data_nef_c17827_2lgx 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 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 -6 GLY start . false 2 A -5 ALA middle . . 3 A -4 MET middle . . 4 A -3 PRO middle . false 5 A -2 ASP middle . . 6 A -1 GLU middle . . 7 A 0 PHE middle . . 8 A 1 MET middle . . 9 A 2 ALA middle . . 10 A 3 LEU middle . . 11 A 4 ASP middle . . 12 A 5 GLY middle . false 13 A 6 ILE middle . . 14 A 7 ARG middle . . 15 A 8 MET middle . . 16 A 9 PRO middle . false 17 A 10 ASP middle . . 18 A 11 GLY middle . false 19 A 12 CYS middle . . 20 A 13 TYR middle . . 21 A 14 ALA middle . . 22 A 15 ASP middle . . 23 A 16 GLY middle . false 24 A 17 THR middle . . 25 A 18 TRP middle . . 26 A 19 GLU middle . . 27 A 20 LEU middle . . 28 A 21 SER middle . . 29 A 22 VAL middle . . 30 A 23 HIS middle . . 31 A 24 VAL middle . . 32 A 25 THR middle . . 33 A 26 ASP middle . . 34 A 27 VAL middle . . 35 A 28 ASN middle . . 36 A 29 ARG middle . . 37 A 30 ASP middle . . 38 A 31 VAL middle . . 39 A 32 THR middle . . 40 A 33 LEU middle . . 41 A 34 ARG middle . . 42 A 35 VAL middle . . 43 A 36 THR middle . . 44 A 37 GLY middle . false 45 A 38 GLU middle . . 46 A 39 VAL middle . . 47 A 40 HIS middle . . 48 A 41 ILE middle . . 49 A 42 GLY middle . false 50 A 43 GLY middle . false 51 A 44 VAL middle . . 52 A 45 MET middle . . 53 A 46 LEU middle . . 54 A 47 LYS middle . . 55 A 48 LEU middle . . 56 A 49 VAL middle . . 57 A 50 GLU middle . . 58 A 51 LYS middle . . 59 A 52 LEU middle . . 60 A 53 ASP middle . . 61 A 54 VAL middle . . 62 A 55 LYS middle . . 63 A 56 LYS middle . . 64 A 57 ASP middle . . 65 A 58 TRP middle . . 66 A 59 SER middle . . 67 A 60 ASP middle . . 68 A 61 HIS middle . . 69 A 62 ALA middle . . 70 A 63 LEU middle . . 71 A 64 TRP middle . . 72 A 65 TRP middle . . 73 A 66 GLU middle . . 74 A 67 LYS middle . . 75 A 68 LYS middle . . 76 A 69 ARG middle . . 77 A 70 THR middle . . 78 A 71 TRP middle . . 79 A 72 LEU middle . . 80 A 73 LEU middle . . 81 A 74 LYS middle . . 82 A 75 THR middle . . 83 A 76 HIS middle . . 84 A 77 TRP middle . . 85 A 78 THR middle . . 86 A 79 LEU middle . . 87 A 80 ASP middle . . 88 A 81 LYS middle . . 89 A 82 TYR middle . . 90 A 83 GLY middle . false 91 A 84 ILE middle . . 92 A 85 GLN middle . . 93 A 86 ALA middle . . 94 A 87 ASP middle . . 95 A 88 ALA middle . . 96 A 89 LYS middle . . 97 A 90 LEU middle . . 98 A 91 GLN middle . . 99 A 92 PHE middle . . 100 A 93 THR middle . . 101 A 94 PRO middle . false 102 A 95 GLN middle . . 103 A 96 HIS middle . . 104 A 97 LYS middle . . 105 A 98 LEU middle . . 106 A 99 LEU middle . . 107 A 100 ARG middle . . 108 A 101 LEU middle . . 109 A 102 GLN middle . . 110 A 103 LEU middle . . 111 A 104 PRO middle . false 112 A 105 ASN 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 MET H H 1 7.950 0.03 A 1 MET HA H 1 4.280 0.03 A 1 MET HB2 H 1 1.950 0.03 A 1 MET HB3 H 1 1.860 0.03 A 1 MET HG2 H 1 2.430 0.03 A 1 MET HG3 H 1 2.370 0.03 A 1 MET C C 13 175.284 0.50 A 1 MET CA C 13 55.330 0.50 A 1 MET CB C 13 32.780 0.50 A 1 MET CG C 13 31.750 0.50 A 1 MET N N 15 121.498 0.25 A 2 ALA H H 1 8.018 0.03 A 2 ALA HA H 1 4.210 0.03 A 2 ALA HB% H 1 1.320 0.03 A 2 ALA C C 13 177.598 0.50 A 2 ALA CA C 13 52.440 0.50 A 2 ALA CB C 13 19.030 0.50 A 2 ALA N N 15 124.336 0.25 A 3 LEU H H 1 8.057 0.03 A 3 LEU HA H 1 4.210 0.03 A 3 LEU HB2 H 1 1.580 0.03 A 3 LEU HB3 H 1 1.510 0.03 A 3 LEU HD1% H 1 0.850 0.03 A 3 LEU HD2% H 1 0.780 0.03 A 3 LEU HG H 1 1.445 0.03 A 3 LEU C C 13 177.094 0.50 A 3 LEU CA C 13 55.320 0.50 A 3 LEU CB C 13 42.170 0.50 A 3 LEU CD1 C 13 24.480 0.50 A 3 LEU CD2 C 13 23.480 0.50 A 3 LEU CG C 13 26.720 0.50 A 3 LEU N N 15 121.125 0.25 A 4 ASP H H 1 8.145 0.03 A 4 ASP HA H 1 4.475 0.03 A 4 ASP HB2 H 1 2.590 0.03 A 4 ASP C C 13 176.509 0.50 A 4 ASP CA C 13 54.550 0.50 A 4 ASP CB C 13 40.950 0.50 A 4 ASP N N 15 119.766 0.25 A 5 GLY H H 1 8.110 0.03 A 5 GLY HA2 H 1 3.870 0.03 A 5 GLY C C 13 173.692 0.50 A 5 GLY CA C 13 45.310 0.50 A 5 GLY N N 15 108.440 0.25 A 6 ILE H H 1 7.790 0.03 A 6 ILE HA H 1 4.100 0.03 A 6 ILE HB H 1 1.810 0.03 A 6 ILE HD1% H 1 0.770 0.03 A 6 ILE HG12 H 1 1.380 0.03 A 6 ILE HG13 H 1 1.090 0.03 A 6 ILE HG2% H 1 0.820 0.03 A 6 ILE C C 13 175.525 0.50 A 6 ILE CA C 13 60.710 0.50 A 6 ILE CB C 13 38.430 0.50 A 6 ILE CD1 C 13 13.140 0.50 A 6 ILE CG1 C 13 26.900 0.50 A 6 ILE CG2 C 13 17.330 0.50 A 6 ILE N N 15 119.766 0.25 A 7 ARG H H 1 8.410 0.03 A 7 ARG HA H 1 4.210 0.03 A 7 ARG HB2 H 1 1.580 0.03 A 7 ARG HB3 H 1 1.650 0.03 A 7 ARG HD2 H 1 2.987 0.03 A 7 ARG HG2 H 1 1.380 0.03 A 7 ARG C C 13 175.810 0.50 A 7 ARG CA C 13 55.640 0.50 A 7 ARG CB C 13 30.990 0.50 A 7 ARG CD C 13 43.000 0.50 A 7 ARG CG C 13 26.810 0.50 A 7 ARG N N 15 125.657 0.25 A 8 MET H H 1 8.495 0.03 A 8 MET HA H 1 4.210 0.03 A 8 MET HB2 H 1 1.990 0.03 A 8 MET HG2 H 1 2.580 0.03 A 8 MET HG3 H 1 2.440 0.03 A 8 MET C C 13 174.950 0.50 A 8 MET CA C 13 55.330 0.50 A 8 MET CB C 13 31.730 0.50 A 8 MET CG C 13 32.160 0.50 A 8 MET N N 15 123.598 0.25 A 9 PRO HA H 1 4.290 0.03 A 9 PRO HB2 H 1 2.210 0.03 A 9 PRO HB3 H 1 1.810 0.03 A 9 PRO HD2 H 1 3.750 0.03 A 9 PRO HG2 H 1 1.950 0.03 A 9 PRO C C 13 176.228 0.50 A 9 PRO CA C 13 63.370 0.50 A 9 PRO CB C 13 31.820 0.50 A 9 PRO CD C 13 50.300 0.50 A 9 PRO CG C 13 27.270 0.50 A 10 ASP H H 1 8.076 0.03 A 10 ASP HA H 1 4.420 0.03 A 10 ASP HB2 H 1 2.680 0.03 A 10 ASP C C 13 176.714 0.50 A 10 ASP CA C 13 54.130 0.50 A 10 ASP CB C 13 40.430 0.50 A 10 ASP N N 15 117.952 0.25 A 11 GLY H H 1 8.255 0.03 A 11 GLY HA2 H 1 4.005 0.03 A 11 GLY HA3 H 1 3.670 0.03 A 11 GLY C C 13 173.819 0.50 A 11 GLY CA C 13 45.300 0.50 A 11 GLY N N 15 108.663 0.25 A 12 CYS H H 1 7.850 0.03 A 12 CYS HA H 1 4.550 0.03 A 12 CYS HB2 H 1 2.850 0.03 A 12 CYS C C 13 174.073 0.50 A 12 CYS CA C 13 58.420 0.50 A 12 CYS CB C 13 28.400 0.50 A 12 CYS N N 15 118.179 0.25 A 13 TYR H H 1 8.550 0.03 A 13 TYR HA H 1 4.550 0.03 A 13 TYR HB2 H 1 3.050 0.03 A 13 TYR HB3 H 1 2.890 0.03 A 13 TYR C C 13 176.748 0.50 A 13 TYR CA C 13 58.470 0.50 A 13 TYR CB C 13 39.210 0.50 A 13 TYR N N 15 120.897 0.25 A 14 ALA H H 1 8.615 0.03 A 14 ALA HA H 1 4.190 0.03 A 14 ALA HB% H 1 1.380 0.03 A 14 ALA C C 13 177.181 0.50 A 14 ALA CA C 13 53.530 0.50 A 14 ALA CB C 13 18.630 0.50 A 14 ALA N N 15 124.750 0.25 A 15 ASP H H 1 7.960 0.03 A 15 ASP HA H 1 4.480 0.03 A 15 ASP HB2 H 1 2.870 0.03 A 15 ASP HB3 H 1 2.580 0.03 A 15 ASP C C 13 176.708 0.50 A 15 ASP CA C 13 53.500 0.50 A 15 ASP CB C 13 40.730 0.50 A 15 ASP N N 15 117.500 0.25 A 16 GLY H H 1 8.344 0.03 A 16 GLY HA2 H 1 4.200 0.03 A 16 GLY HA3 H 1 3.870 0.03 A 16 GLY C C 13 174.373 0.50 A 16 GLY CA C 13 45.370 0.50 A 16 GLY N N 15 108.891 0.25 A 17 THR H H 1 7.850 0.03 A 17 THR HA H 1 4.640 0.03 A 17 THR HB H 1 3.945 0.03 A 17 THR HG2% H 1 0.880 0.03 A 17 THR C C 13 173.620 0.50 A 17 THR CA C 13 60.540 0.50 A 17 THR CB C 13 72.100 0.50 A 17 THR CG2 C 13 21.300 0.50 A 17 THR N N 15 110.929 0.25 A 18 TRP H H 1 8.640 0.03 A 18 TRP HA H 1 4.945 0.03 A 18 TRP HB2 H 1 3.400 0.03 A 18 TRP HB3 H 1 3.275 0.03 A 18 TRP HD1 H 1 7.214 0.03 A 18 TRP HE1 H 1 9.800 0.03 A 18 TRP HZ2 H 1 7.018 0.03 A 18 TRP C C 13 174.164 0.50 A 18 TRP CA C 13 54.620 0.50 A 18 TRP CB C 13 30.650 0.50 A 18 TRP N N 15 117.728 0.25 A 18 TRP NE1 N 15 128.375 0.25 A 19 GLU H H 1 8.744 0.03 A 19 GLU HA H 1 4.851 0.03 A 19 GLU HB2 H 1 1.990 0.03 A 19 GLU HB3 H 1 1.770 0.03 A 19 GLU HG2 H 1 2.280 0.03 A 19 GLU HG3 H 1 1.935 0.03 A 19 GLU C C 13 174.786 0.50 A 19 GLU CA C 13 55.710 0.50 A 19 GLU CB C 13 31.500 0.50 A 19 GLU CG C 13 37.530 0.50 A 19 GLU N N 15 117.728 0.25 A 20 LEU H H 1 8.980 0.03 A 20 LEU HA H 1 4.880 0.03 A 20 LEU HB2 H 1 1.527 0.03 A 20 LEU HB3 H 1 1.370 0.03 A 20 LEU HD1% H 1 0.800 0.03 A 20 LEU HD2% H 1 0.540 0.03 A 20 LEU HG H 1 1.230 0.03 A 20 LEU C C 13 175.123 0.50 A 20 LEU CA C 13 53.252 0.50 A 20 LEU CB C 13 45.280 0.50 A 20 LEU CD1 C 13 23.710 0.50 A 20 LEU CD2 C 13 26.690 0.50 A 20 LEU CG C 13 26.970 0.50 A 20 LEU N N 15 126.668 0.25 A 21 SER H H 1 8.785 0.03 A 21 SER HA H 1 4.894 0.03 A 21 SER HB2 H 1 3.790 0.03 A 21 SER C C 13 173.483 0.50 A 21 SER CA C 13 57.880 0.50 A 21 SER CB C 13 63.920 0.50 A 21 SER N N 15 121.804 0.25 A 22 VAL H H 1 8.865 0.03 A 22 VAL HA H 1 4.370 0.03 A 22 VAL HB H 1 1.720 0.03 A 22 VAL HG1% H 1 0.650 0.03 A 22 VAL HG2% H 1 0.540 0.03 A 22 VAL C C 13 173.953 0.50 A 22 VAL CA C 13 60.440 0.50 A 22 VAL CB C 13 34.350 0.50 A 22 VAL CG1 C 13 22.920 0.50 A 22 VAL CG2 C 13 20.180 0.50 A 22 VAL N N 15 125.881 0.25 A 23 HIS H H 1 8.810 0.03 A 23 HIS HA H 1 5.220 0.03 A 23 HIS HB2 H 1 3.220 0.03 A 23 HIS HB3 H 1 3.140 0.03 A 23 HIS C C 13 174.596 0.50 A 23 HIS CA C 13 55.250 0.50 A 23 HIS CB C 13 30.550 0.50 A 23 HIS N N 15 126.560 0.25 A 24 VAL H H 1 9.043 0.03 A 24 VAL HA H 1 5.230 0.03 A 24 VAL HB H 1 2.170 0.03 A 24 VAL HG1% H 1 1.280 0.03 A 24 VAL HG2% H 1 0.950 0.03 A 24 VAL C C 13 177.426 0.50 A 24 VAL CA C 13 55.530 0.50 A 24 VAL CB C 13 31.040 0.50 A 24 VAL CG1 C 13 22.350 0.50 A 24 VAL CG2 C 13 20.830 0.50 A 24 VAL N N 15 130.587 0.25 A 25 THR H H 1 8.245 0.03 A 25 THR HA H 1 3.970 0.03 A 25 THR HB H 1 4.335 0.03 A 25 THR HG2% H 1 1.430 0.03 A 25 THR C C 13 177.437 0.50 A 25 THR CA C 13 66.470 0.50 A 25 THR CB C 13 68.220 0.50 A 25 THR CG2 C 13 22.320 0.50 A 25 THR N N 15 122.484 0.25 A 27 VAL H H 1 6.977 0.03 A 27 VAL HA H 1 4.500 0.03 A 27 VAL HB H 1 1.692 0.03 A 27 VAL HG1% H 1 1.015 0.03 A 27 VAL HG2% H 1 0.930 0.03 A 27 VAL CA C 13 54.220 0.50 A 27 VAL CB C 13 27.060 0.50 A 27 VAL CG1 C 13 25.700 0.50 A 27 VAL CG2 C 13 22.400 0.50 A 27 VAL N N 15 114.090 0.25 A 28 ASN H H 1 7.897 0.03 A 28 ASN HA H 1 4.299 0.03 A 28 ASN HB2 H 1 3.273 0.03 A 28 ASN HB3 H 1 2.630 0.03 A 28 ASN CA C 13 53.650 0.50 A 28 ASN CB C 13 37.110 0.50 A 28 ASN N N 15 116.829 0.25 A 29 ARG H H 1 6.787 0.03 A 29 ARG HA H 1 4.700 0.03 A 29 ARG HB2 H 1 1.570 0.03 A 29 ARG HB3 H 1 1.510 0.03 A 29 ARG HD2 H 1 3.055 0.03 A 29 ARG HG2 H 1 1.520 0.03 A 29 ARG HG3 H 1 1.445 0.03 A 29 ARG C C 13 173.347 0.50 A 29 ARG CA C 13 54.900 0.50 A 29 ARG CB C 13 34.700 0.50 A 29 ARG CD C 13 43.270 0.50 A 29 ARG CG C 13 26.200 0.50 A 29 ARG N N 15 114.310 0.25 A 30 ASP H H 1 8.760 0.03 A 30 ASP HA H 1 5.475 0.03 A 30 ASP HB2 H 1 2.488 0.03 A 30 ASP C C 13 175.354 0.50 A 30 ASP CA C 13 53.660 0.50 A 30 ASP CB C 13 42.260 0.50 A 30 ASP N N 15 124.071 0.25 A 31 VAL H H 1 9.187 0.03 A 31 VAL HA H 1 4.270 0.03 A 31 VAL HB H 1 1.700 0.03 A 31 VAL HG1% H 1 0.640 0.03 A 31 VAL C C 13 174.203 0.50 A 31 VAL CA C 13 60.700 0.50 A 31 VAL CB C 13 34.620 0.50 A 31 VAL CG1 C 13 20.590 0.50 A 31 VAL N N 15 123.300 0.25 A 32 THR H H 1 8.360 0.03 A 32 THR HA H 1 5.095 0.03 A 32 THR HB H 1 3.840 0.03 A 32 THR HG2% H 1 1.015 0.03 A 32 THR C C 13 173.547 0.50 A 32 THR CA C 13 60.550 0.50 A 32 THR CB C 13 70.170 0.50 A 32 THR CG2 C 13 21.630 0.50 A 32 THR N N 15 119.766 0.25 A 33 LEU H H 1 8.750 0.03 A 33 LEU HA H 1 4.590 0.03 A 33 LEU HB2 H 1 1.135 0.03 A 33 LEU HB3 H 1 1.370 0.03 A 33 LEU HD1% H 1 0.560 0.03 A 33 LEU HD2% H 1 0.570 0.03 A 33 LEU C C 13 174.691 0.50 A 33 LEU CA C 13 52.580 0.50 A 33 LEU CB C 13 45.410 0.50 A 33 LEU CD1 C 13 26.730 0.50 A 33 LEU CD2 C 13 24.100 0.50 A 33 LEU N N 15 124.522 0.25 A 34 ARG H H 1 8.345 0.03 A 34 ARG HA H 1 4.680 0.03 A 34 ARG HB2 H 1 1.490 0.03 A 34 ARG HD2 H 1 2.810 0.03 A 34 ARG HD3 H 1 3.068 0.03 A 34 ARG HG2 H 1 1.385 0.03 A 34 ARG C C 13 175.700 0.50 A 34 ARG CA C 13 55.420 0.50 A 34 ARG CB C 13 29.500 0.50 A 34 ARG CD C 13 42.400 0.50 A 34 ARG CG C 13 26.600 0.50 A 34 ARG N N 15 122.712 0.25 A 35 VAL H H 1 8.640 0.03 A 35 VAL HA H 1 4.465 0.03 A 35 VAL HB H 1 1.570 0.03 A 35 VAL HG1% H 1 0.390 0.03 A 35 VAL HG2% H 1 -0.870 0.03 A 35 VAL C C 13 173.184 0.50 A 35 VAL CA C 13 58.670 0.50 A 35 VAL CB C 13 36.050 0.50 A 35 VAL CG1 C 13 21.310 0.50 A 35 VAL CG2 C 13 16.690 0.50 A 35 VAL N N 15 117.728 0.25 A 36 THR H H 1 6.220 0.03 A 36 THR HA H 1 4.660 0.03 A 36 THR HB H 1 4.410 0.03 A 36 THR HG2% H 1 0.970 0.03 A 36 THR C C 13 174.862 0.50 A 36 THR CA C 13 59.010 0.50 A 36 THR CB C 13 71.570 0.50 A 36 THR CG2 C 13 20.340 0.50 A 36 THR N N 15 104.359 0.25 A 37 GLY H H 1 9.160 0.03 A 37 GLY HA2 H 1 4.360 0.03 A 37 GLY HA3 H 1 3.990 0.03 A 37 GLY C C 13 173.394 0.50 A 37 GLY CA C 13 46.830 0.50 A 37 GLY N N 15 105.946 0.25 A 38 GLU H H 1 7.500 0.03 A 38 GLU HA H 1 4.290 0.03 A 38 GLU HB2 H 1 1.770 0.03 A 38 GLU HG2 H 1 2.240 0.03 A 38 GLU C C 13 176.167 0.50 A 38 GLU CA C 13 55.500 0.50 A 38 GLU CB C 13 30.950 0.50 A 38 GLU CG C 13 36.470 0.50 A 38 GLU N N 15 113.875 0.25 A 39 VAL H H 1 7.260 0.03 A 39 VAL HA H 1 3.820 0.03 A 39 VAL HB H 1 1.950 0.03 A 39 VAL HG1% H 1 0.990 0.03 A 39 VAL HG2% H 1 0.920 0.03 A 39 VAL C C 13 174.651 0.50 A 39 VAL CA C 13 63.920 0.50 A 39 VAL CB C 13 31.590 0.50 A 39 VAL CG1 C 13 23.070 0.50 A 39 VAL CG2 C 13 21.310 0.50 A 39 VAL N N 15 121.577 0.25 A 40 HIS H H 1 8.285 0.03 A 40 HIS HA H 1 5.212 0.03 A 40 HIS HB2 H 1 3.140 0.03 A 40 HIS HB3 H 1 3.300 0.03 A 40 HIS C C 13 177.440 0.50 A 40 HIS CA C 13 54.660 0.50 A 40 HIS CB C 13 30.910 0.50 A 40 HIS N N 15 123.391 0.25 A 41 ILE H H 1 8.863 0.03 A 41 ILE HA H 1 3.530 0.03 A 41 ILE HB H 1 2.435 0.03 A 41 ILE HD1% H 1 0.870 0.03 A 41 ILE HG12 H 1 1.420 0.03 A 41 ILE HG13 H 1 1.990 0.03 A 41 ILE HG2% H 1 0.570 0.03 A 41 ILE C C 13 178.941 0.50 A 41 ILE CA C 13 62.330 0.50 A 41 ILE CB C 13 34.230 0.50 A 41 ILE CD1 C 13 17.880 0.50 A 41 ILE CG1 C 13 27.800 0.50 A 41 ILE CG2 C 13 9.200 0.50 A 41 ILE N N 15 124.071 0.25 A 42 GLY H H 1 9.720 0.03 A 42 GLY HA2 H 1 3.867 0.03 A 42 GLY C C 13 175.669 0.50 A 42 GLY CA C 13 45.320 0.50 A 42 GLY N N 15 106.853 0.25 A 43 GLY H H 1 6.950 0.03 A 43 GLY HA2 H 1 3.789 0.03 A 43 GLY HA3 H 1 3.490 0.03 A 43 GLY C C 13 175.847 0.50 A 43 GLY CA C 13 47.000 0.50 A 43 GLY N N 15 109.571 0.25 A 44 VAL H H 1 7.860 0.03 A 44 VAL HA H 1 3.115 0.03 A 44 VAL HB H 1 2.170 0.03 A 44 VAL HG1% H 1 0.718 0.03 A 44 VAL HG2% H 1 0.455 0.03 A 44 VAL C C 13 176.804 0.50 A 44 VAL CA C 13 66.660 0.50 A 44 VAL CB C 13 30.730 0.50 A 44 VAL CG1 C 13 23.320 0.50 A 44 VAL CG2 C 13 21.140 0.50 A 44 VAL N N 15 123.163 0.25 A 45 MET H H 1 7.940 0.03 A 45 MET HA H 1 3.410 0.03 A 45 MET HB2 H 1 2.185 0.03 A 45 MET HE% H 1 2.322 0.03 A 45 MET HG2 H 1 2.754 0.03 A 45 MET C C 13 176.881 0.50 A 45 MET CA C 13 59.830 0.50 A 45 MET CB C 13 32.310 0.50 A 45 MET CE C 13 16.390 0.50 A 45 MET CG C 13 32.280 0.50 A 45 MET N N 15 115.913 0.25 A 46 LEU H H 1 7.550 0.03 A 46 LEU HA H 1 3.940 0.03 A 46 LEU HB2 H 1 1.700 0.03 A 46 LEU HD1% H 1 0.855 0.03 A 46 LEU HD2% H 1 0.835 0.03 A 46 LEU HG H 1 1.680 0.03 A 46 LEU C C 13 179.178 0.50 A 46 LEU CA C 13 58.500 0.50 A 46 LEU CB C 13 41.930 0.50 A 46 LEU CD1 C 13 24.680 0.50 A 46 LEU CD2 C 13 24.000 0.50 A 46 LEU CG C 13 26.700 0.50 A 46 LEU N N 15 118.291 0.25 A 47 LYS H H 1 7.665 0.03 A 47 LYS HA H 1 3.870 0.03 A 47 LYS HB2 H 1 1.690 0.03 A 47 LYS HB3 H 1 1.625 0.03 A 47 LYS HD2 H 1 1.625 0.03 A 47 LYS HE2 H 1 2.830 0.03 A 47 LYS HG2 H 1 1.423 0.03 A 47 LYS C C 13 178.616 0.50 A 47 LYS CA C 13 57.980 0.50 A 47 LYS CB C 13 32.320 0.50 A 47 LYS CD C 13 32.320 0.50 A 47 LYS CE C 13 41.500 0.50 A 47 LYS CG C 13 25.010 0.50 A 47 LYS N N 15 118.142 0.25 A 48 LEU H H 1 7.975 0.03 A 48 LEU HA H 1 3.570 0.03 A 48 LEU HB2 H 1 1.145 0.03 A 48 LEU HD1% H 1 0.120 0.03 A 48 LEU HD2% H 1 -0.143 0.03 A 48 LEU HG H 1 0.925 0.03 A 48 LEU C C 13 177.405 0.50 A 48 LEU CA C 13 57.790 0.50 A 48 LEU CB C 13 41.590 0.50 A 48 LEU CD1 C 13 23.960 0.50 A 48 LEU CD2 C 13 24.860 0.50 A 48 LEU CG C 13 26.020 0.50 A 48 LEU N N 15 119.385 0.25 A 49 VAL H H 1 7.615 0.03 A 49 VAL HA H 1 2.990 0.03 A 49 VAL HB H 1 1.955 0.03 A 49 VAL HG2% H 1 0.770 0.03 A 49 VAL C C 13 178.564 0.50 A 49 VAL CA C 13 66.310 0.50 A 49 VAL CB C 13 31.300 0.50 A 49 VAL CG2 C 13 21.640 0.50 A 49 VAL N N 15 116.141 0.25 A 50 GLU H H 1 7.575 0.03 A 50 GLU HA H 1 3.965 0.03 A 50 GLU HB2 H 1 2.140 0.03 A 50 GLU HB3 H 1 2.040 0.03 A 50 GLU HG2 H 1 2.145 0.03 A 50 GLU HG3 H 1 2.365 0.03 A 50 GLU C C 13 178.030 0.50 A 50 GLU CA C 13 58.500 0.50 A 50 GLU CB C 13 29.610 0.50 A 50 GLU CG C 13 36.320 0.50 A 50 GLU N N 15 118.631 0.25 A 51 LYS H H 1 7.490 0.03 A 51 LYS HA H 1 4.130 0.03 A 51 LYS HB2 H 1 1.785 0.03 A 51 LYS HD2 H 1 1.560 0.03 A 51 LYS HE2 H 1 2.930 0.03 A 51 LYS HG2 H 1 1.395 0.03 A 51 LYS C C 13 176.956 0.50 A 51 LYS CA C 13 56.660 0.50 A 51 LYS CB C 13 32.660 0.50 A 51 LYS CD C 13 27.090 0.50 A 51 LYS CE C 13 42.000 0.50 A 51 LYS CG C 13 24.960 0.50 A 51 LYS N N 15 117.053 0.25 A 52 LEU H H 1 7.470 0.03 A 52 LEU HA H 1 4.122 0.03 A 52 LEU HD1% H 1 0.500 0.03 A 52 LEU HD2% H 1 1.390 0.03 A 52 LEU HG H 1 1.590 0.03 A 52 LEU C C 13 176.645 0.50 A 52 LEU CA C 13 56.660 0.50 A 52 LEU CB C 13 42.700 0.50 A 52 LEU CD1 C 13 22.380 0.50 A 52 LEU CD2 C 13 24.960 0.50 A 52 LEU CG C 13 27.090 0.50 A 52 LEU N N 15 119.460 0.25 A 55 LYS C C 13 175.670 0.50 A 56 LYS H H 1 7.245 0.03 A 56 LYS HA H 1 4.302 0.03 A 56 LYS HB2 H 1 1.765 0.03 A 56 LYS HD2 H 1 1.622 0.03 A 56 LYS HE2 H 1 2.93 0.03 A 56 LYS HG2 H 1 1.417 0.03 A 56 LYS C C 13 172.850 0.50 A 56 LYS CA C 13 54.530 0.50 A 56 LYS CB C 13 31.1 0.50 A 56 LYS CD C 13 28.570 0.50 A 56 LYS CE C 13 41.300 0.50 A 56 LYS CG C 13 23.940 0.50 A 56 LYS N N 15 122.430 0.25 A 57 ASP H H 1 7.867 0.03 A 57 ASP HA H 1 4.530 0.03 A 57 ASP HB2 H 1 2.470 0.03 A 57 ASP HB3 H 1 2.690 0.03 A 57 ASP C C 13 176.710 0.50 A 57 ASP CA C 13 52.500 0.50 A 57 ASP CB C 13 40.320 0.50 A 57 ASP N N 15 118.867 0.25 A 58 TRP H H 1 8.790 0.03 A 58 TRP HA H 1 4.540 0.03 A 58 TRP HB2 H 1 3.479 0.03 A 58 TRP HB3 H 1 2.910 0.03 A 58 TRP HE1 H 1 10.100 0.03 A 58 TRP C C 13 178.390 0.50 A 58 TRP CA C 13 52.860 0.50 A 58 TRP CB C 13 29.420 0.50 A 58 TRP N N 15 128.827 0.25 A 58 TRP NE1 N 15 128.827 0.25 A 59 SER H H 1 8.637 0.03 A 59 SER HA H 1 4.143 0.03 A 59 SER HB2 H 1 3.952 0.03 A 59 SER HB3 H 1 3.994 0.03 A 59 SER C C 13 174.471 0.50 A 59 SER CA C 13 62.350 0.50 A 59 SER CB C 13 63.110 0.50 A 59 SER N N 15 117.724 0.25 A 60 ASP H H 1 8.895 0.03 A 60 ASP HB2 H 1 2.540 0.03 A 60 ASP C C 13 176.206 0.50 A 60 ASP CB C 13 42.560 0.50 A 60 ASP N N 15 121.042 0.25 A 61 HIS H H 1 7.958 0.03 A 61 HIS HA H 1 4.490 0.03 A 61 HIS HB2 H 1 2.990 0.03 A 61 HIS HB3 H 1 3.100 0.03 A 61 HIS C C 13 174.546 0.50 A 61 HIS CA C 13 57.940 0.50 A 61 HIS CB C 13 39.410 0.50 A 61 HIS N N 15 121.519 0.25 A 62 ALA H H 1 8.575 0.03 A 62 ALA HB% H 1 1.430 0.03 A 62 ALA C C 13 175.294 0.50 A 62 ALA CB C 13 22.470 0.50 A 62 ALA N N 15 122.256 0.25 A 63 LEU H H 1 9.150 0.03 A 63 LEU HA H 1 5.654 0.03 A 63 LEU HB2 H 1 2.075 0.03 A 63 LEU HD1% H 1 0.723 0.03 A 63 LEU HD2% H 1 0.765 0.03 A 63 LEU HG H 1 1.770 0.03 A 63 LEU C C 13 174.445 0.50 A 63 LEU CA C 13 53.930 0.50 A 63 LEU CB C 13 44.300 0.50 A 63 LEU CD1 C 13 24.010 0.50 A 63 LEU CD2 C 13 26.130 0.50 A 63 LEU CG C 13 26.910 0.50 A 63 LEU N N 15 118.904 0.25 A 64 TRP H H 1 9.590 0.03 A 64 TRP HB2 H 1 2.575 0.03 A 64 TRP HB3 H 1 2.200 0.03 A 64 TRP HE1 H 1 10.410 0.03 A 64 TRP C C 13 174.010 0.50 A 64 TRP CB C 13 32.210 0.50 A 64 TRP N N 15 125.367 0.25 A 64 TRP NE1 N 15 128.827 0.25 A 65 TRP H H 1 8.277 0.03 A 65 TRP HA H 1 4.980 0.03 A 65 TRP HB2 H 1 3.280 0.03 A 65 TRP HB3 H 1 3.220 0.03 A 65 TRP HE1 H 1 10.280 0.03 A 65 TRP C C 13 174.335 0.50 A 65 TRP CA C 13 51.440 0.50 A 65 TRP CB C 13 30.490 0.50 A 65 TRP N N 15 129.982 0.25 A 65 TRP NE1 N 15 127.696 0.25 A 66 GLU H H 1 8.969 0.03 A 66 GLU HA H 1 3.300 0.03 A 66 GLU HB2 H 1 2.160 0.03 A 66 GLU HG2 H 1 2.190 0.03 A 66 GLU HG3 H 1 2.270 0.03 A 66 GLU C C 13 178.595 0.50 A 66 GLU CA C 13 59.920 0.50 A 66 GLU CB C 13 29.060 0.50 A 66 GLU CG C 13 35.110 0.50 A 66 GLU N N 15 129.112 0.25 A 67 LYS H H 1 7.860 0.03 A 67 LYS HA H 1 3.702 0.03 A 67 LYS HB2 H 1 1.759 0.03 A 67 LYS HD2 H 1 1.240 0.03 A 67 LYS HE2 H 1 2.870 0.03 A 67 LYS HG2 H 1 1.033 0.03 A 67 LYS C C 13 176.361 0.50 A 67 LYS CA C 13 58.660 0.50 A 67 LYS CB C 13 32.020 0.50 A 67 LYS CD C 13 24.550 0.50 A 67 LYS CE C 13 41.480 0.50 A 67 LYS CG C 13 24.550 0.50 A 67 LYS N N 15 117.492 0.25 A 68 LYS H H 1 7.500 0.03 A 68 LYS HA H 1 3.935 0.03 A 68 LYS HB2 H 1 1.410 0.03 A 68 LYS HD2 H 1 1.030 0.03 A 68 LYS HE2 H 1 2.560 0.03 A 68 LYS HE3 H 1 2.525 0.03 A 68 LYS HG2 H 1 -0.120 0.03 A 68 LYS HG3 H 1 -0.050 0.03 A 68 LYS C C 13 174.183 0.50 A 68 LYS CA C 13 53.400 0.50 A 68 LYS CB C 13 32.200 0.50 A 68 LYS CD C 13 27.700 0.50 A 68 LYS CE C 13 41.600 0.50 A 68 LYS CG C 13 23.850 0.50 A 68 LYS N N 15 121.233 0.25 A 69 ARG H H 1 7.500 0.03 A 69 ARG HA H 1 2.890 0.03 A 69 ARG HB2 H 1 1.845 0.03 A 69 ARG HB3 H 1 1.560 0.03 A 69 ARG HD2 H 1 3.215 0.03 A 69 ARG C C 13 173.984 0.50 A 69 ARG CA C 13 56.316 0.50 A 69 ARG CB C 13 27.090 0.50 A 69 ARG CD C 13 43.120 0.50 A 69 ARG N N 15 121.125 0.25 A 70 THR H H 1 6.280 0.03 A 70 THR HA H 1 4.650 0.03 A 70 THR HB H 1 3.590 0.03 A 70 THR HG2% H 1 1.130 0.03 A 70 THR C C 13 171.846 0.50 A 70 THR CA C 13 61.630 0.50 A 70 THR CB C 13 72.210 0.50 A 70 THR CG2 C 13 20.190 0.50 A 70 THR N N 15 110.478 0.25 A 71 TRP H H 1 8.795 0.03 A 71 TRP HA H 1 4.750 0.03 A 71 TRP HB2 H 1 3.222 0.03 A 71 TRP HB3 H 1 3.135 0.03 A 71 TRP HE1 H 1 10.020 0.03 A 71 TRP C C 13 177.303 0.50 A 71 TRP CA C 13 56.240 0.50 A 71 TRP CB C 13 30.500 0.50 A 71 TRP N N 15 127.244 0.25 A 71 TRP NE1 N 15 130.413 0.25 A 72 LEU H H 1 9.175 0.03 A 72 LEU HA H 1 4.500 0.03 A 72 LEU HB2 H 1 1.910 0.03 A 72 LEU HD1% H 1 0.427 0.03 A 72 LEU HD2% H 1 0.030 0.03 A 72 LEU HG H 1 1.256 0.03 A 72 LEU C C 13 175.667 0.50 A 72 LEU CA C 13 52.510 0.50 A 72 LEU CB C 13 38.240 0.50 A 72 LEU CD1 C 13 27.100 0.50 A 72 LEU CD2 C 13 21.850 0.50 A 72 LEU CG C 13 25.220 0.50 A 72 LEU N N 15 125.202 0.25 A 73 LEU H H 1 7.280 0.03 A 73 LEU HA H 1 4.380 0.03 A 73 LEU HB2 H 1 1.670 0.03 A 73 LEU HD1% H 1 0.840 0.03 A 73 LEU HD2% H 1 0.720 0.03 A 73 LEU C C 13 178.139 0.50 A 73 LEU CA C 13 54.700 0.50 A 73 LEU CB C 13 42.170 0.50 A 73 LEU CD1 C 13 25.100 0.50 A 73 LEU CD2 C 13 21.770 0.50 A 73 LEU N N 15 119.170 0.25 A 74 LYS H H 1 7.865 0.03 A 74 LYS HA H 1 4.435 0.03 A 74 LYS HB2 H 1 1.325 0.03 A 74 LYS HD2 H 1 0.570 0.03 A 74 LYS HD3 H 1 0.105 0.03 A 74 LYS HE2 H 1 2.445 0.03 A 74 LYS HE3 H 1 2.515 0.03 A 74 LYS HG2 H 1 0.810 0.03 A 74 LYS HG3 H 1 0.370 0.03 A 74 LYS C C 13 176.601 0.50 A 74 LYS CA C 13 54.660 0.50 A 74 LYS CB C 13 28.540 0.50 A 74 LYS CD C 13 27.900 0.50 A 74 LYS CE C 13 42.020 0.50 A 74 LYS CG C 13 23.470 0.50 A 74 LYS N N 15 119.766 0.25 A 75 THR H H 1 7.910 0.03 A 75 THR HA H 1 3.800 0.03 A 75 THR HB H 1 4.165 0.03 A 75 THR HG2% H 1 1.305 0.03 A 75 THR C C 13 174.806 0.50 A 75 THR CA C 13 64.650 0.50 A 75 THR CB C 13 68.260 0.50 A 75 THR CG2 C 13 22.370 0.50 A 75 THR N N 15 115.636 0.25 A 76 HIS H H 1 8.965 0.03 A 76 HIS HB2 H 1 3.310 0.03 A 76 HIS HB3 H 1 3.295 0.03 A 76 HIS C C 13 176.370 0.50 A 76 HIS CB C 13 30.210 0.50 A 76 HIS N N 15 116.767 0.25 A 77 TRP H H 1 7.635 0.03 A 77 TRP HB2 H 1 3.430 0.03 A 77 TRP HB3 H 1 2.950 0.03 A 77 TRP HE1 H 1 10.180 0.03 A 77 TRP C C 13 175.584 0.50 A 77 TRP CB C 13 30.390 0.50 A 77 TRP N N 15 123.905 0.25 A 77 TRP NE1 N 15 127.468 0.25 A 78 THR H H 1 7.030 0.03 A 78 THR HA H 1 4.900 0.03 A 78 THR HB H 1 5.000 0.03 A 78 THR HG2% H 1 1.130 0.03 A 78 THR C C 13 175.691 0.50 A 78 THR CA C 13 59.500 0.50 A 78 THR CB C 13 70.600 0.50 A 78 THR CG2 C 13 22.230 0.50 A 78 THR N N 15 108.440 0.25 A 79 LEU H H 1 8.045 0.03 A 79 LEU HA H 1 4.040 0.03 A 79 LEU HB2 H 1 2.060 0.03 A 79 LEU HD1% H 1 0.570 0.03 A 79 LEU HD2% H 1 0.630 0.03 A 79 LEU HG H 1 1.760 0.03 A 79 LEU C C 13 179.734 0.50 A 79 LEU CA C 13 58.750 0.50 A 79 LEU CB C 13 40.450 0.50 A 79 LEU CD1 C 13 22.950 0.50 A 79 LEU CD2 C 13 26.310 0.50 A 79 LEU CG C 13 26.680 0.50 A 79 LEU N N 15 119.766 0.25 A 80 ASP H H 1 8.935 0.03 A 80 ASP HA H 1 4.440 0.03 A 80 ASP HB2 H 1 2.465 0.03 A 80 ASP HB3 H 1 2.400 0.03 A 80 ASP C C 13 179.152 0.50 A 80 ASP CA C 13 57.320 0.50 A 80 ASP CB C 13 40.320 0.50 A 80 ASP N N 15 118.407 0.25 A 81 LYS H H 1 8.055 0.03 A 81 LYS HA H 1 3.700 0.03 A 81 LYS HB2 H 1 1.75 0.03 A 81 LYS HD2 H 1 1.5 0.03 A 81 LYS HE2 H 1 2.940 0.03 A 81 LYS HG2 H 1 1.22 0.03 A 81 LYS HG3 H 1 1.03 0.03 A 81 LYS C C 13 178.721 0.50 A 81 LYS CA C 13 59.020 0.50 A 81 LYS CB C 13 31.640 0.50 A 81 LYS CD C 13 29.0 0.50 A 81 LYS CE C 13 42.000 0.50 A 81 LYS CG C 13 24.100 0.50 A 81 LYS N N 15 123.300 0.25 A 82 TYR H H 1 7.730 0.03 A 82 TYR HA H 1 4.580 0.03 A 82 TYR HB2 H 1 3.260 0.03 A 82 TYR HB3 H 1 2.790 0.03 A 82 TYR C C 13 176.164 0.50 A 82 TYR CA C 13 61.750 0.50 A 82 TYR CB C 13 40.750 0.50 A 82 TYR N N 15 115.690 0.25 A 83 GLY H H 1 8.030 0.03 A 83 GLY HA2 H 1 4.240 0.03 A 83 GLY HA3 H 1 3.840 0.03 A 83 GLY C C 13 174.555 0.50 A 83 GLY CA C 13 45.510 0.50 A 83 GLY N N 15 108.212 0.25 A 84 ILE H H 1 7.850 0.03 A 84 ILE HA H 1 3.370 0.03 A 84 ILE HB H 1 1.470 0.03 A 84 ILE HD1% H 1 0.010 0.03 A 84 ILE HG12 H 1 0.825 0.03 A 84 ILE HG13 H 1 -0.560 0.03 A 84 ILE HG2% H 1 0.525 0.03 A 84 ILE C C 13 173.611 0.50 A 84 ILE CA C 13 61.700 0.50 A 84 ILE CB C 13 37.610 0.50 A 84 ILE CD1 C 13 14.000 0.50 A 84 ILE CG1 C 13 27.700 0.50 A 84 ILE CG2 C 13 17.900 0.50 A 84 ILE N N 15 122.960 0.25 A 85 GLN H H 1 7.700 0.03 A 85 GLN HA H 1 3.880 0.03 A 85 GLN HB2 H 1 1.770 0.03 A 85 GLN HE21 H 1 7.420 0.03 A 85 GLN HE22 H 1 6.640 0.03 A 85 GLN HG2 H 1 2.050 0.03 A 85 GLN C C 13 174.756 0.50 A 85 GLN CA C 13 53.720 0.50 A 85 GLN CB C 13 31.150 0.50 A 85 GLN CG C 13 33.840 0.50 A 85 GLN N N 15 125.429 0.25 A 85 GLN NE2 N 15 112.280 0.25 A 86 ALA H H 1 6.886 0.03 A 86 ALA HA H 1 3.800 0.03 A 86 ALA HB% H 1 1.085 0.03 A 86 ALA C C 13 177.201 0.50 A 86 ALA CA C 13 54.080 0.50 A 86 ALA CB C 13 18.410 0.50 A 86 ALA N N 15 118.217 0.25 A 87 ASP H H 1 8.223 0.03 A 87 ASP HA H 1 4.420 0.03 A 87 ASP HB2 H 1 2.795 0.03 A 87 ASP HB3 H 1 2.560 0.03 A 87 ASP C C 13 176.218 0.50 A 87 ASP CA C 13 54.060 0.50 A 87 ASP CB C 13 39.600 0.50 A 87 ASP N N 15 113.647 0.25 A 88 ALA H H 1 7.941 0.03 A 88 ALA HA H 1 4.306 0.03 A 88 ALA HB% H 1 1.275 0.03 A 88 ALA C C 13 176.630 0.50 A 88 ALA CA C 13 53.320 0.50 A 88 ALA CB C 13 20.020 0.50 A 88 ALA N N 15 124.145 0.25 A 89 LYS H H 1 8.500 0.03 A 89 LYS HA H 1 4.826 0.03 A 89 LYS HB2 H 1 1.920 0.03 A 89 LYS HB3 H 1 1.810 0.03 A 89 LYS HD2 H 1 1.680 0.03 A 89 LYS HE2 H 1 2.950 0.03 A 89 LYS HG2 H 1 1.480 0.03 A 89 LYS C C 13 176.161 0.50 A 89 LYS CA C 13 54.736 0.50 A 89 LYS CB C 13 32.390 0.50 A 89 LYS CD C 13 28.780 0.50 A 89 LYS CE C 13 42.000 0.50 A 89 LYS CG C 13 24.140 0.50 A 89 LYS N N 15 120.897 0.25 A 90 LEU H H 1 8.566 0.03 A 90 LEU HA H 1 5.075 0.03 A 90 LEU HB2 H 1 1.770 0.03 A 90 LEU HB3 H 1 1.270 0.03 A 90 LEU HD1% H 1 0.530 0.03 A 90 LEU HD2% H 1 0.290 0.03 A 90 LEU HG H 1 1.420 0.03 A 90 LEU C C 13 176.394 0.50 A 90 LEU CA C 13 53.060 0.50 A 90 LEU CB C 13 44.850 0.50 A 90 LEU CD1 C 13 25.500 0.50 A 90 LEU CD2 C 13 22.000 0.50 A 90 LEU CG C 13 26.880 0.50 A 90 LEU N N 15 122.960 0.25 A 91 GLN H H 1 9.060 0.03 A 91 GLN HA H 1 5.710 0.03 A 91 GLN HB2 H 1 2.280 0.03 A 91 GLN HB3 H 1 2.225 0.03 A 91 GLN HE21 H 1 7.570 0.03 A 91 GLN HE22 H 1 6.870 0.03 A 91 GLN HG2 H 1 2.500 0.03 A 91 GLN HG3 H 1 2.720 0.03 A 91 GLN C C 13 174.144 0.50 A 91 GLN CA C 13 54.360 0.50 A 91 GLN CB C 13 32.290 0.50 A 91 GLN CG C 13 34.400 0.50 A 91 GLN N N 15 119.538 0.25 A 91 GLN NE2 N 15 111.037 0.25 A 92 PHE H H 1 9.290 0.03 A 92 PHE HA H 1 5.700 0.03 A 92 PHE HB2 H 1 2.560 0.03 A 92 PHE HB3 H 1 3.135 0.03 A 92 PHE C C 13 174.537 0.50 A 92 PHE CA C 13 54.190 0.50 A 92 PHE CB C 13 41.080 0.50 A 92 PHE N N 15 125.674 0.25 A 93 THR H H 1 8.945 0.03 A 93 THR HA H 1 5.100 0.03 A 93 THR HB H 1 3.960 0.03 A 93 THR HG2% H 1 1.270 0.03 A 93 THR C C 13 180.164 0.50 A 93 THR CA C 13 58.830 0.50 A 93 THR CB C 13 73.610 0.50 A 93 THR CG2 C 13 19.700 0.50 A 93 THR N N 15 124.543 0.25 A 94 PRO HA H 1 4.300 0.03 A 94 PRO HB2 H 1 2.206 0.03 A 94 PRO HD2 H 1 3.725 0.03 A 94 PRO HG2 H 1 1.816 0.03 A 94 PRO HG3 H 1 1.950 0.03 A 94 PRO CA C 13 63.570 0.50 A 94 PRO CB C 13 31.620 0.50 A 94 PRO CD C 13 50.690 0.50 A 94 PRO CG C 13 27.2 0.50 A 96 HIS HA H 1 4.358 0.03 A 96 HIS HB2 H 1 2.984 0.03 A 96 HIS C C 13 174.808 0.50 A 96 HIS CA C 13 56.595 0.50 A 96 HIS CB C 13 29.646 0.50 A 97 LYS H H 1 7.985 0.03 A 97 LYS C C 13 176.220 0.50 A 97 LYS CA C 13 56.386 0.50 A 97 LYS CB C 13 32.442 0.50 A 97 LYS CD C 13 28.488 0.50 A 97 LYS CE C 13 41.584 0.50 A 97 LYS CG C 13 24.241 0.50 A 97 LYS N N 15 120.773 0.25 A 98 LEU H H 1 8.062 0.03 A 98 LEU C C 13 176.953 0.50 A 98 LEU CA C 13 55.061 0.50 A 98 LEU CB C 13 43.761 0.50 A 98 LEU N N 15 122.256 0.25 A 99 LEU H H 1 8.013 0.03 A 99 LEU HA H 1 4.206 0.03 A 99 LEU HB2 H 1 1.460 0.03 A 99 LEU HB3 H 1 1.510 0.03 A 99 LEU HD1% H 1 0.720 0.03 A 99 LEU HG H 1 1.450 0.03 A 99 LEU C C 13 176.940 0.50 A 99 LEU CA C 13 54.950 0.50 A 99 LEU CB C 13 42.040 0.50 A 99 LEU CD1 C 13 23.470 0.50 A 99 LEU CG C 13 26.770 0.50 A 99 LEU N N 15 123.010 0.25 A 100 ARG H H 1 8.091 0.03 A 100 ARG HA H 1 4.205 0.03 A 100 ARG HB2 H 1 1.650 0.03 A 100 ARG HB3 H 1 1.723 0.03 A 100 ARG HD2 H 1 3.065 0.03 A 100 ARG C C 13 175.772 0.50 A 100 ARG CA C 13 55.620 0.50 A 100 ARG CB C 13 30.100 0.50 A 100 ARG CD C 13 43.150 0.50 A 100 ARG N N 15 121.353 0.25 A 101 LEU H H 1 8.032 0.03 A 101 LEU HA H 1 4.210 0.03 A 101 LEU HB2 H 1 1.500 0.03 A 101 LEU HB3 H 1 1.450 0.03 A 101 LEU HD1% H 1 0.830 0.03 A 101 LEU HD2% H 1 0.830 0.03 A 101 LEU HG H 1 1.450 0.03 A 101 LEU C C 13 176.744 0.50 A 101 LEU CA C 13 55.180 0.50 A 101 LEU CB C 13 42.030 0.50 A 101 LEU CD1 C 13 23.130 0.50 A 101 LEU CD2 C 13 24.520 0.50 A 101 LEU CG C 13 26.740 0.50 A 101 LEU N N 15 122.712 0.25 A 102 GLN H H 1 8.210 0.03 A 102 GLN HA H 1 4.280 0.03 A 102 GLN HB2 H 1 1.900 0.03 A 102 GLN HB3 H 1 2.000 0.03 A 102 GLN HG2 H 1 2.255 0.03 A 102 GLN C C 13 175.167 0.50 A 102 GLN CA C 13 55.310 0.50 A 102 GLN CB C 13 29.200 0.50 A 102 GLN CG C 13 33.460 0.50 A 102 GLN N N 15 121.063 0.25 A 103 LEU H H 1 8.183 0.03 A 103 LEU HA H 1 4.540 0.03 A 103 LEU HB2 H 1 1.570 0.03 A 103 LEU HD2% H 1 0.850 0.03 A 103 LEU C C 13 174.815 0.50 A 103 LEU CA C 13 52.800 0.50 A 103 LEU CB C 13 41.550 0.50 A 103 LEU CD2 C 13 22.860 0.50 A 103 LEU N N 15 125.202 0.25 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 MET HA A 1 MET HG3 1.0 1.8 2.7 2 2 A 1 MET HA A 1 MET HG2 1.0 1.8 2.7 3 3 A 1 MET HB2 A 2 ALA H 1.0 1.8 2.9 4 4 A 1 MET HB3 A 2 ALA H 1.0 1.8 2.9 5 5 A 1 MET HG3 A 2 ALA H 1.0 1.8 6.0 6 6 A 1 MET HA A 2 ALA H 1.0 1.8 2.9 7 7 A 1 MET HB2 A 2 ALA HA 1.0 1.8 5.0 8 8 A 2 ALA H A 2 ALA HB% 1.0 1.8 3.4 9 9 A 2 ALA H A 3 LEU H 1.0 1.8 6.0 10 10 A 2 ALA H A 3 LEU HB3 1.0 1.8 6.0 11 11 A 2 ALA H A 3 LEU HA 1.0 1.8 4.7 12 12 A 2 ALA HA A 3 LEU H 1.0 1.8 2.9 13 13 A 2 ALA HB% A 3 LEU H 1.0 1.8 3.4 14 14 A 2 ALA HB% A 4 ASP H 1.0 1.8 4.5 15 15 A 3 LEU HA A 3 LEU HG 1.0 1.8 6.0 16 16 A 3 LEU HA A 3 LEU HD1% 1.0 1.8 6.5 17 17 A 3 LEU HA A 3 LEU HD2% 1.0 1.8 6.5 18 18 A 3 LEU H A 3 LEU HD2% 1.0 1.8 3.4 19 19 A 3 LEU H A 3 LEU HD1% 1.0 1.8 3.4 20 20 A 3 LEU H A 3 LEU HG 1.0 1.8 2.9 21 21 A 3 LEU H A 3 LEU HB3 1.0 1.8 3.6 22 22 A 3 LEU H A 3 LEU HB2 1.0 1.8 2.9 23 23 A 3 LEU HD2% A 3 LEU HB2 1.0 1.8 6.5 24 24 A 3 LEU HD1% A 3 LEU HB2 1.0 1.8 3.2 25 25 A 3 LEU HB3 A 3 LEU HD1% 1.0 1.8 6.5 26 26 A 3 LEU HB3 A 3 LEU HD2% 1.0 1.8 6.5 27 27 A 3 LEU H A 4 ASP HBy 1.0 1.8 6.0 28 28 A 4 ASP H A 3 LEU HD2% 1.0 1.8 4.0 29 29 A 3 LEU HA A 4 ASP H 1.0 1.8 3.5 30 30 A 3 LEU HB3 A 4 ASP H 1.0 1.8 2.9 31 31 A 4 ASP H A 3 LEU HB2 1.0 1.8 2.9 32 32 A 3 LEU H A 4 ASP H 1.0 1.8 6.0 33 33 A 4 ASP H A 4 ASP HBy 1.0 1.8 2.9 34 34 A 4 ASP HA A 5 GLY H 1.0 1.8 3.4 35 35 A 4 ASP H A 5 GLY H 1.0 1.8 2.9 36 36 A 4 ASP H A 5 GLY HAy 1.0 1.8 5.0 37 37 A 4 ASP HBy A 5 GLY H 1.0 1.8 3.5 38 38 A 4 ASP HA A 6 ILE H 1.0 1.8 5.0 39 39 A 4 ASP HBy A 6 ILE H 1.0 1.8 5.0 40 40 A 4 ASP H A 6 ILE HB 1.0 1.8 6.0 41 41 A 5 GLY H A 6 ILE H 1.0 1.8 2.9 42 42 A 5 GLY HAy A 6 ILE H 1.0 1.8 3.5 43 43 A 5 GLY HAy A 6 ILE HB 1.0 1.8 5.5 44 44 A 5 GLY H A 6 ILE HA 1.0 1.8 6.0 45 45 A 6 ILE HA A 6 ILE HD1% 1.0 1.8 3.8 46 46 A 6 ILE HA A 6 ILE HG2% 1.0 1.8 3.2 47 47 A 6 ILE HA A 6 ILE HG12 1.0 1.8 2.7 48 48 A 6 ILE HA A 6 ILE HG13 1.0 1.8 3.5 49 49 A 6 ILE H A 6 ILE HG13 1.0 1.8 2.9 50 50 A 6 ILE H A 6 ILE HG12 1.0 1.8 2.9 51 51 A 6 ILE H A 6 ILE HB 1.0 1.8 2.9 52 52 A 6 ILE H A 6 ILE HG2% 1.0 1.8 3.8 53 53 A 6 ILE H A 6 ILE HD1% 1.0 1.8 3.8 54 54 A 6 ILE HB A 6 ILE HD1% 1.0 1.8 3.2 55 55 A 6 ILE H A 7 ARG H 1.0 1.8 3.5 56 56 A 6 ILE HG2% A 7 ARG H 1.0 1.8 3.8 57 57 A 6 ILE HB A 7 ARG H 1.0 1.8 3.5 58 58 A 6 ILE HG13 A 7 ARG H 1.0 1.8 5.0 59 59 A 6 ILE HA A 7 ARG H 1.0 1.8 3.4 60 60 A 6 ILE HB A 8 MET H 1.0 1.8 5.3 61 61 A 6 ILE H A 10 ASP H 1.0 1.8 5.8 62 62 A 6 ILE HA A 10 ASP H 1.0 1.8 6.4 63 63 A 6 ILE HG13 A 11 GLY HA3 1.0 1.8 6.0 64 64 A 6 ILE HG13 A 11 GLY HA2 1.0 1.8 6.0 65 65 A 6 ILE HG2% A 11 GLY H 1.0 1.8 6.5 66 66 A 7 ARG H A 7 ARG HDy 1.0 1.8 6.0 67 67 A 7 ARG H A 7 ARG HGy 1.0 1.8 5.0 68 68 A 7 ARG H A 7 ARG HB3 1.0 1.8 2.9 69 69 A 7 ARG H A 7 ARG HB2 1.0 1.8 2.9 70 70 A 7 ARG HGy A 7 ARG HA 1.0 1.8 3.6 71 71 A 7 ARG HDy A 7 ARG HA 1.0 1.8 2.7 72 72 A 7 ARG HDy A 7 ARG HB3 1.0 1.8 3.5 73 73 A 7 ARG HDy A 7 ARG HB2 1.0 1.8 3.5 74 74 A 8 MET H A 7 ARG HGy 1.0 1.8 4.5 75 75 A 8 MET H A 7 ARG HA 1.0 1.8 3.5 76 76 A 8 MET H A 7 ARG HB2 1.0 1.8 3.6 77 77 A 8 MET H A 7 ARG HB3 1.0 1.8 2.9 78 78 A 7 ARG H A 8 MET H 1.0 1.8 2.9 79 79 A 8 MET H A 7 ARG HDy 1.0 1.8 4.9 80 80 A 10 ASP H A 7 ARG HA 1.0 1.8 6.4 81 81 A 10 ASP H A 7 ARG HGy 1.0 1.8 6.4 82 82 A 8 MET H A 8 MET HBy 1.0 1.8 3.5 83 83 A 8 MET H A 8 MET HG2 1.0 1.8 3.4 84 84 A 8 MET H A 8 MET HG3 1.0 1.8 3.3 85 85 A 8 MET HG3 A 8 MET HA 1.0 1.8 3.6 86 86 A 8 MET HG2 A 8 MET HA 1.0 1.8 5.0 87 87 A 8 MET H A 9 PRO HDy 1.0 1.8 5.0 88 88 A 8 MET H A 10 ASP HA 1.0 1.8 5.8 89 89 A 10 ASP H A 8 MET HA 1.0 1.8 3.6 90 90 A 10 ASP H A 8 MET HG3 1.0 1.8 4.4 91 91 A 11 GLY H A 8 MET HA 1.0 1.8 6.0 92 92 A 11 GLY H A 8 MET HG3 1.0 1.8 6.0 93 93 A 11 GLY H A 8 MET HBy 1.0 1.8 6.4 94 94 A 8 MET H A 12 CYS HA 1.0 1.8 5.4 95 95 A 8 MET H A 12 CYS H 1.0 1.8 6.0 96 96 A 8 MET HBy A 12 CYS H 1.0 1.8 5.9 97 97 A 8 MET HG3 A 12 CYS HBy 1.0 1.8 5.0 98 98 A 8 MET HG2 A 12 CYS HBy 1.0 1.8 6.0 99 99 A 9 PRO HA A 9 PRO HGy 1.0 1.8 4.0 100 100 A 9 PRO HDy A 9 PRO HA 1.0 1.8 6.0 101 101 A 9 PRO HDy A 9 PRO HB2 1.0 1.8 3.9 102 102 A 9 PRO HDy A 9 PRO HB3 1.0 1.8 4.1 103 103 A 10 ASP H A 9 PRO HA 1.0 1.8 3.5 104 104 A 10 ASP H A 9 PRO HB2 1.0 1.8 3.7 105 105 A 10 ASP H A 9 PRO HB3 1.0 1.8 4.5 106 106 A 10 ASP H A 9 PRO HGy 1.0 1.8 4.7 107 107 A 12 CYS HBy A 9 PRO HGy 1.0 1.8 4.4 108 108 A 12 CYS HBy A 9 PRO HB2 1.0 1.8 6.0 109 109 A 9 PRO HA A 13 TYR H 1.0 1.8 2.9 110 110 A 9 PRO HDy A 13 TYR H 1.0 1.8 6.0 111 111 A 10 ASP H A 10 ASP HBy 1.0 1.8 3.6 112 112 A 11 GLY HA3 A 10 ASP HBy 1.0 1.8 6.0 113 113 A 10 ASP H A 11 GLY HA3 1.0 1.8 6.0 114 114 A 10 ASP H A 11 GLY H 1.0 1.8 5.0 115 115 A 11 GLY H A 10 ASP HA 1.0 1.8 3.6 116 116 A 11 GLY H A 10 ASP HBy 1.0 1.8 6.0 117 117 A 10 ASP H A 9 PRO HDy 1.0 1.8 5.0 118 118 A 12 CYS H A 10 ASP HBy 1.0 1.8 6.0 119 119 A 10 ASP H A 12 CYS H 1.0 1.8 6.0 120 120 A 11 GLY HA3 A 12 CYS H 1.0 1.8 3.5 121 121 A 11 GLY HA2 A 12 CYS H 1.0 1.8 3.3 122 122 A 11 GLY H A 12 CYS H 1.0 1.8 6.0 123 123 A 11 GLY H A 14 ALA HA 1.0 1.8 6.4 124 124 A 12 CYS H A 12 CYS HBy 1.0 1.8 2.9 125 125 A 12 CYS HA A 13 TYR H 1.0 1.8 3.5 126 126 A 12 CYS H A 13 TYR H 1.0 1.8 6.0 127 127 A 12 CYS HBy A 13 TYR H 1.0 1.8 2.9 128 128 A 12 CYS HBy A 13 TYR HB3 1.0 1.8 6.0 129 129 A 13 TYR H A 13 TYR HB3 1.0 1.8 3.5 130 130 A 13 TYR H A 13 TYR HB2 1.0 1.8 2.9 131 131 A 13 TYR HA A 14 ALA H 1.0 1.8 2.9 132 132 A 13 TYR HB3 A 14 ALA H 1.0 1.8 6.0 133 133 A 13 TYR HB2 A 14 ALA H 1.0 1.8 6.0 134 134 A 13 TYR HB3 A 15 ASP H 1.0 1.8 5.0 135 135 A 14 ALA H A 14 ALA HB% 1.0 1.8 3.4 136 136 A 14 ALA HA A 15 ASP H 1.0 1.8 3.3 137 137 A 15 ASP H A 14 ALA HB% 1.0 1.8 3.4 138 138 A 14 ALA H A 15 ASP H 1.0 1.8 6.0 139 139 A 14 ALA HB% A 16 GLY H 1.0 1.8 5.5 140 140 A 15 ASP H A 15 ASP HB3 1.0 1.8 3.3 141 141 A 15 ASP H A 15 ASP HB2 1.0 1.8 2.9 142 142 A 16 GLY H A 15 ASP HA 1.0 1.8 3.3 143 143 A 15 ASP H A 16 GLY HA2 1.0 1.8 6.0 144 144 A 15 ASP H A 16 GLY H 1.0 1.8 5.0 145 145 A 16 GLY H A 15 ASP HB2 1.0 1.8 6.0 146 146 A 16 GLY H A 15 ASP HB3 1.0 1.8 3.5 147 147 A 15 ASP H A 17 THR H 1.0 1.8 3.9 148 148 A 15 ASP HB2 A 17 THR H 1.0 1.8 6.0 149 149 A 17 THR H A 16 GLY HA3 1.0 1.8 3.3 150 150 A 16 GLY HA2 A 17 THR H 1.0 1.8 3.3 151 151 A 16 GLY H A 17 THR H 1.0 1.8 2.9 152 152 A 16 GLY H A 17 THR HG2% 1.0 1.8 5.5 153 153 A 17 THR H A 17 THR HB 1.0 1.8 6.0 154 154 A 17 THR H A 17 THR HG2% 1.0 1.8 3.4 155 155 A 17 THR HG2% A 17 THR HA 1.0 1.8 3.2 156 156 A 17 THR HB A 18 TRP H 1.0 1.8 2.9 157 157 A 17 THR HA A 18 TRP H 1.0 1.8 6.0 158 158 A 17 THR H A 18 TRP H 1.0 1.8 4.6 159 159 A 17 THR H A 18 TRP HA 1.0 1.8 6.0 160 160 A 17 THR HG2% A 18 TRP H 1.0 1.8 3.4 161 161 A 18 TRP H A 18 TRP HE1 1.0 1.8 6.0 162 162 A 18 TRP H A 18 TRP HB3 1.0 1.8 3.8 163 163 A 18 TRP H A 18 TRP HD1 1.0 1.8 4.0 164 164 A 18 TRP H A 18 TRP HB2 1.0 1.8 4.0 165 165 A 18 TRP HA A 19 GLU H 1.0 1.8 2.9 166 166 A 18 TRP HB3 A 19 GLU H 1.0 1.8 4.7 167 167 A 18 TRP HB2 A 19 GLU H 1.0 1.8 4.3 168 168 A 18 TRP H A 19 GLU H 1.0 1.8 4.4 169 169 A 18 TRP H A 35 VAL HA 1.0 1.8 5.4 170 170 A 18 TRP H A 36 THR H 1.0 1.8 5.4 171 171 A 18 TRP HE1 A 36 THR HB 1.0 1.8 4.5 172 172 A 18 TRP HE1 A 36 THR HG2% 1.0 1.8 5.5 173 173 A 18 TRP HE1 A 37 GLY H 1.0 1.8 5.0 174 174 A 18 TRP HE1 A 37 GLY HA3 1.0 1.8 5.5 175 175 A 18 TRP HE1 A 37 GLY HA2 1.0 1.8 5.5 176 176 A 18 TRP HD1 A 37 GLY H 1.0 1.8 6.0 177 177 A 37 GLY H A 18 TRP HZ2 1.0 1.8 5.0 178 178 A 18 TRP HE1 A 80 ASP HB3 1.0 1.8 6.4 179 179 A 18 TRP HE1 A 84 ILE HG2% 1.0 1.8 6.5 180 180 A 18 TRP HZ2 A 84 ILE HG2% 1.0 1.8 4.2 181 181 A 18 TRP HE1 A 85 GLN HA 1.0 1.8 6.0 182 182 A 18 TRP HE1 A 85 GLN HGy 1.0 1.8 6.0 183 183 A 18 TRP HD1 A 85 GLN HBy 1.0 1.8 5.0 184 184 A 18 TRP HB2 A 86 ALA HA 1.0 1.8 6.0 185 185 A 18 TRP HD1 A 86 ALA H 1.0 1.8 6.0 186 186 A 18 TRP HA A 86 ALA HB% 1.0 1.8 4.2 187 187 A 18 TRP HB2 A 86 ALA HB% 1.0 1.8 4.1 188 188 A 19 GLU HA A 19 GLU HG2 1.0 1.8 6.0 189 189 A 19 GLU H A 19 GLU HG2 1.0 1.8 2.9 190 190 A 19 GLU H A 19 GLU HB3 1.0 1.8 3.5 191 191 A 19 GLU H A 19 GLU HG3 1.0 1.8 4.1 192 192 A 19 GLU H A 19 GLU HB2 1.0 1.8 3.8 193 193 A 19 GLU HA A 19 GLU HG3 1.0 1.8 4.3 194 194 A 19 GLU H A 20 LEU H 1.0 1.8 4.1 195 195 A 19 GLU HG3 A 20 LEU H 1.0 1.8 5.0 196 196 A 19 GLU HA A 20 LEU H 1.0 1.8 3.5 197 197 A 19 GLU HB3 A 20 LEU H 1.0 1.8 3.3 198 198 A 19 GLU HG2 A 20 LEU H 1.0 1.8 2.9 199 199 A 19 GLU HB2 A 20 LEU H 1.0 1.8 2.9 200 200 A 19 GLU H A 20 LEU HB2 1.0 1.8 5.4 201 201 A 19 GLU H A 20 LEU HD2% 1.0 1.8 6.5 202 202 A 19 GLU HG2 A 32 THR HB 1.0 1.8 5.0 203 203 A 19 GLU HB2 A 32 THR HB 1.0 1.8 5.0 204 204 A 19 GLU HG3 A 32 THR HB 1.0 1.8 6.0 205 205 A 19 GLU HG2 A 33 LEU H 1.0 1.8 6.0 206 206 A 19 GLU HB2 A 33 LEU H 1.0 1.8 5.0 207 207 A 19 GLU HB2 A 34 ARG H 1.0 1.8 6.0 208 208 A 19 GLU H A 86 ALA HB% 1.0 1.8 3.4 209 209 A 20 LEU H A 20 LEU HB3 1.0 1.8 3.4 210 210 A 20 LEU H A 20 LEU HD1% 1.0 1.8 5.5 211 211 A 20 LEU H A 20 LEU HB2 1.0 1.8 3.5 212 212 A 20 LEU H A 20 LEU HG 1.0 1.8 5.0 213 213 A 20 LEU HD2% A 20 LEU HA 1.0 1.8 6.5 214 214 A 20 LEU HD1% A 20 LEU HA 1.0 1.8 3.8 215 215 A 20 LEU HG A 20 LEU HA 1.0 1.8 5.0 216 216 A 20 LEU HB2 A 20 LEU HD1% 1.0 1.8 6.5 217 217 A 20 LEU HB2 A 20 LEU HD2% 1.0 1.8 3.2 218 218 A 20 LEU HB3 A 20 LEU HD1% 1.0 1.8 5.5 219 219 A 20 LEU HD2% A 20 LEU HB3 1.0 1.8 3.2 220 220 A 20 LEU H A 20 LEU HD2% 1.0 1.8 5.5 221 221 A 20 LEU H A 21 SER HBy 1.0 1.8 5.9 222 222 A 20 LEU H A 21 SER H 1.0 1.8 4.4 223 223 A 20 LEU HA A 21 SER HA 1.0 1.8 4.5 224 224 A 20 LEU HD2% A 21 SER HA 1.0 1.8 6.5 225 225 A 20 LEU HA A 21 SER H 1.0 1.8 2.9 226 226 A 20 LEU HG A 21 SER H 1.0 1.8 4.3 227 227 A 20 LEU HB2 A 21 SER H 1.0 1.8 6.0 228 228 A 20 LEU HB3 A 21 SER H 1.0 1.8 2.9 229 229 A 20 LEU HD1% A 21 SER H 1.0 1.8 3.4 230 230 A 20 LEU HD2% A 21 SER H 1.0 1.8 3.8 231 231 A 20 LEU H A 32 THR HB 1.0 1.8 6.0 232 232 A 20 LEU HB2 A 32 THR HB 1.0 1.8 6.0 233 233 A 20 LEU H A 32 THR HA 1.0 1.8 5.9 234 234 A 20 LEU H A 33 LEU HD1% 1.0 1.8 6.1 235 235 A 20 LEU H A 33 LEU HB3 1.0 1.8 5.2 236 236 A 33 LEU H A 20 LEU HB3 1.0 1.8 2.9 237 237 A 20 LEU H A 33 LEU H 1.0 1.8 4.0 238 238 A 20 LEU HD2% A 33 LEU HA 1.0 1.8 6.5 239 239 A 20 LEU HB3 A 33 LEU HB3 1.0 1.8 3.7 240 240 A 20 LEU HA A 33 LEU HB3 1.0 1.8 6.0 241 241 A 20 LEU H A 34 ARG H 1.0 1.8 6.0 242 242 A 20 LEU H A 34 ARG HA 1.0 1.8 3.4 243 243 A 20 LEU HB2 A 34 ARG H 1.0 1.8 5.1 244 244 A 20 LEU H A 35 VAL H 1.0 1.8 3.3 245 245 A 20 LEU HG A 35 VAL H 1.0 1.8 5.4 246 246 A 20 LEU HD1% A 85 GLN H 1.0 1.8 5.5 247 247 A 86 ALA HA A 20 LEU HD2% 1.0 1.8 6.5 248 248 A 86 ALA HA A 20 LEU HG 1.0 1.8 6.0 249 249 A 86 ALA HA A 20 LEU HG 1.0 1.8 6.0 250 250 A 86 ALA H A 20 LEU HD1% 1.0 1.8 6.5 251 251 A 86 ALA HB% A 20 LEU HD1% 1.0 1.8 4.7 252 252 A 20 LEU HD1% A 87 ASP H 1.0 1.8 6.5 253 253 A 20 LEU HD2% A 88 ALA H 1.0 1.8 3.8 254 254 A 20 LEU HD1% A 88 ALA H 1.0 1.8 3.8 255 255 A 20 LEU HD1% A 90 LEU HA 1.0 1.8 5.5 256 256 A 21 SER HBy A 21 SER H 1.0 1.8 3.4 257 257 A 21 SER HBy A 22 VAL HG2% 1.0 1.8 5.9 258 258 A 21 SER HBy A 22 VAL H 1.0 1.8 3.9 259 259 A 21 SER HA A 22 VAL H 1.0 1.8 2.9 260 260 A 21 SER H A 22 VAL H 1.0 1.8 4.1 261 261 A 21 SER HA A 22 VAL HB 1.0 1.8 6.0 262 262 A 21 SER H A 22 VAL HA 1.0 1.8 6.0 263 263 A 21 SER HA A 23 HIS H 1.0 1.8 6.0 264 264 A 21 SER HBy A 32 THR HA 1.0 1.8 4.5 265 265 A 21 SER HA A 32 THR HA 1.0 1.8 2.7 266 266 A 21 SER HA A 32 THR HG2% 1.0 1.8 3.2 267 267 A 21 SER HA A 32 THR HG2% 1.0 1.8 6.5 268 268 A 21 SER HA A 32 THR HA 1.0 1.8 6.0 269 269 A 32 THR HB A 21 SER H 1.0 1.8 4.6 270 270 A 21 SER H A 32 THR HG2% 1.0 1.8 4.5 271 271 A 21 SER H A 32 THR HA 1.0 1.8 6.0 272 272 A 33 LEU H A 21 SER HBy 1.0 1.8 5.2 273 273 A 33 LEU H A 21 SER H 1.0 1.8 6.0 274 274 A 21 SER HBy A 90 LEU H 1.0 1.8 5.0 275 275 A 21 SER H A 90 LEU H 1.0 1.8 6.0 276 276 A 21 SER H A 90 LEU HD2% 1.0 1.8 6.5 277 277 A 22 VAL H A 22 VAL HB 1.0 1.8 2.9 278 278 A 22 VAL HG2% A 22 VAL H 1.0 1.8 3.4 279 279 A 22 VAL H A 22 VAL HG1% 1.0 1.8 4.0 280 280 A 22 VAL HG2% A 22 VAL HA 1.0 1.8 3.2 281 281 A 22 VAL HA A 22 VAL HG1% 1.0 1.8 6.5 282 282 A 22 VAL HB A 23 HIS H 1.0 1.8 5.0 283 283 A 22 VAL HA A 23 HIS H 1.0 1.8 2.9 284 284 A 22 VAL HG2% A 23 HIS H 1.0 1.8 3.4 285 285 A 22 VAL H A 23 HIS H 1.0 1.8 4.4 286 286 A 22 VAL HA A 23 HIS HB2 1.0 1.8 6.0 287 287 A 22 VAL HG2% A 24 VAL H 1.0 1.8 6.1 288 288 A 22 VAL HG1% A 29 ARG H 1.0 1.8 6.5 289 289 A 22 VAL H A 30 ASP HBy 1.0 1.8 6.0 290 290 A 22 VAL H A 31 VAL HB 1.0 1.8 4.8 291 291 A 22 VAL H A 31 VAL H 1.0 1.8 3.6 292 292 A 32 THR HB A 22 VAL HG1% 1.0 1.8 6.5 293 293 A 32 THR HB A 22 VAL H 1.0 1.8 3.5 294 294 A 32 THR HA A 22 VAL H 1.0 1.8 2.9 295 295 A 32 THR HA A 22 VAL HG2% 1.0 1.8 3.9 296 296 A 32 THR HA A 22 VAL HB 1.0 1.8 5.0 297 297 A 22 VAL H A 48 LEU HD1% 1.0 1.8 6.5 298 298 A 22 VAL H A 48 LEU HD2% 1.0 1.8 6.5 299 299 A 22 VAL HB A 48 LEU HD1% 1.0 1.8 4.2 300 300 A 22 VAL HB A 48 LEU HD2% 1.0 1.8 3.2 301 301 A 22 VAL HG2% A 48 LEU HD2% 1.0 1.8 3.7 302 302 A 22 VAL HG2% A 48 LEU HD2% 1.0 1.8 3.7 303 303 A 22 VAL HG2% A 48 LEU HD1% 1.0 1.8 4.3 304 304 A 22 VAL H A 90 LEU H 1.0 1.8 5.0 305 305 A 22 VAL HA A 90 LEU H 1.0 1.8 3.3 306 306 A 22 VAL HG2% A 90 LEU H 1.0 1.8 3.8 307 307 A 90 LEU HA A 22 VAL HG2% 1.0 1.8 4.3 308 308 A 22 VAL HA A 91 GLN HA 1.0 1.8 6.0 309 309 A 22 VAL HG2% A 91 GLN HA 1.0 1.8 3.8 310 310 A 22 VAL HG2% A 91 GLN H 1.0 1.8 3.4 311 311 A 22 VAL HG2% A 92 PHE HA 1.0 1.8 5.5 312 312 A 22 VAL HG2% A 92 PHE HB2 1.0 1.8 6.5 313 313 A 22 VAL HG2% A 92 PHE HB3 1.0 1.8 6.5 314 314 A 23 HIS H A 23 HIS HB2 1.0 1.8 2.9 315 315 A 23 HIS H A 23 HIS HB3 1.0 1.8 3.5 316 316 A 24 VAL H A 23 HIS HB3 1.0 1.8 5.0 317 317 A 23 HIS HB2 A 24 VAL H 1.0 1.8 4.4 318 318 A 23 HIS H A 24 VAL H 1.0 1.8 6.0 319 319 A 24 VAL H A 23 HIS HA 1.0 1.8 2.9 320 320 A 23 HIS H A 24 VAL HG2% 1.0 1.8 5.5 321 321 A 23 HIS H A 24 VAL HG2% 1.0 1.8 6.5 322 322 A 23 HIS H A 24 VAL HG1% 1.0 1.8 6.5 323 323 A 23 HIS HB2 A 24 VAL HA 1.0 1.8 5.5 324 324 A 23 HIS H A 24 VAL HA 1.0 1.8 5.0 325 325 A 23 HIS H A 30 ASP HBy 1.0 1.8 5.0 326 326 A 23 HIS H A 30 ASP HA 1.0 1.8 6.0 327 327 A 30 ASP HBy A 23 HIS HA 1.0 1.8 3.3 328 328 A 23 HIS HA A 30 ASP HA 1.0 1.8 2.7 329 329 A 23 HIS HB2 A 31 VAL H 1.0 1.8 6.0 330 330 A 23 HIS H A 31 VAL H 1.0 1.8 4.3 331 331 A 23 HIS H A 63 LEU HD1% 1.0 1.8 5.5 332 332 A 90 LEU HA A 23 HIS H 1.0 1.8 6.0 333 333 A 23 HIS H A 90 LEU H 1.0 1.8 5.0 334 334 A 23 HIS H A 91 GLN HA 1.0 1.8 2.9 335 335 A 23 HIS H A 91 GLN H 1.0 1.8 6.0 336 336 A 23 HIS H A 91 GLN HB3 1.0 1.8 5.0 337 337 A 23 HIS H A 91 GLN HG2 1.0 1.8 5.0 338 338 A 23 HIS HB2 A 91 GLN H 1.0 1.8 6.0 339 339 A 91 GLN H A 23 HIS HB3 1.0 1.8 6.0 340 340 A 23 HIS H A 91 GLN HG3 1.0 1.8 6.0 341 341 A 23 HIS HB3 A 91 GLN HG2 1.0 1.8 2.7 342 342 A 23 HIS HB2 A 91 GLN HG2 1.0 1.8 2.7 343 343 A 23 HIS HB3 A 91 GLN HG3 1.0 1.8 4.2 344 344 A 23 HIS HB2 A 91 GLN HG3 1.0 1.8 3.6 345 345 A 23 HIS HB3 A 91 GLN HB3 1.0 1.8 3.3 346 346 A 23 HIS HB3 A 91 GLN HB2 1.0 1.8 3.8 347 347 A 23 HIS H A 92 PHE H 1.0 1.8 5.0 348 348 A 24 VAL H A 24 VAL HB 1.0 1.8 2.9 349 349 A 24 VAL H A 24 VAL HB 1.0 1.8 2.9 350 350 A 24 VAL H A 24 VAL HG1% 1.0 1.8 4.0 351 351 A 24 VAL H A 24 VAL HG2% 1.0 1.8 3.4 352 352 A 24 VAL HG2% A 24 VAL HA 1.0 1.8 5.5 353 353 A 24 VAL HG1% A 24 VAL HA 1.0 1.8 5.5 354 354 A 24 VAL H A 25 THR H 1.0 1.8 6.0 355 355 A 24 VAL HG1% A 25 THR HA 1.0 1.8 6.5 356 356 A 24 VAL HG2% A 25 THR H 1.0 1.8 4.3 357 357 A 24 VAL HG1% A 25 THR H 1.0 1.8 3.4 358 358 A 24 VAL HA A 25 THR H 1.0 1.8 6.0 359 359 A 24 VAL HB A 25 THR H 1.0 1.8 6.0 360 360 A 24 VAL HB A 27 VAL H 1.0 1.8 5.0 361 361 A 24 VAL HG1% A 27 VAL H 1.0 1.8 4.3 362 362 A 24 VAL H A 28 ASN HA 1.0 1.8 6.0 363 363 A 24 VAL H A 29 ARG HG3 1.0 1.8 5.0 364 364 A 24 VAL H A 29 ARG H 1.0 1.8 3.8 365 365 A 29 ARG H A 24 VAL HG1% 1.0 1.8 3.4 366 366 A 29 ARG H A 24 VAL HG2% 1.0 1.8 3.4 367 367 A 29 ARG H A 24 VAL HA 1.0 1.8 5.0 368 368 A 29 ARG H A 24 VAL HB 1.0 1.8 2.9 369 369 A 24 VAL H A 30 ASP HA 1.0 1.8 2.9 370 370 A 24 VAL H A 30 ASP H 1.0 1.8 6.0 371 371 A 24 VAL HA A 30 ASP HA 1.0 1.8 4.7 372 372 A 30 ASP HBy A 24 VAL HA 1.0 1.8 6.2 373 373 A 24 VAL HG2% A 30 ASP HA 1.0 1.8 5.5 374 374 A 24 VAL H A 31 VAL HB 1.0 1.8 6.0 375 375 A 24 VAL H A 31 VAL H 1.0 1.8 4.2 376 376 A 24 VAL HG2% A 31 VAL HA 1.0 1.8 6.5 377 377 A 31 VAL H A 24 VAL HA 1.0 1.8 5.8 378 378 A 31 VAL H A 24 VAL HB 1.0 1.8 6.0 379 379 A 31 VAL H A 24 VAL HG2% 1.0 1.8 4.0 380 380 A 31 VAL HB A 24 VAL HG2% 1.0 1.8 3.8 381 381 A 24 VAL HG1% A 62 ALA H 1.0 1.8 6.1 382 382 A 24 VAL H A 91 GLN HA 1.0 1.8 6.0 383 383 A 91 GLN HA A 24 VAL HG1% 1.0 1.8 6.5 384 384 A 91 GLN H A 24 VAL HG2% 1.0 1.8 6.9 385 385 A 24 VAL HG1% A 92 PHE H 1.0 1.8 5.5 386 386 A 92 PHE H A 24 VAL HB 1.0 1.8 5.3 387 387 A 92 PHE HB2 A 24 VAL HG1% 1.0 1.8 3.6 388 388 A 92 PHE HB2 A 24 VAL HG2% 1.0 1.8 3.2 389 389 A 25 THR H A 25 THR HB 1.0 1.8 3.5 390 390 A 25 THR HA A 25 THR HG2% 1.0 1.8 3.2 391 391 A 25 THR H A 25 THR HG2% 1.0 1.8 3.4 392 392 A 25 THR HA A 28 ASN H 1.0 1.8 3.5 393 393 A 25 THR H A 28 ASN HA 1.0 1.8 5.8 394 394 A 29 ARG H A 25 THR HA 1.0 1.8 6.2 395 395 A 29 ARG H A 25 THR H 1.0 1.8 6.0 396 396 A 29 ARG H A 25 THR HA 1.0 1.8 5.0 397 397 A 25 THR HG2% A 64 TRP H 1.0 1.8 5.5 398 398 A 25 THR H A 64 TRP HB3 1.0 1.8 6.0 399 399 A 25 THR H A 64 TRP HB2 1.0 1.8 6.0 400 400 A 91 GLN HB2 A 25 THR H 1.0 1.8 6.0 401 401 A 92 PHE H A 25 THR H 1.0 1.8 5.0 402 402 A 92 PHE H A 25 THR HG2% 1.0 1.8 6.5 403 403 A 92 PHE HB2 A 25 THR H 1.0 1.8 5.0 404 404 A 92 PHE HA A 25 THR H 1.0 1.8 6.0 405 405 A 25 THR HB A 93 THR HB 1.0 1.8 6.0 406 406 A 25 THR HB A 93 THR HA 1.0 1.8 6.0 407 407 A 25 THR HA A 93 THR HG2% 1.0 1.8 6.5 408 408 A 25 THR H A 93 THR HG2% 1.0 1.8 4.5 409 409 A 25 THR H A 93 THR HB 1.0 1.8 3.6 410 410 A 27 VAL HA A 27 VAL HG2% 1.0 1.8 3.8 411 411 A 27 VAL H A 27 VAL HG2% 1.0 1.8 3.4 412 412 A 27 VAL H A 27 VAL HG1% 1.0 1.8 4.1 413 413 A 27 VAL H A 27 VAL HB 1.0 1.8 3.6 414 414 A 27 VAL HA A 27 VAL HG1% 1.0 1.8 3.2 415 415 A 27 VAL H A 28 ASN HA 1.0 1.8 4.3 416 416 A 27 VAL H A 28 ASN H 1.0 1.8 2.9 417 417 A 28 ASN H A 27 VAL HA 1.0 1.8 3.5 418 418 A 28 ASN H A 27 VAL HB 1.0 1.8 4.2 419 419 A 28 ASN H A 27 VAL HG2% 1.0 1.8 4.1 420 420 A 27 VAL H A 28 ASN HB2 1.0 1.8 4.0 421 421 A 29 ARG H A 27 VAL H 1.0 1.8 3.9 422 422 A 29 ARG H A 27 VAL HG1% 1.0 1.8 3.4 423 423 A 29 ARG H A 27 VAL HB 1.0 1.8 4.4 424 424 A 92 PHE H A 27 VAL HG2% 1.0 1.8 6.3 425 425 A 27 VAL H A 93 THR HB 1.0 1.8 6.4 426 426 A 28 ASN H A 28 ASN HB2 1.0 1.8 2.9 427 427 A 28 ASN H A 28 ASN HB3 1.0 1.8 3.6 428 428 A 29 ARG H A 28 ASN HA 1.0 1.8 2.9 429 429 A 29 ARG H A 28 ASN H 1.0 1.8 2.9 430 430 A 29 ARG H A 28 ASN HB2 1.0 1.8 4.1 431 431 A 29 ARG H A 28 ASN HB3 1.0 1.8 3.7 432 432 A 29 ARG HDy A 29 ARG HA 1.0 1.8 4.9 433 433 A 29 ARG H A 29 ARG HDy 1.0 1.8 5.0 434 434 A 29 ARG HDy A 29 ARG HB3 1.0 1.8 6.0 435 435 A 29 ARG HDy A 29 ARG HB2 1.0 1.8 6.0 436 436 A 29 ARG H A 29 ARG HB3 1.0 1.8 3.9 437 437 A 29 ARG H A 29 ARG HB2 1.0 1.8 3.6 438 438 A 29 ARG H A 29 ARG HG2 1.0 1.8 2.9 439 439 A 29 ARG H A 29 ARG HG3 1.0 1.8 3.8 440 440 A 29 ARG HA A 29 ARG HG2 1.0 1.8 6.0 441 441 A 29 ARG HG3 A 29 ARG HA 1.0 1.8 6.0 442 442 A 30 ASP H A 29 ARG HB2 1.0 1.8 2.9 443 443 A 30 ASP H A 29 ARG HA 1.0 1.8 6.0 444 444 A 29 ARG H A 30 ASP H 1.0 1.8 4.5 445 445 A 30 ASP H A 29 ARG HB3 1.0 1.8 3.6 446 446 A 30 ASP HA A 29 ARG HG3 1.0 1.8 6.0 447 447 A 31 VAL HA A 29 ARG HB2 1.0 1.8 6.0 448 448 A 30 ASP HBy A 30 ASP H 1.0 1.8 3.8 449 449 A 30 ASP HBy A 31 VAL HA 1.0 1.8 6.0 450 450 A 31 VAL H A 30 ASP H 1.0 1.8 4.3 451 451 A 31 VAL H A 30 ASP HA 1.0 1.8 2.9 452 452 A 30 ASP HBy A 31 VAL H 1.0 1.8 3.5 453 453 A 30 ASP HA A 31 VAL HG1% 1.0 1.8 5.1 454 454 A 31 VAL HB A 30 ASP HA 1.0 1.8 5.0 455 455 A 31 VAL HA A 31 VAL HG1% 1.0 1.8 3.2 456 456 A 31 VAL H A 31 VAL HG1% 1.0 1.8 4.0 457 457 A 31 VAL HB A 31 VAL H 1.0 1.8 2.9 458 458 A 32 THR HB A 31 VAL HA 1.0 1.8 5.6 459 459 A 31 VAL HA A 32 THR H 1.0 1.8 2.9 460 460 A 32 THR HA A 31 VAL HA 1.0 1.8 6.0 461 461 A 31 VAL H A 32 THR H 1.0 1.8 4.2 462 462 A 31 VAL HB A 32 THR H 1.0 1.8 3.8 463 463 A 31 VAL HG1% A 32 THR H 1.0 1.8 3.4 464 464 A 31 VAL HB A 48 LEU HD1% 1.0 1.8 3.2 465 465 A 31 VAL HB A 48 LEU HD2% 1.0 1.8 3.8 466 466 A 31 VAL H A 48 LEU HD2% 1.0 1.8 6.5 467 467 A 32 THR HB A 32 THR H 1.0 1.8 3.7 468 468 A 32 THR HA A 32 THR HG2% 1.0 1.8 3.2 469 469 A 32 THR HG2% A 32 THR H 1.0 1.8 3.4 470 470 A 32 THR HB A 33 LEU H 1.0 1.8 2.9 471 471 A 32 THR HB A 33 LEU HD1% 1.0 1.8 6.5 472 472 A 32 THR HA A 33 LEU HD2% 1.0 1.8 3.2 473 473 A 33 LEU H A 32 THR HA 1.0 1.8 2.9 474 474 A 33 LEU H A 32 THR HG2% 1.0 1.8 3.8 475 475 A 33 LEU H A 32 THR H 1.0 1.8 4.4 476 476 A 34 ARG H A 32 THR HA 1.0 1.8 6.0 477 477 A 34 ARG H A 32 THR H 1.0 1.8 6.3 478 478 A 32 THR HA A 51 LYS HDy 1.0 1.8 6.0 479 479 A 32 THR HA A 51 LYS HEy 1.0 1.8 6.0 480 480 A 33 LEU H A 33 LEU HB3 1.0 1.8 3.7 481 481 A 33 LEU H A 33 LEU HD1% 1.0 1.8 4.0 482 482 A 33 LEU H A 33 LEU HD2% 1.0 1.8 3.4 483 483 A 33 LEU H A 33 LEU HB2 1.0 1.8 2.9 484 484 A 33 LEU HD1% A 33 LEU HA 1.0 1.8 6.5 485 485 A 33 LEU HA A 33 LEU HD2% 1.0 1.8 6.5 486 486 A 33 LEU HB3 A 33 LEU HD2% 1.0 1.8 3.2 487 487 A 33 LEU HD1% A 33 LEU HB3 1.0 1.8 3.2 488 488 A 33 LEU HD2% A 33 LEU HB2 1.0 1.8 3.2 489 489 A 33 LEU HD1% A 33 LEU HB2 1.0 1.8 3.2 490 490 A 33 LEU H A 34 ARG H 1.0 1.8 4.4 491 491 A 34 ARG H A 33 LEU HB3 1.0 1.8 2.9 492 492 A 34 ARG H A 33 LEU HB2 1.0 1.8 4.1 493 493 A 34 ARG H A 33 LEU HD2% 1.0 1.8 4.2 494 494 A 34 ARG H A 33 LEU HD1% 1.0 1.8 3.4 495 495 A 34 ARG H A 33 LEU HA 1.0 1.8 6.0 496 496 A 33 LEU HB3 A 35 VAL HG1% 1.0 1.8 5.5 497 497 A 33 LEU HB2 A 35 VAL HG1% 1.0 1.8 3.8 498 498 A 33 LEU HD1% A 35 VAL HB 1.0 1.8 5.5 499 499 A 33 LEU HD2% A 47 LYS H 1.0 1.8 6.0 500 500 A 33 LEU HD2% A 48 LEU HA 1.0 1.8 3.2 501 501 A 33 LEU HD1% A 48 LEU HA 1.0 1.8 3.2 502 502 A 33 LEU HD2% A 48 LEU H 1.0 1.8 4.0 503 503 A 33 LEU HD1% A 48 LEU H 1.0 1.8 3.4 504 504 A 33 LEU HD1% A 48 LEU HBy 1.0 1.8 3.2 505 505 A 33 LEU HD2% A 48 LEU HBy 1.0 1.8 3.2 506 506 A 33 LEU HD1% A 48 LEU HD2% 1.0 1.8 3.7 507 507 A 33 LEU HD2% A 49 VAL H 1.0 1.8 5.5 508 508 A 33 LEU HD2% A 50 GLU H 1.0 1.8 6.5 509 509 A 34 ARG H A 34 ARG HBy 1.0 1.8 2.9 510 510 A 34 ARG H A 34 ARG HGy 1.0 1.8 4.5 511 511 A 34 ARG H A 34 ARG HD3 1.0 1.8 5.0 512 512 A 34 ARG HBy A 34 ARG HD3 1.0 1.8 3.6 513 513 A 34 ARG HA A 34 ARG HD3 1.0 1.8 2.7 514 514 A 34 ARG HA A 34 ARG HGy 1.0 1.8 2.7 515 515 A 34 ARG H A 35 VAL HG1% 1.0 1.8 5.5 516 516 A 34 ARG H A 35 VAL H 1.0 1.8 4.0 517 517 A 35 VAL H A 34 ARG HBy 1.0 1.8 4.1 518 518 A 34 ARG HA A 35 VAL H 1.0 1.8 6.0 519 519 A 34 ARG H A 39 VAL HG2% 1.0 1.8 6.5 520 520 A 34 ARG H A 44 VAL HG1% 1.0 1.8 6.5 521 521 A 34 ARG H A 51 LYS HDy 1.0 1.8 3.6 522 522 A 35 VAL HA A 35 VAL HG2% 1.0 1.8 6.5 523 523 A 35 VAL HA A 35 VAL HG1% 1.0 1.8 3.2 524 524 A 35 VAL H A 35 VAL HG2% 1.0 1.8 6.5 525 525 A 35 VAL H A 35 VAL HG1% 1.0 1.8 3.4 526 526 A 35 VAL H A 35 VAL HB 1.0 1.8 3.7 527 527 A 35 VAL HA A 36 THR H 1.0 1.8 2.9 528 528 A 35 VAL HA A 36 THR HG2% 1.0 1.8 5.5 529 529 A 36 THR H A 35 VAL HB 1.0 1.8 2.9 530 530 A 36 THR H A 35 VAL HG1% 1.0 1.8 3.4 531 531 A 36 THR H A 35 VAL H 1.0 1.8 5.0 532 532 A 37 GLY H A 35 VAL HB 1.0 1.8 6.3 533 533 A 35 VAL HG1% A 39 VAL H 1.0 1.8 5.5 534 534 A 35 VAL HB A 39 VAL H 1.0 1.8 3.5 535 535 A 35 VAL HB A 39 VAL HG1% 1.0 1.8 3.2 536 536 A 36 THR H A 36 THR HB 1.0 1.8 6.0 537 537 A 36 THR HG2% A 36 THR HA 1.0 1.8 3.2 538 538 A 36 THR H A 36 THR HG2% 1.0 1.8 3.4 539 539 A 36 THR HB A 37 GLY HA2 1.0 1.8 6.0 540 540 A 36 THR HB A 37 GLY H 1.0 1.8 2.9 541 541 A 37 GLY H A 36 THR HA 1.0 1.8 2.9 542 542 A 36 THR HG2% A 37 GLY H 1.0 1.8 3.4 543 543 A 36 THR H A 37 GLY H 1.0 1.8 4.4 544 544 A 36 THR H A 37 GLY HA2 1.0 1.8 6.0 545 545 A 36 THR H A 38 GLU H 1.0 1.8 6.0 546 546 A 36 THR HB A 38 GLU H 1.0 1.8 2.9 547 547 A 36 THR H A 38 GLU HGy 1.0 1.8 6.0 548 548 A 36 THR H A 38 GLU HBy 1.0 1.8 5.0 549 549 A 36 THR H A 39 VAL H 1.0 1.8 3.4 550 550 A 36 THR H A 39 VAL HA 1.0 1.8 6.0 551 551 A 36 THR H A 39 VAL HB 1.0 1.8 3.3 552 552 A 36 THR H A 39 VAL HG2% 1.0 1.8 4.5 553 553 A 36 THR H A 78 THR HG2% 1.0 1.8 6.5 554 554 A 36 THR H A 79 LEU HD2% 1.0 1.8 4.9 555 555 A 37 GLY H A 38 GLU HGy 1.0 1.8 4.5 556 556 A 37 GLY HA2 A 38 GLU H 1.0 1.8 3.4 557 557 A 37 GLY HA3 A 38 GLU H 1.0 1.8 3.3 558 558 A 37 GLY H A 38 GLU H 1.0 1.8 2.9 559 559 A 37 GLY HA2 A 39 VAL H 1.0 1.8 5.0 560 560 A 37 GLY H A 39 VAL H 1.0 1.8 5.0 561 561 A 37 GLY H A 39 VAL HG1% 1.0 1.8 4.9 562 562 A 37 GLY HA2 A 79 LEU HBy 1.0 1.8 6.0 563 563 A 37 GLY HA2 A 79 LEU HD2% 1.0 1.8 6.5 564 564 A 37 GLY HA3 A 79 LEU HD2% 1.0 1.8 5.5 565 565 A 37 GLY H A 79 LEU HD2% 1.0 1.8 4.5 566 566 A 37 GLY H A 80 ASP H 1.0 1.8 5.4 567 567 A 37 GLY HA2 A 80 ASP H 1.0 1.8 2.9 568 568 A 37 GLY H A 80 ASP HB3 1.0 1.8 6.0 569 569 A 38 GLU HGy A 38 GLU HA 1.0 1.8 3.6 570 570 A 38 GLU H A 38 GLU HGy 1.0 1.8 2.9 571 571 A 38 GLU H A 38 GLU HBy 1.0 1.8 2.9 572 572 A 39 VAL H A 38 GLU HA 1.0 1.8 3.4 573 573 A 39 VAL H A 38 GLU H 1.0 1.8 2.9 574 574 A 39 VAL H A 38 GLU HBy 1.0 1.8 3.9 575 575 A 39 VAL H A 38 GLU HGy 1.0 1.8 2.9 576 576 A 38 GLU HGy A 39 VAL HA 1.0 1.8 5.0 577 577 A 39 VAL HG1% A 38 GLU HGy 1.0 1.8 3.6 578 578 A 39 VAL HG1% A 38 GLU H 1.0 1.8 3.4 579 579 A 38 GLU HA A 78 THR HB 1.0 1.8 5.0 580 580 A 38 GLU HGy A 78 THR HG2% 1.0 1.8 4.7 581 581 A 38 GLU H A 79 LEU H 1.0 1.8 6.0 582 582 A 80 ASP H A 38 GLU HA 1.0 1.8 5.4 583 583 A 38 GLU H A 80 ASP H 1.0 1.8 6.0 584 584 A 80 ASP HB3 A 38 GLU H 1.0 1.8 6.0 585 585 A 39 VAL HG1% A 39 VAL HA 1.0 1.8 3.2 586 586 A 39 VAL HG2% A 39 VAL HA 1.0 1.8 3.2 587 587 A 39 VAL H A 39 VAL HB 1.0 1.8 2.9 588 588 A 39 VAL H A 39 VAL HG1% 1.0 1.8 3.4 589 589 A 39 VAL HG2% A 39 VAL H 1.0 1.8 3.8 590 590 A 39 VAL HA A 40 HIS H 1.0 1.8 2.9 591 591 A 39 VAL HG2% A 40 HIS H 1.0 1.8 3.4 592 592 A 39 VAL HB A 40 HIS H 1.0 1.8 4.1 593 593 A 39 VAL H A 40 HIS H 1.0 1.8 4.5 594 594 A 39 VAL HG2% A 43 GLY HA3 1.0 1.8 3.8 595 595 A 39 VAL HG2% A 43 GLY HA2 1.0 1.8 5.5 596 596 A 39 VAL HG2% A 43 GLY H 1.0 1.8 3.4 597 597 A 39 VAL HG2% A 44 VAL HA 1.0 1.8 3.2 598 598 A 39 VAL H A 78 THR HG2% 1.0 1.8 6.5 599 599 A 39 VAL H A 78 THR HB 1.0 1.8 6.0 600 600 A 39 VAL H A 79 LEU HD2% 1.0 1.8 3.4 601 601 A 39 VAL H A 79 LEU H 1.0 1.8 5.0 602 602 A 80 ASP HB3 A 39 VAL H 1.0 1.8 6.0 603 603 A 39 VAL H A 80 ASP H 1.0 1.8 6.0 604 604 A 39 VAL HG2% A 80 ASP H 1.0 1.8 6.9 605 605 A 39 VAL HG1% A 78 THR H 1.0 1.8 6.8 606 606 A 40 HIS H A 40 HIS HB3 1.0 1.8 3.7 607 607 A 40 HIS H A 40 HIS HB2 1.0 1.8 2.9 608 608 A 40 HIS HA A 41 ILE HA 1.0 1.8 6.0 609 609 A 40 HIS HB3 A 41 ILE HA 1.0 1.8 6.0 610 610 A 40 HIS HB2 A 41 ILE H 1.0 1.8 4.1 611 611 A 40 HIS HB3 A 41 ILE H 1.0 1.8 2.9 612 612 A 40 HIS HA A 41 ILE H 1.0 1.8 2.9 613 613 A 40 HIS H A 41 ILE H 1.0 1.8 5.0 614 614 A 40 HIS H A 41 ILE HA 1.0 1.8 5.6 615 615 A 40 HIS HA A 42 GLY H 1.0 1.8 6.0 616 616 A 40 HIS HB3 A 42 GLY H 1.0 1.8 5.0 617 617 A 40 HIS H A 43 GLY H 1.0 1.8 5.0 618 618 A 40 HIS H A 43 GLY HA2 1.0 1.8 5.0 619 619 A 43 GLY H A 40 HIS HA 1.0 1.8 6.0 620 620 A 43 GLY H A 40 HIS HB2 1.0 1.8 2.9 621 621 A 43 GLY H A 40 HIS HB3 1.0 1.8 2.9 622 622 A 40 HIS H A 44 VAL HB 1.0 1.8 6.0 623 623 A 44 VAL HG1% A 40 HIS H 1.0 1.8 6.6 624 624 A 40 HIS H A 44 VAL H 1.0 1.8 6.0 625 625 A 40 HIS HA A 78 THR HA 1.0 1.8 6.0 626 626 A 78 THR HG2% A 40 HIS HA 1.0 1.8 3.2 627 627 A 78 THR HG2% A 40 HIS HB2 1.0 1.8 6.5 628 628 A 78 THR H A 40 HIS HA 1.0 1.8 5.0 629 629 A 79 LEU H A 40 HIS HA 1.0 1.8 4.8 630 630 A 41 ILE HA A 41 ILE HG2% 1.0 1.8 3.2 631 631 A 41 ILE HA A 41 ILE HD1% 1.0 1.8 3.8 632 632 A 41 ILE HA A 41 ILE HG12 1.0 1.8 5.0 633 633 A 41 ILE HA A 41 ILE HG13 1.0 1.8 5.0 634 634 A 41 ILE H A 41 ILE HG12 1.0 1.8 2.9 635 635 A 41 ILE H A 41 ILE HD1% 1.0 1.8 3.4 636 636 A 41 ILE H A 41 ILE HG2% 1.0 1.8 3.8 637 637 A 41 ILE H A 41 ILE HG13 1.0 1.8 2.9 638 638 A 41 ILE H A 41 ILE HB 1.0 1.8 2.9 639 639 A 41 ILE HD1% A 41 ILE HB 1.0 1.8 3.2 640 640 A 41 ILE HA A 42 GLY HAy 1.0 1.8 6.0 641 641 A 41 ILE H A 42 GLY H 1.0 1.8 3.5 642 642 A 42 GLY H A 41 ILE HB 1.0 1.8 2.9 643 643 A 41 ILE HA A 42 GLY H 1.0 1.8 3.5 644 644 A 43 GLY H A 41 ILE HA 1.0 1.8 3.4 645 645 A 43 GLY H A 41 ILE H 1.0 1.8 6.0 646 646 A 44 VAL HA A 41 ILE HA 1.0 1.8 6.0 647 647 A 41 ILE HA A 44 VAL HB 1.0 1.8 2.7 648 648 A 41 ILE HA A 44 VAL H 1.0 1.8 2.9 649 649 A 41 ILE H A 44 VAL HB 1.0 1.8 6.0 650 650 A 41 ILE H A 44 VAL H 1.0 1.8 6.0 651 651 A 44 VAL H A 41 ILE HG2% 1.0 1.8 4.6 652 652 A 44 VAL H A 41 ILE HG13 1.0 1.8 5.5 653 653 A 44 VAL H A 41 ILE HD1% 1.0 1.8 5.9 654 654 A 44 VAL H A 41 ILE HB 1.0 1.8 6.0 655 655 A 41 ILE HA A 72 LEU HD2% 1.0 1.8 6.5 656 656 A 41 ILE HD1% A 72 LEU H 1.0 1.8 5.5 657 657 A 41 ILE HG2% A 72 LEU HG 1.0 1.8 3.8 658 658 A 41 ILE HD1% A 73 LEU H 1.0 1.8 6.5 659 659 A 41 ILE HG2% A 74 LYS H 1.0 1.8 5.5 660 660 A 41 ILE H A 75 THR HB 1.0 1.8 6.0 661 661 A 41 ILE HA A 75 THR HA 1.0 1.8 6.0 662 662 A 41 ILE H A 75 THR HA 1.0 1.8 5.0 663 663 A 41 ILE HG2% A 75 THR HA 1.0 1.8 6.5 664 664 A 41 ILE HG2% A 75 THR H 1.0 1.8 5.5 665 665 A 41 ILE HD1% A 75 THR HA 1.0 1.8 3.2 666 666 A 41 ILE HD1% A 75 THR HB 1.0 1.8 5.5 667 667 A 41 ILE H A 77 TRP H 1.0 1.8 5.0 668 668 A 41 ILE HG12 A 77 TRP H 1.0 1.8 6.0 669 669 A 41 ILE H A 78 THR HA 1.0 1.8 6.0 670 670 A 78 THR H A 41 ILE HG13 1.0 1.8 4.0 671 671 A 41 ILE HD1% A 82 TYR HB2 1.0 1.8 5.5 672 672 A 43 GLY H A 42 GLY H 1.0 1.8 2.9 673 673 A 43 GLY H A 42 GLY HAy 1.0 1.8 3.4 674 674 A 42 GLY H A 44 VAL H 1.0 1.8 5.0 675 675 A 42 GLY HAy A 45 MET H 1.0 1.8 5.1 676 676 A 42 GLY H A 45 MET H 1.0 1.8 6.0 677 677 A 42 GLY H A 74 LYS HE3 1.0 1.8 5.5 678 678 A 42 GLY HAy A 75 THR HB 1.0 1.8 2.7 679 679 A 42 GLY H A 75 THR HB 1.0 1.8 2.9 680 680 A 42 GLY H A 75 THR HA 1.0 1.8 5.0 681 681 A 42 GLY H A 75 THR H 1.0 1.8 6.0 682 682 A 42 GLY H A 75 THR HG2% 1.0 1.8 3.8 683 683 A 43 GLY HA2 A 44 VAL H 1.0 1.8 3.5 684 684 A 43 GLY H A 44 VAL H 1.0 1.8 2.9 685 685 A 43 GLY HA3 A 44 VAL H 1.0 1.8 2.9 686 686 A 43 GLY H A 44 VAL HB 1.0 1.8 3.5 687 687 A 44 VAL HG1% A 43 GLY H 1.0 1.8 5.0 688 688 A 43 GLY H A 45 MET H 1.0 1.8 3.4 689 689 A 43 GLY HA2 A 46 LEU H 1.0 1.8 2.9 690 690 A 43 GLY HA2 A 46 LEU HG 1.0 1.8 6.0 691 691 A 43 GLY HA3 A 46 LEU HG 1.0 1.8 5.0 692 692 A 43 GLY HA3 A 46 LEU H 1.0 1.8 4.4 693 693 A 43 GLY H A 46 LEU H 1.0 1.8 5.0 694 694 A 43 GLY H A 46 LEU HG 1.0 1.8 5.0 695 695 A 47 LYS H A 43 GLY H 1.0 1.8 6.0 696 696 A 43 GLY H A 75 THR HB 1.0 1.8 6.0 697 697 A 44 VAL HA A 44 VAL HG2% 1.0 1.8 3.2 698 698 A 44 VAL HG1% A 44 VAL HA 1.0 1.8 3.2 699 699 A 44 VAL HB A 44 VAL H 1.0 1.8 2.9 700 700 A 44 VAL HG1% A 44 VAL H 1.0 1.8 3.4 701 701 A 44 VAL H A 44 VAL HG2% 1.0 1.8 3.4 702 702 A 45 MET H A 44 VAL HG2% 1.0 1.8 4.2 703 703 A 44 VAL HB A 45 MET H 1.0 1.8 3.5 704 704 A 44 VAL HA A 45 MET H 1.0 1.8 3.5 705 705 A 44 VAL H A 45 MET H 1.0 1.8 2.9 706 706 A 44 VAL H A 46 LEU HG 1.0 1.8 5.0 707 707 A 44 VAL HA A 46 LEU H 1.0 1.8 5.0 708 708 A 44 VAL HA A 47 LYS HB2 1.0 1.8 3.5 709 709 A 47 LYS H A 44 VAL HA 1.0 1.8 5.0 710 710 A 47 LYS H A 44 VAL H 1.0 1.8 5.0 711 711 A 47 LYS H A 44 VAL HB 1.0 1.8 5.8 712 712 A 48 LEU HD2% A 44 VAL HG1% 1.0 1.8 3.7 713 713 A 90 LEU H A 44 VAL HG1% 1.0 1.8 6.4 714 714 A 45 MET HA A 45 MET HE% 1.0 1.8 5.5 715 715 A 45 MET HA A 45 MET HGy 1.0 1.8 3.7 716 716 A 45 MET H A 45 MET HE% 1.0 1.8 4.0 717 717 A 45 MET H A 45 MET HBy 1.0 1.8 3.3 718 718 A 45 MET H A 45 MET HGy 1.0 1.8 2.9 719 719 A 45 MET HE% A 45 MET HGy 1.0 1.8 6.5 720 720 A 45 MET HE% A 45 MET HBy 1.0 1.8 3.2 721 721 A 46 LEU H A 45 MET HA 1.0 1.8 3.5 722 722 A 46 LEU H A 45 MET HGy 1.0 1.8 2.9 723 723 A 46 LEU H A 45 MET HBy 1.0 1.8 4.2 724 724 A 45 MET H A 46 LEU H 1.0 1.8 2.9 725 725 A 45 MET H A 46 LEU HG 1.0 1.8 4.0 726 726 A 48 LEU HD1% A 45 MET HA 1.0 1.8 5.5 727 727 A 48 LEU HD2% A 45 MET HA 1.0 1.8 5.5 728 728 A 48 LEU HD2% A 45 MET HA 1.0 1.8 6.5 729 729 A 48 LEU HBy A 45 MET HA 1.0 1.8 2.7 730 730 A 48 LEU H A 45 MET H 1.0 1.8 4.5 731 731 A 48 LEU H A 45 MET HBy 1.0 1.8 5.3 732 732 A 48 LEU H A 45 MET HA 1.0 1.8 3.4 733 733 A 48 LEU H A 45 MET HGy 1.0 1.8 6.0 734 734 A 48 LEU HBy A 45 MET H 1.0 1.8 6.0 735 735 A 48 LEU HD1% A 45 MET H 1.0 1.8 6.9 736 736 A 45 MET HA A 49 VAL HG2% 1.0 1.8 3.2 737 737 A 49 VAL H A 45 MET HA 1.0 1.8 6.0 738 738 A 45 MET HE% A 63 LEU H 1.0 1.8 3.4 739 739 A 45 MET H A 63 LEU HD2% 1.0 1.8 3.4 740 740 A 45 MET HGy A 63 LEU HD2% 1.0 1.8 3.8 741 741 A 46 LEU HG A 46 LEU HA 1.0 1.8 3.1 742 742 A 46 LEU HA A 46 LEU HD1% 1.0 1.8 3.9 743 743 A 46 LEU HA A 46 LEU HD2% 1.0 1.8 3.2 744 744 A 46 LEU H A 46 LEU HG 1.0 1.8 6.0 745 745 A 46 LEU H A 46 LEU HBy 1.0 1.8 6.0 746 746 A 46 LEU H A 46 LEU HD1% 1.0 1.8 3.4 747 747 A 46 LEU H A 46 LEU HD2% 1.0 1.8 3.4 748 748 A 46 LEU HD1% A 46 LEU HBy 1.0 1.8 3.2 749 749 A 46 LEU HD2% A 46 LEU HBy 1.0 1.8 3.2 750 750 A 47 LYS H A 46 LEU HD1% 1.0 1.8 4.0 751 751 A 47 LYS H A 46 LEU H 1.0 1.8 2.9 752 752 A 47 LYS H A 46 LEU HBy 1.0 1.8 3.4 753 753 A 47 LYS H A 46 LEU HA 1.0 1.8 3.5 754 754 A 48 LEU H A 46 LEU H 1.0 1.8 3.5 755 755 A 48 LEU HD2% A 46 LEU H 1.0 1.8 6.5 756 756 A 48 LEU HD1% A 46 LEU H 1.0 1.8 6.9 757 757 A 46 LEU HA A 49 VAL HA 1.0 1.8 6.0 758 758 A 49 VAL H A 46 LEU HA 1.0 1.8 2.9 759 759 A 49 VAL H A 46 LEU H 1.0 1.8 4.1 760 760 A 50 GLU H A 46 LEU HA 1.0 1.8 2.9 761 761 A 47 LYS HA A 47 LYS HDy 1.0 1.8 2.7 762 762 A 47 LYS HA A 47 LYS HGy 1.0 1.8 2.7 763 763 A 47 LYS HA A 47 LYS HEy 1.0 1.8 6.0 764 764 A 47 LYS H A 47 LYS HB2 1.0 1.8 6.0 765 765 A 47 LYS H A 47 LYS HEy 1.0 1.8 6.0 766 766 A 47 LYS H A 47 LYS HB3 1.0 1.8 2.9 767 767 A 47 LYS H A 47 LYS HDy 1.0 1.8 3.9 768 768 A 47 LYS H A 47 LYS HGy 1.0 1.8 4.4 769 769 A 47 LYS HGy A 47 LYS HEy 1.0 1.8 3.6 770 770 A 47 LYS HEy A 47 LYS HB3 1.0 1.8 3.4 771 771 A 47 LYS HB2 A 47 LYS HEy 1.0 1.8 6.0 772 772 A 47 LYS HB2 A 47 LYS HDy 1.0 1.8 6.0 773 773 A 47 LYS HDy A 47 LYS HB3 1.0 1.8 6.0 774 774 A 47 LYS H A 48 LEU HA 1.0 1.8 5.5 775 775 A 48 LEU HA A 47 LYS HGy 1.0 1.8 4.2 776 776 A 48 LEU H A 47 LYS HB2 1.0 1.8 3.7 777 777 A 48 LEU H A 47 LYS HB3 1.0 1.8 2.9 778 778 A 48 LEU H A 47 LYS HGy 1.0 1.8 4.0 779 779 A 47 LYS H A 48 LEU H 1.0 1.8 2.9 780 780 A 48 LEU H A 47 LYS HA 1.0 1.8 3.6 781 781 A 50 GLU H A 47 LYS HA 1.0 1.8 3.8 782 782 A 48 LEU HD2% A 48 LEU HA 1.0 1.8 3.9 783 783 A 48 LEU HD1% A 48 LEU HA 1.0 1.8 3.2 784 784 A 48 LEU HA A 48 LEU HG 1.0 1.8 3.4 785 785 A 48 LEU H A 48 LEU HG 1.0 1.8 4.2 786 786 A 48 LEU HD2% A 48 LEU H 1.0 1.8 4.2 787 787 A 48 LEU H A 48 LEU HBy 1.0 1.8 2.9 788 788 A 48 LEU HD1% A 48 LEU H 1.0 1.8 4.1 789 789 A 48 LEU HD2% A 48 LEU HBy 1.0 1.8 3.2 790 790 A 48 LEU HD1% A 48 LEU HBy 1.0 1.8 5.5 791 791 A 48 LEU H A 49 VAL HA 1.0 1.8 6.0 792 792 A 48 LEU HBy A 49 VAL HA 1.0 1.8 5.0 793 793 A 48 LEU HA A 49 VAL H 1.0 1.8 3.5 794 794 A 48 LEU HA A 49 VAL HG2% 1.0 1.8 4.8 795 795 A 48 LEU H A 49 VAL H 1.0 1.8 2.9 796 796 A 48 LEU HBy A 49 VAL H 1.0 1.8 2.9 797 797 A 48 LEU HD1% A 49 VAL H 1.0 1.8 6.5 798 798 A 48 LEU HD2% A 49 VAL H 1.0 1.8 5.5 799 799 A 49 VAL H A 48 LEU HG 1.0 1.8 2.9 800 800 A 48 LEU HBy A 50 GLU H 1.0 1.8 6.0 801 801 A 48 LEU HD1% A 50 GLU H 1.0 1.8 6.5 802 802 A 48 LEU HD2% A 50 GLU H 1.0 1.8 6.5 803 803 A 50 GLU H A 48 LEU HG 1.0 1.8 6.0 804 804 A 48 LEU HA A 50 GLU H 1.0 1.8 6.0 805 805 A 48 LEU HA A 51 LYS H 1.0 1.8 3.5 806 806 A 48 LEU HA A 51 LYS HBy 1.0 1.8 3.7 807 807 A 48 LEU H A 51 LYS H 1.0 1.8 4.1 808 808 A 48 LEU HD1% A 51 LYS H 1.0 1.8 6.5 809 809 A 48 LEU H A 51 LYS H 1.0 1.8 6.0 810 810 A 48 LEU HD2% A 51 LYS H 1.0 1.8 6.1 811 811 A 48 LEU HD1% A 52 LEU H 1.0 1.8 6.5 812 812 A 48 LEU HD2% A 52 LEU H 1.0 1.8 5.3 813 813 A 48 LEU HA A 52 LEU H 1.0 1.8 6.0 814 814 A 48 LEU H A 52 LEU H 1.0 1.8 6.0 815 815 A 48 LEU HD2% A 63 LEU H 1.0 1.8 6.5 816 816 A 90 LEU HD2% A 48 LEU HD2% 1.0 1.8 6.5 817 817 A 48 LEU HD2% A 92 PHE H 1.0 1.8 6.5 818 818 A 48 LEU HD2% A 92 PHE HB2 1.0 1.8 6.5 819 819 A 48 LEU HD2% A 92 PHE HB2 1.0 1.8 5.5 820 820 A 48 LEU HD2% A 93 THR H 1.0 1.8 6.5 821 821 A 49 VAL HG2% A 49 VAL HA 1.0 1.8 3.2 822 822 A 49 VAL H A 49 VAL HB 1.0 1.8 2.9 823 823 A 49 VAL H A 49 VAL HG2% 1.0 1.8 3.4 824 824 A 49 VAL HA A 50 GLU HA 1.0 1.8 6.0 825 825 A 50 GLU H A 49 VAL HA 1.0 1.8 3.5 826 826 A 50 GLU H A 49 VAL HB 1.0 1.8 2.9 827 827 A 49 VAL H A 50 GLU H 1.0 1.8 6.0 828 828 A 50 GLU H A 49 VAL HG2% 1.0 1.8 3.8 829 829 A 49 VAL H A 50 GLU HG2 1.0 1.8 6.0 830 830 A 49 VAL H A 50 GLU HA 1.0 1.8 5.3 831 831 A 49 VAL HA A 52 LEU H 1.0 1.8 3.5 832 832 A 49 VAL HG2% A 58 TRP H 1.0 1.8 4.5 833 833 A 49 VAL HG2% A 58 TRP HB2 1.0 1.8 5.5 834 834 A 49 VAL HG2% A 58 TRP HB3 1.0 1.8 5.5 835 835 A 50 GLU HA A 50 GLU HG3 1.0 1.8 2.7 836 836 A 50 GLU HA A 50 GLU HG2 1.0 1.8 2.7 837 837 A 50 GLU H A 50 GLU HB2 1.0 1.8 2.9 838 838 A 50 GLU H A 50 GLU HG2 1.0 1.8 3.4 839 839 A 50 GLU H A 50 GLU HB3 1.0 1.8 3.6 840 840 A 50 GLU H A 50 GLU HG3 1.0 1.8 2.9 841 841 A 50 GLU H A 51 LYS HA 1.0 1.8 6.0 842 842 A 50 GLU H A 51 LYS H 1.0 1.8 2.9 843 843 A 51 LYS H A 50 GLU HB3 1.0 1.8 3.5 844 844 A 51 LYS H A 50 GLU HB2 1.0 1.8 2.9 845 845 A 51 LYS H A 50 GLU HA 1.0 1.8 3.6 846 846 A 51 LYS HDy A 51 LYS HA 1.0 1.8 4.4 847 847 A 51 LYS HEy A 51 LYS HA 1.0 1.8 5.0 848 848 A 51 LYS HA A 51 LYS HGy 1.0 1.8 2.7 849 849 A 51 LYS HEy A 51 LYS HBy 1.0 1.8 2.7 850 850 A 51 LYS HEy A 51 LYS H 1.0 1.8 5.1 851 851 A 51 LYS HEy A 51 LYS HGy 1.0 1.8 6.0 852 852 A 51 LYS HDy A 51 LYS H 1.0 1.8 4.0 853 853 A 51 LYS H A 51 LYS HBy 1.0 1.8 3.4 854 854 A 51 LYS H A 51 LYS HGy 1.0 1.8 2.9 855 855 A 51 LYS HDy A 51 LYS HBy 1.0 1.8 3.2 856 856 A 51 LYS HBy A 52 LEU H 1.0 1.8 2.9 857 857 A 51 LYS H A 52 LEU H 1.0 1.8 2.9 858 858 A 52 LEU H A 51 LYS HA 1.0 1.8 3.6 859 859 A 52 LEU HA A 52 LEU HD1% 1.0 1.8 6.5 860 860 A 52 LEU HA A 52 LEU HD2% 1.0 1.8 3.2 861 861 A 52 LEU H A 52 LEU HG 1.0 1.8 2.9 862 862 A 52 LEU H A 52 LEU HD1% 1.0 1.8 3.4 863 863 A 52 LEU H A 52 LEU HD2% 1.0 1.8 3.4 864 864 A 52 LEU HA A 52 LEU HG 1.0 1.8 3.1 865 865 A 56 LYS HA A 56 LYS HEy 1.0 1.8 6.0 866 866 A 56 LYS HA A 56 LYS HGy 1.0 1.8 2.7 867 867 A 56 LYS HA A 56 LYS HDy 1.0 1.8 2.7 868 868 A 56 LYS HA A 56 LYS HE2 1.0 1.8 6.0 869 869 A 56 LYS HE2 A 56 LYS H 1.0 1.8 6.0 870 870 A 56 LYS HGy A 56 LYS H 1.0 1.8 6.0 871 871 A 56 LYS H A 56 LYS HB2 1.0 1.8 5.0 872 872 A 56 LYS HDy A 56 LYS H 1.0 1.8 3.5 873 873 A 56 LYS H A 56 LYS HBy 1.0 1.8 3.5 874 874 A 56 LYS HEy A 56 LYS H 1.0 1.8 6.0 875 875 A 56 LYS HE2 A 56 LYS HBy 1.0 1.8 5.0 876 876 A 56 LYS HE2 A 56 LYS HB2 1.0 1.8 5.0 877 877 A 56 LYS HGy A 56 LYS HE2 1.0 1.8 6.0 878 878 A 56 LYS HEy A 56 LYS HBy 1.0 1.8 3.4 879 879 A 56 LYS HEy A 56 LYS HB2 1.0 1.8 2.7 880 880 A 56 LYS HEy A 56 LYS HGy 1.0 1.8 5.0 881 881 A 56 LYS HDy A 56 LYS HBy 1.0 1.8 3.6 882 882 A 56 LYS HDy A 56 LYS HB2 1.0 1.8 2.7 883 883 A 56 LYS HA A 57 ASP HB3 1.0 1.8 5.6 884 884 A 56 LYS HA A 57 ASP HB2 1.0 1.8 5.0 885 885 A 56 LYS HB2 A 57 ASP H 1.0 1.8 5.0 886 886 A 56 LYS HA A 57 ASP H 1.0 1.8 2.9 887 887 A 56 LYS HBy A 57 ASP H 1.0 1.8 3.5 888 888 A 56 LYS H A 57 ASP H 1.0 1.8 6.0 889 889 A 57 ASP HB2 A 57 ASP H 1.0 1.8 2.9 890 890 A 57 ASP HB3 A 57 ASP H 1.0 1.8 3.9 891 891 A 58 TRP H A 57 ASP HA 1.0 1.8 2.9 892 892 A 58 TRP H A 57 ASP HB3 1.0 1.8 3.5 893 893 A 58 TRP H A 57 ASP HB2 1.0 1.8 3.5 894 894 A 58 TRP H A 57 ASP H 1.0 1.8 6.0 895 895 A 57 ASP HB2 A 60 ASP H 1.0 1.8 6.0 896 896 A 57 ASP HA A 60 ASP H 1.0 1.8 6.0 897 897 A 57 ASP HB2 A 61 HIS H 1.0 1.8 2.9 898 898 A 58 TRP H A 58 TRP HB3 1.0 1.8 3.5 899 899 A 58 TRP H A 58 TRP HB2 1.0 1.8 2.9 900 900 A 58 TRP H A 59 SER H 1.0 1.8 2.9 901 901 A 58 TRP H A 59 SER HA 1.0 1.8 6.0 902 902 A 58 TRP HB2 A 59 SER H 1.0 1.8 2.9 903 903 A 59 SER H A 58 TRP HA 1.0 1.8 3.5 904 904 A 58 TRP HB3 A 59 SER H 1.0 1.8 2.9 905 905 A 58 TRP HB3 A 61 HIS H 1.0 1.8 6.0 906 906 A 59 SER H A 59 SER HB3 1.0 1.8 6.0 907 907 A 59 SER H A 59 SER HB2 1.0 1.8 6.0 908 908 A 60 ASP H A 59 SER HB3 1.0 1.8 6.0 909 909 A 60 ASP H A 59 SER HB2 1.0 1.8 6.0 910 910 A 60 ASP H A 59 SER HA 1.0 1.8 6.0 911 911 A 60 ASP H A 59 SER H 1.0 1.8 6.0 912 912 A 61 HIS H A 59 SER HA 1.0 1.8 5.0 913 913 A 61 HIS H A 59 SER H 1.0 1.8 5.0 914 914 A 60 ASP H A 60 ASP HBy 1.0 1.8 2.9 915 915 A 61 HIS H A 60 ASP HBy 1.0 1.8 2.9 916 916 A 60 ASP H A 61 HIS H 1.0 1.8 2.9 917 917 A 61 HIS H A 61 HIS HB3 1.0 1.8 3.5 918 918 A 61 HIS H A 61 HIS HB2 1.0 1.8 3.5 919 919 A 62 ALA H A 61 HIS HA 1.0 1.8 6.0 920 920 A 62 ALA H A 61 HIS H 1.0 1.8 4.4 921 921 A 62 ALA H A 61 HIS HB2 1.0 1.8 6.0 922 922 A 61 HIS H A 62 ALA HB% 1.0 1.8 6.5 923 923 A 63 LEU HD2% A 61 HIS H 1.0 1.8 6.5 924 924 A 63 LEU H A 61 HIS HB2 1.0 1.8 6.4 925 925 A 62 ALA H A 62 ALA HB% 1.0 1.8 3.4 926 926 A 63 LEU HD1% A 62 ALA H 1.0 1.8 4.0 927 927 A 62 ALA H A 63 LEU H 1.0 1.8 5.0 928 928 A 63 LEU H A 62 ALA HB% 1.0 1.8 3.4 929 929 A 62 ALA HB% A 63 LEU HA 1.0 1.8 4.2 930 930 A 64 TRP H A 62 ALA HB% 1.0 1.8 6.5 931 931 A 62 ALA HB% A 71 TRP H 1.0 1.8 6.5 932 932 A 62 ALA H A 93 THR H 1.0 1.8 2.9 933 933 A 62 ALA HB% A 71 TRP H 1.0 1.8 6.5 934 934 A 92 PHE H A 62 ALA HB% 1.0 1.8 6.9 935 935 A 92 PHE HA A 62 ALA H 1.0 1.8 4.6 936 936 A 92 PHE HA A 62 ALA HB% 1.0 1.8 5.0 937 937 A 62 ALA H A 93 THR H 1.0 1.8 2.9 938 938 A 62 ALA H A 93 THR HG2% 1.0 1.8 3.4 939 939 A 93 THR HA A 62 ALA HB% 1.0 1.8 4.9 940 940 A 62 ALA H A 94 PRO HA 1.0 1.8 3.3 941 941 A 63 LEU HD1% A 63 LEU HA 1.0 1.8 3.2 942 942 A 63 LEU HD2% A 63 LEU HA 1.0 1.8 3.2 943 943 A 63 LEU HA A 63 LEU HG 1.0 1.8 6.0 944 944 A 63 LEU H A 63 LEU HG 1.0 1.8 3.8 945 945 A 63 LEU HD1% A 63 LEU H 1.0 1.8 3.4 946 946 A 63 LEU H A 63 LEU HD2% 1.0 1.8 3.4 947 947 A 63 LEU H A 63 LEU HBy 1.0 1.8 3.7 948 948 A 63 LEU HD1% A 63 LEU HBy 1.0 1.8 3.8 949 949 A 63 LEU HD2% A 63 LEU HBy 1.0 1.8 3.8 950 950 A 64 TRP H A 63 LEU HBy 1.0 1.8 3.7 951 951 A 64 TRP H A 63 LEU HA 1.0 1.8 2.9 952 952 A 63 LEU HD1% A 64 TRP H 1.0 1.8 3.9 953 953 A 64 TRP H A 63 LEU H 1.0 1.8 4.3 954 954 A 67 LYS HG2 A 69 ARG H 1.0 1.8 5.0 955 955 A 63 LEU H A 70 THR HG2% 1.0 1.8 6.7 956 956 A 72 LEU H A 63 LEU HD2% 1.0 1.8 3.4 957 957 A 72 LEU HD2% A 63 LEU H 1.0 1.8 6.5 958 958 A 72 LEU HG A 63 LEU H 1.0 1.8 5.0 959 959 A 63 LEU H A 72 LEU HD1% 1.0 1.8 4.0 960 960 A 63 LEU HBy A 72 LEU HD1% 1.0 1.8 6.5 961 961 A 63 LEU HG A 72 LEU HD1% 1.0 1.8 3.2 962 962 A 90 LEU HA A 63 LEU HG 1.0 1.8 6.2 963 963 A 63 LEU HD2% A 90 LEU HB3 1.0 1.8 6.5 964 964 A 63 LEU HD1% A 90 LEU HB3 1.0 1.8 6.5 965 965 A 91 GLN HA A 63 LEU HD1% 1.0 1.8 5.5 966 966 A 91 GLN H A 63 LEU HD1% 1.0 1.8 3.9 967 967 A 91 GLN H A 63 LEU HA 1.0 1.8 4.4 968 968 A 92 PHE H A 63 LEU HA 1.0 1.8 4.1 969 969 A 63 LEU HD1% A 92 PHE H 1.0 1.8 5.5 970 970 A 93 THR H A 63 LEU HG 1.0 1.8 6.0 971 971 A 63 LEU HD1% A 93 THR H 1.0 1.8 3.4 972 972 A 93 THR H A 63 LEU HA 1.0 1.8 2.9 973 973 A 63 LEU H A 93 THR H 1.0 1.8 6.0 974 974 A 64 TRP H A 64 TRP HB2 1.0 1.8 2.9 975 975 A 64 TRP H A 64 TRP HB3 1.0 1.8 2.9 976 976 A 64 TRP HB3 A 65 TRP H 1.0 1.8 5.0 977 977 A 64 TRP HB2 A 65 TRP H 1.0 1.8 4.5 978 978 A 64 TRP H A 65 TRP H 1.0 1.8 6.0 979 979 A 90 LEU HA A 64 TRP H 1.0 1.8 5.8 980 980 A 91 GLN H A 64 TRP H 1.0 1.8 3.7 981 981 A 92 PHE HA A 64 TRP H 1.0 1.8 3.6 982 982 A 92 PHE HB3 A 64 TRP H 1.0 1.8 5.3 983 983 A 92 PHE H A 64 TRP H 1.0 1.8 6.0 984 984 A 64 TRP H A 93 THR H 1.0 1.8 5.0 985 985 A 64 TRP H A 93 THR HG2% 1.0 1.8 3.4 986 986 A 64 TRP H A 93 THR HG1 1.0 1.8 4.8 987 987 A 65 TRP H A 65 TRP HB3 1.0 1.8 3.8 988 988 A 65 TRP H A 65 TRP HB2 1.0 1.8 2.9 989 989 A 65 TRP H A 66 GLU H 1.0 1.8 6.0 990 990 A 65 TRP HB2 A 66 GLU H 1.0 1.8 4.6 991 991 A 65 TRP HB3 A 66 GLU H 1.0 1.8 4.2 992 992 A 66 GLU H A 65 TRP HA 1.0 1.8 2.9 993 993 A 65 TRP HA A 67 LYS H 1.0 1.8 3.8 994 994 A 65 TRP H A 67 LYS H 1.0 1.8 6.0 995 995 A 65 TRP HA A 67 LYS HBy 1.0 1.8 5.7 996 996 A 65 TRP H A 70 THR HB 1.0 1.8 6.0 997 997 A 65 TRP H A 70 THR H 1.0 1.8 2.9 998 998 A 65 TRP HB2 A 70 THR H 1.0 1.8 6.0 999 999 A 65 TRP HB3 A 70 THR H 1.0 1.8 4.0 1000 1000 A 70 THR HG2% A 65 TRP H 1.0 1.8 3.4 1001 1001 A 71 TRP H A 65 TRP H 1.0 1.8 6.0 1002 1002 A 72 LEU HD1% A 65 TRP H 1.0 1.8 5.5 1003 1003 A 72 LEU HD2% A 65 TRP H 1.0 1.8 4.0 1004 1004 A 72 LEU H A 65 TRP H 1.0 1.8 5.0 1005 1005 A 72 LEU HG A 65 TRP HA 1.0 1.8 6.0 1006 1006 A 72 LEU HD1% A 65 TRP HB2 1.0 1.8 3.8 1007 1007 A 72 LEU HD2% A 65 TRP HB2 1.0 1.8 4.4 1008 1008 A 65 TRP H A 73 LEU HD2% 1.0 1.8 6.6 1009 1009 A 90 LEU HD2% A 65 TRP H 1.0 1.8 5.0 1010 1010 A 90 LEU HD2% A 65 TRP HB2 1.0 1.8 3.8 1011 1011 A 91 GLN H A 65 TRP HB2 1.0 1.8 6.0 1012 1012 A 91 GLN HG3 A 65 TRP HB2 1.0 1.8 5.8 1013 1013 A 66 GLU H A 66 GLU HG3 1.0 1.8 2.9 1014 1014 A 66 GLU H A 66 GLU HBy 1.0 1.8 2.9 1015 1015 A 66 GLU H A 66 GLU HG2 1.0 1.8 2.9 1016 1016 A 66 GLU HG3 A 66 GLU HA 1.0 1.8 5.0 1017 1017 A 66 GLU HG2 A 66 GLU HA 1.0 1.8 6.0 1018 1018 A 66 GLU H A 67 LYS H 1.0 1.8 3.5 1019 1019 A 66 GLU HBy A 67 LYS HA 1.0 1.8 6.0 1020 1020 A 67 LYS H A 66 GLU HA 1.0 1.8 5.0 1021 1021 A 67 LYS H A 66 GLU HBy 1.0 1.8 4.2 1022 1022 A 67 LYS H A 66 GLU HG3 1.0 1.8 6.0 1023 1023 A 66 GLU HBy A 69 ARG HA 1.0 1.8 6.0 1024 1024 A 66 GLU H A 70 THR H 1.0 1.8 6.0 1025 1025 A 72 LEU HD1% A 66 GLU H 1.0 1.8 6.5 1026 1026 A 67 LYS HA A 67 LYS HEy 1.0 1.8 5.0 1027 1027 A 67 LYS HA A 67 LYS HDy 1.0 1.8 4.2 1028 1028 A 67 LYS HA A 67 LYS HGy 1.0 1.8 2.7 1029 1029 A 67 LYS HEy A 67 LYS HGy 1.0 1.8 2.7 1030 1030 A 67 LYS H A 67 LYS HEy 1.0 1.8 6.5 1031 1031 A 67 LYS H A 67 LYS HDy 1.0 1.8 4.8 1032 1032 A 67 LYS H A 67 LYS HGy 1.0 1.8 4.3 1033 1033 A 67 LYS H A 67 LYS HBy 1.0 1.8 2.9 1034 1034 A 67 LYS HBy A 67 LYS HDy 1.0 1.8 3.6 1035 1035 A 67 LYS HBy A 67 LYS HEy 1.0 1.8 6.0 1036 1036 A 67 LYS HA A 68 LYS H 1.0 1.8 6.0 1037 1037 A 67 LYS HBy A 68 LYS H 1.0 1.8 2.9 1038 1038 A 67 LYS H A 68 LYS HG2 1.0 1.8 6.0 1039 1039 A 67 LYS H A 68 LYS HA 1.0 1.8 6.0 1040 1040 A 67 LYS H A 68 LYS H 1.0 1.8 5.0 1041 1041 A 67 LYS HA A 69 ARG HDy 1.0 1.8 6.0 1042 1042 A 69 ARG H A 67 LYS HA 1.0 1.8 6.0 1043 1043 A 67 LYS HBy A 69 ARG HA 1.0 1.8 6.1 1044 1044 A 69 ARG H A 67 LYS H 1.0 1.8 5.0 1045 1045 A 67 LYS HG2 A 69 ARG H 1.0 1.8 5.0 1046 1046 A 72 LEU HD1% A 67 LYS H 1.0 1.8 6.5 1047 1047 A 67 LYS H A 88 ALA HA 1.0 1.8 6.0 1048 1048 A 90 LEU HD2% A 67 LYS H 1.0 1.8 4.7 1049 1049 A 69 ARG HA A 69 ARG HDy 1.0 1.8 3.6 1050 1050 A 69 ARG H A 69 ARG HB3 1.0 1.8 4.2 1051 1051 A 69 ARG H A 69 ARG HB2 1.0 1.8 3.9 1052 1052 A 69 ARG H A 69 ARG HDy 1.0 1.8 2.9 1053 1053 A 69 ARG HDy A 69 ARG HB2 1.0 1.8 6.0 1054 1054 A 69 ARG HDy A 69 ARG HB3 1.0 1.8 3.7 1055 1055 A 70 THR HB A 69 ARG HDy 1.0 1.8 6.1 1056 1056 A 70 THR H A 69 ARG HA 1.0 1.8 2.9 1057 1057 A 69 ARG H A 70 THR H 1.0 1.8 2.9 1058 1058 A 70 THR H A 69 ARG HB2 1.0 1.8 4.4 1059 1059 A 70 THR H A 69 ARG HB3 1.0 1.8 4.8 1060 1060 A 70 THR HB A 70 THR H 1.0 1.8 2.9 1061 1061 A 70 THR HG2% A 70 THR H 1.0 1.8 3.4 1062 1062 A 70 THR HG2% A 70 THR HA 1.0 1.8 3.2 1063 1063 A 71 TRP H A 70 THR HB 1.0 1.8 4.5 1064 1064 A 71 TRP H A 70 THR HG2% 1.0 1.8 3.4 1065 1065 A 71 TRP H A 70 THR HA 1.0 1.8 2.9 1066 1066 A 71 TRP H A 70 THR H 1.0 1.8 4.1 1067 1067 A 72 LEU HD2% A 70 THR HB 1.0 1.8 5.5 1068 1068 A 72 LEU H A 70 THR HG2% 1.0 1.8 4.4 1069 1069 A 71 TRP H A 71 TRP HB2 1.0 1.8 2.9 1070 1070 A 71 TRP H A 71 TRP HB3 1.0 1.8 3.5 1071 1071 A 72 LEU HD2% A 71 TRP H 1.0 1.8 5.5 1072 1072 A 71 TRP H A 72 LEU HD1% 1.0 1.8 6.5 1073 1073 A 72 LEU H A 71 TRP H 1.0 1.8 5.0 1074 1074 A 72 LEU H A 71 TRP HB3 1.0 1.8 2.9 1075 1075 A 72 LEU H A 71 TRP HB2 1.0 1.8 3.3 1076 1076 A 71 TRP H A 73 LEU HD1% 1.0 1.8 5.5 1077 1077 A 71 TRP H A 73 LEU HD2% 1.0 1.8 5.5 1078 1078 A 73 LEU H A 71 TRP HB2 1.0 1.8 5.0 1079 1079 A 72 LEU H A 72 LEU HG 1.0 1.8 2.9 1080 1080 A 72 LEU H A 72 LEU HD1% 1.0 1.8 3.4 1081 1081 A 72 LEU HD2% A 72 LEU H 1.0 1.8 3.4 1082 1082 A 72 LEU H A 72 LEU HBy 1.0 1.8 3.7 1083 1083 A 72 LEU HD2% A 72 LEU HA 1.0 1.8 3.8 1084 1084 A 72 LEU HD2% A 72 LEU HBy 1.0 1.8 6.5 1085 1085 A 72 LEU HD1% A 72 LEU HBy 1.0 1.8 5.5 1086 1086 A 72 LEU HD1% A 72 LEU HA 1.0 1.8 5.5 1087 1087 A 72 LEU HG A 72 LEU HA 1.0 1.8 6.0 1088 1088 A 72 LEU H A 73 LEU H 1.0 1.8 5.0 1089 1089 A 72 LEU H A 73 LEU HD2% 1.0 1.8 3.4 1090 1090 A 73 LEU H A 72 LEU HA 1.0 1.8 2.9 1091 1091 A 72 LEU HD2% A 73 LEU H 1.0 1.8 4.1 1092 1092 A 73 LEU H A 72 LEU HBy 1.0 1.8 5.0 1093 1093 A 72 LEU HD2% A 82 TYR HB2 1.0 1.8 6.5 1094 1094 A 72 LEU HD2% A 82 TYR HB3 1.0 1.8 5.5 1095 1095 A 73 LEU HD2% A 73 LEU HA 1.0 1.8 3.2 1096 1096 A 73 LEU HD1% A 73 LEU HA 1.0 1.8 5.5 1097 1097 A 73 LEU H A 73 LEU HD1% 1.0 1.8 3.4 1098 1098 A 73 LEU H A 73 LEU HD2% 1.0 1.8 3.4 1099 1099 A 73 LEU H A 73 LEU HBy 1.0 1.8 3.5 1100 1100 A 73 LEU HD2% A 73 LEU HBy 1.0 1.8 3.2 1101 1101 A 73 LEU HD1% A 73 LEU HBy 1.0 1.8 3.2 1102 1102 A 74 LYS H A 73 LEU HA 1.0 1.8 3.4 1103 1103 A 73 LEU H A 74 LYS H 1.0 1.8 2.9 1104 1104 A 74 LYS H A 73 LEU HBy 1.0 1.8 3.7 1105 1105 A 74 LYS HA A 74 LYS HD2 1.0 1.8 5.0 1106 1106 A 74 LYS HA A 74 LYS HE2 1.0 1.8 4.2 1107 1107 A 74 LYS HE3 A 74 LYS HA 1.0 1.8 3.6 1108 1108 A 74 LYS HA A 74 LYS HG2 1.0 1.8 5.0 1109 1109 A 74 LYS HA A 74 LYS HG3 1.0 1.8 5.0 1110 1110 A 74 LYS HA A 74 LYS HD3 1.0 1.8 6.0 1111 1111 A 74 LYS H A 74 LYS HBy 1.0 1.8 2.9 1112 1112 A 74 LYS H A 74 LYS HE3 1.0 1.8 5.0 1113 1113 A 74 LYS H A 74 LYS HE2 1.0 1.8 6.0 1114 1114 A 74 LYS H A 74 LYS HG2 1.0 1.8 3.4 1115 1115 A 74 LYS H A 74 LYS HG3 1.0 1.8 3.9 1116 1116 A 74 LYS H A 74 LYS HD3 1.0 1.8 2.9 1117 1117 A 74 LYS H A 74 LYS HD2 1.0 1.8 3.5 1118 1118 A 74 LYS HE3 A 74 LYS HG2 1.0 1.8 3.4 1119 1119 A 74 LYS HE2 A 74 LYS HG2 1.0 1.8 3.5 1120 1120 A 74 LYS HE3 A 74 LYS HG3 1.0 1.8 3.6 1121 1121 A 74 LYS HE2 A 74 LYS HG3 1.0 1.8 4.2 1122 1122 A 74 LYS HE3 A 74 LYS HBy 1.0 1.8 3.3 1123 1123 A 74 LYS HE2 A 74 LYS HBy 1.0 1.8 3.3 1124 1124 A 74 LYS HD2 A 74 LYS HBy 1.0 1.8 6.0 1125 1125 A 74 LYS HD3 A 74 LYS HBy 1.0 1.8 3.3 1126 1126 A 75 THR H A 74 LYS HG3 1.0 1.8 4.4 1127 1127 A 74 LYS H A 75 THR H 1.0 1.8 4.7 1128 1128 A 75 THR H A 74 LYS HG2 1.0 1.8 3.5 1129 1129 A 75 THR H A 74 LYS HA 1.0 1.8 2.9 1130 1130 A 75 THR H A 74 LYS HBy 1.0 1.8 4.1 1131 1131 A 75 THR H A 74 LYS HE3 1.0 1.8 5.0 1132 1132 A 77 TRP H A 74 LYS HD3 1.0 1.8 5.0 1133 1133 A 77 TRP H A 74 LYS HG3 1.0 1.8 5.0 1134 1134 A 77 TRP H A 74 LYS HA 1.0 1.8 5.0 1135 1135 A 78 THR H A 74 LYS HE3 1.0 1.8 6.5 1136 1136 A 75 THR HB A 75 THR H 1.0 1.8 5.0 1137 1137 A 75 THR HA A 75 THR HG2% 1.0 1.8 3.2 1138 1138 A 75 THR H A 75 THR HG2% 1.0 1.8 3.4 1139 1139 A 75 THR HB A 76 HIS H 1.0 1.8 6.0 1140 1140 A 75 THR H A 76 HIS H 1.0 1.8 6.0 1141 1141 A 75 THR HA A 76 HIS H 1.0 1.8 6.0 1142 1142 A 77 TRP H A 75 THR HG2% 1.0 1.8 4.1 1143 1143 A 75 THR H A 77 TRP H 1.0 1.8 5.0 1144 1144 A 76 HIS H A 76 HIS HB2 1.0 1.8 6.0 1145 1145 A 76 HIS H A 76 HIS HB3 1.0 1.8 6.0 1146 1146 A 77 TRP H A 76 HIS HB2 1.0 1.8 5.0 1147 1147 A 77 TRP H A 76 HIS HB3 1.0 1.8 2.9 1148 1148 A 77 TRP H A 76 HIS H 1.0 1.8 5.0 1149 1149 A 77 TRP H A 76 HIS H 1.0 1.8 5.0 1150 1150 A 77 TRP H A 77 TRP HB2 1.0 1.8 2.9 1151 1151 A 77 TRP H A 77 TRP HB3 1.0 1.8 3.5 1152 1152 A 78 THR H A 77 TRP H 1.0 1.8 3.7 1153 1153 A 78 THR H A 77 TRP HB3 1.0 1.8 4.0 1154 1154 A 78 THR H A 77 TRP HB2 1.0 1.8 4.3 1155 1155 A 77 TRP H A 81 LYS HDy 1.0 1.8 6.0 1156 1156 A 77 TRP H A 81 LYS HEy 1.0 1.8 4.1 1157 1157 A 78 THR HG2% A 78 THR HA 1.0 1.8 6.5 1158 1158 A 78 THR HG2% A 78 THR H 1.0 1.8 3.4 1159 1159 A 78 THR HB A 78 THR H 1.0 1.8 3.5 1160 1160 A 79 LEU HD2% A 78 THR HB 1.0 1.8 6.5 1161 1161 A 79 LEU H A 78 THR HA 1.0 1.8 2.9 1162 1162 A 79 LEU H A 78 THR H 1.0 1.8 4.7 1163 1163 A 78 THR HB A 79 LEU H 1.0 1.8 2.9 1164 1164 A 78 THR HG2% A 79 LEU H 1.0 1.8 3.4 1165 1165 A 80 ASP H A 78 THR HB 1.0 1.8 2.9 1166 1166 A 80 ASP HB3 A 78 THR HB 1.0 1.8 6.0 1167 1167 A 78 THR HG2% A 80 ASP H 1.0 1.8 4.0 1168 1168 A 80 ASP H A 78 THR H 1.0 1.8 6.0 1169 1169 A 78 THR HB A 81 LYS H 1.0 1.8 5.0 1170 1170 A 78 THR H A 81 LYS HA 1.0 1.8 5.0 1171 1171 A 78 THR H A 81 LYS H 1.0 1.8 3.7 1172 1172 A 78 THR HG2% A 81 LYS H 1.0 1.8 4.0 1173 1173 A 78 THR H A 81 LYS HB2 1.0 1.8 2.9 1174 1174 A 78 THR H A 81 LYS HBy 1.0 1.8 3.7 1175 1175 A 78 THR H A 81 LYS HG2 1.0 1.8 5.0 1176 1176 A 78 THR H A 81 LYS HDy 1.0 1.8 2.9 1177 1177 A 78 THR H A 81 LYS HEy 1.0 1.8 2.9 1178 1178 A 79 LEU HA A 79 LEU HG 1.0 1.8 6.0 1179 1179 A 79 LEU HA A 79 LEU HD1% 1.0 1.8 3.6 1180 1180 A 79 LEU HD2% A 79 LEU HA 1.0 1.8 4.1 1181 1181 A 79 LEU HD2% A 79 LEU H 1.0 1.8 3.4 1182 1182 A 79 LEU H A 79 LEU HD1% 1.0 1.8 3.4 1183 1183 A 79 LEU H A 79 LEU HG 1.0 1.8 3.7 1184 1184 A 79 LEU HBy A 79 LEU H 1.0 1.8 3.6 1185 1185 A 79 LEU HD2% A 79 LEU HBy 1.0 1.8 5.5 1186 1186 A 79 LEU HBy A 79 LEU HD1% 1.0 1.8 5.5 1187 1187 A 80 ASP H A 79 LEU HA 1.0 1.8 3.4 1188 1188 A 80 ASP H A 79 LEU H 1.0 1.8 2.9 1189 1189 A 80 ASP HB3 A 79 LEU H 1.0 1.8 5.0 1190 1190 A 79 LEU HD2% A 80 ASP H 1.0 1.8 4.0 1191 1191 A 79 LEU HBy A 80 ASP H 1.0 1.8 3.7 1192 1192 A 81 LYS H A 79 LEU HA 1.0 1.8 5.0 1193 1193 A 81 LYS H A 79 LEU HG 1.0 1.8 6.0 1194 1194 A 82 TYR HB2 A 79 LEU HA 1.0 1.8 6.0 1195 1195 A 79 LEU H A 82 TYR H 1.0 1.8 6.0 1196 1196 A 79 LEU HA A 82 TYR H 1.0 1.8 3.5 1197 1197 A 79 LEU HBy A 83 GLY H 1.0 1.8 6.0 1198 1198 A 79 LEU HA A 83 GLY H 1.0 1.8 5.0 1199 1199 A 79 LEU HD1% A 83 GLY H 1.0 1.8 5.8 1200 1200 A 79 LEU HA A 84 ILE HD1% 1.0 1.8 3.2 1201 1201 A 79 LEU HA A 84 ILE HD1% 1.0 1.8 3.8 1202 1202 A 79 LEU HA A 84 ILE H 1.0 1.8 4.1 1203 1203 A 79 LEU H A 84 ILE HD1% 1.0 1.8 5.5 1204 1204 A 80 ASP HB3 A 80 ASP H 1.0 1.8 2.9 1205 1205 A 80 ASP H A 80 ASP HB2 1.0 1.8 2.9 1206 1206 A 80 ASP HB3 A 81 LYS H 1.0 1.8 2.9 1207 1207 A 81 LYS H A 80 ASP HA 1.0 1.8 3.5 1208 1208 A 80 ASP H A 81 LYS H 1.0 1.8 2.9 1209 1209 A 81 LYS H A 80 ASP HB2 1.0 1.8 4.0 1210 1210 A 80 ASP H A 81 LYS HD2 1.0 1.8 6.0 1211 1211 A 80 ASP H A 82 TYR H 1.0 1.8 6.0 1212 1212 A 82 TYR H A 80 ASP HB2 1.0 1.8 5.7 1213 1213 A 83 GLY H A 80 ASP HA 1.0 1.8 3.8 1214 1214 A 80 ASP H A 83 GLY H 1.0 1.8 4.5 1215 1215 A 80 ASP HB3 A 83 GLY H 1.0 1.8 5.0 1216 1216 A 83 GLY H A 80 ASP HB2 1.0 1.8 5.0 1217 1217 A 81 LYS HDy A 81 LYS HA 1.0 1.8 3.3 1218 1218 A 81 LYS HA A 81 LYS HG3 1.0 1.8 2.7 1219 1219 A 81 LYS HA A 81 LYS HG2 1.0 1.8 3.4 1220 1220 A 81 LYS HEy A 81 LYS HA 1.0 1.8 6.0 1221 1221 A 81 LYS H A 81 LYS HBy 1.0 1.8 3.5 1222 1222 A 81 LYS HEy A 81 LYS H 1.0 1.8 6.0 1223 1223 A 81 LYS H A 81 LYS HG2 1.0 1.8 4.4 1224 1224 A 81 LYS H A 81 LYS HG3 1.0 1.8 4.1 1225 1225 A 81 LYS H A 81 LYS HB2 1.0 1.8 2.9 1226 1226 A 81 LYS HDy A 81 LYS H 1.0 1.8 3.5 1227 1227 A 81 LYS HEy A 81 LYS HG2 1.0 1.8 3.3 1228 1228 A 81 LYS HEy A 81 LYS HBy 1.0 1.8 6.0 1229 1229 A 81 LYS HEy A 81 LYS HG3 1.0 1.8 3.4 1230 1230 A 81 LYS HEy A 81 LYS HB2 1.0 1.8 6.0 1231 1231 A 81 LYS HDy A 81 LYS HBy 1.0 1.8 6.0 1232 1232 A 81 LYS HDy A 81 LYS HB2 1.0 1.8 5.0 1233 1233 A 82 TYR HB2 A 81 LYS H 1.0 1.8 6.0 1234 1234 A 82 TYR HB3 A 81 LYS H 1.0 1.8 6.0 1235 1235 A 81 LYS H A 82 TYR H 1.0 1.8 2.9 1236 1236 A 81 LYS HA A 82 TYR H 1.0 1.8 3.5 1237 1237 A 81 LYS HG2 A 82 TYR H 1.0 1.8 5.0 1238 1238 A 81 LYS HBy A 82 TYR H 1.0 1.8 2.9 1239 1239 A 81 LYS HB2 A 82 TYR H 1.0 1.8 2.9 1240 1240 A 81 LYS HEy A 82 TYR H 1.0 1.8 5.9 1241 1241 A 81 LYS HB2 A 83 GLY H 1.0 1.8 6.0 1242 1242 A 81 LYS HA A 83 GLY H 1.0 1.8 4.6 1243 1243 A 84 ILE HG2% A 81 LYS H 1.0 1.8 6.2 1244 1244 A 82 TYR HB2 A 82 TYR H 1.0 1.8 6.0 1245 1245 A 82 TYR HB3 A 82 TYR H 1.0 1.8 5.0 1246 1246 A 82 TYR H A 83 GLY H 1.0 1.8 2.9 1247 1247 A 82 TYR H A 83 GLY H 1.0 1.8 2.9 1248 1248 A 83 GLY H A 82 TYR HA 1.0 1.8 3.5 1249 1249 A 82 TYR HB3 A 83 GLY H 1.0 1.8 3.5 1250 1250 A 82 TYR HB2 A 83 GLY H 1.0 1.8 4.1 1251 1251 A 82 TYR H A 84 ILE HD1% 1.0 1.8 4.9 1252 1252 A 82 TYR H A 84 ILE HG13 1.0 1.8 5.9 1253 1253 A 84 ILE HG2% A 82 TYR H 1.0 1.8 5.4 1254 1254 A 82 TYR HB2 A 84 ILE HD1% 1.0 1.8 3.2 1255 1255 A 82 TYR HB3 A 84 ILE HD1% 1.0 1.8 3.2 1256 1256 A 83 GLY HA3 A 84 ILE HA 1.0 1.8 6.0 1257 1257 A 84 ILE H A 83 GLY HA3 1.0 1.8 3.4 1258 1258 A 84 ILE H A 83 GLY HA2 1.0 1.8 2.9 1259 1259 A 83 GLY H A 84 ILE H 1.0 1.8 2.9 1260 1260 A 83 GLY H A 84 ILE HB 1.0 1.8 5.1 1261 1261 A 84 ILE HG2% A 83 GLY H 1.0 1.8 5.0 1262 1262 A 83 GLY H A 84 ILE HG13 1.0 1.8 5.0 1263 1263 A 83 GLY H A 84 ILE HD1% 1.0 1.8 5.5 1264 1264 A 84 ILE HD1% A 84 ILE HA 1.0 1.8 3.8 1265 1265 A 84 ILE HG13 A 84 ILE HA 1.0 1.8 4.0 1266 1266 A 84 ILE HG2% A 84 ILE HA 1.0 1.8 3.2 1267 1267 A 84 ILE HA A 84 ILE HG12 1.0 1.8 6.0 1268 1268 A 84 ILE H A 84 ILE HG12 1.0 1.8 6.0 1269 1269 A 84 ILE H A 84 ILE HB 1.0 1.8 2.9 1270 1270 A 84 ILE H A 84 ILE HG13 1.0 1.8 4.2 1271 1271 A 84 ILE HD1% A 84 ILE H 1.0 1.8 3.9 1272 1272 A 84 ILE HG2% A 84 ILE H 1.0 1.8 3.4 1273 1273 A 84 ILE HD1% A 84 ILE HB 1.0 1.8 3.8 1274 1274 A 85 GLN HGy A 84 ILE HA 1.0 1.8 5.0 1275 1275 A 85 GLN HA A 84 ILE HA 1.0 1.8 5.0 1276 1276 A 85 GLN H A 84 ILE HA 1.0 1.8 2.9 1277 1277 A 85 GLN H A 84 ILE HD1% 1.0 1.8 4.9 1278 1278 A 84 ILE HG2% A 85 GLN H 1.0 1.8 4.0 1279 1279 A 85 GLN H A 84 ILE HB 1.0 1.8 5.0 1280 1280 A 85 GLN H A 84 ILE H 1.0 1.8 6.0 1281 1281 A 84 ILE HG2% A 85 GLN HA 1.0 1.8 4.6 1282 1282 A 85 GLN HGy A 84 ILE HD1% 1.0 1.8 6.5 1283 1283 A 84 ILE HA A 88 ALA HB% 1.0 1.8 3.2 1284 1284 A 84 ILE HG2% A 88 ALA HB% 1.0 1.8 3.7 1285 1285 A 84 ILE HG2% A 88 ALA HA 1.0 1.8 5.5 1286 1286 A 90 LEU HD2% A 84 ILE HD1% 1.0 1.8 3.7 1287 1287 A 85 GLN H A 85 GLN HE22 1.0 1.8 6.0 1288 1288 A 85 GLN HGy A 85 GLN H 1.0 1.8 2.9 1289 1289 A 85 GLN HBy A 85 GLN H 1.0 1.8 4.0 1290 1290 A 85 GLN H A 85 GLN HE21 1.0 1.8 6.0 1291 1291 A 85 GLN HA A 85 GLN HGy 1.0 1.8 2.7 1292 1292 A 85 GLN HA A 85 GLN HE21 1.0 1.8 6.0 1293 1293 A 85 GLN HA A 85 GLN HE22 1.0 1.8 6.0 1294 1294 A 85 GLN HGy A 85 GLN HE21 1.0 1.8 3.3 1295 1295 A 85 GLN HGy A 85 GLN HE22 1.0 1.8 5.0 1296 1296 A 85 GLN HBy A 85 GLN HE22 1.0 1.8 6.0 1297 1297 A 85 GLN HBy A 85 GLN HE21 1.0 1.8 6.0 1298 1298 A 86 ALA HB% A 85 GLN H 1.0 1.8 6.5 1299 1299 A 86 ALA H A 85 GLN H 1.0 1.8 4.3 1300 1300 A 85 GLN HBy A 86 ALA HA 1.0 1.8 6.0 1301 1301 A 85 GLN HA A 86 ALA H 1.0 1.8 2.9 1302 1302 A 85 GLN HGy A 86 ALA H 1.0 1.8 5.0 1303 1303 A 85 GLN HBy A 86 ALA H 1.0 1.8 2.9 1304 1304 A 85 GLN HGy A 86 ALA HB% 1.0 1.8 5.9 1305 1305 A 85 GLN H A 87 ASP H 1.0 1.8 6.0 1306 1306 A 85 GLN HGy A 87 ASP H 1.0 1.8 5.0 1307 1307 A 85 GLN HBy A 87 ASP H 1.0 1.8 2.9 1308 1308 A 85 GLN H A 88 ALA HA 1.0 1.8 6.0 1309 1309 A 85 GLN H A 88 ALA HB% 1.0 1.8 3.4 1310 1310 A 85 GLN H A 90 LEU HD2% 1.0 1.8 6.5 1311 1311 A 86 ALA H A 86 ALA HB% 1.0 1.8 6.5 1312 1312 A 86 ALA HA A 87 ASP H 1.0 1.8 3.3 1313 1313 A 86 ALA H A 87 ASP H 1.0 1.8 2.9 1314 1314 A 86 ALA HB% A 87 ASP H 1.0 1.8 3.4 1315 1315 A 86 ALA HA A 88 ALA H 1.0 1.8 3.3 1316 1316 A 86 ALA H A 88 ALA H 1.0 1.8 5.0 1317 1317 A 86 ALA HB% A 88 ALA H 1.0 1.8 4.1 1318 1318 A 87 ASP H A 87 ASP HB2 1.0 1.8 2.9 1319 1319 A 87 ASP H A 87 ASP HB3 1.0 1.8 2.9 1320 1320 A 88 ALA H A 87 ASP HB2 1.0 1.8 4.2 1321 1321 A 87 ASP H A 88 ALA H 1.0 1.8 2.9 1322 1322 A 88 ALA H A 87 ASP HA 1.0 1.8 2.9 1323 1323 A 88 ALA H A 87 ASP HB3 1.0 1.8 3.5 1324 1324 A 87 ASP H A 88 ALA HA 1.0 1.8 4.8 1325 1325 A 87 ASP H A 88 ALA HB% 1.0 1.8 3.8 1326 1326 A 88 ALA H A 88 ALA HB% 1.0 1.8 6.5 1327 1327 A 88 ALA H A 89 LYS H 1.0 1.8 4.5 1328 1328 A 88 ALA HA A 89 LYS H 1.0 1.8 2.9 1329 1329 A 88 ALA HB% A 89 LYS H 1.0 1.8 3.4 1330 1330 A 89 LYS H A 89 LYS HB2 1.0 1.8 2.9 1331 1331 A 89 LYS H A 89 LYS HB3 1.0 1.8 3.5 1332 1332 A 89 LYS H A 89 LYS HGy 1.0 1.8 4.2 1333 1333 A 89 LYS H A 89 LYS HDy 1.0 1.8 2.9 1334 1334 A 89 LYS H A 89 LYS HEy 1.0 1.8 2.9 1335 1335 A 89 LYS HB3 A 89 LYS HEy 1.0 1.8 3.6 1336 1336 A 89 LYS HEy A 89 LYS HA 1.0 1.8 3.8 1337 1337 A 89 LYS HGy A 89 LYS HEy 1.0 1.8 6.0 1338 1338 A 89 LYS HB2 A 89 LYS HEy 1.0 1.8 2.7 1339 1339 A 89 LYS HB2 A 89 LYS HDy 1.0 1.8 3.1 1340 1340 A 89 LYS HB3 A 89 LYS HDy 1.0 1.8 3.7 1341 1341 A 89 LYS HDy A 89 LYS HA 1.0 1.8 2.7 1342 1342 A 89 LYS HGy A 89 LYS HA 1.0 1.8 2.7 1343 1343 A 90 LEU H A 89 LYS HA 1.0 1.8 2.9 1344 1344 A 90 LEU H A 89 LYS HB3 1.0 1.8 4.0 1345 1345 A 90 LEU H A 89 LYS HDy 1.0 1.8 4.6 1346 1346 A 90 LEU H A 89 LYS H 1.0 1.8 6.0 1347 1347 A 90 LEU H A 89 LYS HB2 1.0 1.8 4.6 1348 1348 A 89 LYS H A 90 LEU HD1% 1.0 1.8 6.0 1349 1349 A 90 LEU H A 90 LEU HD2% 1.0 1.8 3.4 1350 1350 A 90 LEU H A 90 LEU HB2 1.0 1.8 2.9 1351 1351 A 90 LEU H A 90 LEU HG 1.0 1.8 2.9 1352 1352 A 90 LEU H A 90 LEU HB3 1.0 1.8 3.6 1353 1353 A 90 LEU HA A 90 LEU HD2% 1.0 1.8 3.2 1354 1354 A 90 LEU HA A 90 LEU HD1% 1.0 1.8 3.9 1355 1355 A 90 LEU HA A 90 LEU HG 1.0 1.8 5.0 1356 1356 A 90 LEU HD2% A 90 LEU HB2 1.0 1.8 6.5 1357 1357 A 90 LEU HD1% A 90 LEU HB2 1.0 1.8 3.2 1358 1358 A 90 LEU HB3 A 90 LEU HD1% 1.0 1.8 3.2 1359 1359 A 90 LEU HD2% A 90 LEU HB3 1.0 1.8 6.5 1360 1360 A 90 LEU H A 90 LEU HD1% 1.0 1.8 6.5 1361 1361 A 90 LEU H A 91 GLN H 1.0 1.8 5.0 1362 1362 A 90 LEU HA A 91 GLN H 1.0 1.8 2.9 1363 1363 A 90 LEU HD2% A 91 GLN H 1.0 1.8 3.4 1364 1364 A 91 GLN H A 90 LEU HB2 1.0 1.8 3.3 1365 1365 A 91 GLN H A 90 LEU HG 1.0 1.8 4.7 1366 1366 A 91 GLN H A 90 LEU HB3 1.0 1.8 2.9 1367 1367 A 90 LEU HA A 91 GLN HG3 1.0 1.8 6.0 1368 1368 A 91 GLN HA A 91 GLN HG2 1.0 1.8 5.0 1369 1369 A 91 GLN HA A 91 GLN HG3 1.0 1.8 3.3 1370 1370 A 91 GLN HA A 91 GLN HE22 1.0 1.8 6.0 1371 1371 A 91 GLN H A 91 GLN HB3 1.0 1.8 3.7 1372 1372 A 91 GLN H A 91 GLN HB2 1.0 1.8 3.5 1373 1373 A 91 GLN H A 91 GLN HG3 1.0 1.8 2.9 1374 1374 A 91 GLN H A 91 GLN HE22 1.0 1.8 6.0 1375 1375 A 91 GLN H A 91 GLN HG2 1.0 1.8 3.8 1376 1376 A 91 GLN HG2 A 91 GLN HE21 1.0 1.8 3.3 1377 1377 A 91 GLN HG2 A 91 GLN HE22 1.0 1.8 5.0 1378 1378 A 91 GLN HG3 A 91 GLN HE21 1.0 1.8 5.0 1379 1379 A 91 GLN HG3 A 91 GLN HE22 1.0 1.8 5.0 1380 1380 A 91 GLN HB2 A 91 GLN HE22 1.0 1.8 6.0 1381 1381 A 91 GLN HB3 A 91 GLN HE21 1.0 1.8 5.0 1382 1382 A 91 GLN HB2 A 91 GLN HE21 1.0 1.8 3.3 1383 1383 A 91 GLN HB3 A 91 GLN HE22 1.0 1.8 5.0 1384 1384 A 91 GLN HA A 91 GLN HE21 1.0 1.8 6.0 1385 1385 A 91 GLN HB3 A 92 PHE H 1.0 1.8 5.0 1386 1386 A 91 GLN HB2 A 92 PHE H 1.0 1.8 3.6 1387 1387 A 91 GLN HA A 92 PHE H 1.0 1.8 2.9 1388 1388 A 91 GLN H A 92 PHE H 1.0 1.8 6.0 1389 1389 A 91 GLN HA A 92 PHE HA 1.0 1.8 4.5 1390 1390 A 91 GLN HA A 92 PHE HB2 1.0 1.8 5.0 1391 1391 A 92 PHE HA A 91 GLN HB2 1.0 1.8 4.3 1392 1392 A 91 GLN H A 92 PHE HA 1.0 1.8 5.0 1393 1393 A 91 GLN HG2 A 92 PHE H 1.0 1.8 6.0 1394 1394 A 91 GLN HG3 A 92 PHE H 1.0 1.8 6.0 1395 1395 A 92 PHE HB3 A 92 PHE H 1.0 1.8 3.5 1396 1396 A 92 PHE HB2 A 92 PHE H 1.0 1.8 2.9 1397 1397 A 92 PHE HA A 93 THR HB 1.0 1.8 6.0 1398 1398 A 92 PHE HB2 A 93 THR HB 1.0 1.8 6.0 1399 1399 A 92 PHE H A 93 THR HG2% 1.0 1.8 5.5 1400 1400 A 92 PHE HA A 93 THR H 1.0 1.8 2.9 1401 1401 A 92 PHE HB2 A 93 THR H 1.0 1.8 4.0 1402 1402 A 92 PHE HB3 A 93 THR H 1.0 1.8 3.5 1403 1403 A 92 PHE H A 93 THR H 1.0 1.8 6.0 1404 1404 A 93 THR HB A 93 THR H 1.0 1.8 5.0 1405 1405 A 93 THR HA A 93 THR HG2% 1.0 1.8 3.2 1406 1406 A 93 THR HG2% A 93 THR H 1.0 1.8 3.4 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 18 TRP O A 35 VAL N 1.0 3.0 4.5 2 2 A 35 VAL H A 18 TRP O 1.0 2.0 3.5 3 3 A 35 VAL O A 18 TRP N 1.0 3.0 4.5 4 4 A 18 TRP H A 35 VAL O 1.0 2.0 3.5 5 5 A 20 LEU O A 33 LEU N 1.0 3.0 4.5 6 6 A 33 LEU H A 20 LEU O 1.0 2.0 3.5 7 7 A 33 LEU O A 20 LEU N 1.0 3.0 4.5 8 8 A 20 LEU H A 33 LEU O 1.0 2.0 3.5 9 9 A 31 VAL O A 22 VAL N 1.0 3.0 4.6 10 10 A 22 VAL H A 31 VAL O 1.0 2.0 3.5 11 11 A 22 VAL O A 31 VAL N 1.0 3.0 4.5 12 12 A 31 VAL H A 22 VAL O 1.0 2.0 3.5 13 13 A 29 ARG O A 24 VAL N 1.0 3.0 4.5 14 14 A 24 VAL H A 29 ARG O 1.0 2.0 3.5 15 15 A 24 VAL O A 29 ARG N 1.0 3.0 4.5 16 16 A 29 ARG H A 24 VAL O 1.0 2.0 3.5 17 17 A 65 TRP O A 70 THR N 1.0 3.0 4.5 18 18 A 70 THR H A 65 TRP O 1.0 2.0 3.5 19 19 A 70 THR O A 65 TRP N 1.0 3.0 4.5 20 20 A 65 TRP H A 70 THR O 1.0 2.0 3.5 21 21 A 63 LEU O A 72 LEU N 1.0 3.0 4.5 22 22 A 72 LEU H A 63 LEU O 1.0 2.0 3.5 23 23 A 72 LEU O A 63 LEU N 1.0 3.0 4.5 24 24 A 63 LEU H A 72 LEU O 1.0 2.0 3.5 25 25 A 92 PHE O A 64 TRP N 1.0 3.0 4.5 26 26 A 64 TRP H A 92 PHE O 1.0 2.0 3.6 27 27 A 64 TRP O A 92 PHE N 1.0 3.0 4.6 28 28 A 92 PHE H A 64 TRP O 1.0 2.0 4.7 29 29 A 21 SER O A 91 GLN N 1.0 3.0 4.5 30 30 A 91 GLN H A 21 SER O 1.0 2.0 4.8 31 31 A 23 HIS O A 93 THR N 1.0 3.0 4.7 32 32 A 93 THR H A 23 HIS O 1.0 2.0 5.3 33 33 A 91 GLN O A 23 HIS N 1.0 3.0 4.5 34 34 A 23 HIS H A 91 GLN O 1.0 2.0 3.5 35 35 A 39 VAL O A 43 GLY N 1.0 2.5 5.5 36 36 A 44 VAL H A 40 HIS O 1.0 1.5 3.0 37 37 A 41 ILE O A 45 MET N 1.0 2.5 4.0 38 38 A 46 LEU H A 42 GLY O 1.0 1.5 3.0 39 39 A 43 GLY O A 47 LYS N 1.0 2.5 4.0 40 40 A 48 LEU H A 44 VAL O 1.0 1.5 3.0 41 41 A 45 MET O A 49 VAL N 1.0 2.5 4.0 42 42 A 50 GLU H A 46 LEU O 1.0 1.5 3.0 43 43 A 51 LYS H A 47 LYS O 1.0 1.5 3.0 44 44 A 77 TRP O A 81 LYS N 1.0 2.5 5.0 45 45 A 82 TYR H A 78 THR O 1.0 1.5 3.0 46 46 A 79 LEU O A 83 GLY N 1.0 2.5 4.0 47 47 A 84 ILE H A 80 ASP O 1.0 1.5 3.1 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 15 ASP C A 16 GLY N A 16 GLY CA A 16 GLY C 1.0 52.0 112.0 PHI 2 2 A 16 GLY N A 16 GLY CA A 16 GLY C A 17 THR N 1.0 -39.0 61.0 PSI 3 3 A 16 GLY C A 17 THR N A 17 THR CA A 17 THR C 1.0 -176.0 -76.0 PHI 4 4 A 17 THR N A 17 THR CA A 17 THR C A 18 TRP N 1.0 123.0 183.0 PSI 5 5 A 19 GLU C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -145.0 -85.0 PHI 6 6 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 SER N 1.0 107.0 147.0 PSI 7 7 A 20 LEU C A 21 SER N A 21 SER CA A 21 SER C 1.0 -120.0 -80.0 PHI 8 8 A 21 SER N A 21 SER CA A 21 SER C A 22 VAL N 1.0 105.0 145.0 PSI 9 9 A 21 SER C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -154.0 -94.0 PHI 10 10 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 HIS N 1.0 96.0 156.0 PSI 11 11 A 22 VAL C A 23 HIS N A 23 HIS CA A 23 HIS C 1.0 -139.0 -79.0 PHI 12 12 A 23 HIS N A 23 HIS CA A 23 HIS C A 24 VAL N 1.0 105.0 145.0 PSI 13 13 A 23 HIS C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -129.0 -69.0 PHI 14 14 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 THR N 1.0 63.0 203.0 PSI 15 15 A 28 ASN C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -180.0 -80.0 PHI 16 16 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 ASP N 1.0 119.0 179.0 PSI 17 17 A 29 ARG C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -166.0 -66.0 PHI 18 18 A 30 ASP N A 30 ASP CA A 30 ASP C A 31 VAL N 1.0 101.0 161.0 PSI 19 19 A 30 ASP C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -150.0 -90.0 PHI 20 20 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 THR N 1.0 117.0 157.0 PSI 21 21 A 31 VAL C A 32 THR N A 32 THR CA A 32 THR C 1.0 -133.0 -73.0 PHI 22 22 A 32 THR N A 32 THR CA A 32 THR C A 33 LEU N 1.0 105.0 165.0 PSI 23 23 A 32 THR C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -156.0 -96.0 PHI 24 24 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 ARG N 1.0 114.0 174.0 PSI 25 25 A 33 LEU C A 34 ARG N A 34 ARG CA A 34 ARG C 1.0 -124.0 -64.0 PHI 26 26 A 34 ARG N A 34 ARG CA A 34 ARG C A 35 VAL N 1.0 100.0 160.0 PSI 27 27 A 34 ARG C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -163.0 -103.0 PHI 28 28 A 35 VAL N A 35 VAL CA A 35 VAL C A 36 THR N 1.0 130.0 190.0 PSI 29 29 A 35 VAL C A 36 THR N A 36 THR CA A 36 THR C 1.0 -151.0 -91.0 PHI 30 30 A 36 THR N A 36 THR CA A 36 THR C A 37 GLY N 1.0 136.0 176.0 PSI 31 31 A 38 GLU C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -106.0 -46.0 PHI 32 32 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 HIS N 1.0 102.0 162.0 PSI 33 33 A 39 VAL C A 40 HIS N A 40 HIS CA A 40 HIS C 1.0 -124.0 -64.0 PHI 34 34 A 40 HIS N A 40 HIS CA A 40 HIS C A 41 ILE N 1.0 101.0 201.0 PSI 35 35 A 40 HIS C A 41 ILE N A 41 ILE CA A 41 ILE C 1.0 -84.0 -44.0 PHI 36 36 A 41 ILE N A 41 ILE CA A 41 ILE C A 42 GLY N 1.0 -58.0 2.0 PSI 37 37 A 41 ILE C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 -114.0 -54.0 PHI 38 38 A 42 GLY N A 42 GLY CA A 42 GLY C A 43 GLY N 1.0 -64.0 36.0 PSI 39 39 A 43 GLY C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -83.0 -43.0 PHI 40 40 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 MET N 1.0 -63.0 -23.0 PSI 41 41 A 44 VAL C A 45 MET N A 45 MET CA A 45 MET C 1.0 -82.0 -42.0 PHI 42 42 A 45 MET N A 45 MET CA A 45 MET C A 46 LEU N 1.0 -63.0 -23.0 PSI 43 43 A 45 MET C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -78.0 -38.0 PHI 44 44 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 LYS N 1.0 -65.0 -25.0 PSI 45 45 A 46 LEU C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -88.0 -48.0 PHI 46 46 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 LEU N 1.0 -59.0 -19.0 PSI 47 47 A 47 LYS C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -86.0 -46.0 PHI 48 48 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 VAL N 1.0 -70.0 -10.0 PSI 49 49 A 48 LEU C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -83.0 -43.0 PHI 50 50 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 GLU N 1.0 -60.0 -20.0 PSI 51 51 A 49 VAL C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -85.0 -45.0 PHI 52 52 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 LYS N 1.0 -61.0 -1.0 PSI 53 53 A 50 GLU C A 51 LYS N A 51 LYS CA A 51 LYS C 1.0 -104.0 -44.0 PHI 54 54 A 51 LYS N A 51 LYS CA A 51 LYS C A 52 LEU N 1.0 -57.0 3.0 PSI 55 55 A 55 LYS C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -179.0 -79.0 PHI 56 56 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 ASP N 1.0 121.0 181.0 PSI 57 57 A 56 LYS C A 57 ASP N A 57 ASP CA A 57 ASP C 1.0 -150.0 -50.0 PHI 58 58 A 57 ASP N A 57 ASP CA A 57 ASP C A 58 TRP N 1.0 92.0 152.0 PSI 59 59 A 58 TRP C A 59 SER N A 59 SER CA A 59 SER C 1.0 -82.0 -42.0 PHI 60 60 A 59 SER N A 59 SER CA A 59 SER C A 60 ASP N 1.0 -55.0 5.0 PSI 61 61 A 60 ASP C A 61 HIS N A 61 HIS CA A 61 HIS C 1.0 -173.0 -73.0 PHI 62 62 A 61 HIS N A 61 HIS CA A 61 HIS C A 62 ALA N 1.0 116.0 176.0 PSI 63 63 A 61 HIS C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -168.0 -108.0 PHI 64 64 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 LEU N 1.0 122.0 182.0 PSI 65 65 A 62 ALA C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -156.0 -96.0 PHI 66 66 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 TRP N 1.0 108.0 148.0 PSI 67 67 A 63 LEU C A 64 TRP N A 64 TRP CA A 64 TRP C 1.0 -149.0 -89.0 PHI 68 68 A 64 TRP N A 64 TRP CA A 64 TRP C A 65 TRP N 1.0 111.0 151.0 PSI 69 69 A 64 TRP C A 65 TRP N A 65 TRP CA A 65 TRP C 1.0 -155.0 -55.0 PHI 70 70 A 65 TRP N A 65 TRP CA A 65 TRP C A 66 GLU N 1.0 77.0 137.0 PSI 71 71 A 65 TRP C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -79.0 -39.0 PHI 72 72 A 66 GLU N A 66 GLU CA A 66 GLU C A 67 LYS N 1.0 -64.0 -4.0 PSI 73 73 A 66 GLU C A 67 LYS N A 67 LYS CA A 67 LYS C 1.0 -97.0 -37.0 PHI 74 74 A 67 LYS N A 67 LYS CA A 67 LYS C A 68 LYS N 1.0 -51.0 9.0 PSI 75 75 A 69 ARG C A 70 THR N A 70 THR CA A 70 THR C 1.0 -164.0 -104.0 PHI 76 76 A 70 THR N A 70 THR CA A 70 THR C A 71 TRP N 1.0 99.0 199.0 PSI 77 77 A 70 THR C A 71 TRP N A 71 TRP CA A 71 TRP C 1.0 -128.0 -68.0 PHI 78 78 A 71 TRP N A 71 TRP CA A 71 TRP C A 72 LEU N 1.0 100.0 160.0 PSI 79 79 A 71 TRP C A 72 LEU N A 72 LEU CA A 72 LEU C 1.0 -125.0 -65.0 PHI 80 80 A 72 LEU N A 72 LEU CA A 72 LEU C A 73 LEU N 1.0 83.0 183.0 PSI 81 81 A 74 LYS C A 75 THR N A 75 THR CA A 75 THR C 1.0 -75.0 -35.0 PHI 82 82 A 75 THR N A 75 THR CA A 75 THR C A 76 HIS N 1.0 -67.0 -7.0 PSI 83 83 A 77 TRP C A 78 THR N A 78 THR CA A 78 THR C 1.0 -150.0 -50.0 PHI 84 84 A 78 THR N A 78 THR CA A 78 THR C A 79 LEU N 1.0 135.0 195.0 PSI 85 85 A 78 THR C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -93.0 -33.0 PHI 86 86 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 ASP N 1.0 -67.0 -7.0 PSI 87 87 A 79 LEU C A 80 ASP N A 80 ASP CA A 80 ASP C 1.0 -83.0 -43.0 PHI 88 88 A 80 ASP N A 80 ASP CA A 80 ASP C A 81 LYS N 1.0 -58.0 -18.0 PSI 89 89 A 80 ASP C A 81 LYS N A 81 LYS CA A 81 LYS C 1.0 -86.0 -46.0 PHI 90 90 A 81 LYS N A 81 LYS CA A 81 LYS C A 82 TYR N 1.0 -56.0 -16.0 PSI 91 91 A 81 LYS C A 82 TYR N A 82 TYR CA A 82 TYR C 1.0 -103.0 -43.0 PHI 92 92 A 82 TYR N A 82 TYR CA A 82 TYR C A 83 GLY N 1.0 -71.0 29.0 PSI 93 93 A 83 GLY C A 84 ILE N A 84 ILE CA A 84 ILE C 1.0 -102.0 -62.0 PHI 94 94 A 84 ILE N A 84 ILE CA A 84 ILE C A 85 GLN N 1.0 100.0 160.0 PSI 95 95 A 85 GLN C A 86 ALA N A 86 ALA CA A 86 ALA C 1.0 -81.0 -41.0 PHI 96 96 A 86 ALA N A 86 ALA CA A 86 ALA C A 87 ASP N 1.0 -58.0 2.0 PSI 97 97 A 87 ASP C A 88 ALA N A 88 ALA CA A 88 ALA C 1.0 -99.0 -39.0 PHI 98 98 A 88 ALA N A 88 ALA CA A 88 ALA C A 89 LYS N 1.0 115.0 175.0 PSI 99 99 A 88 ALA C A 89 LYS N A 89 LYS CA A 89 LYS C 1.0 -130.0 -70.0 PHI 100 100 A 89 LYS N A 89 LYS CA A 89 LYS C A 90 LEU N 1.0 73.0 173.0 PSI 101 101 A 89 LYS C A 90 LEU N A 90 LEU CA A 90 LEU C 1.0 -140.0 -80.0 PHI 102 102 A 90 LEU N A 90 LEU CA A 90 LEU C A 91 GLN N 1.0 111.0 171.0 PSI 103 103 A 90 LEU C A 91 GLN N A 91 GLN CA A 91 GLN C 1.0 -154.0 -94.0 PHI 104 104 A 91 GLN N A 91 GLN CA A 91 GLN C A 92 PHE N 1.0 108.0 168.0 PSI 105 105 A 91 GLN C A 92 PHE N A 92 PHE CA A 92 PHE C 1.0 -144.0 -84.0 PHI 106 106 A 92 PHE N A 92 PHE CA A 92 PHE C A 93 THR N 1.0 92.0 152.0 PSI 107 107 A 92 PHE C A 93 THR N A 93 THR CA A 93 THR C 1.0 -160.0 -60.0 PHI 108 108 A 93 THR N A 93 THR CA A 93 THR C A 94 PRO N 1.0 91.0 191.0 PSI stop_ save_