data_nef_c18046_2llf save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 15097 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 PRO start . false 2 A 2 ARG middle . . 3 A 3 LEU middle . . 4 A 4 PHE middle . . 5 A 5 GLU middle . . 6 A 6 CYS middle . . 7 A 7 SER middle . . 8 A 8 ASN middle . . 9 A 9 LYS middle . . 10 A 10 THR middle . . 11 A 11 GLY middle . false 12 A 12 ARG middle . . 13 A 13 PHE middle . . 14 A 14 LEU middle . . 15 A 15 ALA middle . . 16 A 16 THR middle . . 17 A 17 GLU middle . . 18 A 18 ILE middle . . 19 A 19 VAL middle . . 20 A 20 ASP middle . . 21 A 21 PHE middle . . 22 A 22 THR middle . . 23 A 23 GLN middle . . 24 A 24 ASP middle . . 25 A 25 ASP middle . . 26 A 26 LEU middle . . 27 A 27 ASP middle . . 28 A 28 GLU middle . . 29 A 29 ASN middle . . 30 A 30 ASP middle . . 31 A 31 VAL middle . . 32 A 32 TYR middle . . 33 A 33 LEU middle . . 34 A 34 LEU middle . . 35 A 35 ASP middle . . 36 A 36 THR middle . . 37 A 37 TRP middle . . 38 A 38 ASP middle . . 39 A 39 GLN middle . . 40 A 40 ILE middle . . 41 A 41 PHE middle . . 42 A 42 PHE middle . . 43 A 43 TRP middle . . 44 A 44 ILE middle . . 45 A 45 GLY middle . false 46 A 46 LYS middle . . 47 A 47 GLY middle . false 48 A 48 ALA middle . . 49 A 49 ASN middle . . 50 A 50 GLU middle . . 51 A 51 SER middle . . 52 A 52 GLU middle . . 53 A 53 LYS middle . . 54 A 54 GLU middle . . 55 A 55 ALA middle . . 56 A 56 ALA middle . . 57 A 57 ALA middle . . 58 A 58 GLU middle . . 59 A 59 THR middle . . 60 A 60 ALA middle . . 61 A 61 GLN middle . . 62 A 62 GLU middle . . 63 A 63 TYR middle . . 64 A 64 LEU middle . . 65 A 65 ARG middle . . 66 A 66 SER middle . . 67 A 67 HIS middle . . 68 A 68 PRO middle . false 69 A 69 GLY middle . false 70 A 70 SER middle . . 71 A 71 ARG middle . . 72 A 72 ASP middle . . 73 A 73 LEU middle . . 74 A 74 ASP middle . . 75 A 75 THR middle . . 76 A 76 PRO middle . false 77 A 77 ILE middle . . 78 A 78 ILE middle . . 79 A 79 VAL middle . . 80 A 80 VAL middle . . 81 A 81 LYS middle . . 82 A 82 GLN middle . . 83 A 83 GLY middle . false 84 A 84 PHE middle . . 85 A 85 GLU middle . . 86 A 86 PRO middle . false 87 A 87 PRO middle . false 88 A 88 THR middle . . 89 A 89 PHE middle . . 90 A 90 THR middle . . 91 A 91 GLY middle . false 92 A 92 TRP middle . . 93 A 93 PHE middle . . 94 A 94 MET middle . . 95 A 95 ALA middle . . 96 A 96 TRP middle . . 97 A 97 ASP middle . . 98 A 98 PRO middle . false 99 A 99 LEU middle . . 100 A 100 CYS middle . . 101 A 101 TRP middle . . 102 A 102 SER middle . . 103 A 103 ASP middle . . 104 A 104 ARG middle . . 105 A 105 LYS middle . . 106 A 106 SER middle . . 107 A 107 TYR end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 PRO HA H 1 4.640 0.01 A 1 PRO HBx H 1 1.750 0.01 A 1 PRO HBy H 1 1.750 0.01 A 1 PRO HDy H 1 3.640 0.01 A 1 PRO HDx H 1 3.370 0.01 A 1 PRO C C 13 171.725 0.1 A 1 PRO CA C 13 62.700 0.1 A 1 PRO CB C 13 33.720 0.1 A 1 PRO CD C 13 49.330 0.1 A 1 PRO CG C 13 26.560 0.1 A 2 ARG H H 1 8.108 0.01 A 2 ARG HA H 1 5.050 0.01 A 2 ARG HBy H 1 1.780 0.01 A 2 ARG HBx H 1 1.570 0.01 A 2 ARG HDx H 1 3.200 0.01 A 2 ARG HDy H 1 3.200 0.01 A 2 ARG C C 13 172.726 0.1 A 2 ARG CA C 13 55.200 0.1 A 2 ARG CB C 13 29.900 0.1 A 2 ARG CG C 13 26.649 0.1 A 2 ARG N N 15 117.203 0.1 A 3 LEU H H 1 8.542 0.01 A 3 LEU HA H 1 5.220 0.01 A 3 LEU HBy H 1 1.540 0.01 A 3 LEU HBx H 1 -0.270 0.01 A 3 LEU HD1% H 1 0.530 0.01 A 3 LEU HD2% H 1 0.730 0.01 A 3 LEU HG H 1 1.350 0.01 A 3 LEU C C 13 174.166 0.1 A 3 LEU CA C 13 53.000 0.1 A 3 LEU CB C 13 45.400 0.1 A 3 LEU CD1 C 13 25.800 0.1 A 3 LEU CD2 C 13 24.100 0.1 A 3 LEU CG C 13 27.000 0.1 A 3 LEU N N 15 125.261 0.1 A 4 PHE H H 1 9.591 0.01 A 4 PHE HA H 1 5.100 0.01 A 4 PHE HBy H 1 2.760 0.01 A 4 PHE HBx H 1 2.490 0.01 A 4 PHE HD1 H 1 6.850 0.01 A 4 PHE HD2 H 1 6.850 0.01 A 4 PHE HE1 H 1 7.090 0.01 A 4 PHE HE2 H 1 7.090 0.01 A 4 PHE C C 13 174.820 0.1 A 4 PHE CA C 13 56.290 0.1 A 4 PHE CB C 13 41.350 0.1 A 4 PHE CD1 C 13 131.130 0.1 A 4 PHE CD2 C 13 131.130 0.1 A 4 PHE CE1 C 13 131.130 0.1 A 4 PHE CE2 C 13 131.130 0.1 A 4 PHE N N 15 123.490 0.1 A 5 GLU H H 1 9.484 0.01 A 5 GLU HA H 1 4.020 0.01 A 5 GLU HBy H 1 2.340 0.01 A 5 GLU HBx H 1 2.200 0.01 A 5 GLU HGx H 1 1.710 0.01 A 5 GLU HGy H 1 1.900 0.01 A 5 GLU C C 13 174.892 0.1 A 5 GLU CA C 13 56.100 0.1 A 5 GLU CB C 13 32.850 0.1 A 5 GLU CG C 13 37.100 0.1 A 5 GLU N N 15 125.718 0.1 A 6 CYS H H 1 8.937 0.01 A 6 CYS HA H 1 5.020 0.01 A 6 CYS HBy H 1 3.020 0.01 A 6 CYS HBx H 1 2.660 0.01 A 6 CYS C C 13 172.378 0.1 A 6 CYS CA C 13 58.000 0.1 A 6 CYS CB C 13 29.300 0.1 A 6 CYS N N 15 127.915 0.1 A 7 SER H H 1 7.873 0.01 A 7 SER HA H 1 5.420 0.01 A 7 SER HBx H 1 3.420 0.01 A 7 SER HBy H 1 3.420 0.01 A 7 SER C C 13 175.632 0.1 A 7 SER CA C 13 55.400 0.1 A 7 SER CB C 13 65.900 0.1 A 7 SER N N 15 113.574 0.1 A 8 ASN H H 1 10.299 0.01 A 8 ASN HA H 1 5.640 0.01 A 8 ASN HBx H 1 2.580 0.01 A 8 ASN HBy H 1 3.270 0.01 A 8 ASN HD2y H 1 8.040 0.01 A 8 ASN HD2x H 1 7.100 0.01 A 8 ASN C C 13 178.392 0.1 A 8 ASN CA C 13 51.500 0.1 A 8 ASN CB C 13 38.100 0.1 A 8 ASN N N 15 126.153 0.1 A 8 ASN ND2 N 15 111.260 0.1 A 9 LYS H H 1 9.064 0.01 A 9 LYS HA H 1 4.230 0.01 A 9 LYS HBx H 1 2.040 0.01 A 9 LYS HBy H 1 2.040 0.01 A 9 LYS HGx H 1 2.350 0.01 A 9 LYS HGy H 1 2.350 0.01 A 9 LYS C C 13 177.891 0.1 A 9 LYS CA C 13 59.800 0.1 A 9 LYS CB C 13 31.900 0.1 A 9 LYS CG C 13 23.690 0.1 A 9 LYS N N 15 123.420 0.1 A 10 THR H H 1 8.525 0.01 A 10 THR HA H 1 4.480 0.01 A 10 THR HB H 1 4.530 0.01 A 10 THR HG2% H 1 1.300 0.01 A 10 THR C C 13 175.392 0.1 A 10 THR CA C 13 63.100 0.1 A 10 THR CB C 13 70.100 0.1 A 10 THR CG2 C 13 21.700 0.1 A 10 THR N N 15 110.292 0.1 A 11 GLY H H 1 8.266 0.01 A 11 GLY HAy H 1 4.640 0.01 A 11 GLY HAx H 1 3.630 0.01 A 11 GLY C C 13 172.867 0.1 A 11 GLY CA C 13 44.700 0.1 A 11 GLY N N 15 110.668 0.1 A 12 ARG H H 1 7.538 0.01 A 12 ARG HA H 1 4.660 0.01 A 12 ARG HBx H 1 1.770 0.01 A 12 ARG HBy H 1 1.770 0.01 A 12 ARG HDx H 1 3.190 0.01 A 12 ARG HDy H 1 3.190 0.01 A 12 ARG HGy H 1 1.590 0.01 A 12 ARG HGx H 1 1.450 0.01 A 12 ARG C C 13 173.924 0.1 A 12 ARG CA C 13 53.900 0.1 A 12 ARG CB C 13 32.800 0.1 A 12 ARG CD C 13 43.650 0.1 A 12 ARG CG C 13 26.100 0.1 A 12 ARG N N 15 118.170 0.1 A 13 PHE H H 1 8.926 0.01 A 13 PHE HA H 1 4.534 0.01 A 13 PHE HBy H 1 3.120 0.01 A 13 PHE HBx H 1 2.910 0.01 A 13 PHE HD1 H 1 6.960 0.01 A 13 PHE HD2 H 1 6.960 0.01 A 13 PHE HE1 H 1 7.180 0.01 A 13 PHE HE2 H 1 7.180 0.01 A 13 PHE C C 13 174.005 0.1 A 13 PHE CA C 13 59.500 0.1 A 13 PHE CB C 13 39.000 0.1 A 13 PHE CD1 C 13 131.700 0.1 A 13 PHE CD2 C 13 131.700 0.1 A 13 PHE CE1 C 13 131.700 0.1 A 13 PHE CE2 C 13 131.700 0.1 A 13 PHE N N 15 121.956 0.1 A 14 LEU H H 1 8.114 0.01 A 14 LEU HA H 1 4.310 0.01 A 14 LEU HBx H 1 1.270 0.01 A 14 LEU HBy H 1 1.540 0.01 A 14 LEU HD1% H 1 0.880 0.01 A 14 LEU HG H 1 1.430 0.01 A 14 LEU C C 13 173.801 0.1 A 14 LEU CA C 13 54.200 0.1 A 14 LEU CB C 13 46.600 0.1 A 14 LEU CD1 C 13 25.400 0.1 A 14 LEU CD2 C 13 23.800 0.1 A 14 LEU CG C 13 26.400 0.1 A 14 LEU N N 15 129.824 0.1 A 15 ALA H H 1 8.234 0.01 A 15 ALA HA H 1 5.530 0.01 A 15 ALA HB% H 1 1.240 0.01 A 15 ALA C C 13 177.178 0.1 A 15 ALA CA C 13 49.800 0.1 A 15 ALA CB C 13 20.800 0.1 A 15 ALA N N 15 125.201 0.1 A 16 THR H H 1 9.149 0.01 A 16 THR HA H 1 4.654 0.01 A 16 THR HB H 1 4.040 0.01 A 16 THR HG21 H 1 1.300 0.01 A 16 THR HG22 H 1 1.300 0.01 A 16 THR HG23 H 1 1.280 0.01 A 16 THR C C 13 173.434 0.1 A 16 THR CA C 13 61.261 0.1 A 16 THR CB C 13 71.500 0.1 A 16 THR CG2 C 13 21.200 0.1 A 16 THR N N 15 119.393 0.1 A 17 GLU H H 1 9.269 0.01 A 17 GLU HA H 1 4.390 0.01 A 17 GLU HBx H 1 1.840 0.01 A 17 GLU HBy H 1 1.840 0.01 A 17 GLU HGx H 1 1.720 0.01 A 17 GLU HGy H 1 1.720 0.01 A 17 GLU C C 13 175.799 0.1 A 17 GLU CA C 13 56.800 0.1 A 17 GLU CB C 13 29.400 0.1 A 17 GLU CG C 13 36.100 0.1 A 17 GLU N N 15 128.928 0.1 A 18 ILE H H 1 8.814 0.01 A 18 ILE HA H 1 4.390 0.01 A 18 ILE HB H 1 1.890 0.01 A 18 ILE HD1% H 1 0.960 0.01 A 18 ILE HG1x H 1 1.430 0.01 A 18 ILE HG1y H 1 1.430 0.01 A 18 ILE HG2% H 1 0.960 0.01 A 18 ILE C C 13 176.202 0.1 A 18 ILE CA C 13 59.700 0.1 A 18 ILE CB C 13 38.100 0.1 A 18 ILE CD1 C 13 17.700 0.1 A 18 ILE CG1 C 13 26.700 0.1 A 18 ILE CG2 C 13 17.700 0.1 A 18 ILE N N 15 129.185 0.1 A 19 VAL H H 1 8.600 0.01 A 19 VAL HA H 1 4.280 0.01 A 19 VAL HB H 1 2.090 0.01 A 19 VAL HG1% H 1 0.970 0.01 A 19 VAL HG2% H 1 1.000 0.01 A 19 VAL C C 13 175.632 0.1 A 19 VAL CA C 13 62.600 0.1 A 19 VAL CB C 13 32.500 0.1 A 19 VAL CG1 C 13 21.000 0.1 A 19 VAL CG2 C 13 21.000 0.1 A 19 VAL N N 15 127.068 0.1 A 20 ASP H H 1 9.037 0.01 A 20 ASP HA H 1 4.290 0.01 A 20 ASP HBy H 1 2.770 0.01 A 20 ASP HBx H 1 2.700 0.01 A 20 ASP C C 13 175.742 0.1 A 20 ASP CA C 13 55.100 0.1 A 20 ASP CB C 13 39.000 0.1 A 20 ASP N N 15 122.793 0.1 A 21 PHE H H 1 6.542 0.01 A 21 PHE HA H 1 4.810 0.01 A 21 PHE HBx H 1 2.810 0.01 A 21 PHE HBy H 1 3.070 0.01 A 21 PHE HD1 H 1 6.940 0.01 A 21 PHE HD2 H 1 6.940 0.01 A 21 PHE HE1 H 1 6.500 0.01 A 21 PHE HE2 H 1 6.500 0.01 A 21 PHE C C 13 175.062 0.1 A 21 PHE CA C 13 56.200 0.1 A 21 PHE CB C 13 41.900 0.1 A 21 PHE CD1 C 13 133.300 0.1 A 21 PHE CD2 C 13 133.300 0.1 A 21 PHE CE1 C 13 130.800 0.1 A 21 PHE CE2 C 13 130.800 0.1 A 21 PHE N N 15 113.443 0.1 A 22 THR H H 1 9.640 0.01 A 22 THR HA H 1 4.900 0.01 A 22 THR HB H 1 4.680 0.01 A 22 THR HG2% H 1 1.310 0.01 A 22 THR C C 13 175.307 0.1 A 22 THR CA C 13 60.400 0.1 A 22 THR CB C 13 73.300 0.1 A 22 THR CG2 C 13 22.100 0.1 A 22 THR N N 15 112.200 0.1 A 23 GLN H H 1 9.766 0.01 A 23 GLN HA H 1 3.680 0.01 A 23 GLN HBx H 1 1.690 0.01 A 23 GLN HBy H 1 1.690 0.01 A 23 GLN HGy H 1 1.900 0.01 A 23 GLN HGx H 1 1.240 0.01 A 23 GLN C C 13 176.527 0.1 A 23 GLN CA C 13 59.000 0.1 A 23 GLN CB C 13 27.600 0.1 A 23 GLN CG C 13 32.400 0.1 A 23 GLN N N 15 122.406 0.1 A 24 ASP H H 1 7.760 0.01 A 24 ASP HA H 1 4.100 0.01 A 24 ASP HBx H 1 2.370 0.01 A 24 ASP HBy H 1 2.560 0.01 A 24 ASP C C 13 176.528 0.1 A 24 ASP CA C 13 55.900 0.1 A 24 ASP CB C 13 40.760 0.1 A 24 ASP N N 15 114.153 0.1 A 25 ASP H H 1 7.655 0.01 A 25 ASP HA H 1 4.540 0.01 A 25 ASP HBx H 1 2.850 0.01 A 25 ASP HBy H 1 2.850 0.01 A 25 ASP C C 13 175.059 0.1 A 25 ASP CA C 13 56.200 0.1 A 25 ASP CB C 13 42.500 0.1 A 25 ASP N N 15 116.379 0.1 A 26 LEU H H 1 7.309 0.01 A 26 LEU HA H 1 3.280 0.01 A 26 LEU HBy H 1 1.830 0.01 A 26 LEU HBx H 1 0.114 0.01 A 26 LEU HD2% H 1 -0.384 0.01 A 26 LEU C C 13 174.177 0.1 A 26 LEU CA C 13 53.900 0.1 A 26 LEU CB C 13 39.300 0.1 A 26 LEU CD1 C 13 25.900 0.1 A 26 LEU CD2 C 13 25.900 0.1 A 26 LEU CG C 13 25.900 0.1 A 26 LEU N N 15 118.095 0.1 A 27 ASP H H 1 8.612 0.01 A 27 ASP HA H 1 4.800 0.01 A 27 ASP HBy H 1 3.550 0.01 A 27 ASP HBx H 1 2.730 0.01 A 27 ASP C C 13 177.178 0.1 A 27 ASP CA C 13 54.500 0.1 A 27 ASP CB C 13 43.500 0.1 A 27 ASP N N 15 127.757 0.1 A 28 GLU H H 1 8.632 0.01 A 28 GLU HA H 1 4.390 0.01 A 28 GLU HBx H 1 1.810 0.01 A 28 GLU HBy H 1 2.730 0.01 A 28 GLU HGx H 1 2.170 0.01 A 28 GLU HGy H 1 2.350 0.01 A 28 GLU C C 13 175.019 0.1 A 28 GLU CA C 13 57.700 0.1 A 28 GLU CB C 13 29.600 0.1 A 28 GLU CG C 13 34.600 0.1 A 28 GLU N N 15 124.674 0.1 A 29 ASN H H 1 9.360 0.01 A 29 ASN HA H 1 4.630 0.01 A 29 ASN HBy H 1 3.070 0.01 A 29 ASN HBx H 1 2.790 0.01 A 29 ASN HD2y H 1 7.950 0.01 A 29 ASN HD2x H 1 7.190 0.01 A 29 ASN C C 13 175.382 0.1 A 29 ASN CA C 13 52.800 0.1 A 29 ASN CB C 13 40.000 0.1 A 29 ASN N N 15 115.882 0.1 A 29 ASN ND2 N 15 116.310 0.1 A 30 ASP H H 1 8.710 0.01 A 30 ASP HA H 1 5.550 0.01 A 30 ASP HBx H 1 2.930 0.01 A 30 ASP HBy H 1 2.930 0.01 A 30 ASP C C 13 172.009 0.1 A 30 ASP CA C 13 54.200 0.1 A 30 ASP CB C 13 44.800 0.1 A 30 ASP N N 15 127.013 0.1 A 31 VAL H H 1 7.364 0.01 A 31 VAL HA H 1 5.400 0.01 A 31 VAL HB H 1 2.137 0.01 A 31 VAL HG1% H 1 0.780 0.01 A 31 VAL HG2% H 1 0.980 0.01 A 31 VAL C C 13 173.273 0.1 A 31 VAL CA C 13 60.000 0.1 A 31 VAL CB C 13 34.800 0.1 A 31 VAL CG1 C 13 23.000 0.1 A 31 VAL CG2 C 13 23.000 0.1 A 31 VAL N N 15 112.784 0.1 A 32 TYR H H 1 9.698 0.01 A 32 TYR HA H 1 5.670 0.01 A 32 TYR HBx H 1 2.920 0.01 A 32 TYR HBy H 1 2.920 0.01 A 32 TYR C C 13 174.735 0.1 A 32 TYR CA C 13 56.800 0.1 A 32 TYR CB C 13 43.100 0.1 A 32 TYR N N 15 120.917 0.1 A 33 LEU H H 1 9.111 0.01 A 33 LEU HA H 1 5.710 0.01 A 33 LEU HBy H 1 1.900 0.01 A 33 LEU HBx H 1 1.190 0.01 A 33 LEU C C 13 175.551 0.1 A 33 LEU CA C 13 52.480 0.1 A 33 LEU CB C 13 44.285 0.1 A 33 LEU N N 15 119.790 0.1 A 34 LEU H H 1 9.847 0.01 A 34 LEU HA H 1 5.410 0.01 A 34 LEU HBx H 1 1.170 0.01 A 34 LEU HBy H 1 2.410 0.01 A 34 LEU HD1% H 1 0.440 0.01 A 34 LEU HD2% H 1 0.440 0.01 A 34 LEU C C 13 174.819 0.1 A 34 LEU CA C 13 53.320 0.1 A 34 LEU CB C 13 44.580 0.1 A 34 LEU CD1 C 13 27.000 0.1 A 34 LEU CD2 C 13 27.000 0.1 A 34 LEU CG C 13 27.000 0.1 A 34 LEU N N 15 125.829 0.1 A 35 ASP H H 1 9.740 0.01 A 35 ASP HA H 1 5.140 0.01 A 35 ASP HBx H 1 2.560 0.01 A 35 ASP HBy H 1 3.190 0.01 A 35 ASP C C 13 176.690 0.1 A 35 ASP CA C 13 53.600 0.1 A 35 ASP CB C 13 42.200 0.1 A 35 ASP N N 15 126.739 0.1 A 36 THR H H 1 8.596 0.01 A 36 THR HA H 1 4.290 0.01 A 36 THR HB H 1 4.170 0.01 A 36 THR HG2% H 1 0.480 0.01 A 36 THR C C 13 175.471 0.1 A 36 THR CA C 13 60.800 0.1 A 36 THR CB C 13 68.500 0.1 A 36 THR CG2 C 13 21.200 0.1 A 36 THR N N 15 118.603 0.1 A 37 TRP H H 1 9.090 0.01 A 37 TRP HA H 1 4.050 0.01 A 37 TRP HBx H 1 3.380 0.01 A 37 TRP HBy H 1 3.380 0.01 A 37 TRP HD1 H 1 7.290 0.01 A 37 TRP HE1 H 1 10.101 0.01 A 37 TRP HH2 H 1 7.125 0.01 A 37 TRP HZ2 H 1 7.510 0.01 A 37 TRP C C 13 177.341 0.1 A 37 TRP CA C 13 61.800 0.1 A 37 TRP CB C 13 29.000 0.1 A 37 TRP CD1 C 13 127.400 0.1 A 37 TRP CH2 C 13 124.600 0.1 A 37 TRP CZ2 C 13 114.660 0.1 A 37 TRP N N 15 122.021 0.1 A 37 TRP NE1 N 15 128.820 0.1 A 38 ASP H H 1 8.676 0.01 A 38 ASP HA H 1 4.390 0.01 A 38 ASP HBy H 1 2.850 0.01 A 38 ASP HBx H 1 2.660 0.01 A 38 ASP CA C 13 56.000 0.1 A 38 ASP CB C 13 41.300 0.1 A 38 ASP N N 15 117.786 0.1 A 39 GLN H H 1 7.325 0.01 A 39 GLN HA H 1 4.490 0.01 A 39 GLN HBx H 1 1.700 0.01 A 39 GLN HBy H 1 1.700 0.01 A 39 GLN HGx H 1 1.900 0.01 A 39 GLN HGy H 1 1.900 0.01 A 39 GLN C C 13 173.398 0.1 A 39 GLN CA C 13 54.800 0.1 A 39 GLN CB C 13 32.200 0.1 A 39 GLN CG C 13 32.900 0.1 A 39 GLN N N 15 110.693 0.1 A 40 ILE H H 1 8.663 0.01 A 40 ILE HA H 1 4.980 0.01 A 40 ILE HB H 1 1.870 0.01 A 40 ILE HG1x H 1 1.080 0.01 A 40 ILE HG1y H 1 1.440 0.01 A 40 ILE HG2% H 1 0.810 0.01 A 40 ILE C C 13 175.143 0.1 A 40 ILE CA C 13 60.100 0.1 A 40 ILE CB C 13 39.700 0.1 A 40 ILE CG1 C 13 28.000 0.1 A 40 ILE CG2 C 13 17.430 0.1 A 40 ILE N N 15 120.287 0.1 A 41 PHE H H 1 9.555 0.01 A 41 PHE HA H 1 5.490 0.01 A 41 PHE HBy H 1 3.540 0.01 A 41 PHE HBx H 1 3.290 0.01 A 41 PHE C C 13 174.167 0.1 A 41 PHE CA C 13 57.400 0.1 A 41 PHE CB C 13 42.200 0.1 A 41 PHE N N 15 124.653 0.1 A 42 PHE H H 1 9.647 0.01 A 42 PHE HA H 1 5.580 0.01 A 42 PHE HBy H 1 3.380 0.01 A 42 PHE HBx H 1 2.560 0.01 A 42 PHE C C 13 172.940 0.1 A 42 PHE CA C 13 54.700 0.1 A 42 PHE CB C 13 41.000 0.1 A 42 PHE N N 15 128.681 0.1 A 43 TRP H H 1 9.997 0.01 A 43 TRP HA H 1 5.280 0.01 A 43 TRP HBy H 1 3.680 0.01 A 43 TRP HBx H 1 2.770 0.01 A 43 TRP HD1 H 1 6.100 0.01 A 43 TRP HE1 H 1 12.166 0.01 A 43 TRP HH2 H 1 6.310 0.01 A 43 TRP HZ2 H 1 6.860 0.01 A 43 TRP C C 13 175.877 0.1 A 43 TRP CA C 13 58.000 0.1 A 43 TRP CB C 13 32.200 0.1 A 43 TRP CD1 C 13 127.640 0.1 A 43 TRP CH2 C 13 123.100 0.1 A 43 TRP CZ2 C 13 113.700 0.1 A 43 TRP N N 15 128.634 0.1 A 43 TRP NE1 N 15 130.930 0.1 A 44 ILE H H 1 8.359 0.01 A 44 ILE HA H 1 4.150 0.01 A 44 ILE HB H 1 1.610 0.01 A 44 ILE HG1y H 1 2.920 0.01 A 44 ILE HG2% H 1 0.780 0.01 A 44 ILE C C 13 175.190 0.1 A 44 ILE CA C 13 60.500 0.1 A 44 ILE CB C 13 39.300 0.1 A 44 ILE CG1 C 13 27.400 0.1 A 44 ILE CG2 C 13 18.200 0.1 A 44 ILE N N 15 126.166 0.1 A 45 GLY H H 1 7.603 0.01 A 45 GLY HAy H 1 3.960 0.01 A 45 GLY HAx H 1 3.520 0.01 A 45 GLY C C 13 176.163 0.1 A 45 GLY CA C 13 46.600 0.1 A 45 GLY N N 15 119.260 0.1 A 46 LYS H H 1 9.104 0.01 A 46 LYS HA H 1 4.070 0.01 A 46 LYS HBx H 1 1.710 0.01 A 46 LYS HBy H 1 1.710 0.01 A 46 LYS HDx H 1 1.530 0.01 A 46 LYS HDy H 1 1.530 0.01 A 46 LYS HGx H 1 1.530 0.01 A 46 LYS HGy H 1 1.530 0.01 A 46 LYS C C 13 177.700 0.1 A 46 LYS CA C 13 59.200 0.1 A 46 LYS CB C 13 32.400 0.1 A 46 LYS CG C 13 24.800 0.1 A 46 LYS N N 15 124.868 0.1 A 47 GLY H H 1 8.954 0.01 A 47 GLY HAy H 1 4.490 0.01 A 47 GLY HAx H 1 4.230 0.01 A 47 GLY C C 13 175.326 0.1 A 47 GLY CA C 13 44.200 0.1 A 47 GLY N N 15 106.230 0.1 A 48 ALA H H 1 7.484 0.01 A 48 ALA HA H 1 4.620 0.01 A 48 ALA HB% H 1 1.330 0.01 A 48 ALA C C 13 177.829 0.1 A 48 ALA CA C 13 52.700 0.1 A 48 ALA CB C 13 19.900 0.1 A 48 ALA N N 15 125.925 0.1 A 49 ASN H H 1 8.921 0.01 A 49 ASN HA H 1 5.100 0.01 A 49 ASN HBy H 1 3.300 0.01 A 49 ASN HBx H 1 2.810 0.01 A 49 ASN C C 13 175.874 0.1 A 49 ASN CA C 13 51.600 0.1 A 49 ASN CB C 13 41.000 0.1 A 49 ASN N N 15 119.683 0.1 A 50 GLU H H 1 8.828 0.01 A 50 GLU HA H 1 4.000 0.01 A 50 GLU HBx H 1 2.090 0.01 A 50 GLU HBy H 1 2.150 0.01 A 50 GLU HGx H 1 2.460 0.01 A 50 GLU HGy H 1 2.460 0.01 A 50 GLU C C 13 178.722 0.1 A 50 GLU CA C 13 59.600 0.1 A 50 GLU CB C 13 29.600 0.1 A 50 GLU CG C 13 36.200 0.1 A 50 GLU N N 15 118.057 0.1 A 51 SER H H 1 8.401 0.01 A 51 SER HA H 1 4.350 0.01 A 51 SER HBx H 1 3.930 0.01 A 51 SER HBy H 1 3.930 0.01 A 51 SER C C 13 177.932 0.1 A 51 SER CA C 13 61.800 0.1 A 51 SER CB C 13 62.700 0.1 A 51 SER N N 15 115.397 0.1 A 52 GLU H H 1 8.566 0.01 A 52 GLU HA H 1 4.100 0.01 A 52 GLU HBx H 1 2.000 0.01 A 52 GLU HBy H 1 2.460 0.01 A 52 GLU HGx H 1 2.710 0.01 A 52 GLU HGy H 1 2.710 0.01 A 52 GLU C C 13 177.665 0.1 A 52 GLU CA C 13 59.200 0.1 A 52 GLU CB C 13 28.400 0.1 A 52 GLU CG C 13 36.400 0.1 A 52 GLU N N 15 122.271 0.1 A 53 LYS H H 1 7.704 0.01 A 53 LYS HA H 1 4.040 0.01 A 53 LYS HBx H 1 2.060 0.01 A 53 LYS HBy H 1 2.060 0.01 A 53 LYS HDx H 1 1.690 0.01 A 53 LYS HDy H 1 1.690 0.01 A 53 LYS HGx H 1 1.690 0.01 A 53 LYS HGy H 1 1.690 0.01 A 53 LYS C C 13 178.727 0.1 A 53 LYS CA C 13 60.900 0.1 A 53 LYS CB C 13 32.600 0.1 A 53 LYS CD C 13 26.100 0.1 A 53 LYS CG C 13 26.100 0.1 A 53 LYS N N 15 119.319 0.1 A 54 GLU H H 1 8.173 0.01 A 54 GLU HA H 1 4.060 0.01 A 54 GLU HBx H 1 2.090 0.01 A 54 GLU HBy H 1 2.090 0.01 A 54 GLU HGx H 1 2.260 0.01 A 54 GLU HGy H 1 2.460 0.01 A 54 GLU C C 13 179.211 0.1 A 54 GLU CA C 13 59.500 0.1 A 54 GLU CB C 13 29.900 0.1 A 54 GLU CG C 13 36.300 0.1 A 54 GLU N N 15 119.268 0.1 A 55 ALA H H 1 7.954 0.01 A 55 ALA HA H 1 3.950 0.01 A 55 ALA HB% H 1 0.300 0.01 A 55 ALA C C 13 180.920 0.1 A 55 ALA CA C 13 54.500 0.1 A 55 ALA CB C 13 15.800 0.1 A 55 ALA N N 15 121.311 0.1 A 56 ALA H H 1 8.393 0.01 A 56 ALA HA H 1 4.020 0.01 A 56 ALA HB% H 1 1.490 0.01 A 56 ALA C C 13 178.383 0.1 A 56 ALA CA C 13 55.400 0.1 A 56 ALA CB C 13 19.600 0.1 A 56 ALA N N 15 123.395 0.1 A 57 ALA H H 1 7.690 0.01 A 57 ALA HA H 1 3.920 0.01 A 57 ALA HB% H 1 1.550 0.01 A 57 ALA C C 13 180.433 0.1 A 57 ALA CA C 13 55.700 0.1 A 57 ALA CB C 13 17.700 0.1 A 57 ALA N N 15 120.754 0.1 A 58 GLU H H 1 7.423 0.01 A 58 GLU HA H 1 4.100 0.01 A 58 GLU HBx H 1 2.080 0.01 A 58 GLU HBy H 1 2.080 0.01 A 58 GLU HGy H 1 2.410 0.01 A 58 GLU HGx H 1 2.260 0.01 A 58 GLU C C 13 179.210 0.1 A 58 GLU CA C 13 59.200 0.1 A 58 GLU CB C 13 29.300 0.1 A 58 GLU CG C 13 36.000 0.1 A 58 GLU N N 15 118.337 0.1 A 59 THR H H 1 8.354 0.01 A 59 THR HA H 1 3.860 0.01 A 59 THR HB H 1 4.360 0.01 A 59 THR HG2% H 1 0.960 0.01 A 59 THR C C 13 175.722 0.1 A 59 THR CA C 13 67.420 0.1 A 59 THR CB C 13 68.590 0.1 A 59 THR CG2 C 13 20.600 0.1 A 59 THR N N 15 118.744 0.1 A 60 ALA H H 1 8.294 0.01 A 60 ALA HA H 1 3.730 0.01 A 60 ALA HB% H 1 1.490 0.01 A 60 ALA C C 13 178.155 0.1 A 60 ALA CA C 13 55.700 0.1 A 60 ALA CB C 13 17.800 0.1 A 60 ALA N N 15 122.991 0.1 A 61 GLN H H 1 7.215 0.01 A 61 GLN HA H 1 3.990 0.01 A 61 GLN HBx H 1 2.200 0.01 A 61 GLN HBy H 1 2.200 0.01 A 61 GLN HGx H 1 2.510 0.01 A 61 GLN HGy H 1 2.510 0.01 A 61 GLN C C 13 178.640 0.1 A 61 GLN CA C 13 58.920 0.1 A 61 GLN CB C 13 28.460 0.1 A 61 GLN CG C 13 33.670 0.1 A 61 GLN N N 15 113.649 0.1 A 62 GLU H H 1 8.126 0.01 A 62 GLU HA H 1 4.040 0.01 A 62 GLU HBx H 1 2.120 0.01 A 62 GLU HBy H 1 2.120 0.01 A 62 GLU HGx H 1 2.360 0.01 A 62 GLU HGy H 1 2.360 0.01 A 62 GLU C C 13 179.047 0.1 A 62 GLU CA C 13 59.200 0.1 A 62 GLU CB C 13 29.300 0.1 A 62 GLU N N 15 120.684 0.1 A 63 TYR H H 1 8.796 0.01 A 63 TYR HA H 1 4.230 0.01 A 63 TYR HBx H 1 3.000 0.01 A 63 TYR HBy H 1 3.000 0.01 A 63 TYR HD1 H 1 6.760 0.01 A 63 TYR HD2 H 1 6.760 0.01 A 63 TYR HE1 H 1 6.540 0.01 A 63 TYR HE2 H 1 6.540 0.01 A 63 TYR C C 13 178.643 0.1 A 63 TYR CA C 13 60.100 0.1 A 63 TYR CB C 13 37.800 0.1 A 63 TYR CD1 C 13 131.960 0.1 A 63 TYR CD2 C 13 131.960 0.1 A 63 TYR CE1 C 13 117.720 0.1 A 63 TYR CE2 C 13 117.720 0.1 A 63 TYR N N 15 122.118 0.1 A 64 LEU H H 1 7.799 0.01 A 64 LEU HA H 1 3.680 0.01 A 64 LEU HBy H 1 1.920 0.01 A 64 LEU HBx H 1 1.290 0.01 A 64 LEU HD1% H 1 0.850 0.01 A 64 LEU HD2% H 1 0.630 0.01 A 64 LEU HG H 1 1.780 0.01 A 64 LEU C C 13 178.475 0.1 A 64 LEU CA C 13 58.000 0.1 A 64 LEU CB C 13 42.500 0.1 A 64 LEU CD1 C 13 25.700 0.1 A 64 LEU CD2 C 13 22.300 0.1 A 64 LEU N N 15 119.163 0.1 A 65 ARG H H 1 7.842 0.01 A 65 ARG HA H 1 4.070 0.01 A 65 ARG HBx H 1 1.900 0.01 A 65 ARG HBy H 1 1.900 0.01 A 65 ARG HDx H 1 3.220 0.01 A 65 ARG HDy H 1 3.220 0.01 A 65 ARG HGx H 1 1.710 0.01 A 65 ARG HGy H 1 1.710 0.01 A 65 ARG C C 13 177.464 0.1 A 65 ARG CA C 13 58.600 0.1 A 65 ARG CB C 13 30.800 0.1 A 65 ARG CD C 13 43.680 0.1 A 65 ARG CG C 13 28.100 0.1 A 65 ARG N N 15 116.868 0.1 A 66 SER H H 1 7.907 0.01 A 66 SER HA H 1 4.360 0.01 A 66 SER HBx H 1 3.960 0.01 A 66 SER HBy H 1 3.960 0.01 A 66 SER C C 13 174.087 0.1 A 66 SER CA C 13 59.440 0.1 A 66 SER CB C 13 64.120 0.1 A 66 SER N N 15 112.527 0.1 A 67 HIS H H 1 7.515 0.01 A 67 HIS HA H 1 4.660 0.01 A 67 HIS CA C 13 55.400 0.1 A 67 HIS CB C 13 29.600 0.1 A 67 HIS N N 15 123.090 0.1 A 68 PRO HBy H 1 3.550 0.01 A 68 PRO HBx H 1 2.540 0.01 A 68 PRO C C 13 176.365 0.1 A 68 PRO CB C 13 38.360 0.1 A 69 GLY H H 1 8.166 0.01 A 69 GLY HAy H 1 4.130 0.01 A 69 GLY HAx H 1 3.980 0.01 A 69 GLY C C 13 174.331 0.1 A 69 GLY CA C 13 45.700 0.1 A 69 GLY N N 15 124.202 0.1 A 70 SER H H 1 8.280 0.01 A 70 SER HA H 1 4.450 0.01 A 70 SER HBx H 1 3.980 0.01 A 70 SER HBy H 1 3.980 0.01 A 70 SER C C 13 174.329 0.1 A 70 SER CA C 13 58.640 0.1 A 70 SER CB C 13 63.040 0.1 A 70 SER N N 15 115.467 0.1 A 71 ARG H H 1 8.341 0.01 A 71 ARG HA H 1 4.230 0.01 A 71 ARG HBx H 1 1.520 0.01 A 71 ARG HBy H 1 1.520 0.01 A 71 ARG C C 13 175.793 0.1 A 71 ARG CA C 13 55.100 0.1 A 71 ARG CB C 13 31.400 0.1 A 71 ARG CG C 13 26.670 0.1 A 71 ARG N N 15 120.585 0.1 A 72 ASP H H 1 8.471 0.01 A 72 ASP HA H 1 4.440 0.01 A 72 ASP HBx H 1 2.650 0.01 A 72 ASP HBy H 1 2.650 0.01 A 72 ASP C C 13 178.038 0.1 A 72 ASP CA C 13 54.530 0.1 A 72 ASP CB C 13 40.770 0.1 A 72 ASP N N 15 120.258 0.1 A 73 LEU H H 1 8.826 0.01 A 73 LEU HA H 1 4.090 0.01 A 73 LEU HBx H 1 1.610 0.01 A 73 LEU HBy H 1 1.780 0.01 A 73 LEU HD1% H 1 0.990 0.01 A 73 LEU HD2% H 1 0.840 0.01 A 73 LEU C C 13 177.417 0.1 A 73 LEU CA C 13 57.000 0.1 A 73 LEU CB C 13 41.000 0.1 A 73 LEU CD1 C 13 25.200 0.1 A 73 LEU CD2 C 13 23.200 0.1 A 73 LEU N N 15 127.518 0.1 A 74 ASP H H 1 8.480 0.01 A 74 ASP HA H 1 4.740 0.01 A 74 ASP HBx H 1 2.730 0.01 A 74 ASP HBy H 1 2.730 0.01 A 74 ASP C C 13 175.765 0.1 A 74 ASP CA C 13 53.900 0.1 A 74 ASP CB C 13 40.470 0.1 A 74 ASP N N 15 117.787 0.1 A 75 THR H H 1 7.303 0.01 A 75 THR HA H 1 4.210 0.01 A 75 THR HB H 1 3.910 0.01 A 75 THR HG2% H 1 0.980 0.01 A 75 THR CA C 13 62.440 0.1 A 75 THR CB C 13 70.940 0.1 A 75 THR CG2 C 13 20.000 0.1 A 75 THR N N 15 119.682 0.1 A 76 PRO HA H 1 4.240 0.01 A 76 PRO HBx H 1 1.750 0.01 A 76 PRO HBy H 1 2.270 0.01 A 76 PRO HDx H 1 3.960 0.01 A 76 PRO HDy H 1 3.960 0.01 A 76 PRO HGx H 1 2.050 0.01 A 76 PRO HGy H 1 2.050 0.01 A 76 PRO C C 13 174.823 0.1 A 76 PRO CA C 13 63.600 0.1 A 76 PRO CB C 13 33.100 0.1 A 76 PRO CG C 13 27.600 0.1 A 77 ILE H H 1 8.052 0.01 A 77 ILE HA H 1 4.990 0.01 A 77 ILE HB H 1 1.780 0.01 A 77 ILE HG1y H 1 1.610 0.01 A 77 ILE HG1x H 1 1.010 0.01 A 77 ILE HG2% H 1 0.770 0.01 A 77 ILE C C 13 176.571 0.1 A 77 ILE CA C 13 59.500 0.1 A 77 ILE CB C 13 38.100 0.1 A 77 ILE CG1 C 13 27.400 0.1 A 77 ILE CG2 C 13 17.500 0.1 A 77 ILE N N 15 121.906 0.1 A 78 ILE H H 1 8.977 0.01 A 78 ILE HA H 1 4.300 0.01 A 78 ILE HB H 1 1.710 0.01 A 78 ILE HD1% H 1 0.640 0.01 A 78 ILE HG1y H 1 1.200 0.01 A 78 ILE HG1x H 1 1.010 0.01 A 78 ILE HG2% H 1 1.010 0.01 A 78 ILE C C 13 175.471 0.1 A 78 ILE CA C 13 59.800 0.1 A 78 ILE CB C 13 39.300 0.1 A 78 ILE CD1 C 13 12.500 0.1 A 78 ILE CG1 C 13 26.900 0.1 A 78 ILE CG2 C 13 17.000 0.1 A 78 ILE N N 15 130.054 0.1 A 79 VAL H H 1 8.872 0.01 A 79 VAL HA H 1 4.690 0.01 A 79 VAL HB H 1 2.000 0.01 A 79 VAL HG1% H 1 0.940 0.01 A 79 VAL HG2% H 1 0.840 0.01 A 79 VAL C C 13 176.024 0.1 A 79 VAL CA C 13 63.900 0.1 A 79 VAL CB C 13 31.700 0.1 A 79 VAL CG1 C 13 21.500 0.1 A 79 VAL CG2 C 13 22.000 0.1 A 79 VAL N N 15 130.072 0.1 A 80 VAL H H 1 9.608 0.01 A 80 VAL HA H 1 4.420 0.01 A 80 VAL HB H 1 1.830 0.01 A 80 VAL HG1% H 1 0.790 0.01 A 80 VAL HG2% H 1 0.970 0.01 A 80 VAL C C 13 173.028 0.1 A 80 VAL CA C 13 60.000 0.1 A 80 VAL CB C 13 35.400 0.1 A 80 VAL CG1 C 13 24.600 0.1 A 80 VAL CG2 C 13 21.500 0.1 A 80 VAL N N 15 129.055 0.1 A 81 LYS H H 1 8.441 0.01 A 81 LYS HA H 1 4.170 0.01 A 81 LYS HBx H 1 1.560 0.01 A 81 LYS HBy H 1 1.920 0.01 A 81 LYS HDx H 1 1.500 0.01 A 81 LYS HDy H 1 1.500 0.01 A 81 LYS HGx H 1 1.220 0.01 A 81 LYS HGy H 1 1.380 0.01 A 81 LYS C C 13 175.225 0.1 A 81 LYS CA C 13 55.100 0.1 A 81 LYS CB C 13 34.200 0.1 A 81 LYS CD C 13 28.800 0.1 A 81 LYS CG C 13 25.400 0.1 A 81 LYS N N 15 123.854 0.1 A 82 GLN H H 1 6.493 0.01 A 82 GLN HA H 1 3.960 0.01 A 82 GLN HBx H 1 1.270 0.01 A 82 GLN HBy H 1 1.270 0.01 A 82 GLN C C 13 177.016 0.1 A 82 GLN CA C 13 56.500 0.1 A 82 GLN CB C 13 28.100 0.1 A 82 GLN CG C 13 31.500 0.1 A 82 GLN N N 15 121.237 0.1 A 83 GLY H H 1 10.072 0.01 A 83 GLY HAx H 1 4.000 0.01 A 83 GLY HAy H 1 4.180 0.01 A 83 GLY C C 13 174.491 0.1 A 83 GLY CA C 13 45.400 0.1 A 83 GLY N N 15 118.629 0.1 A 84 PHE H H 1 8.431 0.01 A 84 PHE HA H 1 4.910 0.01 A 84 PHE HBx H 1 2.680 0.01 A 84 PHE HBy H 1 3.520 0.01 A 84 PHE HD1 H 1 7.201 0.01 A 84 PHE HD2 H 1 7.201 0.01 A 84 PHE HE1 H 1 7.365 0.01 A 84 PHE HE2 H 1 7.365 0.01 A 84 PHE C C 13 177.056 0.1 A 84 PHE CA C 13 56.500 0.1 A 84 PHE CB C 13 38.700 0.1 A 84 PHE CD1 C 13 132.600 0.1 A 84 PHE CD2 C 13 132.600 0.1 A 84 PHE CE1 C 13 131.130 0.1 A 84 PHE CE2 C 13 131.130 0.1 A 84 PHE N N 15 120.834 0.1 A 85 GLU H H 1 10.207 0.01 A 85 GLU HA H 1 4.110 0.01 A 85 GLU CA C 13 56.880 0.1 A 85 GLU CB C 13 28.170 0.1 A 85 GLU N N 15 125.174 0.1 A 87 PRO HA H 1 4.750 0.01 A 87 PRO HBx H 1 2.010 0.01 A 87 PRO HBy H 1 2.350 0.01 A 87 PRO HGx H 1 2.180 0.01 A 87 PRO HGy H 1 2.180 0.01 A 87 PRO C C 13 178.401 0.1 A 87 PRO CA C 13 64.500 0.1 A 87 PRO CB C 13 31.400 0.1 A 87 PRO CG C 13 27.700 0.1 A 88 THR H H 1 7.316 0.01 A 88 THR HA H 1 4.080 0.01 A 88 THR HB H 1 4.560 0.01 A 88 THR HG2% H 1 1.500 0.01 A 88 THR C C 13 174.325 0.1 A 88 THR CA C 13 63.200 0.1 A 88 THR CB C 13 68.300 0.1 A 88 THR CG2 C 13 24.000 0.1 A 88 THR N N 15 107.088 0.1 A 89 PHE H H 1 7.437 0.01 A 89 PHE HA H 1 3.920 0.01 A 89 PHE HBx H 1 2.200 0.01 A 89 PHE HBy H 1 3.000 0.01 A 89 PHE HD1 H 1 6.470 0.01 A 89 PHE HD2 H 1 6.470 0.01 A 89 PHE HE1 H 1 7.120 0.01 A 89 PHE HE2 H 1 7.120 0.01 A 89 PHE C C 13 175.661 0.1 A 89 PHE CA C 13 60.000 0.1 A 89 PHE CB C 13 41.060 0.1 A 89 PHE CD1 C 13 131.700 0.1 A 89 PHE CD2 C 13 131.700 0.1 A 89 PHE CE1 C 13 131.700 0.1 A 89 PHE CE2 C 13 131.700 0.1 A 89 PHE N N 15 119.031 0.1 A 90 THR H H 1 7.675 0.01 A 90 THR HA H 1 3.210 0.01 A 90 THR HB H 1 3.400 0.01 A 90 THR HG2% H 1 -0.315 0.01 A 90 THR C C 13 177.340 0.1 A 90 THR CA C 13 65.000 0.1 A 90 THR CB C 13 68.200 0.1 A 90 THR CG2 C 13 20.300 0.1 A 90 THR N N 15 107.216 0.1 A 91 GLY H H 1 7.865 0.01 A 91 GLY HAy H 1 3.920 0.01 A 91 GLY HAx H 1 3.620 0.01 A 91 GLY C C 13 174.591 0.1 A 91 GLY CA C 13 46.300 0.1 A 91 GLY N N 15 106.674 0.1 A 92 TRP H H 1 7.018 0.01 A 92 TRP HA H 1 4.490 0.01 A 92 TRP HBy H 1 3.280 0.01 A 92 TRP HBx H 1 2.710 0.01 A 92 TRP HD1 H 1 7.480 0.01 A 92 TRP HE1 H 1 10.270 0.01 A 92 TRP HH2 H 1 7.450 0.01 A 92 TRP HZ2 H 1 7.820 0.01 A 92 TRP C C 13 174.042 0.1 A 92 TRP CA C 13 57.470 0.1 A 92 TRP CB C 13 29.630 0.1 A 92 TRP CD1 C 13 129.260 0.1 A 92 TRP CH2 C 13 122.120 0.1 A 92 TRP CZ2 C 13 115.000 0.1 A 92 TRP N N 15 117.951 0.1 A 92 TRP NE1 N 15 129.250 0.1 A 93 PHE H H 1 7.956 0.01 A 93 PHE HA H 1 4.610 0.01 A 93 PHE HBx H 1 3.310 0.01 A 93 PHE HBy H 1 3.480 0.01 A 93 PHE HD1 H 1 7.285 0.01 A 93 PHE HD2 H 1 7.285 0.01 A 93 PHE C C 13 175.872 0.1 A 93 PHE CA C 13 56.900 0.1 A 93 PHE CB C 13 40.800 0.1 A 93 PHE CD1 C 13 132.100 0.1 A 93 PHE CD2 C 13 132.100 0.1 A 93 PHE N N 15 118.863 0.1 A 94 MET H H 1 8.825 0.01 A 94 MET HA H 1 4.200 0.01 A 94 MET HBx H 1 2.140 0.01 A 94 MET HBy H 1 2.140 0.01 A 94 MET HGx H 1 2.660 0.01 A 94 MET HGy H 1 2.660 0.01 A 94 MET C C 13 175.794 0.1 A 94 MET CA C 13 57.900 0.1 A 94 MET CB C 13 32.300 0.1 A 94 MET CG C 13 31.600 0.1 A 94 MET N N 15 121.781 0.1 A 95 ALA H H 1 8.037 0.01 A 95 ALA HA H 1 4.440 0.01 A 95 ALA HB% H 1 1.370 0.01 A 95 ALA C C 13 175.600 0.1 A 95 ALA CA C 13 51.800 0.1 A 95 ALA CB C 13 20.800 0.1 A 95 ALA N N 15 120.648 0.1 A 96 TRP H H 1 8.481 0.01 A 96 TRP HA H 1 4.210 0.01 A 96 TRP HBx H 1 3.060 0.01 A 96 TRP HBy H 1 3.060 0.01 A 96 TRP HD1 H 1 6.960 0.01 A 96 TRP HE1 H 1 10.510 0.01 A 96 TRP HE3 H 1 6.960 0.01 A 96 TRP HH2 H 1 6.995 0.01 A 96 TRP HZ2 H 1 7.830 0.01 A 96 TRP HZ3 H 1 5.351 0.01 A 96 TRP C C 13 174.409 0.1 A 96 TRP CA C 13 57.800 0.1 A 96 TRP CB C 13 30.500 0.1 A 96 TRP CD1 C 13 126.160 0.1 A 96 TRP CH2 C 13 123.700 0.1 A 96 TRP CZ2 C 13 114.900 0.1 A 96 TRP CZ3 C 13 121.100 0.1 A 96 TRP N N 15 121.009 0.1 A 96 TRP NE1 N 15 129.050 0.1 A 97 ASP H H 1 8.850 0.01 A 97 ASP HA H 1 5.090 0.01 A 97 ASP HBx H 1 2.430 0.01 A 97 ASP HBy H 1 2.430 0.01 A 97 ASP CA C 13 49.560 0.1 A 97 ASP CB C 13 42.530 0.1 A 97 ASP N N 15 128.963 0.1 A 98 PRO HA H 1 4.510 0.01 A 98 PRO HBy H 1 2.680 0.01 A 98 PRO HBx H 1 2.190 0.01 A 98 PRO C C 13 177.169 0.1 A 98 PRO CA C 13 64.200 0.1 A 98 PRO CB C 13 32.570 0.1 A 98 PRO CD C 13 51.400 0.1 A 98 PRO CG C 13 27.400 0.1 A 99 LEU H H 1 8.372 0.01 A 99 LEU HA H 1 4.530 0.01 A 99 LEU HBy H 1 1.850 0.01 A 99 LEU HBx H 1 1.670 0.01 A 99 LEU HD1% H 1 0.940 0.01 A 99 LEU HD2% H 1 0.940 0.01 A 99 LEU C C 13 177.338 0.1 A 99 LEU CA C 13 54.550 0.1 A 99 LEU CB C 13 40.750 0.1 A 99 LEU N N 15 118.381 0.1 A 100 CYS H H 1 7.052 0.01 A 100 CYS HA H 1 3.610 0.01 A 100 CYS HBy H 1 2.260 0.01 A 100 CYS HBx H 1 1.200 0.01 A 100 CYS C C 13 174.820 0.1 A 100 CYS CA C 13 61.500 0.1 A 100 CYS CB C 13 27.300 0.1 A 100 CYS N N 15 119.396 0.1 A 101 TRP H H 1 7.625 0.01 A 101 TRP HA H 1 4.780 0.01 A 101 TRP HBx H 1 3.170 0.01 A 101 TRP HBy H 1 3.540 0.01 A 101 TRP HD1 H 1 7.490 0.01 A 101 TRP HE1 H 1 10.460 0.01 A 101 TRP HZ2 H 1 7.500 0.01 A 101 TRP C C 13 176.485 0.1 A 101 TRP CA C 13 58.900 0.1 A 101 TRP CB C 13 28.100 0.1 A 101 TRP CD1 C 13 127.090 0.1 A 101 TRP CZ2 C 13 115.420 0.1 A 101 TRP N N 15 115.737 0.1 A 101 TRP NE1 N 15 130.300 0.1 A 102 SER H H 1 7.916 0.01 A 102 SER HA H 1 4.520 0.01 A 102 SER HBx H 1 3.990 0.01 A 102 SER HBy H 1 3.990 0.01 A 102 SER C C 13 174.333 0.1 A 102 SER CA C 13 59.200 0.1 A 102 SER CB C 13 64.100 0.1 A 102 SER N N 15 115.896 0.1 A 103 ASP H H 1 8.450 0.01 A 103 ASP HA H 1 4.660 0.01 A 103 ASP HBx H 1 2.730 0.01 A 103 ASP HBy H 1 2.730 0.01 A 103 ASP C C 13 176.129 0.1 A 103 ASP CA C 13 54.700 0.1 A 103 ASP CB C 13 41.000 0.1 A 103 ASP N N 15 122.262 0.1 A 104 ARG H H 1 8.117 0.01 A 104 ARG HA H 1 4.330 0.01 A 104 ARG HBy H 1 1.910 0.01 A 104 ARG HBx H 1 1.810 0.01 A 104 ARG HDx H 1 3.220 0.01 A 104 ARG HDy H 1 3.220 0.01 A 104 ARG HGy H 1 1.660 0.01 A 104 ARG HGx H 1 1.650 0.01 A 104 ARG C C 13 176.283 0.1 A 104 ARG CA C 13 56.200 0.1 A 104 ARG CB C 13 30.750 0.1 A 104 ARG CD C 13 43.660 0.1 A 104 ARG CG C 13 27.100 0.1 A 104 ARG N N 15 120.795 0.1 A 105 LYS H H 1 8.294 0.01 A 105 LYS HA H 1 4.345 0.01 A 105 LYS HBx H 1 1.760 0.01 A 105 LYS HBy H 1 1.760 0.01 A 105 LYS HDx H 1 1.660 0.01 A 105 LYS HDy H 1 1.660 0.01 A 105 LYS HEx H 1 3.010 0.01 A 105 LYS HEy H 1 3.010 0.01 A 105 LYS HGx H 1 1.390 0.01 A 105 LYS HGy H 1 1.390 0.01 A 105 LYS C C 13 176.284 0.1 A 105 LYS CA C 13 56.300 0.1 A 105 LYS CB C 13 33.100 0.1 A 105 LYS CD C 13 29.050 0.1 A 105 LYS CE C 13 42.400 0.1 A 105 LYS CG C 13 24.800 0.1 A 105 LYS N N 15 122.131 0.1 A 106 SER H H 1 8.235 0.01 A 106 SER HA H 1 4.470 0.01 A 106 SER HBy H 1 3.850 0.01 A 106 SER HBx H 1 3.840 0.01 A 106 SER CA C 13 58.300 0.1 A 106 SER CB C 13 64.200 0.1 A 106 SER N N 15 116.993 0.1 A 107 TYR H H 1 7.755 0.01 A 107 TYR HA H 1 4.414 0.01 A 107 TYR CA C 13 59.200 0.1 A 107 TYR N N 15 126.603 0.1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 41 PHE HA A 78 ILE H 1.0 . 4.14 2 2 A 78 ILE H A 77 ILE HA 1.0 . 3.10 3 3 A 78 ILE HA A 79 VAL H 1.0 . 2.92 4 4 A 78 ILE H A 78 ILE HB 1.0 . 3.45 5 5 A 79 VAL H A 79 VAL HG2% 1.0 . 3.15 6 6 A 79 VAL H A 79 VAL HB 1.0 . 3.15 7 7 A 13 PHE HA A 14 LEU H 1.0 . 3.04 8 8 A 14 LEU H A 14 LEU HBy 1.0 . 3.84 9 9 A 79 VAL HA A 80 VAL H 1.0 . 2.97 10 10 A 80 VAL H A 42 PHE HBy 1.0 . 4.25 11 11 A 80 VAL H A 79 VAL HG1% 1.0 . 3.60 12 12 A 80 VAL H A 79 VAL HG1% 1.0 . 3.79 13 13 A 16 THR HA A 17 GLU H 1.0 . 3.15 14 14 A 36 THR HG2% A 92 TRP HE1 1.0 . 3.99 15 15 A 32 TYR H A 43 TRP H 1.0 . 4.24 16 16 A 43 TRP H A 42 PHE H 1.0 . 4.65 17 17 A 43 TRP H A 42 PHE HA 1.0 . 2.98 18 18 A 43 TRP H A 43 TRP HBx 1.0 . 3.94 19 19 A 43 TRP H A 43 TRP HBx 1.0 . 3.94 20 20 A 41 PHE HA A 42 PHE H 1.0 . 3.07 21 21 A 42 PHE HBy A 42 PHE H 1.0 . 3.42 22 22 A 42 PHE H A 42 PHE HBx 1.0 . 3.73 23 23 A 42 PHE H A 80 VAL HG2% 1.0 . 4.51 24 24 A 42 PHE H A 80 VAL HG2% 1.0 . 4.76 25 25 A 17 GLU HA A 18 ILE H 1.0 . 3.30 26 26 A 18 ILE H A 18 ILE HB 1.0 . 3.25 27 27 A 18 ILE H A 17 GLU HGy 1.0 . 4.71 28 28 A 18 ILE H A 17 GLU HGy 1.0 . 4.71 29 29 A 97 ASP H A 97 ASP HBy 1.0 . 3.56 30 30 A 97 ASP H A 97 ASP HBy 1.0 . 3.92 31 31 A 6 CYS H A 31 VAL H 1.0 . 4.69 32 32 A 6 CYS H A 5 GLU HA 1.0 . 3.31 33 33 A 6 CYS H A 6 CYS HBx 1.0 . 3.79 34 34 A 6 CYS H A 56 ALA HB% 1.0 . 4.64 35 35 A 6 CYS H A 56 ALA HB% 1.0 . 5.06 36 36 A 26 LEU H A 27 ASP H 1.0 . 5.50 37 37 A 27 ASP H A 27 ASP HBx 1.0 . 3.54 38 38 A 27 ASP H A 26 LEU HA 1.0 . 3.21 39 39 A 18 ILE HA A 19 VAL H 1.0 . 2.89 40 40 A 18 ILE HB A 19 VAL H 1.0 . 4.92 41 41 A 19 VAL H A 19 VAL HG2% 1.0 . 3.43 42 42 A 30 ASP H A 30 ASP HBy 1.0 . 3.57 43 43 A 2 ARG H A 35 ASP H 1.0 . 4.24 44 44 A 35 ASP H A 34 LEU HA 1.0 . 3.14 45 45 A 35 ASP H A 35 ASP HBy 1.0 . 3.97 46 46 A 35 ASP H A 34 LEU HBy 1.0 . 4.35 47 47 A 43 TRP HA A 44 ILE H 1.0 . 3.11 48 48 A 44 ILE H A 81 LYS HA 1.0 . 4.18 49 49 A 44 ILE H A 44 ILE HB 1.0 . 3.25 50 50 A 8 ASN H A 9 LYS H 1.0 . 4.59 51 51 A 8 ASN H A 7 SER HA 1.0 . 3.28 52 52 A 48 ALA H A 48 ALA HB% 1.0 . 3.32 53 53 A 48 ALA H A 48 ALA HB% 1.0 . 3.53 54 54 A 48 ALA H A 31 VAL HG2% 1.0 . 5.08 55 55 A 34 LEU H A 41 PHE H 1.0 . 4.05 56 56 A 34 LEU H A 33 LEU HA 1.0 . 3.11 57 57 A 34 LEU HBy A 34 LEU H 1.0 . 4.11 58 58 A 34 LEU HBy A 34 LEU H 1.0 . 3.71 59 59 A 34 LEU H A 40 ILE HG2% 1.0 . 4.51 60 60 A 34 LEU H A 3 LEU HD2% 1.0 . 4.59 61 61 A 5 GLU H A 16 THR H 1.0 . 4.36 62 62 A 5 GLU H A 4 PHE HA 1.0 . 3.11 63 63 A 17 GLU HA A 5 GLU H 1.0 . 5.29 64 64 A 5 GLU H A 5 GLU HBx 1.0 . 3.75 65 65 A 2 ARG HA A 3 LEU H 1.0 . 3.08 66 66 A 18 ILE HB A 3 LEU H 1.0 . 5.50 67 67 A 3 LEU H A 2 ARG HBx 1.0 . 4.15 68 68 A 3 LEU H A 2 ARG HBx 1.0 . 4.15 69 69 A 14 LEU HA A 15 ALA H 1.0 . 2.81 70 70 A 15 ALA H A 15 ALA HB% 1.0 . 3.19 71 71 A 15 ALA H A 15 ALA HB% 1.0 . 3.51 72 72 A 84 PHE HBx A 85 GLU H 1.0 . 5.50 73 73 A 46 LYS H A 45 GLY HAx 1.0 . 3.29 74 74 A 46 LYS H A 46 LYS HGy 1.0 . 4.64 75 75 A 46 LYS H A 46 LYS HGy 1.0 . 4.64 76 76 A 46 LYS H A 82 GLN HBx 1.0 . 3.95 77 76 A 46 LYS H A 82 GLN HBy 1.0 . 3.95 78 77 A 41 PHE H A 40 ILE HA 1.0 . 3.05 79 78 A 41 PHE H A 35 ASP HA 1.0 . 5.50 80 79 A 41 PHE H A 40 ILE HG2% 1.0 . 4.25 81 80 A 28 GLU H A 29 ASN H 1.0 . 4.28 82 81 A 28 GLU H A 27 ASP HA 1.0 . 3.02 83 82 A 28 GLU H A 27 ASP HBx 1.0 . 4.25 84 83 A 80 VAL HA A 81 LYS H 1.0 . 2.88 85 84 A 81 LYS H A 84 PHE HBy 1.0 . 5.50 86 85 A 81 LYS H A 81 LYS HBy 1.0 . 3.11 87 86 A 81 LYS H A 80 VAL HG1% 1.0 . 4.28 88 87 A 81 LYS H A 80 VAL HG1% 1.0 . 4.33 89 88 A 4 PHE H A 33 LEU H 1.0 . 4.23 90 89 A 4 PHE H A 3 LEU HA 1.0 . 3.14 91 90 A 4 PHE H A 3 LEU HG 1.0 . 4.28 92 91 A 9 LYS H A 10 THR H 1.0 . 4.30 93 92 A 9 LYS H A 14 LEU HBy 1.0 . 4.21 94 93 A 55 ALA H A 56 ALA H 1.0 . 3.38 95 94 A 56 ALA HB% A 56 ALA H 1.0 . 2.99 96 95 A 56 ALA HB% A 56 ALA H 1.0 . 3.45 97 96 A 56 ALA H A 55 ALA HB% 1.0 . 3.61 98 97 A 59 THR HB A 60 ALA H 1.0 . 3.58 99 98 A 60 ALA H A 57 ALA HA 1.0 . 4.19 100 99 A 60 ALA H A 60 ALA HB% 1.0 . 3.12 101 100 A 60 ALA H A 59 THR HG2% 1.0 . 4.99 102 101 A 60 ALA H A 59 THR HG2% 1.0 . 5.50 103 102 A 60 ALA H A 59 THR HG2% 1.0 . 5.50 104 103 A 19 VAL HA A 20 ASP H 1.0 . 2.83 105 104 A 20 ASP H A 19 VAL HG1% 1.0 . 4.28 106 105 A 20 ASP H A 19 VAL HG1% 1.0 . 4.64 107 106 A 20 ASP H A 19 VAL HG1% 1.0 . 4.85 108 107 A 26 LEU H A 23 GLN H 1.0 . 5.50 109 108 A 23 GLN H A 22 THR HB 1.0 . 3.31 110 109 A 23 GLN H A 23 GLN HBy 1.0 . 3.19 111 110 A 52 GLU H A 53 LYS H 1.0 . 3.43 112 111 A 80 VAL H A 43 TRP HA 1.0 . 4.87 113 112 A 17 GLU H A 4 PHE HBx 1.0 . 5.50 114 113 A 8 ASN H A 49 ASN HBx 1.0 . 5.50 115 114 A 52 GLU H A 51 SER HBy 1.0 . 3.72 116 115 A 52 GLU H A 52 GLU HBy 1.0 . 3.92 117 116 A 52 GLU H A 52 GLU HBy 1.0 . 3.92 118 117 A 103 ASP H A 104 ARG H 1.0 . 4.49 119 118 A 103 ASP H A 101 TRP HA 1.0 . 3.06 120 119 A 103 ASP H A 102 SER HBy 1.0 . 4.68 121 120 A 103 ASP H A 102 SER HBy 1.0 . 4.92 122 121 A 62 GLU H A 63 TYR H 1.0 . 3.69 123 122 A 63 TYR H A 64 LEU H 1.0 . 3.85 124 123 A 63 TYR H A 63 TYR HBy 1.0 . 3.49 125 124 A 63 TYR H A 63 TYR HBy 1.0 . 3.60 126 125 A 94 MET H A 95 ALA H 1.0 . 3.59 127 126 A 94 MET H A 93 PHE HA 1.0 . 3.20 128 127 A 12 ARG HA A 13 PHE H 1.0 . 3.15 129 128 A 13 PHE H A 13 PHE HBy 1.0 . 3.56 130 129 A 13 PHE H A 13 PHE HBx 1.0 . 3.56 131 130 A 13 PHE H A 8 ASN HBy 1.0 . 5.50 132 131 A 76 PRO HA A 77 ILE H 1.0 . 2.98 133 132 A 77 ILE H A 77 ILE HG1x 1.0 . 4.27 134 133 A 77 ILE H A 77 ILE HG1x 1.0 . 4.46 135 134 A 77 ILE H A 77 ILE HG2% 1.0 . 5.01 136 135 A 77 ILE H A 77 ILE HG2% 1.0 . 5.50 137 136 A 55 ALA H A 52 GLU HA 1.0 . 4.30 138 137 A 55 ALA H A 54 GLU HGy 1.0 . 5.15 139 138 A 55 ALA H A 54 GLU HBy 1.0 . 3.24 140 139 A 55 ALA H A 55 ALA HB% 1.0 . 3.09 141 140 A 81 LYS HA A 82 GLN H 1.0 . 2.94 142 141 A 82 GLN H A 45 GLY HAx 1.0 . 4.48 143 142 A 82 GLN H A 45 GLY HAx 1.0 . 5.50 144 143 A 81 LYS HBy A 82 GLN H 1.0 . 4.14 145 144 A 81 LYS HBy A 82 GLN H 1.0 . 3.80 146 145 A 82 GLN H A 82 GLN HBx 1.0 . 3.24 147 145 A 82 GLN HBy A 82 GLN H 1.0 . 3.24 148 146 A 82 GLN H A 84 PHE H 1.0 . 5.50 149 147 A 95 ALA HA A 96 TRP H 1.0 . 3.05 150 148 A 96 TRP H A 96 TRP HBy 1.0 . 3.39 151 149 A 96 TRP H A 95 ALA HB% 1.0 . 3.77 152 150 A 96 TRP H A 95 ALA HB% 1.0 . 4.19 153 151 A 84 PHE H A 83 GLY H 1.0 . 3.56 154 152 A 84 PHE HBx A 84 PHE H 1.0 . 3.34 155 153 A 71 ARG HA A 72 ASP H 1.0 . 3.20 156 154 A 72 ASP H A 71 ARG HBy 1.0 . 4.35 157 155 A 72 ASP H A 71 ARG HBy 1.0 . 4.35 158 156 A 32 TYR H A 31 VAL HA 1.0 . 3.35 159 157 A 32 TYR H A 32 TYR HBy 1.0 . 3.75 160 158 A 104 ARG H A 101 TRP HA 1.0 . 3.17 161 159 A 104 ARG H A 104 ARG HGx 1.0 . 4.90 162 160 A 104 ARG H A 104 ARG HGx 1.0 . 4.90 163 161 A 95 ALA H A 94 MET HA 1.0 . 3.35 164 162 A 95 ALA H A 95 ALA HB% 1.0 . 3.61 165 163 A 95 ALA H A 95 ALA HB% 1.0 . 3.89 166 164 A 56 ALA H A 57 ALA H 1.0 . 3.37 167 165 A 57 ALA H A 58 GLU HBy 1.0 . 4.59 168 166 A 57 ALA H A 57 ALA HB% 1.0 . 2.78 169 167 A 77 ILE HA A 40 ILE H 1.0 . 4.56 170 168 A 40 ILE H A 39 GLN HA 1.0 . 3.10 171 169 A 77 ILE HG1x A 40 ILE H 1.0 . 4.00 172 170 A 40 ILE H A 40 ILE HG1y 1.0 . 4.52 173 171 A 77 ILE HG1x A 40 ILE H 1.0 . 3.87 174 172 A 40 ILE HG2% A 40 ILE H 1.0 . 4.95 175 173 A 40 ILE H A 40 ILE HG1y 1.0 . 4.52 176 174 A 33 LEU H A 32 TYR HA 1.0 . 3.17 177 175 A 33 LEU H A 4 PHE HBy 1.0 . 4.21 178 176 A 33 LEU H A 33 LEU HBx 1.0 . 4.04 179 177 A 33 LEU H A 3 LEU HD2% 1.0 . 4.76 180 178 A 48 ALA H A 49 ASN H 1.0 . 4.70 181 179 A 49 ASN H A 48 ALA HA 1.0 . 2.94 182 180 A 49 ASN H A 52 GLU HBy 1.0 . 4.29 183 181 A 49 ASN H A 48 ALA HB% 1.0 . 3.50 184 182 A 74 ASP H A 75 THR H 1.0 . 3.50 185 183 A 75 THR H A 75 THR HB 1.0 . 3.29 186 184 A 75 THR H A 75 THR HG2% 1.0 . 4.83 187 185 A 75 THR H A 75 THR HG2% 1.0 . 5.46 188 186 A 75 THR H A 75 THR HG2% 1.0 . 5.39 189 187 A 16 THR H A 15 ALA HA 1.0 . 3.10 190 188 A 16 THR H A 6 CYS HA 1.0 . 4.89 191 189 A 16 THR H A 16 THR HB 1.0 . 3.83 192 190 A 16 THR H A 14 LEU HBy 1.0 . 5.50 193 191 A 99 LEU H A 100 CYS H 1.0 . 3.26 194 192 A 100 CYS H A 101 TRP H 1.0 . 4.03 195 193 A 100 CYS H A 100 CYS HBx 1.0 . 3.19 196 194 A 100 CYS H A 100 CYS HBx 1.0 . 3.41 197 195 A 53 LYS H A 53 LYS HBy 1.0 . 3.47 198 196 A 53 LYS H A 48 ALA HB% 1.0 . 4.04 199 197 A 53 LYS H A 31 VAL HG1% 1.0 . 5.00 200 198 A 31 VAL HG2% A 53 LYS H 1.0 . 5.50 201 199 A 31 VAL HG2% A 53 LYS H 1.0 . 5.10 202 200 A 46 LYS H A 45 GLY H 1.0 . 5.15 203 201 A 45 GLY H A 44 ILE HA 1.0 . 3.00 204 202 A 48 ALA HB% A 45 GLY H 1.0 . 4.36 205 203 A 48 ALA HB% A 45 GLY H 1.0 . 4.56 206 204 A 53 LYS H A 54 GLU H 1.0 . 3.43 207 205 A 54 GLU HBy A 54 GLU H 1.0 . 2.85 208 206 A 51 SER HBy A 54 GLU H 1.0 . 5.42 209 207 A 64 LEU H A 63 TYR HBy 1.0 . 3.50 210 208 A 64 LEU H A 64 LEU HBx 1.0 . 3.21 211 209 A 64 LEU H A 64 LEU HG 1.0 . 3.36 212 210 A 64 LEU H A 64 LEU HD1% 1.0 . 5.50 213 211 A 64 LEU H A 64 LEU HD1% 1.0 . 5.50 214 212 A 89 PHE H A 89 PHE HBy 1.0 . 3.45 215 213 A 89 PHE H A 89 PHE HBx 1.0 . 3.27 216 214 A 93 PHE H A 93 PHE HBy 1.0 . 3.78 217 215 A 93 PHE H A 92 TRP HBx 1.0 . 4.15 218 216 A 59 THR HB A 59 THR H 1.0 . 3.38 219 217 A 59 THR H A 56 ALA HA 1.0 . 3.61 220 218 A 58 GLU HBy A 59 THR H 1.0 . 3.49 221 219 A 99 LEU H A 100 CYS HBx 1.0 . 5.17 222 220 A 83 GLY H A 82 GLN HA 1.0 . 3.05 223 221 A 36 THR H A 37 TRP H 1.0 . 4.52 224 222 A 35 ASP HA A 36 THR H 1.0 . 3.31 225 223 A 36 THR HG2% A 36 THR H 1.0 . 4.01 226 224 A 59 THR H A 58 GLU H 1.0 . 3.41 227 225 A 58 GLU H A 55 ALA HA 1.0 . 3.85 228 226 A 58 GLU H A 58 GLU HGx 1.0 . 3.98 229 227 A 58 GLU H A 57 ALA HB% 1.0 . 3.43 230 228 A 99 LEU H A 99 LEU HBx 1.0 . 3.61 231 229 A 11 GLY H A 12 ARG H 1.0 . 3.17 232 230 A 12 ARG H A 10 THR HB 1.0 . 5.50 233 231 A 49 ASN HA A 50 GLU H 1.0 . 3.37 234 232 A 50 GLU H A 49 ASN HBx 1.0 . 3.50 235 233 A 50 GLU H A 50 GLU HBy 1.0 . 3.90 236 234 A 50 GLU H A 50 GLU HBy 1.0 . 3.90 237 235 A 26 LEU H A 25 ASP HBy 1.0 . 4.57 238 236 A 26 LEU H A 25 ASP HBy 1.0 . 5.13 239 237 A 26 LEU H A 26 LEU HBx 1.0 . 4.15 240 238 A 26 LEU H A 26 LEU HBx 1.0 . 4.15 241 239 A 26 LEU H A 26 LEU HD2% 1.0 . 5.16 242 240 A 26 LEU H A 26 LEU HD2% 1.0 . 5.50 243 241 A 26 LEU H A 26 LEU HD2% 1.0 . 5.50 244 242 A 91 GLY H A 92 TRP H 1.0 . 3.81 245 243 A 93 PHE H A 92 TRP H 1.0 . 3.31 246 244 A 92 TRP HBx A 92 TRP H 1.0 . 3.51 247 245 A 74 ASP H A 73 LEU H 1.0 . 3.86 248 246 A 74 ASP H A 72 ASP HA 1.0 . 4.91 249 247 A 38 ASP H A 38 ASP HBx 1.0 . 4.04 250 248 A 106 SER H A 105 LYS HBy 1.0 . 5.50 251 249 A 106 SER H A 105 LYS HBy 1.0 . 5.50 252 250 A 64 LEU HBx A 65 ARG H 1.0 . 3.39 253 251 A 65 ARG H A 65 ARG HGy 1.0 . 5.15 254 252 A 65 ARG H A 65 ARG HGy 1.0 . 5.15 255 253 A 65 ARG H A 64 LEU HD2% 1.0 . 5.33 256 254 A 65 ARG H A 64 LEU HD2% 1.0 . 5.06 257 255 A 26 LEU H A 25 ASP H 1.0 . 3.48 258 256 A 25 ASP HBy A 25 ASP H 1.0 . 3.04 259 257 A 25 ASP H A 24 ASP HBy 1.0 . 4.49 260 258 A 29 ASN H A 29 ASN HBx 1.0 . 4.09 261 259 A 29 ASN H A 29 ASN HBx 1.0 . 4.09 262 260 A 101 TRP HA A 102 SER H 1.0 . 3.42 263 261 A 102 SER HBy A 102 SER H 1.0 . 3.20 264 262 A 102 SER H A 100 CYS HA 1.0 . 4.46 265 263 A 101 TRP H A 99 LEU HA 1.0 . 4.49 266 264 A 101 TRP H A 101 TRP HBy 1.0 . 3.80 267 265 A 101 TRP H A 100 CYS HBx 1.0 . 4.00 268 266 A 51 SER HBy A 51 SER H 1.0 . 3.16 269 267 A 51 SER H A 50 GLU HBy 1.0 . 4.28 270 268 A 23 GLN H A 24 ASP H 1.0 . 3.60 271 269 A 22 THR HB A 24 ASP H 1.0 . 4.06 272 270 A 24 ASP H A 24 ASP HBy 1.0 . 3.65 273 271 A 24 ASP H A 24 ASP HBy 1.0 . 3.65 274 272 A 23 GLN HBy A 24 ASP H 1.0 . 3.81 275 273 A 60 ALA H A 61 GLN H 1.0 . 3.61 276 274 A 62 GLU H A 61 GLN H 1.0 . 3.42 277 275 A 61 GLN H A 61 GLN HGy 1.0 . 3.97 278 276 A 61 GLN H A 61 GLN HGy 1.0 . 3.97 279 277 A 61 GLN H A 61 GLN HBy 1.0 . 2.99 280 278 A 61 GLN H A 60 ALA HB% 1.0 . 3.37 281 279 A 6 CYS HA A 7 SER H 1.0 . 2.99 282 280 A 7 SER H A 7 SER HBy 1.0 . 3.78 283 281 A 7 SER H A 7 SER HBy 1.0 . 4.10 284 282 A 6 CYS HBx A 7 SER H 1.0 . 4.72 285 283 A 20 ASP HA A 21 PHE H 1.0 . 3.13 286 284 A 21 PHE H A 21 PHE HBx 1.0 . 3.43 287 285 A 21 PHE H A 18 ILE HG2% 1.0 . 4.31 288 286 A 31 VAL H A 31 VAL HB 1.0 . 3.72 289 287 A 31 VAL H A 31 VAL HG1% 1.0 . 4.73 290 288 A 31 VAL H A 31 VAL HG1% 1.0 . 5.19 291 289 A 31 VAL H A 30 ASP HBy 1.0 . 2.86 292 290 A 31 VAL H A 48 ALA HB% 1.0 . 5.50 293 291 A 31 VAL H A 48 ALA HB% 1.0 . 5.50 294 292 A 66 SER H A 67 HIS H 1.0 . 3.77 295 293 A 21 PHE H A 22 THR H 1.0 . 5.06 296 294 A 22 THR H A 21 PHE HA 1.0 . 3.08 297 295 A 22 THR H A 21 PHE HBy 1.0 . 4.10 298 296 A 21 PHE HBx A 22 THR H 1.0 . 3.73 299 297 A 25 ASP HBy A 22 THR H 1.0 . 4.00 300 298 A 8 ASN HD2x A 49 ASN HBx 1.0 . 5.50 301 299 A 38 ASP H A 39 GLN H 1.0 . 3.26 302 300 A 10 THR H A 11 GLY H 1.0 . 3.52 303 301 A 11 GLY H A 10 THR HB 1.0 . 5.13 304 302 A 10 THR H A 8 ASN HA 1.0 . 4.96 305 303 A 10 THR H A 12 ARG HBy 1.0 . 5.18 306 304 A 89 PHE H A 90 THR H 1.0 . 3.31 307 305 A 90 THR H A 87 PRO HA 1.0 . 4.46 308 306 A 89 PHE HBy A 90 THR H 1.0 . 3.66 309 307 A 89 PHE HBx A 90 THR H 1.0 . 4.29 310 308 A 89 PHE H A 91 GLY H 1.0 . 5.21 311 309 A 91 GLY H A 87 PRO HA 1.0 . 5.30 312 310 A 48 ALA H A 47 GLY H 1.0 . 3.35 313 311 A 47 GLY H A 29 ASN HA 1.0 . 3.69 314 312 A 48 ALA HB% A 47 GLY H 1.0 . 4.88 315 313 A 48 ALA HB% A 47 GLY H 1.0 . 5.14 316 314 A 3 LEU HD1% A 21 PHE HD% 1.0 . 5.09 317 315 A 63 TYR HA A 63 TYR HD% 1.0 . 3.17 318 316 A 63 TYR HD% A 64 LEU HD2% 1.0 . 3.50 319 317 A 64 LEU HD1% A 63 TYR HD% 1.0 . 4.60 320 318 A 64 LEU HG A 63 TYR HD% 1.0 . 4.86 321 319 A 90 THR HA A 93 PHE HD% 1.0 . 3.43 322 320 A 6 CYS HBx A 13 PHE HD% 1.0 . 3.75 323 321 A 92 TRP HBx A 89 PHE HE% 1.0 . 4.52 324 322 A 18 ILE HB A 4 PHE HD% 1.0 . 5.50 325 323 A 89 PHE HA A 92 TRP HD1 1.0 . 3.24 326 324 A 43 TRP HD1 A 80 VAL HG2% 1.0 . 5.16 327 325 A 37 TRP HA A 37 TRP HD1 1.0 . 3.70 328 326 A 64 LEU HD2% A 63 TYR HE% 1.0 . 4.90 329 327 A 64 LEU HD2% A 63 TYR HE% 1.0 . 5.47 330 328 A 92 TRP HBx A 89 PHE HD% 1.0 . 3.85 331 329 A 43 TRP H A 89 PHE HE% 1.0 . 5.50 332 330 A 92 TRP HE1 A 89 PHE H 1.0 . 4.79 333 331 A 32 TYR H A 42 PHE HA 1.0 . 5.50 334 332 A 78 ILE H A 42 PHE H 1.0 . 4.68 335 333 A 79 VAL H A 80 VAL H 1.0 . 4.81 336 334 A 46 LYS H A 47 GLY H 1.0 . 3.93 337 335 A 6 CYS H A 16 THR H 1.0 . 5.50 338 336 A 19 VAL H A 20 ASP H 1.0 . 4.93 339 337 A 72 ASP H A 73 LEU H 1.0 . 4.21 340 338 A 52 GLU H A 51 SER H 1.0 . 3.60 341 339 A 95 ALA H A 96 TRP H 1.0 . 4.24 342 340 A 103 ASP H A 102 SER H 1.0 . 4.29 343 341 A 56 ALA H A 13 PHE HE% 1.0 . 4.30 344 342 A 36 THR H A 39 GLN H 1.0 . 4.01 345 343 A 52 GLU H A 49 ASN H 1.0 . 4.62 346 344 A 55 ALA H A 54 GLU H 1.0 . 3.62 347 345 A 93 PHE H A 93 PHE HD% 1.0 . 3.79 348 346 A 101 TRP H A 102 SER H 1.0 . 3.26 349 347 A 57 ALA H A 58 GLU H 1.0 . 3.19 350 348 A 55 ALA H A 13 PHE HD% 1.0 . 4.87 351 349 A 90 THR H A 89 PHE HD% 1.0 . 4.18 352 350 A 20 ASP H A 21 PHE H 1.0 . 4.24 353 351 A 89 PHE H A 89 PHE HD% 1.0 . 3.90 354 352 A 92 TRP HD1 A 89 PHE HD% 1.0 . 4.14 355 353 A 92 TRP H A 93 PHE HD% 1.0 . 3.92 356 354 A 89 PHE HE% A 43 TRP HD1 1.0 . 4.21 357 355 A 6 CYS H A 32 TYR HA 1.0 . 4.08 358 356 A 14 LEU H A 8 ASN HA 1.0 . 3.95 359 357 A 15 ALA HA A 7 SER H 1.0 . 4.29 360 358 A 31 VAL H A 30 ASP HA 1.0 . 3.47 361 359 A 54 GLU H A 51 SER HA 1.0 . 4.51 362 360 A 106 SER H A 105 LYS HA 1.0 . 3.40 363 361 A 8 ASN HA A 8 ASN HD2y 1.0 . 4.64 364 362 A 14 LEU H A 6 CYS HA 1.0 . 4.29 365 363 A 36 THR HB A 92 TRP HZ2 1.0 . 4.37 366 364 A 52 GLU HA A 13 PHE HE% 1.0 . 3.71 367 365 A 3 LEU HA A 4 PHE HD% 1.0 . 4.41 368 366 A 17 GLU HA A 4 PHE HD% 1.0 . 4.03 369 367 A 20 ASP HA A 21 PHE HD% 1.0 . 4.35 370 368 A 96 TRP HA A 96 TRP HE3 1.0 . 4.10 371 369 A 52 GLU HA A 13 PHE HD% 1.0 . 3.42 372 370 A 81 LYS HA A 84 PHE HD% 1.0 . 4.08 373 371 A 81 LYS HA A 84 PHE HE% 1.0 . 4.87 374 372 A 59 THR HB A 13 PHE HE% 1.0 . 4.57 375 373 A 41 PHE HA A 89 PHE HD% 1.0 . 5.50 376 374 A 51 SER HBy A 50 GLU H 1.0 . 4.65 377 375 A 92 TRP HE1 A 89 PHE HA 1.0 . 4.98 378 376 A 51 SER HBy A 8 ASN HD2y 1.0 . 3.87 379 377 A 62 GLU H A 59 THR HA 1.0 . 4.31 380 378 A 89 PHE HA A 89 PHE HD% 1.0 . 3.94 381 379 A 92 TRP H A 89 PHE HA 1.0 . 4.51 382 380 A 25 ASP H A 23 GLN HA 1.0 . 4.91 383 381 A 56 ALA HA A 13 PHE HE% 1.0 . 3.78 384 382 A 61 GLN H A 59 THR HA 1.0 . 4.37 385 383 A 14 LEU H A 7 SER HBy 1.0 . 4.85 386 384 A 80 VAL H A 42 PHE HBx 1.0 . 4.08 387 385 A 89 PHE HD% A 41 PHE HBy 1.0 . 3.94 388 386 A 101 TRP H A 101 TRP HBy 1.0 . 3.80 389 387 A 51 SER H A 49 ASN HBx 1.0 . 4.25 390 388 A 8 ASN HD2y A 49 ASN HBx 1.0 . 3.81 391 389 A 93 PHE H A 93 PHE HBx 1.0 . 3.78 392 390 A 12 ARG H A 12 ARG HDy 1.0 . 4.95 393 391 A 12 ARG H A 12 ARG HDy 1.0 . 4.95 394 392 A 92 TRP HBx A 92 TRP HD1 1.0 . 3.83 395 393 A 89 PHE HD% A 41 PHE HBx 1.0 . 3.94 396 394 A 49 ASN H A 49 ASN HBx 1.0 . 4.01 397 395 A 33 LEU H A 32 TYR HBy 1.0 . 3.85 398 396 A 43 TRP H A 42 PHE HBx 1.0 . 5.09 399 397 A 94 MET H A 94 MET HGy 1.0 . 4.37 400 398 A 94 MET H A 94 MET HGy 1.0 . 4.37 401 399 A 35 ASP H A 35 ASP HBy 1.0 . 3.97 402 400 A 5 GLU H A 4 PHE HBy 1.0 . 4.69 403 401 A 50 GLU H A 50 GLU HGy 1.0 . 3.94 404 402 A 50 GLU H A 50 GLU HGy 1.0 . 3.94 405 403 A 32 TYR H A 31 VAL HB 1.0 . 4.68 406 404 A 20 ASP H A 19 VAL HB 1.0 . 3.90 407 405 A 49 ASN H A 52 GLU HBy 1.0 . 4.29 408 406 A 6 CYS H A 5 GLU HGy 1.0 . 4.30 409 407 A 6 CYS H A 5 GLU HGy 1.0 . 4.30 410 408 A 23 GLN H A 22 THR HG2% 1.0 . 5.04 411 409 A 22 THR H A 22 THR HG2% 1.0 . 3.98 412 410 A 16 THR H A 16 THR HG21 1.0 . 4.50 413 411 A 16 THR H A 16 THR HG21 1.0 . 4.87 414 412 A 34 LEU H A 33 LEU HBx 1.0 . 3.86 415 413 A 42 PHE H A 77 ILE HG1x 1.0 . 4.46 416 414 A 32 TYR H A 31 VAL HG1% 1.0 . 4.84 417 415 A 32 TYR H A 31 VAL HG1% 1.0 . 5.50 418 416 A 40 ILE HG2% A 40 ILE H 1.0 . 5.36 419 417 A 40 ILE HG2% A 40 ILE H 1.0 . 5.50 420 418 A 77 ILE HG2% A 40 ILE H 1.0 . 5.50 421 419 A 77 ILE HG2% A 40 ILE H 1.0 . 5.50 422 420 A 4 PHE H A 3 LEU HD2% 1.0 . 3.67 423 421 A 42 PHE H A 77 ILE HG2% 1.0 . 4.62 424 422 A 34 LEU H A 40 ILE HG2% 1.0 . 4.44 425 423 A 36 THR HG2% A 37 TRP H 1.0 . 5.08 426 424 A 36 THR HG2% A 37 TRP H 1.0 . 5.38 427 425 A 97 ASP H A 96 TRP HBy 1.0 . 4.40 428 426 A 6 CYS HBx A 7 SER H 1.0 . 4.27 429 427 A 34 LEU HBy A 41 PHE H 1.0 . 5.07 430 428 A 89 PHE HBy A 92 TRP HD1 1.0 . 4.22 431 429 A 38 ASP H A 38 ASP HBx 1.0 . 4.04 432 430 A 49 ASN H A 49 ASN HBx 1.0 . 4.13 433 431 A 95 ALA H A 94 MET HGy 1.0 . 5.09 434 432 A 95 ALA H A 94 MET HGy 1.0 . 5.09 435 433 A 89 PHE HD% A 90 THR HB 1.0 . 4.73 436 434 A 53 LYS H A 52 GLU HGy 1.0 . 4.01 437 435 A 25 ASP H A 24 ASP HBy 1.0 . 4.49 438 436 A 63 TYR HD% A 35 ASP HBy 1.0 . 4.83 439 437 A 54 GLU HGy A 51 SER H 1.0 . 5.00 440 438 A 55 ALA H A 54 GLU HGy 1.0 . 4.26 441 439 A 58 GLU H A 58 GLU HGx 1.0 . 3.98 442 440 A 62 GLU H A 61 GLN HBy 1.0 . 3.67 443 441 A 89 PHE HBx A 92 TRP HD1 1.0 . 3.86 444 442 A 87 PRO HGy A 88 THR H 1.0 . 4.08 445 443 A 81 LYS HBy A 84 PHE HD% 1.0 . 3.66 446 444 A 81 LYS HBy A 84 PHE HE% 1.0 . 3.80 447 445 A 14 LEU HBy A 7 SER H 1.0 . 4.04 448 446 A 12 ARG H A 12 ARG HGx 1.0 . 3.98 449 447 A 55 ALA H A 57 ALA HB% 1.0 . 4.83 450 448 A 81 LYS HBy A 84 PHE HD% 1.0 . 3.25 451 449 A 56 ALA HB% A 13 PHE HE% 1.0 . 3.41 452 450 A 12 ARG H A 12 ARG HGx 1.0 . 3.98 453 451 A 24 ASP H A 22 THR HG2% 1.0 . 4.67 454 452 A 24 ASP H A 22 THR HG2% 1.0 . 5.18 455 453 A 101 TRP H A 100 CYS HBx 1.0 . 4.17 456 454 A 64 LEU H A 64 LEU HD2% 1.0 . 4.04 457 455 A 31 VAL H A 31 VAL HG2% 1.0 . 4.25 458 456 A 31 VAL H A 31 VAL HG2% 1.0 . 4.66 459 457 A 13 PHE HE% A 55 ALA HB% 1.0 . 3.91 460 458 A 13 PHE HE% A 55 ALA HB% 1.0 . 4.10 461 459 A 57 ALA H A 55 ALA HB% 1.0 . 4.52 462 460 A 91 GLY H A 90 THR HG2% 1.0 . 4.34 463 461 A 90 THR H A 90 THR HG2% 1.0 . 4.14 464 462 A 53 LYS HBy A 54 GLU H 1.0 . 3.08 465 463 A 105 LYS H A 104 ARG HBx 1.0 . 4.41 466 464 A 99 LEU H A 99 LEU HBx 1.0 . 3.61 467 465 A 3 LEU H A 3 LEU HD2% 1.0 . 5.21 468 466 A 54 GLU H A 57 ALA HB% 1.0 . 4.62 469 467 A 15 ALA H A 14 LEU HBy 1.0 . 4.14 470 468 A 14 LEU H A 14 LEU HBy 1.0 . 3.85 471 469 A 56 ALA HB% A 55 ALA H 1.0 . 4.82 472 470 A 56 ALA HB% A 55 ALA H 1.0 . 5.26 473 471 A 14 LEU H A 14 LEU HG 1.0 . 4.71 474 472 A 81 LYS H A 81 LYS HGy 1.0 . 3.87 475 473 A 11 GLY H A 10 THR HG2% 1.0 . 3.82 476 474 A 81 LYS H A 81 LYS HGy 1.0 . 4.34 477 475 A 14 LEU H A 14 LEU HD1% 1.0 . 4.72 478 476 A 54 GLU H A 31 VAL HG1% 1.0 . 4.88 479 477 A 44 ILE H A 44 ILE HG2% 1.0 . 5.03 480 478 A 44 ILE H A 44 ILE HG2% 1.0 . 5.31 481 479 A 54 GLU H A 55 ALA HB% 1.0 . 4.87 482 480 A 54 GLU H A 55 ALA HB% 1.0 . 5.34 483 481 A 42 PHE HBy A 43 TRP H 1.0 . 4.66 484 482 A 96 TRP HBy A 96 TRP HD1 1.0 . 2.96 485 483 A 96 TRP HBy A 96 TRP HE3 1.0 . 3.42 486 484 A 92 TRP HBx A 92 TRP H 1.0 . 3.40 487 485 A 55 ALA H A 51 SER HA 1.0 . 5.11 488 486 A 63 TYR HD% A 35 ASP HBy 1.0 . 4.83 489 487 A 6 CYS HBx A 13 PHE HE% 1.0 . 3.52 490 488 A 97 ASP HBy A 100 CYS H 1.0 . 4.26 491 489 A 13 PHE HD% A 52 GLU HBy 1.0 . 4.33 492 490 A 64 LEU HBx A 63 TYR HD% 1.0 . 4.66 493 491 A 13 PHE HD% A 14 LEU HD1% 1.0 . 5.34 494 492 A 4 PHE HD% A 3 LEU HD2% 1.0 . 4.36 495 493 A 89 PHE HD% A 34 LEU HD2% 1.0 . 3.85 496 494 A 13 PHE HD% A 55 ALA HB% 1.0 . 3.68 497 495 A 13 PHE HD% A 55 ALA HB% 1.0 . 3.94 498 496 A 89 PHE HD% A 90 THR HG2% 1.0 . 4.09 499 497 A 89 PHE HE% A 90 THR HG2% 1.0 . 3.62 500 498 A 44 ILE H A 43 TRP HD1 1.0 . 4.79 501 499 A 7 SER HA A 13 PHE HE% 1.0 . 4.27 502 500 A 21 PHE H A 21 PHE HD% 1.0 . 2.83 503 501 A 19 VAL HA A 18 ILE HG2% 1.0 . 4.65 504 502 A 97 ASP HBy A 96 TRP HA 1.0 . 5.50 505 503 A 81 LYS HBy A 83 GLY HAy 1.0 . 4.90 506 504 A 64 LEU HD2% A 64 LEU HA 1.0 . 5.11 507 505 A 64 LEU HD1% A 64 LEU HA 1.0 . 3.79 508 506 A 64 LEU HD1% A 64 LEU HA 1.0 . 3.96 509 507 A 90 THR HA A 90 THR HG2% 1.0 . 3.67 510 508 A 3 LEU HG A 32 TYR HBy 1.0 . 4.22 511 509 A 30 ASP HBy A 31 VAL HB 1.0 . 4.62 512 510 A 34 LEU HBy A 41 PHE HBx 1.0 . 5.06 513 511 A 31 VAL HG2% A 52 GLU HGy 1.0 . 4.22 514 512 A 31 VAL HG2% A 52 GLU HGy 1.0 . 4.58 515 513 A 54 GLU HGy A 53 LYS HBy 1.0 . 3.80 516 514 A 73 LEU HD2% A 73 LEU HBy 1.0 . 3.29 517 515 A 73 LEU HD2% A 73 LEU HBy 1.0 . 3.72 518 516 A 14 LEU HBy A 14 LEU HD1% 1.0 . 4.05 519 517 A 64 LEU HD1% A 64 LEU HD2% 1.0 . 3.16 520 518 A 30 ASP H A 29 ASN H 1.0 . 3.95 521 519 A 32 TYR H A 33 LEU H 1.0 . 5.41 522 520 A 29 ASN H A 47 GLY H 1.0 . 5.30 523 521 A 37 TRP H A 38 ASP H 1.0 . 4.58 524 522 A 41 PHE H A 36 THR H 1.0 . 4.68 525 523 A 50 GLU H A 51 SER H 1.0 . 4.02 526 524 A 52 GLU H A 8 ASN HD2y 1.0 . 4.91 527 525 A 14 LEU H A 13 PHE H 1.0 . 4.75 528 526 A 52 GLU H A 54 GLU H 1.0 . 4.85 529 527 A 104 ARG H A 105 LYS H 1.0 . 4.42 530 528 A 14 LEU H A 7 SER H 1.0 . 4.17 531 529 A 6 CYS H A 7 SER H 1.0 . 5.50 532 530 A 94 MET H A 93 PHE H 1.0 . 4.57 533 531 A 106 SER H A 107 TYR H 1.0 . 4.84 534 532 A 55 ALA H A 57 ALA H 1.0 . 4.28 535 533 A 10 THR H A 12 ARG H 1.0 . 4.07 536 534 A 84 PHE H A 84 PHE HE% 1.0 . 4.71 537 535 A 26 LEU H A 24 ASP H 1.0 . 4.37 538 536 A 90 THR H A 89 PHE HE% 1.0 . 4.71 539 537 A 14 LEU H A 13 PHE HE% 1.0 . 4.16 540 538 A 25 ASP H A 21 PHE HD% 1.0 . 4.10 541 539 A 7 SER H A 13 PHE HD% 1.0 . 5.31 542 540 A 91 GLY H A 96 TRP HE3 1.0 . 5.50 543 541 A 13 PHE HD% A 8 ASN HD2y 1.0 . 4.10 544 542 A 14 LEU H A 13 PHE HD% 1.0 . 3.79 545 543 A 64 LEU H A 63 TYR HD% 1.0 . 4.15 546 544 A 31 VAL H A 30 ASP H 1.0 . 4.29 547 545 A 52 GLU H A 8 ASN HD2x 1.0 . 3.61 548 546 A 84 PHE H A 84 PHE HD% 1.0 . 3.73 549 547 A 38 ASP H A 37 TRP HD1 1.0 . 4.10 550 548 A 13 PHE H A 12 ARG H 1.0 . 4.65 551 549 A 75 THR H A 73 LEU H 1.0 . 4.32 552 550 A 6 CYS H A 13 PHE HE% 1.0 . 4.41 553 551 A 13 PHE H A 13 PHE HD% 1.0 . 3.86 554 552 A 97 ASP H A 96 TRP HE3 1.0 . 4.10 555 553 A 96 TRP H A 96 TRP HD1 1.0 . 4.15 556 554 A 15 ALA H A 13 PHE HD% 1.0 . 4.38 557 555 A 18 ILE H A 4 PHE HD% 1.0 . 4.54 558 556 A 81 LYS H A 82 GLN H 1.0 . 4.84 559 557 A 33 LEU H A 4 PHE HD% 1.0 . 4.29 560 558 A 17 GLU H A 4 PHE HD% 1.0 . 4.28 561 559 A 5 GLU H A 4 PHE HD% 1.0 . 4.32 562 560 A 4 PHE H A 4 PHE HD% 1.0 . 3.81 563 561 A 92 TRP HE1 A 92 TRP H 1.0 . 5.50 564 562 A 22 THR H A 21 PHE HD% 1.0 . 3.96 565 563 A 20 ASP H A 21 PHE HD% 1.0 . 4.21 566 564 A 29 ASN H A 29 ASN HD2y 1.0 . 4.31 567 565 A 37 TRP H A 37 TRP HD1 1.0 . 4.56 568 566 A 37 TRP H A 39 GLN H 1.0 . 4.53 569 567 A 16 THR H A 7 SER H 1.0 . 4.67 570 568 A 25 ASP H A 22 THR H 1.0 . 4.38 571 569 A 29 ASN H A 29 ASN HD2x 1.0 . 4.31 572 570 A 80 VAL H A 44 ILE H 1.0 . 4.86 573 571 A 80 VAL H A 81 LYS H 1.0 . 5.06 574 572 A 85 GLU H A 84 PHE H 1.0 . 3.96 575 573 A 56 ALA H A 54 GLU HA 1.0 . 5.23 576 574 A 106 SER H A 104 ARG HA 1.0 . 4.93 577 575 A 57 ALA H A 54 GLU HA 1.0 . 3.72 578 576 A 51 SER HBy A 8 ASN HD2x 1.0 . 3.79 579 577 A 75 THR H A 73 LEU HA 1.0 . 3.92 580 578 A 99 LEU H A 100 CYS HA 1.0 . 4.84 581 579 A 51 SER HBy A 54 GLU H 1.0 . 4.70 582 580 A 91 GLY H A 90 THR HB 1.0 . 4.43 583 581 A 96 TRP HE3 A 90 THR HB 1.0 . 5.20 584 582 A 63 TYR HD% A 64 LEU HA 1.0 . 4.10 585 583 A 27 ASP H A 27 ASP HBx 1.0 . 3.54 586 584 A 2 ARG H A 2 ARG HDy 1.0 . 4.69 587 585 A 2 ARG H A 2 ARG HDy 1.0 . 4.69 588 586 A 51 SER H A 49 ASN HBx 1.0 . 4.35 589 587 A 25 ASP H A 21 PHE HBy 1.0 . 3.59 590 588 A 92 TRP H A 90 THR HA 1.0 . 3.96 591 589 A 21 PHE H A 21 PHE HBy 1.0 . 3.75 592 590 A 54 GLU HGy A 51 SER HA 1.0 . 4.32 593 591 A 49 ASN HBx A 50 GLU HA 1.0 . 4.31 594 592 A 78 ILE HA A 79 VAL HB 1.0 . 4.53 595 593 A 54 GLU HGy A 54 GLU HA 1.0 . 3.36 596 594 A 90 THR HA A 89 PHE HA 1.0 . 5.38 597 595 A 51 SER HBy A 49 ASN HBx 1.0 . 4.17 598 596 A 61 GLN HBy A 58 GLU HA 1.0 . 2.95 599 597 A 102 SER HBy A 87 PRO HGy 1.0 . 2.76 600 598 A 52 GLU H A 52 GLU HGy 1.0 . 3.65 601 599 A 54 GLU HGy A 54 GLU H 1.0 . 3.85 602 600 A 13 PHE HD% A 52 GLU HBy 1.0 . 4.33 603 601 A 8 ASN HBy A 13 PHE HD% 1.0 . 3.96 604 602 A 92 TRP HBx A 92 TRP HD1 1.0 . 3.54 605 603 A 43 TRP H A 32 TYR HBy 1.0 . 4.55 606 604 A 54 GLU HGy A 54 GLU H 1.0 . 4.13 607 605 A 58 GLU HBy A 58 GLU H 1.0 . 2.97 608 606 A 19 VAL H A 19 VAL HB 1.0 . 3.39 609 607 A 34 LEU HBy A 89 PHE HD% 1.0 . 3.94 610 608 A 64 LEU HBx A 61 GLN HA 1.0 . 3.13 611 609 A 87 PRO HGy A 88 THR HG2% 1.0 . 3.75 612 610 A 78 ILE HB A 78 ILE HG2% 1.0 . 3.01 613 611 A 21 PHE HBy A 22 THR HG2% 1.0 . 4.33 614 612 A 42 PHE HBy A 77 ILE HG2% 1.0 . 3.47 615 613 A 42 PHE HBy A 77 ILE HG2% 1.0 . 3.56 616 614 A 64 LEU HBx A 64 LEU HD2% 1.0 . 3.11 617 615 A 64 LEU HBx A 64 LEU HD2% 1.0 . 3.25 618 616 A 77 ILE HG2% A 77 ILE HB 1.0 . 2.90 619 617 A 40 ILE HG2% A 33 LEU HBx 1.0 . 4.51 620 618 A 40 ILE HG2% A 33 LEU HBx 1.0 . 5.15 621 619 A 40 ILE HG2% A 33 LEU HBx 1.0 . 5.02 622 620 A 31 VAL HG2% A 31 VAL HG1% 1.0 . 2.40 623 621 A 64 LEU HD1% A 64 LEU HD2% 1.0 . 2.50 624 622 A 78 ILE HG2% A 78 ILE HD1% 1.0 . 3.19 625 623 A 96 TRP HE3 A 90 THR HG2% 1.0 . 5.50 626 624 A 90 THR H A 90 THR HG2% 1.0 . 4.33 627 625 A 80 VAL H A 80 VAL HB 1.0 . 3.69 628 626 A 5 GLU H A 5 GLU HBx 1.0 . 3.75 629 627 A 104 ARG H A 104 ARG HBx 1.0 . 3.71 630 628 A 44 ILE H A 80 VAL HB 1.0 . 3.47 631 629 A 104 ARG H A 104 ARG HBx 1.0 . 3.29 632 630 A 77 ILE H A 77 ILE HB 1.0 . 3.20 633 631 A 14 LEU H A 8 ASN HBy 1.0 . 4.07 634 632 A 58 GLU H A 57 ALA HB% 1.0 . 3.88 635 633 A 56 ALA HB% A 57 ALA H 1.0 . 3.13 636 634 A 89 PHE H A 88 THR HG2% 1.0 . 3.53 637 635 A 88 THR H A 88 THR HG2% 1.0 . 3.63 638 636 A 43 TRP HD1 A 80 VAL HB 1.0 . 3.91 639 637 A 41 PHE HA A 78 ILE HB 1.0 . 3.50 640 638 A 54 GLU HA A 57 ALA HB% 1.0 . 3.10 641 639 A 88 THR HG2% A 88 THR HA 1.0 . 3.23 642 640 A 56 ALA HB% A 56 ALA HA 1.0 . 2.95 643 641 A 54 GLU HGy A 54 GLU HA 1.0 . 3.92 644 642 A 95 ALA HB% A 96 TRP HA 1.0 . 5.19 645 643 A 10 THR H A 10 THR HG2% 1.0 . 3.20 646 644 A 17 GLU H A 16 THR HG21 1.0 . 3.52 647 645 A 17 GLU H A 16 THR HG21 1.0 . 3.94 648 646 A 23 GLN H A 22 THR HG2% 1.0 . 4.46 649 647 A 16 THR H A 15 ALA HB% 1.0 . 3.45 650 648 A 78 ILE H A 78 ILE HD1% 1.0 . 4.37 651 649 A 79 VAL H A 78 ILE HG2% 1.0 . 3.34 652 650 A 13 PHE HE% A 15 ALA HB% 1.0 . 3.64 653 651 A 13 PHE HD% A 15 ALA HB% 1.0 . 3.75 654 652 A 82 GLN H A 81 LYS HGy 1.0 . 3.57 655 653 A 78 ILE HA A 78 ILE HG2% 1.0 . 3.14 656 654 A 75 THR HG2% A 75 THR HA 1.0 . 3.36 657 655 A 75 THR HG2% A 75 THR HA 1.0 . 3.32 658 656 A 31 VAL HG1% A 53 LYS HA 1.0 . 2.72 659 657 A 75 THR HB A 75 THR HG2% 1.0 . 2.94 660 658 A 64 LEU HD2% A 64 LEU HA 1.0 . 3.29 661 659 A 44 ILE HA A 44 ILE HG2% 1.0 . 3.12 662 660 A 51 SER HA A 55 ALA HB% 1.0 . 4.95 663 661 A 43 TRP HD1 A 80 VAL HG2% 1.0 . 3.23 664 662 A 15 ALA H A 14 LEU HD1% 1.0 . 3.59 665 663 A 15 ALA H A 14 LEU HD1% 1.0 . 3.81 666 664 A 19 VAL H A 18 ILE HG2% 1.0 . 2.71 667 665 A 41 PHE H A 40 ILE HG2% 1.0 . 3.74 668 666 A 80 VAL H A 80 VAL HG2% 1.0 . 3.67 669 667 A 80 VAL H A 80 VAL HG2% 1.0 . 3.89 670 668 A 34 LEU HBy A 41 PHE H 1.0 . 4.09 671 669 A 78 ILE H A 77 ILE HG2% 1.0 . 3.43 672 670 A 36 THR HG2% A 37 TRP H 1.0 . 5.50 673 671 A 77 ILE H A 77 ILE HG2% 1.0 . 4.30 674 672 A 45 GLY H A 44 ILE HG2% 1.0 . 3.53 675 673 A 64 LEU H A 64 LEU HD2% 1.0 . 3.60 676 674 A 36 THR HG2% A 92 TRP HZ2 1.0 . 4.98 677 675 A 31 VAL HG2% A 31 VAL HA 1.0 . 3.52 678 676 A 78 ILE HA A 78 ILE HD1% 1.0 . 4.86 679 677 A 89 PHE HA A 34 LEU HD2% 1.0 . 4.44 680 678 A 64 LEU HBx A 64 LEU HD1% 1.0 . 3.65 681 679 A 64 LEU HBx A 64 LEU HD1% 1.0 . 4.04 682 680 A 54 GLU HBy A 55 ALA HB% 1.0 . 3.64 683 681 A 56 ALA HB% A 55 ALA HB% 1.0 . 3.98 684 682 A 18 ILE H A 19 VAL H 1.0 . 4.45 685 683 A 56 ALA H A 54 GLU H 1.0 . 3.89 686 684 A 25 ASP H A 24 ASP H 1.0 . 3.94 687 685 A 91 GLY H A 90 THR H 1.0 . 3.89 688 686 A 79 VAL H A 77 ILE HG2% 1.0 . 5.09 689 687 A 6 CYS H A 31 VAL HG1% 1.0 . 4.19 690 688 A 4 PHE H A 4 PHE HBy 1.0 . 3.97 691 689 A 4 PHE H A 4 PHE HBx 1.0 . 3.93 692 690 A 79 VAL HB A 80 VAL H 1.0 . 3.98 693 691 A 81 LYS H A 81 LYS HBy 1.0 . 3.67 694 692 A 45 GLY HAx A 46 LYS HA 1.0 . 4.40 695 693 A 5 GLU H A 16 THR HB 1.0 . 5.50 696 694 A 89 PHE H A 88 THR HB 1.0 . 3.52 697 695 A 59 THR HA A 62 GLU HBy 1.0 . 3.64 698 696 A 63 TYR H A 59 THR HA 1.0 . 5.50 699 697 A 90 THR HA A 90 THR HG2% 1.0 . 3.87 700 698 A 90 THR HA A 89 PHE HD% 1.0 . 4.01 701 699 A 93 PHE H A 90 THR HA 1.0 . 5.50 702 700 A 54 GLU HBy A 51 SER HA 1.0 . 3.67 703 701 A 10 THR HG2% A 10 THR HA 1.0 . 3.37 704 702 A 31 VAL HA A 31 VAL HG1% 1.0 . 4.14 705 703 A 31 VAL HA A 44 ILE HA 1.0 . 4.49 706 704 A 31 VAL HA A 45 GLY H 1.0 . 4.05 707 705 A 22 THR HG2% A 22 THR HA 1.0 . 3.83 708 706 A 77 ILE HA A 77 ILE HG1x 1.0 . 3.79 709 707 A 77 ILE HA A 77 ILE HG1x 1.0 . 3.78 710 708 A 40 ILE HG2% A 40 ILE HA 1.0 . 3.36 711 709 A 77 ILE HA A 77 ILE HG2% 1.0 . 3.45 712 710 A 40 ILE HA A 36 THR H 1.0 . 4.02 713 711 A 75 THR HA A 76 PRO HDy 1.0 . 3.44 714 712 A 75 THR HA A 76 PRO HDy 1.0 . 3.44 715 713 A 31 VAL HG2% A 53 LYS HA 1.0 . 4.48 716 714 A 56 ALA HB% A 53 LYS HA 1.0 . 3.68 717 715 A 44 ILE HA A 31 VAL HG1% 1.0 . 4.47 718 716 A 16 THR HA A 16 THR HG21 1.0 . 3.49 719 717 A 36 THR HG2% A 36 THR HA 1.0 . 3.66 720 718 A 89 PHE HA A 34 LEU HD2% 1.0 . 5.50 721 719 A 93 PHE HA A 93 PHE HD% 1.0 . 4.28 722 720 A 43 TRP HA A 80 VAL HG2% 1.0 . 4.61 723 721 A 43 TRP HA A 80 VAL HG2% 1.0 . 4.85 724 722 A 43 TRP HA A 44 ILE HB 1.0 . 5.45 725 723 A 43 TRP HA A 80 VAL HB 1.0 . 3.71 726 724 A 43 TRP HA A 80 VAL HG1% 1.0 . 5.02 727 725 A 43 TRP HA A 80 VAL HG1% 1.0 . 5.50 728 726 A 43 TRP HA A 80 VAL HG1% 1.0 . 5.50 729 727 A 43 TRP HA A 44 ILE HA 1.0 . 5.50 730 728 A 15 ALA HA A 6 CYS HA 1.0 . 3.38 731 729 A 41 PHE HA A 77 ILE HG2% 1.0 . 5.50 732 730 A 41 PHE HA A 80 VAL HG2% 1.0 . 5.50 733 731 A 41 PHE HA A 80 VAL HG2% 1.0 . 5.50 734 732 A 41 PHE HA A 80 VAL HG2% 1.0 . 5.50 735 733 A 13 PHE HA A 8 ASN HA 1.0 . 4.36 736 734 A 26 LEU H A 23 GLN HA 1.0 . 4.26 737 735 A 61 GLN H A 58 GLU HA 1.0 . 3.69 738 736 A 56 ALA H A 52 GLU HA 1.0 . 4.40 739 737 A 13 PHE HA A 13 PHE HD% 1.0 . 5.50 740 738 A 64 LEU H A 61 GLN HA 1.0 . 5.26 741 739 A 64 LEU HD2% A 61 GLN HA 1.0 . 4.17 742 740 A 18 ILE HA A 18 ILE HG2% 1.0 . 2.86 743 741 A 18 ILE HA A 18 ILE HD1% 1.0 . 3.23 744 742 A 80 VAL HA A 80 VAL HG1% 1.0 . 4.07 745 743 A 80 VAL HA A 80 VAL HG1% 1.0 . 4.14 746 744 A 97 ASP H A 96 TRP HA 1.0 . 3.09 747 745 A 5 GLU HA A 32 TYR HA 1.0 . 5.50 748 746 A 84 PHE H A 85 GLU HA 1.0 . 5.45 749 747 A 63 TYR H A 60 ALA HA 1.0 . 5.50 750 748 A 63 TYR HD% A 60 ALA HA 1.0 . 5.50 751 749 A 57 ALA HA A 59 THR H 1.0 . 5.50 752 750 A 26 LEU H A 24 ASP HA 1.0 . 5.50 753 751 A 48 ALA HB% A 30 ASP HA 1.0 . 4.30 754 752 A 17 GLU HA A 4 PHE HA 1.0 . 3.55 755 753 A 18 ILE HB A 4 PHE HA 1.0 . 5.50 756 754 A 56 ALA HB% A 32 TYR HA 1.0 . 5.50 757 755 A 18 ILE H A 4 PHE HA 1.0 . 5.50 758 756 A 63 TYR HBy A 60 ALA HA 1.0 . 3.81 759 757 A 64 LEU HD2% A 60 ALA HA 1.0 . 5.50 760 758 A 64 LEU HD2% A 60 ALA HA 1.0 . 5.50 761 759 A 64 LEU HD2% A 60 ALA HA 1.0 . 5.50 762 760 A 59 THR HB A 56 ALA HA 1.0 . 3.77 763 761 A 59 THR HG2% A 56 ALA HA 1.0 . 5.50 764 762 A 59 THR HG2% A 56 ALA HA 1.0 . 5.50 765 763 A 59 THR HG2% A 56 ALA HA 1.0 . 5.50 766 764 A 73 LEU HD2% A 73 LEU HA 1.0 . 2.90 767 765 A 81 LYS HA A 81 LYS HGy 1.0 . 3.82 768 766 A 81 LYS HA A 80 VAL HG1% 1.0 . 5.50 769 767 A 81 LYS HA A 80 VAL HG1% 1.0 . 5.50 770 768 A 81 LYS HA A 80 VAL HG1% 1.0 . 5.50 771 769 A 58 GLU HBy A 55 ALA HA 1.0 . 3.54 772 770 A 73 LEU H A 72 ASP HA 1.0 . 3.40 773 771 A 40 ILE HG2% A 35 ASP HA 1.0 . 4.27 774 772 A 40 ILE HG2% A 35 ASP HA 1.0 . 4.44 775 773 A 34 LEU HA A 3 LEU HD2% 1.0 . 3.94 776 774 A 3 LEU HA A 3 LEU HD2% 1.0 . 3.46 777 775 A 12 ARG HA A 12 ARG HDy 1.0 . 4.56 778 776 A 12 ARG HA A 12 ARG HDy 1.0 . 4.56 779 777 A 59 THR H A 55 ALA HA 1.0 . 5.50 780 778 A 26 LEU HA A 26 LEU HD2% 1.0 . 3.53 781 779 A 14 LEU HA A 14 LEU HD1% 1.0 . 3.44 782 780 A 82 GLN HBy A 45 GLY HAx 1.0 . 3.93 783 780 A 45 GLY HAx A 82 GLN HBx 1.0 . 3.93 784 781 A 15 ALA H A 14 LEU HBy 1.0 . 5.50 785 782 A 14 LEU HBy A 14 LEU HD1% 1.0 . 3.71 786 783 A 34 LEU HBy A 89 PHE HE% 1.0 . 5.50 787 784 A 33 LEU HBx A 4 PHE HD% 1.0 . 5.50 788 785 A 4 PHE HBy A 33 LEU HBx 1.0 . 5.50 789 786 A 34 LEU HBy A 34 LEU HD2% 1.0 . 3.75 790 787 A 34 LEU HBy A 3 LEU HD2% 1.0 . 3.63 791 788 A 34 LEU HBy A 34 LEU HD2% 1.0 . 4.00 792 789 A 34 LEU HBy A 41 PHE HBx 1.0 . 5.50 793 790 A 28 GLU H A 27 ASP HBx 1.0 . 4.25 794 791 A 64 LEU H A 64 LEU HBx 1.0 . 4.10 795 792 A 64 LEU HBx A 65 ARG H 1.0 . 4.41 796 793 A 64 LEU HBx A 64 LEU HD1% 1.0 . 4.10 797 794 A 64 LEU HBx A 64 LEU HD2% 1.0 . 4.21 798 795 A 64 LEU HBx A 64 LEU HD2% 1.0 . 3.98 799 796 A 3 LEU HG A 21 PHE HBx 1.0 . 5.50 800 797 A 21 PHE HBx A 3 LEU HD1% 1.0 . 3.90 801 798 A 21 PHE HBy A 3 LEU HD1% 1.0 . 4.36 802 799 A 34 LEU HBy A 41 PHE HBy 1.0 . 5.06 803 800 A 50 GLU H A 49 ASN HBx 1.0 . 3.99 804 801 A 5 GLU HA A 4 PHE HBy 1.0 . 5.18 805 802 A 34 LEU HBy A 41 PHE HBy 1.0 . 5.50 806 803 A 42 PHE HBy A 79 VAL HG2% 1.0 . 3.72 807 804 A 42 PHE HBx A 79 VAL HG2% 1.0 . 5.06 808 805 A 4 PHE HBx A 33 LEU HBx 1.0 . 5.01 809 806 A 4 PHE HBy A 33 LEU HBx 1.0 . 5.50 810 807 A 4 PHE HBx A 33 LEU HBx 1.0 . 5.50 811 808 A 40 ILE H A 40 ILE HB 1.0 . 3.96 812 809 A 77 ILE HG1x A 40 ILE HB 1.0 . 3.99 813 810 A 84 PHE HBx A 81 LYS H 1.0 . 4.39 814 811 A 84 PHE HBy A 84 PHE H 1.0 . 4.17 815 812 A 18 ILE HB A 3 LEU HD1% 1.0 . 3.79 816 813 A 18 ILE HB A 21 PHE HBx 1.0 . 5.50 817 814 A 52 GLU H A 54 GLU HGy 1.0 . 5.50 818 815 A 53 LYS H A 54 GLU HGy 1.0 . 5.50 819 816 A 81 LYS HA A 80 VAL HB 1.0 . 5.50 820 817 A 56 ALA HB% A 31 VAL HB 1.0 . 5.50 821 818 A 84 PHE HBx A 81 LYS HBy 1.0 . 5.07 822 819 A 9 LYS H A 12 ARG HBy 1.0 . 4.19 823 820 A 39 GLN H A 39 GLN HGy 1.0 . 5.50 824 821 A 39 GLN H A 39 GLN HGy 1.0 . 5.50 825 822 A 51 SER H A 50 GLU HBy 1.0 . 4.28 826 823 A 62 GLU H A 62 GLU HBy 1.0 . 3.06 827 824 A 63 TYR H A 62 GLU HBy 1.0 . 4.18 828 825 A 6 CYS HBx A 13 PHE HE% 1.0 . 5.13 829 826 A 36 THR HG2% A 92 TRP HBx 1.0 . 5.09 830 827 A 6 CYS HBx A 56 ALA HB% 1.0 . 3.78 831 828 A 6 CYS HBx A 31 VAL HB 1.0 . 4.12 832 829 A 105 LYS HA A 104 ARG HBx 1.0 . 4.20 833 830 A 89 PHE HE% A 34 LEU HD2% 1.0 . 5.50 834 831 A 102 SER H A 101 TRP HBy 1.0 . 4.13 835 832 A 102 SER H A 101 TRP HBy 1.0 . 4.13 836 833 A 40 ILE HG2% A 40 ILE HG1y 1.0 . 4.13 837 834 A 40 ILE HG2% A 40 ILE HG1y 1.0 . 4.13 838 835 A 54 GLU HBy A 54 GLU HA 1.0 . 2.99 839 836 A 3 LEU HD1% A 3 LEU HD2% 1.0 . 4.17 840 837 A 3 LEU HD1% A 3 LEU HD2% 1.0 . 4.22 841 838 A 3 LEU HD1% A 18 ILE HG2% 1.0 . 3.86 842 839 A 3 LEU HD1% A 3 LEU HBx 1.0 . 3.86 843 840 A 77 ILE HG1x A 77 ILE HG2% 1.0 . 3.48 844 841 A 77 ILE HG1x A 77 ILE HG2% 1.0 . 3.68 845 842 A 73 LEU HD1% A 73 LEU HBy 1.0 . 3.08 846 843 A 73 LEU HD1% A 73 LEU HBy 1.0 . 3.08 847 844 A 73 LEU HA A 73 LEU HD1% 1.0 . 5.50 848 845 A 73 LEU HA A 73 LEU HD1% 1.0 . 5.50 849 846 A 73 LEU HA A 73 LEU HD1% 1.0 . 5.50 850 847 A 64 LEU HD2% A 61 GLN HA 1.0 . 4.16 851 848 A 84 PHE HBx A 80 VAL HG1% 1.0 . 4.69 852 849 A 84 PHE HBx A 80 VAL HG1% 1.0 . 4.68 853 850 A 73 LEU HD2% A 73 LEU HBy 1.0 . 3.29 854 851 A 73 LEU HD2% A 73 LEU HBy 1.0 . 3.72 855 852 A 56 ALA HB% A 31 VAL HG1% 1.0 . 3.48 856 853 A 31 VAL HG1% A 53 LYS HGy 1.0 . 4.33 857 854 A 31 VAL HG1% A 53 LYS HGy 1.0 . 4.62 858 855 A 6 CYS HBx A 31 VAL HG1% 1.0 . 4.38 859 856 A 6 CYS HBx A 31 VAL HG1% 1.0 . 4.57 860 857 A 31 VAL HG2% A 48 ALA HB% 1.0 . 3.83 861 858 A 31 VAL HG2% A 48 ALA HB% 1.0 . 4.42 862 859 A 31 VAL HG2% A 53 LYS HGy 1.0 . 5.50 863 860 A 31 VAL HG2% A 53 LYS HGy 1.0 . 5.50 864 861 A 6 CYS HBx A 31 VAL HG2% 1.0 . 5.50 865 862 A 31 VAL HG2% A 44 ILE HA 1.0 . 5.31 866 863 A 31 VAL HG2% A 44 ILE HA 1.0 . 5.50 867 864 A 34 LEU HBy A 3 LEU HD2% 1.0 . 5.24 868 865 A 34 LEU HBy A 3 LEU HD2% 1.0 . 5.50 869 866 A 32 TYR HBy A 3 LEU HD2% 1.0 . 3.59 870 867 A 32 TYR HBy A 3 LEU HD2% 1.0 . 4.01 871 868 A 19 VAL HA A 19 VAL HG1% 1.0 . 3.99 872 869 A 19 VAL HA A 19 VAL HG1% 1.0 . 4.02 873 870 A 59 THR HG2% A 59 THR HA 1.0 . 3.68 874 871 A 59 THR HG2% A 59 THR HA 1.0 . 3.67 875 872 A 32 TYR H A 31 VAL HG2% 1.0 . 4.61 876 873 A 32 TYR H A 31 VAL HG2% 1.0 . 5.28 877 874 A 57 ALA H A 31 VAL HG1% 1.0 . 4.85 878 875 A 43 TRP HD1 A 80 VAL HG1% 1.0 . 4.53 879 876 A 43 TRP HD1 A 80 VAL HG1% 1.0 . 5.23 880 877 A 43 TRP HD1 A 80 VAL HG1% 1.0 . 5.03 881 878 A 19 VAL H A 19 VAL HG2% 1.0 . 4.10 882 879 A 19 VAL H A 19 VAL HG2% 1.0 . 4.65 883 880 A 19 VAL H A 19 VAL HG1% 1.0 . 5.50 884 881 A 19 VAL H A 19 VAL HG1% 1.0 . 5.50 885 882 A 19 VAL H A 19 VAL HG1% 1.0 . 5.50 886 883 A 48 ALA HB% A 31 VAL HB 1.0 . 4.93 887 884 A 48 ALA HB% A 31 VAL HB 1.0 . 5.45 888 885 A 48 ALA HB% A 44 ILE HA 1.0 . 5.50 889 886 A 48 ALA HB% A 44 ILE HA 1.0 . 5.50 890 887 A 21 PHE HBy A 18 ILE HG2% 1.0 . 3.89 891 888 A 21 PHE HBx A 18 ILE HG2% 1.0 . 3.29 892 889 A 36 THR HG2% A 92 TRP HD1 1.0 . 3.46 893 890 A 56 ALA HB% A 31 VAL HB 1.0 . 4.20 894 891 A 56 ALA HB% A 31 VAL HB 1.0 . 4.39 895 892 A 6 CYS HBx A 56 ALA HB% 1.0 . 4.43 896 893 A 6 CYS HBx A 56 ALA HB% 1.0 . 4.59 897 894 A 56 ALA HB% A 59 THR HB 1.0 . 5.50 898 895 A 81 LYS HA A 44 ILE HG2% 1.0 . 4.63 899 896 A 57 ALA HA A 60 ALA HB% 1.0 . 3.50 900 897 A 60 ALA HB% A 61 GLN HGy 1.0 . 5.50 901 898 A 60 ALA HB% A 61 GLN HGy 1.0 . 5.50 902 899 A 63 TYR HBy A 60 ALA HB% 1.0 . 5.50 903 900 A 63 TYR HBy A 60 ALA HB% 1.0 . 5.50 904 901 A 61 GLN HBy A 60 ALA HB% 1.0 . 5.50 905 902 A 64 LEU HBx A 60 ALA HB% 1.0 . 5.44 906 903 A 64 LEU HG A 60 ALA HB% 1.0 . 4.70 907 904 A 52 GLU HA A 55 ALA HB% 1.0 . 3.45 908 905 A 78 ILE HB A 78 ILE HD1% 1.0 . 3.28 909 906 A 78 ILE HB A 78 ILE HD1% 1.0 . 3.54 910 907 A 78 ILE HA A 78 ILE HD1% 1.0 . 4.31 911 908 A 78 ILE HA A 78 ILE HD1% 1.0 . 4.46 912 909 A 3 LEU HD1% A 3 LEU HBx 1.0 . 3.86 913 910 A 87 PRO HGy A 102 SER HA 1.0 . 4.99 914 911 A 53 LYS HA A 53 LYS HGy 1.0 . 4.23 915 912 A 92 TRP H A 90 THR HG2% 1.0 . 5.46 916 913 A 2 ARG H A 2 ARG HDy 1.0 . 4.06 917 913 A 2 ARG H A 2 ARG HDx 1.0 . 4.06 918 914 A 3 LEU H A 2 ARG HBx 1.0 . 3.48 919 914 A 3 LEU H A 2 ARG HBy 1.0 . 3.48 920 915 A 3 LEU HD1% A 3 LEU HBx 1.0 . 3.30 921 915 A 3 LEU HD1% A 3 LEU HBy 1.0 . 3.30 922 916 A 3 LEU HD2% A 3 LEU HBx 1.0 . 3.59 923 916 A 3 LEU HD2% A 3 LEU HBy 1.0 . 3.59 924 917 A 3 LEU HD2% A 3 LEU HBx 1.0 . 3.71 925 917 A 3 LEU HD2% A 3 LEU HBy 1.0 . 3.71 926 918 A 4 PHE H A 3 LEU HBx 1.0 . 4.31 927 918 A 4 PHE H A 3 LEU HBy 1.0 . 4.31 928 919 A 4 PHE HA A 17 GLU HBx 1.0 . 5.21 929 919 A 4 PHE HA A 17 GLU HBy 1.0 . 5.21 930 920 A 4 PHE HD% A 17 GLU HBx 1.0 . 3.67 931 920 A 4 PHE HD% A 17 GLU HBy 1.0 . 3.67 932 921 A 4 PHE HE% A 17 GLU HBx 1.0 . 3.17 933 921 A 17 GLU HBy A 4 PHE HE% 1.0 . 3.17 934 922 A 5 GLU H A 5 GLU HBx 1.0 . 3.29 935 922 A 5 GLU H A 5 GLU HBy 1.0 . 3.29 936 923 A 5 GLU H A 5 GLU HGx 1.0 . 4.79 937 923 A 5 GLU H A 5 GLU HGy 1.0 . 4.79 938 924 A 6 CYS H A 5 GLU HBx 1.0 . 4.29 939 924 A 6 CYS H A 5 GLU HBy 1.0 . 4.29 940 925 A 16 THR HB A 5 GLU HBx 1.0 . 4.20 941 925 A 16 THR HB A 5 GLU HBy 1.0 . 4.20 942 926 A 6 CYS H A 5 GLU HGx 1.0 . 3.56 943 926 A 6 CYS H A 5 GLU HGy 1.0 . 3.56 944 927 A 8 ASN HD2y A 52 GLU HBy 1.0 . 4.50 945 927 A 8 ASN HD2y A 52 GLU HBx 1.0 . 4.50 946 928 A 9 LYS H A 9 LYS HBx 1.0 . 3.20 947 928 A 9 LYS H A 9 LYS HBy 1.0 . 3.20 948 929 A 12 ARG H A 12 ARG HGx 1.0 . 3.38 949 929 A 12 ARG H A 12 ARG HGy 1.0 . 3.38 950 930 A 12 ARG H A 12 ARG HDy 1.0 . 4.26 951 930 A 12 ARG H A 12 ARG HDx 1.0 . 4.26 952 931 A 12 ARG HA A 12 ARG HDy 1.0 . 3.78 953 931 A 12 ARG HA A 12 ARG HDx 1.0 . 3.78 954 932 A 13 PHE H A 12 ARG HGx 1.0 . 4.49 955 932 A 13 PHE H A 12 ARG HGy 1.0 . 4.49 956 933 A 13 PHE H A 12 ARG HDy 1.0 . 4.40 957 933 A 13 PHE H A 12 ARG HDx 1.0 . 4.40 958 934 A 14 LEU H A 13 PHE HBx 1.0 . 4.21 959 934 A 14 LEU H A 13 PHE HBy 1.0 . 4.21 960 935 A 55 ALA HB% A 13 PHE HBx 1.0 . 4.74 961 935 A 55 ALA HB% A 13 PHE HBy 1.0 . 4.74 962 936 A 55 ALA HB% A 13 PHE HBy 1.0 . 5.18 963 936 A 55 ALA HB% A 13 PHE HBx 1.0 . 5.18 964 937 A 55 ALA HB% A 13 PHE HBx 1.0 . 5.34 965 937 A 55 ALA HB% A 13 PHE HBy 1.0 . 5.34 966 938 A 13 PHE HD% A 52 GLU HBy 1.0 . 3.50 967 938 A 13 PHE HD% A 52 GLU HBx 1.0 . 3.50 968 939 A 13 PHE HE% A 52 GLU HBy 1.0 . 3.60 969 939 A 13 PHE HE% A 52 GLU HBx 1.0 . 3.60 970 940 A 17 GLU H A 17 GLU HBx 1.0 . 3.12 971 940 A 17 GLU H A 17 GLU HBy 1.0 . 3.12 972 941 A 18 ILE H A 17 GLU HGx 1.0 . 4.01 973 941 A 18 ILE H A 17 GLU HGy 1.0 . 4.01 974 942 A 18 ILE H A 18 ILE HG1x 1.0 . 5.14 975 942 A 18 ILE H A 18 ILE HG1y 1.0 . 5.14 976 943 A 19 VAL HG1% A 20 ASP HBy 1.0 . 4.48 977 943 A 19 VAL HG1% A 20 ASP HBx 1.0 . 4.48 978 944 A 19 VAL HG1% A 20 ASP HBx 1.0 . 4.88 979 944 A 19 VAL HG1% A 20 ASP HBy 1.0 . 4.88 980 945 A 23 GLN HA A 23 GLN HGy 1.0 . 3.71 981 945 A 23 GLN HA A 23 GLN HGx 1.0 . 3.71 982 946 A 24 ASP H A 23 GLN HGy 1.0 . 4.24 983 946 A 24 ASP H A 23 GLN HGx 1.0 . 4.24 984 947 A 24 ASP H A 24 ASP HBy 1.0 . 2.99 985 947 A 24 ASP H A 24 ASP HBx 1.0 . 2.99 986 948 A 26 LEU H A 26 LEU HBx 1.0 . 3.28 987 948 A 26 LEU H A 26 LEU HBy 1.0 . 3.28 988 949 A 28 GLU H A 27 ASP HBx 1.0 . 3.54 989 949 A 28 GLU H A 27 ASP HBy 1.0 . 3.54 990 950 A 29 ASN H A 27 ASP HBx 1.0 . 4.44 991 950 A 29 ASN H A 27 ASP HBy 1.0 . 4.44 992 951 A 30 ASP H A 27 ASP HBx 1.0 . 4.79 993 951 A 30 ASP H A 27 ASP HBy 1.0 . 4.79 994 952 A 28 GLU H A 28 GLU HBx 1.0 . 3.57 995 952 A 28 GLU H A 28 GLU HBy 1.0 . 3.57 996 953 A 28 GLU H A 28 GLU HGx 1.0 . 3.52 997 953 A 28 GLU H A 28 GLU HGy 1.0 . 3.52 998 954 A 29 ASN H A 28 GLU HGx 1.0 . 4.54 999 954 A 29 ASN H A 28 GLU HGy 1.0 . 4.54 1000 955 A 29 ASN H A 29 ASN HBx 1.0 . 3.23 1001 955 A 29 ASN H A 29 ASN HBy 1.0 . 3.23 1002 956 A 29 ASN H A 29 ASN HD2y 1.0 . 3.73 1003 956 A 29 ASN H A 29 ASN HD2x 1.0 . 3.73 1004 957 A 29 ASN HD2y A 29 ASN HBx 1.0 . 2.90 1005 957 A 29 ASN HD2x A 29 ASN HBy 1.0 . 2.90 1006 957 A 29 ASN HD2x A 29 ASN HBx 1.0 . 2.90 1007 957 A 29 ASN HD2y A 29 ASN HBy 1.0 . 2.90 1008 958 A 48 ALA HB% A 29 ASN HBy 1.0 . 4.36 1009 958 A 48 ALA HB% A 29 ASN HBx 1.0 . 4.36 1010 959 A 31 VAL HA A 44 ILE HG1x 1.0 . 5.34 1011 959 A 31 VAL HA A 44 ILE HG1y 1.0 . 5.34 1012 960 A 31 VAL HG1% A 52 GLU HBx 1.0 . 5.28 1013 960 A 31 VAL HG1% A 52 GLU HBy 1.0 . 5.28 1014 961 A 32 TYR H A 43 TRP HBy 1.0 . 4.31 1015 961 A 32 TYR H A 43 TRP HBx 1.0 . 4.31 1016 962 A 34 LEU H A 41 PHE HBx 1.0 . 4.89 1017 962 A 34 LEU H A 41 PHE HBy 1.0 . 4.89 1018 963 A 34 LEU HBy A 41 PHE HBx 1.0 . 4.27 1019 963 A 34 LEU HBy A 41 PHE HBy 1.0 . 4.27 1020 964 A 34 LEU HD2% A 41 PHE HBx 1.0 . 5.34 1021 964 A 34 LEU HD2% A 41 PHE HBy 1.0 . 5.34 1022 965 A 34 LEU HD2% A 41 PHE HBy 1.0 . 4.08 1023 965 A 34 LEU HD2% A 41 PHE HBx 1.0 . 4.08 1024 966 A 35 ASP HA A 40 ILE HG1y 1.0 . 3.88 1025 966 A 35 ASP HA A 40 ILE HG1x 1.0 . 3.88 1026 967 A 36 THR H A 35 ASP HBy 1.0 . 4.40 1027 967 A 36 THR H A 35 ASP HBx 1.0 . 4.40 1028 968 A 63 TYR HD% A 35 ASP HBy 1.0 . 4.24 1029 968 A 63 TYR HD% A 35 ASP HBx 1.0 . 4.24 1030 969 A 63 TYR HE% A 35 ASP HBy 1.0 . 4.85 1031 969 A 63 TYR HE% A 35 ASP HBx 1.0 . 4.85 1032 970 A 36 THR H A 40 ILE HG1y 1.0 . 4.46 1033 970 A 36 THR H A 40 ILE HG1x 1.0 . 4.46 1034 971 A 37 TRP HD1 A 37 TRP HBx 1.0 . 3.35 1035 971 A 37 TRP HD1 A 37 TRP HBy 1.0 . 3.35 1036 972 A 38 ASP H A 37 TRP HBx 1.0 . 3.94 1037 972 A 38 ASP H A 37 TRP HBy 1.0 . 3.94 1038 973 A 38 ASP H A 38 ASP HBx 1.0 . 3.30 1039 973 A 38 ASP H A 38 ASP HBy 1.0 . 3.30 1040 974 A 39 GLN H A 38 ASP HBx 1.0 . 4.15 1041 974 A 39 GLN H A 38 ASP HBy 1.0 . 4.15 1042 975 A 40 ILE H A 39 GLN HGy 1.0 . 3.42 1043 975 A 40 ILE H A 39 GLN HGx 1.0 . 3.42 1044 976 A 77 ILE HG1x A 39 GLN HGy 1.0 . 3.51 1045 976 A 77 ILE HG1x A 39 GLN HGx 1.0 . 3.51 1046 977 A 77 ILE HG1x A 39 GLN HGy 1.0 . 2.91 1047 977 A 77 ILE HG1x A 39 GLN HGx 1.0 . 2.91 1048 978 A 40 ILE H A 40 ILE HG1y 1.0 . 3.98 1049 978 A 40 ILE H A 40 ILE HG1x 1.0 . 3.98 1050 979 A 40 ILE HG2% A 40 ILE HG1y 1.0 . 3.57 1051 979 A 40 ILE HG2% A 40 ILE HG1x 1.0 . 3.57 1052 980 A 40 ILE HG2% A 40 ILE HG1x 1.0 . 3.40 1053 980 A 40 ILE HG2% A 40 ILE HG1y 1.0 . 3.40 1054 981 A 40 ILE HG2% A 40 ILE HG1x 1.0 . 3.37 1055 981 A 40 ILE HG2% A 40 ILE HG1y 1.0 . 3.37 1056 982 A 41 PHE H A 40 ILE HG1y 1.0 . 5.00 1057 982 A 41 PHE H A 40 ILE HG1x 1.0 . 5.00 1058 983 A 41 PHE H A 41 PHE HBx 1.0 . 3.54 1059 983 A 41 PHE H A 41 PHE HBy 1.0 . 3.54 1060 984 A 42 PHE H A 41 PHE HBx 1.0 . 4.31 1061 984 A 42 PHE H A 41 PHE HBy 1.0 . 4.31 1062 985 A 80 VAL HG2% A 41 PHE HBy 1.0 . 4.23 1063 985 A 80 VAL HG2% A 41 PHE HBx 1.0 . 4.23 1064 986 A 80 VAL HG2% A 41 PHE HBy 1.0 . 4.34 1065 986 A 80 VAL HG2% A 41 PHE HBx 1.0 . 4.34 1066 987 A 89 PHE HD% A 41 PHE HBx 1.0 . 3.39 1067 987 A 89 PHE HD% A 41 PHE HBy 1.0 . 3.39 1068 988 A 89 PHE HE% A 41 PHE HBx 1.0 . 3.89 1069 988 A 89 PHE HE% A 41 PHE HBy 1.0 . 3.89 1070 989 A 43 TRP H A 43 TRP HBy 1.0 . 3.34 1071 989 A 43 TRP H A 43 TRP HBx 1.0 . 3.34 1072 990 A 43 TRP HD1 A 43 TRP HBy 1.0 . 3.29 1073 990 A 43 TRP HD1 A 43 TRP HBx 1.0 . 3.29 1074 991 A 46 LYS H A 46 LYS HBx 1.0 . 3.18 1075 991 A 46 LYS H A 46 LYS HBy 1.0 . 3.18 1076 992 A 46 LYS H A 46 LYS HGy 1.0 . 4.00 1077 992 A 46 LYS H A 46 LYS HGx 1.0 . 4.00 1078 993 A 48 ALA HB% A 52 GLU HBy 1.0 . 3.64 1079 993 A 48 ALA HB% A 52 GLU HBx 1.0 . 3.64 1080 994 A 49 ASN H A 52 GLU HBy 1.0 . 3.67 1081 994 A 49 ASN H A 52 GLU HBx 1.0 . 3.67 1082 995 A 49 ASN HBx A 52 GLU HBy 1.0 . 4.38 1083 995 A 49 ASN HBx A 52 GLU HBx 1.0 . 4.38 1084 996 A 50 GLU H A 50 GLU HBy 1.0 . 3.24 1085 996 A 50 GLU H A 50 GLU HBx 1.0 . 3.24 1086 997 A 50 GLU H A 50 GLU HGx 1.0 . 3.32 1087 997 A 50 GLU H A 50 GLU HGy 1.0 . 3.32 1088 998 A 50 GLU HA A 50 GLU HGx 1.0 . 3.02 1089 998 A 50 GLU HA A 50 GLU HGy 1.0 . 3.02 1090 999 A 51 SER H A 50 GLU HBy 1.0 . 3.60 1091 999 A 51 SER H A 50 GLU HBx 1.0 . 3.60 1092 1000 A 51 SER H A 50 GLU HGx 1.0 . 4.39 1093 1000 A 51 SER H A 50 GLU HGy 1.0 . 4.39 1094 1001 A 52 GLU H A 52 GLU HBy 1.0 . 3.08 1095 1001 A 52 GLU H A 52 GLU HBx 1.0 . 3.08 1096 1002 A 53 LYS H A 52 GLU HBy 1.0 . 3.50 1097 1002 A 53 LYS H A 52 GLU HBx 1.0 . 3.50 1098 1003 A 53 LYS H A 53 LYS HDx 1.0 . 3.61 1099 1003 A 53 LYS H A 53 LYS HDy 1.0 . 3.61 1100 1004 A 54 GLU H A 53 LYS HDx 1.0 . 4.11 1101 1004 A 54 GLU H A 53 LYS HDy 1.0 . 4.11 1102 1005 A 55 ALA HA A 58 GLU HGy 1.0 . 3.78 1103 1005 A 55 ALA HA A 58 GLU HGx 1.0 . 3.78 1104 1006 A 57 ALA HB% A 58 GLU HGy 1.0 . 5.09 1105 1006 A 57 ALA HB% A 58 GLU HGx 1.0 . 5.09 1106 1007 A 57 ALA HB% A 58 GLU HGx 1.0 . 5.34 1107 1007 A 57 ALA HB% A 58 GLU HGy 1.0 . 5.34 1108 1008 A 58 GLU H A 58 GLU HGy 1.0 . 3.48 1109 1008 A 58 GLU H A 58 GLU HGx 1.0 . 3.48 1110 1009 A 58 GLU HA A 58 GLU HGy 1.0 . 3.48 1111 1009 A 58 GLU HA A 58 GLU HGx 1.0 . 3.48 1112 1010 A 59 THR H A 58 GLU HGy 1.0 . 4.78 1113 1010 A 59 THR H A 58 GLU HGx 1.0 . 4.78 1114 1011 A 59 THR HA A 62 GLU HGx 1.0 . 5.34 1115 1011 A 59 THR HA A 62 GLU HGy 1.0 . 5.34 1116 1012 A 60 ALA HB% A 61 GLN HGy 1.0 . 5.34 1117 1012 A 60 ALA HB% A 61 GLN HGx 1.0 . 5.34 1118 1013 A 61 GLN H A 61 GLN HGy 1.0 . 3.46 1119 1013 A 61 GLN H A 61 GLN HGx 1.0 . 3.46 1120 1014 A 61 GLN HA A 61 GLN HGy 1.0 . 3.55 1121 1014 A 61 GLN HA A 61 GLN HGx 1.0 . 3.55 1122 1015 A 65 ARG H A 65 ARG HBx 1.0 . 3.33 1123 1015 A 65 ARG H A 65 ARG HBy 1.0 . 3.33 1124 1016 A 65 ARG H A 65 ARG HGy 1.0 . 4.35 1125 1016 A 65 ARG H A 65 ARG HGx 1.0 . 4.35 1126 1017 A 65 ARG HBy A 65 ARG HDx 1.0 . 3.29 1127 1017 A 65 ARG HDy A 65 ARG HBx 1.0 . 3.29 1128 1017 A 65 ARG HBy A 65 ARG HDy 1.0 . 3.29 1129 1017 A 65 ARG HBx A 65 ARG HDx 1.0 . 3.29 1130 1018 A 66 SER H A 65 ARG HBx 1.0 . 3.86 1131 1018 A 66 SER H A 65 ARG HBy 1.0 . 3.86 1132 1019 A 66 SER H A 66 SER HBx 1.0 . 3.26 1133 1019 A 66 SER H A 66 SER HBy 1.0 . 3.26 1134 1020 A 71 ARG H A 71 ARG HBy 1.0 . 3.20 1135 1020 A 71 ARG H A 71 ARG HBx 1.0 . 3.20 1136 1021 A 72 ASP H A 71 ARG HBy 1.0 . 3.66 1137 1021 A 72 ASP H A 71 ARG HBx 1.0 . 3.66 1138 1022 A 72 ASP H A 72 ASP HBx 1.0 . 3.07 1139 1022 A 72 ASP H A 72 ASP HBy 1.0 . 3.07 1140 1023 A 73 LEU H A 73 LEU HBy 1.0 . 3.60 1141 1023 A 73 LEU H A 73 LEU HBx 1.0 . 3.60 1142 1024 A 73 LEU HD1% A 73 LEU HBx 1.0 . 3.06 1143 1024 A 73 LEU HD1% A 73 LEU HBy 1.0 . 3.06 1144 1025 A 73 LEU HD1% A 73 LEU HBy 1.0 . 2.60 1145 1025 A 73 LEU HD1% A 73 LEU HBx 1.0 . 2.60 1146 1026 A 73 LEU HD2% A 73 LEU HBy 1.0 . 3.22 1147 1026 A 73 LEU HD2% A 73 LEU HBx 1.0 . 3.22 1148 1027 A 74 ASP H A 73 LEU HBy 1.0 . 4.24 1149 1027 A 74 ASP H A 73 LEU HBx 1.0 . 4.24 1150 1028 A 74 ASP H A 74 ASP HBx 1.0 . 3.43 1151 1028 A 74 ASP H A 74 ASP HBy 1.0 . 3.43 1152 1029 A 75 THR H A 74 ASP HBx 1.0 . 4.23 1153 1029 A 75 THR H A 74 ASP HBy 1.0 . 4.23 1154 1030 A 75 THR HA A 76 PRO HBx 1.0 . 5.23 1155 1030 A 75 THR HA A 76 PRO HBy 1.0 . 5.23 1156 1031 A 75 THR HA A 76 PRO HDy 1.0 . 2.90 1157 1031 A 75 THR HA A 76 PRO HDx 1.0 . 2.90 1158 1032 A 77 ILE H A 76 PRO HBx 1.0 . 3.77 1159 1032 A 77 ILE H A 76 PRO HBy 1.0 . 3.77 1160 1033 A 77 ILE H A 76 PRO HGx 1.0 . 4.45 1161 1033 A 77 ILE H A 76 PRO HGy 1.0 . 4.45 1162 1034 A 78 ILE H A 78 ILE HG1y 1.0 . 3.77 1163 1034 A 78 ILE H A 78 ILE HG1x 1.0 . 3.77 1164 1035 A 78 ILE HB A 78 ILE HG1y 1.0 . 2.53 1165 1035 A 78 ILE HB A 78 ILE HG1x 1.0 . 2.53 1166 1036 A 78 ILE HD1% A 78 ILE HG1y 1.0 . 2.58 1167 1036 A 78 ILE HD1% A 78 ILE HG1x 1.0 . 2.58 1168 1037 A 88 THR H A 87 PRO HBx 1.0 . 3.88 1169 1037 A 88 THR H A 87 PRO HBy 1.0 . 3.88 1170 1038 A 102 SER HBy A 87 PRO HBx 1.0 . 4.22 1171 1038 A 102 SER HBy A 87 PRO HBy 1.0 . 4.22 1172 1039 A 90 THR HA A 91 GLY HAy 1.0 . 5.34 1173 1039 A 90 THR HA A 91 GLY HAx 1.0 . 5.34 1174 1040 A 93 PHE H A 93 PHE HBy 1.0 . 3.21 1175 1040 A 93 PHE H A 93 PHE HBx 1.0 . 3.21 1176 1041 A 94 MET H A 93 PHE HBy 1.0 . 3.45 1177 1041 A 94 MET H A 93 PHE HBx 1.0 . 3.45 1178 1042 A 95 ALA H A 93 PHE HBy 1.0 . 3.99 1179 1042 A 95 ALA H A 93 PHE HBx 1.0 . 3.99 1180 1043 A 94 MET H A 94 MET HGx 1.0 . 3.83 1181 1043 A 94 MET H A 94 MET HGy 1.0 . 3.83 1182 1044 A 95 ALA H A 94 MET HBx 1.0 . 3.81 1183 1044 A 95 ALA H A 94 MET HBy 1.0 . 3.81 1184 1045 A 95 ALA HB% A 94 MET HBy 1.0 . 3.79 1185 1045 A 95 ALA HB% A 94 MET HBx 1.0 . 3.79 1186 1046 A 95 ALA H A 94 MET HGx 1.0 . 4.45 1187 1046 A 95 ALA H A 94 MET HGy 1.0 . 4.45 1188 1047 A 95 ALA HB% A 94 MET HGy 1.0 . 4.92 1189 1047 A 95 ALA HB% A 94 MET HGx 1.0 . 4.92 1190 1048 A 99 LEU H A 98 PRO HBy 1.0 . 3.94 1191 1048 A 99 LEU H A 98 PRO HBx 1.0 . 3.94 1192 1049 A 99 LEU H A 99 LEU HBx 1.0 . 3.09 1193 1049 A 99 LEU H A 99 LEU HBy 1.0 . 3.09 1194 1050 A 101 TRP H A 101 TRP HBx 1.0 . 3.26 1195 1050 A 101 TRP H A 101 TRP HBy 1.0 . 3.26 1196 1051 A 102 SER H A 101 TRP HBx 1.0 . 3.62 1197 1051 A 102 SER H A 101 TRP HBy 1.0 . 3.62 1198 1052 A 103 ASP H A 101 TRP HBx 1.0 . 5.34 1199 1052 A 103 ASP H A 101 TRP HBy 1.0 . 5.34 1200 1053 A 103 ASP H A 103 ASP HBx 1.0 . 3.53 1201 1053 A 103 ASP H A 103 ASP HBy 1.0 . 3.53 1202 1054 A 104 ARG H A 104 ARG HGx 1.0 . 4.02 1203 1054 A 104 ARG H A 104 ARG HGy 1.0 . 4.02 1204 1055 A 105 LYS H A 105 LYS HBy 1.0 . 3.65 1205 1055 A 105 LYS H A 105 LYS HBx 1.0 . 3.65 1206 1056 A 105 LYS HBx A 105 LYS HEx 1.0 . 3.82 1207 1056 A 105 LYS HEy A 105 LYS HBy 1.0 . 3.82 1208 1056 A 105 LYS HBx A 105 LYS HEy 1.0 . 3.82 1209 1056 A 105 LYS HBy A 105 LYS HEx 1.0 . 3.82 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 ARG N A 2 ARG CA A 2 ARG CB A 2 ARG CG 1.0 -90.00 -30.00 CHI1 2 2 A 1 PRO C A 2 ARG N A 2 ARG CA A 2 ARG C 1.0 -121.29 -41.29 PHI 3 3 A 2 ARG N A 2 ARG CA A 2 ARG C A 3 LEU N 1.0 98.74 182.74 PSI 4 4 A 3 LEU N A 3 LEU CA A 3 LEU CB A 3 LEU CG 1.0 -90.00 -30.00 CHI1 5 5 A 2 ARG C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -163.64 -83.64 PHI 6 6 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 PHE N 1.0 98.03 182.03 PSI 7 7 A 4 PHE N A 4 PHE CA A 4 PHE CB A 4 PHE CG 1.0 -90.00 -30.00 CHI1 8 8 A 3 LEU C A 4 PHE N A 4 PHE CA A 4 PHE C 1.0 -164.31 -84.31 PHI 9 9 A 4 PHE N A 4 PHE CA A 4 PHE C A 5 GLU N 1.0 98.68 182.68 PSI 10 10 A 5 GLU N A 5 GLU CA A 5 GLU CB A 5 GLU CG 1.0 -90.00 -30.00 CHI1 11 11 A 4 PHE C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -168.89 -88.89 PHI 12 12 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 CYS N 1.0 88.09 172.09 PSI 13 13 A 6 CYS N A 6 CYS CA A 6 CYS CB A 6 CYS SG 1.0 -90.00 -30.00 CHI1 14 14 A 5 GLU C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -123.26 -63.26 PHI 15 15 A 6 CYS N A 6 CYS CA A 6 CYS C A 7 SER N 1.0 110.86 174.86 PSI 16 16 A 7 SER N A 7 SER CA A 7 SER CB A 7 SER OG 1.0 150.00 210.00 CHI1 17 17 A 6 CYS C A 7 SER N A 7 SER CA A 7 SER C 1.0 -136.16 -96.16 PHI 18 18 A 7 SER N A 7 SER CA A 7 SER C A 8 ASN N 1.0 111.31 155.31 PSI 19 19 A 8 ASN N A 8 ASN CA A 8 ASN CB A 8 ASN CG 1.0 30.00 90.00 CHI1 20 20 A 7 SER C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -106.15 -66.15 PHI 21 21 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 LYS N 1.0 147.65 191.65 PSI 22 22 A 9 LYS N A 9 LYS CA A 9 LYS CB A 9 LYS CG 1.0 -90.00 -30.00 CHI1 23 23 A 8 ASN C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -68.38 -48.38 PHI 24 24 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 THR N 1.0 -53.59 -16.59 PSI 25 25 A 10 THR N A 10 THR CA A 10 THR CB A 10 THR OG1 1.0 30.00 90.00 CHI1 26 26 A 9 LYS C A 10 THR N A 10 THR CA A 10 THR C 1.0 -131.84 -56.84 PHI 27 27 A 10 THR N A 10 THR CA A 10 THR C A 11 GLY N 1.0 -55.91 23.09 PSI 28 28 A 10 THR C A 11 GLY N A 11 GLY CA A 11 GLY C 1.0 -132.60 -57.60 PHI 29 29 A 11 GLY N A 11 GLY CA A 11 GLY C A 12 ARG N 1.0 -29.07 34.93 PSI 30 30 A 12 ARG N A 12 ARG CA A 12 ARG CB A 12 ARG CG 1.0 -90.00 -30.00 CHI1 31 31 A 11 GLY C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -161.72 -101.72 PHI 32 32 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 PHE N 1.0 119.07 183.07 PSI 33 33 A 13 PHE N A 13 PHE CA A 13 PHE CB A 13 PHE CG 1.0 150.00 210.00 CHI1 34 34 A 12 ARG C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -108.94 -48.94 PHI 35 35 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 LEU N 1.0 92.35 156.35 PSI 36 36 A 14 LEU N A 14 LEU CA A 14 LEU CB A 14 LEU CG 1.0 -90.00 -30.00 CHI1 37 37 A 13 PHE C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -154.36 -94.36 PHI 38 38 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 ALA N 1.0 109.27 173.27 PSI 39 39 A 15 ALA N A 15 ALA CA A 15 ALA CB A 15 ALA HB1 1.0 150.00 210.00 CHI1 40 40 A 14 LEU C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -144.07 -104.07 PHI 41 41 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 THR N 1.0 106.40 150.40 PSI 42 42 A 16 THR N A 16 THR CA A 16 THR CB A 16 THR OG1 1.0 -90.00 -30.00 CHI1 43 43 A 15 ALA C A 16 THR N A 16 THR CA A 16 THR C 1.0 -155.88 -95.88 PHI 44 44 A 16 THR N A 16 THR CA A 16 THR C A 17 GLU N 1.0 91.72 155.72 PSI 45 45 A 17 GLU N A 17 GLU CA A 17 GLU CB A 17 GLU CG 1.0 150.00 210.00 CHI1 46 46 A 16 THR C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -110.42 -50.42 PHI 47 47 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 ILE N 1.0 91.55 155.55 PSI 48 48 A 18 ILE N A 18 ILE CA A 18 ILE CB A 18 ILE CG1 1.0 -90.00 -30.00 CHI1 49 49 A 17 GLU C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -135.39 -75.39 PHI 50 50 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 VAL N 1.0 90.18 154.18 PSI 51 51 A 19 VAL N A 19 VAL CA A 19 VAL CB A 19 VAL CG1 1.0 150.00 210.00 CHI1 52 52 A 18 ILE C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -106.73 -46.73 PHI 53 53 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 ASP N 1.0 80.19 144.19 PSI 54 54 A 20 ASP N A 20 ASP CA A 20 ASP CB A 20 ASP CG 1.0 150.00 210.00 CHI1 55 55 A 19 VAL C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -102.46 -42.46 PHI 56 56 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 PHE N 1.0 96.71 160.71 PSI 57 57 A 21 PHE N A 21 PHE CA A 21 PHE CB A 21 PHE CG 1.0 -90.00 -30.00 CHI1 58 58 A 20 ASP C A 21 PHE N A 21 PHE CA A 21 PHE C 1.0 -116.65 -76.65 PHI 59 59 A 21 PHE N A 21 PHE CA A 21 PHE C A 22 THR N 1.0 132.21 176.21 PSI 60 60 A 22 THR N A 22 THR CA A 22 THR CB A 22 THR OG1 1.0 30.00 90.00 CHI1 61 61 A 21 PHE C A 22 THR N A 22 THR CA A 22 THR C 1.0 -101.84 -61.84 PHI 62 62 A 22 THR N A 22 THR CA A 22 THR C A 23 GLN N 1.0 142.14 186.14 PSI 63 63 A 23 GLN N A 23 GLN CA A 23 GLN CB A 23 GLN CG 1.0 -90.00 -30.00 CHI1 64 64 A 22 THR C A 23 GLN N A 23 GLN CA A 23 GLN C 1.0 -70.02 -50.02 PHI 65 65 A 23 GLN N A 23 GLN CA A 23 GLN C A 24 ASP N 1.0 -47.80 -25.80 PSI 66 66 A 24 ASP N A 24 ASP CA A 24 ASP CB A 24 ASP CG 1.0 -90.00 -30.00 CHI1 67 67 A 23 GLN C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -79.90 -59.90 PHI 68 68 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 ASP N 1.0 -46.91 -24.91 PSI 69 69 A 25 ASP N A 25 ASP CA A 25 ASP CB A 25 ASP CG 1.0 -90.00 -30.00 CHI1 70 70 A 24 ASP C A 25 ASP N A 25 ASP CA A 25 ASP C 1.0 -85.89 -65.89 PHI 71 71 A 25 ASP N A 25 ASP CA A 25 ASP C A 26 LEU N 1.0 -33.19 -11.19 PSI 72 72 A 26 LEU N A 26 LEU CA A 26 LEU CB A 26 LEU CG 1.0 150.00 210.00 CHI1 73 73 A 25 ASP C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -102.55 -62.55 PHI 74 74 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 ASP N 1.0 83.68 127.68 PSI 75 75 A 27 ASP N A 27 ASP CA A 27 ASP CB A 27 ASP CG 1.0 -90.00 -30.00 CHI1 76 76 A 26 LEU C A 27 ASP N A 27 ASP CA A 27 ASP C 1.0 -98.98 -38.98 PHI 77 77 A 27 ASP N A 27 ASP CA A 27 ASP C A 28 GLU N 1.0 109.11 173.11 PSI 78 78 A 28 GLU N A 28 GLU CA A 28 GLU CB A 28 GLU CG 1.0 -90.00 -30.00 CHI1 79 79 A 27 ASP C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -104.69 -44.69 PHI 80 80 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 ASN N 1.0 -65.16 -1.16 PSI 81 81 A 29 ASN N A 29 ASN CA A 29 ASN CB A 29 ASN CG 1.0 -90.00 -30.00 CHI1 82 82 A 28 GLU C A 29 ASN N A 29 ASN CA A 29 ASN C 1.0 -125.62 -65.62 PHI 83 83 A 29 ASN N A 29 ASN CA A 29 ASN C A 30 ASP N 1.0 102.05 166.05 PSI 84 84 A 30 ASP N A 30 ASP CA A 30 ASP CB A 30 ASP CG 1.0 -90.00 -30.00 CHI1 85 85 A 29 ASN C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -145.67 -105.67 PHI 86 86 A 30 ASP N A 30 ASP CA A 30 ASP C A 31 VAL N 1.0 120.42 164.42 PSI 87 87 A 31 VAL N A 31 VAL CA A 31 VAL CB A 31 VAL CG1 1.0 150.00 210.00 CHI1 88 88 A 30 ASP C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -143.25 -103.25 PHI 89 89 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 TYR N 1.0 107.79 151.79 PSI 90 90 A 32 TYR N A 32 TYR CA A 32 TYR CB A 32 TYR CG 1.0 -90.00 -30.00 CHI1 91 91 A 31 VAL C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -145.80 -105.80 PHI 92 92 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 LEU N 1.0 134.95 178.95 PSI 93 93 A 33 LEU N A 33 LEU CA A 33 LEU CB A 33 LEU CG 1.0 -90.00 -30.00 CHI1 94 94 A 32 TYR C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -142.09 -102.09 PHI 95 95 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 LEU N 1.0 112.80 156.80 PSI 96 96 A 34 LEU N A 34 LEU CA A 34 LEU CB A 34 LEU CG 1.0 150.00 210.00 CHI1 97 97 A 33 LEU C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -139.05 -99.05 PHI 98 98 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 ASP N 1.0 93.81 137.81 PSI 99 99 A 35 ASP N A 35 ASP CA A 35 ASP CB A 35 ASP CG 1.0 -90.00 -30.00 CHI1 100 100 A 34 LEU C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -118.10 -78.10 PHI 101 101 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 THR N 1.0 113.79 157.79 PSI 102 102 A 36 THR N A 36 THR CA A 36 THR CB A 36 THR OG1 1.0 30.00 90.00 CHI1 103 103 A 35 ASP C A 36 THR N A 36 THR CA A 36 THR C 1.0 -104.28 -64.28 PHI 104 104 A 36 THR N A 36 THR CA A 36 THR C A 37 TRP N 1.0 144.17 188.17 PSI 105 105 A 37 TRP N A 37 TRP CA A 37 TRP CB A 37 TRP CG 1.0 150.00 210.00 CHI1 106 106 A 36 THR C A 37 TRP N A 37 TRP CA A 37 TRP C 1.0 -65.35 -45.35 PHI 107 107 A 37 TRP N A 37 TRP CA A 37 TRP C A 38 ASP N 1.0 -57.46 -35.46 PSI 108 108 A 38 ASP N A 38 ASP CA A 38 ASP CB A 38 ASP CG 1.0 -90.00 -30.00 CHI1 109 109 A 37 TRP C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -83.43 -63.43 PHI 110 110 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 GLN N 1.0 -43.99 -21.99 PSI 111 111 A 39 GLN N A 39 GLN CA A 39 GLN CB A 39 GLN CG 1.0 150.00 210.00 CHI1 112 112 A 38 ASP C A 39 GLN N A 39 GLN CA A 39 GLN C 1.0 -184.32 -144.32 PHI 113 113 A 39 GLN N A 39 GLN CA A 39 GLN C A 40 ILE N 1.0 119.84 163.84 PSI 114 114 A 40 ILE N A 40 ILE CA A 40 ILE CB A 40 ILE CG1 1.0 -90.00 -30.00 CHI1 115 115 A 39 GLN C A 40 ILE N A 40 ILE CA A 40 ILE C 1.0 -122.35 -82.35 PHI 116 116 A 40 ILE N A 40 ILE CA A 40 ILE C A 41 PHE N 1.0 105.02 149.02 PSI 117 117 A 41 PHE N A 41 PHE CA A 41 PHE CB A 41 PHE CG 1.0 -90.00 -30.00 CHI1 118 118 A 40 ILE C A 41 PHE N A 41 PHE CA A 41 PHE C 1.0 -133.32 -73.32 PHI 119 119 A 41 PHE N A 41 PHE CA A 41 PHE C A 42 PHE N 1.0 96.23 160.23 PSI 120 120 A 42 PHE N A 42 PHE CA A 42 PHE CB A 42 PHE CG 1.0 -90.00 -30.00 CHI1 121 121 A 41 PHE C A 42 PHE N A 42 PHE CA A 42 PHE C 1.0 -131.72 -91.72 PHI 122 122 A 42 PHE N A 42 PHE CA A 42 PHE C A 43 TRP N 1.0 107.73 151.73 PSI 123 123 A 43 TRP N A 43 TRP CA A 43 TRP CB A 43 TRP CG 1.0 -90.00 -30.00 CHI1 124 124 A 42 PHE C A 43 TRP N A 43 TRP CA A 43 TRP C 1.0 -99.22 -39.22 PHI 125 125 A 43 TRP N A 43 TRP CA A 43 TRP C A 44 ILE N 1.0 105.21 169.21 PSI 126 126 A 44 ILE N A 44 ILE CA A 44 ILE CB A 44 ILE CG1 1.0 -90.00 -30.00 CHI1 127 127 A 43 TRP C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -160.21 -100.21 PHI 128 128 A 44 ILE N A 44 ILE CA A 44 ILE C A 45 GLY N 1.0 92.84 156.84 PSI 129 129 A 44 ILE C A 45 GLY N A 45 GLY CA A 45 GLY C 1.0 -97.25 -37.25 PHI 130 130 A 45 GLY N A 45 GLY CA A 45 GLY C A 46 LYS N 1.0 -160.38 -96.38 PSI 131 131 A 46 LYS N A 46 LYS CA A 46 LYS CB A 46 LYS CG 1.0 -90.00 -30.00 CHI1 132 132 A 45 GLY C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -91.70 -31.70 PHI 133 133 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 GLY N 1.0 -63.88 0.12 PSI 134 134 A 46 LYS C A 47 GLY N A 47 GLY CA A 47 GLY C 1.0 -122.09 -42.09 PHI 135 135 A 47 GLY N A 47 GLY CA A 47 GLY C A 48 ALA N 1.0 -53.16 30.84 PSI 136 136 A 48 ALA N A 48 ALA CA A 48 ALA CB A 48 ALA HB1 1.0 150.00 210.00 CHI1 137 137 A 47 GLY C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -118.52 -38.52 PHI 138 138 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 ASN N 1.0 103.10 187.10 PSI 139 139 A 49 ASN N A 49 ASN CA A 49 ASN CB A 49 ASN CG 1.0 -90.00 -30.00 CHI1 140 140 A 48 ALA C A 49 ASN N A 49 ASN CA A 49 ASN C 1.0 -113.92 -53.92 PHI 141 141 A 49 ASN N A 49 ASN CA A 49 ASN C A 50 GLU N 1.0 131.27 195.27 PSI 142 142 A 50 GLU N A 50 GLU CA A 50 GLU CB A 50 GLU CG 1.0 -90.00 -30.00 CHI1 143 143 A 49 ASN C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -71.70 -51.70 PHI 144 144 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 SER N 1.0 -46.97 -24.97 PSI 145 145 A 51 SER N A 51 SER CA A 51 SER CB A 51 SER OG 1.0 -90.00 -30.00 CHI1 146 146 A 50 GLU C A 51 SER N A 51 SER CA A 51 SER C 1.0 -73.86 -53.86 PHI 147 147 A 51 SER N A 51 SER CA A 51 SER C A 52 GLU N 1.0 -51.90 -29.90 PSI 148 148 A 52 GLU N A 52 GLU CA A 52 GLU CB A 52 GLU CG 1.0 -90.00 -30.00 CHI1 149 149 A 51 SER C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -76.00 -56.00 PHI 150 150 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 LYS N 1.0 -50.72 -28.72 PSI 151 151 A 53 LYS N A 53 LYS CA A 53 LYS CB A 53 LYS CG 1.0 150.00 210.00 CHI1 152 152 A 52 GLU C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -71.76 -51.76 PHI 153 153 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 GLU N 1.0 -53.30 -31.30 PSI 154 154 A 54 GLU N A 54 GLU CA A 54 GLU CB A 54 GLU CG 1.0 -90.00 -30.00 CHI1 155 155 A 53 LYS C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -73.02 -53.02 PHI 156 156 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 ALA N 1.0 -52.53 -30.53 PSI 157 157 A 55 ALA N A 55 ALA CA A 55 ALA CB A 55 ALA HB1 1.0 150.00 210.00 CHI1 158 158 A 54 GLU C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -76.76 -56.76 PHI 159 159 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 ALA N 1.0 -48.77 -26.77 PSI 160 160 A 56 ALA N A 56 ALA CA A 56 ALA CB A 56 ALA HB1 1.0 150.00 210.00 CHI1 161 161 A 55 ALA C A 56 ALA N A 56 ALA CA A 56 ALA C 1.0 -77.30 -57.30 PHI 162 162 A 56 ALA N A 56 ALA CA A 56 ALA C A 57 ALA N 1.0 -49.99 -27.99 PSI 163 163 A 57 ALA N A 57 ALA CA A 57 ALA CB A 57 ALA HB1 1.0 150.00 210.00 CHI1 164 164 A 56 ALA C A 57 ALA N A 57 ALA CA A 57 ALA C 1.0 -73.13 -53.13 PHI 165 165 A 57 ALA N A 57 ALA CA A 57 ALA C A 58 GLU N 1.0 -54.03 -32.03 PSI 166 166 A 58 GLU N A 58 GLU CA A 58 GLU CB A 58 GLU CG 1.0 -90.00 -30.00 CHI1 167 167 A 57 ALA C A 58 GLU N A 58 GLU CA A 58 GLU C 1.0 -75.77 -55.77 PHI 168 168 A 58 GLU N A 58 GLU CA A 58 GLU C A 59 THR N 1.0 -53.30 -31.30 PSI 169 169 A 59 THR N A 59 THR CA A 59 THR CB A 59 THR OG1 1.0 -90.00 -30.00 CHI1 170 170 A 58 GLU C A 59 THR N A 59 THR CA A 59 THR C 1.0 -72.61 -52.61 PHI 171 171 A 59 THR N A 59 THR CA A 59 THR C A 60 ALA N 1.0 -55.76 -33.76 PSI 172 172 A 60 ALA N A 60 ALA CA A 60 ALA CB A 60 ALA HB1 1.0 150.00 210.00 CHI1 173 173 A 59 THR C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -71.48 -51.48 PHI 174 174 A 60 ALA N A 60 ALA CA A 60 ALA C A 61 GLN N 1.0 -54.87 -32.87 PSI 175 175 A 61 GLN N A 61 GLN CA A 61 GLN CB A 61 GLN CG 1.0 -90.00 -30.00 CHI1 176 176 A 60 ALA C A 61 GLN N A 61 GLN CA A 61 GLN C 1.0 -72.32 -52.32 PHI 177 177 A 61 GLN N A 61 GLN CA A 61 GLN C A 62 GLU N 1.0 -53.14 -31.14 PSI 178 178 A 62 GLU N A 62 GLU CA A 62 GLU CB A 62 GLU CG 1.0 -90.00 -30.00 CHI1 179 179 A 61 GLN C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -78.74 -58.74 PHI 180 180 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 TYR N 1.0 -52.40 -30.40 PSI 181 181 A 63 TYR N A 63 TYR CA A 63 TYR CB A 63 TYR CG 1.0 150.00 210.00 CHI1 182 182 A 62 GLU C A 63 TYR N A 63 TYR CA A 63 TYR C 1.0 -72.06 -52.06 PHI 183 183 A 63 TYR N A 63 TYR CA A 63 TYR C A 64 LEU N 1.0 -54.56 -32.56 PSI 184 184 A 64 LEU N A 64 LEU CA A 64 LEU CB A 64 LEU CG 1.0 -90.00 -30.00 CHI1 185 185 A 63 TYR C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -74.81 -54.81 PHI 186 186 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 ARG N 1.0 -53.50 -31.50 PSI 187 187 A 65 ARG N A 65 ARG CA A 65 ARG CB A 65 ARG CG 1.0 -90.00 -30.00 CHI1 188 188 A 64 LEU C A 65 ARG N A 65 ARG CA A 65 ARG C 1.0 -89.03 -49.03 PHI 189 189 A 65 ARG N A 65 ARG CA A 65 ARG C A 66 SER N 1.0 -58.64 -16.64 PSI 190 190 A 66 SER N A 66 SER CA A 66 SER CB A 66 SER OG 1.0 30.00 90.00 CHI1 191 191 A 65 ARG C A 66 SER N A 66 SER CA A 66 SER C 1.0 -121.75 -41.75 PHI 192 192 A 66 SER N A 66 SER CA A 66 SER C A 67 HIS N 1.0 -65.67 18.33 PSI 193 193 A 67 HIS N A 67 HIS CA A 67 HIS CB A 67 HIS CG 1.0 -90.00 -30.00 CHI1 194 194 A 66 SER C A 67 HIS N A 67 HIS CA A 67 HIS C 1.0 -131.33 -51.33 PHI 195 195 A 67 HIS N A 67 HIS CA A 67 HIS C A 68 PRO N 1.0 93.85 177.85 PSI 196 196 A 67 HIS O A 67 HIS C A 68 PRO N A 68 PRO CD 1.0 170.00 190.00 OMEGA 197 197 A 68 PRO N A 68 PRO CA A 68 PRO C A 69 GLY N 1.0 -159.19 -75.19 PSI 198 198 A 68 PRO O A 68 PRO C A 69 GLY N A 69 GLY H 1.0 170.00 190.00 OMEGA 199 199 A 68 PRO C A 69 GLY N A 69 GLY CA A 69 GLY C 1.0 45.86 125.86 PHI 200 200 A 69 GLY N A 69 GLY CA A 69 GLY C A 70 SER N 1.0 -195.93 -111.93 PSI 201 201 A 70 SER N A 70 SER CA A 70 SER CB A 70 SER OG 1.0 -90.00 -30.00 CHI1 202 202 A 69 GLY O A 69 GLY C A 70 SER N A 70 SER H 1.0 170.00 190.00 OMEGA 203 203 A 69 GLY C A 70 SER N A 70 SER CA A 70 SER C 1.0 -103.63 -23.63 PHI 204 204 A 70 SER N A 70 SER CA A 70 SER C A 71 ARG N 1.0 -84.90 -0.90 PSI 205 205 A 71 ARG N A 71 ARG CA A 71 ARG CB A 71 ARG CG 1.0 -90.00 -30.00 CHI1 206 206 A 70 SER C A 71 ARG N A 71 ARG CA A 71 ARG C 1.0 -105.61 -25.61 PHI 207 207 A 71 ARG N A 71 ARG CA A 71 ARG C A 72 ASP N 1.0 -54.81 29.19 PSI 208 208 A 72 ASP N A 72 ASP CA A 72 ASP CB A 72 ASP CG 1.0 -90.00 -30.00 CHI1 209 209 A 71 ARG C A 72 ASP N A 72 ASP CA A 72 ASP C 1.0 -106.23 -26.23 PHI 210 210 A 72 ASP N A 72 ASP CA A 72 ASP C A 73 LEU N 1.0 -72.98 11.02 PSI 211 211 A 73 LEU N A 73 LEU CA A 73 LEU CB A 73 LEU CG 1.0 -90.00 -30.00 CHI1 212 212 A 72 ASP C A 73 LEU N A 73 LEU CA A 73 LEU C 1.0 -96.92 -36.92 PHI 213 213 A 73 LEU N A 73 LEU CA A 73 LEU C A 74 ASP N 1.0 -72.39 -8.39 PSI 214 214 A 74 ASP N A 74 ASP CA A 74 ASP CB A 74 ASP CG 1.0 -90.00 -30.00 CHI1 215 215 A 73 LEU C A 74 ASP N A 74 ASP CA A 74 ASP C 1.0 -126.59 -46.59 PHI 216 216 A 74 ASP N A 74 ASP CA A 74 ASP C A 75 THR N 1.0 -41.07 42.93 PSI 217 217 A 75 THR N A 75 THR CA A 75 THR CB A 75 THR OG1 1.0 -90.00 -30.00 CHI1 218 218 A 74 ASP C A 75 THR N A 75 THR CA A 75 THR C 1.0 -116.43 -36.43 PHI 219 219 A 75 THR N A 75 THR CA A 75 THR C A 76 PRO N 1.0 95.22 179.22 PSI 220 220 A 75 THR O A 75 THR C A 76 PRO N A 76 PRO CD 1.0 170.00 190.00 OMEGA 221 221 A 76 PRO N A 76 PRO CA A 76 PRO C A 77 ILE N 1.0 106.90 190.90 PSI 222 222 A 77 ILE N A 77 ILE CA A 77 ILE CB A 77 ILE CG1 1.0 -90.00 -30.00 CHI1 223 223 A 76 PRO C A 77 ILE N A 77 ILE CA A 77 ILE C 1.0 -133.65 -73.65 PHI 224 224 A 77 ILE N A 77 ILE CA A 77 ILE C A 78 ILE N 1.0 95.00 159.00 PSI 225 225 A 78 ILE N A 78 ILE CA A 78 ILE CB A 78 ILE CG1 1.0 -90.00 -30.00 CHI1 226 226 A 77 ILE C A 78 ILE N A 78 ILE CA A 78 ILE C 1.0 -146.34 -86.34 PHI 227 227 A 78 ILE N A 78 ILE CA A 78 ILE C A 79 VAL N 1.0 96.21 160.21 PSI 228 228 A 79 VAL N A 79 VAL CA A 79 VAL CB A 79 VAL CG1 1.0 150.00 210.00 CHI1 229 229 A 78 ILE C A 79 VAL N A 79 VAL CA A 79 VAL C 1.0 -102.02 -62.02 PHI 230 230 A 79 VAL N A 79 VAL CA A 79 VAL C A 80 VAL N 1.0 110.92 154.92 PSI 231 231 A 80 VAL N A 80 VAL CA A 80 VAL CB A 80 VAL CG1 1.0 150.00 210.00 CHI1 232 232 A 79 VAL C A 80 VAL N A 80 VAL CA A 80 VAL C 1.0 -155.60 -95.60 PHI 233 233 A 80 VAL N A 80 VAL CA A 80 VAL C A 81 LYS N 1.0 103.77 167.77 PSI 234 234 A 81 LYS N A 81 LYS CA A 81 LYS CB A 81 LYS CG 1.0 -90.00 -30.00 CHI1 235 235 A 80 VAL C A 81 LYS N A 81 LYS CA A 81 LYS C 1.0 -127.47 -67.47 PHI 236 236 A 81 LYS N A 81 LYS CA A 81 LYS C A 82 GLN N 1.0 102.85 166.85 PSI 237 237 A 82 GLN N A 82 GLN CA A 82 GLN CB A 82 GLN CG 1.0 150.00 210.00 CHI1 238 238 A 81 LYS C A 82 GLN N A 82 GLN CA A 82 GLN C 1.0 -101.46 -21.46 PHI 239 239 A 82 GLN N A 82 GLN CA A 82 GLN C A 83 GLY N 1.0 90.58 174.58 PSI 240 240 A 82 GLN C A 83 GLY N A 83 GLY CA A 83 GLY C 1.0 38.59 118.59 PHI 241 241 A 83 GLY N A 83 GLY CA A 83 GLY C A 84 PHE N 1.0 -62.12 21.88 PSI 242 242 A 84 PHE N A 84 PHE CA A 84 PHE CB A 84 PHE CG 1.0 -90.00 -30.00 CHI1 243 243 A 83 GLY C A 84 PHE N A 84 PHE CA A 84 PHE C 1.0 -154.78 -74.78 PHI 244 244 A 84 PHE N A 84 PHE CA A 84 PHE C A 85 GLU N 1.0 114.06 198.06 PSI 245 245 A 85 GLU N A 85 GLU CA A 85 GLU CB A 85 GLU CG 1.0 150.00 210.00 CHI1 246 246 A 84 PHE C A 85 GLU N A 85 GLU CA A 85 GLU C 1.0 -117.46 -37.46 PHI 247 247 A 85 GLU N A 85 GLU CA A 85 GLU C A 86 PRO N 1.0 92.76 176.76 PSI 248 248 A 86 PRO O A 86 PRO C A 87 PRO N A 87 PRO CD 1.0 170.00 190.00 OMEGA 249 249 A 87 PRO N A 87 PRO CA A 87 PRO C A 88 THR N 1.0 -57.45 6.55 PSI 250 250 A 88 THR N A 88 THR CA A 88 THR CB A 88 THR OG1 1.0 30.00 90.00 CHI1 251 251 A 87 PRO C A 88 THR N A 88 THR CA A 88 THR C 1.0 -89.21 -49.21 PHI 252 252 A 88 THR N A 88 THR CA A 88 THR C A 89 PHE N 1.0 -45.17 -3.17 PSI 253 253 A 89 PHE N A 89 PHE CA A 89 PHE CB A 89 PHE CG 1.0 150.00 210.00 CHI1 254 254 A 88 THR C A 89 PHE N A 89 PHE CA A 89 PHE C 1.0 -77.51 -57.51 PHI 255 255 A 89 PHE N A 89 PHE CA A 89 PHE C A 90 THR N 1.0 -55.43 -33.43 PSI 256 256 A 90 THR N A 90 THR CA A 90 THR CB A 90 THR OG1 1.0 -90.00 -30.00 CHI1 257 257 A 89 PHE C A 90 THR N A 90 THR CA A 90 THR C 1.0 -71.98 -51.98 PHI 258 258 A 90 THR N A 90 THR CA A 90 THR C A 91 GLY N 1.0 -54.53 -32.53 PSI 259 259 A 90 THR C A 91 GLY N A 91 GLY CA A 91 GLY C 1.0 -92.83 -32.83 PHI 260 260 A 91 GLY N A 91 GLY CA A 91 GLY C A 92 TRP N 1.0 -63.44 0.56 PSI 261 261 A 92 TRP N A 92 TRP CA A 92 TRP CB A 92 TRP CG 1.0 -90.00 -30.00 CHI1 262 262 A 91 GLY C A 92 TRP N A 92 TRP CA A 92 TRP C 1.0 -130.99 -50.99 PHI 263 263 A 92 TRP N A 92 TRP CA A 92 TRP C A 93 PHE N 1.0 -49.98 34.02 PSI 264 264 A 93 PHE N A 93 PHE CA A 93 PHE CB A 93 PHE CG 1.0 -90.00 -30.00 CHI1 265 265 A 92 TRP C A 93 PHE N A 93 PHE CA A 93 PHE C 1.0 -140.75 -60.75 PHI 266 266 A 93 PHE N A 93 PHE CA A 93 PHE C A 94 MET N 1.0 87.98 171.98 PSI 267 267 A 94 MET N A 94 MET CA A 94 MET CB A 94 MET CG 1.0 -90.00 -30.00 CHI1 268 268 A 93 PHE C A 94 MET N A 94 MET CA A 94 MET C 1.0 -100.72 -20.72 PHI 269 269 A 94 MET N A 94 MET CA A 94 MET C A 95 ALA N 1.0 -95.63 -11.63 PSI 270 270 A 95 ALA N A 95 ALA CA A 95 ALA CB A 95 ALA HB1 1.0 150.00 210.00 CHI1 271 271 A 94 MET C A 95 ALA N A 95 ALA CA A 95 ALA C 1.0 -115.29 -55.29 PHI 272 272 A 95 ALA N A 95 ALA CA A 95 ALA C A 96 TRP N 1.0 105.56 189.56 PSI 273 273 A 96 TRP N A 96 TRP CA A 96 TRP CB A 96 TRP CG 1.0 -90.00 -30.00 CHI1 274 274 A 95 ALA C A 96 TRP N A 96 TRP CA A 96 TRP C 1.0 -110.89 -20.89 PHI 275 275 A 96 TRP N A 96 TRP CA A 96 TRP C A 97 ASP N 1.0 98.19 162.19 PSI 276 276 A 97 ASP N A 97 ASP CA A 97 ASP CB A 97 ASP CG 1.0 150.00 210.00 CHI1 277 277 A 96 TRP C A 97 ASP N A 97 ASP CA A 97 ASP C 1.0 -156.10 -96.10 PHI 278 278 A 97 ASP N A 97 ASP CA A 97 ASP C A 98 PRO N 1.0 89.89 153.89 PSI 279 279 A 97 ASP O A 97 ASP C A 98 PRO N A 98 PRO CD 1.0 170.00 190.00 OMEGA 280 280 A 98 PRO N A 98 PRO CA A 98 PRO C A 99 LEU N 1.0 -45.89 -3.89 PSI 281 281 A 99 LEU N A 99 LEU CA A 99 LEU CB A 99 LEU CG 1.0 -90.00 -30.00 CHI1 282 282 A 98 PRO C A 99 LEU N A 99 LEU CA A 99 LEU C 1.0 -89.55 -49.55 PHI 283 283 A 99 LEU N A 99 LEU CA A 99 LEU C A 100 CYS N 1.0 -11.98 30.02 PSI 284 284 A 100 CYS N A 100 CYS CA A 100 CYS CB A 100 CYS SG 1.0 -90.00 -30.00 CHI1 285 285 A 99 LEU C A 100 CYS N A 100 CYS CA A 100 CYS C 1.0 -79.36 -39.36 PHI 286 286 A 100 CYS N A 100 CYS CA A 100 CYS C A 101 TRP N 1.0 -55.29 -13.29 PSI 287 287 A 101 TRP N A 101 TRP CA A 101 TRP CB A 101 TRP CG 1.0 -90.00 -30.00 CHI1 288 288 A 100 CYS C A 101 TRP N A 101 TRP CA A 101 TRP C 1.0 -104.86 -44.86 PHI 289 289 A 101 TRP N A 101 TRP CA A 101 TRP C A 102 SER N 1.0 -43.65 20.35 PSI 290 290 A 102 SER N A 102 SER CA A 102 SER CB A 102 SER OG 1.0 30.00 90.00 CHI1 291 291 A 101 TRP C A 102 SER N A 102 SER CA A 102 SER C 1.0 -124.02 -44.02 PHI 292 292 A 102 SER N A 102 SER CA A 102 SER C A 103 ASP N 1.0 -34.19 49.81 PSI 293 293 A 103 ASP N A 103 ASP CA A 103 ASP CB A 103 ASP CG 1.0 -90.00 -30.00 CHI1 294 294 A 102 SER C A 103 ASP N A 103 ASP CA A 103 ASP C 1.0 -103.84 -23.84 PHI 295 295 A 103 ASP N A 103 ASP CA A 103 ASP C A 104 ARG N 1.0 -75.15 8.85 PSI 296 296 A 104 ARG N A 104 ARG CA A 104 ARG CB A 104 ARG CG 1.0 -90.00 -30.00 CHI1 297 297 A 103 ASP C A 104 ARG N A 104 ARG CA A 104 ARG C 1.0 -112.19 -12.19 PHI 298 298 A 104 ARG N A 104 ARG CA A 104 ARG C A 105 LYS N 1.0 -91.52 12.48 PSI 299 299 A 105 LYS N A 105 LYS CA A 105 LYS CB A 105 LYS CG 1.0 -90.00 -30.00 CHI1 300 300 A 104 ARG C A 105 LYS N A 105 LYS CA A 105 LYS C 1.0 -126.75 -6.75 PHI 301 301 A 105 LYS N A 105 LYS CA A 105 LYS C A 106 SER N 1.0 -104.53 19.47 PSI 302 302 A 106 SER N A 106 SER CA A 106 SER CB A 106 SER OG 1.0 30.00 90.00 CHI1 303 303 A 105 LYS C A 106 SER N A 106 SER CA A 106 SER C 1.0 -130.05 -10.05 PHI 304 304 A 106 SER N A 106 SER CA A 106 SER C A 107 TYR N 1.0 90.29 214.29 PSI 305 305 A 1 PRO O A 1 PRO C A 2 ARG N A 2 ARG H 1.0 170.00 190.00 OMEGA 306 306 A 2 ARG O A 2 ARG C A 3 LEU N A 3 LEU H 1.0 170.00 190.00 OMEGA 307 307 A 3 LEU O A 3 LEU C A 4 PHE N A 4 PHE H 1.0 170.00 190.00 OMEGA 308 308 A 4 PHE O A 4 PHE C A 5 GLU N A 5 GLU H 1.0 170.00 190.00 OMEGA 309 309 A 5 GLU O A 5 GLU C A 6 CYS N A 6 CYS H 1.0 170.00 190.00 OMEGA 310 310 A 6 CYS O A 6 CYS C A 7 SER N A 7 SER H 1.0 170.00 190.00 OMEGA 311 311 A 7 SER O A 7 SER C A 8 ASN N A 8 ASN H 1.0 170.00 190.00 OMEGA 312 312 A 8 ASN O A 8 ASN C A 9 LYS N A 9 LYS H 1.0 170.00 190.00 OMEGA 313 313 A 9 LYS O A 9 LYS C A 10 THR N A 10 THR H 1.0 170.00 190.00 OMEGA 314 314 A 10 THR O A 10 THR C A 11 GLY N A 11 GLY H 1.0 170.00 190.00 OMEGA 315 315 A 11 GLY O A 11 GLY C A 12 ARG N A 12 ARG H 1.0 170.00 190.00 OMEGA 316 316 A 12 ARG O A 12 ARG C A 13 PHE N A 13 PHE H 1.0 170.00 190.00 OMEGA 317 317 A 13 PHE O A 13 PHE C A 14 LEU N A 14 LEU H 1.0 170.00 190.00 OMEGA 318 318 A 14 LEU O A 14 LEU C A 15 ALA N A 15 ALA H 1.0 170.00 190.00 OMEGA 319 319 A 15 ALA O A 15 ALA C A 16 THR N A 16 THR H 1.0 170.00 190.00 OMEGA 320 320 A 16 THR O A 16 THR C A 17 GLU N A 17 GLU H 1.0 170.00 190.00 OMEGA 321 321 A 17 GLU O A 17 GLU C A 18 ILE N A 18 ILE H 1.0 170.00 190.00 OMEGA 322 322 A 18 ILE O A 18 ILE C A 19 VAL N A 19 VAL H 1.0 170.00 190.00 OMEGA 323 323 A 19 VAL O A 19 VAL C A 20 ASP N A 20 ASP H 1.0 170.00 190.00 OMEGA 324 324 A 20 ASP O A 20 ASP C A 21 PHE N A 21 PHE H 1.0 170.00 190.00 OMEGA 325 325 A 21 PHE O A 21 PHE C A 22 THR N A 22 THR H 1.0 170.00 190.00 OMEGA 326 326 A 22 THR O A 22 THR C A 23 GLN N A 23 GLN H 1.0 170.00 190.00 OMEGA 327 327 A 23 GLN O A 23 GLN C A 24 ASP N A 24 ASP H 1.0 170.00 190.00 OMEGA 328 328 A 24 ASP O A 24 ASP C A 25 ASP N A 25 ASP H 1.0 170.00 190.00 OMEGA 329 329 A 25 ASP O A 25 ASP C A 26 LEU N A 26 LEU H 1.0 170.00 190.00 OMEGA 330 330 A 26 LEU O A 26 LEU C A 27 ASP N A 27 ASP H 1.0 170.00 190.00 OMEGA 331 331 A 27 ASP O A 27 ASP C A 28 GLU N A 28 GLU H 1.0 170.00 190.00 OMEGA 332 332 A 28 GLU O A 28 GLU C A 29 ASN N A 29 ASN H 1.0 170.00 190.00 OMEGA 333 333 A 29 ASN O A 29 ASN C A 30 ASP N A 30 ASP H 1.0 170.00 190.00 OMEGA 334 334 A 30 ASP O A 30 ASP C A 31 VAL N A 31 VAL H 1.0 170.00 190.00 OMEGA 335 335 A 31 VAL O A 31 VAL C A 32 TYR N A 32 TYR H 1.0 170.00 190.00 OMEGA 336 336 A 32 TYR O A 32 TYR C A 33 LEU N A 33 LEU H 1.0 170.00 190.00 OMEGA 337 337 A 33 LEU O A 33 LEU C A 34 LEU N A 34 LEU H 1.0 170.00 190.00 OMEGA 338 338 A 34 LEU O A 34 LEU C A 35 ASP N A 35 ASP H 1.0 170.00 190.00 OMEGA 339 339 A 35 ASP O A 35 ASP C A 36 THR N A 36 THR H 1.0 170.00 190.00 OMEGA 340 340 A 36 THR O A 36 THR C A 37 TRP N A 37 TRP H 1.0 170.00 190.00 OMEGA 341 341 A 37 TRP O A 37 TRP C A 38 ASP N A 38 ASP H 1.0 170.00 190.00 OMEGA 342 342 A 38 ASP O A 38 ASP C A 39 GLN N A 39 GLN H 1.0 170.00 190.00 OMEGA 343 343 A 39 GLN O A 39 GLN C A 40 ILE N A 40 ILE H 1.0 170.00 190.00 OMEGA 344 344 A 40 ILE O A 40 ILE C A 41 PHE N A 41 PHE H 1.0 170.00 190.00 OMEGA 345 345 A 41 PHE O A 41 PHE C A 42 PHE N A 42 PHE H 1.0 170.00 190.00 OMEGA 346 346 A 42 PHE O A 42 PHE C A 43 TRP N A 43 TRP H 1.0 170.00 190.00 OMEGA 347 347 A 43 TRP O A 43 TRP C A 44 ILE N A 44 ILE H 1.0 170.00 190.00 OMEGA 348 348 A 44 ILE O A 44 ILE C A 45 GLY N A 45 GLY H 1.0 170.00 190.00 OMEGA 349 349 A 45 GLY O A 45 GLY C A 46 LYS N A 46 LYS H 1.0 170.00 190.00 OMEGA 350 350 A 46 LYS O A 46 LYS C A 47 GLY N A 47 GLY H 1.0 170.00 190.00 OMEGA 351 351 A 47 GLY O A 47 GLY C A 48 ALA N A 48 ALA H 1.0 170.00 190.00 OMEGA 352 352 A 48 ALA O A 48 ALA C A 49 ASN N A 49 ASN H 1.0 170.00 190.00 OMEGA 353 353 A 49 ASN O A 49 ASN C A 50 GLU N A 50 GLU H 1.0 170.00 190.00 OMEGA 354 354 A 50 GLU O A 50 GLU C A 51 SER N A 51 SER H 1.0 170.00 190.00 OMEGA 355 355 A 51 SER O A 51 SER C A 52 GLU N A 52 GLU H 1.0 170.00 190.00 OMEGA 356 356 A 52 GLU O A 52 GLU C A 53 LYS N A 53 LYS H 1.0 170.00 190.00 OMEGA 357 357 A 53 LYS O A 53 LYS C A 54 GLU N A 54 GLU H 1.0 170.00 190.00 OMEGA 358 358 A 54 GLU O A 54 GLU C A 55 ALA N A 55 ALA H 1.0 170.00 190.00 OMEGA 359 359 A 55 ALA O A 55 ALA C A 56 ALA N A 56 ALA H 1.0 170.00 190.00 OMEGA 360 360 A 56 ALA O A 56 ALA C A 57 ALA N A 57 ALA H 1.0 170.00 190.00 OMEGA 361 361 A 57 ALA O A 57 ALA C A 58 GLU N A 58 GLU H 1.0 170.00 190.00 OMEGA 362 362 A 58 GLU O A 58 GLU C A 59 THR N A 59 THR H 1.0 170.00 190.00 OMEGA 363 363 A 59 THR O A 59 THR C A 60 ALA N A 60 ALA H 1.0 170.00 190.00 OMEGA 364 364 A 60 ALA O A 60 ALA C A 61 GLN N A 61 GLN H 1.0 170.00 190.00 OMEGA 365 365 A 61 GLN O A 61 GLN C A 62 GLU N A 62 GLU H 1.0 170.00 190.00 OMEGA 366 366 A 62 GLU O A 62 GLU C A 63 TYR N A 63 TYR H 1.0 170.00 190.00 OMEGA 367 367 A 63 TYR O A 63 TYR C A 64 LEU N A 64 LEU H 1.0 170.00 190.00 OMEGA 368 368 A 64 LEU O A 64 LEU C A 65 ARG N A 65 ARG H 1.0 170.00 190.00 OMEGA 369 369 A 65 ARG O A 65 ARG C A 66 SER N A 66 SER H 1.0 170.00 190.00 OMEGA 370 370 A 66 SER O A 66 SER C A 67 HIS N A 67 HIS H 1.0 170.00 190.00 OMEGA 371 371 A 70 SER O A 70 SER C A 71 ARG N A 71 ARG H 1.0 170.00 190.00 OMEGA 372 372 A 71 ARG O A 71 ARG C A 72 ASP N A 72 ASP H 1.0 170.00 190.00 OMEGA 373 373 A 72 ASP O A 72 ASP C A 73 LEU N A 73 LEU H 1.0 170.00 190.00 OMEGA 374 374 A 73 LEU O A 73 LEU C A 74 ASP N A 74 ASP H 1.0 170.00 190.00 OMEGA 375 375 A 74 ASP O A 74 ASP C A 75 THR N A 75 THR H 1.0 170.00 190.00 OMEGA 376 376 A 76 PRO O A 76 PRO C A 77 ILE N A 77 ILE H 1.0 170.00 190.00 OMEGA 377 377 A 77 ILE O A 77 ILE C A 78 ILE N A 78 ILE H 1.0 170.00 190.00 OMEGA 378 378 A 78 ILE O A 78 ILE C A 79 VAL N A 79 VAL H 1.0 170.00 190.00 OMEGA 379 379 A 79 VAL O A 79 VAL C A 80 VAL N A 80 VAL H 1.0 170.00 190.00 OMEGA 380 380 A 80 VAL O A 80 VAL C A 81 LYS N A 81 LYS H 1.0 170.00 190.00 OMEGA 381 381 A 81 LYS O A 81 LYS C A 82 GLN N A 82 GLN H 1.0 170.00 190.00 OMEGA 382 382 A 82 GLN O A 82 GLN C A 83 GLY N A 83 GLY H 1.0 170.00 190.00 OMEGA 383 383 A 83 GLY O A 83 GLY C A 84 PHE N A 84 PHE H 1.0 170.00 190.00 OMEGA 384 384 A 84 PHE O A 84 PHE C A 85 GLU N A 85 GLU H 1.0 170.00 190.00 OMEGA 385 385 A 87 PRO O A 87 PRO C A 88 THR N A 88 THR H 1.0 170.00 190.00 OMEGA 386 386 A 88 THR O A 88 THR C A 89 PHE N A 89 PHE H 1.0 170.00 190.00 OMEGA 387 387 A 89 PHE O A 89 PHE C A 90 THR N A 90 THR H 1.0 170.00 190.00 OMEGA 388 388 A 90 THR O A 90 THR C A 91 GLY N A 91 GLY H 1.0 170.00 190.00 OMEGA 389 389 A 91 GLY O A 91 GLY C A 92 TRP N A 92 TRP H 1.0 170.00 190.00 OMEGA 390 390 A 92 TRP O A 92 TRP C A 93 PHE N A 93 PHE H 1.0 170.00 190.00 OMEGA 391 391 A 93 PHE O A 93 PHE C A 94 MET N A 94 MET H 1.0 170.00 190.00 OMEGA 392 392 A 94 MET O A 94 MET C A 95 ALA N A 95 ALA H 1.0 170.00 190.00 OMEGA 393 393 A 95 ALA O A 95 ALA C A 96 TRP N A 96 TRP H 1.0 170.00 190.00 OMEGA 394 394 A 96 TRP O A 96 TRP C A 97 ASP N A 97 ASP H 1.0 170.00 190.00 OMEGA 395 395 A 98 PRO O A 98 PRO C A 99 LEU N A 99 LEU H 1.0 170.00 190.00 OMEGA 396 396 A 99 LEU O A 99 LEU C A 100 CYS N A 100 CYS H 1.0 170.00 190.00 OMEGA 397 397 A 100 CYS O A 100 CYS C A 101 TRP N A 101 TRP H 1.0 170.00 190.00 OMEGA 398 398 A 101 TRP O A 101 TRP C A 102 SER N A 102 SER H 1.0 170.00 190.00 OMEGA 399 399 A 102 SER O A 102 SER C A 103 ASP N A 103 ASP H 1.0 170.00 190.00 OMEGA 400 400 A 103 ASP O A 103 ASP C A 104 ARG N A 104 ARG H 1.0 170.00 190.00 OMEGA 401 401 A 104 ARG O A 104 ARG C A 105 LYS N A 105 LYS H 1.0 170.00 190.00 OMEGA 402 402 A 105 LYS O A 105 LYS C A 106 SER N A 106 SER H 1.0 170.00 190.00 OMEGA stop_ save_