy A 82 TYR HE% 1.0 1.8 6.5 693 578 A 82 TYR HD% A 82 TYR HA 1.0 1.8 4.9 694 579 A 82 TYR HD% A 83 ALA HA 1.0 1.8 6.5 695 580 A 82 TYR HE% A 82 TYR HA 1.0 1.8 5.7 696 581 A 82 TYR HBy A 82 TYR HD% 1.0 1.8 4.5 697 582 A 82 TYR HBx A 82 TYR HE% 1.0 1.8 6.5 698 583 A 82 TYR HBy A 82 TYR HA 1.0 1.8 2.8 699 584 A 82 TYR HBx A 82 TYR HD% 1.0 1.8 4.5 700 585 A 87 GLU HA A 87 GLU HBx 1.0 1.8 2.8 701 586 A 87 GLU HA A 87 GLU HGx 1.0 1.8 3.6 702 587 A 87 GLU HA A 87 GLU HBy 1.0 1.8 2.8 703 588 A 87 GLU HBx A 87 GLU HBy 1.0 1.8 4.8 704 589 A 12 ARG H A 11 GLY HAy 1.0 1.8 5.3 705 589 A 11 GLY HAx A 12 ARG H 1.0 1.8 5.3 706 590 A 12 ARG HA A 13 GLU H 1.0 1.8 3.6 707 591 A 13 GLU H A 12 ARG HBy 1.0 1.8 4.8 708 592 A 13 GLU H A 12 ARG HGx 1.0 1.8 4.8 709 593 A 13 GLU H A 12 ARG HBx 1.0 1.8 4.8 710 594 A 14 ASN H A 13 GLU HGx 1.0 1.8 5.3 711 594 A 13 GLU HGy A 14 ASN H 1.0 1.8 5.3 712 595 A 13 GLU H A 14 ASN H 1.0 1.8 4.8 713 596 A 14 ASN H A 13 GLU HBx 1.0 1.8 5.3 714 596 A 14 ASN H A 13 GLU HBy 1.0 1.8 5.3 715 597 A 14 ASN H A 13 GLU HA 1.0 1.8 3.6 716 598 A 14 ASN H A 15 LEU H 1.0 1.8 4.8 717 599 A 15 LEU H A 14 ASN HBx 1.0 1.8 3.6 718 600 A 15 LEU H A 14 ASN HBy 1.0 1.8 3.6 719 601 A 15 LEU HBx A 16 TYR H 1.0 1.8 3.6 720 602 A 16 TYR H A 15 LEU HDx% 1.0 1.8 5.9 721 602 A 16 TYR H A 15 LEU HDy% 1.0 1.8 5.9 722 603 A 16 TYR H A 15 LEU HA 1.0 1.8 2.8 723 604 A 15 LEU HA A 17 PHE H 1.0 1.8 4.8 724 605 A 16 TYR H A 15 LEU HBy 1.0 1.8 3.6 725 606 A 17 PHE H A 16 TYR HBy 1.0 1.8 4.5 726 606 A 17 PHE H A 16 TYR HBx 1.0 1.8 4.5 727 607 A 16 TYR H A 16 TYR HBx 1.0 1.8 2.8 728 608 A 16 TYR H A 16 TYR HBy 1.0 1.8 2.8 729 609 A 17 PHE H A 16 TYR HE% 1.0 1.8 6.8 730 609 A 17 PHE H A 16 TYR HD% 1.0 1.8 6.8 731 610 A 17 PHE H A 16 TYR HA 1.0 1.8 2.4 732 611 A 16 TYR H A 16 TYR HE% 1.0 1.8 6.0 733 611 A 16 TYR H A 16 TYR HD% 1.0 1.8 6.0 734 612 A 17 PHE HBx A 18 GLN H 1.0 1.8 4.4 735 613 A 18 GLN H A 17 PHE HBy 1.0 1.8 4.4 736 614 A 17 PHE H A 18 GLN H 1.0 1.8 4.8 737 615 A 18 GLN H A 17 PHE HA 1.0 1.8 4.4 738 616 A 18 GLN HA A 19 GLY H 1.0 1.8 4.4 739 617 A 18 GLN H A 18 GLN HA 1.0 1.8 3.6 740 618 A 18 GLN H A 18 GLN HBx 1.0 1.8 3.6 741 619 A 18 GLN H A 18 GLN HGx 1.0 1.8 4.5 742 619 A 18 GLN H A 18 GLN HGy 1.0 1.8 4.5 743 620 A 18 GLN H A 18 GLN HBy 1.0 1.8 3.6 744 621 A 22 ALA H A 21 MET HGx 1.0 1.8 5.3 745 621 A 21 MET HGy A 22 ALA H 1.0 1.8 5.3 746 622 A 22 ALA H A 21 MET HA 1.0 1.8 2.4 747 623 A 23 TRP H A 21 MET HGx 1.0 1.8 5.3 748 623 A 21 MET HGy A 23 TRP H 1.0 1.8 5.3 749 624 A 23 TRP H A 21 MET HBx 1.0 1.8 5.3 750 624 A 23 TRP H A 21 MET HBy 1.0 1.8 5.3 751 625 A 21 MET HA A 23 TRP HE1 1.0 1.8 4.8 752 626 A 22 ALA H A 21 MET HBx 1.0 1.8 4.5 753 626 A 22 ALA H A 21 MET HBy 1.0 1.8 4.5 754 627 A 23 TRP H A 22 ALA HB% 1.0 1.8 4.6 755 628 A 22 ALA H A 23 TRP H 1.0 1.8 4.8 756 629 A 23 TRP H A 22 ALA HA 1.0 1.8 2.2 757 630 A 22 ALA H A 22 ALA HA 1.0 1.8 4.4 758 631 A 79 THR HG2% A 23 TRP H 1.0 1.8 5.4 759 632 A 23 TRP HBx A 24 LYS H 1.0 1.8 3.6 760 633 A 23 TRP H A 24 LYS H 1.0 1.8 4.4 761 634 A 24 LYS H A 23 TRP HA 1.0 1.8 2.8 762 635 A 23 TRP HE3 A 24 LYS H 1.0 1.8 4.4 763 636 A 23 TRP HZ2 A 23 TRP HE1 1.0 1.8 4.4 764 637 A 23 TRP HBy A 24 LYS H 1.0 1.8 3.6 765 638 A 24 LYS H A 24 LYS HA 1.0 1.8 3.6 766 639 A 24 LYS HGy A 43 ASN HD2x 1.0 1.8 6.5 767 639 A 24 LYS HGx A 43 ASN HD2x 1.0 1.8 6.5 768 639 A 43 ASN HD2y A 24 LYS HGy 1.0 1.8 6.5 769 639 A 24 LYS HGx A 43 ASN HD2y 1.0 1.8 6.5 770 640 A 24 LYS HBy A 25 ASP H 1.0 1.8 2.8 771 641 A 24 LYS HBy A 26 CYS H 1.0 1.8 4.4 772 642 A 24 LYS H A 24 LYS HGy 1.0 1.8 4.5 773 642 A 24 LYS H A 24 LYS HGx 1.0 1.8 4.5 774 643 A 24 LYS HA A 26 CYS H 1.0 1.8 4.4 775 644 A 24 LYS HBx A 26 CYS H 1.0 1.8 3.6 776 645 A 41 THR HB A 24 LYS H 1.0 1.8 4.4 777 646 A 24 LYS H A 24 LYS HDx 1.0 1.8 4.5 778 646 A 24 LYS HDy A 24 LYS H 1.0 1.8 4.5 779 647 A 79 THR HG2% A 24 LYS H 1.0 1.8 5.8 780 648 A 24 LYS HBx A 24 LYS H 1.0 1.8 3.6 781 649 A 25 ASP H A 24 LYS HGy 1.0 1.8 4.5 782 649 A 24 LYS HGx A 25 ASP H 1.0 1.8 4.5 783 650 A 24 LYS HA A 25 ASP H 1.0 1.8 2.8 784 651 A 24 LYS HBx A 43 ASN H 1.0 1.8 4.4 785 652 A 24 LYS HBx A 42 ALA H 1.0 1.8 4.4 786 653 A 41 THR HG2% A 24 LYS H 1.0 1.8 4.6 787 654 A 24 LYS HBx A 25 ASP H 1.0 1.8 2.8 788 655 A 24 LYS HBy A 43 ASN H 1.0 1.8 4.8 789 656 A 43 ASN H A 24 LYS HGy 1.0 1.8 4.5 790 656 A 24 LYS HGx A 43 ASN H 1.0 1.8 4.5 791 657 A 24 LYS HDy A 43 ASN HD2x 1.0 1.8 6.5 792 657 A 24 LYS HDx A 43 ASN HD2x 1.0 1.8 6.5 793 657 A 43 ASN HD2y A 24 LYS HDx 1.0 1.8 6.5 794 657 A 24 LYS HDy A 43 ASN HD2y 1.0 1.8 6.5 795 658 A 24 LYS HBy A 42 ALA H 1.0 1.8 4.4 796 659 A 25 ASP H A 24 LYS HDx 1.0 1.8 4.5 797 659 A 24 LYS HDy A 25 ASP H 1.0 1.8 4.5 798 660 A 42 ALA H A 24 LYS HGy 1.0 1.8 5.7 799 660 A 24 LYS HGx A 42 ALA H 1.0 1.8 5.7 800 661 A 24 LYS HBy A 24 LYS H 1.0 1.8 3.6 801 662 A 25 ASP HA A 44 ARG H 1.0 1.8 4.8 802 663 A 25 ASP HBx A 26 CYS H 1.0 1.8 3.6 803 664 A 43 ASN HA A 25 ASP H 1.0 1.8 2.8 804 665 A 25 ASP HBy A 25 ASP H 1.0 1.8 3.6 805 666 A 25 ASP HA A 25 ASP H 1.0 1.8 2.8 806 667 A 25 ASP HBy A 26 CYS H 1.0 1.8 4.4 807 668 A 25 ASP HA A 26 CYS H 1.0 1.8 3.6 808 669 A 25 ASP H A 43 ASN H 1.0 1.8 4.4 809 670 A 25 ASP H A 44 ARG H 1.0 1.8 4.4 810 671 A 25 ASP H A 26 CYS H 1.0 1.8 3.6 811 672 A 25 ASP HBx A 25 ASP H 1.0 1.8 3.6 812 673 A 25 ASP HBx A 44 ARG H 1.0 1.8 3.6 813 674 A 26 CYS H A 26 CYS HBx 1.0 1.8 4.4 814 675 A 77 ASP H A 26 CYS HBy 1.0 1.8 5.7 815 675 A 26 CYS HBx A 77 ASP H 1.0 1.8 5.7 816 676 A 26 CYS HBx A 27 ILE H 1.0 1.8 4.4 817 677 A 27 ILE H A 26 CYS HBy 1.0 1.8 4.4 818 678 A 42 ALA H A 26 CYS HBy 1.0 1.8 3.6 819 679 A 26 CYS HA A 27 ILE H 1.0 1.8 2.2 820 680 A 42 ALA H A 26 CYS HBx 1.0 1.8 4.8 821 681 A 26 CYS HA A 26 CYS H 1.0 1.8 3.6 822 682 A 42 ALA HB% A 26 CYS H 1.0 1.8 5.8 823 683 A 43 ASN HA A 26 CYS H 1.0 1.8 3.6 824 684 A 26 CYS H A 26 CYS HBy 1.0 1.8 4.4 825 685 A 26 CYS HA A 79 THR H 1.0 1.8 3.6 826 686 A 26 CYS H A 42 ALA H 1.0 1.8 3.6 827 687 A 27 ILE HB A 77 ASP H 1.0 1.8 4.8 828 688 A 78 PHE HA A 27 ILE H 1.0 1.8 3.6 829 689 A 27 ILE HB A 79 THR H 1.0 1.8 4.8 830 690 A 27 ILE HB A 27 ILE H 1.0 1.8 4.4 831 691 A 27 ILE HD1% A 27 ILE H 1.0 1.8 5.8 832 692 A 27 ILE HA A 27 ILE H 1.0 1.8 3.6 833 693 A 61 CYS HA A 27 ILE H 1.0 1.8 4.8 834 694 A 27 ILE HD1% A 28 ILE H 1.0 1.8 5.8 835 695 A 27 ILE HG2% A 27 ILE H 1.0 1.8 4.6 836 696 A 27 ILE HA A 28 ILE H 1.0 1.8 2.2 837 697 A 27 ILE HB A 28 ILE H 1.0 1.8 4.4 838 698 A 77 ASP H A 27 ILE H 1.0 1.8 3.6 839 699 A 27 ILE HG2% A 79 THR H 1.0 1.8 5.8 840 700 A 79 THR HG2% A 27 ILE H 1.0 1.8 5.4 841 701 A 27 ILE HG1y A 28 ILE H 1.0 1.8 4.4 842 702 A 28 ILE HD1% A 76 GLY H 1.0 1.8 5.8 843 703 A 28 ILE HA A 28 ILE H 1.0 1.8 3.6 844 704 A 28 ILE HB A 29 GLN H 1.0 1.8 4.8 845 705 A 28 ILE HD1% A 77 ASP H 1.0 1.8 4.6 846 706 A 28 ILE H A 28 ILE HG1x 1.0 1.8 4.4 847 707 A 28 ILE HG2% A 28 ILE H 1.0 1.8 4.6 848 708 A 28 ILE HA A 77 ASP H 1.0 1.8 3.6 849 709 A 28 ILE HA A 75 SER H 1.0 1.8 4.4 850 710 A 40 TYR HD% A 28 ILE H 1.0 1.8 6.9 851 711 A 28 ILE HD1% A 28 ILE H 1.0 1.8 4.6 852 712 A 28 ILE HB A 40 TYR H 1.0 1.8 4.4 853 713 A 41 THR HA A 28 ILE H 1.0 1.8 3.6 854 714 A 28 ILE HA A 29 GLN H 1.0 1.8 2.2 855 715 A 29 GLN H A 28 ILE HG1y 1.0 1.8 5.7 856 715 A 29 GLN H A 28 ILE HG1x 1.0 1.8 5.7 857 716 A 28 ILE HG2% A 29 GLN H 1.0 1.8 3.8 858 717 A 28 ILE H A 28 ILE HG1y 1.0 1.8 4.4 859 718 A 28 ILE HB A 28 ILE H 1.0 1.8 3.6 860 719 A 28 ILE HG2% A 75 SER H 1.0 1.8 5.4 861 720 A 28 ILE HD1% A 29 GLN H 1.0 1.8 5.4 862 721 A 29 GLN H A 29 GLN HBy 1.0 1.8 3.6 863 722 A 29 GLN H A 75 SER HBy 1.0 1.8 5.3 864 722 A 75 SER HBx A 29 GLN H 1.0 1.8 5.3 865 723 A 29 GLN HBx A 29 GLN H 1.0 1.8 3.6 866 724 A 30 ARG H A 29 GLN H 1.0 1.8 4.8 867 725 A 29 GLN HA A 30 ARG H 1.0 1.8 2.8 868 726 A 74 LEU HA A 29 GLN H 1.0 1.8 4.8 869 727 A 29 GLN HA A 29 GLN H 1.0 1.8 3.6 870 728 A 75 SER H A 29 GLN HBy 1.0 1.8 4.4 871 729 A 75 SER H A 29 GLN H 1.0 1.8 3.6 872 730 A 76 GLY HAy A 29 GLN H 1.0 1.8 4.4 873 731 A 29 GLN H A 29 GLN HGy 1.0 1.8 4.5 874 731 A 29 GLN H A 29 GLN HGx 1.0 1.8 4.5 875 732 A 30 ARG HGy A 31 TYR H 1.0 1.8 4.8 876 733 A 40 TYR HD% A 30 ARG H 1.0 1.8 6.9 877 734 A 30 ARG HA A 73 VAL H 1.0 1.8 4.8 878 735 A 30 ARG H A 30 ARG HBx 1.0 1.8 3.6 879 736 A 40 TYR HE% A 30 ARG H 1.0 1.8 5.7 880 737 A 30 ARG H A 36 VAL HGx% 1.0 1.8 6.6 881 737 A 30 ARG H A 36 VAL HGy% 1.0 1.8 6.6 882 738 A 30 ARG HGy A 30 ARG H 1.0 1.8 4.4 883 739 A 30 ARG H A 38 ASN H 1.0 1.8 4.4 884 740 A 30 ARG HA A 38 ASN H 1.0 1.8 4.8 885 741 A 30 ARG HA A 30 ARG H 1.0 1.8 3.6 886 742 A 30 ARG H A 30 ARG HBy 1.0 1.8 3.6 887 743 A 30 ARG HA A 31 TYR H 1.0 1.8 2.2 888 744 A 38 ASN HBy A 30 ARG H 1.0 1.8 4.8 889 745 A 31 TYR H A 30 ARG HBx 1.0 1.8 5.7 890 745 A 31 TYR H A 30 ARG HBy 1.0 1.8 5.7 891 746 A 38 ASN H A 30 ARG HBx 1.0 1.8 5.3 892 746 A 38 ASN H A 30 ARG HBy 1.0 1.8 5.3 893 747 A 30 ARG HGx A 30 ARG H 1.0 1.8 4.4 894 748 A 30 ARG HA A 75 SER H 1.0 1.8 4.4 895 749 A 30 ARG HGx A 31 TYR H 1.0 1.8 4.8 896 750 A 73 VAL HB A 31 TYR H 1.0 1.8 4.4 897 751 A 31 TYR HE% A 35 ASP H 1.0 1.8 6.9 898 752 A 31 TYR HE% A 36 VAL H 1.0 1.8 5.7 899 753 A 31 TYR HA A 31 TYR H 1.0 1.8 3.6 900 754 A 31 TYR H A 31 TYR HBx 1.0 1.8 3.6 901 755 A 31 TYR HA A 32 LYS H 1.0 1.8 2.2 902 756 A 74 LEU HA A 31 TYR H 1.0 1.8 4.4 903 757 A 31 TYR HD% A 32 LYS H 1.0 1.8 5.7 904 758 A 72 SER HA A 31 TYR H 1.0 1.8 4.8 905 759 A 31 TYR HD% A 36 VAL H 1.0 1.8 5.7 906 760 A 31 TYR HD% A 34 GLY H 1.0 1.8 6.9 907 761 A 74 LEU HDx% A 31 TYR H 1.0 1.8 5.4 908 762 A 31 TYR HD% A 35 ASP H 1.0 1.8 5.7 909 763 A 31 TYR H A 73 VAL H 1.0 1.8 3.6 910 764 A 73 VAL H A 31 TYR HBy 1.0 1.8 4.4 911 765 A 31 TYR HE% A 32 LYS H 1.0 1.8 6.9 912 766 A 32 LYS H A 31 TYR HBy 1.0 1.8 5.3 913 766 A 32 LYS H A 31 TYR HBx 1.0 1.8 5.3 914 767 A 31 TYR HD% A 75 SER H 1.0 1.8 6.9 915 768 A 31 TYR HD% A 73 VAL H 1.0 1.8 6.5 916 769 A 73 VAL H A 31 TYR HBx 1.0 1.8 4.4 917 770 A 31 TYR HE% A 75 SER H 1.0 1.8 5.7 918 771 A 31 TYR H A 31 TYR HBy 1.0 1.8 3.6 919 772 A 31 TYR HD% A 31 TYR H 1.0 1.8 5.7 920 773 A 32 LYS HA A 33 ASP H 1.0 1.8 3.6 921 774 A 73 VAL H A 32 LYS HBy 1.0 1.8 5.7 922 774 A 73 VAL H A 32 LYS HBx 1.0 1.8 5.7 923 775 A 32 LYS H A 36 VAL HGx% 1.0 1.8 6.6 924 775 A 36 VAL HGy% A 32 LYS H 1.0 1.8 6.6 925 776 A 32 LYS H A 37 ASN H 1.0 1.8 4.4 926 777 A 32 LYS H A 32 LYS HBy 1.0 1.8 3.6 927 778 A 33 ASP H A 32 LYS HBx 1.0 1.8 4.8 928 779 A 35 ASP H A 32 LYS H 1.0 1.8 3.6 929 780 A 32 LYS HA A 32 LYS H 1.0 1.8 2.8 930 781 A 33 ASP H A 32 LYS HBy 1.0 1.8 4.8 931 782 A 32 LYS HGx A 33 ASP H 1.0 1.8 4.8 932 783 A 32 LYS HGy A 33 ASP H 1.0 1.8 4.8 933 784 A 32 LYS H A 32 LYS HBx 1.0 1.8 3.6 934 785 A 36 VAL HA A 32 LYS H 1.0 1.8 4.4 935 786 A 32 LYS H A 37 ASN HD2x 1.0 1.8 5.7 936 786 A 32 LYS H A 37 ASN HD2y 1.0 1.8 5.7 937 787 A 33 ASP HA A 33 ASP H 1.0 1.8 3.6 938 788 A 34 GLY H A 33 ASP HBx 1.0 1.8 4.4 939 789 A 33 ASP HA A 35 ASP H 1.0 1.8 4.4 940 790 A 35 ASP H A 33 ASP HBx 1.0 1.8 5.7 941 790 A 35 ASP H A 33 ASP HBy 1.0 1.8 5.7 942 791 A 33 ASP H A 33 ASP HBx 1.0 1.8 4.4 943 792 A 34 GLY H A 33 ASP HBy 1.0 1.8 4.4 944 793 A 33 ASP HA A 34 GLY H 1.0 1.8 3.6 945 794 A 33 ASP H A 33 ASP HBy 1.0 1.8 4.4 946 795 A 34 GLY HAy A 35 ASP H 1.0 1.8 3.6 947 796 A 34 GLY HAx A 34 GLY H 1.0 1.8 2.8 948 797 A 34 GLY HAy A 34 GLY H 1.0 1.8 3.6 949 798 A 35 ASP H A 34 GLY H 1.0 1.8 3.6 950 799 A 34 GLY HAx A 35 ASP H 1.0 1.8 3.6 951 800 A 35 ASP HBy A 35 ASP H 1.0 1.8 3.6 952 801 A 35 ASP HBx A 35 ASP H 1.0 1.8 3.6 953 802 A 35 ASP HA A 35 ASP H 1.0 1.8 3.6 954 803 A 35 ASP HA A 36 VAL H 1.0 1.8 2.2 955 804 A 35 ASP HBx A 36 VAL H 1.0 1.8 3.6 956 805 A 35 ASP H A 36 VAL HGx% 1.0 1.8 7.0 957 805 A 36 VAL HGy% A 35 ASP H 1.0 1.8 7.0 958 806 A 35 ASP H A 36 VAL H 1.0 1.8 4.8 959 807 A 35 ASP HBy A 36 VAL H 1.0 1.8 3.6 960 808 A 36 VAL HA A 37 ASN H 1.0 1.8 2.2 961 809 A 36 VAL HB A 37 ASN H 1.0 1.8 4.4 962 810 A 38 ASN H A 36 VAL HGx% 1.0 1.8 5.8 963 810 A 36 VAL HGy% A 38 ASN H 1.0 1.8 5.8 964 811 A 36 VAL H A 36 VAL HGx% 1.0 1.8 5.8 965 811 A 36 VAL HGy% A 36 VAL H 1.0 1.8 5.8 966 812 A 36 VAL HB A 36 VAL H 1.0 1.8 3.6 967 813 A 36 VAL HA A 36 VAL H 1.0 1.8 3.6 968 814 A 37 ASN H A 36 VAL HGx% 1.0 1.8 5.8 969 814 A 36 VAL HGy% A 37 ASN H 1.0 1.8 5.8 970 815 A 37 ASN HA A 38 ASN H 1.0 1.8 3.6 971 816 A 37 ASN HBx A 38 ASN H 1.0 1.8 3.6 972 817 A 37 ASN HBy A 37 ASN H 1.0 1.8 3.6 973 818 A 37 ASN HBx A 37 ASN H 1.0 1.8 3.6 974 819 A 37 ASN HA A 37 ASN H 1.0 1.8 3.6 975 820 A 38 ASN H A 37 ASN H 1.0 1.8 3.6 976 821 A 38 ASN H A 37 ASN HD2x 1.0 1.8 5.7 977 821 A 38 ASN H A 37 ASN HD2y 1.0 1.8 5.7 978 822 A 37 ASN H A 37 ASN HD2x 1.0 1.8 5.3 979 822 A 37 ASN H A 37 ASN HD2y 1.0 1.8 5.3 980 823 A 38 ASN HBx A 38 ASN H 1.0 1.8 3.6 981 824 A 38 ASN HBy A 39 ILE H 1.0 1.8 3.6 982 825 A 38 ASN HBx A 39 ILE H 1.0 1.8 3.6 983 826 A 39 ILE H A 38 ASN HA 1.0 1.8 2.4 984 827 A 38 ASN HBy A 38 ASN H 1.0 1.8 3.6 985 828 A 38 ASN H A 38 ASN HA 1.0 1.8 2.8 986 829 A 39 ILE H A 38 ASN HD2x 1.0 1.8 5.7 987 829 A 39 ILE H A 38 ASN HD2y 1.0 1.8 5.7 988 830 A 39 ILE HG2% A 40 TYR H 1.0 1.8 3.8 989 831 A 39 ILE HB A 40 TYR H 1.0 1.8 4.4 990 832 A 39 ILE HA A 40 TYR H 1.0 1.8 2.4 991 833 A 39 ILE H A 39 ILE HG1y 1.0 1.8 4.8 992 834 A 39 ILE HB A 39 ILE H 1.0 1.8 3.6 993 835 A 39 ILE H A 39 ILE HG1x 1.0 1.8 4.8 994 836 A 39 ILE HD1% A 39 ILE H 1.0 1.8 5.4 995 837 A 40 TYR H A 39 ILE HG1y 1.0 1.8 4.8 996 838 A 40 TYR HBy A 40 TYR H 1.0 1.8 4.4 997 839 A 40 TYR HBx A 40 TYR H 1.0 1.8 4.4 998 840 A 40 TYR HD% A 40 TYR H 1.0 1.8 4.9 999 841 A 40 TYR HD% A 41 THR H 1.0 1.8 5.7 1000 842 A 40 TYR HBy A 41 THR H 1.0 1.8 4.4 1001 843 A 40 TYR HBx A 41 THR H 1.0 1.8 4.4 1002 844 A 40 TYR HA A 41 THR H 1.0 1.8 2.8 1003 845 A 40 TYR HE% A 40 TYR H 1.0 1.8 6.9 1004 846 A 41 THR HB A 42 ALA H 1.0 1.8 3.6 1005 847 A 41 THR HA A 42 ALA H 1.0 1.8 2.2 1006 848 A 41 THR HG2% A 41 THR H 1.0 1.8 3.8 1007 849 A 41 THR HB A 41 THR H 1.0 1.8 3.6 1008 850 A 41 THR HA A 41 THR H 1.0 1.8 3.6 1009 851 A 42 ALA HB% A 57 VAL H 1.0 1.8 5.8 1010 852 A 42 ALA HA A 43 ASN H 1.0 1.8 2.4 1011 853 A 42 ALA HB% A 42 ALA H 1.0 1.8 3.8 1012 854 A 42 ALA HA A 42 ALA H 1.0 1.8 3.6 1013 855 A 42 ALA HB% A 46 GLU H 1.0 1.8 5.8 1014 856 A 43 ASN H A 42 ALA H 1.0 1.8 4.8 1015 857 A 42 ALA H A 57 VAL HGy% 1.0 1.8 6.7 1016 857 A 57 VAL HGx% A 42 ALA H 1.0 1.8 6.7 1017 858 A 42 ALA HB% A 43 ASN H 1.0 1.8 3.8 1018 859 A 48 ILE HG2% A 43 ASN H 1.0 1.8 5.4 1019 860 A 46 GLU HBy A 43 ASN H 1.0 1.8 4.4 1020 861 A 46 GLU HBx A 43 ASN H 1.0 1.8 4.4 1021 862 A 43 ASN H A 43 ASN HBy 1.0 1.8 2.8 1022 863 A 43 ASN H A 43 ASN HBx 1.0 1.8 3.6 1023 864 A 43 ASN HA A 43 ASN H 1.0 1.8 3.6 1024 865 A 44 ARG H A 43 ASN HBx 1.0 1.8 4.4 1025 866 A 46 GLU HGx A 43 ASN H 1.0 1.8 4.8 1026 867 A 46 GLU H A 43 ASN HBx 1.0 1.8 5.7 1027 867 A 46 GLU H A 43 ASN HBy 1.0 1.8 5.7 1028 868 A 43 ASN HA A 44 ARG H 1.0 1.8 2.8 1029 869 A 46 GLU HGy A 43 ASN H 1.0 1.8 4.8 1030 870 A 43 ASN HD2y A 43 ASN HBy 1.0 1.8 4.5 1031 870 A 43 ASN HBy A 43 ASN HD2x 1.0 1.8 4.5 1032 871 A 43 ASN H A 44 ARG H 1.0 1.8 4.8 1033 872 A 44 ARG H A 43 ASN HBy 1.0 1.8 4.4 1034 873 A 43 ASN HD2y A 43 ASN HBx 1.0 1.8 4.5 1035 873 A 43 ASN HBx A 43 ASN HD2x 1.0 1.8 4.5 1036 874 A 43 ASN H A 43 ASN HD2x 1.0 1.8 4.5 1037 874 A 43 ASN HD2y A 43 ASN H 1.0 1.8 4.5 1038 875 A 45 ASN H A 44 ARG HBx 1.0 1.8 4.4 1039 876 A 44 ARG HA A 46 GLU H 1.0 1.8 4.4 1040 877 A 44 ARG H A 44 ARG HBx 1.0 1.8 2.8 1041 878 A 44 ARG H A 44 ARG HBy 1.0 1.8 3.6 1042 879 A 44 ARG H A 44 ARG HDy 1.0 1.8 4.4 1043 880 A 59 GLU HA A 44 ARG H 1.0 1.8 4.8 1044 881 A 45 ASN HD2y A 44 ARG HBy 1.0 1.8 5.7 1045 881 A 44 ARG HBy A 45 ASN HD2x 1.0 1.8 5.7 1046 882 A 44 ARG HA A 44 ARG H 1.0 1.8 3.6 1047 883 A 61 CYS H A 44 ARG HBy 1.0 1.8 5.3 1048 883 A 44 ARG HBx A 61 CYS H 1.0 1.8 5.3 1049 884 A 60 ALA H A 44 ARG HBy 1.0 1.8 5.3 1050 884 A 44 ARG HBx A 60 ALA H 1.0 1.8 5.3 1051 885 A 45 ASN HD2y A 44 ARG HBx 1.0 1.8 5.7 1052 885 A 44 ARG HBx A 45 ASN HD2x 1.0 1.8 5.7 1053 886 A 44 ARG HDx A 44 ARG H 1.0 1.8 4.4 1054 887 A 44 ARG H A 57 VAL HGy% 1.0 1.8 7.1 1055 887 A 57 VAL HGx% A 44 ARG H 1.0 1.8 7.1 1056 888 A 45 ASN H A 44 ARG HBy 1.0 1.8 4.4 1057 889 A 44 ARG HA A 45 ASN H 1.0 1.8 2.2 1058 890 A 45 ASN H A 57 VAL HGy% 1.0 1.8 5.9 1059 890 A 57 VAL HGx% A 45 ASN H 1.0 1.8 5.9 1060 891 A 45 ASN HBx A 45 ASN H 1.0 1.8 4.4 1061 892 A 45 ASN HA A 45 ASN H 1.0 1.8 2.8 1062 893 A 58 ASN HA A 45 ASN H 1.0 1.8 3.6 1063 894 A 45 ASN HBx A 45 ASN HD2y 1.0 1.8 3.7 1064 894 A 45 ASN HBx A 45 ASN HD2x 1.0 1.8 3.7 1065 895 A 45 ASN H A 45 ASN HBy 1.0 1.8 4.4 1066 896 A 57 VAL HB A 45 ASN H 1.0 1.8 4.4 1067 897 A 45 ASN HD2y A 45 ASN HBy 1.0 1.8 3.7 1068 897 A 45 ASN HBy A 45 ASN HD2x 1.0 1.8 3.7 1069 898 A 59 GLU HGy A 45 ASN HD2x 1.0 1.8 5.7 1070 898 A 45 ASN HD2y A 59 GLU HGy 1.0 1.8 5.7 1071 899 A 59 GLU HGx A 45 ASN HD2x 1.0 1.8 5.7 1072 899 A 59 GLU HGx A 45 ASN HD2y 1.0 1.8 5.7 1073 900 A 45 ASN HD2x A 59 GLU HBy 1.0 1.8 4.5 1074 900 A 45 ASN HD2y A 59 GLU HBy 1.0 1.8 4.5 1075 901 A 46 GLU H A 45 ASN HBy 1.0 1.8 4.4 1076 902 A 45 ASN HBx A 46 GLU H 1.0 1.8 4.4 1077 903 A 45 ASN H A 59 GLU H 1.0 1.8 4.8 1078 904 A 45 ASN H A 59 GLU HBy 1.0 1.8 5.7 1079 904 A 59 GLU HBx A 45 ASN H 1.0 1.8 5.7 1080 905 A 59 GLU HA A 45 ASN H 1.0 1.8 4.4 1081 906 A 56 PHE HE% A 45 ASN H 1.0 1.8 5.7 1082 907 A 59 GLU H A 45 ASN HD2x 1.0 1.8 5.3 1083 907 A 45 ASN HD2y A 59 GLU H 1.0 1.8 5.3 1084 908 A 45 ASN HA A 46 GLU H 1.0 1.8 2.4 1085 909 A 46 GLU H A 45 ASN H 1.0 1.8 3.6 1086 910 A 57 VAL HA A 46 GLU H 1.0 1.8 4.8 1087 911 A 56 PHE HE% A 46 GLU H 1.0 1.8 5.7 1088 912 A 46 GLU HBx A 46 GLU H 1.0 1.8 3.6 1089 913 A 46 GLU HGy A 46 GLU H 1.0 1.8 4.4 1090 914 A 56 PHE HA A 46 GLU H 1.0 1.8 4.4 1091 915 A 46 GLU HBy A 47 GLU H 1.0 1.8 4.4 1092 916 A 57 VAL H A 46 GLU H 1.0 1.8 3.6 1093 917 A 56 PHE HD% A 46 GLU H 1.0 1.8 5.7 1094 918 A 46 GLU HA A 47 GLU H 1.0 1.8 2.2 1095 919 A 46 GLU HGx A 46 GLU H 1.0 1.8 4.4 1096 920 A 46 GLU HBx A 47 GLU H 1.0 1.8 4.4 1097 921 A 46 GLU H A 57 VAL HGy% 1.0 1.8 5.4 1098 922 A 57 VAL HGx% A 46 GLU H 1.0 1.8 5.4 1099 923 A 46 GLU HBy A 46 GLU H 1.0 1.8 3.6 1100 924 A 57 VAL HB A 46 GLU H 1.0 1.8 3.6 1101 925 A 46 GLU HA A 46 GLU H 1.0 1.8 2.8 1102 926 A 46 GLU H A 47 GLU H 1.0 1.8 4.4 1103 927 A 47 GLU H A 47 GLU HBx 1.0 1.8 4.5 1104 927 A 47 GLU HBy A 47 GLU H 1.0 1.8 4.5 1105 928 A 47 GLU HA A 57 VAL H 1.0 1.8 3.6 1106 929 A 47 GLU H A 47 GLU HGx 1.0 1.8 4.5 1107 929 A 47 GLU HGy A 47 GLU H 1.0 1.8 4.5 1108 930 A 48 ILE H A 47 GLU HBx 1.0 1.8 5.3 1109 930 A 47 GLU HBy A 48 ILE H 1.0 1.8 5.3 1110 931 A 48 ILE H A 47 GLU HGx 1.0 1.8 5.3 1111 931 A 47 GLU HGy A 48 ILE H 1.0 1.8 5.3 1112 932 A 47 GLU HA A 48 ILE H 1.0 1.8 2.2 1113 933 A 55 VAL H A 47 GLU HBx 1.0 1.8 5.3 1114 933 A 47 GLU HBy A 55 VAL H 1.0 1.8 5.3 1115 934 A 47 GLU HA A 47 GLU H 1.0 1.8 2.8 1116 935 A 55 VAL H A 47 GLU HGx 1.0 1.8 5.3 1117 935 A 47 GLU HGy A 55 VAL H 1.0 1.8 5.3 1118 936 A 47 GLU HA A 55 VAL H 1.0 1.8 4.4 1119 937 A 47 GLU HA A 56 PHE H 1.0 1.8 4.8 1120 938 A 48 ILE HB A 48 ILE H 1.0 1.8 3.6 1121 939 A 48 ILE H A 57 VAL HGy% 1.0 1.8 5.8 1122 940 A 48 ILE H A 48 ILE HG1y 1.0 1.8 2.8 1123 941 A 49 THR H A 48 ILE HG1x 1.0 1.8 4.5 1124 941 A 48 ILE HG1y A 49 THR H 1.0 1.8 4.5 1125 942 A 48 ILE H A 48 ILE HG1x 1.0 1.8 3.6 1126 943 A 48 ILE HD1% A 48 ILE H 1.0 1.8 5.8 1127 944 A 48 ILE HA A 49 THR H 1.0 1.8 2.8 1128 945 A 48 ILE HA A 48 ILE H 1.0 1.8 2.8 1129 946 A 56 PHE HA A 48 ILE H 1.0 1.8 3.6 1130 947 A 55 VAL H A 48 ILE HG1x 1.0 1.8 3.6 1131 948 A 48 ILE HD1% A 49 THR H 1.0 1.8 4.6 1132 949 A 55 VAL HGx% A 48 ILE H 1.0 1.8 5.4 1133 950 A 48 ILE HB A 49 THR H 1.0 1.8 3.6 1134 951 A 55 VAL HB A 48 ILE H 1.0 1.8 3.6 1135 952 A 48 ILE H A 55 VAL H 1.0 1.8 3.6 1136 953 A 48 ILE HG1y A 55 VAL H 1.0 1.8 3.6 1137 954 A 48 ILE H A 57 VAL H 1.0 1.8 4.4 1138 955 A 49 THR HG2% A 51 GLU H 1.0 1.8 5.4 1139 956 A 49 THR HG2% A 49 THR H 1.0 1.8 4.6 1140 957 A 49 THR HB A 49 THR H 1.0 1.8 3.6 1141 958 A 49 THR HA A 49 THR H 1.0 1.8 2.8 1142 959 A 49 THR HG2% A 55 VAL H 1.0 1.8 5.4 1143 960 A 49 THR HG2% A 53 TYR H 1.0 1.8 5.4 1144 961 A 49 THR HA A 53 TYR H 1.0 1.8 4.8 1145 962 A 49 THR HG2% A 50 ILE H 1.0 1.8 3.8 1146 963 A 49 THR HB A 50 ILE H 1.0 1.8 3.6 1147 964 A 49 THR HA A 50 ILE H 1.0 1.8 2.2 1148 965 A 55 VAL H A 49 THR H 1.0 1.8 4.8 1149 966 A 49 THR HA A 55 VAL H 1.0 1.8 3.6 1150 967 A 49 THR HG2% A 52 GLU H 1.0 1.8 5.4 1151 968 A 49 THR H A 50 ILE H 1.0 1.8 4.4 1152 969 A 50 ILE HD1% A 50 ILE H 1.0 1.8 5.4 1153 970 A 50 ILE HG1x A 51 GLU H 1.0 1.8 4.8 1154 971 A 50 ILE HG2% A 53 TYR H 1.0 1.8 5.4 1155 972 A 50 ILE HG1x A 50 ILE H 1.0 1.8 4.4 1156 973 A 50 ILE HG2% A 50 ILE H 1.0 1.8 4.6 1157 974 A 50 ILE H A 55 VAL HGy% 1.0 1.8 6.7 1158 974 A 55 VAL HGx% A 50 ILE H 1.0 1.8 6.7 1159 975 A 50 ILE HB A 50 ILE H 1.0 1.8 2.8 1160 976 A 50 ILE HA A 50 ILE H 1.0 1.8 3.6 1161 977 A 54 LYS HA A 50 ILE H 1.0 1.8 3.6 1162 978 A 53 TYR H A 50 ILE H 1.0 1.8 3.6 1163 979 A 50 ILE H A 53 TYR HBx 1.0 1.8 4.8 1164 980 A 50 ILE HB A 51 GLU H 1.0 1.8 4.8 1165 981 A 50 ILE HA A 51 GLU H 1.0 1.8 2.4 1166 982 A 50 ILE HG2% A 51 GLU H 1.0 1.8 5.4 1167 983 A 55 VAL HB A 50 ILE H 1.0 1.8 4.8 1168 984 A 53 TYR HBy A 50 ILE H 1.0 1.8 4.8 1169 985 A 53 TYR HD% A 50 ILE H 1.0 1.8 6.9 1170 986 A 51 GLU HA A 51 GLU H 1.0 1.8 2.4 1171 987 A 52 GLU H A 51 GLU HBy 1.0 1.8 4.4 1172 988 A 51 GLU HBx A 51 GLU H 1.0 1.8 4.4 1173 989 A 51 GLU H A 52 GLU H 1.0 1.8 4.4 1174 990 A 51 GLU HBx A 52 GLU H 1.0 1.8 4.4 1175 991 A 52 GLU H A 51 GLU HGy 1.0 1.8 5.3 1176 991 A 51 GLU HGx A 52 GLU H 1.0 1.8 5.3 1177 992 A 51 GLU HA A 52 GLU H 1.0 1.8 2.8 1178 993 A 51 GLU HA A 53 TYR H 1.0 1.8 4.4 1179 994 A 51 GLU H A 51 GLU HBy 1.0 1.8 4.4 1180 995 A 51 GLU H A 51 GLU HGy 1.0 1.8 5.3 1181 995 A 51 GLU HGx A 51 GLU H 1.0 1.8 5.3 1182 996 A 52 GLU HA A 53 TYR H 1.0 1.8 3.6 1183 997 A 53 TYR H A 52 GLU HBx 1.0 1.8 5.3 1184 997 A 52 GLU HBy A 53 TYR H 1.0 1.8 5.3 1185 998 A 52 GLU HGx A 52 GLU H 1.0 1.8 4.4 1186 999 A 52 GLU H A 52 GLU HBx 1.0 1.8 3.7 1187 999 A 52 GLU HBy A 52 GLU H 1.0 1.8 3.7 1188 1000 A 52 GLU HGy A 52 GLU H 1.0 1.8 4.4 1189 1001 A 52 GLU HA A 52 GLU H 1.0 1.8 2.8 1190 1002 A 53 TYR H A 52 GLU H 1.0 1.8 2.8 1191 1003 A 53 TYR HBy A 54 LYS H 1.0 1.8 4.4 1192 1004 A 54 LYS H A 53 TYR HBx 1.0 1.8 4.4 1193 1005 A 53 TYR HE% A 70 ASP H 1.0 1.8 6.5 1194 1006 A 53 TYR H A 53 TYR HBx 1.0 1.8 3.6 1195 1007 A 53 TYR HBy A 53 TYR H 1.0 1.8 3.6 1196 1008 A 53 TYR HA A 54 LYS H 1.0 1.8 2.2 1197 1009 A 53 TYR HD% A 54 LYS H 1.0 1.8 6.9 1198 1010 A 54 LYS H A 54 LYS HBy 1.0 1.8 3.6 1199 1011 A 54 LYS HBx A 54 LYS H 1.0 1.8 3.6 1200 1012 A 54 LYS HGy A 54 LYS H 1.0 1.8 4.4 1201 1013 A 54 LYS HGx A 54 LYS H 1.0 1.8 4.4 1202 1014 A 54 LYS HGx A 55 VAL H 1.0 1.8 4.4 1203 1015 A 54 LYS HGy A 55 VAL H 1.0 1.8 4.4 1204 1016 A 55 VAL H A 54 LYS H 1.0 1.8 4.4 1205 1017 A 55 VAL H A 54 LYS HBy 1.0 1.8 4.4 1206 1018 A 54 LYS HBx A 55 VAL H 1.0 1.8 4.4 1207 1019 A 54 LYS HA A 55 VAL H 1.0 1.8 2.2 1208 1020 A 55 VAL HA A 64 TYR H 1.0 1.8 4.4 1209 1021 A 55 VAL HB A 56 PHE H 1.0 1.8 4.4 1210 1022 A 55 VAL HGx% A 64 TYR H 1.0 1.8 3.8 1211 1023 A 55 VAL H A 55 VAL HGy% 1.0 1.8 5.1 1212 1023 A 55 VAL HGx% A 55 VAL H 1.0 1.8 5.1 1213 1024 A 55 VAL HA A 55 VAL H 1.0 1.8 3.6 1214 1025 A 56 PHE H A 55 VAL HGy% 1.0 1.8 5.1 1215 1025 A 55 VAL HGx% A 56 PHE H 1.0 1.8 5.1 1216 1026 A 55 VAL HA A 56 PHE H 1.0 1.8 2.2 1217 1027 A 56 PHE HBx A 57 VAL H 1.0 1.8 4.4 1218 1028 A 56 PHE HA A 57 VAL H 1.0 1.8 2.2 1219 1029 A 56 PHE HD% A 57 VAL H 1.0 1.8 5.7 1220 1030 A 56 PHE HE% A 59 GLU H 1.0 1.8 5.7 1221 1031 A 56 PHE H A 65 PRO HDy 1.0 1.8 4.8 1222 1032 A 65 PRO HDx A 56 PHE H 1.0 1.8 4.4 1223 1033 A 56 PHE HD% A 64 TYR H 1.0 1.8 6.5 1224 1034 A 56 PHE H A 64 TYR HBx 1.0 1.8 5.7 1225 1034 A 56 PHE H A 64 TYR HBy 1.0 1.8 5.7 1226 1035 A 56 PHE H A 57 VAL HGy% 1.0 1.8 7.1 1227 1035 A 57 VAL HGx% A 56 PHE H 1.0 1.8 7.1 1228 1036 A 56 PHE HE% A 58 ASN H 1.0 1.8 6.5 1229 1037 A 56 PHE H A 63 PRO HA 1.0 1.8 4.8 1230 1038 A 56 PHE HD% A 58 ASN H 1.0 1.8 6.5 1231 1039 A 57 VAL H A 56 PHE HBy 1.0 1.8 4.4 1232 1040 A 56 PHE HD% A 56 PHE H 1.0 1.8 5.7 1233 1041 A 56 PHE HE% A 56 PHE H 1.0 1.8 6.5 1234 1042 A 56 PHE H A 56 PHE HBy 1.0 1.8 3.6 1235 1043 A 56 PHE HBx A 56 PHE H 1.0 1.8 3.6 1236 1044 A 56 PHE HA A 56 PHE H 1.0 1.8 3.6 1237 1045 A 56 PHE H A 64 TYR H 1.0 1.8 3.6 1238 1046 A 61 CYS H A 57 VAL HGy% 1.0 1.8 6.7 1239 1046 A 57 VAL HGx% A 61 CYS H 1.0 1.8 6.7 1240 1047 A 64 TYR H A 57 VAL HGy% 1.0 1.8 6.7 1241 1047 A 57 VAL HGx% A 64 TYR H 1.0 1.8 6.7 1242 1048 A 62 HIS H A 57 VAL HGy% 1.0 1.8 7.1 1243 1048 A 57 VAL HGx% A 62 HIS H 1.0 1.8 7.1 1244 1049 A 58 ASN H A 57 VAL HGy% 1.0 1.8 5.4 1245 1050 A 57 VAL H A 57 VAL HGy% 1.0 1.8 4.6 1246 1051 A 57 VAL HGx% A 57 VAL H 1.0 1.8 4.6 1247 1052 A 57 VAL HB A 57 VAL H 1.0 1.8 2.8 1248 1053 A 57 VAL HA A 57 VAL H 1.0 1.8 3.6 1249 1054 A 57 VAL HA A 58 ASN H 1.0 1.8 2.2 1250 1055 A 57 VAL HGx% A 58 ASN H 1.0 1.8 5.4 1251 1056 A 60 ALA H A 57 VAL HGy% 1.0 1.8 7.1 1252 1056 A 57 VAL HGx% A 60 ALA H 1.0 1.8 7.1 1253 1057 A 57 VAL HB A 58 ASN H 1.0 1.8 4.4 1254 1058 A 57 VAL HA A 64 TYR H 1.0 1.8 3.6 1255 1059 A 58 ASN HBx A 60 ALA H 1.0 1.8 4.8 1256 1060 A 58 ASN H A 58 ASN HBy 1.0 1.8 3.6 1257 1061 A 58 ASN HA A 58 ASN H 1.0 1.8 2.8 1258 1062 A 58 ASN H A 63 PRO HA 1.0 1.8 4.4 1259 1063 A 58 ASN HD2x A 62 HIS HBx 1.0 1.8 5.7 1260 1063 A 58 ASN HD2y A 62 HIS HBx 1.0 1.8 5.7 1261 1064 A 60 ALA HB% A 58 ASN HD2x 1.0 1.8 6.7 1262 1064 A 60 ALA HB% A 58 ASN HD2y 1.0 1.8 6.7 1263 1065 A 58 ASN HBy A 59 GLU H 1.0 1.8 3.6 1264 1066 A 58 ASN HBx A 59 GLU H 1.0 1.8 3.6 1265 1067 A 58 ASN HA A 59 GLU H 1.0 1.8 2.8 1266 1068 A 58 ASN HBy A 60 ALA H 1.0 1.8 4.8 1267 1069 A 58 ASN HA A 60 ALA H 1.0 1.8 4.8 1268 1070 A 58 ASN H A 58 ASN HD2x 1.0 1.8 5.7 1269 1070 A 58 ASN H A 58 ASN HD2y 1.0 1.8 5.7 1270 1071 A 58 ASN H A 64 TYR H 1.0 1.8 4.8 1271 1072 A 58 ASN HBx A 58 ASN H 1.0 1.8 4.4 1272 1073 A 58 ASN H A 59 GLU H 1.0 1.8 4.4 1273 1074 A 59 GLU HGx A 59 GLU H 1.0 1.8 3.6 1274 1075 A 59 GLU H A 59 GLU HBy 1.0 1.8 3.7 1275 1075 A 59 GLU HBx A 59 GLU H 1.0 1.8 3.7 1276 1076 A 60 ALA H A 59 GLU HGy 1.0 1.8 4.4 1277 1077 A 59 GLU HGx A 60 ALA H 1.0 1.8 4.4 1278 1078 A 59 GLU HA A 61 CYS H 1.0 1.8 4.8 1279 1079 A 60 ALA H A 59 GLU HBy 1.0 1.8 4.5 1280 1079 A 59 GLU HBx A 60 ALA H 1.0 1.8 4.5 1281 1080 A 59 GLU HA A 60 ALA H 1.0 1.8 4.4 1282 1081 A 60 ALA H A 59 GLU H 1.0 1.8 2.8 1283 1082 A 60 ALA HB% A 61 CYS H 1.0 1.8 4.6 1284 1083 A 61 CYS H A 60 ALA HA 1.0 1.8 4.4 1285 1084 A 60 ALA HB% A 60 ALA H 1.0 1.8 3.4 1286 1085 A 60 ALA H A 60 ALA HA 1.0 1.8 2.8 1287 1086 A 61 CYS HA A 61 CYS H 1.0 1.8 2.8 1288 1087 A 61 CYS HA A 62 HIS H 1.0 1.8 2.4 1289 1088 A 61 CYS HBx A 77 ASP H 1.0 1.8 4.4 1290 1089 A 61 CYS HBy A 61 CYS H 1.0 1.8 4.4 1291 1090 A 61 CYS HBx A 61 CYS H 1.0 1.8 4.4 1292 1091 A 61 CYS HBy A 77 ASP H 1.0 1.8 4.4 1293 1092 A 61 CYS HBy A 78 PHE H 1.0 1.8 4.4 1294 1093 A 61 CYS HBx A 78 PHE H 1.0 1.8 4.8 1295 1094 A 62 HIS H A 62 HIS HBx 1.0 1.8 3.6 1296 1095 A 62 HIS HBy A 62 HIS H 1.0 1.8 3.6 1297 1096 A 62 HIS HA A 62 HIS H 1.0 1.8 3.6 1298 1097 A 62 HIS HA A 76 GLY H 1.0 1.8 4.4 1299 1098 A 64 TYR H A 63 PRO HDy 1.0 1.8 5.7 1300 1098 A 64 TYR H A 63 PRO HDx 1.0 1.8 5.7 1301 1099 A 76 GLY H A 63 PRO HDy 1.0 1.8 5.3 1302 1099 A 63 PRO HDx A 76 GLY H 1.0 1.8 5.3 1303 1100 A 64 TYR H A 63 PRO HBy 1.0 1.8 4.4 1304 1101 A 64 TYR H A 63 PRO HBx 1.0 1.8 4.4 1305 1102 A 77 ASP H A 63 PRO HDy 1.0 1.8 5.7 1306 1102 A 63 PRO HDx A 77 ASP H 1.0 1.8 5.7 1307 1103 A 64 TYR H A 63 PRO HA 1.0 1.8 2.8 1308 1104 A 64 TYR H A 63 PRO HGx 1.0 1.8 4.8 1309 1105 A 76 GLY H A 63 PRO HGx 1.0 1.8 4.8 1310 1106 A 66 VAL H A 64 TYR HBx 1.0 1.8 5.7 1311 1106 A 64 TYR HBy A 66 VAL H 1.0 1.8 5.7 1312 1107 A 64 TYR H A 64 TYR HBx 1.0 1.8 4.4 1313 1108 A 64 TYR H A 64 TYR HBy 1.0 1.8 4.4 1314 1109 A 64 TYR H A 64 TYR HA 1.0 1.8 3.6 1315 1110 A 64 TYR H A 64 TYR HD% 1.0 1.8 5.7 1316 1111 A 64 TYR H A 66 VAL HG21 1.0 1.8 5.8 1317 1112 A 67 ILE H A 65 PRO HGx 1.0 1.8 5.7 1318 1112 A 65 PRO HGy A 67 ILE H 1.0 1.8 5.7 1319 1113 A 65 PRO HA A 67 ILE H 1.0 1.8 4.8 1320 1114 A 66 VAL H A 65 PRO HGx 1.0 1.8 5.7 1321 1114 A 65 PRO HGy A 66 VAL H 1.0 1.8 5.7 1322 1115 A 66 VAL H A 65 PRO HDy 1.0 1.8 5.7 1323 1115 A 65 PRO HDx A 66 VAL H 1.0 1.8 5.7 1324 1116 A 67 ILE H A 65 PRO HBy 1.0 1.8 4.5 1325 1116 A 65 PRO HBx A 67 ILE H 1.0 1.8 4.5 1326 1117 A 66 VAL H A 65 PRO HBy 1.0 1.8 4.5 1327 1117 A 65 PRO HBx A 66 VAL H 1.0 1.8 4.5 1328 1118 A 65 PRO HA A 66 VAL H 1.0 1.8 2.4 1329 1119 A 74 LEU H A 66 VAL HG21 1.0 1.8 5.9 1330 1119 A 66 VAL HGx% A 74 LEU H 1.0 1.8 5.9 1331 1120 A 66 VAL HA A 74 LEU H 1.0 1.8 4.4 1332 1121 A 66 VAL HB A 67 ILE H 1.0 1.8 3.6 1333 1122 A 66 VAL HA A 67 ILE H 1.0 1.8 3.6 1334 1123 A 66 VAL H A 66 VAL HG21 1.0 1.8 3.4 1335 1124 A 66 VAL HB A 66 VAL H 1.0 1.8 3.6 1336 1125 A 66 VAL H A 67 ILE H 1.0 1.8 2.4 1337 1126 A 67 ILE HA A 74 LEU H 1.0 1.8 4.4 1338 1127 A 67 ILE HG2% A 72 SER H 1.0 1.8 5.4 1339 1128 A 67 ILE HG2% A 68 LEU H 1.0 1.8 5.4 1340 1129 A 67 ILE HB A 68 LEU H 1.0 1.8 4.4 1341 1130 A 68 LEU H A 67 ILE HG1x 1.0 1.8 4.8 1342 1131 A 67 ILE HG1y A 68 LEU H 1.0 1.8 4.8 1343 1132 A 67 ILE HG2% A 71 ARG H 1.0 1.8 5.4 1344 1133 A 67 ILE HD1% A 67 ILE H 1.0 1.8 5.4 1345 1134 A 67 ILE HA A 68 LEU H 1.0 1.8 2.2 1346 1135 A 67 ILE H A 67 ILE HG1x 1.0 1.8 4.4 1347 1136 A 67 ILE H A 68 LEU H 1.0 1.8 4.8 1348 1137 A 67 ILE HG2% A 70 ASP H 1.0 1.8 5.8 1349 1138 A 67 ILE HB A 67 ILE H 1.0 1.8 4.4 1350 1139 A 67 ILE HG2% A 67 ILE H 1.0 1.8 4.6 1351 1140 A 67 ILE HG1y A 67 ILE H 1.0 1.8 4.4 1352 1141 A 67 ILE HA A 67 ILE H 1.0 1.8 2.8 1353 1142 A 72 SER H A 68 LEU HDx% 1.0 1.8 6.7 1354 1142 A 72 SER H A 68 LEU HDy% 1.0 1.8 6.7 1355 1143 A 72 SER H A 68 LEU HBx 1.0 1.8 4.5 1356 1143 A 68 LEU HBy A 72 SER H 1.0 1.8 4.5 1357 1144 A 73 VAL HA A 68 LEU H 1.0 1.8 4.4 1358 1145 A 70 ASP H A 68 LEU HDy% 1.0 1.8 5.8 1359 1146 A 68 LEU H A 68 LEU HDx% 1.0 1.8 5.4 1360 1147 A 68 LEU H A 68 LEU HDy% 1.0 1.8 5.4 1361 1148 A 68 LEU HG A 68 LEU H 1.0 1.8 4.4 1362 1149 A 68 LEU HBy A 68 LEU H 1.0 1.8 4.4 1363 1150 A 68 LEU HA A 68 LEU H 1.0 1.8 3.6 1364 1151 A 68 LEU HA A 70 ASP H 1.0 1.8 4.4 1365 1152 A 71 ARG H A 68 LEU HBx 1.0 1.8 5.3 1366 1152 A 68 LEU HBy A 71 ARG H 1.0 1.8 5.3 1367 1153 A 74 LEU H A 68 LEU H 1.0 1.8 4.8 1368 1154 A 70 ASP H A 68 LEU HDx% 1.0 1.8 6.7 1369 1154 A 70 ASP H A 68 LEU HDy% 1.0 1.8 6.7 1370 1155 A 69 PRO HA A 71 ARG H 1.0 1.8 4.4 1371 1156 A 69 PRO HBx A 70 ASP H 1.0 1.8 4.4 1372 1157 A 70 ASP H A 69 PRO HDx 1.0 1.8 4.4 1373 1158 A 69 PRO HBy A 70 ASP H 1.0 1.8 4.4 1374 1159 A 69 PRO HGy A 70 ASP H 1.0 1.8 4.4 1375 1160 A 69 PRO HGx A 70 ASP H 1.0 1.8 4.4 1376 1161 A 69 PRO HDy A 70 ASP H 1.0 1.8 4.4 1377 1162 A 69 PRO HA A 70 ASP H 1.0 1.8 3.6 1378 1163 A 70 ASP HA A 71 ARG H 1.0 1.8 3.6 1379 1164 A 72 SER H A 70 ASP HBx 1.0 1.8 4.8 1380 1165 A 70 ASP HBy A 71 ARG H 1.0 1.8 4.8 1381 1166 A 71 ARG H A 70 ASP HBx 1.0 1.8 4.8 1382 1167 A 70 ASP HBy A 70 ASP H 1.0 1.8 2.8 1383 1168 A 70 ASP H A 70 ASP HBx 1.0 1.8 2.8 1384 1169 A 70 ASP HA A 70 ASP H 1.0 1.8 2.8 1385 1170 A 70 ASP H A 72 SER H 1.0 1.8 4.4 1386 1171 A 70 ASP H A 71 ARG H 1.0 1.8 2.4 1387 1172 A 71 ARG HBx A 72 SER H 1.0 1.8 4.4 1388 1173 A 71 ARG HBy A 72 SER H 1.0 1.8 4.4 1389 1174 A 71 ARG HBy A 71 ARG H 1.0 1.8 3.6 1390 1175 A 71 ARG HA A 72 SER H 1.0 1.8 3.6 1391 1176 A 71 ARG HBx A 71 ARG H 1.0 1.8 3.6 1392 1177 A 71 ARG HA A 71 ARG H 1.0 1.8 2.2 1393 1178 A 72 SER H A 71 ARG H 1.0 1.8 2.8 1394 1179 A 72 SER HA A 72 SER H 1.0 1.8 2.8 1395 1180 A 73 VAL H A 72 SER HBy 1.0 1.8 4.5 1396 1180 A 72 SER HBx A 73 VAL H 1.0 1.8 4.5 1397 1181 A 72 SER HA A 73 VAL H 1.0 1.8 2.2 1398 1182 A 73 VAL H A 72 SER H 1.0 1.8 4.4 1399 1183 A 73 VAL HGy% A 74 LEU H 1.0 1.8 5.4 1400 1184 A 73 VAL HGx% A 74 LEU H 1.0 1.8 5.4 1401 1185 A 73 VAL HGy% A 73 VAL H 1.0 1.8 4.6 1402 1186 A 73 VAL HB A 73 VAL H 1.0 1.8 2.8 1403 1187 A 73 VAL HA A 73 VAL H 1.0 1.8 3.6 1404 1188 A 73 VAL HGx% A 73 VAL H 1.0 1.8 4.6 1405 1189 A 73 VAL HA A 74 LEU H 1.0 1.8 2.2 1406 1190 A 74 LEU HDx% A 74 LEU H 1.0 1.8 5.4 1407 1191 A 74 LEU HBy A 74 LEU H 1.0 1.8 3.6 1408 1192 A 74 LEU HBx A 74 LEU H 1.0 1.8 3.6 1409 1193 A 74 LEU HA A 74 LEU H 1.0 1.8 3.6 1410 1194 A 75 SER H A 74 LEU HG 1.0 1.8 3.6 1411 1195 A 74 LEU HA A 75 SER H 1.0 1.8 2.2 1412 1196 A 74 LEU HDx% A 75 SER H 1.0 1.8 4.6 1413 1197 A 74 LEU HBx A 75 SER H 1.0 1.8 4.4 1414 1198 A 75 SER H A 74 LEU HBy 1.0 1.8 4.4 1415 1199 A 75 SER H A 75 SER HBy 1.0 1.8 3.7 1416 1199 A 75 SER HBx A 75 SER H 1.0 1.8 3.7 1417 1200 A 75 SER H A 75 SER HA 1.0 1.8 3.6 1418 1201 A 76 GLY H A 75 SER HBy 1.0 1.8 4.5 1419 1201 A 75 SER HBx A 76 GLY H 1.0 1.8 4.5 1420 1202 A 75 SER HA A 76 GLY H 1.0 1.8 2.2 1421 1203 A 76 GLY HAx A 77 ASP H 1.0 1.8 3.6 1422 1204 A 76 GLY HAy A 77 ASP H 1.0 1.8 2.2 1423 1205 A 76 GLY HAy A 76 GLY H 1.0 1.8 3.6 1424 1206 A 76 GLY HAx A 76 GLY H 1.0 1.8 3.6 1425 1207 A 77 ASP HA A 78 PHE H 1.0 1.8 2.4 1426 1208 A 77 ASP H A 77 ASP HBx 1.0 1.8 3.7 1427 1208 A 77 ASP HBy A 77 ASP H 1.0 1.8 3.7 1428 1209 A 77 ASP HA A 77 ASP H 1.0 1.8 3.6 1429 1210 A 82 TYR HE% A 77 ASP H 1.0 1.8 6.9 1430 1211 A 78 PHE H A 77 ASP HBx 1.0 1.8 5.3 1431 1211 A 77 ASP HBy A 78 PHE H 1.0 1.8 5.3 1432 1212 A 78 PHE HBx A 79 THR H 1.0 1.8 3.6 1433 1213 A 78 PHE HA A 79 THR H 1.0 1.8 2.8 1434 1214 A 78 PHE HBy A 81 ALA H 1.0 1.8 3.6 1435 1215 A 81 ALA HB% A 78 PHE H 1.0 1.8 5.8 1436 1216 A 78 PHE HBy A 80 SER H 1.0 1.8 3.6 1437 1217 A 78 PHE HBx A 80 SER H 1.0 1.8 3.6 1438 1218 A 78 PHE HBy A 79 THR H 1.0 1.8 4.4 1439 1219 A 78 PHE HD% A 79 THR H 1.0 1.8 6.5 1440 1220 A 78 PHE HBy A 78 PHE H 1.0 1.8 3.6 1441 1221 A 78 PHE HBx A 78 PHE H 1.0 1.8 3.6 1442 1222 A 78 PHE HA A 78 PHE H 1.0 1.8 3.6 1443 1223 A 78 PHE HD% A 78 PHE H 1.0 1.8 4.9 1444 1224 A 78 PHE HD% A 80 SER H 1.0 1.8 6.9 1445 1225 A 78 PHE H A 81 ALA H 1.0 1.8 4.8 1446 1226 A 78 PHE HD% A 81 ALA H 1.0 1.8 6.5 1447 1227 A 78 PHE HA A 80 SER H 1.0 1.8 4.4 1448 1228 A 78 PHE HBx A 81 ALA H 1.0 1.8 3.6 1449 1229 A 78 PHE HE% A 78 PHE H 1.0 1.8 6.5 1450 1230 A 79 THR H A 78 PHE H 1.0 1.8 4.8 1451 1231 A 79 THR HG2% A 79 THR H 1.0 1.8 4.6 1452 1232 A 79 THR HA A 79 THR H 1.0 1.8 3.6 1453 1233 A 79 THR HB A 79 THR H 1.0 1.8 3.6 1454 1234 A 79 THR HG2% A 80 SER H 1.0 1.8 5.4 1455 1235 A 79 THR H A 80 SER H 1.0 1.8 4.4 1456 1236 A 79 THR HB A 80 SER H 1.0 1.8 3.6 1457 1237 A 79 THR H A 81 ALA H 1.0 1.8 4.8 1458 1238 A 79 THR HA A 82 TYR H 1.0 1.8 4.4 1459 1239 A 79 THR HA A 80 SER H 1.0 1.8 3.6 1460 1240 A 80 SER HBx A 80 SER H 1.0 1.8 3.6 1461 1241 A 80 SER HBy A 80 SER H 1.0 1.8 2.8 1462 1242 A 80 SER H A 80 SER HA 1.0 1.8 4.4 1463 1243 A 82 TYR HD% A 80 SER H 1.0 1.8 6.5 1464 1244 A 81 ALA H A 80 SER H 1.0 1.8 4.4 1465 1245 A 80 SER HBx A 81 ALA H 1.0 1.8 3.6 1466 1246 A 81 ALA HB% A 82 TYR H 1.0 1.8 4.6 1467 1247 A 82 TYR H A 81 ALA HA 1.0 1.8 2.8 1468 1248 A 81 ALA HB% A 81 ALA H 1.0 1.8 3.4 1469 1249 A 81 ALA H A 81 ALA HA 1.0 1.8 2.8 1470 1250 A 81 ALA H A 82 TYR H 1.0 1.8 2.8 1471 1251 A 82 TYR HD% A 81 ALA H 1.0 1.8 6.9 1472 1252 A 82 TYR HBy A 83 ALA H 1.0 1.8 3.6 1473 1253 A 82 TYR HBx A 83 ALA H 1.0 1.8 3.6 1474 1254 A 82 TYR HA A 83 ALA H 1.0 1.8 3.6 1475 1255 A 82 TYR HBy A 82 TYR H 1.0 1.8 3.6 1476 1256 A 82 TYR HBx A 82 TYR H 1.0 1.8 3.6 1477 1257 A 82 TYR HA A 82 TYR H 1.0 1.8 2.8 1478 1258 A 82 TYR HD% A 82 TYR H 1.0 1.8 4.9 1479 1259 A 82 TYR HE% A 82 TYR H 1.0 1.8 6.9 1480 1260 A 82 TYR HD% A 83 ALA H 1.0 1.8 5.7 1481 1261 A 83 ALA HB% A 83 ALA H 1.0 1.8 3.4 1482 1262 A 83 ALA HA A 83 ALA H 1.0 1.8 2.8 1483 1263 A 83 ALA HB% A 85 ASP H 1.0 1.8 4.6 1484 1264 A 83 ALA HB% A 84 ASP H 1.0 1.8 3.8 1485 1265 A 83 ALA HA A 84 ASP H 1.0 1.8 3.6 1486 1266 A 83 ALA H A 84 ASP H 1.0 1.8 3.6 1487 1267 A 83 ALA HA A 85 ASP H 1.0 1.8 4.4 1488 1268 A 84 ASP H A 84 ASP HA 1.0 1.8 2.8 1489 1269 A 84 ASP H A 84 ASP HBy 1.0 1.8 3.6 1490 1270 A 84 ASP H A 84 ASP HBx 1.0 1.8 3.6 1491 1271 A 85 ASP H A 85 ASP HA 1.0 1.8 3.6 1492 1272 A 85 ASP H A 85 ASP HBy 1.0 1.8 3.6 1493 1273 A 85 ASP H A 85 ASP HBx 1.0 1.8 3.6 1494 1274 A 87 GLU H A 86 ASP HBx 1.0 1.8 5.3 1495 1274 A 86 ASP HBy A 87 GLU H 1.0 1.8 5.3 1496 1275 A 86 ASP H A 86 ASP HA 1.0 1.8 3.6 1497 1276 A 86 ASP H A 86 ASP HBx 1.0 1.8 2.8 1498 1277 A 87 GLU H A 86 ASP HA 1.0 1.8 2.8 1499 1278 A 86 ASP HBy A 86 ASP H 1.0 1.8 2.8 1500 1279 A 87 GLU H A 87 GLU HBx 1.0 1.8 3.6 1501 1280 A 87 GLU H A 87 GLU HBy 1.0 1.8 3.6 1502 1281 A 88 SER H A 87 GLU HBy 1.0 1.8 5.3 1503 1281 A 87 GLU HBx A 88 SER H 1.0 1.8 5.3 1504 1282 A 87 GLU HA A 88 SER H 1.0 1.8 4.4 1505 1283 A 87 GLU HA A 87 GLU H 1.0 1.8 3.6 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 26 CYS H A 42 ALA O 1.0 1.8 2.0 2 2 A 42 ALA O A 26 CYS N 1.0 1.8 3.0 3 3 A 28 ILE H A 40 TYR O 1.0 1.8 2.0 4 4 A 40 TYR O A 28 ILE N 1.0 1.8 3.0 5 5 A 29 GLN H A 75 SER O 1.0 1.8 2.0 6 6 A 75 SER O A 29 GLN N 1.0 1.8 3.0 7 7 A 30 ARG H A 38 ASN O 1.0 1.8 2.0 8 8 A 38 ASN O A 30 ARG N 1.0 1.8 3.0 9 9 A 46 GLU H A 57 VAL O 1.0 1.8 2.0 10 10 A 57 VAL O A 46 GLU N 1.0 1.8 3.0 11 11 A 48 ILE H A 55 VAL O 1.0 1.8 2.0 12 12 A 55 VAL O A 48 ILE N 1.0 1.8 3.0 13 13 A 50 ILE H A 53 TYR O 1.0 1.8 2.0 14 14 A 53 TYR O A 50 ILE N 1.0 1.8 3.0 15 15 A 55 VAL H A 48 ILE O 1.0 1.8 2.0 16 16 A 48 ILE O A 55 VAL N 1.0 1.8 3.0 17 17 A 56 PHE H A 64 TYR O 1.0 1.8 2.0 18 18 A 64 TYR O A 56 PHE N 1.0 1.8 3.0 19 19 A 57 VAL H A 46 GLU O 1.0 1.8 2.0 20 20 A 46 GLU O A 57 VAL N 1.0 1.8 3.0 21 21 A 64 TYR H A 56 PHE O 1.0 1.8 2.0 22 22 A 56 PHE O A 64 TYR N 1.0 1.8 3.0 23 23 A 68 LEU H A 72 SER O 1.0 1.8 2.0 24 24 A 72 SER O A 68 LEU N 1.0 1.8 3.0 25 25 A 73 VAL H A 31 TYR O 1.0 1.8 2.0 26 26 A 31 TYR O A 73 VAL N 1.0 1.8 3.0 27 27 A 74 LEU H A 66 VAL O 1.0 1.8 2.0 28 28 A 66 VAL O A 74 LEU N 1.0 1.8 3.0 29 29 A 75 SER H A 29 GLN O 1.0 1.8 2.0 30 30 A 29 GLN O A 75 SER N 1.0 1.8 3.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 23 TRP C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -122.0 -46.0 PHI 2 2 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 ASP N 1.0 117.0 189.0 PSI 3 3 A 25 ASP C A 26 CYS N A 26 CYS CA A 26 CYS C 1.0 -162.0 -106.0 PHI 4 4 A 26 CYS N A 26 CYS CA A 26 CYS C A 27 ILE N 1.0 129.0 165.0 PSI 5 5 A 26 CYS C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -138.0 -98.0 PHI 6 6 A 27 ILE N A 27 ILE CA A 27 ILE C A 28 ILE N 1.0 109.0 133.0 PSI 7 7 A 27 ILE C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -136.0 -92.0 PHI 8 8 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 GLN N 1.0 113.0 141.0 PSI 9 9 A 28 ILE C A 29 GLN N A 29 GLN CA A 29 GLN C 1.0 -149.0 -85.0 PHI 10 10 A 29 GLN N A 29 GLN CA A 29 GLN C A 30 ARG N 1.0 101.0 165.0 PSI 11 11 A 29 GLN C A 30 ARG N A 30 ARG CA A 30 ARG C 1.0 -162.0 -90.0 PHI 12 12 A 30 ARG N A 30 ARG CA A 30 ARG C A 31 TYR N 1.0 111.0 155.0 PSI 13 13 A 30 ARG C A 31 TYR N A 31 TYR CA A 31 TYR C 1.0 -133.0 -97.0 PHI 14 14 A 31 TYR N A 31 TYR CA A 31 TYR C A 32 LYS N 1.0 111.0 147.0 PSI 15 15 A 31 TYR C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -178.0 -78.0 PHI 16 16 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 ASP N 1.0 111.0 163.0 PSI 17 17 A 32 LYS C A 33 ASP N A 33 ASP CA A 33 ASP C 1.0 41.0 61.0 PHI 18 18 A 33 ASP N A 33 ASP CA A 33 ASP C A 34 GLY N 1.0 31.0 51.0 PSI 19 19 A 33 ASP C A 34 GLY N A 34 GLY CA A 34 GLY C 1.0 61.0 97.0 PHI 20 20 A 34 GLY N A 34 GLY CA A 34 GLY C A 35 ASP N 1.0 -23.0 29.0 PSI 21 21 A 35 ASP C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -110.0 -50.0 PHI 22 22 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 ASN N 1.0 111.0 135.0 PSI 23 23 A 37 ASN C A 38 ASN N A 38 ASN CA A 38 ASN C 1.0 -176.0 -120.0 PHI 24 24 A 38 ASN N A 38 ASN CA A 38 ASN C A 39 ILE N 1.0 139.0 179.0 PSI 25 25 A 38 ASN C A 39 ILE N A 39 ILE CA A 39 ILE C 1.0 -178.0 -86.0 PHI 26 26 A 39 ILE N A 39 ILE CA A 39 ILE C A 40 TYR N 1.0 115.0 179.0 PSI 27 27 A 39 ILE C A 40 TYR N A 40 TYR CA A 40 TYR C 1.0 -161.0 -97.0 PHI 28 28 A 40 TYR N A 40 TYR CA A 40 TYR C A 41 THR N 1.0 133.0 169.0 PSI 29 29 A 40 TYR C A 41 THR N A 41 THR CA A 41 THR C 1.0 -165.0 -105.0 PHI 30 30 A 41 THR N A 41 THR CA A 41 THR C A 42 ALA N 1.0 135.0 175.0 PSI 31 31 A 41 THR C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -170.0 -110.0 PHI 32 32 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 ASN N 1.0 108.0 164.0 PSI 33 33 A 44 ARG C A 45 ASN N A 45 ASN CA A 45 ASN C 1.0 42.0 90.0 PHI 34 34 A 45 ASN N A 45 ASN CA A 45 ASN C A 46 GLU N 1.0 -5.0 67.0 PSI 35 35 A 46 GLU C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -140.0 -80.0 PHI 36 36 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 ILE N 1.0 110.0 162.0 PSI 37 37 A 47 GLU C A 48 ILE N A 48 ILE CA A 48 ILE C 1.0 -162.0 -86.0 PHI 38 38 A 48 ILE N A 48 ILE CA A 48 ILE C A 49 THR N 1.0 127.0 183.0 PSI 39 39 A 48 ILE C A 49 THR N A 49 THR CA A 49 THR C 1.0 -136.0 -84.0 PHI 40 40 A 49 THR N A 49 THR CA A 49 THR C A 50 ILE N 1.0 107.0 151.0 PSI 41 41 A 50 ILE C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 36.0 64.0 PHI 42 42 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 GLU N 1.0 26.0 58.0 PSI 43 43 A 53 TYR C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -128.0 -60.0 PHI 44 44 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 VAL N 1.0 85.0 153.0 PSI 45 45 A 54 LYS C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -147.0 -91.0 PHI 46 46 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 PHE N 1.0 111.0 155.0 PSI 47 47 A 55 VAL C A 56 PHE N A 56 PHE CA A 56 PHE C 1.0 -137.0 -69.0 PHI 48 48 A 56 PHE N A 56 PHE CA A 56 PHE C A 57 VAL N 1.0 99.0 147.0 PSI 49 49 A 56 PHE C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -132.0 -80.0 PHI 50 50 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 ASN N 1.0 93.0 157.0 PSI 51 51 A 65 PRO C A 66 VAL N A 66 VAL CA A 66 VAL C 1.0 -123.0 -39.0 PHI 52 52 A 66 VAL N A 66 VAL CA A 66 VAL C A 67 ILE N 1.0 -48.0 28.0 PSI 53 53 A 69 PRO C A 70 ASP N A 70 ASP CA A 70 ASP C 1.0 -113.0 -73.0 PHI 54 54 A 70 ASP N A 70 ASP CA A 70 ASP C A 71 ARG N 1.0 -12.0 32.0 PSI 55 55 A 70 ASP C A 71 ARG N A 71 ARG CA A 71 ARG C 1.0 47.0 79.0 PHI 56 56 A 71 ARG N A 71 ARG CA A 71 ARG C A 72 SER N 1.0 -3.0 57.0 PSI 57 57 A 71 ARG C A 72 SER N A 72 SER CA A 72 SER C 1.0 -129.0 -41.0 PHI 58 58 A 72 SER N A 72 SER CA A 72 SER C A 73 VAL N 1.0 128.0 168.0 PSI 59 59 A 72 SER C A 73 VAL N A 73 VAL CA A 73 VAL C 1.0 -160.0 -92.0 PHI 60 60 A 73 VAL N A 73 VAL CA A 73 VAL C A 74 LEU N 1.0 116.0 168.0 PSI 61 61 A 73 VAL C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -150.0 -86.0 PHI 62 62 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 SER N 1.0 123.0 171.0 PSI 63 63 A 74 LEU C A 75 SER N A 75 SER CA A 75 SER C 1.0 -187.0 -71.0 PHI 64 64 A 75 SER N A 75 SER CA A 75 SER C A 76 GLY N 1.0 119.0 171.0 PSI 65 65 A 76 GLY C A 77 ASP N A 77 ASP CA A 77 ASP C 1.0 -165.0 -109.0 PHI 66 66 A 77 ASP N A 77 ASP CA A 77 ASP C A 78 PHE N 1.0 125.0 177.0 PSI 67 67 A 77 ASP C A 78 PHE N A 78 PHE CA A 78 PHE C 1.0 -114.0 -46.0 PHI 68 68 A 78 PHE N A 78 PHE CA A 78 PHE C A 79 THR N 1.0 111.0 151.0 PSI 69 69 A 78 PHE C A 79 THR N A 79 THR CA A 79 THR C 1.0 -91.0 -31.0 PHI 70 70 A 79 THR N A 79 THR CA A 79 THR C A 80 SER N 1.0 -60.0 -4.0 PSI 71 71 A 79 THR C A 80 SER N A 80 SER CA A 80 SER C 1.0 -89.0 -57.0 PHI 72 72 A 80 SER N A 80 SER CA A 80 SER C A 81 ALA N 1.0 -47.0 13.0 PSI stop_ save_