data_nef_c30247_5utv save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5UTV stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 SER start . . 2 A 2 HIS middle . . 3 A 3 MET middle . . 4 A 4 THR middle . . 5 A 5 ALA middle . . 6 A 6 VAL middle . . 7 A 7 GLN middle . . 8 A 8 ASP middle . . 9 A 9 PHE middle . . 10 A 10 VAL middle . . 11 A 11 VAL middle . . 12 A 12 ASP middle . . 13 A 13 ILE middle . . 14 A 14 LEU middle . . 15 A 15 LEU middle . . 16 A 16 ASN middle . . 17 A 17 GLY middle . false 18 A 18 ALA middle . . 19 A 19 ARG middle . . 20 A 20 ASP middle . . 21 A 21 TRP middle . . 22 A 22 ASP middle . . 23 A 23 VAL middle . . 24 A 24 LEU middle . . 25 A 25 GLN middle . . 26 A 26 THR middle . . 27 A 27 THR middle . . 28 A 28 CYS middle . . 29 A 29 THR middle . . 30 A 30 VAL middle . . 31 A 31 ASP middle . . 32 A 32 ARG middle . . 33 A 33 LYS middle . . 34 A 34 VAL middle . . 35 A 35 TYR middle . . 36 A 36 LYS middle . . 37 A 37 THR middle . . 38 A 38 ILE middle . . 39 A 39 CYS middle . . 40 A 40 LYS middle . . 41 A 41 ARG middle . . 42 A 42 GLY middle . false 43 A 43 ASN middle . . 44 A 44 THR middle . . 45 A 45 TYR middle . . 46 A 46 LEU middle . . 47 A 47 CYS middle . . 48 A 48 PHE middle . . 49 A 49 ASP middle . . 50 A 50 ASP middle . . 51 A 51 THR middle . . 52 A 52 ASN middle . . 53 A 53 LEU middle . . 54 A 54 TYR middle . . 55 A 55 ALA middle . . 56 A 56 ILE middle . . 57 A 57 THR middle . . 58 A 58 GLY middle . false 59 A 59 ASP middle . . 60 A 60 VAL middle . . 61 A 61 VAL middle . . 62 A 62 LEU middle . . 63 A 63 LYS middle . . 64 A 64 PHE middle . . 65 A 65 ALA middle . . 66 A 66 THR middle . . 67 A 67 VAL middle . . 68 A 68 SER middle . . 69 A 69 LYS middle . . 70 A 70 ALA middle . . 71 A 71 ARG middle . . 72 A 72 ALA middle . . 73 A 73 TYR middle . . 74 A 74 LEU middle . . 75 A 75 GLU middle . . 76 A 76 THR middle . . 77 A 77 LYS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 SER C C 13 178.720 0.000 A 2 HIS H H 1 8.430 0.000 A 2 HIS HA H 1 4.611 0.000 A 2 HIS HBy H 1 2.167 0.000 A 2 HIS HBx H 1 2.019 0.000 A 2 HIS HD2 H 1 7.187 0.000 A 2 HIS HE1 H 1 8.238 0.000 A 2 HIS C C 13 178.750 0.000 A 2 HIS CA C 13 55.750 0.000 A 2 HIS CB C 13 26.830 0.000 A 2 HIS CD2 C 13 119.626 0.000 A 2 HIS CE1 C 13 137.233 0.000 A 2 HIS N N 15 112.787 0.000 A 3 MET H H 1 8.381 0.000 A 3 MET HA H 1 4.588 0.000 A 3 MET HBy H 1 2.160 0.000 A 3 MET HBx H 1 2.011 0.000 A 3 MET HGx H 1 2.392 0.000 A 3 MET HGy H 1 2.392 0.000 A 3 MET C C 13 179.590 0.000 A 3 MET CA C 13 56.160 0.000 A 3 MET CB C 13 33.810 0.000 A 3 MET CG C 13 31.860 0.000 A 3 MET N N 15 112.400 0.000 A 4 THR H H 1 8.342 0.020 A 4 THR HA H 1 4.378 0.020 A 4 THR HB H 1 4.565 0.000 A 4 THR HG2% H 1 1.287 0.000 A 4 THR C C 13 177.300 0.000 A 4 THR CA C 13 61.581 0.300 A 4 THR CB C 13 70.033 0.300 A 4 THR CG2 C 13 21.306 0.000 A 4 THR N N 15 112.223 0.300 A 5 ALA H H 1 8.465 0.020 A 5 ALA HA H 1 4.254 0.020 A 5 ALA HB% H 1 1.521 0.020 A 5 ALA C C 13 172.230 0.000 A 5 ALA CA C 13 54.590 0.300 A 5 ALA CB C 13 18.129 0.300 A 5 ALA N N 15 122.407 0.300 A 6 VAL H H 1 7.958 0.020 A 6 VAL HA H 1 3.425 0.020 A 6 VAL HB H 1 1.911 0.020 A 6 VAL HGx% H 1 0.877 0.000 A 6 VAL HGy% H 1 1.060 0.000 A 6 VAL C C 13 179.650 0.000 A 6 VAL CA C 13 66.712 0.300 A 6 VAL CB C 13 31.650 0.300 A 6 VAL CGx C 13 20.630 0.000 A 6 VAL CGy C 13 22.333 0.000 A 6 VAL N N 15 117.361 0.300 A 7 GLN H H 1 7.826 0.020 A 7 GLN HA H 1 3.743 0.020 A 7 GLN HBy H 1 2.129 0.020 A 7 GLN HBx H 1 2.001 0.000 A 7 GLN HE2y H 1 7.510 0.000 A 7 GLN HE2x H 1 6.584 0.000 A 7 GLN HGx H 1 2.392 0.000 A 7 GLN HGy H 1 2.392 0.000 A 7 GLN C C 13 180.590 0.000 A 7 GLN CA C 13 58.700 0.300 A 7 GLN CB C 13 27.985 0.300 A 7 GLN CG C 13 33.986 0.000 A 7 GLN N N 15 116.950 0.300 A 7 GLN NE2 N 15 110.190 0.000 A 8 ASP H H 1 8.361 0.020 A 8 ASP HA H 1 4.306 0.020 A 8 ASP HBx H 1 2.680 0.020 A 8 ASP HBy H 1 2.680 0.020 A 8 ASP C C 13 180.980 0.000 A 8 ASP CA C 13 56.900 0.300 A 8 ASP CB C 13 39.660 0.300 A 8 ASP N N 15 116.757 0.300 A 9 PHE H H 1 7.620 0.020 A 9 PHE HA H 1 4.157 0.020 A 9 PHE HBx H 1 3.041 0.300 A 9 PHE HBy H 1 3.336 0.020 A 9 PHE HDx H 1 6.980 0.020 A 9 PHE HDy H 1 6.980 0.020 A 9 PHE HEx H 1 6.824 0.000 A 9 PHE HEy H 1 6.824 0.000 A 9 PHE HZ H 1 6.647 0.000 A 9 PHE C C 13 172.210 0.000 A 9 PHE CA C 13 60.631 0.300 A 9 PHE CB C 13 39.005 0.300 A 9 PHE CDx C 13 132.170 0.300 A 9 PHE CEx C 13 129.990 0.000 A 9 PHE CZ C 13 128.190 0.000 A 9 PHE N N 15 120.813 0.300 A 10 VAL H H 1 8.002 0.020 A 10 VAL HA H 1 3.071 0.020 A 10 VAL HB H 1 1.873 0.020 A 10 VAL HGx% H 1 0.502 0.000 A 10 VAL HGy% H 1 0.360 0.000 A 10 VAL C C 13 171.100 0.000 A 10 VAL CA C 13 67.118 0.300 A 10 VAL CB C 13 31.173 0.300 A 10 VAL CGx C 13 20.374 0.000 A 10 VAL CGy C 13 21.827 0.000 A 10 VAL N N 15 117.626 0.300 A 11 VAL H H 1 8.074 0.020 A 11 VAL HA H 1 3.450 0.020 A 11 VAL HB H 1 2.068 0.020 A 11 VAL HGx% H 1 1.131 0.000 A 11 VAL HGy% H 1 1.018 0.000 A 11 VAL C C 13 179.850 0.000 A 11 VAL CA C 13 66.439 0.300 A 11 VAL CB C 13 31.220 0.300 A 11 VAL CGx C 13 21.180 0.000 A 11 VAL CGy C 13 22.989 0.000 A 11 VAL N N 15 115.405 0.300 A 12 ASP H H 1 7.459 0.020 A 12 ASP HA H 1 4.257 0.020 A 12 ASP HBx H 1 2.667 0.020 A 12 ASP HBy H 1 2.667 0.020 A 12 ASP C C 13 180.970 0.000 A 12 ASP CA C 13 57.378 0.300 A 12 ASP CB C 13 41.609 0.300 A 12 ASP N N 15 117.047 0.300 A 13 ILE H H 1 7.620 0.020 A 13 ILE HA H 1 3.450 0.020 A 13 ILE HB H 1 1.628 0.020 A 13 ILE HD1% H 1 0.098 0.000 A 13 ILE HG1y H 1 0.781 0.000 A 13 ILE HG1x H 1 0.689 0.000 A 13 ILE HG2% H 1 0.542 0.000 A 13 ILE C C 13 181.350 0.000 A 13 ILE CA C 13 62.798 0.300 A 13 ILE CB C 13 35.449 0.300 A 13 ILE CD1 C 13 10.872 0.000 A 13 ILE CG1 C 13 27.626 0.000 A 13 ILE CG2 C 13 18.033 0.000 A 13 ILE N N 15 117.675 0.300 A 14 LEU H H 1 8.271 0.020 A 14 LEU HA H 1 3.927 0.020 A 14 LEU HBx H 1 1.340 0.300 A 14 LEU HBy H 1 1.819 0.020 A 14 LEU HDx% H 1 0.762 0.000 A 14 LEU HDy% H 1 0.784 0.000 A 14 LEU HG H 1 1.799 0.000 A 14 LEU C C 13 171.060 0.000 A 14 LEU CA C 13 57.842 0.300 A 14 LEU CB C 13 41.246 0.300 A 14 LEU CDy C 13 25.140 0.000 A 14 LEU CDx C 13 22.861 0.000 A 14 LEU CG C 13 25.940 0.000 A 14 LEU N N 15 117.771 0.300 A 15 LEU H H 1 8.074 0.020 A 15 LEU HA H 1 4.257 0.020 A 15 LEU HBy H 1 1.689 0.020 A 15 LEU HBx H 1 1.482 0.020 A 15 LEU HDy% H 1 -0.111 0.000 A 15 LEU HG H 1 1.624 0.000 A 15 LEU C C 13 181.280 0.000 A 15 LEU CA C 13 56.623 0.300 A 15 LEU CB C 13 42.913 0.300 A 15 LEU CDy C 13 24.270 0.020 A 15 LEU CDx C 13 22.970 0.000 A 15 LEU CG C 13 26.470 0.000 A 15 LEU N N 15 115.067 0.300 A 16 ASN H H 1 8.477 0.020 A 16 ASN HA H 1 4.856 0.020 A 16 ASN HBx H 1 2.741 0.020 A 16 ASN HBy H 1 2.741 0.020 A 16 ASN HD2y H 1 7.851 0.000 A 16 ASN HD2x H 1 6.955 0.000 A 16 ASN C C 13 179.080 0.000 A 16 ASN CA C 13 53.864 0.300 A 16 ASN CB C 13 40.596 0.300 A 16 ASN N N 15 113.087 0.300 A 16 ASN ND2 N 15 116.163 0.000 A 17 GLY H H 1 8.641 0.020 A 17 GLY HAy H 1 4.183 0.020 A 17 GLY HAx H 1 3.731 0.020 A 17 GLY C C 13 173.760 0.000 A 17 GLY CA C 13 44.230 0.300 A 17 GLY N N 15 110.480 0.300 A 18 ALA H H 1 8.472 0.020 A 18 ALA HA H 1 4.452 0.020 A 18 ALA HB% H 1 1.139 0.020 A 18 ALA C C 13 178.730 0.000 A 18 ALA CA C 13 51.018 0.300 A 18 ALA CB C 13 20.996 0.300 A 18 ALA N N 15 118.254 0.300 A 19 ARG H H 1 8.543 0.020 A 19 ARG HA H 1 4.000 0.020 A 19 ARG HBy H 1 1.949 0.000 A 19 ARG HBx H 1 1.814 0.000 A 19 ARG HDx H 1 3.199 0.020 A 19 ARG HDy H 1 3.199 0.020 A 19 ARG HGy H 1 1.652 0.000 A 19 ARG HGx H 1 1.597 0.000 A 19 ARG C C 13 179.350 0.000 A 19 ARG CA C 13 58.007 0.300 A 19 ARG CB C 13 29.020 0.300 A 19 ARG CD C 13 42.970 0.300 A 19 ARG CG C 13 26.380 0.000 A 19 ARG N N 15 120.958 0.300 A 20 ASP H H 1 8.948 0.020 A 20 ASP HA H 1 4.391 0.020 A 20 ASP HBy H 1 3.071 0.020 A 20 ASP HBx H 1 2.716 0.020 A 20 ASP C C 13 177.420 0.000 A 20 ASP CA C 13 56.100 0.300 A 20 ASP CB C 13 39.145 0.300 A 20 ASP N N 15 117.626 0.300 A 21 TRP H H 1 8.428 0.020 A 21 TRP HA H 1 4.648 0.020 A 21 TRP HBy H 1 3.144 0.020 A 21 TRP HBx H 1 2.961 0.020 A 21 TRP HD1 H 1 7.504 0.020 A 21 TRP HE1 H 1 10.364 0.000 A 21 TRP HE3 H 1 7.202 0.000 A 21 TRP HH2 H 1 7.194 0.000 A 21 TRP HZ2 H 1 7.346 0.020 A 21 TRP HZ3 H 1 7.038 0.300 A 21 TRP C C 13 177.970 0.000 A 21 TRP CA C 13 56.362 0.300 A 21 TRP CB C 13 27.949 0.300 A 21 TRP CD1 C 13 128.000 0.300 A 21 TRP CE3 C 13 120.800 0.000 A 21 TRP CH2 C 13 122.800 0.000 A 21 TRP CZ2 C 13 113.760 0.300 A 21 TRP CZ3 C 13 122.148 0.300 A 21 TRP N N 15 118.447 0.300 A 21 TRP NE1 N 15 129.988 0.000 A 22 ASP H H 1 9.229 0.020 A 22 ASP HA H 1 5.125 0.020 A 22 ASP HBx H 1 2.643 0.020 A 22 ASP HBy H 1 2.643 0.020 A 22 ASP C C 13 178.860 0.000 A 22 ASP CA C 13 52.848 0.300 A 22 ASP CB C 13 42.260 0.300 A 22 ASP N N 15 120.427 0.300 A 23 VAL H H 1 9.029 0.020 A 23 VAL HA H 1 4.147 0.020 A 23 VAL HB H 1 2.044 0.020 A 23 VAL HGx% H 1 0.541 0.000 A 23 VAL HGy% H 1 1.081 0.000 A 23 VAL C C 13 178.400 0.000 A 23 VAL CA C 13 64.320 0.300 A 23 VAL CB C 13 31.395 0.300 A 23 VAL CGx C 13 20.970 0.000 A 23 VAL CGy C 13 22.465 0.000 A 23 VAL N N 15 124.338 0.300 A 24 LEU H H 1 8.168 0.020 A 24 LEU HA H 1 4.452 0.020 A 24 LEU HBx H 1 1.444 0.300 A 24 LEU HBy H 1 1.565 0.020 A 24 LEU HDx% H 1 0.965 0.000 A 24 LEU HDy% H 1 0.941 0.000 A 24 LEU HG H 1 3.233 0.000 A 24 LEU C C 13 177.040 0.000 A 24 LEU CA C 13 55.621 0.300 A 24 LEU CB C 13 43.840 0.300 A 24 LEU CDy C 13 25.650 0.000 A 24 LEU CDx C 13 23.780 0.000 A 24 LEU CG C 13 30.732 0.000 A 24 LEU N N 15 129.070 0.300 A 25 GLN H H 1 9.034 0.020 A 25 GLN HA H 1 4.827 0.020 A 25 GLN HBy H 1 2.132 0.020 A 25 GLN HBx H 1 2.041 0.020 A 25 GLN HE2y H 1 7.726 0.000 A 25 GLN HE2x H 1 6.916 0.000 A 25 GLN HGy H 1 2.355 0.000 A 25 GLN HGx H 1 2.182 0.000 A 25 GLN C C 13 176.290 0.000 A 25 GLN CA C 13 54.997 0.300 A 25 GLN CB C 13 30.326 0.300 A 25 GLN CG C 13 34.856 0.000 A 25 GLN N N 15 125.690 0.300 A 25 GLN NE2 N 15 110.983 0.000 A 26 THR H H 1 8.597 0.020 A 26 THR HA H 1 4.764 0.020 A 26 THR HB H 1 4.157 0.020 A 26 THR HG2% H 1 1.149 0.000 A 26 THR C C 13 176.320 0.000 A 26 THR CA C 13 58.046 0.300 A 26 THR CB C 13 69.165 0.300 A 26 THR CG2 C 13 18.315 0.000 A 26 THR N N 15 120.813 0.300 A 27 THR H H 1 8.626 0.020 A 27 THR HA H 1 5.485 0.020 A 27 THR HB H 1 4.030 0.020 A 27 THR HG2% H 1 1.042 0.000 A 27 THR C C 13 176.140 0.000 A 27 THR CA C 13 59.401 0.300 A 27 THR CB C 13 71.900 0.300 A 27 THR CG2 C 13 21.339 0.000 A 27 THR N N 15 112.556 0.300 A 28 CYS H H 1 8.861 0.020 A 28 CYS HA H 1 4.637 0.020 A 28 CYS HBy H 1 2.537 0.020 A 28 CYS HBx H 1 2.385 0.020 A 28 CYS C C 13 175.580 0.000 A 28 CYS CA C 13 57.059 0.300 A 28 CYS CB C 13 30.159 0.300 A 28 CYS N N 15 117.095 0.300 A 29 THR H H 1 8.685 0.020 A 29 THR HA H 1 5.409 0.020 A 29 THR HB H 1 3.853 0.020 A 29 THR HG2% H 1 0.891 0.000 A 29 THR C C 13 177.110 0.000 A 29 THR CA C 13 61.175 0.300 A 29 THR CB C 13 69.799 0.300 A 29 THR CG2 C 13 20.240 0.000 A 29 THR N N 15 119.413 0.300 A 30 VAL H H 1 8.764 0.020 A 30 VAL HA H 1 4.164 0.020 A 30 VAL HB H 1 1.891 0.020 A 30 VAL HGx% H 1 0.730 0.000 A 30 VAL HGy% H 1 0.826 0.000 A 30 VAL C C 13 179.070 0.000 A 30 VAL CA C 13 61.618 0.300 A 30 VAL CB C 13 34.652 0.300 A 30 VAL CGx C 13 20.846 0.000 A 30 VAL CGy C 13 21.000 0.000 A 30 VAL N N 15 125.014 0.300 A 31 ASP H H 1 9.667 0.020 A 31 ASP HA H 1 4.245 0.020 A 31 ASP HBy H 1 3.005 0.020 A 31 ASP HBx H 1 2.511 0.020 A 31 ASP C C 13 177.230 0.000 A 31 ASP CA C 13 55.700 0.300 A 31 ASP CB C 13 39.072 0.300 A 31 ASP N N 15 130.278 0.300 A 32 ARG H H 1 8.459 0.020 A 32 ARG HA H 1 3.587 0.020 A 32 ARG HBx H 1 2.081 0.020 A 32 ARG HBy H 1 2.081 0.020 A 32 ARG HGy H 1 1.960 0.000 A 32 ARG HGx H 1 1.535 0.000 A 32 ARG C C 13 177.140 0.000 A 32 ARG CA C 13 57.711 0.300 A 32 ARG CB C 13 27.867 0.300 A 32 ARG CG C 13 27.674 0.000 A 32 ARG N N 15 107.534 0.300 A 33 LYS H H 1 7.827 0.020 A 33 LYS HA H 1 4.334 0.020 A 33 LYS HBx H 1 1.504 0.020 A 33 LYS HBy H 1 1.575 0.020 A 33 LYS HEy H 1 2.679 0.000 A 33 LYS HEx H 1 2.380 0.000 A 33 LYS HGx H 1 0.372 0.000 A 33 LYS HGy H 1 1.145 0.000 A 33 LYS C C 13 175.970 0.000 A 33 LYS CA C 13 55.218 0.300 A 33 LYS CB C 13 33.710 0.300 A 33 LYS CD C 13 28.540 0.000 A 33 LYS CE C 13 42.241 0.000 A 33 LYS CG C 13 24.790 0.000 A 33 LYS N N 15 122.407 0.300 A 34 VAL H H 1 8.060 0.020 A 34 VAL HA H 1 4.334 0.020 A 34 VAL HB H 1 1.764 0.020 A 34 VAL HGx% H 1 0.739 0.000 A 34 VAL HGy% H 1 0.847 0.000 A 34 VAL C C 13 178.150 0.000 A 34 VAL CA C 13 61.705 0.300 A 34 VAL CB C 13 31.970 0.300 A 34 VAL CGy C 13 20.785 0.000 A 34 VAL CGx C 13 20.650 0.000 A 34 VAL N N 15 123.421 0.300 A 35 TYR H H 1 9.298 0.020 A 35 TYR HA H 1 4.422 0.020 A 35 TYR HBy H 1 2.688 0.020 A 35 TYR HBx H 1 2.372 0.020 A 35 TYR HDx H 1 6.500 0.000 A 35 TYR HDy H 1 6.500 0.000 A 35 TYR HEx H 1 5.642 0.000 A 35 TYR HEy H 1 5.642 0.000 A 35 TYR C C 13 177.630 0.000 A 35 TYR CA C 13 56.275 0.300 A 35 TYR CB C 13 40.667 0.300 A 35 TYR CDx C 13 133.108 0.300 A 35 TYR CEx C 13 116.656 0.000 A 35 TYR N N 15 125.787 0.300 A 36 LYS H H 1 7.906 0.020 A 36 LYS HA H 1 4.574 0.020 A 36 LYS HBy H 1 1.549 0.020 A 36 LYS HBx H 1 0.701 0.020 A 36 LYS HDy H 1 1.434 0.000 A 36 LYS HDx H 1 1.344 0.000 A 36 LYS HEx H 1 2.719 0.000 A 36 LYS HEy H 1 2.789 0.000 A 36 LYS HGy H 1 1.324 0.000 A 36 LYS HGx H 1 1.177 0.000 A 36 LYS C C 13 178.890 0.000 A 36 LYS CA C 13 55.665 0.300 A 36 LYS CB C 13 32.550 0.300 A 36 LYS CD C 13 29.150 0.000 A 36 LYS CE C 13 41.597 0.000 A 36 LYS CG C 13 25.136 0.000 A 36 LYS N N 15 120.186 0.300 A 37 THR H H 1 8.440 0.020 A 37 THR HA H 1 5.156 0.020 A 37 THR HB H 1 4.460 0.020 A 37 THR HG2% H 1 0.907 0.000 A 37 THR C C 13 176.370 0.000 A 37 THR CA C 13 61.792 0.300 A 37 THR CB C 13 71.756 0.300 A 37 THR CG2 C 13 20.866 0.000 A 37 THR N N 15 110.287 0.300 A 38 ILE H H 1 9.401 0.020 A 38 ILE HA H 1 4.783 0.020 A 38 ILE HB H 1 1.878 0.020 A 38 ILE HD1% H 1 0.990 0.000 A 38 ILE HG1y H 1 1.778 0.000 A 38 ILE HG1x H 1 1.201 0.000 A 38 ILE HG2% H 1 1.040 0.000 A 38 ILE C C 13 177.080 0.000 A 38 ILE CA C 13 60.805 0.300 A 38 ILE CB C 13 41.826 0.300 A 38 ILE CD1 C 13 14.980 0.000 A 38 ILE CG1 C 13 27.650 0.000 A 38 ILE CG2 C 13 18.700 0.000 A 38 ILE N N 15 114.536 0.300 A 39 CYS H H 1 7.764 0.020 A 39 CYS HA H 1 5.792 0.020 A 39 CYS HBy H 1 3.232 0.020 A 39 CYS HBx H 1 2.974 0.020 A 39 CYS C C 13 175.080 0.000 A 39 CYS CA C 13 55.770 0.300 A 39 CYS CB C 13 30.811 0.300 A 39 CYS N N 15 109.080 0.300 A 40 LYS H H 1 9.608 0.020 A 40 LYS HA H 1 5.688 0.020 A 40 LYS HBy H 1 1.576 0.020 A 40 LYS HBx H 1 1.437 0.020 A 40 LYS HDy H 1 1.579 0.000 A 40 LYS HDx H 1 1.395 0.000 A 40 LYS HEx H 1 2.163 0.000 A 40 LYS HEy H 1 2.838 0.000 A 40 LYS HGx H 1 0.662 0.000 A 40 LYS HGy H 1 1.062 0.000 A 40 LYS C C 13 176.770 0.000 A 40 LYS CA C 13 54.910 0.300 A 40 LYS CB C 13 37.551 0.300 A 40 LYS CD C 13 29.418 0.000 A 40 LYS CE C 13 41.560 0.000 A 40 LYS CG C 13 23.873 0.000 A 40 LYS N N 15 120.427 0.300 A 41 ARG H H 1 8.570 0.020 A 41 ARG HA H 1 4.202 0.020 A 41 ARG HBy H 1 0.092 0.020 A 41 ARG HBx H 1 -0.025 0.020 A 41 ARG HDx H 1 1.800 0.000 A 41 ARG HDy H 1 2.476 0.000 A 41 ARG HGx H 1 0.708 0.000 A 41 ARG HGy H 1 1.177 0.000 A 41 ARG C C 13 179.010 0.000 A 41 ARG CA C 13 55.752 0.300 A 41 ARG CB C 13 29.530 0.300 A 41 ARG CD C 13 42.866 0.000 A 41 ARG CG C 13 24.942 0.000 A 41 ARG N N 15 126.222 0.300 A 42 GLY H H 1 9.154 0.020 A 42 GLY HAy H 1 3.840 0.020 A 42 GLY HAx H 1 3.543 0.020 A 42 GLY C C 13 176.620 0.000 A 42 GLY CA C 13 46.816 0.300 A 42 GLY N N 15 118.592 0.300 A 43 ASN H H 1 8.714 0.020 A 43 ASN HA H 1 4.861 0.020 A 43 ASN HBy H 1 2.987 0.020 A 43 ASN HBx H 1 2.677 0.020 A 43 ASN HD2y H 1 7.579 0.000 A 43 ASN HD2x H 1 6.945 0.000 A 43 ASN C C 13 176.370 0.000 A 43 ASN CA C 13 52.139 0.300 A 43 ASN CB C 13 38.788 0.300 A 43 ASN N N 15 123.806 0.300 A 43 ASN ND2 N 15 111.500 0.000 A 44 THR H H 1 8.132 0.020 A 44 THR HA H 1 5.171 0.020 A 44 THR HB H 1 4.111 0.020 A 44 THR HG2% H 1 1.571 0.000 A 44 THR C C 13 175.390 0.000 A 44 THR CA C 13 62.228 0.300 A 44 THR CB C 13 70.596 0.300 A 44 THR CG2 C 13 22.047 0.000 A 44 THR N N 15 116.682 0.300 A 45 TYR H H 1 9.484 0.020 A 45 TYR HA H 1 5.455 0.020 A 45 TYR HBy H 1 2.828 0.020 A 45 TYR HBx H 1 2.727 0.020 A 45 TYR HDx H 1 7.051 0.000 A 45 TYR HDy H 1 7.051 0.000 A 45 TYR HEx H 1 6.731 0.000 A 45 TYR HEy H 1 6.731 0.000 A 45 TYR C C 13 178.490 0.000 A 45 TYR CA C 13 55.800 0.300 A 45 TYR CB C 13 41.137 0.300 A 45 TYR CDx C 13 132.984 0.000 A 45 TYR CEx C 13 117.530 0.000 A 45 TYR N N 15 122.700 0.300 A 46 LEU H H 1 9.547 0.020 A 46 LEU HA H 1 5.585 0.020 A 46 LEU HBy H 1 2.121 0.020 A 46 LEU HBx H 1 1.410 0.020 A 46 LEU HDx% H 1 0.782 0.000 A 46 LEU HDy% H 1 0.762 0.000 A 46 LEU HG H 1 1.699 0.000 A 46 LEU C C 13 179.710 0.000 A 46 LEU CA C 13 54.271 0.300 A 46 LEU CB C 13 42.768 0.300 A 46 LEU CDy C 13 25.380 0.000 A 46 LEU CDx C 13 24.420 0.000 A 46 LEU CG C 13 27.772 0.000 A 46 LEU N N 15 126.258 0.300 A 47 CYS H H 1 9.822 0.020 A 47 CYS HA H 1 5.921 0.020 A 47 CYS HBy H 1 2.974 0.020 A 47 CYS HBx H 1 2.509 0.020 A 47 CYS C C 13 175.200 0.000 A 47 CYS CA C 13 57.076 0.300 A 47 CYS CB C 13 33.782 0.300 A 47 CYS N N 15 122.262 0.300 A 48 PHE H H 1 9.402 0.020 A 48 PHE HA H 1 6.179 0.020 A 48 PHE HBy H 1 3.413 0.020 A 48 PHE HBx H 1 3.116 0.020 A 48 PHE HDx H 1 7.179 0.020 A 48 PHE HDy H 1 7.179 0.020 A 48 PHE HEx H 1 7.223 0.000 A 48 PHE HEy H 1 7.223 0.000 A 48 PHE HZ H 1 7.320 0.000 A 48 PHE C C 13 176.580 0.000 A 48 PHE CA C 13 55.897 0.300 A 48 PHE CB C 13 42.260 0.300 A 48 PHE CDx C 13 132.389 0.300 A 48 PHE CEx C 13 130.911 0.000 A 48 PHE CZ C 13 129.885 0.000 A 48 PHE N N 15 115.164 0.300 A 49 ASP H H 1 8.804 0.020 A 49 ASP HA H 1 4.770 0.020 A 49 ASP HBy H 1 3.413 0.020 A 49 ASP HBx H 1 2.612 0.020 A 49 ASP C C 13 178.240 0.000 A 49 ASP CA C 13 52.400 0.300 A 49 ASP CB C 13 41.607 0.300 A 49 ASP N N 15 120.813 0.300 A 50 ASP H H 1 8.070 0.020 A 50 ASP HA H 1 4.525 0.020 A 50 ASP HBy H 1 2.841 0.020 A 50 ASP HBx H 1 2.755 0.020 A 50 ASP C C 13 180.050 0.000 A 50 ASP CA C 13 57.146 0.300 A 50 ASP CB C 13 40.596 0.300 A 50 ASP N N 15 111.784 0.300 A 51 THR H H 1 8.372 0.020 A 51 THR HA H 1 4.590 0.020 A 51 THR HB H 1 4.253 0.020 A 51 THR HG2% H 1 1.160 0.000 A 51 THR C C 13 176.650 0.000 A 51 THR CA C 13 62.344 0.300 A 51 THR CB C 13 71.321 0.300 A 51 THR CG2 C 13 21.038 0.000 A 51 THR N N 15 105.893 0.300 A 52 ASN H H 1 9.180 0.020 A 52 ASN HA H 1 5.081 0.020 A 52 ASN HBy H 1 2.353 0.020 A 52 ASN HBx H 1 2.198 0.020 A 52 ASN HD2y H 1 7.579 0.000 A 52 ASN HD2x H 1 7.106 0.000 A 52 ASN C C 13 174.400 0.000 A 52 ASN CA C 13 52.920 0.300 A 52 ASN CB C 13 43.348 0.300 A 52 ASN N N 15 120.186 0.300 A 52 ASN ND2 N 15 113.557 0.000 A 53 LEU H H 1 8.359 0.020 A 53 LEU HA H 1 5.378 0.020 A 53 LEU HBy H 1 1.526 0.020 A 53 LEU HBx H 1 1.324 0.020 A 53 LEU HDx% H 1 0.314 0.000 A 53 LEU HDy% H 1 0.913 0.000 A 53 LEU HG H 1 1.363 0.000 A 53 LEU C C 13 177.930 0.000 A 53 LEU CA C 13 53.253 0.300 A 53 LEU CB C 13 45.008 0.300 A 53 LEU CDy C 13 26.882 0.000 A 53 LEU CDx C 13 24.518 0.000 A 53 LEU CG C 13 26.795 0.000 A 53 LEU N N 15 116.806 0.300 A 54 TYR H H 1 8.885 0.020 A 54 TYR HA H 1 5.294 0.020 A 54 TYR HBy H 1 2.490 0.020 A 54 TYR HBx H 1 2.025 0.020 A 54 TYR HDx H 1 6.593 0.020 A 54 TYR HDy H 1 6.593 0.020 A 54 TYR HEx H 1 6.681 0.000 A 54 TYR HEy H 1 6.681 0.000 A 54 TYR C C 13 177.590 0.000 A 54 TYR CA C 13 55.578 0.300 A 54 TYR CB C 13 43.420 0.300 A 54 TYR CDx C 13 132.800 0.300 A 54 TYR CEx C 13 117.862 0.000 A 54 TYR N N 15 114.005 0.300 A 55 ALA H H 1 8.969 0.020 A 55 ALA HA H 1 5.543 0.020 A 55 ALA HB% H 1 1.115 0.020 A 55 ALA C C 13 179.390 0.000 A 55 ALA CA C 13 50.505 0.300 A 55 ALA CB C 13 19.975 0.300 A 55 ALA N N 15 122.359 0.300 A 56 ILE H H 1 9.552 0.020 A 56 ILE HA H 1 4.964 0.020 A 56 ILE HB H 1 1.662 0.020 A 56 ILE HD1% H 1 -0.223 0.000 A 56 ILE HG1y H 1 1.140 0.000 A 56 ILE HG1x H 1 0.613 0.000 A 56 ILE HG2% H 1 0.611 0.000 A 56 ILE C C 13 177.850 0.000 A 56 ILE CA C 13 60.921 0.300 A 56 ILE CB C 13 39.797 0.300 A 56 ILE CD1 C 13 11.607 0.000 A 56 ILE CG1 C 13 27.940 0.000 A 56 ILE CG2 C 13 16.654 0.000 A 56 ILE N N 15 124.628 0.300 A 57 THR H H 1 8.594 0.020 A 57 THR HA H 1 4.901 0.020 A 57 THR HB H 1 4.033 0.020 A 57 THR HG2% H 1 1.140 0.000 A 57 THR C C 13 178.360 0.000 A 57 THR CA C 13 60.100 0.300 A 57 THR CB C 13 70.350 0.300 A 57 THR CG2 C 13 20.455 0.000 A 57 THR N N 15 124.242 0.300 A 58 GLY H H 1 9.604 0.020 A 58 GLY HAy H 1 3.971 0.020 A 58 GLY HAx H 1 3.638 0.020 A 58 GLY C C 13 173.740 0.000 A 58 GLY CA C 13 47.243 0.300 A 58 GLY N N 15 118.737 0.300 A 59 ASP H H 1 8.460 0.020 A 59 ASP HA H 1 4.650 0.020 A 59 ASP HBx H 1 2.712 0.020 A 59 ASP HBy H 1 2.712 0.020 A 59 ASP C C 13 177.720 0.000 A 59 ASP CA C 13 53.167 0.300 A 59 ASP CB C 13 40.304 0.300 A 59 ASP N N 15 124.120 0.300 A 60 VAL H H 1 8.043 0.020 A 60 VAL HA H 1 3.909 0.020 A 60 VAL HB H 1 2.268 0.020 A 60 VAL HGx% H 1 0.856 0.000 A 60 VAL HGy% H 1 0.998 0.000 A 60 VAL C C 13 177.120 0.000 A 60 VAL CA C 13 62.987 0.300 A 60 VAL CB C 13 31.772 0.300 A 60 VAL CGx C 13 20.807 0.000 A 60 VAL CGy C 13 21.113 0.000 A 60 VAL N N 15 120.717 0.300 A 61 VAL H H 1 8.356 0.020 A 61 VAL HA H 1 4.194 0.020 A 61 VAL HB H 1 1.880 0.020 A 61 VAL HGx% H 1 1.664 0.000 A 61 VAL HGy% H 1 0.602 0.000 A 61 VAL C C 13 177.550 0.000 A 61 VAL CA C 13 61.262 0.300 A 61 VAL CB C 13 33.002 0.300 A 61 VAL CGy C 13 22.534 0.000 A 61 VAL CGx C 13 20.800 0.000 A 61 VAL N N 15 126.415 0.300 A 62 LEU H H 1 8.869 0.020 A 62 LEU HA H 1 4.466 0.020 A 62 LEU HBy H 1 1.445 0.020 A 62 LEU HBx H 1 1.221 0.020 A 62 LEU HDx% H 1 0.709 0.000 A 62 LEU HDy% H 1 0.878 0.000 A 62 LEU HG H 1 0.536 0.000 A 62 LEU C C 13 176.650 0.000 A 62 LEU CA C 13 53.167 0.300 A 62 LEU CB C 13 43.203 0.300 A 62 LEU CDx C 13 23.640 0.000 A 62 LEU CDy C 13 26.425 0.000 A 62 LEU CG C 13 24.526 0.000 A 62 LEU N N 15 130.471 0.300 A 63 LYS H H 1 8.500 0.020 A 63 LYS HA H 1 4.067 0.020 A 63 LYS HBx H 1 1.480 0.020 A 63 LYS HBy H 1 1.602 0.020 A 63 LYS HDy H 1 1.444 0.000 A 63 LYS HDx H 1 1.364 0.000 A 63 LYS HEx H 1 2.794 0.000 A 63 LYS HEy H 1 2.971 0.000 A 63 LYS HGy H 1 1.076 0.000 A 63 LYS HGx H 1 0.372 0.000 A 63 LYS C C 13 178.520 0.000 A 63 LYS CA C 13 54.917 0.300 A 63 LYS CB C 13 33.658 0.300 A 63 LYS CD C 13 28.570 0.000 A 63 LYS CE C 13 41.300 0.000 A 63 LYS CG C 13 24.700 0.000 A 63 LYS N N 15 125.159 0.300 A 64 PHE H H 1 8.202 0.020 A 64 PHE HA H 1 4.552 0.020 A 64 PHE HBy H 1 2.930 0.020 A 64 PHE HBx H 1 2.457 0.020 A 64 PHE HDx H 1 6.742 0.020 A 64 PHE HDy H 1 6.742 0.020 A 64 PHE HEx H 1 6.853 0.000 A 64 PHE HEy H 1 6.853 0.000 A 64 PHE HZ H 1 5.813 0.000 A 64 PHE C C 13 179.690 0.000 A 64 PHE CA C 13 57.407 0.300 A 64 PHE CB C 13 38.716 0.300 A 64 PHE CDx C 13 130.557 0.300 A 64 PHE CEx C 13 130.259 0.000 A 64 PHE CZ C 13 128.987 0.000 A 64 PHE N N 15 124.918 0.300 A 65 ALA H H 1 9.539 0.020 A 65 ALA HA H 1 4.056 0.000 A 65 ALA HB% H 1 1.532 0.000 A 65 ALA CA C 13 54.338 0.300 A 65 ALA CB C 13 19.506 0.300 A 65 ALA N N 15 126.077 0.300 A 66 THR H H 1 6.960 0.020 A 66 THR HA H 1 4.743 0.020 A 66 THR HB H 1 4.639 0.020 A 66 THR HG2% H 1 1.188 0.000 A 66 THR C C 13 177.180 0.000 A 66 THR CA C 13 57.522 0.300 A 66 THR CB C 13 72.770 0.300 A 66 THR CG2 C 13 21.672 0.000 A 66 THR N N 15 99.328 0.300 A 67 VAL H H 1 8.786 0.020 A 67 VAL HA H 1 3.257 0.020 A 67 VAL HB H 1 1.885 0.020 A 67 VAL HGx% H 1 0.828 0.000 A 67 VAL HGy% H 1 0.686 0.000 A 67 VAL C C 13 180.370 0.000 A 67 VAL CA C 13 65.668 0.300 A 67 VAL CB C 13 30.594 0.300 A 67 VAL CGy C 13 22.207 0.000 A 67 VAL CGx C 13 21.278 0.000 A 67 VAL N N 15 119.769 0.300 A 68 SER H H 1 8.233 0.020 A 68 SER HA H 1 3.855 0.000 A 68 SER C C 13 180.270 0.000 A 68 SER CA C 13 61.415 0.300 A 68 SER CB C 13 40.380 0.300 A 68 SER N N 15 113.169 0.300 A 69 LYS H H 1 7.581 0.020 A 69 LYS HA H 1 4.094 0.020 A 69 LYS HBx H 1 2.019 0.020 A 69 LYS HBy H 1 2.019 0.020 A 69 LYS HDy H 1 2.002 0.000 A 69 LYS HDx H 1 1.626 0.000 A 69 LYS HEy H 1 3.067 0.000 A 69 LYS HEx H 1 2.704 0.000 A 69 LYS HGx H 1 1.676 0.000 A 69 LYS HGy H 1 1.818 0.000 A 69 LYS C C 13 181.200 0.000 A 69 LYS CA C 13 57.988 0.300 A 69 LYS CB C 13 31.845 0.300 A 69 LYS CD C 13 28.470 0.000 A 69 LYS CE C 13 41.740 0.000 A 69 LYS CG C 13 25.101 0.000 A 69 LYS N N 15 120.462 0.300 A 70 ALA H H 1 6.988 0.020 A 70 ALA HA H 1 2.304 0.020 A 70 ALA HB% H 1 0.613 0.020 A 70 ALA C C 13 180.860 0.000 A 70 ALA CA C 13 54.073 0.300 A 70 ALA CB C 13 18.854 0.300 A 70 ALA N N 15 123.070 0.300 A 71 ARG H H 1 8.214 0.020 A 71 ARG HA H 1 3.797 0.020 A 71 ARG HBx H 1 1.655 0.000 A 71 ARG HBy H 1 1.835 0.020 A 71 ARG HDy H 1 3.201 0.000 A 71 ARG HE H 1 7.514 0.000 A 71 ARG C C 13 180.820 0.000 A 71 ARG CA C 13 58.888 0.300 A 71 ARG CB C 13 28.854 0.300 A 71 ARG CD C 13 42.451 0.000 A 71 ARG CG C 13 26.930 0.000 A 71 ARG N N 15 115.404 0.300 A 71 ARG NE N 15 85.199 0.000 A 72 ALA H H 1 7.639 0.020 A 72 ALA HA H 1 4.104 0.020 A 72 ALA HB% H 1 1.431 0.020 A 72 ALA C C 13 171.830 0.000 A 72 ALA CA C 13 54.358 0.300 A 72 ALA CB C 13 17.477 0.300 A 72 ALA N N 15 118.385 0.300 A 73 TYR H H 1 7.493 0.020 A 73 TYR HA H 1 4.099 0.020 A 73 TYR HBy H 1 2.974 0.000 A 73 TYR HBx H 1 2.926 0.020 A 73 TYR HDx H 1 7.089 0.020 A 73 TYR HDy H 1 7.089 0.020 A 73 TYR HEx H 1 6.964 0.000 A 73 TYR HEy H 1 6.964 0.000 A 73 TYR C C 13 170.710 0.000 A 73 TYR CA C 13 61.103 0.300 A 73 TYR CB C 13 38.782 0.300 A 73 TYR CDx C 13 133.063 0.300 A 73 TYR CEx C 13 118.257 0.000 A 73 TYR N N 15 118.971 0.300 A 74 LEU H H 1 7.828 0.020 A 74 LEU HA H 1 3.923 0.020 A 74 LEU HBy H 1 1.713 0.020 A 74 LEU HBx H 1 1.478 0.020 A 74 LEU HDx% H 1 -0.053 0.000 A 74 LEU HDy% H 1 0.251 0.000 A 74 LEU CA C 13 57.088 0.300 A 74 LEU CB C 13 42.478 0.300 A 74 LEU CDx C 13 22.857 0.000 A 74 LEU CDy C 13 24.862 0.000 A 74 LEU N N 15 116.948 0.300 A 75 GLU H H 1 7.511 0.020 A 75 GLU HA H 1 4.240 0.020 A 75 GLU HBy H 1 2.189 0.020 A 75 GLU HBx H 1 2.001 0.020 A 75 GLU HGx H 1 2.223 0.000 A 75 GLU HGy H 1 2.445 0.000 A 75 GLU C C 13 178.970 0.000 A 75 GLU CA C 13 56.523 0.300 A 75 GLU CB C 13 29.819 0.300 A 75 GLU CG C 13 36.180 0.000 A 75 GLU N N 15 113.807 0.300 A 76 THR H H 1 7.651 0.020 A 76 THR HA H 1 4.312 0.020 A 76 THR HB H 1 4.240 0.020 A 76 THR HG2% H 1 1.261 0.000 A 76 THR C C 13 176.070 0.000 A 76 THR CA C 13 62.500 0.300 A 76 THR CB C 13 70.016 0.300 A 76 THR CG2 C 13 20.918 0.000 A 76 THR N N 15 114.352 0.300 A 77 LYS H H 1 8.174 0.020 A 77 LYS HA H 1 4.087 0.020 A 77 LYS HBy H 1 1.670 0.020 A 77 LYS HBx H 1 1.382 0.020 A 77 LYS HDy H 1 1.886 0.000 A 77 LYS HDx H 1 1.766 0.000 A 77 LYS HEx H 1 2.973 0.000 A 77 LYS HEy H 1 3.202 0.000 A 77 LYS CA C 13 57.611 0.300 A 77 LYS CB C 13 33.041 0.300 A 77 LYS CD C 13 33.139 0.000 A 77 LYS CE C 13 41.038 0.000 A 77 LYS N N 15 129.032 0.300 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 54 TYR HA A 62 LEU H 1.0 . 5.50 2 2 A 62 LEU H A 56 ILE H 1.0 . 5.50 3 3 A 62 LEU H A 54 TYR HD% 1.0 . 5.50 4 4 A 62 LEU H A 55 ALA HA 1.0 . 5.50 5 5 A 62 LEU H A 56 ILE HA 1.0 . 4.45 6 6 A 62 LEU H A 54 TYR HBy 1.0 . 5.40 7 7 A 62 LEU H A 54 TYR HBx 1.0 . 5.50 8 8 A 62 LEU H A 62 LEU HBx 1.0 . 3.89 9 9 A 62 LEU H A 62 LEU HDy% 1.0 . 4.97 10 10 A 31 ASP H A 35 TYR HE% 1.0 . 5.50 11 11 A 31 ASP H A 30 VAL HB 1.0 . 5.22 12 12 A 31 ASP H A 32 ARG HGx 1.0 . 5.50 13 13 A 21 TRP HE1 A 75 GLU HA 1.0 . 5.50 14 14 A 21 TRP HE1 A 41 ARG HDy 1.0 . 5.28 15 15 A 21 TRP HE1 A 19 ARG HBx 1.0 . 4.87 16 16 A 21 TRP HE1 A 74 LEU HBy 1.0 . 5.16 17 17 A 21 TRP HE1 A 41 ARG HGy 1.0 . 5.50 18 18 A 21 TRP HE1 A 74 LEU HDy% 1.0 . 5.45 19 19 A 21 TRP HE1 A 41 ARG HBy 1.0 . 5.50 20 20 A 21 TRP HE1 A 74 LEU HDx% 1.0 . 4.90 21 21 A 22 ASP HA A 24 LEU H 1.0 . 5.50 22 22 A 24 LEU H A 38 ILE H 1.0 . 5.50 23 23 A 24 LEU H A 40 LYS H 1.0 . 4.35 24 24 A 24 LEU H A 25 GLN H 1.0 . 4.56 25 25 A 24 LEU H A 39 CYS HBy 1.0 . 4.13 26 26 A 24 LEU H A 39 CYS HBx 1.0 . 4.32 27 27 A 24 LEU H A 23 VAL HB 1.0 . 4.53 28 28 A 24 LEU H A 24 LEU HBx 1.0 . 3.33 29 29 A 24 LEU H A 23 VAL HGx% 1.0 . 5.50 30 30 A 24 LEU H A 38 ILE HA 1.0 . 5.50 31 31 A 24 LEU H A 23 VAL HA 1.0 . 2.99 32 32 A 77 LYS H A 77 LYS HBy 1.0 . 3.23 33 33 A 77 LYS H A 76 THR H 1.0 . 3.72 34 34 A 77 LYS H A 77 LYS HDx 1.0 . 3.89 35 35 A 60 VAL H A 61 VAL H 1.0 . 4.64 36 36 A 61 VAL H A 59 ASP HBx 1.0 . 5.50 37 36 A 61 VAL H A 59 ASP HBy 1.0 . 5.50 38 37 A 61 VAL H A 60 VAL HB 1.0 . 4.67 39 38 A 61 VAL H A 61 VAL HB 1.0 . 3.40 40 39 A 61 VAL H A 56 ILE HG1y 1.0 . 5.50 41 40 A 61 VAL H A 60 VAL HGy% 1.0 . 4.33 42 41 A 61 VAL H A 60 VAL HGx% 1.0 . 3.78 43 42 A 61 VAL H A 56 ILE HD1% 1.0 . 5.50 44 43 A 62 LEU H A 61 VAL H 1.0 . 4.98 45 44 A 56 ILE HA A 61 VAL H 1.0 . 5.50 46 45 A 61 VAL H A 59 ASP HA 1.0 . 5.50 47 46 A 61 VAL H A 62 LEU HA 1.0 . 5.50 48 47 A 41 ARG H A 43 ASN H 1.0 . 5.43 49 48 A 41 ARG H A 42 GLY HAy 1.0 . 5.50 50 49 A 40 LYS H A 41 ARG H 1.0 . 4.72 51 50 A 41 ARG H A 42 GLY H 1.0 . 5.20 52 51 A 41 ARG H A 44 THR H 1.0 . 4.09 53 52 A 41 ARG H A 21 TRP HE3 1.0 . 4.27 54 53 A 41 ARG H A 21 TRP HZ3 1.0 . 4.21 55 54 A 41 ARG H A 21 TRP HA 1.0 . 5.50 56 55 A 41 ARG H A 42 GLY HAx 1.0 . 5.50 57 56 A 41 ARG H A 41 ARG HDx 1.0 . 5.50 58 57 A 41 ARG H A 44 THR HG2% 1.0 . 4.51 59 58 A 41 ARG H A 40 LYS HBx 1.0 . 4.06 60 59 A 41 ARG H A 40 LYS HGy 1.0 . 4.35 61 60 A 41 ARG H A 41 ARG HBx 1.0 . 4.09 62 61 A 41 ARG H A 44 THR HA 1.0 . 5.50 63 62 A 41 ARG HDy A 41 ARG H 1.0 . 5.50 64 63 A 37 THR HA A 46 LEU H 1.0 . 5.50 65 64 A 39 CYS HBy A 46 LEU H 1.0 . 5.50 66 65 A 74 LEU HDx% A 46 LEU H 1.0 . 5.50 67 66 A 46 LEU H A 47 CYS H 1.0 . 5.46 68 67 A 41 ARG H A 46 LEU H 1.0 . 5.15 69 68 A 21 TRP HZ3 A 46 LEU H 1.0 . 4.38 70 69 A 46 LEU H A 40 LYS HA 1.0 . 4.32 71 70 A 46 LEU H A 37 THR HB 1.0 . 5.50 72 71 A 46 LEU H A 45 TYR HBx 1.0 . 4.18 73 72 A 46 LEU H A 46 LEU HBy 1.0 . 3.97 74 73 A 46 LEU H A 46 LEU HBx 1.0 . 3.88 75 74 A 46 LEU H A 46 LEU HDx% 1.0 . 5.30 76 75 A 34 VAL HGy% A 35 TYR H 1.0 . 4.49 77 76 A 56 ILE HD1% A 35 TYR H 1.0 . 5.50 78 77 A 35 TYR HE% A 35 TYR H 1.0 . 5.00 79 78 A 35 TYR H A 28 CYS HA 1.0 . 5.50 80 79 A 35 TYR H A 47 CYS HBy 1.0 . 5.50 81 80 A 35 TYR H A 35 TYR HBy 1.0 . 3.94 82 81 A 35 TYR H A 28 CYS HBy 1.0 . 5.15 83 82 A 35 TYR H A 35 TYR HBx 1.0 . 4.12 84 83 A 35 TYR H A 27 THR HG2% 1.0 . 5.50 85 84 A 25 GLN H A 26 THR HB 1.0 . 5.23 86 85 A 25 GLN H A 25 GLN HGy 1.0 . 4.55 87 86 A 25 GLN H A 25 GLN HBy 1.0 . 3.61 88 87 A 25 GLN H A 24 LEU HDx% 1.0 . 4.19 89 88 A 31 ASP H A 30 VAL H 1.0 . 4.84 90 89 A 35 TYR H A 30 VAL H 1.0 . 4.81 91 90 A 30 VAL H A 34 VAL HA 1.0 . 3.99 92 91 A 30 VAL H A 29 THR HB 1.0 . 4.47 93 92 A 30 VAL H A 32 ARG HA 1.0 . 5.50 94 93 A 30 VAL H A 31 ASP HBy 1.0 . 5.50 95 94 A 35 TYR HBy A 30 VAL H 1.0 . 5.50 96 95 A 30 VAL HB A 30 VAL H 1.0 . 3.79 97 96 A 30 VAL H A 34 VAL HB 1.0 . 5.50 98 97 A 30 VAL H A 33 LYS HBy 1.0 . 4.64 99 98 A 56 ILE HG1y A 30 VAL H 1.0 . 5.50 100 99 A 30 VAL H A 29 THR HG2% 1.0 . 3.72 101 100 A 30 VAL H A 30 VAL HGx% 1.0 . 4.13 102 101 A 30 VAL H A 56 ILE HG2% 1.0 . 5.50 103 102 A 56 ILE HD1% A 30 VAL H 1.0 . 5.50 104 103 A 62 LEU H A 63 LYS H 1.0 . 5.23 105 104 A 63 LYS H A 64 PHE H 1.0 . 4.93 106 105 A 54 TYR HD% A 63 LYS H 1.0 . 4.92 107 106 A 63 LYS H A 63 LYS HEx 1.0 . 5.50 108 107 A 54 TYR HBy A 63 LYS H 1.0 . 5.50 109 108 A 63 LYS H A 61 VAL HGx% 1.0 . 3.83 110 109 A 63 LYS H A 63 LYS HBy 1.0 . 3.49 111 110 A 62 LEU HDy% A 63 LYS H 1.0 . 4.96 112 111 A 63 LYS H A 62 LEU HDx% 1.0 . 4.02 113 112 A 63 LYS H A 61 VAL HGy% 1.0 . 4.87 114 113 A 64 PHE H A 65 ALA H 1.0 . 5.50 115 114 A 64 PHE H A 55 ALA H 1.0 . 4.77 116 115 A 64 PHE H A 52 ASN HD2y 1.0 . 5.50 117 116 A 64 PHE H A 66 THR H 1.0 . 5.50 118 117 A 64 PHE H A 64 PHE HD% 1.0 . 3.94 119 118 A 64 PHE H A 63 LYS HA 1.0 . 3.24 120 119 A 64 PHE H A 64 PHE HBy 1.0 . 3.88 121 120 A 64 PHE H A 64 PHE HBx 1.0 . 3.63 122 121 A 64 PHE H A 52 ASN HBx 1.0 . 5.33 123 122 A 64 PHE H A 69 LYS HBx 1.0 . 5.50 124 122 A 64 PHE H A 69 LYS HBy 1.0 . 5.50 125 123 A 64 PHE H A 62 LEU HDx% 1.0 . 4.21 126 124 A 56 ILE H A 61 VAL HA 1.0 . 5.50 127 125 A 56 ILE H A 45 TYR HBx 1.0 . 4.69 128 126 A 56 ILE H A 54 TYR HBy 1.0 . 5.50 129 127 A 56 ILE H A 46 LEU HDx% 1.0 . 5.42 130 128 A 56 ILE H A 56 ILE HG1x 1.0 . 4.07 131 129 A 56 ILE H A 56 ILE HD1% 1.0 . 5.14 132 130 A 23 VAL H A 24 LEU HA 1.0 . 5.50 133 131 A 23 VAL H A 24 LEU HBy 1.0 . 5.50 134 132 A 40 LYS H A 23 VAL H 1.0 . 5.50 135 133 A 23 VAL H A 22 ASP H 1.0 . 4.82 136 134 A 24 LEU H A 23 VAL H 1.0 . 4.88 137 135 A 23 VAL H A 39 CYS HA 1.0 . 5.36 138 136 A 39 CYS HBy A 23 VAL H 1.0 . 5.50 139 137 A 39 CYS HBx A 23 VAL H 1.0 . 5.50 140 138 A 23 VAL HB A 23 VAL H 1.0 . 3.23 141 139 A 23 VAL HGx% A 23 VAL H 1.0 . 5.50 142 140 A 57 THR H A 58 GLY HAx 1.0 . 5.50 143 141 A 60 VAL HGy% A 57 THR H 1.0 . 5.33 144 142 A 56 ILE H A 57 THR H 1.0 . 4.38 145 143 A 62 LEU H A 57 THR H 1.0 . 5.11 146 144 A 56 ILE HA A 57 THR H 1.0 . 3.04 147 145 A 61 VAL HA A 57 THR H 1.0 . 4.32 148 146 A 57 THR H A 57 THR HB 1.0 . 3.74 149 147 A 60 VAL HB A 57 THR H 1.0 . 4.18 150 148 A 57 THR H A 57 THR HG2% 1.0 . 4.29 151 149 A 60 VAL HGx% A 57 THR H 1.0 . 4.97 152 150 A 56 ILE HG2% A 57 THR H 1.0 . 3.72 153 151 A 56 ILE HD1% A 57 THR H 1.0 . 5.45 154 152 A 58 GLY H A 59 ASP H 1.0 . 4.17 155 153 A 59 ASP H A 58 GLY HAy 1.0 . 3.52 156 154 A 58 GLY HAx A 59 ASP H 1.0 . 3.34 157 155 A 59 ASP H A 59 ASP HBx 1.0 . 3.42 158 155 A 59 ASP HBy A 59 ASP H 1.0 . 3.42 159 156 A 60 VAL HB A 59 ASP H 1.0 . 4.65 160 157 A 57 THR HG2% A 59 ASP H 1.0 . 5.50 161 158 A 60 VAL HGy% A 59 ASP H 1.0 . 4.45 162 159 A 60 VAL HGx% A 59 ASP H 1.0 . 5.13 163 160 A 56 ILE HG2% A 59 ASP H 1.0 . 5.50 164 161 A 59 ASP H A 57 THR HA 1.0 . 5.50 165 162 A 57 THR H A 59 ASP H 1.0 . 4.80 166 163 A 43 ASN H A 44 THR HG2% 1.0 . 5.50 167 164 A 43 ASN H A 42 GLY H 1.0 . 4.96 168 165 A 43 ASN H A 44 THR HA 1.0 . 5.50 169 166 A 43 ASN H A 44 THR HB 1.0 . 5.18 170 167 A 43 ASN H A 42 GLY HAy 1.0 . 3.56 171 168 A 43 ASN H A 43 ASN HBx 1.0 . 4.13 172 169 A 43 ASN H A 57 THR HG2% 1.0 . 5.50 173 170 A 35 TYR H A 34 VAL H 1.0 . 4.82 174 171 A 35 TYR HE% A 34 VAL H 1.0 . 5.50 175 172 A 30 VAL H A 34 VAL H 1.0 . 5.50 176 173 A 34 VAL H A 33 LYS H 1.0 . 4.59 177 174 A 34 VAL H A 35 TYR HD% 1.0 . 5.50 178 175 A 34 VAL H A 33 LYS HEy 1.0 . 5.50 179 176 A 34 VAL HB A 34 VAL H 1.0 . 3.21 180 177 A 33 LYS HBy A 34 VAL H 1.0 . 3.93 181 178 A 34 VAL H A 33 LYS HGy 1.0 . 4.00 182 179 A 34 VAL HGy% A 34 VAL H 1.0 . 3.55 183 180 A 67 VAL H A 70 ALA H 1.0 . 5.47 184 181 A 70 ALA H A 71 ARG H 1.0 . 3.29 185 182 A 70 ALA H A 69 LYS H 1.0 . 3.23 186 183 A 70 ALA H A 64 PHE HE% 1.0 . 5.17 187 184 A 64 PHE HD% A 70 ALA H 1.0 . 4.89 188 185 A 70 ALA H A 64 PHE HA 1.0 . 5.50 189 186 A 70 ALA H A 68 SER HA 1.0 . 4.52 190 187 A 70 ALA H A 67 VAL HA 1.0 . 3.83 191 188 A 64 PHE HBy A 70 ALA H 1.0 . 4.04 192 189 A 64 PHE HBx A 70 ALA H 1.0 . 4.52 193 190 A 70 ALA H A 69 LYS HBx 1.0 . 3.45 194 190 A 69 LYS HBy A 70 ALA H 1.0 . 3.45 195 191 A 70 ALA H A 69 LYS HGy 1.0 . 4.71 196 192 A 70 ALA H A 72 ALA HB% 1.0 . 5.37 197 193 A 70 ALA H A 67 VAL HGx% 1.0 . 5.50 198 194 A 70 ALA H A 70 ALA HB% 1.0 . 3.33 199 195 A 70 ALA H A 53 LEU HDx% 1.0 . 5.06 200 196 A 41 ARG H A 45 TYR H 1.0 . 5.50 201 197 A 21 TRP HZ3 A 45 TYR H 1.0 . 5.50 202 198 A 45 TYR H A 45 TYR HE% 1.0 . 5.50 203 199 A 40 LYS HA A 45 TYR H 1.0 . 5.50 204 200 A 45 TYR H A 46 LEU HA 1.0 . 5.05 205 201 A 57 THR HA A 45 TYR H 1.0 . 4.51 206 202 A 44 THR HB A 45 TYR H 1.0 . 4.81 207 203 A 45 TYR HBx A 45 TYR H 1.0 . 3.77 208 204 A 44 THR HG2% A 45 TYR H 1.0 . 4.01 209 205 A 46 LEU HBx A 45 TYR H 1.0 . 5.50 210 206 A 57 THR HG2% A 45 TYR H 1.0 . 5.08 211 207 A 56 ILE HG2% A 45 TYR H 1.0 . 5.50 212 208 A 56 ILE HD1% A 45 TYR H 1.0 . 5.50 213 209 A 5 ALA H A 8 ASP HBx 1.0 . 5.50 214 209 A 5 ALA H A 8 ASP HBy 1.0 . 5.50 215 210 A 5 ALA H A 4 THR HB 1.0 . 3.94 216 211 A 5 ALA H A 6 VAL HB 1.0 . 5.50 217 212 A 5 ALA H A 4 THR HG2% 1.0 . 5.04 218 213 A 67 VAL HGx% A 5 ALA H 1.0 . 5.50 219 214 A 47 CYS H A 55 ALA H 1.0 . 5.50 220 215 A 56 ILE H A 55 ALA H 1.0 . 4.95 221 216 A 63 LYS H A 55 ALA H 1.0 . 5.50 222 217 A 55 ALA H A 64 PHE HE% 1.0 . 4.66 223 218 A 54 TYR HD% A 55 ALA H 1.0 . 4.71 224 219 A 56 ILE HA A 55 ALA H 1.0 . 5.50 225 220 A 62 LEU HA A 55 ALA H 1.0 . 5.50 226 221 A 55 ALA H A 61 VAL HA 1.0 . 5.05 227 222 A 54 TYR HBy A 55 ALA H 1.0 . 3.93 228 223 A 54 TYR HBx A 55 ALA H 1.0 . 4.32 229 224 A 55 ALA H A 62 LEU HBy 1.0 . 4.35 230 225 A 61 VAL HGy% A 55 ALA H 1.0 . 4.87 231 226 A 56 ILE HD1% A 55 ALA H 1.0 . 5.50 232 227 A 31 ASP H A 33 LYS H 1.0 . 4.91 233 228 A 30 VAL H A 33 LYS H 1.0 . 3.68 234 229 A 33 LYS H A 32 ARG H 1.0 . 3.38 235 230 A 33 LYS H A 35 TYR HD% 1.0 . 5.50 236 231 A 33 LYS H A 29 THR HA 1.0 . 4.49 237 232 A 33 LYS HBy A 33 LYS H 1.0 . 3.10 238 233 A 33 LYS H A 33 LYS HGy 1.0 . 4.55 239 234 A 29 THR HG2% A 33 LYS H 1.0 . 3.98 240 235 A 54 TYR HD% A 47 CYS H 1.0 . 5.50 241 236 A 37 THR HA A 47 CYS H 1.0 . 5.50 242 237 A 47 CYS H A 47 CYS HBx 1.0 . 4.19 243 238 A 47 CYS H A 46 LEU HBy 1.0 . 4.79 244 239 A 47 CYS H A 55 ALA HB% 1.0 . 5.50 245 240 A 47 CYS H A 53 LEU HDy% 1.0 . 5.50 246 241 A 56 ILE HD1% A 47 CYS H 1.0 . 5.50 247 242 A 56 ILE H A 47 CYS H 1.0 . 5.43 248 243 A 47 CYS H A 64 PHE HE% 1.0 . 5.50 249 244 A 47 CYS H A 46 LEU HBx 1.0 . 4.86 250 245 A 33 LYS H A 31 ASP HBx 1.0 . 4.88 251 246 A 33 LYS H A 32 ARG HBx 1.0 . 4.58 252 246 A 33 LYS H A 32 ARG HBy 1.0 . 4.58 253 247 A 33 LYS H A 32 ARG HGy 1.0 . 5.39 254 248 A 49 ASP H A 53 LEU HA 1.0 . 4.48 255 249 A 49 ASP H A 52 ASN HA 1.0 . 5.50 256 250 A 49 ASP H A 48 PHE HBy 1.0 . 3.50 257 251 A 49 ASP H A 52 ASN HBy 1.0 . 5.46 258 252 A 45 TYR HE% A 26 THR H 1.0 . 5.50 259 253 A 19 ARG H A 20 ASP H 1.0 . 4.74 260 254 A 19 ARG H A 21 TRP HD1 1.0 . 5.50 261 255 A 19 ARG H A 19 ARG HDx 1.0 . 5.17 262 255 A 19 ARG H A 19 ARG HDy 1.0 . 5.17 263 256 A 19 ARG H A 19 ARG HBy 1.0 . 3.52 264 257 A 19 ARG H A 19 ARG HGy 1.0 . 4.27 265 258 A 19 ARG H A 18 ALA HB% 1.0 . 4.23 266 259 A 19 ARG H A 13 ILE HG2% 1.0 . 5.50 267 260 A 74 LEU HDy% A 19 ARG H 1.0 . 5.50 268 261 A 19 ARG H A 13 ILE HD1% 1.0 . 5.50 269 262 A 74 LEU HDx% A 19 ARG H 1.0 . 5.50 270 263 A 25 GLN H A 26 THR H 1.0 . 4.92 271 264 A 26 THR H A 37 THR H 1.0 . 3.95 272 265 A 24 LEU H A 26 THR H 1.0 . 5.50 273 266 A 26 THR H A 45 TYR HD% 1.0 . 5.50 274 267 A 37 THR HA A 26 THR H 1.0 . 5.28 275 268 A 26 THR H A 25 GLN HA 1.0 . 3.20 276 269 A 25 GLN HBy A 26 THR H 1.0 . 4.65 277 270 A 24 LEU HBx A 26 THR H 1.0 . 4.78 278 271 A 26 THR H A 37 THR HG2% 1.0 . 4.43 279 272 A 60 VAL H A 59 ASP H 1.0 . 3.30 280 273 A 56 ILE HA A 60 VAL H 1.0 . 4.79 281 274 A 60 VAL H A 61 VAL HA 1.0 . 5.50 282 275 A 60 VAL H A 58 GLY HAx 1.0 . 4.45 283 276 A 60 VAL H A 59 ASP HBx 1.0 . 4.17 284 276 A 60 VAL H A 59 ASP HBy 1.0 . 4.17 285 277 A 60 VAL H A 60 VAL HB 1.0 . 3.21 286 278 A 60 VAL H A 61 VAL HB 1.0 . 5.50 287 279 A 60 VAL H A 57 THR HG2% 1.0 . 5.12 288 280 A 60 VAL H A 60 VAL HGx% 1.0 . 4.05 289 281 A 60 VAL H A 56 ILE HG2% 1.0 . 4.58 290 282 A 60 VAL H A 58 GLY H 1.0 . 4.96 291 283 A 60 VAL H A 57 THR H 1.0 . 4.13 292 284 A 7 GLN HA A 9 PHE H 1.0 . 5.50 293 285 A 9 PHE H A 9 PHE HBx 1.0 . 3.86 294 286 A 9 PHE H A 8 ASP HBx 1.0 . 4.41 295 286 A 8 ASP HBy A 9 PHE H 1.0 . 4.41 296 287 A 67 VAL HGx% A 9 PHE H 1.0 . 5.50 297 288 A 9 PHE H A 10 VAL HGy% 1.0 . 5.50 298 289 A 40 LYS H A 22 ASP H 1.0 . 3.96 299 290 A 41 ARG H A 22 ASP H 1.0 . 5.50 300 291 A 22 ASP H A 39 CYS HA 1.0 . 5.03 301 292 A 22 ASP H A 41 ARG HA 1.0 . 4.70 302 293 A 22 ASP H A 21 TRP HBy 1.0 . 4.94 303 294 A 22 ASP H A 21 TRP HBx 1.0 . 4.03 304 295 A 22 ASP H A 22 ASP HBx 1.0 . 3.67 305 295 A 22 ASP H A 22 ASP HBy 1.0 . 3.67 306 296 A 22 ASP H A 40 LYS HBy 1.0 . 5.50 307 297 A 40 LYS HBx A 22 ASP H 1.0 . 5.50 308 298 A 22 ASP H A 41 ARG HGx 1.0 . 5.50 309 299 A 41 ARG HBy A 22 ASP H 1.0 . 5.07 310 300 A 41 ARG HBx A 22 ASP H 1.0 . 5.50 311 301 A 67 VAL H A 69 LYS H 1.0 . 5.03 312 302 A 69 LYS H A 68 SER H 1.0 . 3.91 313 303 A 64 PHE HD% A 69 LYS H 1.0 . 5.22 314 304 A 69 LYS H A 66 THR HA 1.0 . 4.73 315 305 A 69 LYS H A 66 THR HB 1.0 . 4.49 316 306 A 69 LYS H A 69 LYS HBx 1.0 . 3.11 317 306 A 69 LYS HBy A 69 LYS H 1.0 . 3.11 318 307 A 69 LYS H A 69 LYS HGy 1.0 . 4.26 319 308 A 64 PHE HBx A 69 LYS H 1.0 . 5.50 320 309 A 69 LYS H A 70 ALA HA 1.0 . 5.42 321 310 A 40 LYS H A 39 CYS H 1.0 . 5.22 322 311 A 40 LYS H A 21 TRP HZ3 1.0 . 5.39 323 312 A 40 LYS H A 45 TYR HA 1.0 . 5.50 324 313 A 40 LYS H A 21 TRP HA 1.0 . 5.42 325 314 A 40 LYS H A 23 VAL HA 1.0 . 4.32 326 315 A 40 LYS H A 39 CYS HBy 1.0 . 4.04 327 316 A 40 LYS H A 39 CYS HBx 1.0 . 3.73 328 317 A 40 LYS H A 22 ASP HBx 1.0 . 4.70 329 317 A 40 LYS H A 22 ASP HBy 1.0 . 4.70 330 318 A 40 LYS H A 40 LYS HBy 1.0 . 3.86 331 319 A 40 LYS H A 40 LYS HBx 1.0 . 4.08 332 320 A 40 LYS H A 24 LEU HBx 1.0 . 5.08 333 321 A 40 LYS H A 40 LYS HGy 1.0 . 4.45 334 322 A 40 LYS H A 40 LYS HGx 1.0 . 5.27 335 323 A 41 ARG HBy A 40 LYS H 1.0 . 5.50 336 324 A 22 ASP H A 21 TRP H 1.0 . 4.69 337 325 A 69 LYS H A 67 VAL HGx% 1.0 . 5.00 338 326 A 69 LYS H A 53 LEU HDx% 1.0 . 5.34 339 327 A 53 LEU HA A 52 ASN H 1.0 . 5.50 340 328 A 36 LYS H A 48 PHE HA 1.0 . 5.50 341 329 A 36 LYS H A 48 PHE H 1.0 . 4.16 342 330 A 35 TYR H A 36 LYS H 1.0 . 4.79 343 331 A 37 THR H A 36 LYS H 1.0 . 4.86 344 332 A 36 LYS H A 48 PHE HD% 1.0 . 5.19 345 333 A 36 LYS H A 47 CYS HA 1.0 . 5.50 346 334 A 36 LYS H A 27 THR HA 1.0 . 5.50 347 335 A 37 THR HA A 36 LYS H 1.0 . 5.50 348 336 A 36 LYS H A 49 ASP HA 1.0 . 5.50 349 337 A 47 CYS HBy A 36 LYS H 1.0 . 4.97 350 338 A 35 TYR HBy A 36 LYS H 1.0 . 4.39 351 339 A 35 TYR HBx A 36 LYS H 1.0 . 4.05 352 340 A 36 LYS H A 36 LYS HBy 1.0 . 3.70 353 341 A 36 LYS H A 36 LYS HGy 1.0 . 3.95 354 342 A 36 LYS H A 36 LYS HGx 1.0 . 4.36 355 343 A 27 THR HG2% A 36 LYS H 1.0 . 5.50 356 344 A 36 LYS H A 36 LYS HBx 1.0 . 3.50 357 345 A 56 ILE HD1% A 36 LYS H 1.0 . 5.50 358 346 A 69 LYS H A 69 LYS HEx 1.0 . 4.39 359 347 A 49 ASP H A 52 ASN H 1.0 . 4.41 360 348 A 52 ASN HD2y A 52 ASN H 1.0 . 5.29 361 349 A 52 ASN H A 48 PHE HA 1.0 . 5.50 362 350 A 52 ASN H A 49 ASP HA 1.0 . 5.30 363 351 A 52 ASN H A 51 THR HB 1.0 . 4.44 364 352 A 52 ASN H A 49 ASP HBy 1.0 . 5.07 365 353 A 52 ASN H A 50 ASP HBy 1.0 . 5.50 366 354 A 52 ASN HBy A 52 ASN H 1.0 . 3.93 367 355 A 67 VAL HGx% A 52 ASN H 1.0 . 4.80 368 356 A 53 LEU HDx% A 52 ASN H 1.0 . 5.50 369 357 A 67 VAL H A 5 ALA HB% 1.0 . 5.50 370 358 A 67 VAL H A 66 THR HB 1.0 . 3.48 371 359 A 67 VAL H A 68 SER HA 1.0 . 5.26 372 360 A 67 VAL H A 53 LEU HDx% 1.0 . 5.50 373 361 A 35 TYR H A 29 THR H 1.0 . 5.50 374 362 A 29 THR H A 28 CYS H 1.0 . 4.41 375 363 A 30 VAL H A 29 THR H 1.0 . 4.29 376 364 A 35 TYR HD% A 29 THR H 1.0 . 5.50 377 365 A 34 VAL HA A 29 THR H 1.0 . 4.91 378 366 A 29 THR H A 30 VAL HA 1.0 . 5.50 379 367 A 29 THR HB A 29 THR H 1.0 . 3.24 380 368 A 28 CYS HBy A 29 THR H 1.0 . 3.96 381 369 A 29 THR H A 28 CYS HBx 1.0 . 3.94 382 370 A 30 VAL HB A 29 THR H 1.0 . 5.50 383 371 A 29 THR HG2% A 29 THR H 1.0 . 4.24 384 372 A 29 THR H A 34 VAL HGx% 1.0 . 4.87 385 373 A 56 ILE HG2% A 29 THR H 1.0 . 5.50 386 374 A 56 ILE HD1% A 29 THR H 1.0 . 5.50 387 375 A 71 ARG H A 73 TYR H 1.0 . 4.87 388 376 A 73 TYR H A 72 ALA H 1.0 . 3.36 389 377 A 73 TYR H A 73 TYR HD% 1.0 . 4.53 390 378 A 73 TYR H A 64 PHE HZ 1.0 . 5.22 391 379 A 73 TYR H A 74 LEU HA 1.0 . 5.08 392 380 A 73 TYR H A 71 ARG HA 1.0 . 4.85 393 381 A 73 TYR H A 73 TYR HBx 1.0 . 3.11 394 382 A 73 TYR H A 75 GLU HGy 1.0 . 5.50 395 383 A 70 ALA HA A 73 TYR H 1.0 . 3.97 396 384 A 73 TYR H A 69 LYS HBx 1.0 . 5.31 397 384 A 69 LYS HBy A 73 TYR H 1.0 . 5.31 398 385 A 73 TYR H A 71 ARG HBy 1.0 . 4.71 399 386 A 72 ALA HB% A 73 TYR H 1.0 . 3.61 400 387 A 73 TYR H A 46 LEU HDx% 1.0 . 5.50 401 388 A 70 ALA HB% A 73 TYR H 1.0 . 5.25 402 389 A 74 LEU HDy% A 73 TYR H 1.0 . 5.50 403 390 A 74 LEU HDx% A 73 TYR H 1.0 . 5.50 404 391 A 60 VAL HGy% A 58 GLY H 1.0 . 5.50 405 392 A 58 GLY H A 43 ASN HBy 1.0 . 5.50 406 393 A 57 THR H A 58 GLY H 1.0 . 4.98 407 394 A 58 GLY H A 45 TYR HD% 1.0 . 5.50 408 395 A 44 THR HA A 58 GLY H 1.0 . 4.93 409 396 A 44 THR HG2% A 58 GLY H 1.0 . 5.50 410 397 A 57 THR HG2% A 58 GLY H 1.0 . 4.34 411 398 A 42 GLY H A 40 LYS HA 1.0 . 5.50 412 399 A 41 ARG HDy A 42 GLY H 1.0 . 5.50 413 400 A 42 GLY H A 41 ARG HDx 1.0 . 5.50 414 401 A 41 ARG HGy A 42 GLY H 1.0 . 4.97 415 402 A 42 GLY H A 40 LYS HGy 1.0 . 5.50 416 403 A 42 GLY H A 41 ARG HGx 1.0 . 5.50 417 404 A 41 ARG HBy A 42 GLY H 1.0 . 5.18 418 405 A 42 GLY H A 41 ARG HBx 1.0 . 5.31 419 406 A 21 TRP HE1 A 21 TRP H 1.0 . 5.17 420 407 A 20 ASP H A 21 TRP H 1.0 . 3.43 421 408 A 21 TRP HE3 A 21 TRP H 1.0 . 5.50 422 409 A 21 TRP H A 19 ARG HA 1.0 . 4.32 423 410 A 21 TRP HBy A 21 TRP H 1.0 . 3.50 424 411 A 21 TRP HBx A 21 TRP H 1.0 . 3.79 425 412 A 21 TRP H A 20 ASP HBx 1.0 . 4.71 426 413 A 19 ARG HGy A 21 TRP H 1.0 . 5.45 427 414 A 74 LEU HDx% A 21 TRP H 1.0 . 5.50 428 415 A 72 ALA H A 9 PHE HE% 1.0 . 5.50 429 416 A 72 ALA H A 71 ARG HBy 1.0 . 3.27 430 417 A 70 ALA HB% A 72 ALA H 1.0 . 5.13 431 418 A 71 ARG H A 72 ALA H 1.0 . 3.49 432 419 A 72 ALA H A 74 LEU H 1.0 . 4.76 433 420 A 70 ALA H A 72 ALA H 1.0 . 4.77 434 421 A 72 ALA H A 73 TYR HBy 1.0 . 5.11 435 422 A 72 ALA H A 75 GLU HGy 1.0 . 5.50 436 423 A 70 ALA HA A 72 ALA H 1.0 . 5.00 437 424 A 72 ALA H A 69 LYS HBx 1.0 . 4.83 438 424 A 69 LYS HBy A 72 ALA H 1.0 . 4.83 439 425 A 72 ALA H A 71 ARG HBx 1.0 . 3.96 440 426 A 17 GLY HAy A 18 ALA H 1.0 . 3.21 441 427 A 74 LEU HDy% A 21 TRP H 1.0 . 5.50 442 428 A 41 ARG HBy A 21 TRP H 1.0 . 5.50 443 429 A 18 ALA H A 17 GLY HAx 1.0 . 3.31 444 430 A 18 ALA H A 13 ILE HA 1.0 . 5.50 445 431 A 13 ILE HG2% A 18 ALA H 1.0 . 4.97 446 432 A 14 LEU H A 17 GLY H 1.0 . 5.50 447 433 A 14 LEU H A 15 LEU H 1.0 . 3.69 448 434 A 14 LEU H A 13 ILE H 1.0 . 3.59 449 435 A 14 LEU H A 12 ASP H 1.0 . 4.98 450 436 A 14 LEU H A 12 ASP HA 1.0 . 4.73 451 437 A 14 LEU H A 11 VAL HA 1.0 . 3.76 452 438 A 14 LEU H A 10 VAL HA 1.0 . 4.99 453 439 A 14 LEU H A 12 ASP HBx 1.0 . 4.96 454 439 A 14 LEU H A 12 ASP HBy 1.0 . 4.96 455 440 A 14 LEU H A 11 VAL HB 1.0 . 5.50 456 441 A 14 LEU H A 14 LEU HBy 1.0 . 3.04 457 442 A 14 LEU H A 13 ILE HB 1.0 . 3.63 458 443 A 14 LEU H A 14 LEU HBx 1.0 . 3.76 459 444 A 14 LEU H A 38 ILE HG2% 1.0 . 4.61 460 445 A 13 ILE HG2% A 14 LEU H 1.0 . 4.32 461 446 A 10 VAL HGy% A 14 LEU H 1.0 . 5.50 462 447 A 13 ILE HD1% A 14 LEU H 1.0 . 5.50 463 448 A 72 ALA HB% A 71 ARG HE 1.0 . 5.50 464 449 A 20 ASP H A 19 ARG HDx 1.0 . 5.14 465 449 A 20 ASP H A 19 ARG HDy 1.0 . 5.14 466 450 A 20 ASP H A 19 ARG HGy 1.0 . 4.23 467 451 A 20 ASP H A 18 ALA HB% 1.0 . 5.50 468 452 A 13 ILE H A 13 ILE HG1x 1.0 . 3.85 469 453 A 13 ILE H A 12 ASP HBx 1.0 . 3.74 470 453 A 13 ILE H A 12 ASP HBy 1.0 . 3.74 471 454 A 21 TRP HA A 20 ASP H 1.0 . 5.50 472 455 A 13 ILE HD1% A 10 VAL H 1.0 . 5.50 473 456 A 10 VAL H A 7 GLN H 1.0 . 4.66 474 457 A 9 PHE H A 10 VAL H 1.0 . 3.67 475 458 A 10 VAL H A 9 PHE HBy 1.0 . 3.69 476 459 A 10 VAL H A 12 ASP HBx 1.0 . 5.10 477 459 A 12 ASP HBy A 10 VAL H 1.0 . 5.10 478 460 A 10 VAL H A 7 GLN HGx 1.0 . 5.50 479 460 A 10 VAL H A 7 GLN HGy 1.0 . 5.50 480 461 A 10 VAL H A 11 VAL HGy% 1.0 . 4.84 481 462 A 17 GLY H A 13 ILE H 1.0 . 5.50 482 463 A 13 ILE H A 16 ASN H 1.0 . 5.50 483 464 A 13 ILE H A 9 PHE HD% 1.0 . 5.50 484 465 A 13 ILE H A 14 LEU HA 1.0 . 5.50 485 466 A 13 ILE H A 14 LEU HBy 1.0 . 5.24 486 467 A 13 ILE H A 38 ILE HG2% 1.0 . 5.50 487 468 A 9 PHE HE% A 13 ILE H 1.0 . 5.50 488 469 A 7 GLN HA A 6 VAL H 1.0 . 5.50 489 470 A 6 VAL H A 8 ASP HBx 1.0 . 5.50 490 470 A 8 ASP HBy A 6 VAL H 1.0 . 5.50 491 471 A 36 LYS H A 28 CYS H 1.0 . 5.50 492 472 A 35 TYR H A 28 CYS H 1.0 . 4.19 493 473 A 37 THR H A 28 CYS H 1.0 . 5.10 494 474 A 35 TYR HD% A 28 CYS H 1.0 . 5.24 495 475 A 34 VAL HA A 28 CYS H 1.0 . 4.69 496 476 A 35 TYR HBy A 28 CYS H 1.0 . 4.66 497 477 A 28 CYS H A 28 CYS HBx 1.0 . 3.98 498 478 A 28 CYS H A 26 THR HG2% 1.0 . 5.07 499 479 A 37 THR HG2% A 28 CYS H 1.0 . 4.54 500 480 A 28 CYS H A 34 VAL HGx% 1.0 . 4.53 501 481 A 56 ILE HD1% A 28 CYS H 1.0 . 5.50 502 482 A 5 ALA H A 6 VAL H 1.0 . 4.36 503 483 A 6 VAL H A 3 MET HA 1.0 . 4.38 504 484 A 6 VAL H A 7 GLN HBy 1.0 . 5.40 505 485 A 6 VAL H A 67 VAL HGy% 1.0 . 5.50 506 486 A 37 THR HA A 28 CYS H 1.0 . 5.50 507 487 A 12 ASP H A 11 VAL H 1.0 . 3.95 508 488 A 13 ILE H A 12 ASP H 1.0 . 3.90 509 489 A 12 ASP H A 10 VAL HA 1.0 . 5.50 510 490 A 12 ASP H A 12 ASP HBx 1.0 . 3.18 511 490 A 12 ASP H A 12 ASP HBy 1.0 . 3.18 512 491 A 12 ASP H A 10 VAL HB 1.0 . 5.10 513 492 A 12 ASP H A 13 ILE HB 1.0 . 5.20 514 493 A 12 ASP H A 10 VAL HGx% 1.0 . 5.50 515 494 A 10 VAL HGy% A 12 ASP H 1.0 . 5.50 516 495 A 13 ILE HD1% A 12 ASP H 1.0 . 5.50 517 496 A 12 ASP H A 9 PHE HD% 1.0 . 5.50 518 497 A 21 TRP HE1 A 74 LEU H 1.0 . 5.50 519 498 A 7 GLN H A 6 VAL H 1.0 . 4.27 520 499 A 76 THR H A 74 LEU H 1.0 . 4.40 521 500 A 73 TYR H A 74 LEU H 1.0 . 3.11 522 501 A 9 PHE HE% A 74 LEU H 1.0 . 5.50 523 502 A 64 PHE HZ A 74 LEU H 1.0 . 5.50 524 503 A 7 GLN H A 3 MET HA 1.0 . 5.50 525 504 A 7 GLN H A 5 ALA HA 1.0 . 5.30 526 505 A 71 ARG HA A 74 LEU H 1.0 . 3.92 527 506 A 74 LEU H A 73 TYR HBx 1.0 . 3.63 528 507 A 74 LEU H A 74 LEU HBx 1.0 . 3.19 529 508 A 70 ALA HB% A 74 LEU H 1.0 . 5.50 530 509 A 74 LEU HDy% A 74 LEU H 1.0 . 4.77 531 510 A 74 LEU HDx% A 74 LEU H 1.0 . 4.82 532 511 A 71 ARG H A 74 LEU H 1.0 . 5.20 533 512 A 74 LEU H A 46 LEU HDx% 1.0 . 4.52 534 513 A 52 ASN HD2y A 53 LEU H 1.0 . 4.05 535 514 A 6 VAL HA A 8 ASP H 1.0 . 5.50 536 515 A 8 ASP H A 8 ASP HBx 1.0 . 3.56 537 515 A 8 ASP HBy A 8 ASP H 1.0 . 3.56 538 516 A 52 ASN HBy A 53 LEU H 1.0 . 3.96 539 517 A 7 GLN HBy A 8 ASP H 1.0 . 4.69 540 518 A 67 VAL HGx% A 53 LEU H 1.0 . 4.42 541 519 A 52 ASN H A 53 LEU H 1.0 . 5.12 542 520 A 64 PHE HD% A 53 LEU H 1.0 . 5.50 543 521 A 53 LEU H A 53 LEU HBy 1.0 . 3.50 544 522 A 53 LEU H A 53 LEU HG 1.0 . 4.28 545 523 A 53 LEU HDx% A 53 LEU H 1.0 . 4.88 546 524 A 44 THR H A 45 TYR H 1.0 . 4.63 547 525 A 42 GLY H A 44 THR H 1.0 . 5.50 548 526 A 43 ASN H A 44 THR H 1.0 . 3.57 549 527 A 44 THR H A 40 LYS HA 1.0 . 4.99 550 528 A 44 THR H A 44 THR HB 1.0 . 3.09 551 529 A 42 GLY HAy A 44 THR H 1.0 . 4.07 552 530 A 44 THR H A 43 ASN HBy 1.0 . 4.62 553 531 A 44 THR H A 40 LYS HEy 1.0 . 5.50 554 532 A 44 THR H A 43 ASN HBx 1.0 . 4.41 555 533 A 44 THR H A 44 THR HG2% 1.0 . 4.20 556 534 A 44 THR H A 57 THR HG2% 1.0 . 4.96 557 535 A 44 THR H A 41 ARG HBx 1.0 . 5.37 558 536 A 17 GLY H A 16 ASN HD2y 1.0 . 5.50 559 537 A 15 LEU H A 16 ASN HD2y 1.0 . 5.50 560 538 A 12 ASP HA A 16 ASN HD2y 1.0 . 4.46 561 539 A 16 ASN HD2y A 16 ASN HBx 1.0 . 3.91 562 539 A 16 ASN HD2y A 16 ASN HBy 1.0 . 3.91 563 540 A 16 ASN HD2x A 16 ASN HBx 1.0 . 4.02 564 540 A 16 ASN HBy A 16 ASN HD2x 1.0 . 4.02 565 541 A 16 ASN HD2x A 15 LEU HBy 1.0 . 5.00 566 542 A 16 ASN HD2x A 15 LEU HBx 1.0 . 5.27 567 543 A 16 ASN HD2y A 15 LEU HBy 1.0 . 5.11 568 544 A 16 ASN HD2y A 15 LEU HBx 1.0 . 5.44 569 545 A 11 VAL HB A 11 VAL H 1.0 . 3.65 570 546 A 10 VAL HGy% A 11 VAL H 1.0 . 5.10 571 547 A 71 ARG H A 69 LYS HA 1.0 . 3.92 572 548 A 71 ARG H A 71 ARG HDy 1.0 . 5.04 573 549 A 71 ARG H A 73 TYR HBx 1.0 . 5.17 574 550 A 71 ARG H A 69 LYS HBx 1.0 . 4.62 575 550 A 69 LYS HBy A 71 ARG H 1.0 . 4.62 576 551 A 71 ARG H A 71 ARG HBy 1.0 . 2.99 577 552 A 71 ARG H A 71 ARG HBx 1.0 . 3.48 578 553 A 71 ARG H A 72 ALA HB% 1.0 . 4.67 579 554 A 71 ARG H A 70 ALA HB% 1.0 . 3.72 580 555 A 74 LEU HDx% A 71 ARG H 1.0 . 5.50 581 556 A 15 LEU H A 13 ILE H 1.0 . 4.96 582 557 A 7 GLN HA A 11 VAL H 1.0 . 5.14 583 558 A 15 LEU H A 11 VAL HA 1.0 . 4.09 584 559 A 11 VAL H A 12 ASP HBx 1.0 . 4.96 585 559 A 12 ASP HBy A 11 VAL H 1.0 . 4.96 586 560 A 11 VAL H A 10 VAL HGx% 1.0 . 4.94 587 561 A 47 CYS H A 48 PHE H 1.0 . 5.40 588 562 A 49 ASP H A 48 PHE H 1.0 . 5.50 589 563 A 48 PHE H A 35 TYR HA 1.0 . 5.32 590 564 A 47 CYS HBy A 48 PHE H 1.0 . 3.86 591 565 A 35 TYR HBy A 48 PHE H 1.0 . 5.50 592 566 A 47 CYS HBx A 48 PHE H 1.0 . 4.20 593 567 A 35 TYR HBx A 48 PHE H 1.0 . 4.81 594 568 A 48 PHE H A 36 LYS HBy 1.0 . 5.34 595 569 A 48 PHE H A 36 LYS HBx 1.0 . 5.49 596 570 A 10 VAL HGy% A 48 PHE H 1.0 . 5.50 597 571 A 56 ILE HD1% A 48 PHE H 1.0 . 5.50 598 572 A 15 LEU H A 14 LEU HBy 1.0 . 3.80 599 573 A 15 LEU H A 16 ASN HD2x 1.0 . 5.50 600 574 A 15 LEU H A 15 LEU HBx 1.0 . 3.93 601 575 A 15 LEU H A 14 LEU HDy% 1.0 . 4.14 602 576 A 17 GLY H A 15 LEU H 1.0 . 5.06 603 577 A 15 LEU H A 15 LEU HBy 1.0 . 3.40 604 578 A 38 ILE H A 46 LEU H 1.0 . 5.50 605 579 A 38 ILE H A 26 THR H 1.0 . 5.50 606 580 A 38 ILE H A 45 TYR HD% 1.0 . 5.50 607 581 A 38 ILE H A 37 THR HB 1.0 . 4.05 608 582 A 38 ILE H A 45 TYR HBx 1.0 . 5.50 609 583 A 38 ILE H A 46 LEU HBy 1.0 . 5.48 610 584 A 38 ILE H A 38 ILE HG1y 1.0 . 4.76 611 585 A 38 ILE H A 46 LEU HBx 1.0 . 5.50 612 586 A 38 ILE H A 38 ILE HG1x 1.0 . 5.32 613 587 A 38 ILE H A 13 ILE HG2% 1.0 . 5.50 614 588 A 21 TRP HE1 A 76 THR H 1.0 . 5.50 615 589 A 74 LEU HBy A 76 THR H 1.0 . 5.23 616 590 A 47 CYS H A 54 TYR H 1.0 . 4.18 617 591 A 48 PHE HA A 54 TYR H 1.0 . 4.49 618 592 A 63 LYS HA A 54 TYR H 1.0 . 5.50 619 593 A 48 PHE HBy A 54 TYR H 1.0 . 5.48 620 594 A 54 TYR H A 48 PHE HBx 1.0 . 5.47 621 595 A 53 LEU HBy A 54 TYR H 1.0 . 4.34 622 596 A 54 TYR H A 53 LEU HBx 1.0 . 4.31 623 597 A 54 TYR H A 46 LEU HDy% 1.0 . 4.97 624 598 A 70 ALA HB% A 54 TYR H 1.0 . 5.37 625 599 A 53 LEU HDx% A 54 TYR H 1.0 . 5.50 626 600 A 53 LEU H A 54 TYR H 1.0 . 5.22 627 601 A 64 PHE H A 54 TYR H 1.0 . 5.50 628 602 A 46 LEU HA A 54 TYR H 1.0 . 4.88 629 603 A 56 ILE HD1% A 54 TYR H 1.0 . 5.50 630 604 A 76 THR H A 75 GLU H 1.0 . 3.16 631 605 A 76 THR H A 76 THR HB 1.0 . 3.45 632 606 A 76 THR H A 74 LEU HA 1.0 . 4.75 633 607 A 76 THR H A 75 GLU HGy 1.0 . 4.88 634 608 A 76 THR H A 75 GLU HGx 1.0 . 4.12 635 609 A 76 THR H A 75 GLU HBx 1.0 . 4.57 636 610 A 76 THR H A 74 LEU HBx 1.0 . 5.32 637 611 A 76 THR H A 76 THR HG2% 1.0 . 3.90 638 612 A 74 LEU HDx% A 76 THR H 1.0 . 5.50 639 613 A 48 PHE H A 54 TYR H 1.0 . 5.50 640 614 A 21 TRP HE1 A 75 GLU H 1.0 . 5.50 641 615 A 74 LEU H A 75 GLU H 1.0 . 3.49 642 616 A 75 GLU H A 72 ALA HA 1.0 . 3.84 643 617 A 71 ARG HA A 75 GLU H 1.0 . 5.03 644 618 A 75 GLU H A 19 ARG HDx 1.0 . 5.50 645 618 A 19 ARG HDy A 75 GLU H 1.0 . 5.50 646 619 A 75 GLU H A 73 TYR HBx 1.0 . 5.16 647 620 A 75 GLU HGy A 75 GLU H 1.0 . 3.63 648 621 A 75 GLU H A 75 GLU HGx 1.0 . 3.39 649 622 A 75 GLU H A 75 GLU HBx 1.0 . 3.26 650 623 A 74 LEU HBy A 75 GLU H 1.0 . 3.82 651 624 A 74 LEU HBx A 75 GLU H 1.0 . 3.66 652 625 A 75 GLU H A 76 THR HG2% 1.0 . 5.50 653 626 A 74 LEU HDx% A 75 GLU H 1.0 . 5.49 654 627 A 63 LYS HEx A 52 ASN HD2y 1.0 . 5.50 655 628 A 63 LYS HBy A 52 ASN HD2y 1.0 . 5.30 656 629 A 52 ASN HD2y A 51 THR HG2% 1.0 . 5.50 657 630 A 52 ASN HA A 52 ASN HD2x 1.0 . 5.13 658 631 A 51 THR HG2% A 52 ASN HD2x 1.0 . 5.50 659 632 A 52 ASN H A 52 ASN HD2x 1.0 . 5.50 660 633 A 53 LEU H A 52 ASN HD2x 1.0 . 5.50 661 634 A 63 LYS HA A 52 ASN HD2x 1.0 . 4.81 662 635 A 63 LYS HEx A 52 ASN HD2x 1.0 . 5.50 663 636 A 63 LYS HBy A 52 ASN HD2x 1.0 . 5.11 664 637 A 15 LEU H A 16 ASN H 1.0 . 3.63 665 638 A 16 ASN H A 16 ASN HD2y 1.0 . 4.57 666 639 A 16 ASN H A 16 ASN HD2x 1.0 . 4.63 667 640 A 12 ASP HA A 16 ASN H 1.0 . 3.98 668 641 A 16 ASN H A 14 LEU HA 1.0 . 5.50 669 642 A 13 ILE HA A 16 ASN H 1.0 . 5.39 670 643 A 16 ASN H A 15 LEU HBy 1.0 . 3.73 671 644 A 16 ASN H A 15 LEU HBx 1.0 . 4.00 672 645 A 14 LEU HBx A 16 ASN H 1.0 . 5.37 673 646 A 67 VAL H A 68 SER H 1.0 . 3.99 674 647 A 70 ALA H A 68 SER H 1.0 . 4.88 675 648 A 68 SER H A 66 THR HB 1.0 . 3.80 676 649 A 68 SER H A 69 LYS HBx 1.0 . 5.16 677 649 A 69 LYS HBy A 68 SER H 1.0 . 5.16 678 650 A 68 SER H A 67 VAL HB 1.0 . 3.94 679 651 A 68 SER H A 69 LYS HGx 1.0 . 5.50 680 652 A 68 SER H A 66 THR HG2% 1.0 . 5.02 681 653 A 67 VAL HGx% A 68 SER H 1.0 . 4.70 682 654 A 53 LEU HDx% A 68 SER H 1.0 . 5.50 683 655 A 2 HIS H A 4 THR HA 1.0 . 5.17 684 656 A 2 HIS H A 3 MET HGx 1.0 . 5.50 685 656 A 2 HIS H A 3 MET HGy 1.0 . 5.50 686 657 A 4 THR HG2% A 2 HIS H 1.0 . 5.13 687 658 A 28 CYS HBx A 27 THR H 1.0 . 5.50 688 659 A 28 CYS H A 27 THR H 1.0 . 4.45 689 660 A 37 THR H A 27 THR H 1.0 . 4.79 690 661 A 27 THR H A 26 THR HA 1.0 . 3.35 691 662 A 26 THR HB A 27 THR H 1.0 . 3.75 692 663 A 26 THR HG2% A 27 THR H 1.0 . 3.54 693 664 A 37 THR HG2% A 27 THR H 1.0 . 4.92 694 665 A 34 VAL HGx% A 27 THR H 1.0 . 5.50 695 666 A 5 ALA H A 4 THR H 1.0 . 4.71 696 667 A 4 THR HB A 4 THR H 1.0 . 3.45 697 668 A 3 MET H A 3 MET HGx 1.0 . 5.21 698 668 A 3 MET HGy A 3 MET H 1.0 . 5.21 699 669 A 5 ALA HB% A 4 THR H 1.0 . 5.50 700 670 A 52 ASN H A 50 ASP H 1.0 . 4.52 701 671 A 49 ASP H A 50 ASP H 1.0 . 4.55 702 672 A 50 ASP H A 51 THR H 1.0 . 3.65 703 673 A 48 PHE HD% A 50 ASP H 1.0 . 5.39 704 674 A 50 ASP H A 54 TYR HE% 1.0 . 5.50 705 675 A 49 ASP HBy A 50 ASP H 1.0 . 3.15 706 676 A 50 ASP HBy A 50 ASP H 1.0 . 3.22 707 677 A 50 ASP H A 33 LYS HEx 1.0 . 5.50 708 678 A 51 THR HG2% A 50 ASP H 1.0 . 5.35 709 679 A 43 ASN H A 43 ASN HD2y 1.0 . 5.50 710 680 A 43 ASN HD2y A 43 ASN HA 1.0 . 5.49 711 681 A 57 THR HG2% A 43 ASN HD2y 1.0 . 5.50 712 682 A 44 THR H A 43 ASN HD2y 1.0 . 5.50 713 683 A 43 ASN H A 43 ASN HD2x 1.0 . 5.50 714 684 A 57 THR HG2% A 43 ASN HD2x 1.0 . 5.44 715 685 A 58 GLY H A 43 ASN HD2x 1.0 . 5.50 716 686 A 57 THR HB A 43 ASN HD2x 1.0 . 5.50 717 687 A 58 GLY HAx A 43 ASN HD2x 1.0 . 5.50 718 688 A 25 GLN H A 25 GLN HE2y 1.0 . 5.50 719 689 A 26 THR H A 25 GLN HE2y 1.0 . 5.50 720 690 A 25 GLN HA A 25 GLN HE2y 1.0 . 5.50 721 691 A 14 LEU HA A 25 GLN HE2y 1.0 . 5.50 722 692 A 25 GLN HE2y A 23 VAL HGy% 1.0 . 5.50 723 693 A 14 LEU HDy% A 25 GLN HE2y 1.0 . 4.78 724 694 A 23 VAL HGx% A 25 GLN HE2y 1.0 . 5.50 725 695 A 25 GLN H A 25 GLN HE2x 1.0 . 5.50 726 696 A 25 GLN HA A 25 GLN HE2x 1.0 . 5.50 727 697 A 23 VAL HGy% A 25 GLN HE2x 1.0 . 5.50 728 698 A 14 LEU HA A 25 GLN HE2x 1.0 . 5.50 729 699 A 14 LEU HBy A 25 GLN HE2x 1.0 . 5.50 730 700 A 23 VAL HGx% A 25 GLN HE2x 1.0 . 5.50 731 701 A 17 GLY H A 18 ALA HA 1.0 . 5.50 732 702 A 17 GLY H A 14 LEU HA 1.0 . 5.37 733 703 A 17 GLY H A 23 VAL HGy% 1.0 . 4.66 734 704 A 17 GLY H A 16 ASN H 1.0 . 3.24 735 705 A 17 GLY H A 16 ASN HBx 1.0 . 4.26 736 705 A 17 GLY H A 16 ASN HBy 1.0 . 4.26 737 706 A 17 GLY H A 15 LEU HBy 1.0 . 5.08 738 707 A 17 GLY H A 15 LEU HBx 1.0 . 5.50 739 708 A 17 GLY H A 14 LEU HDy% 1.0 . 5.50 740 709 A 13 ILE HG2% A 17 GLY H 1.0 . 4.92 741 710 A 13 ILE HD1% A 17 GLY H 1.0 . 5.50 742 711 A 37 THR H A 47 CYS HA 1.0 . 5.22 743 712 A 37 THR H A 38 ILE HG1y 1.0 . 5.50 744 713 A 38 ILE H A 37 THR H 1.0 . 4.95 745 714 A 38 ILE HA A 37 THR H 1.0 . 5.29 746 715 A 37 THR H A 27 THR HB 1.0 . 5.40 747 716 A 37 THR H A 28 CYS HBx 1.0 . 5.50 748 717 A 37 THR H A 36 LYS HBy 1.0 . 4.04 749 718 A 37 THR H A 36 LYS HGy 1.0 . 4.97 750 719 A 37 THR H A 26 THR HG2% 1.0 . 4.72 751 720 A 27 THR HG2% A 37 THR H 1.0 . 4.55 752 721 A 37 THR H A 36 LYS HBx 1.0 . 4.47 753 722 A 7 GLN HBy A 7 GLN HE2x 1.0 . 5.50 754 723 A 7 GLN HE2y A 48 PHE HZ 1.0 . 5.50 755 724 A 7 GLN HBy A 7 GLN HE2y 1.0 . 5.50 756 725 A 11 VAL HGy% A 7 GLN HE2y 1.0 . 5.50 757 726 A 3 MET HA A 7 GLN HE2y 1.0 . 5.50 758 727 A 7 GLN HA A 7 GLN HE2y 1.0 . 5.50 759 728 A 8 ASP H A 7 GLN HE2x 1.0 . 5.50 760 729 A 7 GLN HE2x A 48 PHE HZ 1.0 . 5.50 761 730 A 11 VAL HGy% A 7 GLN HE2x 1.0 . 5.50 762 731 A 10 VAL HGx% A 7 GLN HE2x 1.0 . 5.50 763 732 A 3 MET HA A 7 GLN HE2x 1.0 . 5.50 764 733 A 11 VAL H A 7 GLN HE2x 1.0 . 5.50 765 734 A 24 LEU H A 39 CYS H 1.0 . 5.50 766 735 A 46 LEU H A 39 CYS H 1.0 . 3.93 767 736 A 38 ILE H A 39 CYS H 1.0 . 3.19 768 737 A 21 TRP HE3 A 39 CYS H 1.0 . 4.94 769 738 A 45 TYR HD% A 39 CYS H 1.0 . 5.30 770 739 A 39 CYS H A 45 TYR HA 1.0 . 4.79 771 740 A 37 THR HB A 39 CYS H 1.0 . 4.15 772 741 A 23 VAL HA A 39 CYS H 1.0 . 5.09 773 742 A 45 TYR HBx A 39 CYS H 1.0 . 5.50 774 743 A 46 LEU HBy A 39 CYS H 1.0 . 4.11 775 744 A 39 CYS H A 38 ILE HB 1.0 . 3.75 776 745 A 39 CYS H A 38 ILE HG1y 1.0 . 5.08 777 746 A 46 LEU HBx A 39 CYS H 1.0 . 4.68 778 747 A 39 CYS H A 38 ILE HG2% 1.0 . 3.99 779 748 A 13 ILE HG2% A 39 CYS H 1.0 . 5.50 780 749 A 32 ARG H A 32 ARG HGy 1.0 . 4.36 781 750 A 30 VAL H A 32 ARG H 1.0 . 5.46 782 751 A 31 ASP H A 32 ARG H 1.0 . 4.05 783 752 A 32 ARG HGx A 32 ARG H 1.0 . 3.70 784 753 A 29 THR HG2% A 32 ARG H 1.0 . 4.14 785 754 A 35 TYR HE% A 32 ARG H 1.0 . 5.50 786 755 A 49 ASP H A 51 THR H 1.0 . 4.68 787 756 A 52 ASN HD2x A 51 THR H 1.0 . 5.50 788 757 A 51 THR H A 54 TYR HE% 1.0 . 5.48 789 758 A 52 ASN HA A 51 THR H 1.0 . 4.98 790 759 A 49 ASP HBy A 51 THR H 1.0 . 4.60 791 760 A 52 ASN H A 51 THR H 1.0 . 3.06 792 761 A 52 ASN HD2y A 51 THR H 1.0 . 5.50 793 762 A 49 ASP HA A 51 THR H 1.0 . 4.77 794 763 A 51 THR HB A 51 THR H 1.0 . 4.11 795 764 A 50 ASP HBy A 51 THR H 1.0 . 3.92 796 765 A 51 THR H A 49 ASP HBx 1.0 . 5.15 797 766 A 51 THR HG2% A 51 THR H 1.0 . 4.29 798 767 A 65 ALA H A 66 THR H 1.0 . 4.87 799 768 A 66 THR H A 67 VAL H 1.0 . 4.59 800 769 A 66 THR H A 68 SER H 1.0 . 5.43 801 770 A 66 THR H A 69 LYS H 1.0 . 4.09 802 771 A 66 THR H A 64 PHE HD% 1.0 . 4.84 803 772 A 66 THR H A 64 PHE HA 1.0 . 3.91 804 773 A 66 THR H A 67 VAL HA 1.0 . 5.48 805 774 A 66 THR H A 64 PHE HBy 1.0 . 3.87 806 775 A 66 THR H A 64 PHE HBx 1.0 . 4.28 807 776 A 66 THR H A 69 LYS HBx 1.0 . 3.35 808 776 A 66 THR H A 69 LYS HBy 1.0 . 3.35 809 777 A 66 THR H A 69 LYS HGx 1.0 . 4.37 810 778 A 66 THR H A 65 ALA HB% 1.0 . 3.70 811 779 A 66 THR H A 66 THR HG2% 1.0 . 4.04 812 780 A 66 THR H A 67 VAL HGx% 1.0 . 5.50 813 781 A 66 THR H A 70 ALA HB% 1.0 . 5.50 814 782 A 58 GLY HAy A 57 THR HA 1.0 . 5.50 815 783 A 58 GLY HAy A 59 ASP HBx 1.0 . 4.87 816 783 A 59 ASP HBy A 58 GLY HAy 1.0 . 4.87 817 784 A 59 ASP HA A 58 GLY HAx 1.0 . 5.50 818 785 A 59 ASP HA A 58 GLY HAy 1.0 . 5.30 819 786 A 58 GLY HAx A 57 THR HA 1.0 . 4.60 820 787 A 58 GLY HAx A 57 THR HG2% 1.0 . 5.50 821 788 A 56 ILE HG2% A 58 GLY HAx 1.0 . 5.50 822 789 A 58 GLY HAx A 59 ASP HBx 1.0 . 5.15 823 789 A 59 ASP HBy A 58 GLY HAx 1.0 . 5.15 824 790 A 42 GLY HAy A 43 ASN HBx 1.0 . 5.41 825 791 A 41 ARG HGy A 42 GLY HAy 1.0 . 5.50 826 792 A 42 GLY HAy A 43 ASN HD2y 1.0 . 5.50 827 793 A 44 THR H A 42 GLY HAx 1.0 . 5.33 828 794 A 42 GLY HAx A 41 ARG HA 1.0 . 4.75 829 795 A 52 ASN HA A 53 LEU HBy 1.0 . 5.50 830 796 A 70 ALA H A 53 LEU HBy 1.0 . 5.50 831 797 A 64 PHE HBx A 53 LEU HBx 1.0 . 5.03 832 798 A 70 ALA HB% A 53 LEU HBx 1.0 . 4.85 833 799 A 48 PHE HA A 53 LEU HBy 1.0 . 5.50 834 800 A 17 GLY HAy A 16 ASN HBx 1.0 . 5.50 835 800 A 17 GLY HAy A 16 ASN HBy 1.0 . 5.50 836 801 A 17 GLY HAy A 23 VAL HGy% 1.0 . 4.50 837 802 A 17 GLY HAy A 14 LEU HA 1.0 . 5.50 838 803 A 17 GLY HAx A 16 ASN HBx 1.0 . 5.50 839 803 A 17 GLY HAx A 16 ASN HBy 1.0 . 5.50 840 804 A 13 ILE HG2% A 17 GLY HAx 1.0 . 5.01 841 805 A 25 GLN H A 24 LEU HBx 1.0 . 4.24 842 806 A 24 LEU HBx A 40 LYS HGx 1.0 . 5.50 843 807 A 24 LEU HBx A 45 TYR HE% 1.0 . 5.50 844 808 A 54 TYR HBy A 63 LYS HA 1.0 . 5.50 845 809 A 54 TYR HBy A 47 CYS H 1.0 . 5.18 846 810 A 52 ASN HBy A 65 ALA HA 1.0 . 5.50 847 811 A 52 ASN HBx A 65 ALA HA 1.0 . 5.50 848 812 A 54 TYR HBx A 47 CYS H 1.0 . 5.50 849 813 A 54 TYR HBx A 61 VAL HGy% 1.0 . 4.69 850 814 A 54 TYR HBx A 56 ILE HD1% 1.0 . 5.46 851 815 A 52 ASN HBy A 54 TYR HE% 1.0 . 4.83 852 816 A 52 ASN HBx A 53 LEU H 1.0 . 4.05 853 817 A 55 ALA HA A 54 TYR HBx 1.0 . 5.50 854 818 A 74 LEU HBy A 19 ARG HDx 1.0 . 4.67 855 818 A 74 LEU HBy A 19 ARG HDy 1.0 . 4.67 856 819 A 62 LEU H A 62 LEU HBy 1.0 . 3.90 857 820 A 62 LEU HBx A 63 LYS H 1.0 . 5.50 858 821 A 62 LEU HBx A 61 VAL HA 1.0 . 5.50 859 822 A 9 PHE HBx A 71 ARG HDy 1.0 . 4.80 860 823 A 75 GLU HBx A 19 ARG HDx 1.0 . 3.63 861 823 A 19 ARG HDy A 75 GLU HBx 1.0 . 3.63 862 824 A 19 ARG HBx A 19 ARG HDx 1.0 . 3.71 863 824 A 19 ARG HBx A 19 ARG HDy 1.0 . 3.71 864 825 A 46 LEU HBy A 38 ILE HD1% 1.0 . 4.77 865 826 A 21 TRP HE1 A 41 ARG HDx 1.0 . 5.50 866 827 A 11 VAL HGy% A 15 LEU HBy 1.0 . 5.50 867 828 A 48 PHE HBy A 47 CYS HA 1.0 . 5.50 868 829 A 53 LEU HDx% A 48 PHE HBy 1.0 . 5.12 869 830 A 49 ASP H A 48 PHE HBx 1.0 . 4.29 870 831 A 10 VAL HGy% A 48 PHE HBx 1.0 . 4.91 871 832 A 23 VAL H A 22 ASP HBx 1.0 . 4.46 872 832 A 23 VAL H A 22 ASP HBy 1.0 . 4.46 873 833 A 74 LEU HBy A 74 LEU H 1.0 . 3.66 874 834 A 74 LEU HBy A 75 GLU HGy 1.0 . 5.50 875 835 A 21 TRP HE1 A 74 LEU HBx 1.0 . 5.50 876 836 A 33 LYS HEy A 33 LYS HBx 1.0 . 3.50 877 837 A 49 ASP HA A 33 LYS HEx 1.0 . 5.34 878 838 A 33 LYS HEx A 33 LYS HA 1.0 . 5.50 879 839 A 34 VAL H A 33 LYS HEx 1.0 . 5.50 880 840 A 38 ILE H A 38 ILE HB 1.0 . 4.00 881 841 A 37 THR HA A 38 ILE HB 1.0 . 5.50 882 842 A 46 LEU HBy A 38 ILE HB 1.0 . 4.39 883 843 A 13 ILE HG2% A 38 ILE HB 1.0 . 5.11 884 844 A 49 ASP HBy A 33 LYS HEx 1.0 . 5.50 885 845 A 36 LYS HBy A 36 LYS HEy 1.0 . 3.42 886 846 A 36 LYS HBx A 36 LYS HEy 1.0 . 4.09 887 847 A 63 LYS HEx A 63 LYS HA 1.0 . 4.75 888 848 A 50 ASP H A 49 ASP HBx 1.0 . 3.93 889 849 A 13 ILE H A 14 LEU HBx 1.0 . 5.50 890 850 A 14 LEU HBx A 15 LEU HA 1.0 . 5.50 891 851 A 35 TYR HD% A 49 ASP HBx 1.0 . 5.09 892 852 A 11 VAL HA A 14 LEU HBy 1.0 . 4.08 893 853 A 14 LEU HBy A 14 LEU HDy% 1.0 . 3.73 894 854 A 15 LEU H A 14 LEU HBx 1.0 . 4.52 895 855 A 14 LEU HBx A 14 LEU HDx% 1.0 . 3.58 896 856 A 45 TYR H A 45 TYR HBy 1.0 . 3.93 897 857 A 37 THR HG2% A 45 TYR HBy 1.0 . 5.22 898 858 A 77 LYS HBy A 77 LYS HEy 1.0 . 5.50 899 859 A 56 ILE HD1% A 35 TYR HBy 1.0 . 4.87 900 860 A 35 TYR HBx A 34 VAL HGx% 1.0 . 5.50 901 861 A 49 ASP HBy A 50 ASP HBy 1.0 . 5.35 902 862 A 50 ASP HBy A 51 THR HG2% 1.0 . 4.00 903 863 A 35 TYR HBx A 28 CYS H 1.0 . 5.50 904 864 A 35 TYR HBx A 47 CYS HA 1.0 . 5.50 905 865 A 47 CYS HBy A 35 TYR HBx 1.0 . 4.25 906 866 A 56 ILE HD1% A 35 TYR HBx 1.0 . 5.05 907 867 A 16 ASN H A 16 ASN HBx 1.0 . 3.35 908 867 A 16 ASN H A 16 ASN HBy 1.0 . 3.35 909 868 A 12 ASP HA A 16 ASN HBx 1.0 . 3.43 910 868 A 12 ASP HA A 16 ASN HBy 1.0 . 3.43 911 869 A 56 ILE H A 56 ILE HB 1.0 . 3.60 912 870 A 57 THR H A 56 ILE HB 1.0 . 4.88 913 871 A 45 TYR HD% A 56 ILE HB 1.0 . 5.12 914 872 A 55 ALA HA A 56 ILE HB 1.0 . 4.51 915 873 A 61 VAL HA A 56 ILE HB 1.0 . 5.50 916 874 A 45 TYR HBy A 56 ILE HB 1.0 . 3.78 917 875 A 56 ILE HD1% A 56 ILE HB 1.0 . 4.00 918 876 A 56 ILE HB A 30 VAL HGy% 1.0 . 5.50 919 877 A 41 ARG HGx A 20 ASP HBx 1.0 . 5.50 920 878 A 19 ARG HBx A 20 ASP HBy 1.0 . 5.44 921 879 A 19 ARG HBx A 20 ASP HBx 1.0 . 5.01 922 880 A 41 ARG HGy A 20 ASP HBx 1.0 . 5.50 923 881 A 9 PHE H A 9 PHE HBy 1.0 . 3.54 924 882 A 53 LEU HDx% A 9 PHE HBy 1.0 . 5.35 925 883 A 21 TRP H A 20 ASP HBy 1.0 . 5.50 926 884 A 30 VAL HB A 31 ASP HBy 1.0 . 5.02 927 885 A 31 ASP HBy A 33 LYS HGx 1.0 . 5.48 928 886 A 31 ASP HBy A 32 ARG H 1.0 . 4.07 929 887 A 21 TRP HE1 A 20 ASP HBx 1.0 . 5.50 930 888 A 9 PHE HBx A 8 ASP HBx 1.0 . 4.78 931 888 A 8 ASP HBy A 9 PHE HBx 1.0 . 4.78 932 889 A 32 ARG H A 31 ASP HBx 1.0 . 4.49 933 890 A 9 PHE HBx A 8 ASP H 1.0 . 5.50 934 891 A 43 ASN HBy A 43 ASN HD2y 1.0 . 3.51 935 892 A 31 ASP HBy A 33 LYS H 1.0 . 4.27 936 893 A 70 ALA HA A 73 TYR HBy 1.0 . 4.47 937 894 A 64 PHE HZ A 73 TYR HBy 1.0 . 5.50 938 895 A 64 PHE HZ A 73 TYR HBx 1.0 . 4.94 939 896 A 33 LYS HBy A 31 ASP HBx 1.0 . 5.11 940 897 A 52 ASN HD2y A 64 PHE HBx 1.0 . 5.50 941 898 A 57 THR HG2% A 43 ASN HBy 1.0 . 4.76 942 899 A 46 LEU HDx% A 73 TYR HBx 1.0 . 5.50 943 900 A 64 PHE HBy A 69 LYS HBx 1.0 . 4.26 944 900 A 64 PHE HBy A 69 LYS HBy 1.0 . 4.26 945 901 A 64 PHE HBy A 53 LEU HBy 1.0 . 5.00 946 902 A 70 ALA HB% A 73 TYR HBx 1.0 . 4.63 947 903 A 74 LEU HDy% A 73 TYR HBx 1.0 . 5.50 948 904 A 64 PHE HBx A 53 LEU HBy 1.0 . 4.64 949 905 A 64 PHE HBx A 70 ALA HB% 1.0 . 4.95 950 906 A 41 ARG H A 40 LYS HBy 1.0 . 4.99 951 907 A 45 TYR HE% A 40 LYS HBy 1.0 . 5.50 952 908 A 24 LEU HBx A 40 LYS HBx 1.0 . 5.50 953 909 A 40 LYS HBx A 45 TYR HD% 1.0 . 4.99 954 910 A 40 LYS HBx A 41 ARG HA 1.0 . 5.50 955 911 A 75 GLU HA A 75 GLU HGy 1.0 . 4.00 956 912 A 75 GLU HGy A 19 ARG HDx 1.0 . 5.50 957 912 A 19 ARG HDy A 75 GLU HGy 1.0 . 5.50 958 913 A 75 GLU HGy A 74 LEU HBx 1.0 . 5.50 959 914 A 75 GLU HA A 75 GLU HGx 1.0 . 3.83 960 915 A 75 GLU HGx A 19 ARG HDx 1.0 . 5.50 961 915 A 19 ARG HDy A 75 GLU HGx 1.0 . 5.50 962 916 A 19 ARG HGy A 75 GLU HGx 1.0 . 4.93 963 917 A 74 LEU HDy% A 75 GLU HGx 1.0 . 5.50 964 918 A 13 ILE HB A 14 LEU HA 1.0 . 5.50 965 919 A 13 ILE H A 13 ILE HB 1.0 . 3.40 966 920 A 13 ILE HB A 12 ASP HBx 1.0 . 4.92 967 920 A 12 ASP HBy A 13 ILE HB 1.0 . 4.92 968 921 A 13 ILE HB A 38 ILE HG2% 1.0 . 4.14 969 922 A 25 GLN HGy A 26 THR H 1.0 . 5.02 970 923 A 25 GLN H A 25 GLN HGx 1.0 . 4.60 971 924 A 25 GLN HA A 25 GLN HGx 1.0 . 4.14 972 925 A 14 LEU HDy% A 25 GLN HGx 1.0 . 5.05 973 926 A 24 LEU HA A 25 GLN HGx 1.0 . 5.50 974 927 A 25 GLN HGy A 14 LEU HDy% 1.0 . 4.69 975 928 A 30 VAL HB A 56 ILE HB 1.0 . 5.49 976 929 A 30 VAL HB A 29 THR HA 1.0 . 4.94 977 930 A 30 VAL HB A 56 ILE HD1% 1.0 . 5.32 978 931 A 30 VAL HB A 33 LYS H 1.0 . 5.50 979 932 A 7 GLN H A 7 GLN HGx 1.0 . 4.05 980 932 A 7 GLN H A 7 GLN HGy 1.0 . 4.05 981 933 A 6 VAL HGx% A 7 GLN HGx 1.0 . 4.72 982 933 A 7 GLN HGy A 6 VAL HGx% 1.0 . 4.72 983 934 A 47 CYS HBy A 35 TYR HA 1.0 . 5.50 984 935 A 7 GLN HGy A 8 ASP HBx 1.0 . 4.85 985 935 A 7 GLN HGx A 8 ASP HBx 1.0 . 4.85 986 935 A 8 ASP HBy A 7 GLN HGx 1.0 . 4.85 987 935 A 8 ASP HBy A 7 GLN HGy 1.0 . 4.85 988 936 A 8 ASP H A 7 GLN HGx 1.0 . 4.86 989 936 A 7 GLN HGy A 8 ASP H 1.0 . 4.86 990 937 A 47 CYS HBy A 48 PHE HD% 1.0 . 5.50 991 938 A 47 CYS HBy A 35 TYR HBy 1.0 . 4.34 992 939 A 54 TYR HBx A 47 CYS HBy 1.0 . 5.50 993 940 A 56 ILE HD1% A 47 CYS HBy 1.0 . 5.28 994 941 A 47 CYS HBy A 54 TYR H 1.0 . 5.50 995 942 A 47 CYS HBx A 54 TYR H 1.0 . 5.08 996 943 A 56 ILE HD1% A 47 CYS HBx 1.0 . 4.96 997 944 A 35 TYR HBy A 47 CYS HBx 1.0 . 4.68 998 945 A 63 LYS HEx A 63 LYS HBy 1.0 . 5.42 999 946 A 6 VAL HGx% A 3 MET HBx 1.0 . 5.50 1000 947 A 77 LYS HDx A 77 LYS HA 1.0 . 3.91 1001 948 A 77 LYS HDx A 77 LYS HBx 1.0 . 3.86 1002 949 A 54 TYR HD% A 61 VAL HB 1.0 . 5.50 1003 950 A 61 VAL HB A 56 ILE HD1% 1.0 . 5.50 1004 951 A 62 LEU H A 61 VAL HB 1.0 . 4.71 1005 952 A 77 LYS HBy A 77 LYS HEx 1.0 . 5.50 1006 953 A 76 THR HG2% A 77 LYS HBx 1.0 . 5.50 1007 954 A 36 LYS HBy A 36 LYS HDy 1.0 . 3.97 1008 955 A 36 LYS HBx A 36 LYS HDx 1.0 . 4.18 1009 956 A 36 LYS HBx A 48 PHE HE% 1.0 . 4.68 1010 957 A 35 TYR H A 34 VAL HB 1.0 . 4.65 1011 958 A 34 VAL HB A 29 THR HA 1.0 . 5.28 1012 959 A 60 VAL HB A 56 ILE HG2% 1.0 . 5.36 1013 960 A 56 ILE HA A 60 VAL HB 1.0 . 4.87 1014 961 A 67 VAL HA A 66 THR HB 1.0 . 4.90 1015 962 A 64 PHE HBx A 69 LYS HBx 1.0 . 4.72 1016 962 A 64 PHE HBx A 69 LYS HBy 1.0 . 4.72 1017 963 A 6 VAL HB A 6 VAL H 1.0 . 3.37 1018 964 A 6 VAL HB A 7 GLN H 1.0 . 3.81 1019 965 A 27 THR HG2% A 34 VAL HB 1.0 . 5.50 1020 966 A 12 ASP H A 11 VAL HB 1.0 . 3.75 1021 967 A 9 PHE HD% A 10 VAL HB 1.0 . 5.50 1022 968 A 10 VAL H A 10 VAL HB 1.0 . 3.26 1023 969 A 9 PHE H A 10 VAL HB 1.0 . 5.35 1024 970 A 34 VAL HB A 27 THR HB 1.0 . 5.26 1025 971 A 35 TYR H A 27 THR HB 1.0 . 4.76 1026 972 A 28 CYS H A 27 THR HB 1.0 . 3.36 1027 973 A 34 VAL HGx% A 27 THR HB 1.0 . 3.47 1028 974 A 28 CYS HBx A 27 THR HB 1.0 . 5.50 1029 975 A 39 CYS HBy A 38 ILE HB 1.0 . 4.08 1030 976 A 25 GLN H A 24 LEU HG 1.0 . 5.50 1031 977 A 39 CYS HBy A 23 VAL HGy% 1.0 . 4.30 1032 978 A 39 CYS HBy A 13 ILE HG2% 1.0 . 5.11 1033 979 A 22 ASP HA A 39 CYS HBx 1.0 . 5.50 1034 980 A 39 CYS HBx A 23 VAL HGy% 1.0 . 4.48 1035 981 A 39 CYS HBx A 13 ILE HG2% 1.0 . 5.50 1036 982 A 67 VAL H A 67 VAL HB 1.0 . 3.50 1037 983 A 5 ALA HB% A 67 VAL HB 1.0 . 4.89 1038 984 A 39 CYS HBx A 22 ASP H 1.0 . 4.63 1039 985 A 39 CYS HBx A 21 TRP HE3 1.0 . 4.10 1040 986 A 39 CYS HBx A 21 TRP HBy 1.0 . 3.29 1041 987 A 25 GLN HBy A 24 LEU HA 1.0 . 5.50 1042 988 A 25 GLN HE2y A 25 GLN HBx 1.0 . 5.50 1043 989 A 28 CYS HBy A 56 ILE HB 1.0 . 5.50 1044 990 A 28 CYS HBy A 35 TYR HD% 1.0 . 5.30 1045 991 A 56 ILE HG1y A 28 CYS HBy 1.0 . 5.42 1046 992 A 56 ILE HD1% A 28 CYS HBy 1.0 . 5.03 1047 993 A 28 CYS HBy A 29 THR HA 1.0 . 5.40 1048 994 A 35 TYR H A 28 CYS HBx 1.0 . 5.47 1049 995 A 45 TYR HD% A 28 CYS HBx 1.0 . 5.50 1050 996 A 35 TYR HD% A 28 CYS HBx 1.0 . 5.50 1051 997 A 51 THR HB A 52 ASN HD2x 1.0 . 5.50 1052 998 A 28 CYS HBy A 37 THR HG2% 1.0 . 5.46 1053 999 A 28 CYS HBx A 45 TYR HBy 1.0 . 4.68 1054 1000 A 28 CYS HBx A 26 THR HG2% 1.0 . 5.50 1055 1001 A 37 THR HG2% A 28 CYS HBx 1.0 . 5.36 1056 1002 A 56 ILE HD1% A 28 CYS HBx 1.0 . 4.95 1057 1003 A 25 GLN HBy A 14 LEU HDy% 1.0 . 5.50 1058 1004 A 52 ASN HD2y A 51 THR HB 1.0 . 5.50 1059 1005 A 52 ASN HBx A 51 THR HB 1.0 . 4.34 1060 1006 A 75 GLU H A 75 GLU HBy 1.0 . 3.96 1061 1007 A 21 TRP HA A 41 ARG HBx 1.0 . 5.10 1062 1008 A 44 THR HB A 21 TRP HH2 1.0 . 4.76 1063 1009 A 21 TRP HZ3 A 44 THR HB 1.0 . 4.96 1064 1010 A 41 ARG HBx A 44 THR HB 1.0 . 5.44 1065 1011 A 45 TYR HD% A 40 LYS HDx 1.0 . 5.50 1066 1012 A 45 TYR HE% A 40 LYS HDx 1.0 . 4.98 1067 1013 A 40 LYS HBx A 40 LYS HDx 1.0 . 2.52 1068 1014 A 20 ASP H A 19 ARG HBy 1.0 . 4.13 1069 1015 A 19 ARG HBx A 20 ASP H 1.0 . 4.08 1070 1016 A 19 ARG HBx A 19 ARG H 1.0 . 3.84 1071 1017 A 4 THR HB A 5 ALA HB% 1.0 . 4.81 1072 1018 A 4 THR HB A 7 GLN H 1.0 . 5.31 1073 1019 A 70 ALA HB% A 71 ARG HBy 1.0 . 5.50 1074 1020 A 76 THR HB A 73 TYR HA 1.0 . 4.78 1075 1021 A 44 THR HA A 57 THR HB 1.0 . 5.50 1076 1022 A 57 THR HB A 58 GLY H 1.0 . 5.24 1077 1023 A 60 VAL H A 57 THR HB 1.0 . 4.64 1078 1024 A 71 ARG HBy A 9 PHE HD% 1.0 . 4.88 1079 1025 A 69 LYS HA A 69 LYS HDx 1.0 . 4.09 1080 1026 A 64 PHE HBy A 69 LYS HDx 1.0 . 4.66 1081 1027 A 60 VAL HB A 57 THR HB 1.0 . 3.93 1082 1028 A 26 THR HB A 26 THR H 1.0 . 3.83 1083 1029 A 56 ILE HG1y A 57 THR H 1.0 . 5.30 1084 1030 A 56 ILE HG1y A 61 VAL HA 1.0 . 3.88 1085 1031 A 7 GLN H A 7 GLN HBx 1.0 . 4.02 1086 1032 A 8 ASP H A 7 GLN HBx 1.0 . 4.14 1087 1033 A 11 VAL HGy% A 7 GLN HBx 1.0 . 5.50 1088 1034 A 6 VAL HGx% A 7 GLN HBx 1.0 . 5.37 1089 1035 A 7 GLN HE2y A 7 GLN HBx 1.0 . 5.50 1090 1036 A 62 LEU H A 56 ILE HG1y 1.0 . 5.50 1091 1037 A 54 TYR HBy A 56 ILE HG1y 1.0 . 5.21 1092 1038 A 62 LEU H A 56 ILE HG1x 1.0 . 5.38 1093 1039 A 56 ILE HG1x A 57 THR H 1.0 . 5.50 1094 1040 A 54 TYR HBy A 56 ILE HG1x 1.0 . 5.43 1095 1041 A 7 GLN HE2x A 7 GLN HBx 1.0 . 5.50 1096 1042 A 3 MET HA A 7 GLN HBx 1.0 . 5.44 1097 1043 A 7 GLN HBx A 8 ASP HA 1.0 . 5.33 1098 1044 A 32 ARG HGy A 31 ASP HA 1.0 . 5.50 1099 1045 A 56 ILE H A 56 ILE HG1y 1.0 . 4.65 1100 1046 A 56 ILE HG1y A 35 TYR HBy 1.0 . 5.50 1101 1047 A 39 CYS HBy A 21 TRP HBy 1.0 . 4.32 1102 1048 A 46 LEU H A 46 LEU HG 1.0 . 5.50 1103 1049 A 46 LEU HA A 46 LEU HG 1.0 . 4.10 1104 1050 A 74 LEU HDy% A 46 LEU HG 1.0 . 5.50 1105 1051 A 74 LEU HDx% A 46 LEU HG 1.0 . 5.50 1106 1052 A 39 CYS H A 46 LEU HG 1.0 . 5.50 1107 1053 A 64 PHE HE% A 46 LEU HG 1.0 . 5.43 1108 1054 A 32 ARG HGx A 33 LYS H 1.0 . 5.50 1109 1055 A 14 LEU H A 13 ILE HG1y 1.0 . 5.50 1110 1056 A 13 ILE H A 13 ILE HG1y 1.0 . 4.15 1111 1057 A 9 PHE HE% A 13 ILE HG1y 1.0 . 5.50 1112 1058 A 10 VAL HA A 13 ILE HG1y 1.0 . 5.50 1113 1059 A 13 ILE HG1y A 12 ASP HBx 1.0 . 5.18 1114 1059 A 12 ASP HBy A 13 ILE HG1y 1.0 . 5.18 1115 1060 A 32 ARG HGx A 31 ASP HA 1.0 . 4.83 1116 1061 A 14 LEU H A 13 ILE HG1x 1.0 . 5.50 1117 1062 A 13 ILE HG1x A 9 PHE HZ 1.0 . 5.50 1118 1063 A 13 ILE HG1x A 12 ASP HBx 1.0 . 5.21 1119 1063 A 12 ASP HBy A 13 ILE HG1x 1.0 . 5.21 1120 1064 A 74 LEU HDy% A 13 ILE HG1x 1.0 . 5.50 1121 1065 A 19 ARG HGy A 19 ARG HA 1.0 . 3.99 1122 1066 A 53 LEU HDx% A 49 ASP H 1.0 . 5.50 1123 1067 A 53 LEU HDx% A 53 LEU HBy 1.0 . 3.35 1124 1068 A 67 VAL HGx% A 53 LEU HDx% 1.0 . 3.59 1125 1069 A 64 PHE HBx A 53 LEU HDx% 1.0 . 5.50 1126 1070 A 53 LEU HDx% A 67 VAL HB 1.0 . 5.50 1127 1071 A 75 GLU HA A 19 ARG HGy 1.0 . 3.95 1128 1072 A 62 LEU HDy% A 62 LEU HA 1.0 . 4.65 1129 1073 A 62 LEU HDy% A 62 LEU HBy 1.0 . 3.86 1130 1074 A 62 LEU HBx A 62 LEU HDy% 1.0 . 3.82 1131 1075 A 62 LEU HDy% A 64 PHE HE% 1.0 . 5.50 1132 1076 A 11 VAL HA A 14 LEU HG 1.0 . 4.56 1133 1077 A 10 VAL HGx% A 14 LEU HG 1.0 . 5.50 1134 1078 A 13 ILE H A 10 VAL HA 1.0 . 4.21 1135 1079 A 10 VAL HA A 9 PHE HD% 1.0 . 5.00 1136 1080 A 10 VAL HA A 9 PHE HBy 1.0 . 4.52 1137 1081 A 10 VAL HA A 13 ILE HB 1.0 . 3.96 1138 1082 A 10 VAL HA A 14 LEU HBx 1.0 . 5.09 1139 1083 A 10 VAL HA A 38 ILE HD1% 1.0 . 3.89 1140 1084 A 10 VAL HA A 10 VAL HGx% 1.0 . 3.59 1141 1085 A 13 ILE HD1% A 10 VAL HA 1.0 . 4.78 1142 1086 A 24 LEU HDx% A 26 THR H 1.0 . 5.50 1143 1087 A 11 VAL HA A 10 VAL HA 1.0 . 4.88 1144 1088 A 24 LEU H A 24 LEU HDx% 1.0 . 4.62 1145 1089 A 24 LEU HDx% A 45 TYR HD% 1.0 . 5.19 1146 1090 A 24 LEU HDx% A 45 TYR HE% 1.0 . 3.99 1147 1091 A 24 LEU HDx% A 39 CYS HA 1.0 . 5.50 1148 1092 A 26 THR HB A 24 LEU HDx% 1.0 . 4.87 1149 1093 A 24 LEU HBx A 24 LEU HDx% 1.0 . 3.10 1150 1094 A 9 PHE HD% A 6 VAL HA 1.0 . 5.15 1151 1095 A 9 PHE H A 6 VAL HA 1.0 . 4.42 1152 1096 A 9 PHE HBx A 6 VAL HA 1.0 . 4.61 1153 1097 A 67 VAL HGx% A 6 VAL HA 1.0 . 3.03 1154 1098 A 53 LEU HDx% A 6 VAL HA 1.0 . 4.40 1155 1099 A 14 LEU H A 14 LEU HDx% 1.0 . 4.73 1156 1100 A 12 ASP HA A 11 VAL HA 1.0 . 5.19 1157 1101 A 11 VAL HA A 14 LEU HBx 1.0 . 3.86 1158 1102 A 11 VAL HA A 10 VAL HGx% 1.0 . 4.54 1159 1103 A 47 CYS H A 46 LEU HDx% 1.0 . 5.18 1160 1104 A 64 PHE HZ A 46 LEU HDx% 1.0 . 5.40 1161 1105 A 46 LEU HA A 46 LEU HDx% 1.0 . 4.08 1162 1106 A 15 LEU H A 14 LEU HDx% 1.0 . 5.50 1163 1107 A 14 LEU HA A 14 LEU HDx% 1.0 . 4.54 1164 1108 A 11 VAL HA A 14 LEU HDx% 1.0 . 4.07 1165 1109 A 14 LEU HBy A 14 LEU HDx% 1.0 . 3.27 1166 1110 A 25 GLN HGy A 14 LEU HDx% 1.0 . 5.50 1167 1111 A 74 LEU HDy% A 74 LEU HBx 1.0 . 3.62 1168 1112 A 41 ARG HGy A 21 TRP H 1.0 . 5.48 1169 1113 A 64 PHE HE% A 46 LEU HDx% 1.0 . 3.99 1170 1114 A 46 LEU HBy A 46 LEU HDx% 1.0 . 4.06 1171 1115 A 74 LEU HDy% A 46 LEU HDx% 1.0 . 4.23 1172 1116 A 66 THR HA A 69 LYS HGx 1.0 . 5.50 1173 1117 A 69 LYS H A 69 LYS HGx 1.0 . 4.31 1174 1118 A 64 PHE HD% A 69 LYS HGx 1.0 . 5.50 1175 1119 A 69 LYS HA A 69 LYS HGx 1.0 . 4.11 1176 1120 A 68 SER HA A 69 LYS HGx 1.0 . 5.50 1177 1121 A 35 TYR HD% A 36 LYS HGx 1.0 . 5.50 1178 1122 A 38 ILE HG2% A 14 LEU HDx% 1.0 . 5.19 1179 1123 A 11 VAL HGy% A 14 LEU HDx% 1.0 . 4.14 1180 1124 A 74 LEU HDy% A 75 GLU H 1.0 . 5.35 1181 1125 A 74 LEU HDy% A 9 PHE HE% 1.0 . 4.81 1182 1126 A 74 LEU HBy A 74 LEU HDy% 1.0 . 3.92 1183 1127 A 74 LEU HDy% A 18 ALA HB% 1.0 . 4.40 1184 1128 A 74 LEU HDy% A 19 ARG HDx 1.0 . 5.33 1185 1128 A 74 LEU HDy% A 19 ARG HDy 1.0 . 5.33 1186 1129 A 74 LEU HDy% A 13 ILE HG1y 1.0 . 3.89 1187 1130 A 53 LEU HDy% A 67 VAL HGy% 1.0 . 4.63 1188 1131 A 46 LEU HBx A 46 LEU HDx% 1.0 . 3.63 1189 1132 A 69 LYS H A 67 VAL HA 1.0 . 4.73 1190 1133 A 67 VAL HA A 53 LEU HBy 1.0 . 5.11 1191 1134 A 53 LEU HDy% A 54 TYR H 1.0 . 4.21 1192 1135 A 53 LEU HDy% A 53 LEU H 1.0 . 4.85 1193 1136 A 53 LEU HDy% A 48 PHE HBy 1.0 . 3.76 1194 1137 A 53 LEU HDy% A 48 PHE HBx 1.0 . 3.67 1195 1138 A 53 LEU HDy% A 53 LEU HBy 1.0 . 3.32 1196 1139 A 63 LYS H A 62 LEU HG 1.0 . 5.50 1197 1140 A 64 PHE HE% A 62 LEU HG 1.0 . 4.22 1198 1141 A 64 PHE HZ A 62 LEU HG 1.0 . 4.45 1199 1142 A 62 LEU H A 62 LEU HG 1.0 . 5.22 1200 1143 A 67 VAL HA A 66 THR HA 1.0 . 5.09 1201 1144 A 67 VAL HA A 67 VAL HGy% 1.0 . 3.36 1202 1145 A 67 VAL HA A 53 LEU HDx% 1.0 . 3.83 1203 1146 A 64 PHE HE% A 46 LEU HDy% 1.0 . 3.85 1204 1147 A 74 LEU HDy% A 46 LEU HDy% 1.0 . 4.12 1205 1148 A 64 PHE HZ A 46 LEU HDy% 1.0 . 5.50 1206 1149 A 47 CYS H A 46 LEU HDy% 1.0 . 4.26 1207 1150 A 46 LEU H A 46 LEU HDy% 1.0 . 5.50 1208 1151 A 74 LEU HDx% A 46 LEU HDy% 1.0 . 5.32 1209 1152 A 62 LEU HDx% A 63 LYS HA 1.0 . 5.42 1210 1153 A 41 ARG H A 40 LYS HGx 1.0 . 4.87 1211 1154 A 62 LEU HDx% A 64 PHE HBx 1.0 . 5.50 1212 1155 A 62 LEU H A 62 LEU HDx% 1.0 . 5.50 1213 1156 A 62 LEU HDx% A 63 LYS HGx 1.0 . 4.11 1214 1157 A 62 LEU HBx A 62 LEU HDx% 1.0 . 3.86 1215 1158 A 39 CYS HBy A 23 VAL HA 1.0 . 3.61 1216 1159 A 39 CYS HBx A 23 VAL HA 1.0 . 3.87 1217 1160 A 23 VAL HA A 24 LEU HBy 1.0 . 5.01 1218 1161 A 14 LEU H A 11 VAL HGy% 1.0 . 5.11 1219 1162 A 11 VAL HGy% A 11 VAL H 1.0 . 3.32 1220 1163 A 12 ASP H A 11 VAL HGy% 1.0 . 4.22 1221 1164 A 11 VAL HA A 11 VAL HGy% 1.0 . 3.33 1222 1165 A 11 VAL HGy% A 10 VAL HB 1.0 . 4.37 1223 1166 A 14 LEU HBx A 11 VAL HGy% 1.0 . 4.09 1224 1167 A 11 VAL HGy% A 10 VAL HGx% 1.0 . 4.73 1225 1168 A 14 LEU HBx A 14 LEU HDy% 1.0 . 3.53 1226 1169 A 14 LEU HDy% A 25 GLN HE2x 1.0 . 4.34 1227 1170 A 38 ILE HG2% A 14 LEU HDy% 1.0 . 3.37 1228 1171 A 74 LEU HDx% A 74 LEU HBx 1.0 . 3.66 1229 1172 A 74 LEU HDx% A 46 LEU HDx% 1.0 . 4.18 1230 1173 A 40 LYS H A 23 VAL HGy% 1.0 . 5.50 1231 1174 A 24 LEU H A 23 VAL HGy% 1.0 . 4.35 1232 1175 A 39 CYS HA A 23 VAL HGy% 1.0 . 4.50 1233 1176 A 23 VAL HA A 23 VAL HGy% 1.0 . 3.33 1234 1177 A 23 VAL H A 23 VAL HGy% 1.0 . 3.38 1235 1178 A 14 LEU HA A 23 VAL HGy% 1.0 . 4.22 1236 1179 A 17 GLY HAx A 23 VAL HGy% 1.0 . 3.95 1237 1180 A 67 VAL H A 67 VAL HGx% 1.0 . 3.56 1238 1181 A 67 VAL HA A 67 VAL HGx% 1.0 . 3.37 1239 1182 A 67 VAL HGx% A 5 ALA HB% 1.0 . 3.62 1240 1183 A 67 VAL HGx% A 66 THR HB 1.0 . 4.77 1241 1184 A 67 VAL HGx% A 6 VAL H 1.0 . 3.53 1242 1185 A 60 VAL HGx% A 61 VAL HGx% 1.0 . 5.50 1243 1186 A 44 THR HG2% A 21 TRP HH2 1.0 . 3.75 1244 1187 A 21 TRP HZ3 A 44 THR HG2% 1.0 . 3.71 1245 1188 A 41 ARG HDx A 44 THR HG2% 1.0 . 4.47 1246 1189 A 57 THR H A 60 VAL HA 1.0 . 4.62 1247 1190 A 61 VAL H A 60 VAL HA 1.0 . 2.84 1248 1191 A 60 VAL HA A 59 ASP HBx 1.0 . 5.39 1249 1191 A 59 ASP HBy A 60 VAL HA 1.0 . 5.39 1250 1192 A 61 VAL HB A 60 VAL HA 1.0 . 4.65 1251 1193 A 60 VAL HGx% A 60 VAL HA 1.0 . 3.42 1252 1194 A 56 ILE HG2% A 60 VAL HA 1.0 . 4.65 1253 1195 A 67 VAL HGx% A 66 THR HG2% 1.0 . 4.88 1254 1196 A 10 VAL HGy% A 10 VAL H 1.0 . 3.41 1255 1197 A 10 VAL HGy% A 9 PHE HD% 1.0 . 4.44 1256 1198 A 48 PHE HBy A 10 VAL HGy% 1.0 . 4.67 1257 1199 A 10 VAL HGy% A 10 VAL HA 1.0 . 3.38 1258 1200 A 10 VAL HGy% A 7 GLN HGx 1.0 . 5.50 1259 1200 A 10 VAL HGy% A 7 GLN HGy 1.0 . 5.50 1260 1201 A 10 VAL HGy% A 13 ILE HB 1.0 . 5.50 1261 1202 A 53 LEU HDy% A 10 VAL HGy% 1.0 . 3.66 1262 1203 A 13 ILE HA A 17 GLY H 1.0 . 3.71 1263 1204 A 17 GLY HAy A 13 ILE HA 1.0 . 5.20 1264 1205 A 17 GLY HAx A 13 ILE HA 1.0 . 4.36 1265 1206 A 39 CYS HBy A 13 ILE HA 1.0 . 5.30 1266 1207 A 13 ILE HA A 12 ASP HBx 1.0 . 4.48 1267 1207 A 13 ILE HA A 12 ASP HBy 1.0 . 4.48 1268 1208 A 13 ILE HA A 23 VAL HGy% 1.0 . 5.39 1269 1209 A 13 ILE HA A 13 ILE HG1y 1.0 . 3.64 1270 1210 A 13 ILE HG2% A 13 ILE HA 1.0 . 3.56 1271 1211 A 13 ILE HD1% A 13 ILE HA 1.0 . 3.89 1272 1212 A 67 VAL H A 66 THR HG2% 1.0 . 4.28 1273 1213 A 69 LYS H A 66 THR HG2% 1.0 . 5.06 1274 1214 A 66 THR HG2% A 69 LYS HEy 1.0 . 5.20 1275 1215 A 69 LYS HGx A 66 THR HG2% 1.0 . 4.17 1276 1216 A 77 LYS H A 76 THR HA 1.0 . 2.74 1277 1217 A 76 THR HG2% A 76 THR HA 1.0 . 3.26 1278 1218 A 77 LYS HEx A 76 THR HA 1.0 . 5.50 1279 1219 A 27 THR HG2% A 36 LYS HEy 1.0 . 5.34 1280 1220 A 50 ASP HBy A 51 THR HA 1.0 . 4.58 1281 1221 A 4 THR HG2% A 7 GLN H 1.0 . 5.50 1282 1222 A 4 THR HG2% A 4 THR H 1.0 . 3.81 1283 1223 A 4 THR HG2% A 6 VAL H 1.0 . 5.50 1284 1224 A 76 THR HG2% A 77 LYS HDy 1.0 . 5.24 1285 1225 A 27 THR HG2% A 28 CYS H 1.0 . 4.15 1286 1226 A 27 THR HG2% A 27 THR H 1.0 . 4.42 1287 1227 A 27 THR HG2% A 36 LYS HA 1.0 . 3.71 1288 1228 A 27 THR HG2% A 36 LYS HGy 1.0 . 3.01 1289 1229 A 27 THR HG2% A 36 LYS HBy 1.0 . 3.69 1290 1230 A 67 VAL H A 67 VAL HGy% 1.0 . 4.43 1291 1231 A 68 SER H A 67 VAL HGy% 1.0 . 4.66 1292 1232 A 10 VAL H A 67 VAL HGy% 1.0 . 5.34 1293 1233 A 9 PHE H A 67 VAL HGy% 1.0 . 4.66 1294 1234 A 9 PHE HBx A 67 VAL HGy% 1.0 . 3.47 1295 1235 A 53 LEU HDx% A 67 VAL HGy% 1.0 . 4.01 1296 1236 A 31 ASP HBy A 30 VAL HGx% 1.0 . 3.89 1297 1237 A 44 THR HA A 45 TYR HBy 1.0 . 4.27 1298 1238 A 44 THR HA A 45 TYR H 1.0 . 3.01 1299 1239 A 44 THR HA A 57 THR H 1.0 . 5.50 1300 1240 A 44 THR HG2% A 44 THR HA 1.0 . 3.66 1301 1241 A 44 THR HA A 57 THR HG2% 1.0 . 4.20 1302 1242 A 52 ASN H A 51 THR HG2% 1.0 . 4.98 1303 1243 A 51 THR HG2% A 51 THR HA 1.0 . 3.29 1304 1244 A 60 VAL H A 60 VAL HGy% 1.0 . 3.49 1305 1245 A 60 VAL HGy% A 59 ASP HA 1.0 . 5.11 1306 1246 A 60 VAL HGy% A 60 VAL HA 1.0 . 3.29 1307 1247 A 60 VAL HGy% A 59 ASP HBx 1.0 . 4.72 1308 1247 A 59 ASP HBy A 60 VAL HGy% 1.0 . 4.72 1309 1248 A 45 TYR HBx A 37 THR HG2% 1.0 . 4.06 1310 1249 A 35 TYR HE% A 30 VAL HGy% 1.0 . 4.89 1311 1250 A 62 LEU HBx A 60 VAL HGx% 1.0 . 3.58 1312 1251 A 56 ILE HD1% A 30 VAL HGy% 1.0 . 5.50 1313 1252 A 30 VAL HGy% A 59 ASP HBx 1.0 . 4.61 1314 1252 A 59 ASP HBy A 30 VAL HGy% 1.0 . 4.61 1315 1253 A 76 THR HG2% A 77 LYS HEx 1.0 . 5.50 1316 1254 A 77 LYS H A 76 THR HG2% 1.0 . 3.95 1317 1255 A 77 LYS HBy A 76 THR HG2% 1.0 . 4.02 1318 1256 A 4 THR HG2% A 5 ALA HB% 1.0 . 3.81 1319 1257 A 77 LYS HDx A 76 THR HG2% 1.0 . 3.92 1320 1258 A 19 ARG HBx A 18 ALA HB% 1.0 . 4.87 1321 1259 A 11 VAL H A 11 VAL HGx% 1.0 . 5.50 1322 1260 A 18 ALA HB% A 18 ALA H 1.0 . 3.45 1323 1261 A 21 TRP HD1 A 18 ALA HB% 1.0 . 4.78 1324 1262 A 18 ALA HB% A 21 TRP HBy 1.0 . 4.20 1325 1263 A 74 LEU HDx% A 18 ALA HB% 1.0 . 5.05 1326 1264 A 37 THR HG2% A 26 THR HG2% 1.0 . 3.41 1327 1265 A 31 ASP H A 30 VAL HGy% 1.0 . 4.15 1328 1266 A 56 ILE HG2% A 30 VAL HGy% 1.0 . 3.46 1329 1267 A 9 PHE HBy A 6 VAL HGx% 1.0 . 5.34 1330 1268 A 31 ASP H A 30 VAL HGx% 1.0 . 5.45 1331 1269 A 35 TYR HD% A 34 VAL HGx% 1.0 . 4.85 1332 1270 A 35 TYR HE% A 30 VAL HGx% 1.0 . 4.47 1333 1271 A 59 ASP HA A 30 VAL HGx% 1.0 . 3.58 1334 1272 A 30 VAL HGx% A 30 VAL HA 1.0 . 3.65 1335 1273 A 56 ILE HD1% A 30 VAL HGx% 1.0 . 4.09 1336 1274 A 35 TYR HBy A 34 VAL HGx% 1.0 . 4.63 1337 1275 A 56 ILE HG1y A 61 VAL HGy% 1.0 . 4.67 1338 1276 A 37 THR HA A 45 TYR HBx 1.0 . 4.74 1339 1277 A 68 SER HA A 9 PHE HBx 1.0 . 5.13 1340 1278 A 18 ALA HB% A 13 ILE HG2% 1.0 . 4.75 1341 1279 A 37 THR H A 37 THR HG2% 1.0 . 3.59 1342 1280 A 5 ALA HB% A 6 VAL HGx% 1.0 . 4.75 1343 1281 A 35 TYR H A 34 VAL HGx% 1.0 . 3.91 1344 1282 A 34 VAL H A 34 VAL HGx% 1.0 . 4.31 1345 1283 A 29 THR HA A 34 VAL HGx% 1.0 . 4.22 1346 1284 A 34 VAL HA A 34 VAL HGx% 1.0 . 3.53 1347 1285 A 27 THR HG2% A 34 VAL HGx% 1.0 . 3.87 1348 1286 A 62 LEU H A 61 VAL HGy% 1.0 . 3.80 1349 1287 A 61 VAL H A 61 VAL HGy% 1.0 . 4.50 1350 1288 A 56 ILE HA A 61 VAL HGy% 1.0 . 4.15 1351 1289 A 62 LEU HA A 61 VAL HGy% 1.0 . 5.50 1352 1290 A 61 VAL HGy% A 61 VAL HA 1.0 . 3.69 1353 1291 A 54 TYR HBy A 61 VAL HGy% 1.0 . 4.04 1354 1292 A 56 ILE HD1% A 61 VAL HGy% 1.0 . 4.23 1355 1293 A 14 LEU HBx A 10 VAL HGx% 1.0 . 4.66 1356 1294 A 38 ILE H A 37 THR HA 1.0 . 3.16 1357 1295 A 37 THR HA A 39 CYS H 1.0 . 3.93 1358 1296 A 37 THR HA A 47 CYS HBy 1.0 . 4.34 1359 1297 A 37 THR HA A 37 THR HG2% 1.0 . 3.62 1360 1298 A 68 SER HA A 71 ARG HBy 1.0 . 4.17 1361 1299 A 68 SER HA A 71 ARG HBx 1.0 . 4.96 1362 1300 A 6 VAL HA A 6 VAL HGx% 1.0 . 3.46 1363 1301 A 10 VAL HGy% A 6 VAL HGx% 1.0 . 3.48 1364 1302 A 10 VAL HGx% A 14 LEU HDx% 1.0 . 3.77 1365 1303 A 7 GLN H A 4 THR HA 1.0 . 5.01 1366 1304 A 4 THR HB A 4 THR HA 1.0 . 2.93 1367 1305 A 7 GLN HBy A 4 THR HA 1.0 . 4.52 1368 1306 A 4 THR HG2% A 4 THR HA 1.0 . 3.28 1369 1307 A 6 VAL H A 4 THR HA 1.0 . 4.91 1370 1308 A 35 TYR H A 34 VAL HA 1.0 . 3.06 1371 1309 A 34 VAL HA A 35 TYR HD% 1.0 . 4.22 1372 1310 A 34 VAL HGy% A 34 VAL HA 1.0 . 3.31 1373 1311 A 35 TYR HBy A 34 VAL HA 1.0 . 4.69 1374 1312 A 31 ASP H A 30 VAL HA 1.0 . 3.13 1375 1313 A 33 LYS H A 30 VAL HA 1.0 . 5.50 1376 1314 A 29 THR HA A 30 VAL HA 1.0 . 4.60 1377 1315 A 30 VAL HA A 30 VAL HGy% 1.0 . 3.20 1378 1316 A 10 VAL HGx% A 7 GLN HGx 1.0 . 5.50 1379 1316 A 7 GLN HGy A 10 VAL HGx% 1.0 . 5.50 1380 1317 A 54 TYR HBy A 61 VAL HA 1.0 . 4.54 1381 1318 A 34 VAL HA A 29 THR HG2% 1.0 . 4.67 1382 1319 A 32 ARG HA A 29 THR HG2% 1.0 . 3.72 1383 1320 A 14 LEU H A 10 VAL HGx% 1.0 . 5.30 1384 1321 A 10 VAL H A 10 VAL HGx% 1.0 . 4.12 1385 1322 A 10 VAL HGx% A 48 PHE HE% 1.0 . 4.45 1386 1323 A 13 ILE HD1% A 10 VAL HGx% 1.0 . 5.28 1387 1324 A 62 LEU H A 61 VAL HA 1.0 . 3.03 1388 1325 A 61 VAL HA A 60 VAL HA 1.0 . 4.44 1389 1326 A 61 VAL HA A 56 ILE HG1x 1.0 . 2.97 1390 1327 A 56 ILE HD1% A 61 VAL HA 1.0 . 4.69 1391 1328 A 56 ILE H A 55 ALA HB% 1.0 . 3.83 1392 1329 A 55 ALA H A 55 ALA HB% 1.0 . 3.63 1393 1330 A 64 PHE HE% A 55 ALA HB% 1.0 . 3.73 1394 1331 A 44 THR HG2% A 57 THR HG2% 1.0 . 3.56 1395 1332 A 55 ALA HB% A 62 LEU HG 1.0 . 3.91 1396 1333 A 34 VAL H A 29 THR HA 1.0 . 5.08 1397 1334 A 35 TYR HE% A 29 THR HA 1.0 . 4.58 1398 1335 A 35 TYR H A 29 THR HA 1.0 . 3.94 1399 1336 A 30 VAL H A 29 THR HA 1.0 . 2.91 1400 1337 A 34 VAL HA A 29 THR HA 1.0 . 3.30 1401 1338 A 29 THR HG2% A 29 THR HA 1.0 . 3.40 1402 1339 A 72 ALA HB% A 73 TYR HA 1.0 . 4.50 1403 1340 A 73 TYR HA A 46 LEU HDx% 1.0 . 5.46 1404 1341 A 56 ILE HA A 61 VAL HA 1.0 . 3.62 1405 1342 A 56 ILE HA A 56 ILE HG1y 1.0 . 3.81 1406 1343 A 56 ILE HA A 56 ILE HG1x 1.0 . 3.10 1407 1344 A 56 ILE HA A 56 ILE HD1% 1.0 . 4.57 1408 1345 A 56 ILE HA A 59 ASP HA 1.0 . 5.50 1409 1346 A 73 TYR HA A 73 TYR HBy 1.0 . 3.02 1410 1347 A 76 THR HG2% A 73 TYR HA 1.0 . 4.26 1411 1348 A 54 TYR HBx A 55 ALA HB% 1.0 . 5.50 1412 1349 A 60 VAL H A 57 THR HA 1.0 . 5.50 1413 1350 A 38 ILE HA A 26 THR H 1.0 . 4.81 1414 1351 A 9 PHE HA A 12 ASP HBx 1.0 . 3.28 1415 1351 A 12 ASP HBy A 9 PHE HA 1.0 . 3.28 1416 1352 A 58 GLY H A 57 THR HA 1.0 . 3.17 1417 1353 A 44 THR HA A 57 THR HA 1.0 . 3.60 1418 1354 A 44 THR HG2% A 57 THR HA 1.0 . 4.69 1419 1355 A 57 THR HG2% A 57 THR HA 1.0 . 3.47 1420 1356 A 66 THR HA A 65 ALA HB% 1.0 . 4.29 1421 1357 A 65 ALA HB% A 69 LYS HEy 1.0 . 5.50 1422 1358 A 69 LYS HGy A 65 ALA HB% 1.0 . 3.72 1423 1359 A 63 LYS HEx A 65 ALA HB% 1.0 . 5.50 1424 1360 A 65 ALA HB% A 69 LYS HDy 1.0 . 4.88 1425 1361 A 74 LEU HDx% A 70 ALA HB% 1.0 . 5.50 1426 1362 A 69 LYS H A 70 ALA HB% 1.0 . 4.72 1427 1363 A 70 ALA HB% A 53 LEU HA 1.0 . 5.50 1428 1364 A 67 VAL HA A 70 ALA HB% 1.0 . 3.97 1429 1365 A 70 ALA HB% A 53 LEU HDx% 1.0 . 3.76 1430 1366 A 70 ALA HB% A 71 ARG HA 1.0 . 5.41 1431 1367 A 64 PHE HA A 70 ALA HB% 1.0 . 5.50 1432 1368 A 9 PHE H A 5 ALA HB% 1.0 . 5.50 1433 1369 A 13 ILE HA A 38 ILE HG2% 1.0 . 5.50 1434 1370 A 10 VAL HGy% A 38 ILE HG2% 1.0 . 5.38 1435 1371 A 38 ILE H A 38 ILE HG2% 1.0 . 3.89 1436 1372 A 47 CYS HA A 38 ILE HG2% 1.0 . 5.50 1437 1373 A 38 ILE HA A 38 ILE HG2% 1.0 . 3.81 1438 1374 A 14 LEU HBx A 38 ILE HG2% 1.0 . 3.47 1439 1375 A 13 ILE HG2% A 38 ILE HG2% 1.0 . 3.71 1440 1376 A 13 ILE HD1% A 38 ILE HG2% 1.0 . 5.30 1441 1377 A 27 THR HA A 36 LYS HBy 1.0 . 4.94 1442 1378 A 23 VAL HA A 38 ILE HG2% 1.0 . 5.50 1443 1379 A 27 THR HA A 36 LYS HA 1.0 . 3.31 1444 1380 A 27 THR HA A 28 CYS HBx 1.0 . 5.13 1445 1381 A 27 THR HA A 28 CYS H 1.0 . 2.91 1446 1382 A 37 THR H A 27 THR HA 1.0 . 3.72 1447 1383 A 35 TYR HBy A 27 THR HA 1.0 . 5.50 1448 1384 A 27 THR HG2% A 27 THR HA 1.0 . 3.40 1449 1385 A 5 ALA H A 5 ALA HB% 1.0 . 3.56 1450 1386 A 5 ALA HB% A 6 VAL H 1.0 . 3.80 1451 1387 A 5 ALA HB% A 6 VAL HA 1.0 . 4.83 1452 1388 A 5 ALA HB% A 8 ASP HBx 1.0 . 4.39 1453 1388 A 8 ASP HBy A 5 ALA HB% 1.0 . 4.39 1454 1389 A 6 VAL HB A 5 ALA HB% 1.0 . 4.04 1455 1390 A 53 LEU HDx% A 5 ALA HB% 1.0 . 5.50 1456 1391 A 26 THR H A 26 THR HG2% 1.0 . 3.32 1457 1392 A 26 THR HG2% A 26 THR HA 1.0 . 3.71 1458 1393 A 45 TYR HBx A 26 THR HG2% 1.0 . 5.50 1459 1394 A 24 LEU HBx A 26 THR HG2% 1.0 . 3.60 1460 1395 A 13 ILE HG2% A 13 ILE H 1.0 . 4.47 1461 1396 A 13 ILE HG2% A 18 ALA HA 1.0 . 5.50 1462 1397 A 13 ILE HG2% A 17 GLY HAy 1.0 . 4.74 1463 1398 A 13 ILE HG2% A 14 LEU HA 1.0 . 5.50 1464 1399 A 13 ILE HG2% A 23 VAL HGy% 1.0 . 3.42 1465 1400 A 13 ILE HG2% A 13 ILE HD1% 1.0 . 3.85 1466 1401 A 13 ILE HG2% A 13 ILE HG1y 1.0 . 3.73 1467 1402 A 74 LEU HDy% A 13 ILE HG2% 1.0 . 4.24 1468 1403 A 71 ARG HA A 71 ARG HDy 1.0 . 3.71 1469 1404 A 71 ARG HA A 71 ARG HBy 1.0 . 3.01 1470 1405 A 74 LEU HDy% A 71 ARG HA 1.0 . 4.19 1471 1406 A 74 LEU HDx% A 71 ARG HA 1.0 . 5.50 1472 1407 A 7 GLN HA A 10 VAL H 1.0 . 3.70 1473 1408 A 7 GLN HA A 7 GLN HGx 1.0 . 3.34 1474 1408 A 7 GLN HA A 7 GLN HGy 1.0 . 3.34 1475 1409 A 7 GLN HA A 10 VAL HB 1.0 . 3.22 1476 1410 A 7 GLN HA A 6 VAL HGx% 1.0 . 3.99 1477 1411 A 7 GLN HA A 10 VAL HGy% 1.0 . 3.93 1478 1412 A 72 ALA HB% A 72 ALA H 1.0 . 3.04 1479 1413 A 72 ALA HB% A 73 TYR HBy 1.0 . 4.49 1480 1414 A 72 ALA HB% A 71 ARG HBy 1.0 . 3.97 1481 1415 A 72 ALA HB% A 69 LYS HBx 1.0 . 4.32 1482 1415 A 69 LYS HBy A 72 ALA HB% 1.0 . 4.32 1483 1416 A 72 ALA HB% A 69 LYS HA 1.0 . 3.40 1484 1417 A 20 ASP H A 19 ARG HA 1.0 . 2.82 1485 1418 A 19 ARG HA A 19 ARG HDx 1.0 . 4.41 1486 1418 A 19 ARG HDy A 19 ARG HA 1.0 . 4.41 1487 1419 A 19 ARG HBy A 19 ARG HA 1.0 . 2.98 1488 1420 A 18 ALA HB% A 19 ARG HA 1.0 . 5.33 1489 1421 A 19 ARG HA A 20 ASP HBx 1.0 . 5.50 1490 1422 A 26 THR HA A 25 GLN HBx 1.0 . 4.58 1491 1423 A 66 THR HA A 53 LEU H 1.0 . 5.50 1492 1424 A 64 PHE HD% A 69 LYS HA 1.0 . 5.32 1493 1425 A 70 ALA HB% A 69 LYS HA 1.0 . 5.28 1494 1426 A 13 ILE HA A 14 LEU HA 1.0 . 4.71 1495 1427 A 62 LEU H A 56 ILE HG2% 1.0 . 5.50 1496 1428 A 56 ILE HG2% A 45 TYR HD% 1.0 . 5.50 1497 1429 A 56 ILE HG2% A 61 VAL HA 1.0 . 4.58 1498 1430 A 38 ILE HG2% A 14 LEU HA 1.0 . 3.61 1499 1431 A 14 LEU HA A 14 LEU HDy% 1.0 . 3.08 1500 1432 A 31 ASP H A 32 ARG HA 1.0 . 5.29 1501 1433 A 56 ILE HG2% A 58 GLY H 1.0 . 4.17 1502 1434 A 56 ILE HA A 56 ILE HG2% 1.0 . 3.69 1503 1435 A 56 ILE HG1y A 56 ILE HG2% 1.0 . 4.11 1504 1436 A 56 ILE HD1% A 56 ILE HG2% 1.0 . 3.59 1505 1437 A 56 ILE HG2% A 58 GLY HAy 1.0 . 5.50 1506 1438 A 30 VAL HB A 56 ILE HG2% 1.0 . 5.41 1507 1439 A 66 THR HA A 67 VAL HB 1.0 . 4.95 1508 1440 A 66 THR HA A 66 THR HG2% 1.0 . 3.69 1509 1441 A 69 LYS HEx A 69 LYS HA 1.0 . 5.48 1510 1442 A 66 THR HB A 69 LYS HA 1.0 . 4.93 1511 1443 A 32 ARG HA A 31 ASP HA 1.0 . 5.01 1512 1444 A 32 ARG HGx A 32 ARG HA 1.0 . 3.22 1513 1445 A 32 ARG HA A 32 ARG HGy 1.0 . 3.32 1514 1446 A 67 VAL H A 66 THR HA 1.0 . 3.17 1515 1447 A 64 PHE HD% A 64 PHE HA 1.0 . 3.42 1516 1448 A 64 PHE HA A 69 LYS HBx 1.0 . 4.43 1517 1448 A 69 LYS HBy A 64 PHE HA 1.0 . 4.43 1518 1449 A 64 PHE HA A 65 ALA HB% 1.0 . 4.65 1519 1450 A 38 ILE HA A 47 CYS HA 1.0 . 5.50 1520 1451 A 52 ASN H A 50 ASP HA 1.0 . 5.50 1521 1452 A 12 ASP HA A 16 ASN HD2x 1.0 . 3.96 1522 1453 A 13 ILE HA A 12 ASP HA 1.0 . 5.03 1523 1454 A 12 ASP HA A 12 ASP HBx 1.0 . 2.82 1524 1454 A 12 ASP HA A 12 ASP HBy 1.0 . 2.82 1525 1455 A 48 PHE H A 47 CYS HA 1.0 . 3.14 1526 1456 A 48 PHE HA A 47 CYS HA 1.0 . 5.17 1527 1457 A 37 THR HA A 47 CYS HA 1.0 . 3.21 1528 1458 A 47 CYS HA A 38 ILE HG1y 1.0 . 4.19 1529 1459 A 47 CYS HA A 38 ILE HG1x 1.0 . 5.11 1530 1460 A 47 CYS HA A 38 ILE HD1% 1.0 . 4.24 1531 1461 A 67 VAL HGx% A 66 THR HA 1.0 . 5.25 1532 1462 A 49 ASP HBy A 50 ASP HA 1.0 . 4.43 1533 1463 A 51 THR HG2% A 50 ASP HA 1.0 . 5.46 1534 1464 A 48 PHE HD% A 50 ASP HA 1.0 . 5.26 1535 1465 A 21 TRP HE1 A 74 LEU HA 1.0 . 3.49 1536 1466 A 74 LEU HDy% A 74 LEU HA 1.0 . 4.21 1537 1467 A 74 LEU HDx% A 74 LEU HA 1.0 . 3.61 1538 1468 A 39 CYS H A 47 CYS HA 1.0 . 5.50 1539 1469 A 28 CYS HA A 29 THR H 1.0 . 2.86 1540 1470 A 28 CYS HA A 27 THR HA 1.0 . 4.42 1541 1471 A 28 CYS HA A 37 THR HG2% 1.0 . 4.74 1542 1472 A 8 ASP HA A 8 ASP HBx 1.0 . 2.92 1543 1472 A 8 ASP HBy A 8 ASP HA 1.0 . 2.92 1544 1473 A 11 VAL HGy% A 8 ASP HA 1.0 . 3.71 1545 1474 A 21 TRP HA A 22 ASP H 1.0 . 3.26 1546 1475 A 41 ARG HGy A 21 TRP HA 1.0 . 4.64 1547 1476 A 75 GLU HA A 75 GLU HBy 1.0 . 2.81 1548 1477 A 44 THR HA A 45 TYR HA 1.0 . 5.50 1549 1478 A 41 ARG HBy A 21 TRP HA 1.0 . 4.51 1550 1479 A 36 LYS H A 35 TYR HA 1.0 . 2.99 1551 1480 A 34 VAL HGx% A 35 TYR HA 1.0 . 4.40 1552 1481 A 37 THR HA A 38 ILE HD1% 1.0 . 5.50 1553 1482 A 45 TYR HA A 40 LYS HGx 1.0 . 5.11 1554 1483 A 46 LEU H A 45 TYR HA 1.0 . 3.06 1555 1484 A 41 ARG H A 45 TYR HA 1.0 . 4.30 1556 1485 A 46 LEU HBy A 45 TYR HA 1.0 . 4.97 1557 1486 A 56 ILE HD1% A 35 TYR HA 1.0 . 5.28 1558 1487 A 19 ARG HBx A 20 ASP HA 1.0 . 5.27 1559 1488 A 38 ILE H A 38 ILE HD1% 1.0 . 4.60 1560 1489 A 39 CYS H A 38 ILE HD1% 1.0 . 5.50 1561 1490 A 38 ILE HA A 38 ILE HD1% 1.0 . 4.88 1562 1491 A 14 LEU HA A 38 ILE HD1% 1.0 . 5.50 1563 1492 A 48 PHE HBy A 38 ILE HD1% 1.0 . 5.23 1564 1493 A 48 PHE HBx A 38 ILE HD1% 1.0 . 3.98 1565 1494 A 10 VAL HGx% A 38 ILE HD1% 1.0 . 3.94 1566 1495 A 10 VAL HGy% A 38 ILE HD1% 1.0 . 4.11 1567 1496 A 49 ASP H A 48 PHE HA 1.0 . 3.10 1568 1497 A 48 PHE HA A 53 LEU H 1.0 . 5.50 1569 1498 A 53 LEU HA A 48 PHE HA 1.0 . 3.45 1570 1499 A 48 PHE HA A 49 ASP HA 1.0 . 5.20 1571 1500 A 48 PHE HA A 53 LEU HG 1.0 . 5.50 1572 1501 A 53 LEU HDy% A 48 PHE HA 1.0 . 3.97 1573 1502 A 53 LEU HDx% A 48 PHE HA 1.0 . 5.50 1574 1503 A 40 LYS H A 39 CYS HA 1.0 . 3.17 1575 1504 A 24 LEU H A 39 CYS HA 1.0 . 3.20 1576 1505 A 23 VAL HA A 39 CYS HA 1.0 . 3.21 1577 1506 A 23 VAL HB A 39 CYS HA 1.0 . 5.50 1578 1507 A 24 LEU HBx A 39 CYS HA 1.0 . 3.89 1579 1508 A 47 CYS HBx A 36 LYS HA 1.0 . 3.97 1580 1509 A 3 MET HA A 7 GLN HBy 1.0 . 3.23 1581 1510 A 37 THR HA A 36 LYS HA 1.0 . 5.34 1582 1511 A 42 GLY H A 41 ARG HA 1.0 . 3.48 1583 1512 A 41 ARG HDx A 41 ARG HA 1.0 . 5.05 1584 1513 A 41 ARG HA A 41 ARG HGx 1.0 . 3.79 1585 1514 A 54 TYR HA A 55 ALA H 1.0 . 3.02 1586 1515 A 54 TYR HA A 63 LYS H 1.0 . 5.50 1587 1516 A 54 TYR HA A 64 PHE H 1.0 . 3.86 1588 1517 A 54 TYR HA A 63 LYS HA 1.0 . 3.51 1589 1518 A 54 TYR HA A 55 ALA HB% 1.0 . 4.81 1590 1519 A 54 TYR HA A 61 VAL HGy% 1.0 . 4.95 1591 1520 A 28 CYS H A 36 LYS HA 1.0 . 4.75 1592 1521 A 37 THR H A 36 LYS HA 1.0 . 3.09 1593 1522 A 27 THR HB A 36 LYS HA 1.0 . 5.03 1594 1523 A 25 GLN H A 24 LEU HA 1.0 . 2.82 1595 1524 A 24 LEU HA A 39 CYS HA 1.0 . 5.07 1596 1525 A 24 LEU HA A 24 LEU HBy 1.0 . 2.93 1597 1526 A 24 LEU HDx% A 24 LEU HA 1.0 . 3.37 1598 1527 A 41 ARG HDy A 41 ARG HA 1.0 . 4.75 1599 1528 A 41 ARG HGy A 41 ARG HA 1.0 . 3.71 1600 1529 A 54 TYR HA A 56 ILE HD1% 1.0 . 5.50 1601 1530 A 36 LYS HEy A 36 LYS HA 1.0 . 5.11 1602 1531 A 32 ARG H A 31 ASP HA 1.0 . 3.29 1603 1532 A 33 LYS H A 31 ASP HA 1.0 . 4.49 1604 1533 A 24 LEU HA A 25 GLN HA 1.0 . 4.34 1605 1534 A 24 LEU HBx A 25 GLN HA 1.0 . 5.21 1606 1535 A 34 VAL H A 33 LYS HA 1.0 . 2.73 1607 1536 A 35 TYR HE% A 33 LYS HA 1.0 . 5.50 1608 1537 A 33 LYS HGy A 33 LYS HA 1.0 . 3.61 1609 1538 A 40 LYS HA A 41 ARG HA 1.0 . 4.67 1610 1539 A 39 CYS HBx A 40 LYS HA 1.0 . 5.03 1611 1540 A 40 LYS HGy A 40 LYS HA 1.0 . 3.98 1612 1541 A 25 GLN HGy A 25 GLN HA 1.0 . 3.83 1613 1542 A 32 ARG HA A 33 LYS HA 1.0 . 5.50 1614 1543 A 55 ALA H A 63 LYS HA 1.0 . 4.27 1615 1544 A 41 ARG H A 40 LYS HA 1.0 . 3.13 1616 1545 A 21 TRP HE3 A 40 LYS HA 1.0 . 3.93 1617 1546 A 21 TRP HZ3 A 40 LYS HA 1.0 . 3.88 1618 1547 A 40 LYS HA A 45 TYR HA 1.0 . 3.40 1619 1548 A 40 LYS HA A 40 LYS HEy 1.0 . 5.22 1620 1549 A 9 PHE H A 5 ALA HA 1.0 . 5.11 1621 1550 A 4 THR HG2% A 5 ALA HA 1.0 . 5.50 1622 1551 A 5 ALA HA A 8 ASP HBx 1.0 . 3.25 1623 1551 A 8 ASP HBy A 5 ALA HA 1.0 . 3.25 1624 1552 A 67 VAL HGx% A 5 ALA HA 1.0 . 4.71 1625 1553 A 75 GLU HGy A 72 ALA HA 1.0 . 4.37 1626 1554 A 75 GLU HGx A 72 ALA HA 1.0 . 3.87 1627 1555 A 52 ASN HD2y A 63 LYS HA 1.0 . 4.07 1628 1556 A 66 THR HG2% A 65 ALA HA 1.0 . 5.50 1629 1557 A 64 PHE HA A 65 ALA HA 1.0 . 4.69 1630 1558 A 47 CYS H A 46 LEU HA 1.0 . 2.98 1631 1559 A 46 LEU HA A 46 LEU HDy% 1.0 . 3.64 1632 1560 A 70 ALA HA A 46 LEU HDx% 1.0 . 5.05 1633 1561 A 16 ASN HD2y A 16 ASN HA 1.0 . 4.81 1634 1562 A 15 LEU H A 16 ASN HA 1.0 . 5.43 1635 1563 A 16 ASN HD2x A 16 ASN HA 1.0 . 4.85 1636 1564 A 70 ALA HA A 74 LEU H 1.0 . 5.27 1637 1565 A 70 ALA HA A 71 ARG HA 1.0 . 5.50 1638 1566 A 70 ALA HA A 73 TYR HBx 1.0 . 3.37 1639 1567 A 70 ALA HA A 69 LYS HBx 1.0 . 4.63 1640 1567 A 69 LYS HBy A 70 ALA HA 1.0 . 4.63 1641 1568 A 72 ALA HB% A 70 ALA HA 1.0 . 5.28 1642 1569 A 16 ASN HA A 16 ASN HBx 1.0 . 3.00 1643 1569 A 16 ASN HBy A 16 ASN HA 1.0 . 3.00 1644 1570 A 15 LEU HBy A 16 ASN HA 1.0 . 4.50 1645 1571 A 47 CYS H A 53 LEU HA 1.0 . 5.50 1646 1572 A 53 LEU HA A 54 TYR H 1.0 . 3.16 1647 1573 A 54 TYR HD% A 53 LEU HA 1.0 . 4.64 1648 1574 A 53 LEU HA A 48 PHE HBy 1.0 . 4.28 1649 1575 A 53 LEU HA A 48 PHE HBx 1.0 . 4.34 1650 1576 A 53 LEU HA A 53 LEU HG 1.0 . 3.84 1651 1577 A 53 LEU HDy% A 53 LEU HA 1.0 . 3.63 1652 1578 A 53 LEU HDx% A 53 LEU HA 1.0 . 4.64 1653 1579 A 52 ASN HA A 53 LEU H 1.0 . 3.00 1654 1580 A 52 ASN HD2y A 52 ASN HA 1.0 . 4.33 1655 1581 A 53 LEU HA A 52 ASN HA 1.0 . 4.42 1656 1582 A 67 VAL HGx% A 52 ASN HA 1.0 . 3.70 1657 1583 A 53 LEU HDx% A 52 ASN HA 1.0 . 5.36 1658 1584 A 59 ASP HA A 59 ASP HBx 1.0 . 2.78 1659 1584 A 59 ASP HBy A 59 ASP HA 1.0 . 2.78 1660 1585 A 59 ASP HA A 30 VAL HGy% 1.0 . 3.44 1661 1586 A 62 LEU HA A 63 LYS H 1.0 . 2.89 1662 1587 A 62 LEU HA A 61 VAL HA 1.0 . 4.87 1663 1588 A 62 LEU HA A 61 VAL HGx% 1.0 . 4.36 1664 1589 A 62 LEU HA A 62 LEU HDx% 1.0 . 3.63 1665 1590 A 22 ASP HA A 40 LYS H 1.0 . 5.50 1666 1591 A 22 ASP HA A 23 VAL H 1.0 . 2.78 1667 1592 A 22 ASP HA A 23 VAL HA 1.0 . 4.61 1668 1593 A 22 ASP HA A 23 VAL HGy% 1.0 . 4.08 1669 1594 A 22 ASP HA A 23 VAL HB 1.0 . 4.65 1670 1595 A 59 ASP HA A 57 THR H 1.0 . 5.50 1671 1596 A 22 ASP HA A 39 CYS HA 1.0 . 5.50 1672 1597 A 62 LEU H A 56 ILE HD1% 1.0 . 5.50 1673 1598 A 35 TYR HE% A 56 ILE HD1% 1.0 . 4.82 1674 1599 A 54 TYR HBy A 56 ILE HD1% 1.0 . 4.48 1675 1600 A 42 GLY HAy A 43 ASN HA 1.0 . 4.79 1676 1601 A 45 TYR HE% A 43 ASN HA 1.0 . 4.63 1677 1602 A 42 GLY HAx A 43 ASN HA 1.0 . 5.17 1678 1603 A 13 ILE HD1% A 13 ILE H 1.0 . 4.59 1679 1604 A 13 ILE HD1% A 12 ASP HBx 1.0 . 5.24 1680 1604 A 13 ILE HD1% A 12 ASP HBy 1.0 . 5.24 1681 1605 A 13 ILE HD1% A 10 VAL HGy% 1.0 . 4.33 1682 1606 A 19 ARG H A 18 ALA HA 1.0 . 2.82 1683 1607 A 18 ALA HA A 19 ARG HDx 1.0 . 5.50 1684 1607 A 19 ARG HDy A 18 ALA HA 1.0 . 5.50 1685 1608 A 55 ALA HA A 54 TYR HBy 1.0 . 5.09 1686 1609 A 55 ALA HA A 47 CYS H 1.0 . 4.03 1687 1610 A 56 ILE H A 55 ALA HA 1.0 . 3.00 1688 1611 A 55 ALA HA A 57 THR H 1.0 . 5.50 1689 1612 A 54 TYR HA A 55 ALA HA 1.0 . 4.91 1690 1613 A 55 ALA HA A 56 ILE HA 1.0 . 4.99 1691 1614 A 55 ALA HA A 46 LEU HDx% 1.0 . 4.17 1692 1615 A 55 ALA HA A 56 ILE HD1% 1.0 . 5.50 1693 1616 A 2 HIS HBx A 2 HIS HE1 1.0 . 4.90 1694 1617 A 73 TYR HD% A 74 LEU H 1.0 . 3.80 1695 1618 A 73 TYR HD% A 73 TYR HA 1.0 . 3.08 1696 1619 A 73 TYR HD% A 74 LEU HA 1.0 . 3.80 1697 1620 A 73 TYR HD% A 46 LEU HDy% 1.0 . 3.88 1698 1620 A 73 TYR HD% A 46 LEU HDx% 1.0 . 3.88 1699 1621 A 74 LEU HDx% A 73 TYR HD% 1.0 . 4.16 1700 1622 A 35 TYR H A 35 TYR HD% 1.0 . 3.11 1701 1623 A 30 VAL H A 35 TYR HD% 1.0 . 3.49 1702 1624 A 35 TYR HD% A 36 LYS H 1.0 . 3.92 1703 1625 A 35 TYR HD% A 29 THR HA 1.0 . 3.65 1704 1626 A 35 TYR HD% A 35 TYR HA 1.0 . 3.33 1705 1627 A 35 TYR HD% A 49 ASP HBy 1.0 . 4.65 1706 1628 A 47 CYS HBy A 35 TYR HD% 1.0 . 3.79 1707 1629 A 30 VAL HB A 35 TYR HD% 1.0 . 4.23 1708 1630 A 56 ILE HG1y A 35 TYR HD% 1.0 . 5.06 1709 1631 A 56 ILE HD1% A 35 TYR HD% 1.0 . 3.48 1710 1632 A 35 TYR HD% A 49 ASP HA 1.0 . 4.48 1711 1633 A 73 TYR HD% A 21 TRP HZ2 1.0 . 3.51 1712 1634 A 45 TYR H A 45 TYR HD% 1.0 . 3.15 1713 1635 A 41 ARG H A 45 TYR HD% 1.0 . 5.43 1714 1636 A 45 TYR HD% A 45 TYR HA 1.0 . 3.39 1715 1637 A 44 THR HA A 45 TYR HD% 1.0 . 3.62 1716 1638 A 57 THR HA A 45 TYR HD% 1.0 . 4.97 1717 1639 A 37 THR HB A 45 TYR HD% 1.0 . 3.33 1718 1640 A 45 TYR HD% A 40 LYS HBy 1.0 . 3.57 1719 1641 A 45 TYR HD% A 26 THR HG2% 1.0 . 3.74 1720 1642 A 45 TYR HD% A 37 THR HG2% 1.0 . 3.03 1721 1643 A 45 TYR HD% A 40 LYS HGx 1.0 . 4.27 1722 1644 A 44 THR H A 45 TYR HD% 1.0 . 5.08 1723 1645 A 35 TYR HD% A 48 PHE HA 1.0 . 4.98 1724 1646 A 54 TYR HD% A 48 PHE H 1.0 . 4.74 1725 1647 A 54 TYR HD% A 54 TYR H 1.0 . 3.26 1726 1648 A 54 TYR HD% A 48 PHE HA 1.0 . 3.41 1727 1649 A 54 TYR HD% A 35 TYR HE% 1.0 . 4.04 1728 1650 A 54 TYR HD% A 63 LYS HA 1.0 . 3.44 1729 1651 A 37 THR H A 45 TYR HD% 1.0 . 5.50 1730 1652 A 54 TYR HD% A 64 PHE H 1.0 . 4.26 1731 1653 A 54 TYR HA A 54 TYR HD% 1.0 . 3.41 1732 1654 A 54 TYR HD% A 49 ASP HBy 1.0 . 4.65 1733 1655 A 54 TYR HD% A 63 LYS HBy 1.0 . 3.61 1734 1656 A 54 TYR HD% A 61 VAL HGy% 1.0 . 3.03 1735 1657 A 54 TYR HD% A 56 ILE HD1% 1.0 . 4.69 1736 1658 A 54 TYR HD% A 62 LEU HA 1.0 . 5.50 1737 1659 A 54 TYR HD% A 49 ASP HA 1.0 . 5.50 1738 1660 A 54 TYR HD% A 47 CYS HBy 1.0 . 5.18 1739 1661 A 37 THR H A 48 PHE HD% 1.0 . 5.50 1740 1662 A 48 PHE HD% A 49 ASP HA 1.0 . 3.94 1741 1663 A 48 PHE HD% A 38 ILE HG1x 1.0 . 3.80 1742 1664 A 48 PHE HD% A 38 ILE HD1% 1.0 . 3.23 1743 1665 A 48 PHE HD% A 6 VAL HGx% 1.0 . 3.37 1744 1666 A 48 PHE HD% A 10 VAL HGx% 1.0 . 4.14 1745 1667 A 10 VAL HGy% A 48 PHE HD% 1.0 . 3.67 1746 1668 A 48 PHE HD% A 36 LYS HBy 1.0 . 4.20 1747 1669 A 48 PHE H A 48 PHE HD% 1.0 . 3.25 1748 1670 A 49 ASP H A 48 PHE HD% 1.0 . 3.81 1749 1671 A 48 PHE HA A 48 PHE HD% 1.0 . 3.76 1750 1672 A 53 LEU HA A 48 PHE HD% 1.0 . 5.01 1751 1673 A 48 PHE HD% A 38 ILE HG1y 1.0 . 3.60 1752 1674 A 48 PHE HD% A 47 CYS HA 1.0 . 3.97 1753 1675 A 37 THR HA A 48 PHE HD% 1.0 . 4.62 1754 1676 A 9 PHE HD% A 12 ASP HBx 1.0 . 4.40 1755 1676 A 12 ASP HBy A 9 PHE HD% 1.0 . 4.40 1756 1677 A 71 ARG HBx A 9 PHE HD% 1.0 . 3.55 1757 1678 A 53 LEU HDy% A 9 PHE HD% 1.0 . 2.92 1758 1679 A 53 LEU HDx% A 9 PHE HD% 1.0 . 2.94 1759 1680 A 13 ILE HD1% A 9 PHE HD% 1.0 . 3.93 1760 1681 A 71 ARG H A 9 PHE HD% 1.0 . 4.61 1761 1682 A 10 VAL H A 9 PHE HD% 1.0 . 3.41 1762 1683 A 9 PHE H A 9 PHE HD% 1.0 . 4.14 1763 1684 A 9 PHE HD% A 9 PHE HA 1.0 . 3.05 1764 1685 A 9 PHE HD% A 67 VAL HGy% 1.0 . 2.97 1765 1686 A 7 GLN HE2x A 48 PHE HE% 1.0 . 5.50 1766 1687 A 48 PHE H A 48 PHE HE% 1.0 . 4.51 1767 1688 A 47 CYS HA A 48 PHE HE% 1.0 . 5.50 1768 1689 A 36 LYS HEy A 48 PHE HE% 1.0 . 4.78 1769 1690 A 36 LYS HBy A 48 PHE HE% 1.0 . 4.45 1770 1691 A 38 ILE HD1% A 48 PHE HE% 1.0 . 4.31 1771 1692 A 10 VAL HGy% A 48 PHE HE% 1.0 . 4.67 1772 1693 A 48 PHE HE% A 36 LYS HA 1.0 . 5.50 1773 1694 A 37 THR H A 48 PHE HE% 1.0 . 5.50 1774 1695 A 49 ASP H A 48 PHE HE% 1.0 . 5.50 1775 1696 A 38 ILE HG1x A 48 PHE HE% 1.0 . 4.66 1776 1697 A 7 GLN HE2y A 48 PHE HE% 1.0 . 5.26 1777 1698 A 55 ALA HA A 64 PHE HD% 1.0 . 5.50 1778 1699 A 64 PHE HD% A 55 ALA HB% 1.0 . 4.20 1779 1700 A 55 ALA H A 64 PHE HD% 1.0 . 4.48 1780 1701 A 54 TYR HA A 64 PHE HD% 1.0 . 4.23 1781 1702 A 64 PHE HD% A 70 ALA HA 1.0 . 4.38 1782 1703 A 64 PHE HD% A 69 LYS HBx 1.0 . 3.68 1783 1703 A 64 PHE HD% A 69 LYS HBy 1.0 . 3.68 1784 1704 A 64 PHE HD% A 53 LEU HBy 1.0 . 4.03 1785 1705 A 64 PHE HD% A 53 LEU HBx 1.0 . 4.26 1786 1706 A 64 PHE HD% A 46 LEU HDy% 1.0 . 4.13 1787 1706 A 64 PHE HD% A 46 LEU HDx% 1.0 . 4.13 1788 1707 A 64 PHE HD% A 70 ALA HB% 1.0 . 4.32 1789 1708 A 64 PHE HD% A 53 LEU HDx% 1.0 . 5.40 1790 1709 A 55 ALA HA A 64 PHE HE% 1.0 . 5.22 1791 1710 A 64 PHE HE% A 73 TYR HBx 1.0 . 3.66 1792 1710 A 64 PHE HE% A 73 TYR HBy 1.0 . 3.66 1793 1711 A 54 TYR HA A 64 PHE HE% 1.0 . 5.02 1794 1712 A 64 PHE HE% A 69 LYS HBx 1.0 . 4.64 1795 1712 A 69 LYS HBy A 64 PHE HE% 1.0 . 4.64 1796 1713 A 64 PHE HE% A 64 PHE HA 1.0 . 4.32 1797 1714 A 64 PHE HE% A 70 ALA HA 1.0 . 4.77 1798 1715 A 71 ARG H A 9 PHE HE% 1.0 . 3.97 1799 1716 A 9 PHE HE% A 9 PHE HZ 1.0 . 2.45 1800 1717 A 71 ARG HA A 9 PHE HE% 1.0 . 3.36 1801 1718 A 71 ARG HBy A 9 PHE HE% 1.0 . 3.71 1802 1719 A 9 PHE HE% A 71 ARG HBx 1.0 . 3.40 1803 1720 A 53 LEU HDy% A 9 PHE HE% 1.0 . 3.39 1804 1721 A 64 PHE HE% A 46 LEU HDy% 1.0 . 3.14 1805 1721 A 64 PHE HE% A 46 LEU HDx% 1.0 . 3.14 1806 1722 A 53 LEU HDx% A 9 PHE HE% 1.0 . 3.52 1807 1723 A 13 ILE HD1% A 9 PHE HE% 1.0 . 3.90 1808 1724 A 48 PHE HZ A 36 LYS HEy 1.0 . 5.50 1809 1725 A 10 VAL HGx% A 48 PHE HZ 1.0 . 4.87 1810 1726 A 9 PHE HE% A 12 ASP HBx 1.0 . 5.50 1811 1726 A 9 PHE HE% A 12 ASP HBy 1.0 . 5.50 1812 1727 A 36 LYS HBy A 48 PHE HZ 1.0 . 4.33 1813 1728 A 10 VAL HGy% A 48 PHE HZ 1.0 . 5.44 1814 1729 A 9 PHE HE% A 10 VAL H 1.0 . 5.50 1815 1730 A 55 ALA HA A 64 PHE HZ 1.0 . 4.91 1816 1731 A 55 ALA H A 64 PHE HZ 1.0 . 5.39 1817 1732 A 73 TYR HD% A 64 PHE HZ 1.0 . 3.47 1818 1733 A 64 PHE HZ A 73 TYR HA 1.0 . 5.05 1819 1734 A 64 PHE HZ A 73 TYR HBx 1.0 . 3.58 1820 1734 A 64 PHE HZ A 73 TYR HBy 1.0 . 3.58 1821 1735 A 70 ALA HA A 64 PHE HZ 1.0 . 4.27 1822 1736 A 55 ALA HB% A 64 PHE HZ 1.0 . 3.14 1823 1737 A 64 PHE HZ A 46 LEU HDy% 1.0 . 3.79 1824 1737 A 64 PHE HZ A 46 LEU HDx% 1.0 . 3.79 1825 1738 A 64 PHE HZ A 69 LYS HBx 1.0 . 5.50 1826 1738 A 69 LYS HBy A 64 PHE HZ 1.0 . 5.50 1827 1739 A 71 ARG H A 9 PHE HZ 1.0 . 5.14 1828 1740 A 74 LEU H A 9 PHE HZ 1.0 . 5.45 1829 1741 A 71 ARG HA A 9 PHE HZ 1.0 . 3.83 1830 1742 A 71 ARG HBx A 9 PHE HZ 1.0 . 4.67 1831 1743 A 70 ALA HB% A 9 PHE HZ 1.0 . 4.00 1832 1744 A 74 LEU HDy% A 9 PHE HZ 1.0 . 3.53 1833 1745 A 13 ILE HD1% A 9 PHE HZ 1.0 . 3.95 1834 1746 A 74 LEU HDx% A 9 PHE HZ 1.0 . 4.26 1835 1747 A 70 ALA HA A 9 PHE HZ 1.0 . 5.45 1836 1748 A 22 ASP H A 21 TRP HD1 1.0 . 5.50 1837 1749 A 20 ASP H A 21 TRP HD1 1.0 . 3.77 1838 1750 A 21 TRP HD1 A 21 TRP H 1.0 . 3.01 1839 1751 A 21 TRP HA A 21 TRP HD1 1.0 . 4.40 1840 1752 A 21 TRP HD1 A 20 ASP HA 1.0 . 5.06 1841 1753 A 21 TRP HD1 A 21 TRP HBy 1.0 . 3.42 1842 1754 A 21 TRP HD1 A 20 ASP HBx 1.0 . 4.10 1843 1755 A 41 ARG HDy A 21 TRP HD1 1.0 . 5.27 1844 1756 A 19 ARG HBx A 21 TRP HD1 1.0 . 4.61 1845 1757 A 41 ARG HBy A 21 TRP HD1 1.0 . 4.64 1846 1758 A 71 ARG HDy A 9 PHE HZ 1.0 . 5.50 1847 1759 A 46 LEU HBx A 21 TRP HH2 1.0 . 5.50 1848 1760 A 41 ARG HBy A 21 TRP HH2 1.0 . 5.50 1849 1761 A 74 LEU HDx% A 21 TRP HH2 1.0 . 5.13 1850 1762 A 74 LEU HA A 21 TRP HH2 1.0 . 5.13 1851 1763 A 21 TRP HH2 A 46 LEU HDy% 1.0 . 5.46 1852 1763 A 21 TRP HH2 A 46 LEU HDx% 1.0 . 5.46 1853 1764 A 21 TRP HH2 A 73 TYR HE% 1.0 . 3.51 1854 1765 A 21 TRP HZ3 A 45 TYR HA 1.0 . 5.33 1855 1766 A 21 TRP HZ3 A 41 ARG HBx 1.0 . 5.50 1856 1767 A 21 TRP HZ3 A 46 LEU HBx 1.0 . 5.26 1857 1768 A 21 TRP HZ3 A 46 LEU HDy% 1.0 . 5.50 1858 1768 A 21 TRP HZ3 A 46 LEU HDx% 1.0 . 5.50 1859 1769 A 21 TRP HZ3 A 39 CYS H 1.0 . 5.50 1860 1770 A 21 TRP HE3 A 45 TYR HA 1.0 . 5.31 1861 1771 A 21 TRP HE3 A 41 ARG HBx 1.0 . 4.79 1862 1772 A 40 LYS H A 21 TRP HE3 1.0 . 4.33 1863 1773 A 21 TRP HE3 A 21 TRP HA 1.0 . 4.55 1864 1774 A 21 TRP HE3 A 21 TRP HBy 1.0 . 3.94 1865 1775 A 21 TRP HE3 A 21 TRP HBx 1.0 . 3.53 1866 1776 A 21 TRP HE3 A 46 LEU HBx 1.0 . 4.69 1867 1777 A 41 ARG HBy A 21 TRP HE3 1.0 . 4.83 1868 1778 A 21 TRP HE3 A 22 ASP H 1.0 . 4.83 1869 1779 A 21 TRP HE3 A 41 ARG HA 1.0 . 4.94 1870 1780 A 21 TRP HE3 A 46 LEU HBy 1.0 . 5.44 1871 1781 A 3 MET H A 2 HIS HD2 1.0 . 5.20 1872 1782 A 2 HIS H A 2 HIS HD2 1.0 . 4.78 1873 1783 A 74 LEU HA A 73 TYR HE% 1.0 . 4.48 1874 1784 A 21 TRP HZ2 A 73 TYR HE% 1.0 . 3.31 1875 1785 A 64 PHE HZ A 73 TYR HE% 1.0 . 4.03 1876 1786 A 55 ALA HB% A 73 TYR HE% 1.0 . 3.30 1877 1787 A 73 TYR HE% A 46 LEU HDy% 1.0 . 3.48 1878 1787 A 46 LEU HDx% A 73 TYR HE% 1.0 . 3.48 1879 1788 A 74 LEU HDx% A 73 TYR HE% 1.0 . 4.64 1880 1789 A 21 TRP HE1 A 73 TYR HE% 1.0 . 5.37 1881 1790 A 52 ASN H A 54 TYR HE% 1.0 . 4.25 1882 1791 A 49 ASP H A 54 TYR HE% 1.0 . 3.42 1883 1792 A 64 PHE H A 54 TYR HE% 1.0 . 5.29 1884 1793 A 52 ASN HD2y A 54 TYR HE% 1.0 . 4.82 1885 1794 A 54 TYR HA A 54 TYR HE% 1.0 . 4.91 1886 1795 A 63 LYS HA A 54 TYR HE% 1.0 . 4.02 1887 1796 A 49 ASP HBy A 54 TYR HE% 1.0 . 4.16 1888 1797 A 63 LYS HBy A 54 TYR HE% 1.0 . 3.06 1889 1798 A 61 VAL HGy% A 54 TYR HE% 1.0 . 3.53 1890 1799 A 52 ASN HA A 54 TYR HE% 1.0 . 5.21 1891 1800 A 44 THR H A 45 TYR HE% 1.0 . 5.50 1892 1801 A 45 TYR HE% A 45 TYR HA 1.0 . 4.79 1893 1802 A 45 TYR HE% A 43 ASN HBy 1.0 . 5.43 1894 1803 A 40 LYS HBx A 45 TYR HE% 1.0 . 4.51 1895 1804 A 45 TYR HE% A 40 LYS HGx 1.0 . 4.00 1896 1805 A 41 ARG H A 45 TYR HE% 1.0 . 5.50 1897 1806 A 40 LYS HA A 45 TYR HE% 1.0 . 5.22 1898 1807 A 44 THR HA A 45 TYR HE% 1.0 . 5.48 1899 1808 A 26 THR HB A 45 TYR HE% 1.0 . 5.31 1900 1809 A 45 TYR HE% A 26 THR HG2% 1.0 . 3.38 1901 1810 A 35 TYR HE% A 30 VAL HA 1.0 . 4.78 1902 1811 A 35 TYR HE% A 30 VAL H 1.0 . 3.51 1903 1812 A 35 TYR HE% A 33 LYS H 1.0 . 4.07 1904 1813 A 35 TYR HE% A 34 VAL HA 1.0 . 5.07 1905 1814 A 35 TYR HE% A 33 LYS HEy 1.0 . 3.62 1906 1815 A 35 TYR HE% A 33 LYS HEx 1.0 . 3.45 1907 1816 A 35 TYR HE% A 30 VAL HB 1.0 . 2.92 1908 1817 A 35 TYR HE% A 33 LYS HGy 1.0 . 4.97 1909 1818 A 35 TYR HE% A 31 ASP HBy 1.0 . 5.07 1910 1819 A 35 TYR HE% A 33 LYS HBy 1.0 . 3.33 1911 1820 A 35 TYR HE% A 54 TYR HE% 1.0 . 3.47 1912 1821 A 35 TYR HE% A 49 ASP HBy 1.0 . 4.99 1913 1822 A 41 ARG HDy A 21 TRP HZ2 1.0 . 5.10 1914 1823 A 74 LEU H A 21 TRP HZ2 1.0 . 5.50 1915 1824 A 74 LEU HA A 21 TRP HZ2 1.0 . 3.26 1916 1825 A 44 THR HG2% A 21 TRP HZ2 1.0 . 3.97 1917 1826 A 21 TRP HZ2 A 46 LEU HDy% 1.0 . 4.32 1918 1826 A 46 LEU HDx% A 21 TRP HZ2 1.0 . 4.32 1919 1827 A 74 LEU HDx% A 21 TRP HZ2 1.0 . 4.06 1920 1828 A 41 ARG H A 21 TRP HZ2 1.0 . 5.50 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 SER N A 1 SER CA A 1 SER C A 2 HIS N 1.0 -85.0 205.0 PSI 2 2 A 1 SER C A 2 HIS N A 2 HIS CA A 2 HIS C 1.0 -315.0 -45.0 PHI 3 3 A 1 SER C A 2 HIS N A 2 HIS CA A 2 HIS C 1.0 -185.0 75.0 PHI 4 4 A 2 HIS N A 2 HIS CA A 2 HIS CB A 2 HIS CG 1.0 -335.0 -25.0 CHI1 5 5 A 2 HIS N A 2 HIS CA A 2 HIS CB A 2 HIS CG 1.0 -205.0 95.0 CHI1 6 6 A 2 HIS N A 2 HIS CA A 2 HIS C A 3 MET N 1.0 -85.0 195.0 PSI 7 7 A 2 HIS C A 3 MET N A 3 MET CA A 3 MET C 1.0 -315.0 -45.0 PHI 8 8 A 2 HIS C A 3 MET N A 3 MET CA A 3 MET C 1.0 -185.0 75.0 PHI 9 9 A 3 MET N A 3 MET CA A 3 MET CB A 3 MET CG 1.0 -335.0 -25.0 CHI1 10 10 A 3 MET N A 3 MET CA A 3 MET CB A 3 MET CG 1.0 -205.0 95.0 CHI1 11 11 A 3 MET N A 3 MET CA A 3 MET C A 4 THR N 1.0 -85.0 195.0 PSI 12 12 A 3 MET C A 4 THR N A 4 THR CA A 4 THR C 1.0 -185.0 -45.0 PHI 13 13 A 4 THR N A 4 THR CA A 4 THR CB A 4 THR OG1 1.0 -215.0 85.0 CHI1 14 14 A 4 THR N A 4 THR CA A 4 THR CB A 4 THR OG1 1.0 -75.0 205.0 CHI1 15 15 A 4 THR N A 4 THR CA A 4 THR C A 5 ALA N 1.0 -285.0 35.0 PSI 16 16 A 4 THR N A 4 THR CA A 4 THR C A 5 ALA N 1.0 -85.0 195.0 PSI 17 17 A 4 THR C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -315.0 -45.0 PHI 18 18 A 4 THR C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -185.0 75.0 PHI 19 19 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 VAL N 1.0 -85.0 205.0 PSI 20 20 A 5 ALA C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -175.0 -45.0 PHI 21 21 A 6 VAL N A 6 VAL CA A 6 VAL CB A 6 VAL CG1 1.0 45.0 205.0 CHI1 22 22 A 6 VAL N A 6 VAL CA A 6 VAL CB A 6 VAL CG1 1.0 -195.0 85.0 CHI1 23 23 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 GLN N 1.0 -235.0 25.0 PSI 24 24 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 GLN N 1.0 -85.0 165.0 PSI 25 25 A 6 VAL C A 7 GLN N A 7 GLN CA A 7 GLN C 1.0 -315.0 -45.0 PHI 26 26 A 6 VAL C A 7 GLN N A 7 GLN CA A 7 GLN C 1.0 -185.0 75.0 PHI 27 27 A 7 GLN N A 7 GLN CA A 7 GLN CB A 7 GLN CG 1.0 -335.0 -25.0 CHI1 28 28 A 7 GLN N A 7 GLN CA A 7 GLN CB A 7 GLN CG 1.0 -205.0 95.0 CHI1 29 29 A 7 GLN N A 7 GLN CA A 7 GLN C A 8 ASP N 1.0 -85.0 195.0 PSI 30 30 A 7 GLN C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -315.0 -45.0 PHI 31 31 A 7 GLN C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -185.0 75.0 PHI 32 32 A 8 ASP N A 8 ASP CA A 8 ASP CB A 8 ASP CG 1.0 -225.0 115.0 CHI1 33 33 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 PHE N 1.0 -85.0 205.0 PSI 34 34 A 8 ASP C A 9 PHE N A 9 PHE CA A 9 PHE C 1.0 -185.0 -45.0 PHI 35 35 A 9 PHE N A 9 PHE CA A 9 PHE CB A 9 PHE CG 1.0 -335.0 -25.0 CHI1 36 36 A 9 PHE N A 9 PHE CA A 9 PHE CB A 9 PHE CG 1.0 -205.0 95.0 CHI1 37 37 A 9 PHE N A 9 PHE CA A 9 PHE C A 10 VAL N 1.0 -85.0 15.0 PSI 38 38 A 9 PHE C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -175.0 -45.0 PHI 39 39 A 10 VAL N A 10 VAL CA A 10 VAL CB A 10 VAL CG1 1.0 45.0 205.0 CHI1 40 40 A 10 VAL N A 10 VAL CA A 10 VAL CB A 10 VAL CG1 1.0 -195.0 85.0 CHI1 41 41 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 VAL N 1.0 -85.0 165.0 PSI 42 42 A 10 VAL C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -175.0 -45.0 PHI 43 43 A 11 VAL N A 11 VAL CA A 11 VAL CB A 11 VAL CG1 1.0 -305.0 -55.0 CHI1 44 44 A 11 VAL N A 11 VAL CA A 11 VAL CB A 11 VAL CG1 1.0 -195.0 85.0 CHI1 45 45 A 11 VAL N A 11 VAL CA A 11 VAL CB A 11 VAL CG1 1.0 -95.0 205.0 CHI1 46 46 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 ASP N 1.0 -265.0 15.0 PSI 47 47 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 ASP N 1.0 -85.0 115.0 PSI 48 48 A 11 VAL C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -315.0 -45.0 PHI 49 49 A 11 VAL C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -185.0 75.0 PHI 50 50 A 12 ASP N A 12 ASP CA A 12 ASP CB A 12 ASP CG 1.0 -225.0 115.0 CHI1 51 51 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 ILE N 1.0 -85.0 135.0 PSI 52 52 A 12 ASP C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -155.0 -45.0 PHI 53 53 A 13 ILE N A 13 ILE CA A 13 ILE CB A 13 ILE CG1 1.0 -315.0 -25.0 CHI1 54 54 A 13 ILE N A 13 ILE CA A 13 ILE CB A 13 ILE CG1 1.0 -75.0 55.0 CHI1 55 55 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 LEU N 1.0 -85.0 15.0 PSI 56 56 A 13 ILE C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -185.0 -45.0 PHI 57 57 A 14 LEU N A 14 LEU CA A 14 LEU CB A 14 LEU CG 1.0 25.0 245.0 CHI1 58 58 A 14 LEU N A 14 LEU CA A 14 LEU CB A 14 LEU CG 1.0 -225.0 105.0 CHI1 59 59 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 LEU N 1.0 -85.0 25.0 PSI 60 60 A 14 LEU C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -185.0 -45.0 PHI 61 61 A 15 LEU N A 15 LEU CA A 15 LEU CB A 15 LEU CG 1.0 -215.0 75.0 CHI1 62 62 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 ASN N 1.0 -85.0 15.0 PSI 63 63 A 15 LEU C A 16 ASN N A 16 ASN CA A 16 ASN C 1.0 -315.0 -45.0 PHI 64 64 A 15 LEU C A 16 ASN N A 16 ASN CA A 16 ASN C 1.0 -185.0 75.0 PHI 65 65 A 16 ASN N A 16 ASN CA A 16 ASN CB A 16 ASN CG 1.0 -225.0 115.0 CHI1 66 66 A 16 ASN N A 16 ASN CA A 16 ASN C A 17 GLY N 1.0 -85.0 95.0 PSI 67 67 A 16 ASN C A 17 GLY N A 17 GLY CA A 17 GLY C 1.0 -315.0 -45.0 PHI 68 68 A 17 GLY N A 17 GLY CA A 17 GLY C A 18 ALA N 1.0 -285.0 35.0 PSI 69 69 A 17 GLY N A 17 GLY CA A 17 GLY C A 18 ALA N 1.0 -15.0 265.0 PSI 70 70 A 17 GLY C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -315.0 -45.0 PHI 71 71 A 17 GLY C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -185.0 75.0 PHI 72 72 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 ARG N 1.0 25.0 205.0 PSI 73 73 A 18 ALA C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -315.0 -45.0 PHI 74 74 A 18 ALA C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -185.0 75.0 PHI 75 75 A 19 ARG N A 19 ARG CA A 19 ARG CB A 19 ARG CG 1.0 -335.0 -25.0 CHI1 76 76 A 19 ARG N A 19 ARG CA A 19 ARG CB A 19 ARG CG 1.0 -205.0 95.0 CHI1 77 77 A 19 ARG N A 19 ARG CA A 19 ARG C A 20 ASP N 1.0 95.0 195.0 PSI 78 78 A 19 ARG C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -315.0 -45.0 PHI 79 79 A 19 ARG C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -185.0 75.0 PHI 80 80 A 20 ASP N A 20 ASP CA A 20 ASP CB A 20 ASP CG 1.0 -225.0 115.0 CHI1 81 81 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 TRP N 1.0 -85.0 105.0 PSI 82 82 A 20 ASP C A 21 TRP N A 21 TRP CA A 21 TRP C 1.0 -315.0 -45.0 PHI 83 83 A 20 ASP C A 21 TRP N A 21 TRP CA A 21 TRP C 1.0 -185.0 75.0 PHI 84 84 A 21 TRP N A 21 TRP CA A 21 TRP CB A 21 TRP CG 1.0 -335.0 -25.0 CHI1 85 85 A 21 TRP N A 21 TRP CA A 21 TRP CB A 21 TRP CG 1.0 -205.0 95.0 CHI1 86 86 A 21 TRP N A 21 TRP CA A 21 TRP C A 22 ASP N 1.0 -295.0 45.0 PSI 87 87 A 21 TRP N A 21 TRP CA A 21 TRP C A 22 ASP N 1.0 -25.0 195.0 PSI 88 88 A 21 TRP C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -315.0 -45.0 PHI 89 89 A 21 TRP C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -185.0 75.0 PHI 90 90 A 22 ASP N A 22 ASP CA A 22 ASP CB A 22 ASP CG 1.0 -225.0 115.0 CHI1 91 91 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 VAL N 1.0 25.0 195.0 PSI 92 92 A 22 ASP C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -155.0 -45.0 PHI 93 93 A 23 VAL N A 23 VAL CA A 23 VAL CB A 23 VAL CG1 1.0 45.0 205.0 CHI1 94 94 A 23 VAL N A 23 VAL CA A 23 VAL CB A 23 VAL CG1 1.0 -195.0 85.0 CHI1 95 95 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 LEU N 1.0 15.0 165.0 PSI 96 96 A 23 VAL C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -315.0 -45.0 PHI 97 97 A 23 VAL C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -185.0 75.0 PHI 98 98 A 24 LEU N A 24 LEU CA A 24 LEU CB A 24 LEU CG 1.0 -285.0 25.0 CHI1 99 99 A 24 LEU N A 24 LEU CA A 24 LEU CB A 24 LEU CG 1.0 -225.0 105.0 CHI1 100 100 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 GLN N 1.0 25.0 205.0 PSI 101 101 A 24 LEU C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -315.0 -45.0 PHI 102 102 A 24 LEU C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -185.0 75.0 PHI 103 103 A 25 GLN N A 25 GLN CA A 25 GLN CB A 25 GLN CG 1.0 -335.0 -25.0 CHI1 104 104 A 25 GLN N A 25 GLN CA A 25 GLN CB A 25 GLN CG 1.0 -205.0 95.0 CHI1 105 105 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 THR N 1.0 -15.0 195.0 PSI 106 106 A 25 GLN C A 26 THR N A 26 THR CA A 26 THR C 1.0 -315.0 -45.0 PHI 107 107 A 25 GLN C A 26 THR N A 26 THR CA A 26 THR C 1.0 -185.0 65.0 PHI 108 108 A 26 THR N A 26 THR CA A 26 THR CB A 26 THR OG1 1.0 -205.0 95.0 CHI1 109 109 A 26 THR N A 26 THR CA A 26 THR CB A 26 THR OG1 1.0 -75.0 205.0 CHI1 110 110 A 26 THR N A 26 THR CA A 26 THR C A 27 THR N 1.0 -265.0 -15.0 PSI 111 111 A 26 THR N A 26 THR CA A 26 THR C A 27 THR N 1.0 -75.0 195.0 PSI 112 112 A 26 THR C A 27 THR N A 27 THR CA A 27 THR C 1.0 -315.0 -45.0 PHI 113 113 A 26 THR C A 27 THR N A 27 THR CA A 27 THR C 1.0 -185.0 75.0 PHI 114 114 A 27 THR N A 27 THR CA A 27 THR CB A 27 THR OG1 1.0 -45.0 95.0 CHI1 115 115 A 27 THR N A 27 THR CA A 27 THR C A 28 CYS N 1.0 115.0 195.0 PSI 116 116 A 27 THR C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -305.0 -45.0 PHI 117 117 A 27 THR C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -185.0 75.0 PHI 118 118 A 28 CYS N A 28 CYS CA A 28 CYS CB A 28 CYS SG 1.0 -335.0 -25.0 CHI1 119 119 A 28 CYS N A 28 CYS CA A 28 CYS CB A 28 CYS SG 1.0 -195.0 85.0 CHI1 120 120 A 28 CYS N A 28 CYS CA A 28 CYS C A 29 THR N 1.0 115.0 195.0 PSI 121 121 A 28 CYS C A 29 THR N A 29 THR CA A 29 THR C 1.0 -175.0 -45.0 PHI 122 122 A 29 THR N A 29 THR CA A 29 THR CB A 29 THR OG1 1.0 -195.0 25.0 CHI1 123 123 A 29 THR N A 29 THR CA A 29 THR CB A 29 THR OG1 1.0 -75.0 205.0 CHI1 124 124 A 29 THR N A 29 THR CA A 29 THR C A 30 VAL N 1.0 15.0 195.0 PSI 125 125 A 29 THR C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -315.0 -45.0 PHI 126 126 A 29 THR C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -185.0 75.0 PHI 127 127 A 30 VAL N A 30 VAL CA A 30 VAL CB A 30 VAL CG1 1.0 -315.0 -45.0 CHI1 128 128 A 30 VAL N A 30 VAL CA A 30 VAL CB A 30 VAL CG1 1.0 -195.0 85.0 CHI1 129 129 A 30 VAL N A 30 VAL CA A 30 VAL CB A 30 VAL CG1 1.0 -95.0 205.0 CHI1 130 130 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 ASP N 1.0 -5.0 195.0 PSI 131 131 A 30 VAL C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -315.0 -45.0 PHI 132 132 A 30 VAL C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -185.0 75.0 PHI 133 133 A 31 ASP N A 31 ASP CA A 31 ASP CB A 31 ASP CG 1.0 -225.0 105.0 CHI1 134 134 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 ARG N 1.0 -295.0 45.0 PSI 135 135 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 ARG N 1.0 -35.0 155.0 PSI 136 136 A 31 ASP C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 -315.0 -45.0 PHI 137 137 A 31 ASP C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 -185.0 75.0 PHI 138 138 A 32 ARG N A 32 ARG CA A 32 ARG CB A 32 ARG CG 1.0 -335.0 -25.0 CHI1 139 139 A 32 ARG N A 32 ARG CA A 32 ARG CB A 32 ARG CG 1.0 -205.0 95.0 CHI1 140 140 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 LYS N 1.0 -85.0 105.0 PSI 141 141 A 32 ARG C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -185.0 -45.0 PHI 142 142 A 33 LYS N A 33 LYS CA A 33 LYS CB A 33 LYS CG 1.0 35.0 255.0 CHI1 143 143 A 33 LYS N A 33 LYS CA A 33 LYS CB A 33 LYS CG 1.0 -205.0 95.0 CHI1 144 144 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 VAL N 1.0 95.0 195.0 PSI 145 145 A 33 LYS C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -155.0 -45.0 PHI 146 146 A 34 VAL N A 34 VAL CA A 34 VAL CB A 34 VAL CG1 1.0 45.0 205.0 CHI1 147 147 A 34 VAL N A 34 VAL CA A 34 VAL CB A 34 VAL CG1 1.0 -195.0 85.0 CHI1 148 148 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 TYR N 1.0 5.0 165.0 PSI 149 149 A 34 VAL C A 35 TYR N A 35 TYR CA A 35 TYR C 1.0 -315.0 -45.0 PHI 150 150 A 34 VAL C A 35 TYR N A 35 TYR CA A 35 TYR C 1.0 -185.0 75.0 PHI 151 151 A 35 TYR N A 35 TYR CA A 35 TYR CB A 35 TYR CG 1.0 -335.0 -25.0 CHI1 152 152 A 35 TYR N A 35 TYR CA A 35 TYR CB A 35 TYR CG 1.0 -205.0 95.0 CHI1 153 153 A 35 TYR N A 35 TYR CA A 35 TYR C A 36 LYS N 1.0 5.0 195.0 PSI 154 154 A 35 TYR N A 35 TYR CA A 35 TYR C A 36 LYS N 1.0 -285.0 45.0 PSI 155 155 A 35 TYR C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -305.0 -45.0 PHI 156 156 A 35 TYR C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -185.0 65.0 PHI 157 157 A 36 LYS N A 36 LYS CA A 36 LYS CB A 36 LYS CG 1.0 -335.0 -25.0 CHI1 158 158 A 36 LYS N A 36 LYS CA A 36 LYS CB A 36 LYS CG 1.0 -205.0 95.0 CHI1 159 159 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 THR N 1.0 -285.0 35.0 PSI 160 160 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 THR N 1.0 -5.0 195.0 PSI 161 161 A 36 LYS C A 37 THR N A 37 THR CA A 37 THR C 1.0 -315.0 -45.0 PHI 162 162 A 36 LYS C A 37 THR N A 37 THR CA A 37 THR C 1.0 -185.0 75.0 PHI 163 163 A 37 THR N A 37 THR CA A 37 THR CB A 37 THR OG1 1.0 -215.0 95.0 CHI1 164 164 A 37 THR N A 37 THR CA A 37 THR CB A 37 THR OG1 1.0 -75.0 205.0 CHI1 165 165 A 37 THR N A 37 THR CA A 37 THR C A 38 ILE N 1.0 -295.0 45.0 PSI 166 166 A 37 THR N A 37 THR CA A 37 THR C A 38 ILE N 1.0 -15.0 195.0 PSI 167 167 A 37 THR C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -295.0 -45.0 PHI 168 168 A 37 THR C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -185.0 75.0 PHI 169 169 A 38 ILE N A 38 ILE CA A 38 ILE CB A 38 ILE CG1 1.0 -335.0 -25.0 CHI1 170 170 A 38 ILE N A 38 ILE CA A 38 ILE CB A 38 ILE CG1 1.0 -195.0 65.0 CHI1 171 171 A 38 ILE N A 38 ILE CA A 38 ILE CB A 38 ILE CG1 1.0 -75.0 205.0 CHI1 172 172 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 CYS N 1.0 -85.0 15.0 PSI 173 173 A 38 ILE C A 39 CYS N A 39 CYS CA A 39 CYS C 1.0 -315.0 -45.0 PHI 174 174 A 38 ILE C A 39 CYS N A 39 CYS CA A 39 CYS C 1.0 -185.0 75.0 PHI 175 175 A 39 CYS N A 39 CYS CA A 39 CYS CB A 39 CYS SG 1.0 -335.0 -25.0 CHI1 176 176 A 39 CYS N A 39 CYS CA A 39 CYS CB A 39 CYS SG 1.0 -185.0 85.0 CHI1 177 177 A 39 CYS N A 39 CYS CA A 39 CYS C A 40 LYS N 1.0 -255.0 15.0 PSI 178 178 A 39 CYS N A 39 CYS CA A 39 CYS C A 40 LYS N 1.0 -15.0 195.0 PSI 179 179 A 39 CYS C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -315.0 -45.0 PHI 180 180 A 39 CYS C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -185.0 75.0 PHI 181 181 A 40 LYS N A 40 LYS CA A 40 LYS CB A 40 LYS CG 1.0 -335.0 -25.0 CHI1 182 182 A 40 LYS N A 40 LYS CA A 40 LYS CB A 40 LYS CG 1.0 -205.0 95.0 CHI1 183 183 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 ARG N 1.0 -295.0 55.0 PSI 184 184 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 ARG N 1.0 -5.0 205.0 PSI 185 185 A 40 LYS C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -315.0 -45.0 PHI 186 186 A 40 LYS C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -185.0 75.0 PHI 187 187 A 41 ARG N A 41 ARG CA A 41 ARG CB A 41 ARG CG 1.0 -335.0 -25.0 CHI1 188 188 A 41 ARG N A 41 ARG CA A 41 ARG CB A 41 ARG CG 1.0 -205.0 95.0 CHI1 189 189 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 GLY N 1.0 -85.0 205.0 PSI 190 190 A 41 ARG C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 -315.0 -45.0 PHI 191 191 A 42 GLY C A 43 ASN N A 43 ASN CA A 43 ASN C 1.0 -315.0 -45.0 PHI 192 192 A 42 GLY C A 43 ASN N A 43 ASN CA A 43 ASN C 1.0 -185.0 75.0 PHI 193 193 A 43 ASN N A 43 ASN CA A 43 ASN CB A 43 ASN CG 1.0 -225.0 115.0 CHI1 194 194 A 43 ASN N A 43 ASN CA A 43 ASN C A 44 THR N 1.0 -85.0 115.0 PSI 195 195 A 43 ASN C A 44 THR N A 44 THR CA A 44 THR C 1.0 -165.0 -45.0 PHI 196 196 A 44 THR N A 44 THR CA A 44 THR CB A 44 THR OG1 1.0 -205.0 5.0 CHI1 197 197 A 44 THR N A 44 THR CA A 44 THR CB A 44 THR OG1 1.0 -75.0 205.0 CHI1 198 198 A 44 THR N A 44 THR CA A 44 THR C A 45 TYR N 1.0 5.0 195.0 PSI 199 199 A 44 THR C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -315.0 -45.0 PHI 200 200 A 44 THR C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -185.0 75.0 PHI 201 201 A 45 TYR N A 45 TYR CA A 45 TYR CB A 45 TYR CG 1.0 -335.0 -25.0 CHI1 202 202 A 45 TYR N A 45 TYR CA A 45 TYR CB A 45 TYR CG 1.0 -205.0 95.0 CHI1 203 203 A 45 TYR N A 45 TYR CA A 45 TYR C A 46 LEU N 1.0 -5.0 195.0 PSI 204 204 A 45 TYR C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -315.0 -45.0 PHI 205 205 A 45 TYR C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -185.0 75.0 PHI 206 206 A 46 LEU N A 46 LEU CA A 46 LEU CB A 46 LEU CG 1.0 -225.0 105.0 CHI1 207 207 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 CYS N 1.0 5.0 205.0 PSI 208 208 A 46 LEU C A 47 CYS N A 47 CYS CA A 47 CYS C 1.0 -315.0 -45.0 PHI 209 209 A 46 LEU C A 47 CYS N A 47 CYS CA A 47 CYS C 1.0 -185.0 75.0 PHI 210 210 A 47 CYS N A 47 CYS CA A 47 CYS CB A 47 CYS SG 1.0 -335.0 -25.0 CHI1 211 211 A 47 CYS N A 47 CYS CA A 47 CYS CB A 47 CYS SG 1.0 -205.0 85.0 CHI1 212 212 A 47 CYS N A 47 CYS CA A 47 CYS C A 48 PHE N 1.0 -265.0 25.0 PSI 213 213 A 47 CYS N A 47 CYS CA A 47 CYS C A 48 PHE N 1.0 -15.0 195.0 PSI 214 214 A 47 CYS C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -315.0 -45.0 PHI 215 215 A 47 CYS C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -185.0 75.0 PHI 216 216 A 48 PHE N A 48 PHE CA A 48 PHE CB A 48 PHE CG 1.0 -335.0 -25.0 CHI1 217 217 A 48 PHE N A 48 PHE CA A 48 PHE CB A 48 PHE CG 1.0 -145.0 95.0 CHI1 218 218 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 ASP N 1.0 -255.0 5.0 PSI 219 219 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 ASP N 1.0 -5.0 195.0 PSI 220 220 A 48 PHE C A 49 ASP N A 49 ASP CA A 49 ASP C 1.0 -315.0 -45.0 PHI 221 221 A 48 PHE C A 49 ASP N A 49 ASP CA A 49 ASP C 1.0 -185.0 75.0 PHI 222 222 A 49 ASP N A 49 ASP CA A 49 ASP CB A 49 ASP CG 1.0 -155.0 105.0 CHI1 223 223 A 49 ASP N A 49 ASP CA A 49 ASP C A 50 ASP N 1.0 -235.0 -15.0 PSI 224 224 A 49 ASP N A 49 ASP CA A 49 ASP C A 50 ASP N 1.0 -85.0 205.0 PSI 225 225 A 49 ASP C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -305.0 -45.0 PHI 226 226 A 49 ASP C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -185.0 75.0 PHI 227 227 A 50 ASP N A 50 ASP CA A 50 ASP CB A 50 ASP CG 1.0 -225.0 5.0 CHI1 228 228 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 THR N 1.0 -85.0 35.0 PSI 229 229 A 50 ASP C A 51 THR N A 51 THR CA A 51 THR C 1.0 -315.0 -45.0 PHI 230 230 A 50 ASP C A 51 THR N A 51 THR CA A 51 THR C 1.0 -185.0 75.0 PHI 231 231 A 51 THR N A 51 THR CA A 51 THR CB A 51 THR OG1 1.0 -215.0 95.0 CHI1 232 232 A 51 THR N A 51 THR CA A 51 THR CB A 51 THR OG1 1.0 -75.0 205.0 CHI1 233 233 A 51 THR N A 51 THR CA A 51 THR C A 52 ASN N 1.0 -85.0 95.0 PSI 234 234 A 51 THR C A 52 ASN N A 52 ASN CA A 52 ASN C 1.0 -315.0 -45.0 PHI 235 235 A 51 THR C A 52 ASN N A 52 ASN CA A 52 ASN C 1.0 -185.0 75.0 PHI 236 236 A 52 ASN N A 52 ASN CA A 52 ASN CB A 52 ASN CG 1.0 -215.0 115.0 CHI1 237 237 A 52 ASN N A 52 ASN CA A 52 ASN C A 53 LEU N 1.0 5.0 205.0 PSI 238 238 A 52 ASN N A 52 ASN CA A 52 ASN C A 53 LEU N 1.0 -265.0 25.0 PSI 239 239 A 52 ASN C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -315.0 -45.0 PHI 240 240 A 52 ASN C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -185.0 75.0 PHI 241 241 A 53 LEU N A 53 LEU CA A 53 LEU CB A 53 LEU CG 1.0 -225.0 105.0 CHI1 242 242 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 TYR N 1.0 -15.0 205.0 PSI 243 243 A 53 LEU C A 54 TYR N A 54 TYR CA A 54 TYR C 1.0 -315.0 -45.0 PHI 244 244 A 53 LEU C A 54 TYR N A 54 TYR CA A 54 TYR C 1.0 -185.0 75.0 PHI 245 245 A 54 TYR N A 54 TYR CA A 54 TYR CB A 54 TYR CG 1.0 -335.0 -25.0 CHI1 246 246 A 54 TYR N A 54 TYR CA A 54 TYR CB A 54 TYR CG 1.0 -205.0 95.0 CHI1 247 247 A 54 TYR N A 54 TYR CA A 54 TYR C A 55 ALA N 1.0 5.0 195.0 PSI 248 248 A 54 TYR N A 54 TYR CA A 54 TYR C A 55 ALA N 1.0 -275.0 35.0 PSI 249 249 A 54 TYR C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -315.0 -45.0 PHI 250 250 A 54 TYR C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -185.0 75.0 PHI 251 251 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 ILE N 1.0 5.0 205.0 PSI 252 252 A 55 ALA C A 56 ILE N A 56 ILE CA A 56 ILE C 1.0 -315.0 -45.0 PHI 253 253 A 55 ALA C A 56 ILE N A 56 ILE CA A 56 ILE C 1.0 -185.0 75.0 PHI 254 254 A 56 ILE N A 56 ILE CA A 56 ILE CB A 56 ILE CG1 1.0 -335.0 -25.0 CHI1 255 255 A 56 ILE N A 56 ILE CA A 56 ILE CB A 56 ILE CG1 1.0 -195.0 75.0 CHI1 256 256 A 56 ILE N A 56 ILE CA A 56 ILE CB A 56 ILE CG1 1.0 -75.0 205.0 CHI1 257 257 A 56 ILE N A 56 ILE CA A 56 ILE C A 57 THR N 1.0 5.0 195.0 PSI 258 258 A 56 ILE N A 56 ILE CA A 56 ILE C A 57 THR N 1.0 -305.0 25.0 PSI 259 259 A 56 ILE C A 57 THR N A 57 THR CA A 57 THR C 1.0 -315.0 -45.0 PHI 260 260 A 56 ILE C A 57 THR N A 57 THR CA A 57 THR C 1.0 -185.0 75.0 PHI 261 261 A 57 THR N A 57 THR CA A 57 THR CB A 57 THR OG1 1.0 -215.0 95.0 CHI1 262 262 A 57 THR N A 57 THR CA A 57 THR CB A 57 THR OG1 1.0 -75.0 205.0 CHI1 263 263 A 57 THR N A 57 THR CA A 57 THR C A 58 GLY N 1.0 -15.0 195.0 PSI 264 264 A 57 THR C A 58 GLY N A 58 GLY CA A 58 GLY C 1.0 -315.0 -45.0 PHI 265 265 A 58 GLY N A 58 GLY CA A 58 GLY C A 59 ASP N 1.0 -295.0 55.0 PSI 266 266 A 58 GLY C A 59 ASP N A 59 ASP CA A 59 ASP C 1.0 -315.0 -45.0 PHI 267 267 A 58 GLY C A 59 ASP N A 59 ASP CA A 59 ASP C 1.0 -185.0 75.0 PHI 268 268 A 59 ASP N A 59 ASP CA A 59 ASP CB A 59 ASP CG 1.0 -225.0 115.0 CHI1 269 269 A 59 ASP N A 59 ASP CA A 59 ASP C A 60 VAL N 1.0 -85.0 105.0 PSI 270 270 A 59 ASP C A 60 VAL N A 60 VAL CA A 60 VAL C 1.0 -155.0 -45.0 PHI 271 271 A 60 VAL N A 60 VAL CA A 60 VAL CB A 60 VAL CG1 1.0 45.0 205.0 CHI1 272 272 A 60 VAL N A 60 VAL CA A 60 VAL CB A 60 VAL CG1 1.0 -195.0 85.0 CHI1 273 273 A 60 VAL N A 60 VAL CA A 60 VAL C A 61 VAL N 1.0 25.0 165.0 PSI 274 274 A 60 VAL C A 61 VAL N A 61 VAL CA A 61 VAL C 1.0 -185.0 -45.0 PHI 275 275 A 61 VAL N A 61 VAL CA A 61 VAL CB A 61 VAL CG1 1.0 -315.0 -45.0 CHI1 276 276 A 61 VAL N A 61 VAL CA A 61 VAL CB A 61 VAL CG1 1.0 -195.0 85.0 CHI1 277 277 A 61 VAL N A 61 VAL CA A 61 VAL CB A 61 VAL CG1 1.0 -85.0 205.0 CHI1 278 278 A 61 VAL N A 61 VAL CA A 61 VAL C A 62 LEU N 1.0 5.0 185.0 PSI 279 279 A 61 VAL N A 61 VAL CA A 61 VAL C A 62 LEU N 1.0 -285.0 15.0 PSI 280 280 A 61 VAL C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -315.0 -45.0 PHI 281 281 A 61 VAL C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -185.0 75.0 PHI 282 282 A 62 LEU N A 62 LEU CA A 62 LEU CB A 62 LEU CG 1.0 -225.0 105.0 CHI1 283 283 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 LYS N 1.0 15.0 205.0 PSI 284 284 A 62 LEU C A 63 LYS N A 63 LYS CA A 63 LYS C 1.0 -315.0 -45.0 PHI 285 285 A 62 LEU C A 63 LYS N A 63 LYS CA A 63 LYS C 1.0 -185.0 65.0 PHI 286 286 A 63 LYS N A 63 LYS CA A 63 LYS CB A 63 LYS CG 1.0 -335.0 -25.0 CHI1 287 287 A 63 LYS N A 63 LYS CA A 63 LYS CB A 63 LYS CG 1.0 -205.0 95.0 CHI1 288 288 A 63 LYS N A 63 LYS CA A 63 LYS C A 64 PHE N 1.0 -25.0 195.0 PSI 289 289 A 63 LYS C A 64 PHE N A 64 PHE CA A 64 PHE C 1.0 -315.0 -45.0 PHI 290 290 A 63 LYS C A 64 PHE N A 64 PHE CA A 64 PHE C 1.0 -185.0 75.0 PHI 291 291 A 64 PHE N A 64 PHE CA A 64 PHE CB A 64 PHE CG 1.0 -335.0 -25.0 CHI1 292 292 A 64 PHE N A 64 PHE CA A 64 PHE CB A 64 PHE CG 1.0 -205.0 95.0 CHI1 293 293 A 64 PHE N A 64 PHE CA A 64 PHE C A 65 ALA N 1.0 -85.0 195.0 PSI 294 294 A 64 PHE C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -315.0 -45.0 PHI 295 295 A 64 PHE C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -185.0 75.0 PHI 296 296 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 THR N 1.0 -85.0 205.0 PSI 297 297 A 65 ALA C A 66 THR N A 66 THR CA A 66 THR C 1.0 -315.0 -45.0 PHI 298 298 A 65 ALA C A 66 THR N A 66 THR CA A 66 THR C 1.0 -185.0 75.0 PHI 299 299 A 66 THR N A 66 THR CA A 66 THR CB A 66 THR OG1 1.0 -205.0 95.0 CHI1 300 300 A 66 THR N A 66 THR CA A 66 THR CB A 66 THR OG1 1.0 -55.0 205.0 CHI1 301 301 A 66 THR N A 66 THR CA A 66 THR C A 67 VAL N 1.0 -255.0 5.0 PSI 302 302 A 66 THR N A 66 THR CA A 66 THR C A 67 VAL N 1.0 -15.0 195.0 PSI 303 303 A 66 THR C A 67 VAL N A 67 VAL CA A 67 VAL C 1.0 -185.0 -45.0 PHI 304 304 A 67 VAL N A 67 VAL CA A 67 VAL CB A 67 VAL CG1 1.0 -315.0 -45.0 CHI1 305 305 A 67 VAL N A 67 VAL CA A 67 VAL CB A 67 VAL CG1 1.0 -195.0 85.0 CHI1 306 306 A 67 VAL N A 67 VAL CA A 67 VAL CB A 67 VAL CG1 1.0 -95.0 205.0 CHI1 307 307 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 SER N 1.0 -275.0 35.0 PSI 308 308 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 SER N 1.0 -235.0 105.0 PSI 309 309 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 SER N 1.0 -85.0 135.0 PSI 310 310 A 67 VAL C A 68 SER N A 68 SER CA A 68 SER C 1.0 -315.0 -45.0 PHI 311 311 A 67 VAL C A 68 SER N A 68 SER CA A 68 SER C 1.0 -185.0 75.0 PHI 312 312 A 68 SER N A 68 SER CA A 68 SER C A 69 LYS N 1.0 -85.0 145.0 PSI 313 313 A 68 SER C A 69 LYS N A 69 LYS CA A 69 LYS C 1.0 -315.0 -45.0 PHI 314 314 A 68 SER C A 69 LYS N A 69 LYS CA A 69 LYS C 1.0 -185.0 75.0 PHI 315 315 A 69 LYS N A 69 LYS CA A 69 LYS CB A 69 LYS CG 1.0 -335.0 -25.0 CHI1 316 316 A 69 LYS N A 69 LYS CA A 69 LYS CB A 69 LYS CG 1.0 -205.0 95.0 CHI1 317 317 A 69 LYS N A 69 LYS CA A 69 LYS C A 70 ALA N 1.0 -85.0 95.0 PSI 318 318 A 69 LYS C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -315.0 -45.0 PHI 319 319 A 69 LYS C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -185.0 75.0 PHI 320 320 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 ARG N 1.0 -85.0 105.0 PSI 321 321 A 70 ALA C A 71 ARG N A 71 ARG CA A 71 ARG C 1.0 -175.0 -45.0 PHI 322 322 A 71 ARG N A 71 ARG CA A 71 ARG CB A 71 ARG CG 1.0 -205.0 -115.0 CHI1 323 323 A 71 ARG N A 71 ARG CA A 71 ARG C A 72 ALA N 1.0 -85.0 -5.0 PSI 324 324 A 71 ARG C A 72 ALA N A 72 ALA CA A 72 ALA C 1.0 -315.0 -45.0 PHI 325 325 A 71 ARG C A 72 ALA N A 72 ALA CA A 72 ALA C 1.0 -185.0 75.0 PHI 326 326 A 72 ALA N A 72 ALA CA A 72 ALA C A 73 TYR N 1.0 -85.0 105.0 PSI 327 327 A 72 ALA C A 73 TYR N A 73 TYR CA A 73 TYR C 1.0 -185.0 -45.0 PHI 328 328 A 73 TYR N A 73 TYR CA A 73 TYR CB A 73 TYR CG 1.0 -275.0 -25.0 CHI1 329 329 A 73 TYR N A 73 TYR CA A 73 TYR CB A 73 TYR CG 1.0 -205.0 95.0 CHI1 330 330 A 73 TYR N A 73 TYR CA A 73 TYR C A 74 LEU N 1.0 -85.0 15.0 PSI 331 331 A 73 TYR C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -185.0 -45.0 PHI 332 332 A 74 LEU N A 74 LEU CA A 74 LEU CB A 74 LEU CG 1.0 -335.0 5.0 CHI1 333 333 A 74 LEU N A 74 LEU CA A 74 LEU CB A 74 LEU CG 1.0 -215.0 85.0 CHI1 334 334 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 GLU N 1.0 -85.0 5.0 PSI 335 335 A 74 LEU C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -315.0 -45.0 PHI 336 336 A 74 LEU C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -185.0 75.0 PHI 337 337 A 75 GLU N A 75 GLU CA A 75 GLU CB A 75 GLU CG 1.0 -325.0 -25.0 CHI1 338 338 A 75 GLU N A 75 GLU CA A 75 GLU CB A 75 GLU CG 1.0 -205.0 95.0 CHI1 339 339 A 75 GLU N A 75 GLU CA A 75 GLU C A 76 THR N 1.0 -85.0 95.0 PSI 340 340 A 75 GLU C A 76 THR N A 76 THR CA A 76 THR C 1.0 45.0 295.0 PHI 341 341 A 75 GLU C A 76 THR N A 76 THR CA A 76 THR C 1.0 -185.0 65.0 PHI 342 342 A 76 THR N A 76 THR CA A 76 THR CB A 76 THR OG1 1.0 -195.0 35.0 CHI1 343 343 A 76 THR N A 76 THR CA A 76 THR CB A 76 THR OG1 1.0 -75.0 195.0 CHI1 344 344 A 76 THR N A 76 THR CA A 76 THR C A 77 LYS N 1.0 25.0 115.0 PSI 345 345 A 76 THR C A 77 LYS N A 77 LYS CA A 77 LYS C 1.0 -315.0 -45.0 PHI 346 346 A 76 THR C A 77 LYS N A 77 LYS CA A 77 LYS C 1.0 -185.0 75.0 PHI 347 347 A 77 LYS N A 77 LYS CA A 77 LYS CB A 77 LYS CG 1.0 -325.0 -25.0 CHI1 348 348 A 77 LYS N A 77 LYS CA A 77 LYS CB A 77 LYS CG 1.0 -205.0 95.0 CHI1 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 HIS C A 3 MET N A 3 MET CA A 3 MET C 1.0 -117.0 -32.0 PHI 2 2 A 3 MET N A 3 MET CA A 3 MET C A 4 THR N 1.0 -69.1 28.5 PSI 3 3 A 3 MET C A 4 THR N A 4 THR CA A 4 THR C 1.0 -114.3 -52.9 PHI 4 4 A 4 THR N A 4 THR CA A 4 THR C A 5 ALA N 1.0 -58.9 11.0 PSI 5 5 A 4 THR C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -84.1 -44.1 PHI 6 6 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 VAL N 1.0 -75.1 4.7 PSI 7 7 A 5 ALA C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -83.8 -43.8 PHI 8 8 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 GLN N 1.0 -65.1 -25.1 PSI 9 9 A 6 VAL C A 7 GLN N A 7 GLN CA A 7 GLN C 1.0 -80.0 -40.0 PHI 10 10 A 7 GLN N A 7 GLN CA A 7 GLN C A 8 ASP N 1.0 -63.3 -23.3 PSI 11 11 A 7 GLN C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -86.5 -46.5 PHI 12 12 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 PHE N 1.0 -56.5 -16.5 PSI 13 13 A 8 ASP C A 9 PHE N A 9 PHE CA A 9 PHE C 1.0 -84.9 -44.9 PHI 14 14 A 9 PHE N A 9 PHE CA A 9 PHE C A 10 VAL N 1.0 -64.2 -24.2 PSI 15 15 A 9 PHE C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -84.4 -44.4 PHI 16 16 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 VAL N 1.0 -66.0 -26.0 PSI 17 17 A 10 VAL C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -83.2 -43.2 PHI 18 18 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 ASP N 1.0 -63.3 -23.3 PSI 19 19 A 11 VAL C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -86.3 -46.3 PHI 20 20 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 ILE N 1.0 -64.0 -24.0 PSI 21 21 A 12 ASP C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -82.7 -42.7 PHI 22 22 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 LEU N 1.0 -54.4 -14.4 PSI 23 23 A 13 ILE C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -85.1 -45.1 PHI 24 24 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 LEU N 1.0 -61.4 -12.2 PSI 25 25 A 14 LEU C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -104.4 -51.5 PHI 26 26 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 ASN N 1.0 -57.8 2.9 PSI 27 27 A 15 LEU C A 16 ASN N A 16 ASN CA A 16 ASN C 1.0 -139.8 -68.4 PHI 28 28 A 16 ASN N A 16 ASN CA A 16 ASN C A 17 GLY N 1.0 -42.1 8.6 PSI 29 29 A 17 GLY C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -132.4 -47.3 PHI 30 30 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 ARG N 1.0 123.6 179.1 PSI 31 31 A 19 ARG C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -104.3 -40.4 PHI 32 32 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 TRP N 1.0 -58.9 6.3 PSI 33 33 A 21 TRP C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -148.7 -53.8 PHI 34 34 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 VAL N 1.0 103.2 172.1 PSI 35 35 A 22 ASP C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -100.5 -60.5 PHI 36 36 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 LEU N 1.0 112.0 152.0 PSI 37 37 A 23 VAL C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -120.1 -63.4 PHI 38 38 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 GLN N 1.0 103.8 159.7 PSI 39 39 A 24 LEU C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -147.8 -74.6 PHI 40 40 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 THR N 1.0 90.3 153.4 PSI 41 41 A 25 GLN C A 26 THR N A 26 THR CA A 26 THR C 1.0 -141.5 -63.8 PHI 42 42 A 26 THR N A 26 THR CA A 26 THR C A 27 THR N 1.0 93.2 173.7 PSI 43 43 A 26 THR C A 27 THR N A 27 THR CA A 27 THR C 1.0 -154.8 -114.8 PHI 44 44 A 27 THR N A 27 THR CA A 27 THR C A 28 CYS N 1.0 142.5 182.8 PSI 45 45 A 27 THR C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -160.5 -100.5 PHI 46 46 A 28 CYS N A 28 CYS CA A 28 CYS C A 29 THR N 1.0 110.8 166.8 PSI 47 47 A 28 CYS C A 29 THR N A 29 THR CA A 29 THR C 1.0 -137.8 -80.4 PHI 48 48 A 29 THR N A 29 THR CA A 29 THR C A 30 VAL N 1.0 100.7 140.7 PSI 49 49 A 29 THR C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -161.8 -110.8 PHI 50 50 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 ASP N 1.0 106.9 146.9 PSI 51 51 A 30 VAL C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 31.9 71.9 PHI 52 52 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 ARG N 1.0 24.8 64.8 PSI 53 53 A 31 ASP C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 46.4 91.8 PHI 54 54 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 LYS N 1.0 -18.6 44.0 PSI 55 55 A 32 ARG C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -146.8 -72.7 PHI 56 56 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 VAL N 1.0 116.4 156.4 PSI 57 57 A 33 LYS C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -136.6 -50.1 PHI 58 58 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 TYR N 1.0 99.9 160.1 PSI 59 59 A 34 VAL C A 35 TYR N A 35 TYR CA A 35 TYR C 1.0 -138.2 -73.6 PHI 60 60 A 35 TYR N A 35 TYR CA A 35 TYR C A 36 LYS N 1.0 123.1 175.3 PSI 61 61 A 35 TYR C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -124.5 -64.4 PHI 62 62 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 THR N 1.0 81.3 200.5 PSI 63 63 A 36 LYS C A 37 THR N A 37 THR CA A 37 THR C 1.0 -162.1 -74.1 PHI 64 64 A 37 THR N A 37 THR CA A 37 THR C A 38 ILE N 1.0 137.8 197.9 PSI 65 65 A 37 THR C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -156.3 -58.8 PHI 66 66 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 CYS N 1.0 -49.6 39.7 PSI 67 67 A 38 ILE C A 39 CYS N A 39 CYS CA A 39 CYS C 1.0 -180.2 -94.4 PHI 68 68 A 39 CYS N A 39 CYS CA A 39 CYS C A 40 LYS N 1.0 143.3 183.3 PSI 69 69 A 39 CYS C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -160.2 -95.0 PHI 70 70 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 ARG N 1.0 107.0 152.6 PSI 71 71 A 40 LYS C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -176.6 -40.3 PHI 72 72 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 GLY N 1.0 81.8 150.9 PSI 73 73 A 42 GLY C A 43 ASN N A 43 ASN CA A 43 ASN C 1.0 -119.9 -79.9 PHI 74 74 A 43 ASN N A 43 ASN CA A 43 ASN C A 44 THR N 1.0 -15.1 24.9 PSI 75 75 A 43 ASN C A 44 THR N A 44 THR CA A 44 THR C 1.0 -142.0 -54.0 PHI 76 76 A 44 THR N A 44 THR CA A 44 THR C A 45 TYR N 1.0 116.7 166.4 PSI 77 77 A 44 THR C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -149.2 -101.1 PHI 78 78 A 45 TYR N A 45 TYR CA A 45 TYR C A 46 LEU N 1.0 109.6 156.3 PSI 79 79 A 45 TYR C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -128.1 -75.2 PHI 80 80 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 CYS N 1.0 105.7 151.5 PSI 81 81 A 46 LEU C A 47 CYS N A 47 CYS CA A 47 CYS C 1.0 -144.7 -94.5 PHI 82 82 A 47 CYS N A 47 CYS CA A 47 CYS C A 48 PHE N 1.0 138.7 178.7 PSI 83 83 A 47 CYS C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -152.1 -112.1 PHI 84 84 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 ASP N 1.0 119.2 169.1 PSI 85 85 A 48 PHE C A 49 ASP N A 49 ASP CA A 49 ASP C 1.0 -140.4 -62.8 PHI 86 86 A 49 ASP N A 49 ASP CA A 49 ASP C A 50 ASP N 1.0 145.0 213.3 PSI 87 87 A 49 ASP C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -82.9 -42.9 PHI 88 88 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 THR N 1.0 -48.7 -3.9 PSI 89 89 A 50 ASP C A 51 THR N A 51 THR CA A 51 THR C 1.0 -141.4 -69.0 PHI 90 90 A 51 THR N A 51 THR CA A 51 THR C A 52 ASN N 1.0 -33.7 23.3 PSI 91 91 A 52 ASN C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -175.0 -69.5 PHI 92 92 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 TYR N 1.0 133.3 173.3 PSI 93 93 A 53 LEU C A 54 TYR N A 54 TYR CA A 54 TYR C 1.0 -160.4 -108.6 PHI 94 94 A 54 TYR N A 54 TYR CA A 54 TYR C A 55 ALA N 1.0 133.4 173.4 PSI 95 95 A 54 TYR C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -137.9 -87.5 PHI 96 96 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 ILE N 1.0 106.0 146.0 PSI 97 97 A 55 ALA C A 56 ILE N A 56 ILE CA A 56 ILE C 1.0 -127.6 -87.6 PHI 98 98 A 56 ILE N A 56 ILE CA A 56 ILE C A 57 THR N 1.0 100.4 140.4 PSI 99 99 A 56 ILE C A 57 THR N A 57 THR CA A 57 THR C 1.0 -154.3 -90.6 PHI 100 100 A 57 THR N A 57 THR CA A 57 THR C A 58 GLY N 1.0 75.1 152.6 PSI 101 101 A 60 VAL C A 61 VAL N A 61 VAL CA A 61 VAL C 1.0 -134.7 -77.0 PHI 102 102 A 61 VAL N A 61 VAL CA A 61 VAL C A 62 LEU N 1.0 90.1 162.4 PSI 103 103 A 61 VAL C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -161.7 -48.1 PHI 104 104 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 LYS N 1.0 82.1 173.9 PSI 105 105 A 62 LEU C A 63 LYS N A 63 LYS CA A 63 LYS C 1.0 -158.5 -60.6 PHI 106 106 A 63 LYS N A 63 LYS CA A 63 LYS C A 64 PHE N 1.0 73.3 171.7 PSI 107 107 A 63 LYS C A 64 PHE N A 64 PHE CA A 64 PHE C 1.0 -121.5 -48.7 PHI 108 108 A 64 PHE N A 64 PHE CA A 64 PHE C A 65 ALA N 1.0 85.1 204.0 PSI 109 109 A 64 PHE C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -129.9 -43.3 PHI 110 110 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 THR N 1.0 -63.3 8.8 PSI 111 111 A 65 ALA C A 66 THR N A 66 THR CA A 66 THR C 1.0 -171.8 -82.8 PHI 112 112 A 66 THR N A 66 THR CA A 66 THR C A 67 VAL N 1.0 143.1 183.1 PSI 113 113 A 66 THR C A 67 VAL N A 67 VAL CA A 67 VAL C 1.0 -82.2 -42.2 PHI 114 114 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 SER N 1.0 -60.3 -20.3 PSI 115 115 A 67 VAL C A 68 SER N A 68 SER CA A 68 SER C 1.0 -82.4 -42.4 PHI 116 116 A 68 SER N A 68 SER CA A 68 SER C A 69 LYS N 1.0 -60.1 -20.1 PSI 117 117 A 68 SER C A 69 LYS N A 69 LYS CA A 69 LYS C 1.0 -85.5 -45.5 PHI 118 118 A 69 LYS N A 69 LYS CA A 69 LYS C A 70 ALA N 1.0 -58.7 -18.7 PSI 119 119 A 69 LYS C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -84.0 -44.0 PHI 120 120 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 ARG N 1.0 -64.6 -24.6 PSI 121 121 A 70 ALA C A 71 ARG N A 71 ARG CA A 71 ARG C 1.0 -84.0 -44.0 PHI 122 122 A 71 ARG N A 71 ARG CA A 71 ARG C A 72 ALA N 1.0 -53.9 -9.7 PSI 123 123 A 71 ARG C A 72 ALA N A 72 ALA CA A 72 ALA C 1.0 -94.9 -43.6 PHI 124 124 A 72 ALA N A 72 ALA CA A 72 ALA C A 73 TYR N 1.0 -69.9 5.5 PSI 125 125 A 72 ALA C A 73 TYR N A 73 TYR CA A 73 TYR C 1.0 -83.7 -43.7 PHI 126 126 A 73 TYR N A 73 TYR CA A 73 TYR C A 74 LEU N 1.0 -62.6 -22.6 PSI 127 127 A 73 TYR C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -86.3 -46.3 PHI 128 128 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 GLU N 1.0 -57.5 -17.5 PSI 129 129 A 74 LEU C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -124.7 -63.1 PHI 130 130 A 75 GLU N A 75 GLU CA A 75 GLU C A 76 THR N 1.0 -34.9 25.4 PSI 131 131 A 75 GLU C A 76 THR N A 76 THR CA A 76 THR C 1.0 -165.7 -25.9 PHI 132 132 A 76 THR N A 76 THR CA A 76 THR C A 77 LYS N 1.0 46.7 183.5 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 14.0021 'not observed' 2 ppm 15N 33.0001 'not observed' 3 ppm 1H 14.0021 'not observed' stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 14.0021 'not observed' 2 ppm 13C 41.0006 folded 3 ppm 1H 14.0021 'not observed' stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 14.0021 'not observed' 2 ppm 13C 28.0000 'not observed' 3 ppm 1H 14.0021 'not observed' stop_ save_