data_nef_c18214_2loj 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 1 MET start . . 2 A 2 SER middle . . 3 A 3 ARG middle . . 4 A 4 MET middle . . 5 A 5 ASP middle . . 6 A 6 ASN middle . . 7 A 7 THR middle . . 8 A 8 GLU middle . . 9 A 9 LEU middle . . 10 A 10 PRO middle . false 11 A 11 HIS middle . . 12 A 12 PRO middle . false 13 A 13 LYS middle . . 14 A 14 GLU middle . . 15 A 15 ILE middle . . 16 A 16 ASP middle . . 17 A 17 ASN middle . . 18 A 18 GLU middle . . 19 A 19 THR middle . . 20 A 20 LEU middle . . 21 A 21 LEU middle . . 22 A 22 PRO middle . false 23 A 23 ALA middle . . 24 A 24 ALA middle . . 25 A 25 GLU middle . . 26 A 26 ARG middle . . 27 A 27 ARG middle . . 28 A 28 VAL middle . . 29 A 29 ASN middle . . 30 A 30 SER middle . . 31 A 31 GLN middle . . 32 A 32 ALA middle . . 33 A 33 LEU middle . . 34 A 34 LEU middle . . 35 A 35 GLY middle . false 36 A 36 PRO middle . false 37 A 37 ASP middle . . 38 A 38 GLY middle . false 39 A 39 LYS middle . . 40 A 40 VAL middle . . 41 A 41 ILE middle . . 42 A 42 ILE middle . . 43 A 43 ASP middle . . 44 A 44 HIS middle . . 45 A 45 ASN middle . . 46 A 46 GLY middle . false 47 A 47 GLN middle . . 48 A 48 GLU middle . . 49 A 49 TYR middle . . 50 A 50 LEU middle . . 51 A 51 LEU middle . . 52 A 52 ARG middle . . 53 A 53 LYS middle . . 54 A 54 THR middle . . 55 A 55 GLN middle . . 56 A 56 ALA middle . . 57 A 57 GLY middle . false 58 A 58 LYS middle . . 59 A 59 LEU middle . . 60 A 60 LEU middle . . 61 A 61 LEU middle . . 62 A 62 THR middle . . 63 A 63 LYS 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 3 ARG HA H 1 4.286 0.04 A 3 ARG HBy H 1 1.801 0.04 A 3 ARG HBx H 1 1.683 0.04 A 3 ARG HDx H 1 3.123 0.04 A 3 ARG HDy H 1 3.123 0.04 A 3 ARG HGy H 1 1.561 0.04 A 3 ARG HGx H 1 1.517 0.04 A 3 ARG C C 13 176.261 0.40 A 3 ARG CA C 13 56.230 0.40 A 3 ARG CB C 13 30.760 0.40 A 3 ARG CD C 13 43.320 0.40 A 3 ARG CG C 13 26.990 0.40 A 4 MET H H 1 8.318 0.04 A 4 MET HA H 1 4.392 0.04 A 4 MET HBy H 1 2.016 0.04 A 4 MET HBx H 1 1.900 0.04 A 4 MET HE% H 1 1.996 0.04 A 4 MET HGy H 1 2.528 0.04 A 4 MET HGx H 1 2.445 0.04 A 4 MET C C 13 175.779 0.40 A 4 MET CA C 13 55.440 0.40 A 4 MET CB C 13 32.820 0.40 A 4 MET CE C 13 16.920 0.40 A 4 MET CG C 13 32.000 0.40 A 4 MET N N 15 121.127 0.40 A 5 ASP H H 1 8.247 0.04 A 5 ASP HA H 1 4.522 0.04 A 5 ASP HBy H 1 2.601 0.04 A 5 ASP HBx H 1 2.544 0.04 A 5 ASP C C 13 175.850 0.40 A 5 ASP CA C 13 54.220 0.40 A 5 ASP CB C 13 41.200 0.40 A 5 ASP N N 15 121.087 0.40 A 6 ASN H H 1 8.320 0.04 A 6 ASN HA H 1 4.664 0.04 A 6 ASN HBy H 1 2.774 0.04 A 6 ASN HBx H 1 2.711 0.04 A 6 ASN HD2y H 1 7.503 0.04 A 6 ASN HD2x H 1 6.823 0.04 A 6 ASN C C 13 175.478 0.40 A 6 ASN CA C 13 53.370 0.40 A 6 ASN CB C 13 38.520 0.40 A 6 ASN N N 15 119.267 0.40 A 6 ASN ND2 N 15 112.400 0.40 A 7 THR H H 1 8.111 0.04 A 7 THR HA H 1 4.179 0.04 A 7 THR HB H 1 4.152 0.04 A 7 THR HG2% H 1 1.115 0.04 A 7 THR C C 13 174.476 0.40 A 7 THR CA C 13 62.340 0.40 A 7 THR CB C 13 69.650 0.40 A 7 THR CG2 C 13 21.640 0.40 A 7 THR N N 15 114.228 0.40 A 8 GLU H H 1 8.256 0.04 A 8 GLU HA H 1 4.223 0.04 A 8 GLU HBy H 1 1.953 0.04 A 8 GLU HBx H 1 1.829 0.04 A 8 GLU HGx H 1 2.134 0.04 A 8 GLU HGy H 1 2.134 0.04 A 8 GLU C C 13 176.020 0.40 A 8 GLU CA C 13 56.230 0.40 A 8 GLU CB C 13 30.260 0.40 A 8 GLU CG C 13 36.190 0.40 A 8 GLU N N 15 122.962 0.40 A 9 LEU H H 1 8.130 0.04 A 9 LEU HA H 1 4.483 0.04 A 9 LEU HBy H 1 1.496 0.04 A 9 LEU HBx H 1 1.433 0.04 A 9 LEU HDx% H 1 0.846 0.04 A 9 LEU HDy% H 1 0.810 0.04 A 9 LEU HG H 1 1.569 0.04 A 9 LEU CA C 13 53.170 0.40 A 9 LEU CB C 13 41.590 0.40 A 9 LEU CDy C 13 25.090 0.40 A 9 LEU CDx C 13 23.280 0.40 A 9 LEU CG C 13 26.990 0.40 A 9 LEU N N 15 124.766 0.40 A 10 PRO HA H 1 4.292 0.04 A 10 PRO HBy H 1 2.154 0.04 A 10 PRO HBx H 1 1.716 0.04 A 10 PRO HDy H 1 3.726 0.04 A 10 PRO HDx H 1 3.519 0.04 A 10 PRO HGx H 1 1.904 0.04 A 10 PRO HGy H 1 1.904 0.04 A 10 PRO C C 13 176.337 0.40 A 10 PRO CA C 13 62.850 0.40 A 10 PRO CB C 13 31.920 0.40 A 10 PRO CD C 13 50.470 0.40 A 10 PRO CG C 13 27.280 0.40 A 11 HIS H H 1 8.329 0.04 A 11 HIS HA H 1 4.825 0.04 A 11 HIS HBy H 1 3.078 0.04 A 11 HIS HBx H 1 2.989 0.04 A 11 HIS CA C 13 53.430 0.40 A 11 HIS CB C 13 29.370 0.40 A 11 HIS N N 15 120.147 0.40 A 12 PRO HA H 1 4.327 0.04 A 12 PRO HBy H 1 2.221 0.04 A 12 PRO HBx H 1 1.821 0.04 A 12 PRO HDy H 1 3.665 0.04 A 12 PRO HDx H 1 3.405 0.04 A 12 PRO HGx H 1 1.904 0.04 A 12 PRO HGy H 1 1.904 0.04 A 12 PRO C C 13 176.731 0.40 A 12 PRO CA C 13 63.190 0.40 A 12 PRO CB C 13 32.110 0.40 A 12 PRO CD C 13 50.650 0.40 A 12 PRO CG C 13 27.280 0.40 A 13 LYS H H 1 8.472 0.04 A 13 LYS HA H 1 4.201 0.04 A 13 LYS HBy H 1 1.736 0.04 A 13 LYS HBx H 1 1.687 0.04 A 13 LYS HDx H 1 1.616 0.04 A 13 LYS HDy H 1 1.616 0.04 A 13 LYS HEx H 1 2.920 0.04 A 13 LYS HEy H 1 2.920 0.04 A 13 LYS HGx H 1 1.383 0.04 A 13 LYS HGy H 1 1.383 0.04 A 13 LYS C C 13 176.622 0.40 A 13 LYS CA C 13 56.600 0.40 A 13 LYS CB C 13 33.020 0.40 A 13 LYS CD C 13 28.930 0.40 A 13 LYS CE C 13 42.080 0.40 A 13 LYS CG C 13 24.690 0.40 A 13 LYS N N 15 121.927 0.40 A 14 GLU H H 1 8.442 0.04 A 14 GLU HA H 1 4.205 0.04 A 14 GLU HBy H 1 1.959 0.04 A 14 GLU HBx H 1 1.846 0.04 A 14 GLU HGx H 1 2.187 0.04 A 14 GLU HGy H 1 2.187 0.04 A 14 GLU C C 13 176.326 0.40 A 14 GLU CA C 13 56.570 0.40 A 14 GLU CB C 13 30.100 0.40 A 14 GLU CG C 13 36.460 0.40 A 14 GLU N N 15 122.532 0.40 A 15 ILE H H 1 8.068 0.04 A 15 ILE HA H 1 4.067 0.04 A 15 ILE HB H 1 1.756 0.04 A 15 ILE HD1% H 1 0.757 0.04 A 15 ILE HG1y H 1 1.348 0.04 A 15 ILE HG1x H 1 1.082 0.04 A 15 ILE HG2% H 1 0.792 0.04 A 15 ILE C C 13 175.680 0.40 A 15 ILE CA C 13 60.960 0.40 A 15 ILE CB C 13 38.850 0.40 A 15 ILE CD1 C 13 12.990 0.40 A 15 ILE CG1 C 13 27.130 0.40 A 15 ILE CG2 C 13 17.470 0.40 A 15 ILE N N 15 121.207 0.40 A 16 ASP H H 1 8.284 0.04 A 16 ASP HA H 1 4.524 0.04 A 16 ASP HBy H 1 2.644 0.04 A 16 ASP HBx H 1 2.536 0.04 A 16 ASP C C 13 175.965 0.40 A 16 ASP CA C 13 54.550 0.40 A 16 ASP CB C 13 40.970 0.40 A 16 ASP N N 15 124.246 0.40 A 17 ASN H H 1 8.317 0.04 A 17 ASN HA H 1 4.577 0.04 A 17 ASN HBy H 1 2.735 0.04 A 17 ASN HBx H 1 2.670 0.04 A 17 ASN HD2y H 1 7.544 0.04 A 17 ASN HD2x H 1 6.815 0.04 A 17 ASN C C 13 175.417 0.40 A 17 ASN CA C 13 53.690 0.40 A 17 ASN CB C 13 38.800 0.40 A 17 ASN N N 15 119.667 0.40 A 17 ASN ND2 N 15 112.800 0.40 A 18 GLU H H 1 8.407 0.04 A 18 GLU HA H 1 4.197 0.04 A 18 GLU HBy H 1 1.988 0.04 A 18 GLU HBx H 1 1.900 0.04 A 18 GLU HGy H 1 2.195 0.04 A 18 GLU HGx H 1 2.138 0.04 A 18 GLU C C 13 176.704 0.40 A 18 GLU CA C 13 56.770 0.40 A 18 GLU CB C 13 30.100 0.40 A 18 GLU CG C 13 36.460 0.40 A 18 GLU N N 15 120.842 0.40 A 19 THR H H 1 8.074 0.04 A 19 THR HA H 1 4.177 0.04 A 19 THR HB H 1 4.081 0.04 A 19 THR HG2% H 1 1.106 0.04 A 19 THR C C 13 174.186 0.40 A 19 THR CA C 13 62.250 0.40 A 19 THR CB C 13 69.650 0.40 A 19 THR CG2 C 13 21.640 0.40 A 19 THR N N 15 115.248 0.40 A 20 LEU H H 1 8.074 0.04 A 20 LEU HA H 1 4.264 0.04 A 20 LEU HBy H 1 1.537 0.04 A 20 LEU HBx H 1 1.484 0.04 A 20 LEU HDx% H 1 0.818 0.04 A 20 LEU HDy% H 1 0.753 0.04 A 20 LEU HG H 1 1.486 0.04 A 20 LEU C C 13 176.698 0.40 A 20 LEU CA C 13 54.580 0.40 A 20 LEU CB C 13 42.110 0.40 A 20 LEU CDy C 13 24.800 0.40 A 20 LEU CDx C 13 23.510 0.40 A 20 LEU CG C 13 26.870 0.40 A 20 LEU N N 15 124.826 0.40 A 21 LEU H H 1 8.088 0.04 A 21 LEU HA H 1 4.512 0.04 A 21 LEU HBy H 1 1.496 0.04 A 21 LEU HBx H 1 1.439 0.04 A 21 LEU HDx% H 1 0.846 0.04 A 21 LEU HDy% H 1 0.810 0.04 A 21 LEU HG H 1 1.569 0.04 A 21 LEU CA C 13 52.580 0.40 A 21 LEU CB C 13 41.860 0.40 A 21 LEU CDy C 13 25.090 0.40 A 21 LEU CDx C 13 23.280 0.40 A 21 LEU CG C 13 26.990 0.40 A 21 LEU N N 15 124.466 0.40 A 22 PRO HA H 1 4.292 0.04 A 22 PRO HBy H 1 2.175 0.04 A 22 PRO HBx H 1 1.795 0.04 A 22 PRO HDy H 1 3.726 0.04 A 22 PRO HDx H 1 3.521 0.04 A 22 PRO HGx H 1 1.943 0.04 A 22 PRO HGy H 1 1.943 0.04 A 22 PRO C C 13 176.540 0.40 A 22 PRO CA C 13 62.910 0.40 A 22 PRO CB C 13 32.130 0.40 A 22 PRO CD C 13 50.470 0.40 A 22 PRO CG C 13 27.300 0.40 A 23 ALA H H 1 8.314 0.04 A 23 ALA HA H 1 4.158 0.04 A 23 ALA HB% H 1 1.285 0.04 A 23 ALA C C 13 177.005 0.40 A 23 ALA CA C 13 52.230 0.40 A 23 ALA CB C 13 19.310 0.40 A 23 ALA N N 15 124.451 0.40 A 24 ALA H H 1 7.994 0.04 A 24 ALA HA H 1 4.256 0.04 A 24 ALA HB% H 1 1.299 0.04 A 24 ALA C C 13 177.065 0.40 A 24 ALA CA C 13 51.850 0.40 A 24 ALA CB C 13 20.300 0.40 A 24 ALA N N 15 121.792 0.40 A 25 GLU H H 1 8.404 0.04 A 25 GLU HA H 1 4.126 0.04 A 25 GLU HBy H 1 1.951 0.04 A 25 GLU HBx H 1 1.819 0.04 A 25 GLU HGy H 1 2.191 0.04 A 25 GLU HGx H 1 2.101 0.04 A 25 GLU C C 13 176.233 0.40 A 25 GLU CA C 13 56.810 0.40 A 25 GLU CB C 13 30.240 0.40 A 25 GLU CG C 13 36.400 0.40 A 25 GLU N N 15 120.287 0.40 A 26 ARG H H 1 8.598 0.04 A 26 ARG HA H 1 4.335 0.04 A 26 ARG HBx H 1 1.821 0.04 A 26 ARG HBy H 1 1.821 0.04 A 26 ARG HDx H 1 3.145 0.04 A 26 ARG HDy H 1 3.145 0.04 A 26 ARG HGy H 1 1.669 0.04 A 26 ARG HGx H 1 1.561 0.04 A 26 ARG C C 13 174.514 0.40 A 26 ARG CA C 13 56.180 0.40 A 26 ARG CB C 13 31.340 0.40 A 26 ARG CD C 13 43.190 0.40 A 26 ARG CG C 13 27.580 0.40 A 26 ARG N N 15 123.246 0.40 A 27 ARG H H 1 8.230 0.04 A 27 ARG HA H 1 5.444 0.04 A 27 ARG HBy H 1 1.626 0.04 A 27 ARG HBx H 1 1.541 0.04 A 27 ARG HDx H 1 3.066 0.04 A 27 ARG HDy H 1 3.066 0.04 A 27 ARG HE H 1 7.927 0.04 A 27 ARG HGy H 1 1.401 0.04 A 27 ARG HGx H 1 1.303 0.04 A 27 ARG C C 13 175.308 0.40 A 27 ARG CA C 13 54.170 0.40 A 27 ARG CB C 13 34.500 0.40 A 27 ARG CD C 13 43.390 0.40 A 27 ARG CG C 13 27.290 0.40 A 27 ARG N N 15 123.563 0.40 A 27 ARG NE N 15 84.467 0.40 A 28 VAL H H 1 9.062 0.04 A 28 VAL HA H 1 4.435 0.04 A 28 VAL HB H 1 1.874 0.04 A 28 VAL HGx% H 1 0.729 0.04 A 28 VAL HGy% H 1 0.779 0.04 A 28 VAL C C 13 173.178 0.40 A 28 VAL CA C 13 59.790 0.40 A 28 VAL CB C 13 35.510 0.40 A 28 VAL CGy C 13 21.200 0.40 A 28 VAL CGx C 13 20.930 0.40 A 28 VAL N N 15 120.927 0.40 A 29 ASN H H 1 8.779 0.04 A 29 ASN HA H 1 5.153 0.04 A 29 ASN HBx H 1 2.832 0.04 A 29 ASN HBy H 1 2.832 0.04 A 29 ASN HD2y H 1 7.827 0.04 A 29 ASN HD2x H 1 6.966 0.04 A 29 ASN C C 13 177.848 0.40 A 29 ASN CA C 13 53.160 0.40 A 29 ASN CB C 13 40.090 0.40 A 29 ASN N N 15 124.526 0.40 A 29 ASN ND2 N 15 113.900 0.40 A 30 SER H H 1 9.338 0.04 A 30 SER HA H 1 3.730 0.04 A 30 SER HBx H 1 3.716 0.04 A 30 SER HBy H 1 3.716 0.04 A 30 SER C C 13 175.833 0.40 A 30 SER CA C 13 62.010 0.40 A 30 SER CB C 13 60.920 0.40 A 30 SER N N 15 123.081 0.40 A 31 GLN H H 1 8.938 0.04 A 31 GLN HA H 1 4.033 0.04 A 31 GLN HBx H 1 2.008 0.04 A 31 GLN HBy H 1 2.008 0.04 A 31 GLN HE2y H 1 7.413 0.04 A 31 GLN HE2x H 1 6.747 0.04 A 31 GLN HGy H 1 2.430 0.04 A 31 GLN HGx H 1 2.374 0.04 A 31 GLN C C 13 177.569 0.40 A 31 GLN CA C 13 58.750 0.40 A 31 GLN CB C 13 27.810 0.40 A 31 GLN CG C 13 34.260 0.40 A 31 GLN N N 15 122.307 0.40 A 31 GLN NE2 N 15 111.700 0.40 A 32 ALA H H 1 7.477 0.04 A 32 ALA HA H 1 4.228 0.04 A 32 ALA HB% H 1 1.443 0.04 A 32 ALA C C 13 177.908 0.40 A 32 ALA CA C 13 53.010 0.40 A 32 ALA CB C 13 18.890 0.40 A 32 ALA N N 15 119.987 0.40 A 33 LEU H H 1 7.269 0.04 A 33 LEU HA H 1 4.122 0.04 A 33 LEU HBx H 1 1.338 0.04 A 33 LEU HBy H 1 1.338 0.04 A 33 LEU HDx% H 1 0.684 0.04 A 33 LEU HDy% H 1 0.507 0.04 A 33 LEU HG H 1 1.336 0.04 A 33 LEU C C 13 176.348 0.40 A 33 LEU CA C 13 56.280 0.40 A 33 LEU CB C 13 44.670 0.40 A 33 LEU CDx C 13 24.200 0.40 A 33 LEU CDy C 13 25.720 0.40 A 33 LEU CG C 13 26.740 0.40 A 33 LEU N N 15 117.867 0.40 A 34 LEU H H 1 7.915 0.04 A 34 LEU HA H 1 3.700 0.04 A 34 LEU HBy H 1 1.768 0.04 A 34 LEU HBx H 1 1.050 0.04 A 34 LEU HDx% H 1 0.542 0.04 A 34 LEU HDy% H 1 0.375 0.04 A 34 LEU HG H 1 1.559 0.04 A 34 LEU C C 13 177.870 0.40 A 34 LEU CA C 13 55.400 0.40 A 34 LEU CB C 13 42.350 0.40 A 34 LEU CDy C 13 25.450 0.40 A 34 LEU CDx C 13 22.490 0.40 A 34 LEU CG C 13 26.950 0.40 A 34 LEU N N 15 114.642 0.40 A 35 GLY H H 1 7.650 0.04 A 35 GLY HAy H 1 4.146 0.04 A 35 GLY HAx H 1 4.093 0.04 A 35 GLY CA C 13 44.610 0.40 A 35 GLY N N 15 104.529 0.40 A 36 PRO HA H 1 4.323 0.04 A 36 PRO HBy H 1 2.278 0.04 A 36 PRO HBx H 1 1.927 0.04 A 36 PRO HDy H 1 3.677 0.04 A 36 PRO HDx H 1 3.568 0.04 A 36 PRO HGx H 1 1.984 0.04 A 36 PRO HGy H 1 1.984 0.04 A 36 PRO C C 13 177.043 0.40 A 36 PRO CA C 13 64.680 0.40 A 36 PRO CB C 13 31.560 0.40 A 36 PRO CD C 13 49.470 0.40 A 36 PRO CG C 13 27.450 0.40 A 37 ASP H H 1 8.500 0.04 A 37 ASP HA H 1 4.496 0.04 A 37 ASP HBy H 1 2.802 0.04 A 37 ASP HBx H 1 2.650 0.04 A 37 ASP C C 13 177.279 0.40 A 37 ASP CA C 13 53.210 0.40 A 37 ASP CB C 13 40.190 0.40 A 37 ASP N N 15 115.648 0.40 A 38 GLY H H 1 8.084 0.04 A 38 GLY HAy H 1 3.992 0.04 A 38 GLY HAx H 1 3.578 0.04 A 38 GLY C C 13 172.445 0.40 A 38 GLY CA C 13 47.120 0.40 A 38 GLY N N 15 107.249 0.40 A 39 LYS H H 1 7.244 0.04 A 39 LYS HA H 1 5.389 0.04 A 39 LYS HBy H 1 1.695 0.04 A 39 LYS HBx H 1 1.598 0.04 A 39 LYS HDx H 1 1.504 0.04 A 39 LYS HDy H 1 1.504 0.04 A 39 LYS HEx H 1 2.824 0.04 A 39 LYS HEy H 1 2.824 0.04 A 39 LYS HGx H 1 1.177 0.04 A 39 LYS HGy H 1 1.177 0.04 A 39 LYS C C 13 175.182 0.40 A 39 LYS CA C 13 54.910 0.40 A 39 LYS CB C 13 36.880 0.40 A 39 LYS CD C 13 29.690 0.40 A 39 LYS CE C 13 42.220 0.40 A 39 LYS CG C 13 23.940 0.40 A 39 LYS N N 15 115.188 0.40 A 40 VAL H H 1 8.914 0.04 A 40 VAL HA H 1 4.362 0.04 A 40 VAL HB H 1 2.120 0.04 A 40 VAL HGx% H 1 0.615 0.04 A 40 VAL HGy% H 1 0.786 0.04 A 40 VAL C C 13 171.344 0.40 A 40 VAL CA C 13 61.340 0.40 A 40 VAL CB C 13 35.130 0.40 A 40 VAL CGx C 13 20.410 0.40 A 40 VAL CGy C 13 21.520 0.40 A 40 VAL N N 15 120.767 0.40 A 41 ILE H H 1 8.114 0.04 A 41 ILE HA H 1 4.729 0.04 A 41 ILE HB H 1 1.665 0.04 A 41 ILE HD1% H 1 0.684 0.04 A 41 ILE HG1y H 1 1.452 0.04 A 41 ILE HG1x H 1 0.960 0.04 A 41 ILE HG2% H 1 0.725 0.04 A 41 ILE C C 13 175.237 0.40 A 41 ILE CA C 13 59.910 0.40 A 41 ILE CB C 13 39.200 0.40 A 41 ILE CD1 C 13 13.420 0.40 A 41 ILE CG1 C 13 28.150 0.40 A 41 ILE CG2 C 13 17.010 0.40 A 41 ILE N N 15 127.866 0.40 A 42 ILE H H 1 9.249 0.04 A 42 ILE HA H 1 4.800 0.04 A 42 ILE HB H 1 1.482 0.04 A 42 ILE HD1% H 1 0.375 0.04 A 42 ILE HG1y H 1 1.360 0.04 A 42 ILE HG1x H 1 0.507 0.04 A 42 ILE HG2% H 1 0.471 0.04 A 42 ILE C C 13 175.187 0.40 A 42 ILE CA C 13 58.830 0.40 A 42 ILE CB C 13 39.810 0.40 A 42 ILE CD1 C 13 14.320 0.40 A 42 ILE CG1 C 13 26.870 0.40 A 42 ILE CG2 C 13 17.270 0.40 A 42 ILE N N 15 126.986 0.40 A 43 ASP H H 1 8.800 0.04 A 43 ASP HA H 1 4.971 0.04 A 43 ASP HBy H 1 2.727 0.04 A 43 ASP HBx H 1 2.349 0.04 A 43 ASP C C 13 175.505 0.40 A 43 ASP CA C 13 53.970 0.40 A 43 ASP CB C 13 42.210 0.40 A 43 ASP N N 15 127.951 0.40 A 44 HIS H H 1 9.194 0.04 A 44 HIS HA H 1 5.196 0.04 A 44 HIS HBy H 1 3.314 0.04 A 44 HIS HBx H 1 2.434 0.04 A 44 HIS C C 13 174.492 0.40 A 44 HIS CA C 13 54.660 0.40 A 44 HIS CB C 13 33.900 0.40 A 44 HIS N N 15 126.451 0.40 A 45 ASN H H 1 9.057 0.04 A 45 ASN HA H 1 4.140 0.04 A 45 ASN HBy H 1 2.792 0.04 A 45 ASN HBx H 1 2.185 0.04 A 45 ASN HD2y H 1 7.124 0.04 A 45 ASN HD2x H 1 6.604 0.04 A 45 ASN C C 13 174.892 0.40 A 45 ASN CA C 13 53.660 0.40 A 45 ASN CB C 13 37.190 0.40 A 45 ASN N N 15 126.311 0.40 A 45 ASN ND2 N 15 111.900 0.40 A 46 GLY H H 1 8.686 0.04 A 46 GLY HAy H 1 4.114 0.04 A 46 GLY HAx H 1 3.594 0.04 A 46 GLY C C 13 173.945 0.40 A 46 GLY CA C 13 45.440 0.40 A 46 GLY N N 15 105.469 0.40 A 47 GLN H H 1 7.841 0.04 A 47 GLN HA H 1 4.469 0.04 A 47 GLN HBy H 1 2.217 0.04 A 47 GLN HBx H 1 1.973 0.04 A 47 GLN HE2y H 1 7.515 0.04 A 47 GLN HE2x H 1 6.910 0.04 A 47 GLN HGx H 1 2.195 0.04 A 47 GLN HGy H 1 2.195 0.04 A 47 GLN C C 13 174.656 0.40 A 47 GLN CA C 13 54.150 0.40 A 47 GLN CB C 13 31.070 0.40 A 47 GLN CG C 13 33.890 0.40 A 47 GLN N N 15 120.007 0.40 A 47 GLN NE2 N 15 113.500 0.40 A 48 GLU H H 1 8.505 0.04 A 48 GLU HA H 1 4.739 0.04 A 48 GLU HBy H 1 1.817 0.04 A 48 GLU HBx H 1 1.630 0.04 A 48 GLU HGy H 1 2.187 0.04 A 48 GLU HGx H 1 1.882 0.04 A 48 GLU C C 13 175.877 0.40 A 48 GLU CA C 13 56.170 0.40 A 48 GLU CB C 13 30.730 0.40 A 48 GLU CG C 13 36.730 0.40 A 48 GLU N N 15 123.081 0.40 A 49 TYR H H 1 9.086 0.04 A 49 TYR HA H 1 4.760 0.04 A 49 TYR HBy H 1 2.867 0.04 A 49 TYR HBx H 1 2.672 0.04 A 49 TYR HDx H 1 6.990 0.04 A 49 TYR HDy H 1 6.990 0.04 A 49 TYR HEx H 1 6.853 0.04 A 49 TYR HEy H 1 6.853 0.04 A 49 TYR C C 13 174.098 0.40 A 49 TYR CA C 13 56.860 0.40 A 49 TYR CB C 13 41.520 0.40 A 49 TYR CDy C 13 133.220 0.40 A 49 TYR CEy C 13 118.454 0.40 A 49 TYR N N 15 124.226 0.40 A 50 LEU H H 1 9.147 0.04 A 50 LEU HA H 1 4.841 0.04 A 50 LEU HBy H 1 1.665 0.04 A 50 LEU HBx H 1 1.210 0.04 A 50 LEU HDx% H 1 0.700 0.04 A 50 LEU HDy% H 1 0.692 0.04 A 50 LEU HG H 1 1.210 0.04 A 50 LEU C C 13 174.459 0.40 A 50 LEU CA C 13 53.840 0.40 A 50 LEU CB C 13 43.930 0.40 A 50 LEU CDx C 13 23.860 0.40 A 50 LEU CDy C 13 26.050 0.40 A 50 LEU CG C 13 27.720 0.40 A 50 LEU N N 15 123.506 0.40 A 51 LEU H H 1 8.803 0.04 A 51 LEU HA H 1 5.233 0.04 A 51 LEU HBy H 1 1.799 0.04 A 51 LEU HBx H 1 0.865 0.04 A 51 LEU HDx% H 1 0.566 0.04 A 51 LEU HDy% H 1 0.426 0.04 A 51 LEU HG H 1 1.098 0.04 A 51 LEU C C 13 174.246 0.40 A 51 LEU CA C 13 52.940 0.40 A 51 LEU CB C 13 43.890 0.40 A 51 LEU CDx C 13 25.020 0.40 A 51 LEU CDy C 13 26.300 0.40 A 51 LEU CG C 13 27.220 0.40 A 51 LEU N N 15 129.785 0.40 A 52 ARG H H 1 8.740 0.04 A 52 ARG HA H 1 5.292 0.04 A 52 ARG HBy H 1 1.827 0.04 A 52 ARG HBx H 1 1.425 0.04 A 52 ARG HDx H 1 2.950 0.04 A 52 ARG HDy H 1 2.950 0.04 A 52 ARG HGy H 1 1.488 0.04 A 52 ARG HGx H 1 1.145 0.04 A 52 ARG C C 13 173.561 0.40 A 52 ARG CA C 13 53.220 0.40 A 52 ARG CB C 13 34.560 0.40 A 52 ARG CD C 13 43.860 0.40 A 52 ARG CG C 13 26.160 0.40 A 52 ARG N N 15 121.867 0.40 A 53 LYS H H 1 7.912 0.04 A 53 LYS HA H 1 5.160 0.04 A 53 LYS HBy H 1 1.724 0.04 A 53 LYS HBx H 1 1.399 0.04 A 53 LYS HDy H 1 1.685 0.04 A 53 LYS HDx H 1 1.553 0.04 A 53 LYS HEx H 1 2.869 0.04 A 53 LYS HEy H 1 2.869 0.04 A 53 LYS HGy H 1 1.439 0.04 A 53 LYS HGx H 1 1.177 0.04 A 53 LYS C C 13 176.879 0.40 A 53 LYS CA C 13 53.660 0.40 A 53 LYS CB C 13 33.800 0.40 A 53 LYS CD C 13 29.580 0.40 A 53 LYS CE C 13 41.910 0.40 A 53 LYS CG C 13 23.680 0.40 A 53 LYS N N 15 118.467 0.40 A 54 THR H H 1 8.753 0.04 A 54 THR HA H 1 4.703 0.04 A 54 THR HB H 1 4.621 0.04 A 54 THR HG2% H 1 0.983 0.04 A 54 THR CA C 13 59.430 0.40 A 54 THR CB C 13 71.730 0.40 A 54 THR CG2 C 13 22.250 0.40 A 54 THR N N 15 114.428 0.40 A 56 ALA HA H 1 4.355 0.04 A 56 ALA HB% H 1 1.354 0.04 A 56 ALA C C 13 177.569 0.40 A 56 ALA CA C 13 52.030 0.40 A 56 ALA CB C 13 18.900 0.40 A 57 GLY H H 1 7.961 0.04 A 57 GLY HAy H 1 4.236 0.04 A 57 GLY HAx H 1 3.789 0.04 A 57 GLY C C 13 174.678 0.40 A 57 GLY CA C 13 45.600 0.40 A 57 GLY N N 15 106.509 0.40 A 58 LYS H H 1 7.064 0.04 A 58 LYS HA H 1 4.628 0.04 A 58 LYS HBy H 1 1.902 0.04 A 58 LYS HBx H 1 1.608 0.04 A 58 LYS HDx H 1 1.620 0.04 A 58 LYS HDy H 1 1.620 0.04 A 58 LYS HEx H 1 2.918 0.04 A 58 LYS HEy H 1 2.918 0.04 A 58 LYS HGx H 1 1.289 0.04 A 58 LYS HGy H 1 1.289 0.04 A 58 LYS C C 13 174.755 0.40 A 58 LYS CA C 13 54.660 0.40 A 58 LYS CB C 13 33.950 0.40 A 58 LYS CD C 13 28.740 0.40 A 58 LYS CE C 13 42.420 0.40 A 58 LYS CG C 13 25.490 0.40 A 58 LYS N N 15 118.787 0.40 A 59 LEU H H 1 6.661 0.04 A 59 LEU HA H 1 4.780 0.04 A 59 LEU HBy H 1 0.365 0.04 A 59 LEU HBx H 1 0.282 0.04 A 59 LEU HDx% H 1 -0.067 0.04 A 59 LEU HDy% H 1 -0.132 0.04 A 59 LEU HG H 1 0.424 0.04 A 59 LEU C C 13 174.903 0.40 A 59 LEU CA C 13 53.120 0.40 A 59 LEU CB C 13 44.090 0.40 A 59 LEU CDy C 13 25.060 0.40 A 59 LEU CDx C 13 22.900 0.40 A 59 LEU CG C 13 26.130 0.40 A 59 LEU N N 15 117.082 0.40 A 60 LEU H H 1 8.457 0.04 A 60 LEU HA H 1 4.355 0.04 A 60 LEU HBy H 1 1.299 0.04 A 60 LEU HBx H 1 1.177 0.04 A 60 LEU HDx% H 1 0.779 0.04 A 60 LEU HDy% H 1 0.741 0.04 A 60 LEU HG H 1 1.269 0.04 A 60 LEU C C 13 174.005 0.40 A 60 LEU CA C 13 53.830 0.40 A 60 LEU CB C 13 47.040 0.40 A 60 LEU CDx C 13 24.570 0.40 A 60 LEU CDy C 13 24.840 0.40 A 60 LEU CG C 13 27.140 0.40 A 60 LEU N N 15 121.360 0.40 A 61 LEU H H 1 8.556 0.04 A 61 LEU HA H 1 5.446 0.04 A 61 LEU HBx H 1 1.986 0.04 A 61 LEU HBy H 1 1.986 0.04 A 61 LEU HDx% H 1 0.678 0.04 A 61 LEU HDy% H 1 0.467 0.04 A 61 LEU HG H 1 1.450 0.04 A 61 LEU C C 13 175.910 0.40 A 61 LEU CA C 13 53.280 0.40 A 61 LEU CB C 13 45.970 0.40 A 61 LEU CDx C 13 25.240 0.40 A 61 LEU CDy C 13 26.870 0.40 A 61 LEU CG C 13 27.420 0.40 A 61 LEU N N 15 127.886 0.40 A 62 THR H H 1 9.281 0.04 A 62 THR HA H 1 4.749 0.04 A 62 THR HB H 1 4.288 0.04 A 62 THR HG2% H 1 1.106 0.04 A 62 THR C C 13 171.903 0.40 A 62 THR CA C 13 60.240 0.40 A 62 THR CB C 13 71.970 0.40 A 62 THR CG2 C 13 21.150 0.40 A 62 THR N N 15 120.607 0.40 A 63 LYS H H 1 7.967 0.04 A 63 LYS HA H 1 4.228 0.04 A 63 LYS HBx H 1 1.419 0.04 A 63 LYS HBy H 1 1.419 0.04 A 63 LYS HDy H 1 1.275 0.04 A 63 LYS HDx H 1 1.238 0.04 A 63 LYS HEy H 1 2.784 0.04 A 63 LYS HEx H 1 2.743 0.04 A 63 LYS HGy H 1 1.129 0.04 A 63 LYS HGx H 1 1.043 0.04 A 63 LYS CA C 13 57.360 0.40 A 63 LYS CB C 13 33.630 0.40 A 63 LYS CD C 13 29.100 0.40 A 63 LYS CE C 13 41.960 0.40 A 63 LYS CG C 13 24.180 0.40 A 63 LYS N N 15 124.446 0.40 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 3 ARG HA A 3 ARG HDx 1.0 1.8 5.0 2 1 A 3 ARG HA A 3 ARG HDy 1.0 1.8 5.0 3 2 A 3 ARG HDy A 3 ARG HBy 1.0 1.8 5.0 4 2 A 3 ARG HBy A 3 ARG HDx 1.0 1.8 5.0 5 3 A 3 ARG HDy A 3 ARG HBx 1.0 1.8 5.0 6 3 A 3 ARG HBx A 3 ARG HDx 1.0 1.8 5.0 7 4 A 3 ARG HBy A 3 ARG HGy 1.0 1.8 2.7 8 4 A 3 ARG HGx A 3 ARG HBx 1.0 1.8 2.7 9 4 A 3 ARG HBy A 3 ARG HGx 1.0 1.8 2.7 10 4 A 3 ARG HBx A 3 ARG HGy 1.0 1.8 2.7 11 5 A 4 MET HE% A 4 MET HGx 1.0 1.8 5.0 12 6 A 4 MET HE% A 4 MET HGy 1.0 1.8 5.0 13 7 A 4 MET HA A 4 MET HGx 1.0 1.8 5.0 14 7 A 4 MET HA A 4 MET HGy 1.0 1.8 5.0 15 8 A 4 MET HA A 5 ASP H 1.0 1.8 3.5 16 9 A 5 ASP H A 4 MET HBy 1.0 1.8 5.0 17 9 A 5 ASP H A 4 MET HBx 1.0 1.8 5.0 18 10 A 5 ASP H A 4 MET HGx 1.0 1.8 5.0 19 10 A 4 MET HGy A 5 ASP H 1.0 1.8 5.0 20 11 A 5 ASP H A 5 ASP HBx 1.0 1.8 5.0 21 11 A 5 ASP H A 5 ASP HBy 1.0 1.8 5.0 22 12 A 5 ASP HA A 6 ASN H 1.0 1.8 3.5 23 13 A 6 ASN H A 5 ASP HBx 1.0 1.8 5.0 24 14 A 5 ASP HBy A 6 ASN H 1.0 1.8 5.0 25 15 A 6 ASN H A 5 ASP HBx 1.0 1.8 5.0 26 15 A 5 ASP HBy A 6 ASN H 1.0 1.8 5.0 27 16 A 7 THR H A 6 ASN HBy 1.0 1.8 5.0 28 17 A 7 THR H A 6 ASN HA 1.0 1.8 3.5 29 18 A 7 THR H A 6 ASN HBx 1.0 1.8 5.0 30 19 A 7 THR H A 6 ASN HBx 1.0 1.8 5.0 31 19 A 7 THR H A 6 ASN HBy 1.0 1.8 5.0 32 20 A 7 THR H A 6 ASN HD2x 1.0 1.8 5.0 33 20 A 7 THR H A 6 ASN HD2y 1.0 1.8 5.0 34 21 A 7 THR HA A 7 THR HG2% 1.0 1.8 3.5 35 22 A 7 THR H A 7 THR HB 1.0 1.8 5.0 36 23 A 7 THR H A 7 THR HG2% 1.0 1.8 5.0 37 24 A 7 THR HG2% A 8 GLU H 1.0 1.8 5.0 38 25 A 7 THR HA A 8 GLU H 1.0 1.8 3.5 39 26 A 8 GLU HA A 8 GLU HGx 1.0 1.8 5.0 40 26 A 8 GLU HA A 8 GLU HGy 1.0 1.8 5.0 41 27 A 8 GLU H A 8 GLU HBx 1.0 1.8 5.0 42 28 A 8 GLU H A 8 GLU HBy 1.0 1.8 5.0 43 29 A 8 GLU H A 8 GLU HGx 1.0 1.8 5.0 44 29 A 8 GLU H A 8 GLU HGy 1.0 1.8 5.0 45 30 A 8 GLU H A 8 GLU HBx 1.0 1.8 3.5 46 30 A 8 GLU H A 8 GLU HBy 1.0 1.8 3.5 47 31 A 8 GLU HA A 9 LEU H 1.0 1.8 2.7 48 32 A 9 LEU H A 8 GLU HBx 1.0 1.8 5.0 49 33 A 8 GLU HBy A 9 LEU H 1.0 1.8 5.0 50 34 A 9 LEU H A 8 GLU HGx 1.0 1.8 5.0 51 34 A 8 GLU HGy A 9 LEU H 1.0 1.8 5.0 52 35 A 9 LEU H A 8 GLU HBx 1.0 1.8 5.0 53 35 A 8 GLU HBy A 9 LEU H 1.0 1.8 5.0 54 36 A 9 LEU HA A 9 LEU HDx% 1.0 1.8 5.0 55 37 A 9 LEU HDx% A 9 LEU HBx 1.0 1.8 5.0 56 38 A 9 LEU HA A 9 LEU HDy% 1.0 1.8 5.0 57 39 A 9 LEU HBx A 9 LEU HDy% 1.0 1.8 5.0 58 40 A 9 LEU HBy A 9 LEU HDy% 1.0 1.8 5.0 59 41 A 9 LEU HBy A 9 LEU HDx% 1.0 1.8 5.0 60 42 A 9 LEU H A 9 LEU HBx 1.0 1.8 5.0 61 43 A 9 LEU H A 9 LEU HBy 1.0 1.8 5.0 62 44 A 9 LEU H A 9 LEU HDx% 1.0 1.8 5.0 63 45 A 9 LEU H A 9 LEU HDy% 1.0 1.8 5.0 64 46 A 9 LEU H A 9 LEU HG 1.0 1.8 3.5 65 47 A 9 LEU H A 9 LEU HBx 1.0 1.8 3.5 66 47 A 9 LEU H A 9 LEU HBy 1.0 1.8 3.5 67 48 A 9 LEU H A 9 LEU HDy% 1.0 1.8 5.0 68 48 A 9 LEU H A 9 LEU HDx% 1.0 1.8 5.0 69 49 A 9 LEU HA A 9 LEU HDy% 1.0 1.8 5.0 70 49 A 9 LEU HA A 9 LEU HDx% 1.0 1.8 5.0 71 50 A 9 LEU HA A 10 PRO HDy 1.0 1.8 3.5 72 51 A 9 LEU HA A 10 PRO HDx 1.0 1.8 3.5 73 52 A 9 LEU HA A 10 PRO HDx 1.0 1.8 3.5 74 52 A 9 LEU HA A 10 PRO HDy 1.0 1.8 3.5 75 53 A 10 PRO HA A 11 HIS H 1.0 1.8 3.5 76 54 A 11 HIS H A 10 PRO HBy 1.0 1.8 5.0 77 54 A 11 HIS H A 10 PRO HBx 1.0 1.8 5.0 78 55 A 11 HIS H A 10 PRO HDx 1.0 1.8 5.0 79 55 A 10 PRO HDy A 11 HIS H 1.0 1.8 5.0 80 56 A 11 HIS H A 11 HIS HBy 1.0 1.8 5.0 81 56 A 11 HIS H A 11 HIS HBx 1.0 1.8 5.0 82 57 A 11 HIS HA A 12 PRO HDx 1.0 1.8 3.5 83 58 A 11 HIS HA A 12 PRO HDy 1.0 1.8 3.5 84 59 A 12 PRO HA A 13 LYS H 1.0 1.8 2.7 85 60 A 13 LYS H A 12 PRO HBx 1.0 1.8 5.0 86 61 A 13 LYS H A 12 PRO HBy 1.0 1.8 5.0 87 62 A 13 LYS H A 12 PRO HBy 1.0 1.8 5.0 88 62 A 13 LYS H A 12 PRO HBx 1.0 1.8 5.0 89 63 A 13 LYS HDy A 13 LYS HBx 1.0 1.8 3.5 90 63 A 13 LYS HBx A 13 LYS HDx 1.0 1.8 3.5 91 64 A 13 LYS HDy A 13 LYS HBy 1.0 1.8 3.5 92 64 A 13 LYS HBy A 13 LYS HDx 1.0 1.8 3.5 93 65 A 13 LYS HEy A 13 LYS HGx 1.0 1.8 5.0 94 65 A 13 LYS HEx A 13 LYS HGx 1.0 1.8 5.0 95 65 A 13 LYS HGy A 13 LYS HEx 1.0 1.8 5.0 96 65 A 13 LYS HGy A 13 LYS HEy 1.0 1.8 5.0 97 66 A 13 LYS HA A 13 LYS HEx 1.0 1.8 5.0 98 66 A 13 LYS HEy A 13 LYS HA 1.0 1.8 5.0 99 67 A 13 LYS HA A 13 LYS HDx 1.0 1.8 5.0 100 67 A 13 LYS HDy A 13 LYS HA 1.0 1.8 5.0 101 68 A 13 LYS HA A 13 LYS HGx 1.0 1.8 5.0 102 68 A 13 LYS HGy A 13 LYS HA 1.0 1.8 5.0 103 69 A 13 LYS H A 13 LYS HBx 1.0 1.8 3.5 104 70 A 13 LYS H A 13 LYS HBy 1.0 1.8 3.5 105 71 A 13 LYS H A 13 LYS HDx 1.0 1.8 5.0 106 71 A 13 LYS H A 13 LYS HDy 1.0 1.8 5.0 107 72 A 13 LYS H A 13 LYS HGx 1.0 1.8 5.0 108 72 A 13 LYS H A 13 LYS HGy 1.0 1.8 5.0 109 73 A 13 LYS H A 13 LYS HBy 1.0 1.8 3.5 110 73 A 13 LYS H A 13 LYS HBx 1.0 1.8 3.5 111 74 A 13 LYS HBy A 13 LYS HDx 1.0 1.8 3.5 112 74 A 13 LYS HBx A 13 LYS HDx 1.0 1.8 3.5 113 74 A 13 LYS HDy A 13 LYS HBy 1.0 1.8 3.5 114 74 A 13 LYS HDy A 13 LYS HBx 1.0 1.8 3.5 115 75 A 13 LYS HBx A 13 LYS HEx 1.0 1.8 6.0 116 75 A 13 LYS HBy A 13 LYS HEx 1.0 1.8 6.0 117 75 A 13 LYS HEy A 13 LYS HBy 1.0 1.8 6.0 118 75 A 13 LYS HEy A 13 LYS HBx 1.0 1.8 6.0 119 76 A 13 LYS HA A 14 GLU H 1.0 1.8 3.5 120 77 A 13 LYS HBx A 14 GLU H 1.0 1.8 5.0 121 78 A 14 GLU H A 13 LYS HBy 1.0 1.8 5.0 122 79 A 14 GLU H A 13 LYS HGx 1.0 1.8 5.0 123 79 A 13 LYS HGy A 14 GLU H 1.0 1.8 5.0 124 80 A 14 GLU H A 13 LYS HBy 1.0 1.8 5.0 125 80 A 13 LYS HBx A 14 GLU H 1.0 1.8 5.0 126 81 A 14 GLU HA A 14 GLU HGx 1.0 1.8 5.0 127 81 A 14 GLU HA A 14 GLU HGy 1.0 1.8 5.0 128 82 A 14 GLU H A 14 GLU HBx 1.0 1.8 5.0 129 83 A 14 GLU H A 14 GLU HBy 1.0 1.8 5.0 130 84 A 14 GLU H A 14 GLU HGx 1.0 1.8 5.0 131 84 A 14 GLU H A 14 GLU HGy 1.0 1.8 5.0 132 85 A 14 GLU H A 14 GLU HBx 1.0 1.8 3.5 133 85 A 14 GLU H A 14 GLU HBy 1.0 1.8 3.5 134 86 A 14 GLU H A 15 ILE H 1.0 1.8 5.0 135 87 A 14 GLU HA A 15 ILE H 1.0 1.8 2.7 136 88 A 15 ILE H A 14 GLU HBx 1.0 1.8 5.0 137 89 A 14 GLU HBy A 15 ILE H 1.0 1.8 5.0 138 90 A 15 ILE H A 14 GLU HGx 1.0 1.8 5.0 139 90 A 14 GLU HGy A 15 ILE H 1.0 1.8 5.0 140 91 A 15 ILE H A 14 GLU HBx 1.0 1.8 5.0 141 91 A 14 GLU HBy A 15 ILE H 1.0 1.8 5.0 142 92 A 15 ILE HA A 15 ILE HG2% 1.0 1.8 5.0 143 93 A 15 ILE HA A 15 ILE HD1% 1.0 1.8 5.0 144 94 A 15 ILE HD1% A 15 ILE HB 1.0 1.8 5.0 145 95 A 15 ILE HG2% A 15 ILE HG1x 1.0 1.8 5.0 146 96 A 15 ILE HG2% A 15 ILE HG1y 1.0 1.8 5.0 147 97 A 15 ILE H A 15 ILE HB 1.0 1.8 3.5 148 98 A 15 ILE H A 15 ILE HG1x 1.0 1.8 5.0 149 99 A 15 ILE H A 15 ILE HG1y 1.0 1.8 5.0 150 100 A 15 ILE H A 15 ILE HG2% 1.0 1.8 5.0 151 101 A 15 ILE H A 15 ILE HD1% 1.0 1.8 5.0 152 102 A 15 ILE H A 15 ILE HG1x 1.0 1.8 3.5 153 102 A 15 ILE H A 15 ILE HG1y 1.0 1.8 3.5 154 103 A 15 ILE HG2% A 15 ILE HG1x 1.0 1.8 3.5 155 103 A 15 ILE HG2% A 15 ILE HG1y 1.0 1.8 3.5 156 104 A 15 ILE H A 16 ASP H 1.0 1.8 5.0 157 105 A 15 ILE HA A 16 ASP H 1.0 1.8 3.5 158 106 A 15 ILE HG2% A 16 ASP H 1.0 1.8 5.0 159 107 A 16 ASP H A 15 ILE HG1x 1.0 1.8 6.0 160 108 A 15 ILE HG1y A 16 ASP H 1.0 1.8 6.0 161 109 A 16 ASP H A 15 ILE HG1x 1.0 1.8 5.0 162 109 A 15 ILE HG1y A 16 ASP H 1.0 1.8 5.0 163 110 A 16 ASP H A 16 ASP HBx 1.0 1.8 5.0 164 111 A 16 ASP H A 16 ASP HBy 1.0 1.8 5.0 165 112 A 16 ASP H A 16 ASP HBx 1.0 1.8 3.5 166 112 A 16 ASP H A 16 ASP HBy 1.0 1.8 3.5 167 113 A 16 ASP HA A 17 ASN H 1.0 1.8 3.5 168 114 A 17 ASN H A 16 ASP HBx 1.0 1.8 5.0 169 115 A 16 ASP HBy A 17 ASN H 1.0 1.8 5.0 170 116 A 17 ASN H A 16 ASP HBx 1.0 1.8 5.0 171 116 A 16 ASP HBy A 17 ASN H 1.0 1.8 5.0 172 117 A 18 GLU H A 16 ASP HBx 1.0 1.8 6.0 173 117 A 16 ASP HBy A 18 GLU H 1.0 1.8 6.0 174 118 A 17 ASN H A 17 ASN HBy 1.0 1.8 3.5 175 118 A 17 ASN H A 17 ASN HBx 1.0 1.8 3.5 176 119 A 17 ASN HBx A 17 ASN HD2x 1.0 1.8 3.5 177 119 A 17 ASN HBy A 17 ASN HD2x 1.0 1.8 3.5 178 119 A 17 ASN HD2y A 17 ASN HBy 1.0 1.8 3.5 179 119 A 17 ASN HBx A 17 ASN HD2y 1.0 1.8 3.5 180 120 A 17 ASN H A 18 GLU H 1.0 1.8 5.0 181 121 A 18 GLU H A 17 ASN HA 1.0 1.8 3.5 182 122 A 18 GLU H A 17 ASN HBy 1.0 1.8 5.0 183 122 A 18 GLU H A 17 ASN HBx 1.0 1.8 5.0 184 123 A 18 GLU H A 18 GLU HBx 1.0 1.8 5.0 185 124 A 18 GLU H A 18 GLU HBy 1.0 1.8 5.0 186 125 A 18 GLU H A 18 GLU HGx 1.0 1.8 5.0 187 126 A 18 GLU H A 18 GLU HGy 1.0 1.8 5.0 188 127 A 18 GLU H A 18 GLU HBx 1.0 1.8 3.5 189 127 A 18 GLU H A 18 GLU HBy 1.0 1.8 3.5 190 128 A 18 GLU H A 18 GLU HGy 1.0 1.8 3.5 191 128 A 18 GLU H A 18 GLU HGx 1.0 1.8 3.5 192 129 A 18 GLU HA A 19 THR H 1.0 1.8 3.5 193 130 A 18 GLU H A 19 THR H 1.0 1.8 5.0 194 131 A 19 THR H A 18 GLU HBx 1.0 1.8 5.0 195 132 A 18 GLU HBy A 19 THR H 1.0 1.8 5.0 196 133 A 18 GLU HGx A 19 THR H 1.0 1.8 6.0 197 134 A 19 THR H A 18 GLU HGy 1.0 1.8 6.0 198 135 A 19 THR H A 18 GLU HBx 1.0 1.8 5.0 199 135 A 18 GLU HBy A 19 THR H 1.0 1.8 5.0 200 136 A 19 THR H A 18 GLU HGy 1.0 1.8 5.0 201 136 A 18 GLU HGx A 19 THR H 1.0 1.8 5.0 202 137 A 19 THR HA A 19 THR HG2% 1.0 1.8 5.0 203 138 A 19 THR H A 19 THR HB 1.0 1.8 3.5 204 139 A 19 THR H A 19 THR HG2% 1.0 1.8 5.0 205 140 A 19 THR HA A 20 LEU H 1.0 1.8 2.7 206 141 A 19 THR HB A 20 LEU H 1.0 1.8 5.0 207 142 A 19 THR HG2% A 20 LEU H 1.0 1.8 5.0 208 143 A 20 LEU HBx A 20 LEU HDx% 1.0 1.8 5.0 209 144 A 20 LEU HA A 20 LEU HDx% 1.0 1.8 5.0 210 145 A 20 LEU HBy A 20 LEU HDx% 1.0 1.8 5.0 211 146 A 20 LEU HA A 20 LEU HDy% 1.0 1.8 5.0 212 147 A 20 LEU HBx A 20 LEU HDy% 1.0 1.8 5.0 213 148 A 20 LEU HBy A 20 LEU HDy% 1.0 1.8 5.0 214 149 A 20 LEU HBy A 20 LEU HG 1.0 1.8 2.7 215 150 A 20 LEU HA A 20 LEU HG 1.0 1.8 5.0 216 151 A 20 LEU H A 20 LEU HG 1.0 1.8 3.5 217 152 A 20 LEU H A 20 LEU HBy 1.0 1.8 3.5 218 153 A 20 LEU H A 20 LEU HDx% 1.0 1.8 5.0 219 154 A 20 LEU H A 20 LEU HDy% 1.0 1.8 5.0 220 155 A 20 LEU HA A 20 LEU HDy% 1.0 1.8 3.5 221 155 A 20 LEU HA A 20 LEU HDx% 1.0 1.8 3.5 222 156 A 20 LEU HA A 21 LEU HDx% 1.0 1.8 5.0 223 157 A 20 LEU HA A 21 LEU H 1.0 1.8 3.5 224 158 A 20 LEU HBx A 21 LEU H 1.0 1.8 3.5 225 159 A 20 LEU HBy A 21 LEU H 1.0 1.8 3.5 226 160 A 21 LEU H A 20 LEU HDy% 1.0 1.8 5.0 227 160 A 20 LEU HDx% A 21 LEU H 1.0 1.8 5.0 228 161 A 21 LEU HA A 21 LEU HDy% 1.0 1.8 5.0 229 162 A 21 LEU HDx% A 21 LEU HA 1.0 1.8 5.0 230 163 A 21 LEU HDx% A 21 LEU H 1.0 1.8 5.0 231 164 A 21 LEU H A 21 LEU HDy% 1.0 1.8 5.0 232 165 A 21 LEU H A 21 LEU HG 1.0 1.8 5.0 233 166 A 21 LEU H A 21 LEU HBy 1.0 1.8 3.5 234 166 A 21 LEU H A 21 LEU HBx 1.0 1.8 3.5 235 167 A 21 LEU HA A 22 PRO HDy 1.0 1.8 5.0 236 168 A 21 LEU HA A 22 PRO HDx 1.0 1.8 5.0 237 169 A 21 LEU HG A 22 PRO HDx 1.0 1.8 5.0 238 169 A 21 LEU HG A 22 PRO HDy 1.0 1.8 5.0 239 170 A 22 PRO HA A 23 ALA H 1.0 1.8 3.5 240 171 A 23 ALA H A 22 PRO HBy 1.0 1.8 5.0 241 172 A 23 ALA H A 22 PRO HBx 1.0 1.8 5.0 242 173 A 23 ALA H A 22 PRO HGx 1.0 1.8 5.0 243 173 A 23 ALA H A 22 PRO HGy 1.0 1.8 5.0 244 174 A 22 PRO HBy A 24 ALA HA 1.0 1.8 5.0 245 175 A 22 PRO HBy A 24 ALA H 1.0 1.8 5.0 246 176 A 22 PRO HBy A 50 LEU HDy% 1.0 1.8 5.0 247 177 A 23 ALA H A 23 ALA HB% 1.0 1.8 3.5 248 178 A 24 ALA H A 23 ALA HB% 1.0 1.8 3.5 249 179 A 23 ALA H A 24 ALA H 1.0 1.8 5.0 250 180 A 23 ALA HB% A 39 LYS HGx 1.0 1.8 5.0 251 180 A 23 ALA HB% A 39 LYS HGy 1.0 1.8 5.0 252 181 A 23 ALA HB% A 39 LYS HA 1.0 1.8 5.0 253 182 A 23 ALA HB% A 39 LYS HBy 1.0 1.8 5.0 254 183 A 23 ALA HB% A 39 LYS HDx 1.0 1.8 5.0 255 183 A 23 ALA HB% A 39 LYS HDy 1.0 1.8 5.0 256 184 A 23 ALA HB% A 39 LYS HBx 1.0 1.8 5.0 257 185 A 23 ALA HA A 39 LYS HDx 1.0 1.8 5.0 258 185 A 39 LYS HDy A 23 ALA HA 1.0 1.8 5.0 259 186 A 50 LEU HDy% A 23 ALA HB% 1.0 1.8 5.0 260 187 A 23 ALA HB% A 50 LEU HDx% 1.0 1.8 3.5 261 188 A 23 ALA H A 50 LEU HDx% 1.0 1.8 5.0 262 189 A 23 ALA H A 50 LEU HDy% 1.0 1.8 5.0 263 190 A 23 ALA H A 50 LEU HBy 1.0 1.8 6.0 264 191 A 23 ALA HB% A 52 ARG HDx 1.0 1.8 5.0 265 191 A 23 ALA HB% A 52 ARG HDy 1.0 1.8 5.0 266 192 A 23 ALA HB% A 52 ARG HBx 1.0 1.8 5.0 267 193 A 23 ALA HB% A 52 ARG HGx 1.0 1.8 6.0 268 194 A 23 ALA HA A 52 ARG HDx 1.0 1.8 5.0 269 194 A 23 ALA HA A 52 ARG HDy 1.0 1.8 5.0 270 195 A 24 ALA H A 24 ALA HB% 1.0 1.8 3.5 271 196 A 24 ALA HA A 25 GLU H 1.0 1.8 2.7 272 197 A 24 ALA HB% A 25 GLU H 1.0 1.8 3.5 273 198 A 24 ALA H A 25 GLU H 1.0 1.8 5.0 274 199 A 24 ALA HA A 25 GLU HBx 1.0 1.8 6.0 275 199 A 24 ALA HA A 25 GLU HBy 1.0 1.8 6.0 276 200 A 24 ALA HB% A 26 ARG HGy 1.0 1.8 6.0 277 201 A 24 ALA HB% A 26 ARG HBx 1.0 1.8 5.0 278 201 A 24 ALA HB% A 26 ARG HBy 1.0 1.8 5.0 279 202 A 24 ALA HB% A 26 ARG H 1.0 1.8 5.0 280 203 A 24 ALA HA A 26 ARG H 1.0 1.8 6.0 281 204 A 39 LYS HBx A 24 ALA HB% 1.0 1.8 6.0 282 205 A 24 ALA HB% A 39 LYS HGx 1.0 1.8 5.0 283 205 A 39 LYS HGy A 24 ALA HB% 1.0 1.8 5.0 284 206 A 24 ALA HB% A 39 LYS HDx 1.0 1.8 5.0 285 206 A 39 LYS HDy A 24 ALA HB% 1.0 1.8 5.0 286 207 A 24 ALA H A 39 LYS HDx 1.0 1.8 5.0 287 207 A 24 ALA H A 39 LYS HDy 1.0 1.8 5.0 288 208 A 24 ALA H A 39 LYS HBy 1.0 1.8 6.0 289 209 A 24 ALA HB% A 40 VAL HA 1.0 1.8 5.0 290 210 A 24 ALA HB% A 40 VAL H 1.0 1.8 6.0 291 211 A 24 ALA H A 41 ILE HD1% 1.0 1.8 6.0 292 212 A 24 ALA HB% A 41 ILE HG1x 1.0 1.8 5.0 293 213 A 24 ALA HB% A 41 ILE H 1.0 1.8 5.0 294 214 A 24 ALA H A 41 ILE HG1y 1.0 1.8 6.0 295 215 A 50 LEU HDy% A 24 ALA HB% 1.0 1.8 5.0 296 216 A 24 ALA H A 50 LEU HDy% 1.0 1.8 5.0 297 217 A 25 GLU HA A 25 GLU HGy 1.0 1.8 5.0 298 218 A 25 GLU HA A 25 GLU HGx 1.0 1.8 5.0 299 219 A 25 GLU H A 25 GLU HBx 1.0 1.8 5.0 300 220 A 25 GLU H A 25 GLU HBy 1.0 1.8 5.0 301 221 A 25 GLU H A 25 GLU HGx 1.0 1.8 5.0 302 222 A 25 GLU H A 25 GLU HGy 1.0 1.8 5.0 303 223 A 25 GLU H A 25 GLU HBx 1.0 1.8 3.5 304 223 A 25 GLU H A 25 GLU HBy 1.0 1.8 3.5 305 224 A 26 ARG H A 25 GLU HBx 1.0 1.8 5.0 306 225 A 26 ARG H A 25 GLU HA 1.0 1.8 3.5 307 226 A 25 GLU HBy A 26 ARG H 1.0 1.8 5.0 308 227 A 25 GLU H A 26 ARG H 1.0 1.8 5.0 309 228 A 26 ARG H A 25 GLU HBx 1.0 1.8 5.0 310 228 A 25 GLU HBy A 26 ARG H 1.0 1.8 5.0 311 229 A 26 ARG H A 25 GLU HGy 1.0 1.8 5.0 312 229 A 26 ARG H A 25 GLU HGx 1.0 1.8 5.0 313 230 A 25 GLU HA A 27 ARG H 1.0 1.8 6.0 314 231 A 41 ILE HD1% A 25 GLU HGx 1.0 1.8 5.0 315 232 A 41 ILE HD1% A 25 GLU HGy 1.0 1.8 5.0 316 233 A 41 ILE HD1% A 25 GLU HA 1.0 1.8 5.0 317 234 A 41 ILE HD1% A 25 GLU HBx 1.0 1.8 5.0 318 235 A 25 GLU HBy A 41 ILE HD1% 1.0 1.8 5.0 319 236 A 41 ILE HG1x A 25 GLU HA 1.0 1.8 5.0 320 237 A 25 GLU H A 41 ILE HG1x 1.0 1.8 6.0 321 238 A 41 ILE H A 25 GLU HA 1.0 1.8 5.0 322 239 A 41 ILE HD1% A 25 GLU HGy 1.0 1.8 5.0 323 239 A 41 ILE HD1% A 25 GLU HGx 1.0 1.8 5.0 324 240 A 26 ARG HA A 26 ARG HDx 1.0 1.8 5.0 325 240 A 26 ARG HA A 26 ARG HDy 1.0 1.8 5.0 326 241 A 26 ARG HGy A 26 ARG HA 1.0 1.8 5.0 327 242 A 26 ARG H A 26 ARG HBx 1.0 1.8 3.5 328 242 A 26 ARG HBy A 26 ARG H 1.0 1.8 3.5 329 243 A 26 ARG H A 26 ARG HDx 1.0 1.8 5.0 330 243 A 26 ARG H A 26 ARG HDy 1.0 1.8 5.0 331 244 A 26 ARG H A 26 ARG HGx 1.0 1.8 5.0 332 245 A 27 ARG H A 26 ARG HGx 1.0 1.8 5.0 333 246 A 26 ARG HGy A 27 ARG H 1.0 1.8 6.0 334 247 A 27 ARG H A 26 ARG HA 1.0 1.8 3.5 335 248 A 27 ARG H A 26 ARG HBx 1.0 1.8 5.0 336 248 A 26 ARG HBy A 27 ARG H 1.0 1.8 5.0 337 249 A 27 ARG H A 26 ARG HDx 1.0 1.8 6.0 338 249 A 27 ARG H A 26 ARG HDy 1.0 1.8 6.0 339 250 A 26 ARG H A 27 ARG H 1.0 1.8 5.0 340 251 A 28 VAL HGy% A 26 ARG HDx 1.0 1.8 5.0 341 251 A 26 ARG HDy A 28 VAL HGy% 1.0 1.8 5.0 342 252 A 26 ARG HGx A 28 VAL HGy% 1.0 1.8 5.0 343 253 A 26 ARG HA A 28 VAL HGx% 1.0 1.8 5.0 344 254 A 26 ARG HA A 28 VAL HGy% 1.0 1.8 6.0 345 255 A 26 ARG HGx A 28 VAL HGx% 1.0 1.8 5.0 346 256 A 26 ARG HGy A 28 VAL HGy% 1.0 1.8 5.0 347 257 A 28 VAL HGx% A 26 ARG HDx 1.0 1.8 5.0 348 257 A 26 ARG HDy A 28 VAL HGx% 1.0 1.8 5.0 349 258 A 28 VAL HGx% A 26 ARG HBx 1.0 1.8 5.0 350 258 A 26 ARG HBy A 28 VAL HGx% 1.0 1.8 5.0 351 259 A 26 ARG HA A 28 VAL H 1.0 1.8 6.0 352 260 A 26 ARG HGx A 28 VAL H 1.0 1.8 5.0 353 261 A 26 ARG HGy A 40 VAL HGy% 1.0 1.8 5.0 354 262 A 26 ARG HGx A 40 VAL HGy% 1.0 1.8 5.0 355 263 A 40 VAL HGy% A 26 ARG HBx 1.0 1.8 5.0 356 263 A 26 ARG HBy A 40 VAL HGy% 1.0 1.8 5.0 357 264 A 40 VAL HGy% A 26 ARG HDx 1.0 1.8 6.0 358 264 A 26 ARG HDy A 40 VAL HGy% 1.0 1.8 6.0 359 265 A 40 VAL HGx% A 26 ARG HBx 1.0 1.8 5.0 360 265 A 26 ARG HBy A 40 VAL HGx% 1.0 1.8 5.0 361 266 A 26 ARG HGx A 40 VAL HB 1.0 1.8 5.0 362 267 A 40 VAL HB A 26 ARG HDx 1.0 1.8 5.0 363 267 A 26 ARG HDy A 40 VAL HB 1.0 1.8 5.0 364 268 A 26 ARG HGy A 40 VAL HB 1.0 1.8 5.0 365 269 A 40 VAL H A 26 ARG HBx 1.0 1.8 6.0 366 269 A 26 ARG HBy A 40 VAL H 1.0 1.8 6.0 367 270 A 26 ARG H A 41 ILE H 1.0 1.8 5.0 368 271 A 41 ILE H A 26 ARG HGx 1.0 1.8 5.0 369 272 A 41 ILE H A 26 ARG HBx 1.0 1.8 5.0 370 272 A 26 ARG HBy A 41 ILE H 1.0 1.8 5.0 371 273 A 26 ARG H A 41 ILE HG1x 1.0 1.8 5.0 372 274 A 26 ARG H A 41 ILE HG1y 1.0 1.8 5.0 373 275 A 26 ARG H A 41 ILE HD1% 1.0 1.8 5.0 374 276 A 41 ILE H A 26 ARG HDx 1.0 1.8 6.0 375 276 A 41 ILE H A 26 ARG HDy 1.0 1.8 6.0 376 277 A 26 ARG H A 41 ILE HB 1.0 1.8 5.0 377 278 A 27 ARG HA A 27 ARG HDx 1.0 1.8 5.0 378 278 A 27 ARG HA A 27 ARG HDy 1.0 1.8 5.0 379 279 A 27 ARG HE A 27 ARG HBy 1.0 1.8 5.0 380 280 A 27 ARG HE A 27 ARG HBx 1.0 1.8 5.0 381 281 A 27 ARG H A 27 ARG HBx 1.0 1.8 5.0 382 282 A 27 ARG H A 27 ARG HBy 1.0 1.8 5.0 383 283 A 27 ARG H A 27 ARG HDx 1.0 1.8 5.0 384 283 A 27 ARG H A 27 ARG HDy 1.0 1.8 5.0 385 284 A 27 ARG H A 27 ARG HGx 1.0 1.8 5.0 386 285 A 27 ARG H A 27 ARG HGy 1.0 1.8 5.0 387 286 A 27 ARG H A 27 ARG HBx 1.0 1.8 3.5 388 286 A 27 ARG H A 27 ARG HBy 1.0 1.8 3.5 389 287 A 27 ARG H A 27 ARG HGx 1.0 1.8 5.0 390 287 A 27 ARG H A 27 ARG HGy 1.0 1.8 5.0 391 288 A 27 ARG HA A 27 ARG HGx 1.0 1.8 5.0 392 288 A 27 ARG HA A 27 ARG HGy 1.0 1.8 5.0 393 289 A 27 ARG HBx A 27 ARG HDx 1.0 1.8 5.0 394 289 A 27 ARG HBy A 27 ARG HDx 1.0 1.8 5.0 395 289 A 27 ARG HDy A 27 ARG HBx 1.0 1.8 5.0 396 289 A 27 ARG HDy A 27 ARG HBy 1.0 1.8 5.0 397 290 A 27 ARG HE A 27 ARG HBx 1.0 1.8 5.0 398 290 A 27 ARG HE A 27 ARG HBy 1.0 1.8 5.0 399 291 A 28 VAL HGy% A 27 ARG HA 1.0 1.8 5.0 400 292 A 28 VAL HGx% A 27 ARG HA 1.0 1.8 5.0 401 293 A 28 VAL H A 27 ARG HBx 1.0 1.8 5.0 402 294 A 27 ARG H A 28 VAL H 1.0 1.8 5.0 403 295 A 28 VAL H A 27 ARG HA 1.0 1.8 3.5 404 296 A 28 VAL H A 27 ARG HBy 1.0 1.8 5.0 405 297 A 28 VAL H A 27 ARG HDx 1.0 1.8 6.0 406 297 A 28 VAL H A 27 ARG HDy 1.0 1.8 6.0 407 298 A 28 VAL H A 27 ARG HBx 1.0 1.8 5.0 408 298 A 28 VAL H A 27 ARG HBy 1.0 1.8 5.0 409 299 A 28 VAL H A 27 ARG HGx 1.0 1.8 5.0 410 299 A 28 VAL H A 27 ARG HGy 1.0 1.8 5.0 411 300 A 41 ILE HD1% A 27 ARG HGx 1.0 1.8 5.0 412 301 A 41 ILE HG2% A 27 ARG HGx 1.0 1.8 5.0 413 302 A 41 ILE HD1% A 27 ARG HGy 1.0 1.8 5.0 414 303 A 41 ILE HD1% A 27 ARG HBx 1.0 1.8 5.0 415 304 A 27 ARG HA A 41 ILE HG2% 1.0 1.8 5.0 416 305 A 41 ILE HG2% A 27 ARG HBx 1.0 1.8 5.0 417 306 A 27 ARG HBy A 41 ILE HG2% 1.0 1.8 5.0 418 307 A 41 ILE HD1% A 27 ARG HBy 1.0 1.8 5.0 419 308 A 41 ILE HB A 27 ARG HA 1.0 1.8 5.0 420 309 A 27 ARG HGy A 41 ILE HG2% 1.0 1.8 5.0 421 310 A 41 ILE H A 27 ARG HA 1.0 1.8 5.0 422 311 A 41 ILE HD1% A 27 ARG H 1.0 1.8 5.0 423 312 A 41 ILE H A 27 ARG H 1.0 1.8 5.0 424 313 A 27 ARG H A 41 ILE HB 1.0 1.8 5.0 425 314 A 41 ILE HB A 27 ARG HBx 1.0 1.8 5.0 426 314 A 41 ILE HB A 27 ARG HBy 1.0 1.8 5.0 427 315 A 41 ILE HG2% A 27 ARG HBx 1.0 1.8 5.0 428 315 A 27 ARG HBy A 41 ILE HG2% 1.0 1.8 5.0 429 316 A 41 ILE HD1% A 27 ARG HBx 1.0 1.8 5.0 430 316 A 41 ILE HD1% A 27 ARG HBy 1.0 1.8 5.0 431 317 A 41 ILE HB A 27 ARG HGx 1.0 1.8 5.0 432 317 A 41 ILE HB A 27 ARG HGy 1.0 1.8 5.0 433 318 A 41 ILE HG2% A 27 ARG HGx 1.0 1.8 5.0 434 318 A 27 ARG HGy A 41 ILE HG2% 1.0 1.8 5.0 435 319 A 41 ILE HD1% A 27 ARG HGx 1.0 1.8 3.5 436 319 A 41 ILE HD1% A 27 ARG HGy 1.0 1.8 3.5 437 320 A 27 ARG HA A 42 ILE HA 1.0 1.8 5.0 438 321 A 28 VAL HGx% A 28 VAL HA 1.0 1.8 5.0 439 322 A 28 VAL HGy% A 28 VAL HA 1.0 1.8 5.0 440 323 A 28 VAL H A 28 VAL HB 1.0 1.8 5.0 441 324 A 28 VAL HGx% A 28 VAL H 1.0 1.8 3.5 442 325 A 28 VAL HGy% A 28 VAL H 1.0 1.8 3.5 443 326 A 28 VAL HGy% A 29 ASN H 1.0 1.8 5.0 444 327 A 28 VAL HA A 29 ASN H 1.0 1.8 3.5 445 328 A 28 VAL HB A 29 ASN H 1.0 1.8 3.5 446 329 A 28 VAL HGx% A 29 ASN H 1.0 1.8 5.0 447 330 A 28 VAL HGy% A 30 SER HA 1.0 1.8 5.0 448 331 A 28 VAL HGx% A 32 ALA HB% 1.0 1.8 5.0 449 332 A 28 VAL HGy% A 32 ALA HB% 1.0 1.8 5.0 450 333 A 28 VAL HB A 32 ALA HB% 1.0 1.8 5.0 451 334 A 28 VAL HB A 32 ALA HA 1.0 1.8 6.0 452 335 A 28 VAL H A 32 ALA HB% 1.0 1.8 6.0 453 336 A 28 VAL HGy% A 32 ALA H 1.0 1.8 5.0 454 337 A 28 VAL HGy% A 33 LEU HA 1.0 1.8 5.0 455 338 A 28 VAL HGy% A 33 LEU HBx 1.0 1.8 5.0 456 338 A 28 VAL HGy% A 33 LEU HBy 1.0 1.8 5.0 457 339 A 28 VAL HB A 33 LEU H 1.0 1.8 6.0 458 340 A 40 VAL HA A 28 VAL HGy% 1.0 1.8 6.0 459 341 A 40 VAL HGy% A 28 VAL HB 1.0 1.8 5.0 460 342 A 28 VAL HGx% A 40 VAL HGy% 1.0 1.8 5.0 461 343 A 28 VAL H A 40 VAL HGy% 1.0 1.8 5.0 462 344 A 28 VAL HGx% A 40 VAL HB 1.0 1.8 5.0 463 345 A 41 ILE H A 28 VAL HGy% 1.0 1.8 5.0 464 346 A 28 VAL HGy% A 41 ILE HA 1.0 1.8 6.0 465 347 A 41 ILE H A 28 VAL H 1.0 1.8 5.0 466 348 A 28 VAL H A 41 ILE HB 1.0 1.8 5.0 467 349 A 28 VAL HGy% A 42 ILE HG2% 1.0 1.8 5.0 468 350 A 28 VAL HGy% A 42 ILE HA 1.0 1.8 5.0 469 351 A 28 VAL H A 42 ILE HA 1.0 1.8 5.0 470 352 A 28 VAL H A 42 ILE HG2% 1.0 1.8 6.0 471 353 A 28 VAL H A 43 ASP HBy 1.0 1.8 5.0 472 354 A 29 ASN H A 29 ASN HBx 1.0 1.8 3.5 473 354 A 29 ASN H A 29 ASN HBy 1.0 1.8 3.5 474 355 A 29 ASN HA A 29 ASN HD2y 1.0 1.8 6.0 475 356 A 29 ASN HA A 29 ASN HD2x 1.0 1.8 6.0 476 357 A 29 ASN HD2y A 29 ASN HBx 1.0 1.8 5.0 477 357 A 29 ASN HBy A 29 ASN HD2y 1.0 1.8 5.0 478 358 A 29 ASN HD2x A 29 ASN HBx 1.0 1.8 5.0 479 358 A 29 ASN HBy A 29 ASN HD2x 1.0 1.8 5.0 480 359 A 29 ASN HA A 29 ASN HD2y 1.0 1.8 5.0 481 359 A 29 ASN HA A 29 ASN HD2x 1.0 1.8 5.0 482 360 A 29 ASN HBy A 29 ASN HD2x 1.0 1.8 3.5 483 360 A 29 ASN HD2y A 29 ASN HBx 1.0 1.8 3.5 484 360 A 29 ASN HBy A 29 ASN HD2y 1.0 1.8 3.5 485 360 A 29 ASN HD2x A 29 ASN HBx 1.0 1.8 3.5 486 361 A 29 ASN HA A 30 SER H 1.0 1.8 3.5 487 362 A 30 SER H A 29 ASN HBx 1.0 1.8 5.0 488 362 A 29 ASN HBy A 30 SER H 1.0 1.8 5.0 489 363 A 29 ASN HBx A 31 GLN HBx 1.0 1.8 5.0 490 363 A 29 ASN HBy A 31 GLN HBx 1.0 1.8 5.0 491 363 A 31 GLN HBy A 29 ASN HBx 1.0 1.8 5.0 492 363 A 29 ASN HBy A 31 GLN HBy 1.0 1.8 5.0 493 364 A 31 GLN H A 29 ASN HBx 1.0 1.8 5.0 494 364 A 29 ASN HBy A 31 GLN H 1.0 1.8 5.0 495 365 A 29 ASN HA A 31 GLN H 1.0 1.8 5.0 496 366 A 29 ASN HBx A 31 GLN HGy 1.0 1.8 5.0 497 366 A 29 ASN HBy A 31 GLN HGy 1.0 1.8 5.0 498 366 A 31 GLN HGx A 29 ASN HBx 1.0 1.8 5.0 499 366 A 29 ASN HBy A 31 GLN HGx 1.0 1.8 5.0 500 367 A 29 ASN HD2x A 31 GLN HGy 1.0 1.8 5.0 501 367 A 29 ASN HD2y A 31 GLN HGx 1.0 1.8 5.0 502 367 A 29 ASN HD2x A 31 GLN HGx 1.0 1.8 5.0 503 367 A 29 ASN HD2y A 31 GLN HGy 1.0 1.8 5.0 504 368 A 32 ALA HB% A 29 ASN HA 1.0 1.8 6.0 505 369 A 32 ALA HB% A 29 ASN HBx 1.0 1.8 5.0 506 369 A 32 ALA HB% A 29 ASN HBy 1.0 1.8 5.0 507 370 A 29 ASN H A 32 ALA HB% 1.0 1.8 5.0 508 371 A 29 ASN H A 32 ALA H 1.0 1.8 5.0 509 372 A 32 ALA H A 29 ASN HBx 1.0 1.8 5.0 510 372 A 32 ALA H A 29 ASN HBy 1.0 1.8 5.0 511 373 A 32 ALA H A 29 ASN HD2x 1.0 1.8 5.0 512 373 A 32 ALA H A 29 ASN HD2y 1.0 1.8 5.0 513 374 A 43 ASP HBy A 29 ASN HA 1.0 1.8 5.0 514 375 A 29 ASN HA A 43 ASP HBx 1.0 1.8 5.0 515 376 A 43 ASP HBx A 29 ASN HBx 1.0 1.8 5.0 516 376 A 29 ASN HBy A 43 ASP HBx 1.0 1.8 5.0 517 377 A 29 ASN HA A 43 ASP H 1.0 1.8 5.0 518 378 A 29 ASN H A 43 ASP HBy 1.0 1.8 5.0 519 379 A 43 ASP H A 29 ASN HBx 1.0 1.8 6.0 520 379 A 29 ASN HBy A 43 ASP H 1.0 1.8 6.0 521 380 A 30 SER H A 30 SER HBx 1.0 1.8 5.0 522 380 A 30 SER H A 30 SER HBy 1.0 1.8 5.0 523 381 A 30 SER H A 31 GLN HBx 1.0 1.8 6.0 524 381 A 30 SER H A 31 GLN HBy 1.0 1.8 6.0 525 382 A 31 GLN H A 30 SER HBx 1.0 1.8 5.0 526 382 A 31 GLN H A 30 SER HBy 1.0 1.8 5.0 527 383 A 30 SER H A 31 GLN H 1.0 1.8 5.0 528 384 A 30 SER H A 31 GLN HGy 1.0 1.8 6.0 529 384 A 30 SER H A 31 GLN HGx 1.0 1.8 6.0 530 385 A 30 SER HA A 32 ALA H 1.0 1.8 5.0 531 386 A 32 ALA H A 30 SER H 1.0 1.8 5.0 532 387 A 30 SER HA A 33 LEU HBx 1.0 1.8 5.0 533 387 A 30 SER HA A 33 LEU HBy 1.0 1.8 5.0 534 388 A 30 SER HA A 33 LEU HDy% 1.0 1.8 5.0 535 389 A 33 LEU HDy% A 30 SER HBx 1.0 1.8 6.0 536 389 A 30 SER HBy A 33 LEU HDy% 1.0 1.8 6.0 537 390 A 30 SER HA A 33 LEU HDx% 1.0 1.8 5.0 538 391 A 33 LEU HDx% A 30 SER HBx 1.0 1.8 6.0 539 391 A 30 SER HBy A 33 LEU HDx% 1.0 1.8 6.0 540 392 A 30 SER HA A 33 LEU H 1.0 1.8 5.0 541 393 A 30 SER HA A 42 ILE HG2% 1.0 1.8 5.0 542 394 A 42 ILE HG2% A 30 SER H 1.0 1.8 5.0 543 395 A 42 ILE HA A 30 SER H 1.0 1.8 6.0 544 396 A 30 SER H A 43 ASP HBx 1.0 1.8 5.0 545 397 A 43 ASP HBy A 30 SER H 1.0 1.8 6.0 546 398 A 30 SER HA A 43 ASP H 1.0 1.8 5.0 547 399 A 30 SER H A 43 ASP H 1.0 1.8 5.0 548 400 A 44 HIS HBx A 30 SER HBx 1.0 1.8 5.0 549 400 A 30 SER HBy A 44 HIS HBx 1.0 1.8 5.0 550 401 A 44 HIS HA A 30 SER HBx 1.0 1.8 5.0 551 401 A 30 SER HBy A 44 HIS HA 1.0 1.8 5.0 552 402 A 30 SER H A 44 HIS HBx 1.0 1.8 6.0 553 403 A 31 GLN HGx A 31 GLN HA 1.0 1.8 5.0 554 404 A 31 GLN HA A 31 GLN HGy 1.0 1.8 5.0 555 405 A 31 GLN H A 31 GLN HBx 1.0 1.8 3.5 556 405 A 31 GLN HBy A 31 GLN H 1.0 1.8 3.5 557 406 A 31 GLN H A 31 GLN HGx 1.0 1.8 5.0 558 407 A 31 GLN H A 31 GLN HGy 1.0 1.8 5.0 559 408 A 31 GLN H A 31 GLN HGy 1.0 1.8 3.5 560 408 A 31 GLN H A 31 GLN HGx 1.0 1.8 3.5 561 409 A 31 GLN HA A 31 GLN HGy 1.0 1.8 3.5 562 409 A 31 GLN HGx A 31 GLN HA 1.0 1.8 3.5 563 410 A 31 GLN HBy A 31 GLN HE2x 1.0 1.8 5.0 564 410 A 31 GLN HBx A 31 GLN HE2x 1.0 1.8 5.0 565 410 A 31 GLN HE2y A 31 GLN HBx 1.0 1.8 5.0 566 410 A 31 GLN HBy A 31 GLN HE2y 1.0 1.8 5.0 567 411 A 32 ALA HB% A 31 GLN HA 1.0 1.8 6.0 568 412 A 32 ALA HB% A 31 GLN H 1.0 1.8 5.0 569 413 A 32 ALA H A 31 GLN HBx 1.0 1.8 3.5 570 413 A 32 ALA H A 31 GLN HBy 1.0 1.8 3.5 571 414 A 32 ALA H A 31 GLN HGx 1.0 1.8 5.0 572 415 A 32 ALA H A 31 GLN HGy 1.0 1.8 5.0 573 416 A 32 ALA H A 31 GLN H 1.0 1.8 3.5 574 417 A 32 ALA H A 31 GLN HGy 1.0 1.8 5.0 575 417 A 32 ALA H A 31 GLN HGx 1.0 1.8 5.0 576 418 A 33 LEU H A 31 GLN H 1.0 1.8 5.0 577 419 A 33 LEU H A 31 GLN HA 1.0 1.8 5.0 578 420 A 33 LEU H A 31 GLN HBx 1.0 1.8 5.0 579 420 A 33 LEU H A 31 GLN HBy 1.0 1.8 5.0 580 421 A 31 GLN H A 33 LEU HDy% 1.0 1.8 6.0 581 422 A 42 ILE HG2% A 31 GLN H 1.0 1.8 6.0 582 423 A 32 ALA HB% A 32 ALA H 1.0 1.8 3.5 583 424 A 32 ALA HB% A 33 LEU HA 1.0 1.8 5.0 584 425 A 32 ALA HA A 33 LEU HDy% 1.0 1.8 5.0 585 426 A 32 ALA H A 33 LEU HBx 1.0 1.8 5.0 586 426 A 32 ALA H A 33 LEU HBy 1.0 1.8 5.0 587 427 A 32 ALA H A 33 LEU HA 1.0 1.8 5.0 588 428 A 32 ALA H A 33 LEU HDy% 1.0 1.8 5.0 589 429 A 32 ALA HB% A 33 LEU H 1.0 1.8 5.0 590 430 A 32 ALA H A 33 LEU H 1.0 1.8 3.5 591 431 A 32 ALA HB% A 34 LEU H 1.0 1.8 5.0 592 432 A 32 ALA HA A 34 LEU H 1.0 1.8 5.0 593 433 A 32 ALA HB% A 35 GLY HAx 1.0 1.8 6.0 594 434 A 32 ALA HA A 35 GLY HAy 1.0 1.8 5.0 595 435 A 32 ALA HA A 35 GLY H 1.0 1.8 5.0 596 436 A 40 VAL HGy% A 32 ALA HB% 1.0 1.8 5.0 597 437 A 33 LEU HA A 33 LEU HDx% 1.0 1.8 5.0 598 438 A 33 LEU HA A 33 LEU HDy% 1.0 1.8 5.0 599 439 A 33 LEU HDy% A 33 LEU HBx 1.0 1.8 3.5 600 439 A 33 LEU HBy A 33 LEU HDy% 1.0 1.8 3.5 601 440 A 33 LEU HDx% A 33 LEU HBx 1.0 1.8 3.5 602 440 A 33 LEU HBy A 33 LEU HDx% 1.0 1.8 3.5 603 441 A 33 LEU H A 33 LEU HBx 1.0 1.8 3.5 604 441 A 33 LEU HBy A 33 LEU H 1.0 1.8 3.5 605 442 A 33 LEU H A 33 LEU HDy% 1.0 1.8 5.0 606 443 A 33 LEU H A 33 LEU HDx% 1.0 1.8 5.0 607 444 A 34 LEU HDy% A 33 LEU HBx 1.0 1.8 5.0 608 444 A 33 LEU HBy A 34 LEU HDy% 1.0 1.8 5.0 609 445 A 33 LEU HDx% A 34 LEU HDy% 1.0 1.8 5.0 610 446 A 34 LEU HDy% A 33 LEU HG 1.0 1.8 5.0 611 447 A 33 LEU HDx% A 34 LEU HDx% 1.0 1.8 5.0 612 448 A 33 LEU HG A 34 LEU HG 1.0 1.8 5.0 613 449 A 34 LEU H A 33 LEU HBx 1.0 1.8 5.0 614 449 A 33 LEU HBy A 34 LEU H 1.0 1.8 5.0 615 450 A 33 LEU HDy% A 34 LEU HG 1.0 1.8 6.0 616 451 A 33 LEU HDy% A 34 LEU HA 1.0 1.8 5.0 617 452 A 33 LEU HDy% A 34 LEU HBy 1.0 1.8 5.0 618 453 A 33 LEU H A 34 LEU HBy 1.0 1.8 6.0 619 454 A 33 LEU H A 34 LEU H 1.0 1.8 3.5 620 455 A 34 LEU H A 33 LEU HG 1.0 1.8 3.5 621 456 A 33 LEU HDx% A 34 LEU H 1.0 1.8 5.0 622 457 A 33 LEU HDy% A 34 LEU H 1.0 1.8 5.0 623 458 A 33 LEU HDy% A 35 GLY H 1.0 1.8 5.0 624 459 A 40 VAL HGy% A 33 LEU HA 1.0 1.8 5.0 625 460 A 42 ILE HD1% A 33 LEU HBx 1.0 1.8 6.0 626 460 A 33 LEU HBy A 42 ILE HD1% 1.0 1.8 6.0 627 461 A 33 LEU HDx% A 42 ILE HD1% 1.0 1.8 5.0 628 462 A 42 ILE HG2% A 33 LEU HDx% 1.0 1.8 5.0 629 463 A 42 ILE HB A 33 LEU HBx 1.0 1.8 5.0 630 463 A 33 LEU HBy A 42 ILE HB 1.0 1.8 5.0 631 464 A 33 LEU HA A 42 ILE H 1.0 1.8 5.0 632 465 A 33 LEU HA A 42 ILE HG2% 1.0 1.8 6.0 633 466 A 33 LEU HA A 42 ILE HG1x 1.0 1.8 5.0 634 467 A 42 ILE HG2% A 33 LEU HBx 1.0 1.8 5.0 635 467 A 33 LEU HBy A 42 ILE HG2% 1.0 1.8 5.0 636 468 A 33 LEU HA A 42 ILE HG1y 1.0 1.8 6.0 637 469 A 42 ILE HA A 33 LEU HBx 1.0 1.8 5.0 638 469 A 42 ILE HA A 33 LEU HBy 1.0 1.8 5.0 639 470 A 43 ASP H A 33 LEU HBx 1.0 1.8 6.0 640 470 A 33 LEU HBy A 43 ASP H 1.0 1.8 6.0 641 471 A 33 LEU HG A 51 LEU HDy% 1.0 1.8 5.0 642 472 A 33 LEU HDx% A 51 LEU HDy% 1.0 1.8 3.5 643 473 A 33 LEU HDx% A 51 LEU HDx% 1.0 1.8 5.0 644 474 A 33 LEU HDx% A 51 LEU HBy 1.0 1.8 5.0 645 475 A 33 LEU HDx% A 59 LEU HDx% 1.0 1.8 5.0 646 476 A 33 LEU HDx% A 59 LEU HDy% 1.0 1.8 5.0 647 477 A 34 LEU HDx% A 34 LEU HA 1.0 1.8 5.0 648 478 A 34 LEU HDx% A 34 LEU HBx 1.0 1.8 5.0 649 479 A 34 LEU HDx% A 34 LEU HBy 1.0 1.8 5.0 650 480 A 34 LEU H A 34 LEU HDx% 1.0 1.8 5.0 651 481 A 34 LEU HDy% A 34 LEU HA 1.0 1.8 3.5 652 482 A 34 LEU HDy% A 34 LEU HBx 1.0 1.8 5.0 653 483 A 34 LEU HDy% A 34 LEU HBy 1.0 1.8 5.0 654 484 A 34 LEU H A 34 LEU HBx 1.0 1.8 5.0 655 485 A 34 LEU H A 34 LEU HBy 1.0 1.8 5.0 656 486 A 34 LEU H A 34 LEU HG 1.0 1.8 5.0 657 487 A 34 LEU H A 35 GLY H 1.0 1.8 5.0 658 488 A 35 GLY H A 34 LEU HBx 1.0 1.8 5.0 659 489 A 35 GLY H A 34 LEU HBy 1.0 1.8 5.0 660 490 A 35 GLY H A 34 LEU HG 1.0 1.8 5.0 661 491 A 34 LEU HDy% A 38 GLY H 1.0 1.8 5.0 662 492 A 34 LEU HBx A 38 GLY H 1.0 1.8 5.0 663 493 A 34 LEU HA A 38 GLY H 1.0 1.8 5.0 664 494 A 34 LEU HDx% A 38 GLY HAx 1.0 1.8 5.0 665 494 A 34 LEU HDx% A 38 GLY HAy 1.0 1.8 5.0 666 495 A 34 LEU HDy% A 38 GLY HAx 1.0 1.8 5.0 667 495 A 34 LEU HDy% A 38 GLY HAy 1.0 1.8 5.0 668 496 A 39 LYS HA A 34 LEU HDy% 1.0 1.8 5.0 669 497 A 34 LEU HDy% A 39 LYS H 1.0 1.8 5.0 670 498 A 40 VAL HGx% A 34 LEU HA 1.0 1.8 5.0 671 499 A 40 VAL HGy% A 34 LEU HA 1.0 1.8 5.0 672 500 A 40 VAL HGy% A 34 LEU H 1.0 1.8 5.0 673 501 A 40 VAL H A 34 LEU HDy% 1.0 1.8 5.0 674 502 A 34 LEU HDy% A 51 LEU HDx% 1.0 1.8 3.5 675 503 A 34 LEU HDy% A 51 LEU HBy 1.0 1.8 5.0 676 504 A 34 LEU HDy% A 51 LEU HG 1.0 1.8 5.0 677 505 A 34 LEU HDy% A 51 LEU HBx 1.0 1.8 5.0 678 506 A 34 LEU H A 51 LEU HDy% 1.0 1.8 5.0 679 507 A 34 LEU HDy% A 51 LEU HDy% 1.0 1.8 3.5 680 508 A 34 LEU HDy% A 52 ARG HA 1.0 1.8 5.0 681 509 A 34 LEU HDy% A 52 ARG H 1.0 1.8 5.0 682 510 A 34 LEU HDx% A 53 LYS HGy 1.0 1.8 5.0 683 511 A 34 LEU HDx% A 53 LYS HDy 1.0 1.8 5.0 684 512 A 34 LEU HDx% A 53 LYS HEx 1.0 1.8 5.0 685 512 A 34 LEU HDx% A 53 LYS HEy 1.0 1.8 5.0 686 513 A 34 LEU HDx% A 53 LYS HDx 1.0 1.8 5.0 687 514 A 34 LEU HDy% A 53 LYS HGy 1.0 1.8 5.0 688 515 A 34 LEU HBx A 53 LYS HGx 1.0 1.8 5.0 689 516 A 34 LEU HDx% A 53 LYS HBx 1.0 1.8 5.0 690 517 A 34 LEU HDx% A 53 LYS HGx 1.0 1.8 5.0 691 518 A 34 LEU HDy% A 53 LYS HGx 1.0 1.8 5.0 692 519 A 34 LEU HDy% A 53 LYS H 1.0 1.8 5.0 693 520 A 34 LEU HDx% A 59 LEU HDy% 1.0 1.8 5.0 694 521 A 34 LEU HDx% A 59 LEU HDx% 1.0 1.8 5.0 695 522 A 34 LEU HA A 59 LEU HDy% 1.0 1.8 6.0 696 523 A 34 LEU HDy% A 59 LEU HDy% 1.0 1.8 5.0 697 524 A 34 LEU HDy% A 59 LEU HDx% 1.0 1.8 5.0 698 525 A 35 GLY HAx A 36 PRO HDy 1.0 1.8 5.0 699 526 A 35 GLY HAy A 36 PRO HDy 1.0 1.8 5.0 700 527 A 35 GLY HAy A 36 PRO HDx 1.0 1.8 5.0 701 528 A 35 GLY HAx A 36 PRO HDx 1.0 1.8 5.0 702 529 A 35 GLY H A 36 PRO HDx 1.0 1.8 5.0 703 529 A 35 GLY H A 36 PRO HDy 1.0 1.8 5.0 704 530 A 35 GLY HAy A 36 PRO HDx 1.0 1.8 5.0 705 530 A 35 GLY HAy A 36 PRO HDy 1.0 1.8 5.0 706 531 A 35 GLY HAx A 36 PRO HDx 1.0 1.8 3.5 707 531 A 35 GLY HAx A 36 PRO HDy 1.0 1.8 3.5 708 532 A 35 GLY HAx A 37 ASP H 1.0 1.8 5.0 709 533 A 35 GLY HAy A 37 ASP H 1.0 1.8 5.0 710 534 A 35 GLY H A 37 ASP H 1.0 1.8 5.0 711 535 A 35 GLY HAx A 38 GLY H 1.0 1.8 5.0 712 536 A 40 VAL HGy% A 35 GLY H 1.0 1.8 6.0 713 537 A 37 ASP H A 36 PRO HBy 1.0 1.8 5.0 714 538 A 37 ASP H A 36 PRO HBx 1.0 1.8 5.0 715 539 A 37 ASP H A 36 PRO HDx 1.0 1.8 5.0 716 540 A 36 PRO HDy A 37 ASP H 1.0 1.8 5.0 717 541 A 37 ASP H A 36 PRO HGx 1.0 1.8 3.5 718 541 A 37 ASP H A 36 PRO HGy 1.0 1.8 3.5 719 542 A 37 ASP H A 36 PRO HDx 1.0 1.8 3.5 720 542 A 36 PRO HDy A 37 ASP H 1.0 1.8 3.5 721 543 A 38 GLY H A 36 PRO HA 1.0 1.8 5.0 722 544 A 37 ASP H A 37 ASP HBx 1.0 1.8 5.0 723 545 A 37 ASP H A 37 ASP HBy 1.0 1.8 5.0 724 546 A 37 ASP H A 37 ASP HBx 1.0 1.8 3.5 725 546 A 37 ASP H A 37 ASP HBy 1.0 1.8 3.5 726 547 A 38 GLY H A 37 ASP H 1.0 1.8 3.5 727 548 A 38 GLY H A 37 ASP HBx 1.0 1.8 5.0 728 549 A 38 GLY H A 37 ASP HBy 1.0 1.8 5.0 729 550 A 37 ASP H A 38 GLY HAx 1.0 1.8 5.0 730 550 A 38 GLY HAy A 37 ASP H 1.0 1.8 5.0 731 551 A 39 LYS H A 37 ASP HBx 1.0 1.8 5.0 732 551 A 39 LYS H A 37 ASP HBy 1.0 1.8 5.0 733 552 A 38 GLY H A 39 LYS H 1.0 1.8 3.5 734 553 A 38 GLY HAy A 39 LYS HGx 1.0 1.8 5.0 735 553 A 38 GLY HAx A 39 LYS HGx 1.0 1.8 5.0 736 553 A 39 LYS HGy A 38 GLY HAx 1.0 1.8 5.0 737 553 A 39 LYS HGy A 38 GLY HAy 1.0 1.8 5.0 738 554 A 53 LYS HEy A 38 GLY HAx 1.0 1.8 5.0 739 554 A 38 GLY HAx A 53 LYS HEx 1.0 1.8 5.0 740 555 A 38 GLY HAy A 53 LYS HEy 1.0 1.8 5.0 741 555 A 38 GLY HAy A 53 LYS HEx 1.0 1.8 5.0 742 556 A 38 GLY H A 53 LYS HDx 1.0 1.8 5.0 743 556 A 38 GLY H A 53 LYS HDy 1.0 1.8 5.0 744 557 A 53 LYS H A 38 GLY HAx 1.0 1.8 5.0 745 557 A 38 GLY HAy A 53 LYS H 1.0 1.8 5.0 746 558 A 53 LYS HGx A 38 GLY HAx 1.0 1.8 6.0 747 558 A 38 GLY HAy A 53 LYS HGx 1.0 1.8 6.0 748 559 A 38 GLY HAy A 53 LYS HEx 1.0 1.8 5.0 749 559 A 38 GLY HAx A 53 LYS HEx 1.0 1.8 5.0 750 559 A 53 LYS HEy A 38 GLY HAx 1.0 1.8 5.0 751 559 A 38 GLY HAy A 53 LYS HEy 1.0 1.8 5.0 752 560 A 39 LYS HBy A 39 LYS HDx 1.0 1.8 5.0 753 560 A 39 LYS HBy A 39 LYS HDy 1.0 1.8 5.0 754 561 A 39 LYS HBx A 39 LYS HDx 1.0 1.8 5.0 755 561 A 39 LYS HDy A 39 LYS HBx 1.0 1.8 5.0 756 562 A 39 LYS HBy A 39 LYS HEx 1.0 1.8 5.0 757 562 A 39 LYS HBy A 39 LYS HEy 1.0 1.8 5.0 758 563 A 39 LYS HBx A 39 LYS HEx 1.0 1.8 5.0 759 563 A 39 LYS HBx A 39 LYS HEy 1.0 1.8 5.0 760 564 A 39 LYS HEx A 39 LYS HGx 1.0 1.8 3.5 761 564 A 39 LYS HEy A 39 LYS HGx 1.0 1.8 3.5 762 564 A 39 LYS HGy A 39 LYS HEx 1.0 1.8 3.5 763 564 A 39 LYS HGy A 39 LYS HEy 1.0 1.8 3.5 764 565 A 39 LYS HA A 39 LYS HGx 1.0 1.8 5.0 765 565 A 39 LYS HGy A 39 LYS HA 1.0 1.8 5.0 766 566 A 39 LYS HA A 39 LYS HDx 1.0 1.8 5.0 767 566 A 39 LYS HA A 39 LYS HDy 1.0 1.8 5.0 768 567 A 39 LYS HA A 39 LYS HEx 1.0 1.8 6.0 769 567 A 39 LYS HA A 39 LYS HEy 1.0 1.8 6.0 770 568 A 39 LYS HBy A 39 LYS H 1.0 1.8 5.0 771 569 A 39 LYS HBx A 39 LYS H 1.0 1.8 5.0 772 570 A 39 LYS H A 39 LYS HDx 1.0 1.8 5.0 773 570 A 39 LYS HDy A 39 LYS H 1.0 1.8 5.0 774 571 A 39 LYS H A 39 LYS HGx 1.0 1.8 3.5 775 571 A 39 LYS HGy A 39 LYS H 1.0 1.8 3.5 776 572 A 39 LYS HBy A 40 VAL HGx% 1.0 1.8 5.0 777 573 A 40 VAL HGx% A 39 LYS H 1.0 1.8 5.0 778 574 A 40 VAL H A 39 LYS H 1.0 1.8 5.0 779 575 A 39 LYS HA A 40 VAL H 1.0 1.8 3.5 780 576 A 39 LYS HBy A 40 VAL H 1.0 1.8 5.0 781 577 A 39 LYS HBx A 40 VAL H 1.0 1.8 5.0 782 578 A 40 VAL H A 39 LYS HDx 1.0 1.8 6.0 783 578 A 39 LYS HDy A 40 VAL H 1.0 1.8 6.0 784 579 A 40 VAL H A 39 LYS HGx 1.0 1.8 5.0 785 579 A 39 LYS HGy A 40 VAL H 1.0 1.8 5.0 786 580 A 50 LEU HDy% A 39 LYS HDx 1.0 1.8 5.0 787 580 A 50 LEU HDy% A 39 LYS HDy 1.0 1.8 5.0 788 581 A 50 LEU HDx% A 39 LYS HGx 1.0 1.8 6.0 789 581 A 39 LYS HGy A 50 LEU HDx% 1.0 1.8 6.0 790 582 A 39 LYS HBx A 50 LEU HDx% 1.0 1.8 5.0 791 583 A 39 LYS HBy A 50 LEU HDx% 1.0 1.8 5.0 792 584 A 50 LEU HDy% A 39 LYS HBy 1.0 1.8 5.0 793 585 A 39 LYS HA A 50 LEU HDx% 1.0 1.8 5.0 794 586 A 39 LYS HA A 51 LEU HG 1.0 1.8 5.0 795 587 A 39 LYS HA A 52 ARG HA 1.0 1.8 5.0 796 588 A 52 ARG HBy A 39 LYS HGx 1.0 1.8 5.0 797 588 A 39 LYS HGy A 52 ARG HBy 1.0 1.8 5.0 798 589 A 39 LYS HBy A 52 ARG HDx 1.0 1.8 5.0 799 589 A 39 LYS HBy A 52 ARG HDy 1.0 1.8 5.0 800 590 A 39 LYS HA A 52 ARG HBy 1.0 1.8 5.0 801 591 A 39 LYS HBx A 52 ARG HBy 1.0 1.8 5.0 802 592 A 52 ARG HBy A 39 LYS HDx 1.0 1.8 5.0 803 592 A 39 LYS HDy A 52 ARG HBy 1.0 1.8 5.0 804 593 A 39 LYS HBx A 52 ARG HDx 1.0 1.8 5.0 805 593 A 39 LYS HBx A 52 ARG HDy 1.0 1.8 5.0 806 594 A 39 LYS HBx A 52 ARG HBx 1.0 1.8 5.0 807 595 A 39 LYS H A 52 ARG HA 1.0 1.8 5.0 808 596 A 39 LYS HBy A 52 ARG H 1.0 1.8 6.0 809 597 A 39 LYS HA A 52 ARG H 1.0 1.8 5.0 810 598 A 39 LYS HA A 53 LYS H 1.0 1.8 5.0 811 599 A 39 LYS H A 53 LYS H 1.0 1.8 6.0 812 600 A 39 LYS HBx A 53 LYS H 1.0 1.8 5.0 813 601 A 40 VAL HA A 40 VAL HGy% 1.0 1.8 5.0 814 602 A 40 VAL HA A 40 VAL HGx% 1.0 1.8 5.0 815 603 A 40 VAL H A 40 VAL HGy% 1.0 1.8 5.0 816 604 A 40 VAL H A 40 VAL HGx% 1.0 1.8 3.5 817 605 A 40 VAL HGy% A 41 ILE HB 1.0 1.8 5.0 818 606 A 40 VAL H A 41 ILE H 1.0 1.8 5.0 819 607 A 40 VAL HA A 41 ILE H 1.0 1.8 3.5 820 608 A 41 ILE H A 40 VAL HB 1.0 1.8 5.0 821 609 A 41 ILE H A 40 VAL HGy% 1.0 1.8 3.5 822 610 A 41 ILE H A 40 VAL HGx% 1.0 1.8 5.0 823 611 A 40 VAL HGy% A 42 ILE HG1x 1.0 1.8 5.0 824 612 A 40 VAL HGy% A 42 ILE HD1% 1.0 1.8 5.0 825 613 A 40 VAL HGy% A 42 ILE HA 1.0 1.8 5.0 826 614 A 50 LEU HDy% A 40 VAL H 1.0 1.8 5.0 827 615 A 40 VAL H A 50 LEU HA 1.0 1.8 6.0 828 616 A 40 VAL HGy% A 51 LEU HBx 1.0 1.8 5.0 829 617 A 40 VAL H A 51 LEU H 1.0 1.8 5.0 830 618 A 40 VAL H A 51 LEU HBy 1.0 1.8 6.0 831 619 A 40 VAL H A 51 LEU HBx 1.0 1.8 6.0 832 620 A 40 VAL HGy% A 51 LEU H 1.0 1.8 5.0 833 621 A 40 VAL H A 51 LEU HA 1.0 1.8 6.0 834 622 A 40 VAL H A 52 ARG HA 1.0 1.8 5.0 835 623 A 40 VAL H A 52 ARG HBy 1.0 1.8 6.0 836 624 A 52 ARG HBx A 40 VAL H 1.0 1.8 5.0 837 625 A 40 VAL H A 52 ARG H 1.0 1.8 6.0 838 626 A 41 ILE HD1% A 41 ILE HA 1.0 1.8 5.0 839 627 A 41 ILE HD1% A 41 ILE HB 1.0 1.8 3.5 840 628 A 41 ILE HD1% A 41 ILE HG2% 1.0 1.8 2.7 841 629 A 41 ILE HG1y A 41 ILE HG2% 1.0 1.8 5.0 842 630 A 41 ILE HG1x A 41 ILE HG2% 1.0 1.8 5.0 843 631 A 41 ILE HG1y A 41 ILE HA 1.0 1.8 3.5 844 632 A 41 ILE HG1x A 41 ILE HA 1.0 1.8 5.0 845 633 A 41 ILE HG2% A 41 ILE HA 1.0 1.8 3.5 846 634 A 41 ILE H A 41 ILE HB 1.0 1.8 3.5 847 635 A 41 ILE HD1% A 41 ILE H 1.0 1.8 5.0 848 636 A 41 ILE H A 41 ILE HG1y 1.0 1.8 5.0 849 637 A 41 ILE HG1x A 41 ILE H 1.0 1.8 5.0 850 638 A 41 ILE HG2% A 42 ILE HB 1.0 1.8 5.0 851 639 A 41 ILE HA A 42 ILE HD1% 1.0 1.8 5.0 852 640 A 41 ILE HG1y A 42 ILE H 1.0 1.8 5.0 853 641 A 41 ILE HA A 42 ILE H 1.0 1.8 3.5 854 642 A 41 ILE HG2% A 42 ILE H 1.0 1.8 5.0 855 643 A 41 ILE HG2% A 43 ASP HA 1.0 1.8 5.0 856 644 A 41 ILE HG2% A 43 ASP H 1.0 1.8 5.0 857 645 A 41 ILE HG2% A 48 GLU HBx 1.0 1.8 5.0 858 646 A 41 ILE HG2% A 48 GLU HBy 1.0 1.8 5.0 859 647 A 41 ILE HG2% A 48 GLU HA 1.0 1.8 5.0 860 648 A 41 ILE HG2% A 48 GLU HGy 1.0 1.8 5.0 861 648 A 41 ILE HG2% A 48 GLU HGx 1.0 1.8 5.0 862 649 A 41 ILE HD1% A 48 GLU HGy 1.0 1.8 6.0 863 649 A 41 ILE HD1% A 48 GLU HGx 1.0 1.8 6.0 864 650 A 41 ILE HG2% A 49 TYR H 1.0 1.8 5.0 865 651 A 50 LEU HDx% A 41 ILE HA 1.0 1.8 5.0 866 652 A 41 ILE HD1% A 50 LEU HA 1.0 1.8 5.0 867 653 A 41 ILE HG1y A 50 LEU HA 1.0 1.8 5.0 868 654 A 50 LEU HBy A 41 ILE HG1y 1.0 1.8 6.0 869 655 A 50 LEU HDy% A 41 ILE HG1y 1.0 1.8 5.0 870 656 A 50 LEU HDy% A 41 ILE HG1x 1.0 1.8 5.0 871 657 A 41 ILE HA A 50 LEU HA 1.0 1.8 3.5 872 658 A 41 ILE HG2% A 50 LEU HA 1.0 1.8 5.0 873 659 A 50 LEU HDy% A 41 ILE HA 1.0 1.8 3.5 874 660 A 41 ILE HA A 51 LEU H 1.0 1.8 5.0 875 661 A 42 ILE HD1% A 42 ILE HB 1.0 1.8 5.0 876 662 A 42 ILE HG2% A 42 ILE HD1% 1.0 1.8 3.5 877 663 A 42 ILE HA A 42 ILE HD1% 1.0 1.8 5.0 878 664 A 42 ILE HA A 42 ILE HG2% 1.0 1.8 3.5 879 665 A 42 ILE HA A 42 ILE HG1x 1.0 1.8 5.0 880 666 A 42 ILE HB A 42 ILE H 1.0 1.8 5.0 881 667 A 42 ILE HD1% A 42 ILE H 1.0 1.8 5.0 882 668 A 42 ILE H A 42 ILE HG1y 1.0 1.8 5.0 883 669 A 42 ILE H A 42 ILE HG1x 1.0 1.8 5.0 884 670 A 42 ILE HG2% A 43 ASP HA 1.0 1.8 5.0 885 671 A 42 ILE H A 43 ASP HA 1.0 1.8 6.0 886 672 A 42 ILE HA A 43 ASP H 1.0 1.8 3.5 887 673 A 43 ASP H A 42 ILE HB 1.0 1.8 6.0 888 674 A 43 ASP H A 42 ILE HD1% 1.0 1.8 6.0 889 675 A 42 ILE HG2% A 43 ASP H 1.0 1.8 5.0 890 676 A 42 ILE HG2% A 44 HIS HBx 1.0 1.8 5.0 891 677 A 42 ILE HG2% A 44 HIS HBy 1.0 1.8 5.0 892 678 A 42 ILE HG2% A 48 GLU HA 1.0 1.8 5.0 893 679 A 42 ILE HD1% A 49 TYR HBy 1.0 1.8 5.0 894 680 A 42 ILE HG2% A 49 TYR HBy 1.0 1.8 5.0 895 681 A 42 ILE HB A 49 TYR HBx 1.0 1.8 6.0 896 682 A 42 ILE HG2% A 49 TYR HD% 1.0 1.8 5.0 897 683 A 42 ILE HG2% A 49 TYR HE% 1.0 1.8 5.0 898 684 A 42 ILE HG1y A 49 TYR HD% 1.0 1.8 5.0 899 685 A 42 ILE HB A 49 TYR HD% 1.0 1.8 5.0 900 686 A 42 ILE HG1y A 49 TYR HE% 1.0 1.8 5.0 901 687 A 42 ILE HD1% A 49 TYR HE% 1.0 1.8 6.0 902 688 A 42 ILE H A 49 TYR H 1.0 1.8 5.0 903 689 A 42 ILE H A 49 TYR HBy 1.0 1.8 5.0 904 690 A 42 ILE HG2% A 49 TYR H 1.0 1.8 5.0 905 691 A 42 ILE HB A 49 TYR H 1.0 1.8 5.0 906 692 A 42 ILE H A 50 LEU HA 1.0 1.8 5.0 907 693 A 50 LEU HDy% A 42 ILE H 1.0 1.8 5.0 908 694 A 42 ILE HD1% A 51 LEU HDx% 1.0 1.8 5.0 909 695 A 42 ILE HD1% A 51 LEU HBx 1.0 1.8 5.0 910 696 A 42 ILE HD1% A 51 LEU HBy 1.0 1.8 5.0 911 697 A 42 ILE HG1y A 51 LEU HDy% 1.0 1.8 5.0 912 698 A 42 ILE HD1% A 51 LEU HA 1.0 1.8 5.0 913 699 A 42 ILE HG1y A 51 LEU HDx% 1.0 1.8 5.0 914 700 A 42 ILE HG1y A 51 LEU H 1.0 1.8 5.0 915 701 A 42 ILE H A 51 LEU H 1.0 1.8 5.0 916 702 A 42 ILE HD1% A 51 LEU H 1.0 1.8 5.0 917 703 A 42 ILE HB A 61 LEU HDx% 1.0 1.8 6.0 918 704 A 42 ILE HD1% A 61 LEU HDx% 1.0 1.8 5.0 919 705 A 42 ILE HD1% A 61 LEU HDy% 1.0 1.8 5.0 920 706 A 43 ASP HBx A 43 ASP H 1.0 1.8 5.0 921 707 A 43 ASP HBy A 43 ASP H 1.0 1.8 5.0 922 708 A 43 ASP HA A 44 HIS HBy 1.0 1.8 5.0 923 709 A 43 ASP H A 44 HIS H 1.0 1.8 5.0 924 710 A 43 ASP HA A 44 HIS H 1.0 1.8 3.5 925 711 A 43 ASP HBx A 44 HIS H 1.0 1.8 5.0 926 712 A 43 ASP HBy A 44 HIS H 1.0 1.8 5.0 927 713 A 43 ASP HBy A 48 GLU HBx 1.0 1.8 5.0 928 714 A 43 ASP HA A 48 GLU HA 1.0 1.8 5.0 929 715 A 43 ASP HA A 48 GLU HBy 1.0 1.8 5.0 930 716 A 43 ASP H A 48 GLU HA 1.0 1.8 5.0 931 717 A 43 ASP HA A 48 GLU H 1.0 1.8 6.0 932 718 A 43 ASP HA A 49 TYR H 1.0 1.8 5.0 933 719 A 44 HIS HBx A 44 HIS H 1.0 1.8 5.0 934 720 A 44 HIS HBy A 44 HIS H 1.0 1.8 5.0 935 721 A 44 HIS H A 45 ASN H 1.0 1.8 5.0 936 722 A 44 HIS HA A 46 GLY H 1.0 1.8 5.0 937 723 A 44 HIS H A 46 GLY H 1.0 1.8 5.0 938 724 A 44 HIS H A 47 GLN H 1.0 1.8 5.0 939 725 A 44 HIS H A 47 GLN HBy 1.0 1.8 5.0 940 726 A 44 HIS HA A 47 GLN H 1.0 1.8 5.0 941 727 A 44 HIS H A 47 GLN HA 1.0 1.8 5.0 942 728 A 44 HIS HBx A 47 GLN H 1.0 1.8 6.0 943 729 A 44 HIS H A 47 GLN HBx 1.0 1.8 6.0 944 730 A 48 GLU HA A 44 HIS H 1.0 1.8 5.0 945 731 A 44 HIS HBy A 49 TYR HE% 1.0 1.8 5.0 946 732 A 49 TYR HE% A 44 HIS H 1.0 1.8 5.0 947 733 A 45 ASN HA A 45 ASN HD2x 1.0 1.8 5.0 948 734 A 45 ASN HD2x A 45 ASN HBx 1.0 1.8 3.5 949 734 A 45 ASN HD2x A 45 ASN HBy 1.0 1.8 3.5 950 735 A 46 GLY H A 45 ASN HBx 1.0 1.8 5.0 951 736 A 46 GLY H A 45 ASN HBy 1.0 1.8 5.0 952 737 A 46 GLY H A 45 ASN HD2y 1.0 1.8 5.0 953 738 A 45 ASN H A 46 GLY H 1.0 1.8 5.0 954 739 A 45 ASN H A 47 GLN H 1.0 1.8 5.0 955 740 A 47 GLN H A 45 ASN HBx 1.0 1.8 5.0 956 740 A 47 GLN H A 45 ASN HBy 1.0 1.8 5.0 957 741 A 46 GLY H A 47 GLN HGx 1.0 1.8 5.0 958 741 A 46 GLY H A 47 GLN HGy 1.0 1.8 5.0 959 742 A 46 GLY H A 47 GLN H 1.0 1.8 3.5 960 743 A 47 GLN HA A 47 GLN HGx 1.0 1.8 5.0 961 743 A 47 GLN HA A 47 GLN HGy 1.0 1.8 5.0 962 744 A 47 GLN H A 47 GLN HBx 1.0 1.8 5.0 963 745 A 47 GLN H A 47 GLN HGx 1.0 1.8 3.5 964 745 A 47 GLN H A 47 GLN HGy 1.0 1.8 3.5 965 746 A 47 GLN HA A 47 GLN HE2x 1.0 1.8 6.0 966 746 A 47 GLN HA A 47 GLN HE2y 1.0 1.8 6.0 967 747 A 47 GLN HE2x A 47 GLN HGx 1.0 1.8 3.5 968 747 A 47 GLN HE2y A 47 GLN HGx 1.0 1.8 3.5 969 747 A 47 GLN HGy A 47 GLN HE2x 1.0 1.8 3.5 970 747 A 47 GLN HGy A 47 GLN HE2y 1.0 1.8 3.5 971 748 A 48 GLU H A 47 GLN HGx 1.0 1.8 5.0 972 748 A 48 GLU H A 47 GLN HGy 1.0 1.8 5.0 973 749 A 48 GLU HA A 47 GLN HBy 1.0 1.8 5.0 974 750 A 48 GLU H A 47 GLN HA 1.0 1.8 3.5 975 751 A 48 GLU H A 47 GLN HBx 1.0 1.8 5.0 976 752 A 48 GLU H A 47 GLN HBy 1.0 1.8 5.0 977 753 A 48 GLU H A 47 GLN H 1.0 1.8 5.0 978 754 A 49 TYR HD% A 47 GLN HBx 1.0 1.8 5.0 979 755 A 49 TYR HE% A 47 GLN HBx 1.0 1.8 5.0 980 756 A 49 TYR HD% A 47 GLN HBy 1.0 1.8 5.0 981 757 A 49 TYR HE% A 47 GLN HGx 1.0 1.8 5.0 982 757 A 49 TYR HE% A 47 GLN HGy 1.0 1.8 5.0 983 758 A 49 TYR HE% A 47 GLN H 1.0 1.8 6.0 984 759 A 48 GLU H A 48 GLU HGy 1.0 1.8 5.0 985 760 A 48 GLU HBy A 48 GLU H 1.0 1.8 5.0 986 761 A 48 GLU HBx A 48 GLU H 1.0 1.8 3.5 987 762 A 48 GLU HGx A 48 GLU H 1.0 1.8 5.0 988 763 A 48 GLU H A 48 GLU HGy 1.0 1.8 3.5 989 763 A 48 GLU HGx A 48 GLU H 1.0 1.8 3.5 990 764 A 48 GLU HA A 48 GLU HGy 1.0 1.8 5.0 991 764 A 48 GLU HA A 48 GLU HGx 1.0 1.8 5.0 992 765 A 49 TYR H A 48 GLU H 1.0 1.8 5.0 993 766 A 48 GLU HA A 49 TYR H 1.0 1.8 3.5 994 767 A 48 GLU HBy A 49 TYR H 1.0 1.8 5.0 995 768 A 48 GLU HBx A 49 TYR H 1.0 1.8 5.0 996 769 A 49 TYR H A 48 GLU HGy 1.0 1.8 5.0 997 769 A 48 GLU HGx A 49 TYR H 1.0 1.8 5.0 998 770 A 49 TYR HD% A 48 GLU HGy 1.0 1.8 5.0 999 770 A 48 GLU HGx A 49 TYR HD% 1.0 1.8 5.0 1000 771 A 49 TYR HD% A 49 TYR HA 1.0 1.8 5.0 1001 772 A 49 TYR H A 49 TYR HBy 1.0 1.8 5.0 1002 773 A 49 TYR H A 49 TYR HD% 1.0 1.8 5.0 1003 774 A 49 TYR H A 49 TYR HE% 1.0 1.8 5.0 1004 775 A 49 TYR HD% A 50 LEU H 1.0 1.8 5.0 1005 776 A 49 TYR HA A 50 LEU H 1.0 1.8 3.5 1006 777 A 49 TYR HBx A 50 LEU H 1.0 1.8 5.0 1007 778 A 49 TYR HBy A 50 LEU H 1.0 1.8 5.0 1008 779 A 49 TYR HBx A 61 LEU HDy% 1.0 1.8 5.0 1009 780 A 49 TYR HBy A 61 LEU HDy% 1.0 1.8 5.0 1010 781 A 49 TYR HBy A 61 LEU HDx% 1.0 1.8 5.0 1011 782 A 49 TYR HBx A 61 LEU HDx% 1.0 1.8 5.0 1012 783 A 49 TYR HD% A 61 LEU HDx% 1.0 1.8 5.0 1013 784 A 49 TYR HE% A 61 LEU HDx% 1.0 1.8 5.0 1014 785 A 49 TYR HD% A 61 LEU HDy% 1.0 1.8 5.0 1015 786 A 49 TYR HD% A 61 LEU HG 1.0 1.8 6.0 1016 787 A 61 LEU HDx% A 49 TYR HA 1.0 1.8 6.0 1017 788 A 49 TYR HBx A 61 LEU HG 1.0 1.8 6.0 1018 789 A 49 TYR HBy A 62 THR H 1.0 1.8 5.0 1019 790 A 49 TYR HD% A 63 LYS HA 1.0 1.8 5.0 1020 791 A 49 TYR HA A 63 LYS HA 1.0 1.8 3.5 1021 792 A 49 TYR HA A 63 LYS HBx 1.0 1.8 5.0 1022 792 A 49 TYR HA A 63 LYS HBy 1.0 1.8 5.0 1023 793 A 50 LEU H A 50 LEU HG 1.0 1.8 6.0 1024 794 A 50 LEU HDy% A 50 LEU HBy 1.0 1.8 3.5 1025 795 A 50 LEU HDy% A 50 LEU H 1.0 1.8 5.0 1026 796 A 50 LEU HDx% A 50 LEU HA 1.0 1.8 3.5 1027 797 A 50 LEU HDx% A 50 LEU HBx 1.0 1.8 3.5 1028 798 A 50 LEU HDx% A 50 LEU HBy 1.0 1.8 5.0 1029 799 A 50 LEU HDy% A 50 LEU HA 1.0 1.8 3.5 1030 800 A 50 LEU HA A 50 LEU HG 1.0 1.8 5.0 1031 801 A 50 LEU H A 50 LEU HBx 1.0 1.8 3.5 1032 802 A 50 LEU HBy A 50 LEU H 1.0 1.8 5.0 1033 803 A 50 LEU HDx% A 51 LEU H 1.0 1.8 5.0 1034 804 A 50 LEU HDx% A 51 LEU HA 1.0 1.8 5.0 1035 805 A 51 LEU H A 50 LEU H 1.0 1.8 5.0 1036 806 A 50 LEU HA A 51 LEU H 1.0 1.8 3.5 1037 807 A 51 LEU H A 50 LEU HBx 1.0 1.8 5.0 1038 808 A 50 LEU HBy A 51 LEU H 1.0 1.8 5.0 1039 809 A 50 LEU HDy% A 51 LEU H 1.0 1.8 3.5 1040 810 A 50 LEU HDy% A 52 ARG HDx 1.0 1.8 5.0 1041 810 A 50 LEU HDy% A 52 ARG HDy 1.0 1.8 5.0 1042 811 A 50 LEU HDx% A 52 ARG HBx 1.0 1.8 5.0 1043 812 A 50 LEU HDx% A 52 ARG HBy 1.0 1.8 5.0 1044 813 A 50 LEU HDx% A 52 ARG HDx 1.0 1.8 3.5 1045 813 A 50 LEU HDx% A 52 ARG HDy 1.0 1.8 3.5 1046 814 A 50 LEU HDx% A 52 ARG HGx 1.0 1.8 5.0 1047 815 A 50 LEU HG A 52 ARG HDx 1.0 1.8 5.0 1048 815 A 52 ARG HDy A 50 LEU HG 1.0 1.8 5.0 1049 816 A 50 LEU HDx% A 52 ARG HA 1.0 1.8 5.0 1050 817 A 50 LEU HDx% A 52 ARG H 1.0 1.8 5.0 1051 818 A 61 LEU HDx% A 50 LEU H 1.0 1.8 5.0 1052 819 A 50 LEU HDy% A 62 THR H 1.0 1.8 6.0 1053 820 A 50 LEU HDx% A 62 THR HG2% 1.0 1.8 5.0 1054 821 A 50 LEU HBx A 62 THR HG2% 1.0 1.8 5.0 1055 822 A 50 LEU H A 62 THR H 1.0 1.8 5.0 1056 823 A 50 LEU H A 62 THR HG2% 1.0 1.8 6.0 1057 824 A 62 THR H A 50 LEU HBx 1.0 1.8 5.0 1058 825 A 50 LEU H A 63 LYS HA 1.0 1.8 5.0 1059 826 A 50 LEU H A 63 LYS HBx 1.0 1.8 6.0 1060 826 A 50 LEU H A 63 LYS HBy 1.0 1.8 6.0 1061 827 A 50 LEU H A 63 LYS H 1.0 1.8 5.0 1062 828 A 50 LEU H A 63 LYS HDx 1.0 1.8 5.0 1063 828 A 50 LEU H A 63 LYS HDy 1.0 1.8 5.0 1064 829 A 51 LEU HDy% A 51 LEU HA 1.0 1.8 5.0 1065 830 A 51 LEU HDy% A 51 LEU HBx 1.0 1.8 5.0 1066 831 A 51 LEU HDy% A 51 LEU HBy 1.0 1.8 5.0 1067 832 A 51 LEU HDx% A 51 LEU HA 1.0 1.8 3.5 1068 833 A 51 LEU HDx% A 51 LEU HBx 1.0 1.8 5.0 1069 834 A 51 LEU HDx% A 51 LEU HBy 1.0 1.8 5.0 1070 835 A 51 LEU HBx A 51 LEU H 1.0 1.8 5.0 1071 836 A 51 LEU HBy A 51 LEU H 1.0 1.8 5.0 1072 837 A 51 LEU HDy% A 51 LEU H 1.0 1.8 5.0 1073 838 A 51 LEU HG A 51 LEU H 1.0 1.8 5.0 1074 839 A 51 LEU HDx% A 52 ARG HGy 1.0 1.8 5.0 1075 840 A 52 ARG HBx A 51 LEU H 1.0 1.8 5.0 1076 841 A 52 ARG H A 51 LEU HA 1.0 1.8 3.5 1077 842 A 51 LEU HBx A 52 ARG H 1.0 1.8 6.0 1078 843 A 51 LEU HDy% A 52 ARG H 1.0 1.8 6.0 1079 844 A 51 LEU HDx% A 52 ARG H 1.0 1.8 3.5 1080 845 A 51 LEU HG A 52 ARG H 1.0 1.8 5.0 1081 846 A 51 LEU HDx% A 59 LEU HDy% 1.0 1.8 5.0 1082 847 A 51 LEU HDx% A 59 LEU HDx% 1.0 1.8 5.0 1083 848 A 51 LEU HDx% A 59 LEU HBx 1.0 1.8 5.0 1084 849 A 51 LEU HDx% A 59 LEU HA 1.0 1.8 5.0 1085 850 A 51 LEU HDx% A 60 LEU HA 1.0 1.8 5.0 1086 851 A 51 LEU HDx% A 60 LEU HBy 1.0 1.8 6.0 1087 852 A 51 LEU HDx% A 60 LEU H 1.0 1.8 5.0 1088 853 A 51 LEU HA A 60 LEU H 1.0 1.8 5.0 1089 854 A 51 LEU HA A 61 LEU HDx% 1.0 1.8 5.0 1090 855 A 51 LEU HA A 61 LEU HA 1.0 1.8 5.0 1091 856 A 51 LEU HDx% A 61 LEU HA 1.0 1.8 5.0 1092 857 A 51 LEU HDx% A 61 LEU HBx 1.0 1.8 5.0 1093 857 A 51 LEU HDx% A 61 LEU HBy 1.0 1.8 5.0 1094 858 A 51 LEU HDx% A 61 LEU HDy% 1.0 1.8 3.5 1095 859 A 51 LEU HBy A 61 LEU HDx% 1.0 1.8 5.0 1096 860 A 51 LEU HDy% A 61 LEU HA 1.0 1.8 6.0 1097 861 A 51 LEU HDx% A 61 LEU H 1.0 1.8 5.0 1098 862 A 51 LEU HA A 61 LEU H 1.0 1.8 6.0 1099 863 A 51 LEU HDx% A 62 THR H 1.0 1.8 5.0 1100 864 A 51 LEU HA A 62 THR H 1.0 1.8 5.0 1101 865 A 51 LEU HBy A 62 THR H 1.0 1.8 6.0 1102 866 A 52 ARG HA A 52 ARG HDx 1.0 1.8 5.0 1103 866 A 52 ARG HDy A 52 ARG HA 1.0 1.8 5.0 1104 867 A 52 ARG HBx A 52 ARG HDx 1.0 1.8 5.0 1105 867 A 52 ARG HDy A 52 ARG HBx 1.0 1.8 5.0 1106 868 A 52 ARG HBy A 52 ARG HDx 1.0 1.8 5.0 1107 868 A 52 ARG HDy A 52 ARG HBy 1.0 1.8 5.0 1108 869 A 52 ARG HA A 52 ARG HGy 1.0 1.8 5.0 1109 870 A 52 ARG H A 52 ARG HBy 1.0 1.8 5.0 1110 871 A 52 ARG HBx A 52 ARG H 1.0 1.8 5.0 1111 872 A 52 ARG H A 52 ARG HDx 1.0 1.8 5.0 1112 872 A 52 ARG HDy A 52 ARG H 1.0 1.8 5.0 1113 873 A 52 ARG H A 52 ARG HGy 1.0 1.8 5.0 1114 874 A 52 ARG HGx A 52 ARG H 1.0 1.8 5.0 1115 875 A 53 LYS H A 52 ARG HDx 1.0 1.8 6.0 1116 875 A 52 ARG HDy A 53 LYS H 1.0 1.8 6.0 1117 876 A 52 ARG HA A 53 LYS HGx 1.0 1.8 5.0 1118 877 A 52 ARG HA A 53 LYS H 1.0 1.8 3.5 1119 878 A 53 LYS H A 52 ARG HBy 1.0 1.8 5.0 1120 879 A 52 ARG HGx A 53 LYS H 1.0 1.8 5.0 1121 880 A 52 ARG H A 53 LYS H 1.0 1.8 5.0 1122 881 A 52 ARG HGy A 54 THR HG2% 1.0 1.8 5.0 1123 882 A 52 ARG HGx A 54 THR HG2% 1.0 1.8 5.0 1124 883 A 54 THR HG2% A 52 ARG HDx 1.0 1.8 5.0 1125 883 A 52 ARG HDy A 54 THR HG2% 1.0 1.8 5.0 1126 884 A 52 ARG H A 54 THR HG2% 1.0 1.8 6.0 1127 885 A 52 ARG HGy A 54 THR H 1.0 1.8 6.0 1128 886 A 52 ARG H A 59 LEU HA 1.0 1.8 6.0 1129 887 A 59 LEU HDy% A 52 ARG H 1.0 1.8 5.0 1130 888 A 60 LEU HDy% A 52 ARG HDx 1.0 1.8 5.0 1131 888 A 52 ARG HDy A 60 LEU HDy% 1.0 1.8 5.0 1132 889 A 60 LEU H A 52 ARG HDx 1.0 1.8 5.0 1133 889 A 52 ARG HDy A 60 LEU H 1.0 1.8 5.0 1134 890 A 52 ARG HBx A 60 LEU HBx 1.0 1.8 5.0 1135 891 A 52 ARG HGx A 60 LEU HDy% 1.0 1.8 5.0 1136 892 A 52 ARG HGy A 60 LEU HDx% 1.0 1.8 5.0 1137 893 A 52 ARG HGy A 60 LEU HDy% 1.0 1.8 5.0 1138 894 A 60 LEU HBy A 52 ARG HDx 1.0 1.8 5.0 1139 894 A 52 ARG HDy A 60 LEU HBy 1.0 1.8 5.0 1140 895 A 52 ARG HGx A 60 LEU HBy 1.0 1.8 5.0 1141 896 A 52 ARG HGy A 60 LEU HBy 1.0 1.8 5.0 1142 897 A 52 ARG HBx A 60 LEU HBy 1.0 1.8 6.0 1143 898 A 52 ARG HGy A 60 LEU HBx 1.0 1.8 5.0 1144 899 A 52 ARG H A 60 LEU H 1.0 1.8 5.0 1145 900 A 52 ARG H A 60 LEU HDx% 1.0 1.8 6.0 1146 901 A 52 ARG H A 60 LEU HDy% 1.0 1.8 6.0 1147 902 A 52 ARG HBx A 60 LEU H 1.0 1.8 6.0 1148 903 A 52 ARG HGx A 60 LEU H 1.0 1.8 5.0 1149 904 A 52 ARG HA A 60 LEU H 1.0 1.8 5.0 1150 905 A 52 ARG HGy A 60 LEU H 1.0 1.8 5.0 1151 906 A 52 ARG H A 61 LEU HA 1.0 1.8 5.0 1152 907 A 53 LYS HGy A 53 LYS HBx 1.0 1.8 2.7 1153 908 A 53 LYS HBx A 53 LYS HEx 1.0 1.8 5.0 1154 908 A 53 LYS HEy A 53 LYS HBx 1.0 1.8 5.0 1155 909 A 53 LYS HGx A 53 LYS HEx 1.0 1.8 5.0 1156 909 A 53 LYS HEy A 53 LYS HGx 1.0 1.8 5.0 1157 910 A 53 LYS HGy A 53 LYS HEx 1.0 1.8 5.0 1158 910 A 53 LYS HGy A 53 LYS HEy 1.0 1.8 5.0 1159 911 A 53 LYS HGy A 53 LYS H 1.0 1.8 5.0 1160 912 A 53 LYS HA A 53 LYS HEx 1.0 1.8 5.0 1161 912 A 53 LYS HEy A 53 LYS HA 1.0 1.8 5.0 1162 913 A 53 LYS HBx A 53 LYS H 1.0 1.8 5.0 1163 914 A 53 LYS H A 53 LYS HEx 1.0 1.8 6.0 1164 914 A 53 LYS HEy A 53 LYS H 1.0 1.8 6.0 1165 915 A 53 LYS HGx A 53 LYS H 1.0 1.8 5.0 1166 916 A 53 LYS H A 53 LYS HDx 1.0 1.8 5.0 1167 916 A 53 LYS H A 53 LYS HDy 1.0 1.8 5.0 1168 917 A 53 LYS HA A 53 LYS HDx 1.0 1.8 5.0 1169 917 A 53 LYS HDy A 53 LYS HA 1.0 1.8 5.0 1170 918 A 53 LYS HBx A 53 LYS HDx 1.0 1.8 5.0 1171 918 A 53 LYS HBx A 53 LYS HDy 1.0 1.8 5.0 1172 919 A 54 THR H A 53 LYS HA 1.0 1.8 3.5 1173 920 A 53 LYS HBx A 54 THR H 1.0 1.8 5.0 1174 921 A 54 THR H A 53 LYS HBy 1.0 1.8 5.0 1175 922 A 53 LYS HGx A 54 THR H 1.0 1.8 6.0 1176 923 A 53 LYS HGy A 54 THR H 1.0 1.8 5.0 1177 924 A 53 LYS H A 54 THR H 1.0 1.8 5.0 1178 925 A 59 LEU HDy% A 53 LYS HBx 1.0 1.8 5.0 1179 926 A 59 LEU HDx% A 53 LYS HEx 1.0 1.8 6.0 1180 926 A 59 LEU HDx% A 53 LYS HEy 1.0 1.8 6.0 1181 927 A 59 LEU HDy% A 53 LYS HGy 1.0 1.8 5.0 1182 928 A 53 LYS HGx A 59 LEU HG 1.0 1.8 5.0 1183 929 A 59 LEU HA A 53 LYS HA 1.0 1.8 5.0 1184 930 A 59 LEU HDy% A 53 LYS HA 1.0 1.8 5.0 1185 931 A 59 LEU HDy% A 53 LYS HBy 1.0 1.8 5.0 1186 932 A 53 LYS HBx A 59 LEU HA 1.0 1.8 6.0 1187 933 A 59 LEU HDy% A 53 LYS H 1.0 1.8 5.0 1188 934 A 53 LYS HA A 59 LEU H 1.0 1.8 6.0 1189 935 A 59 LEU HDy% A 53 LYS HDx 1.0 1.8 5.0 1190 935 A 59 LEU HDy% A 53 LYS HDy 1.0 1.8 5.0 1191 936 A 60 LEU H A 53 LYS HA 1.0 1.8 5.0 1192 937 A 53 LYS HGy A 60 LEU H 1.0 1.8 6.0 1193 938 A 53 LYS H A 60 LEU H 1.0 1.8 6.0 1194 939 A 54 THR HA A 54 THR HB 1.0 1.8 3.5 1195 940 A 54 THR HG2% A 54 THR HA 1.0 1.8 3.5 1196 941 A 54 THR H A 54 THR HB 1.0 1.8 5.0 1197 942 A 54 THR HG2% A 54 THR H 1.0 1.8 3.5 1198 943 A 54 THR HB A 56 ALA HB% 1.0 1.8 5.0 1199 944 A 54 THR HG2% A 56 ALA HB% 1.0 1.8 5.0 1200 945 A 54 THR HB A 57 GLY H 1.0 1.8 5.0 1201 946 A 54 THR HG2% A 57 GLY H 1.0 1.8 5.0 1202 947 A 54 THR HG2% A 58 LYS HEx 1.0 1.8 5.0 1203 947 A 54 THR HG2% A 58 LYS HEy 1.0 1.8 5.0 1204 948 A 54 THR HG2% A 58 LYS HBx 1.0 1.8 5.0 1205 949 A 54 THR HG2% A 58 LYS HDx 1.0 1.8 5.0 1206 949 A 54 THR HG2% A 58 LYS HDy 1.0 1.8 5.0 1207 950 A 54 THR HG2% A 58 LYS HA 1.0 1.8 5.0 1208 951 A 54 THR HG2% A 58 LYS HBy 1.0 1.8 5.0 1209 952 A 54 THR HB A 58 LYS HEx 1.0 1.8 5.0 1210 952 A 54 THR HB A 58 LYS HEy 1.0 1.8 5.0 1211 953 A 54 THR H A 58 LYS H 1.0 1.8 5.0 1212 954 A 54 THR HG2% A 58 LYS H 1.0 1.8 5.0 1213 955 A 59 LEU HDy% A 54 THR HG2% 1.0 1.8 5.0 1214 956 A 59 LEU HA A 54 THR HG2% 1.0 1.8 5.0 1215 957 A 59 LEU HA A 54 THR H 1.0 1.8 5.0 1216 958 A 54 THR HG2% A 59 LEU H 1.0 1.8 5.0 1217 959 A 59 LEU HDy% A 54 THR H 1.0 1.8 5.0 1218 960 A 54 THR HG2% A 60 LEU HDy% 1.0 1.8 3.5 1219 961 A 60 LEU HDy% A 54 THR HA 1.0 1.8 5.0 1220 962 A 60 LEU HDx% A 54 THR HB 1.0 1.8 5.0 1221 963 A 60 LEU HDy% A 54 THR HB 1.0 1.8 5.0 1222 964 A 60 LEU HA A 54 THR HG2% 1.0 1.8 5.0 1223 965 A 54 THR HG2% A 60 LEU HDx% 1.0 1.8 3.5 1224 966 A 60 LEU HBy A 54 THR HG2% 1.0 1.8 3.5 1225 967 A 60 LEU HBy A 54 THR HB 1.0 1.8 6.0 1226 968 A 60 LEU HBy A 54 THR H 1.0 1.8 5.0 1227 969 A 60 LEU H A 54 THR HG2% 1.0 1.8 5.0 1228 970 A 56 ALA HB% A 57 GLY H 1.0 1.8 5.0 1229 971 A 56 ALA HB% A 58 LYS HEx 1.0 1.8 6.0 1230 971 A 56 ALA HB% A 58 LYS HEy 1.0 1.8 6.0 1231 972 A 56 ALA HB% A 58 LYS HDx 1.0 1.8 5.0 1232 972 A 56 ALA HB% A 58 LYS HDy 1.0 1.8 5.0 1233 973 A 56 ALA HB% A 58 LYS HGx 1.0 1.8 3.5 1234 973 A 56 ALA HB% A 58 LYS HGy 1.0 1.8 3.5 1235 974 A 56 ALA HB% A 58 LYS HBy 1.0 1.8 5.0 1236 975 A 56 ALA HB% A 58 LYS H 1.0 1.8 5.0 1237 976 A 58 LYS H A 56 ALA HA 1.0 1.8 6.0 1238 977 A 57 GLY H A 58 LYS H 1.0 1.8 3.5 1239 978 A 58 LYS HBy A 58 LYS HDx 1.0 1.8 5.0 1240 978 A 58 LYS HDy A 58 LYS HBy 1.0 1.8 5.0 1241 979 A 58 LYS HEx A 58 LYS HGx 1.0 1.8 3.5 1242 979 A 58 LYS HEy A 58 LYS HGx 1.0 1.8 3.5 1243 979 A 58 LYS HGy A 58 LYS HEx 1.0 1.8 3.5 1244 979 A 58 LYS HEy A 58 LYS HGy 1.0 1.8 3.5 1245 980 A 58 LYS HA A 58 LYS HGx 1.0 1.8 5.0 1246 980 A 58 LYS HA A 58 LYS HGy 1.0 1.8 5.0 1247 981 A 58 LYS HA A 58 LYS HDx 1.0 1.8 5.0 1248 981 A 58 LYS HDy A 58 LYS HA 1.0 1.8 5.0 1249 982 A 58 LYS HA A 58 LYS HEx 1.0 1.8 6.0 1250 982 A 58 LYS HEy A 58 LYS HA 1.0 1.8 6.0 1251 983 A 58 LYS HBx A 58 LYS H 1.0 1.8 5.0 1252 984 A 58 LYS HBy A 58 LYS H 1.0 1.8 5.0 1253 985 A 58 LYS H A 58 LYS HGx 1.0 1.8 3.5 1254 985 A 58 LYS H A 58 LYS HGy 1.0 1.8 3.5 1255 986 A 59 LEU H A 58 LYS HEx 1.0 1.8 5.0 1256 986 A 59 LEU H A 58 LYS HEy 1.0 1.8 5.0 1257 987 A 59 LEU H A 58 LYS H 1.0 1.8 5.0 1258 988 A 59 LEU H A 58 LYS HA 1.0 1.8 3.5 1259 989 A 59 LEU H A 58 LYS HBx 1.0 1.8 3.5 1260 990 A 59 LEU H A 58 LYS HBy 1.0 1.8 3.5 1261 991 A 59 LEU H A 58 LYS HGx 1.0 1.8 5.0 1262 991 A 59 LEU H A 58 LYS HGy 1.0 1.8 5.0 1263 992 A 60 LEU HDx% A 58 LYS HEx 1.0 1.8 5.0 1264 992 A 60 LEU HDx% A 58 LYS HEy 1.0 1.8 5.0 1265 993 A 60 LEU HDx% A 58 LYS HBx 1.0 1.8 5.0 1266 994 A 60 LEU HDx% A 58 LYS HDx 1.0 1.8 6.0 1267 994 A 60 LEU HDx% A 58 LYS HDy 1.0 1.8 6.0 1268 995 A 59 LEU HDx% A 59 LEU HA 1.0 1.8 5.0 1269 996 A 59 LEU HDx% A 59 LEU HBx 1.0 1.8 5.0 1270 997 A 59 LEU HDx% A 59 LEU HBy 1.0 1.8 3.5 1271 998 A 59 LEU HDy% A 59 LEU HBx 1.0 1.8 5.0 1272 999 A 59 LEU HDy% A 59 LEU HA 1.0 1.8 5.0 1273 1000 A 59 LEU HA A 59 LEU HG 1.0 1.8 5.0 1274 1001 A 59 LEU HBx A 59 LEU H 1.0 1.8 5.0 1275 1002 A 59 LEU H A 59 LEU HBy 1.0 1.8 5.0 1276 1003 A 59 LEU HDx% A 59 LEU H 1.0 1.8 5.0 1277 1004 A 59 LEU HDy% A 59 LEU H 1.0 1.8 5.0 1278 1005 A 59 LEU HG A 59 LEU H 1.0 1.8 5.0 1279 1006 A 59 LEU HA A 60 LEU H 1.0 1.8 3.5 1280 1007 A 59 LEU HBx A 60 LEU H 1.0 1.8 5.0 1281 1008 A 60 LEU H A 59 LEU HBy 1.0 1.8 5.0 1282 1009 A 59 LEU HDx% A 60 LEU H 1.0 1.8 5.0 1283 1010 A 59 LEU HDy% A 60 LEU H 1.0 1.8 5.0 1284 1011 A 60 LEU H A 59 LEU HG 1.0 1.8 5.0 1285 1012 A 60 LEU H A 59 LEU H 1.0 1.8 5.0 1286 1013 A 60 LEU HA A 60 LEU HDy% 1.0 1.8 5.0 1287 1014 A 60 LEU HDy% A 60 LEU HBx 1.0 1.8 5.0 1288 1015 A 60 LEU HBy A 60 LEU HDy% 1.0 1.8 3.5 1289 1016 A 60 LEU HA A 60 LEU HDx% 1.0 1.8 5.0 1290 1017 A 60 LEU HBx A 60 LEU HDx% 1.0 1.8 3.5 1291 1018 A 60 LEU HBy A 60 LEU HDx% 1.0 1.8 5.0 1292 1019 A 60 LEU HA A 60 LEU HG 1.0 1.8 5.0 1293 1020 A 60 LEU HBy A 60 LEU H 1.0 1.8 5.0 1294 1021 A 60 LEU H A 60 LEU HDx% 1.0 1.8 5.0 1295 1022 A 60 LEU HBy A 61 LEU H 1.0 1.8 5.0 1296 1023 A 61 LEU H A 60 LEU HDy% 1.0 1.8 5.0 1297 1024 A 60 LEU H A 61 LEU H 1.0 1.8 5.0 1298 1025 A 60 LEU HA A 61 LEU H 1.0 1.8 3.5 1299 1026 A 61 LEU H A 60 LEU HBx 1.0 1.8 5.0 1300 1027 A 61 LEU H A 60 LEU HG 1.0 1.8 5.0 1301 1028 A 61 LEU H A 60 LEU HDx% 1.0 1.8 5.0 1302 1029 A 62 THR HG2% A 60 LEU HDy% 1.0 1.8 5.0 1303 1030 A 62 THR HG2% A 60 LEU HG 1.0 1.8 5.0 1304 1031 A 62 THR HG2% A 60 LEU HBx 1.0 1.8 3.5 1305 1032 A 62 THR HG2% A 60 LEU HA 1.0 1.8 5.0 1306 1033 A 62 THR HG2% A 60 LEU HBy 1.0 1.8 5.0 1307 1034 A 61 LEU HDy% A 61 LEU HBx 1.0 1.8 5.0 1308 1034 A 61 LEU HDy% A 61 LEU HBy 1.0 1.8 5.0 1309 1035 A 61 LEU HDx% A 61 LEU HA 1.0 1.8 5.0 1310 1036 A 61 LEU HDy% A 61 LEU HA 1.0 1.8 5.0 1311 1037 A 61 LEU HG A 61 LEU HA 1.0 1.8 5.0 1312 1038 A 61 LEU H A 61 LEU HBx 1.0 1.8 3.5 1313 1038 A 61 LEU HBy A 61 LEU H 1.0 1.8 3.5 1314 1039 A 61 LEU HDy% A 61 LEU H 1.0 1.8 5.0 1315 1040 A 61 LEU HDx% A 61 LEU H 1.0 1.8 5.0 1316 1041 A 61 LEU HG A 61 LEU H 1.0 1.8 5.0 1317 1042 A 61 LEU HDx% A 62 THR HG2% 1.0 1.8 5.0 1318 1043 A 61 LEU HDx% A 62 THR HA 1.0 1.8 6.0 1319 1044 A 62 THR HG2% A 61 LEU H 1.0 1.8 5.0 1320 1045 A 62 THR H A 61 LEU H 1.0 1.8 5.0 1321 1046 A 62 THR H A 61 LEU HA 1.0 1.8 3.5 1322 1047 A 62 THR H A 61 LEU HBx 1.0 1.8 6.0 1323 1047 A 62 THR H A 61 LEU HBy 1.0 1.8 6.0 1324 1048 A 61 LEU HDy% A 62 THR H 1.0 1.8 5.0 1325 1049 A 61 LEU HDx% A 62 THR H 1.0 1.8 5.0 1326 1050 A 62 THR HA A 62 THR HB 1.0 1.8 3.5 1327 1051 A 62 THR HG2% A 62 THR HA 1.0 1.8 3.5 1328 1052 A 62 THR H A 62 THR HG2% 1.0 1.8 5.0 1329 1053 A 62 THR HG2% A 63 LYS H 1.0 1.8 5.0 1330 1054 A 62 THR HA A 63 LYS HBx 1.0 1.8 6.0 1331 1054 A 63 LYS HBy A 62 THR HA 1.0 1.8 6.0 1332 1055 A 62 THR H A 63 LYS H 1.0 1.8 5.0 1333 1056 A 63 LYS H A 62 THR HA 1.0 1.8 2.7 1334 1057 A 63 LYS H A 62 THR HB 1.0 1.8 3.5 1335 1058 A 63 LYS HA A 63 LYS HGy 1.0 1.8 5.0 1336 1059 A 63 LYS HBy A 63 LYS HDx 1.0 1.8 5.0 1337 1059 A 63 LYS HBx A 63 LYS HDx 1.0 1.8 5.0 1338 1060 A 63 LYS HDy A 63 LYS HBx 1.0 1.8 5.0 1339 1060 A 63 LYS HBy A 63 LYS HDy 1.0 1.8 5.0 1340 1061 A 63 LYS HEx A 63 LYS HBx 1.0 1.8 5.0 1341 1061 A 63 LYS HBy A 63 LYS HEx 1.0 1.8 5.0 1342 1062 A 63 LYS HEy A 63 LYS HBx 1.0 1.8 5.0 1343 1062 A 63 LYS HBy A 63 LYS HEy 1.0 1.8 5.0 1344 1063 A 63 LYS HA A 63 LYS HGx 1.0 1.8 5.0 1345 1064 A 63 LYS H A 63 LYS HGy 1.0 1.8 5.0 1346 1065 A 63 LYS H A 63 LYS HBx 1.0 1.8 3.5 1347 1065 A 63 LYS HBy A 63 LYS H 1.0 1.8 3.5 1348 1066 A 63 LYS H A 63 LYS HDy 1.0 1.8 6.0 1349 1067 A 63 LYS H A 63 LYS HDx 1.0 1.8 6.0 1350 1068 A 63 LYS H A 63 LYS HGx 1.0 1.8 5.0 1351 1069 A 63 LYS H A 63 LYS HGy 1.0 1.8 3.5 1352 1069 A 63 LYS H A 63 LYS HGx 1.0 1.8 3.5 1353 1070 A 63 LYS H A 63 LYS HDx 1.0 1.8 5.0 1354 1070 A 63 LYS H A 63 LYS HDy 1.0 1.8 5.0 1355 1071 A 63 LYS HA A 63 LYS HDx 1.0 1.8 5.0 1356 1071 A 63 LYS HA A 63 LYS HDy 1.0 1.8 5.0 1357 1072 A 63 LYS HBx A 63 LYS HDx 1.0 1.8 3.5 1358 1072 A 63 LYS HBy A 63 LYS HDx 1.0 1.8 3.5 1359 1072 A 63 LYS HDy A 63 LYS HBx 1.0 1.8 3.5 1360 1072 A 63 LYS HBy A 63 LYS HDy 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 47 GLN H A 44 HIS O 1.0 1.8 2.1 2 2 A 44 HIS O A 47 GLN N 1.0 2.7 3.1 3 3 A 44 HIS H A 47 GLN O 1.0 1.8 2.1 4 4 A 47 GLN O A 44 HIS N 1.0 2.7 3.1 5 5 A 49 TYR H A 42 ILE O 1.0 1.8 2.1 6 6 A 42 ILE O A 49 TYR N 1.0 2.7 3.1 7 7 A 42 ILE H A 49 TYR O 1.0 1.8 2.1 8 8 A 49 TYR O A 42 ILE N 1.0 2.7 3.1 9 9 A 51 LEU H A 40 VAL O 1.0 1.8 2.1 10 10 A 40 VAL O A 51 LEU N 1.0 2.7 3.1 11 11 A 40 VAL H A 51 LEU O 1.0 1.8 2.1 12 12 A 51 LEU O A 40 VAL N 1.0 2.7 3.1 13 13 A 53 LYS H A 38 GLY O 1.0 1.8 2.1 14 14 A 38 GLY O A 53 LYS N 1.0 2.7 3.1 15 15 A 58 LYS H A 54 THR O 1.0 1.8 2.1 16 16 A 54 THR O A 58 LYS N 1.0 2.7 3.1 17 17 A 54 THR H A 58 LYS O 1.0 1.8 2.1 18 18 A 58 LYS O A 54 THR N 1.0 2.7 3.1 19 19 A 60 LEU H A 52 ARG O 1.0 1.8 2.1 20 20 A 52 ARG O A 60 LEU N 1.0 2.7 3.1 21 21 A 52 ARG H A 60 LEU O 1.0 1.8 2.1 22 22 A 60 LEU O A 52 ARG N 1.0 2.7 3.1 23 23 A 62 THR H A 50 LEU O 1.0 1.8 2.1 24 24 A 50 LEU O A 62 THR N 1.0 2.7 3.1 25 25 A 50 LEU H A 62 THR O 1.0 1.8 2.1 26 26 A 62 THR O A 50 LEU N 1.0 2.7 3.1 27 27 A 41 ILE H A 26 ARG O 1.0 1.8 2.1 28 28 A 26 ARG O A 41 ILE N 1.0 2.7 3.1 29 29 A 28 VAL H A 41 ILE O 1.0 1.8 2.1 30 30 A 41 ILE O A 28 VAL N 1.0 2.7 3.1 31 31 A 43 ASP H A 28 VAL O 1.0 1.8 2.1 32 32 A 28 VAL O A 43 ASP N 1.0 2.7 3.1 33 33 A 30 SER H A 43 ASP O 1.0 1.8 2.1 34 34 A 43 ASP O A 30 SER N 1.0 2.7 3.1 35 35 A 33 LEU H A 30 SER O 1.0 1.8 2.1 36 36 A 30 SER O A 33 LEU N 1.0 2.7 3.1 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 24 ALA C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -207.0 -67.0 PHI 2 2 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 ARG N 1.0 25.0 235.0 PSI 3 3 A 25 GLU C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -150.0 -60.0 PHI 4 4 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 ARG N 1.0 74.0 160.0 PSI 5 5 A 26 ARG C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -167.0 -75.0 PHI 6 6 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 VAL N 1.0 84.0 192.0 PSI 7 7 A 27 ARG C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -163.0 -103.0 PHI 8 8 A 28 VAL N A 28 VAL CA A 28 VAL C A 29 ASN N 1.0 120.0 172.0 PSI 9 9 A 28 VAL C A 29 ASN N A 29 ASN CA A 29 ASN C 1.0 -107.0 -47.0 PHI 10 10 A 29 ASN N A 29 ASN CA A 29 ASN C A 30 SER N 1.0 81.0 165.0 PSI 11 11 A 29 ASN C A 30 SER N A 30 SER CA A 30 SER C 1.0 -77.0 -37.0 PHI 12 12 A 30 SER N A 30 SER CA A 30 SER C A 31 GLN N 1.0 -55.0 -15.0 PSI 13 13 A 30 SER C A 31 GLN N A 31 GLN CA A 31 GLN C 1.0 -89.0 -49.0 PHI 14 14 A 31 GLN N A 31 GLN CA A 31 GLN C A 32 ALA N 1.0 -55.0 -15.0 PSI 15 15 A 31 GLN C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -108.0 -28.0 PHI 16 16 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 LEU N 1.0 -99.0 40.0 PSI 17 17 A 32 ALA C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -105.0 -45.0 PHI 18 18 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 LEU N 1.0 -67.0 -7.0 PSI 19 19 A 33 LEU C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -133.0 -63.0 PHI 20 20 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 GLY N 1.0 -71.0 25.0 PSI 21 21 A 36 PRO C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -106.0 -62.0 PHI 22 22 A 37 ASP N A 37 ASP CA A 37 ASP C A 38 GLY N 1.0 -60.0 32.0 PSI 23 23 A 37 ASP C A 38 GLY N A 38 GLY CA A 38 GLY C 1.0 48.0 106.0 PHI 24 24 A 38 GLY N A 38 GLY CA A 38 GLY C A 39 LYS N 1.0 -33.0 77.0 PSI 25 25 A 38 GLY C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -164.0 -68.0 PHI 26 26 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 VAL N 1.0 76.0 202.0 PSI 27 27 A 39 LYS C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -161.0 -109.0 PHI 28 28 A 40 VAL N A 40 VAL CA A 40 VAL C A 41 ILE N 1.0 83.0 179.0 PSI 29 29 A 40 VAL C A 41 ILE N A 41 ILE CA A 41 ILE C 1.0 -137.0 -77.0 PHI 30 30 A 41 ILE N A 41 ILE CA A 41 ILE C A 42 ILE N 1.0 106.0 146.0 PSI 31 31 A 41 ILE C A 42 ILE N A 42 ILE CA A 42 ILE C 1.0 -146.0 -62.0 PHI 32 32 A 42 ILE N A 42 ILE CA A 42 ILE C A 43 ASP N 1.0 107.0 147.0 PSI 33 33 A 42 ILE C A 43 ASP N A 43 ASP CA A 43 ASP C 1.0 -146.0 -54.0 PHI 34 34 A 43 ASP N A 43 ASP CA A 43 ASP C A 44 HIS N 1.0 105.0 145.0 PSI 35 35 A 43 ASP C A 44 HIS N A 44 HIS CA A 44 HIS C 1.0 -185.0 -89.0 PHI 36 36 A 44 HIS N A 44 HIS CA A 44 HIS C A 45 ASN N 1.0 89.0 157.0 PSI 37 37 A 44 HIS C A 45 ASN N A 45 ASN CA A 45 ASN C 1.0 32.0 72.0 PHI 38 38 A 45 ASN N A 45 ASN CA A 45 ASN C A 46 GLY N 1.0 13.0 73.0 PSI 39 39 A 45 ASN C A 46 GLY N A 46 GLY CA A 46 GLY C 1.0 60.0 100.0 PHI 40 40 A 46 GLY N A 46 GLY CA A 46 GLY C A 47 GLN N 1.0 -26.0 30.0 PSI 41 41 A 46 GLY C A 47 GLN N A 47 GLN CA A 47 GLN C 1.0 -139.0 -83.0 PHI 42 42 A 47 GLN N A 47 GLN CA A 47 GLN C A 48 GLU N 1.0 108.0 184.0 PSI 43 43 A 47 GLN C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -134.0 -58.0 PHI 44 44 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 TYR N 1.0 99.0 159.0 PSI 45 45 A 48 GLU C A 49 TYR N A 49 TYR CA A 49 TYR C 1.0 -162.0 -70.0 PHI 46 46 A 49 TYR N A 49 TYR CA A 49 TYR C A 50 LEU N 1.0 103.0 183.0 PSI 47 47 A 49 TYR C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -156.0 -72.0 PHI 48 48 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 LEU N 1.0 80.0 156.0 PSI 49 49 A 50 LEU C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -141.0 -81.0 PHI 50 50 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 ARG N 1.0 108.0 148.0 PSI 51 51 A 51 LEU C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -170.0 -102.0 PHI 52 52 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 LYS N 1.0 135.0 179.0 PSI 53 53 A 52 ARG C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -153.0 -77.0 PHI 54 54 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 THR N 1.0 100.0 176.0 PSI 55 55 A 53 LYS C A 54 THR N A 54 THR CA A 54 THR C 1.0 -171.0 -60.0 PHI 56 56 A 54 THR N A 54 THR CA A 54 THR C A 55 GLN N 1.0 119.0 195.0 PSI 57 57 A 55 GLN C A 56 ALA N A 56 ALA CA A 56 ALA C 1.0 -114.0 -54.0 PHI 58 58 A 56 ALA N A 56 ALA CA A 56 ALA C A 57 GLY N 1.0 -24.0 16.0 PSI 59 59 A 56 ALA C A 57 GLY N A 57 GLY CA A 57 GLY C 1.0 57.0 113.0 PHI 60 60 A 57 GLY N A 57 GLY CA A 57 GLY C A 58 LYS N 1.0 -18.0 46.0 PSI 61 61 A 57 GLY C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -151.0 -63.0 PHI 62 62 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 LEU N 1.0 88.0 212.0 PSI 63 63 A 58 LYS C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -175.0 -83.0 PHI 64 64 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 LEU N 1.0 127.0 175.0 PSI 65 65 A 59 LEU C A 60 LEU N A 60 LEU CA A 60 LEU C 1.0 -163.0 -115.0 PHI 66 66 A 60 LEU N A 60 LEU CA A 60 LEU C A 61 LEU N 1.0 97.0 167.0 PSI 67 67 A 60 LEU C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -153.0 -73.0 PHI 68 68 A 61 LEU N A 61 LEU CA A 61 LEU C A 62 THR N 1.0 102.0 152.0 PSI 69 69 A 61 LEU C A 62 THR N A 62 THR CA A 62 THR C 1.0 -144.0 -104.0 PHI 70 70 A 62 THR N A 62 THR CA A 62 THR C A 63 LYS N 1.0 116.0 190.0 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 2595.040 2 1H 12004.802 3 1H 11160.714 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 14085.647 2 1H 11203.133 3 1H 11160.714 stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 5031.013 2 1H 9282.596 3 1H 10416.667 stop_ save_