data_nef_c30027_5iew save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 30028 BMRB 30029 PDB 5IEW stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 SER middle . . 3 A 3 MET middle . . 4 A 4 LYS middle . . 5 A 5 GLN middle . . 6 A 6 LEU middle . . 7 A 7 GLU middle . . 8 A 8 ASP middle . . 9 A 9 LYS middle . . 10 A 10 VAL middle . . 11 A 11 GLU middle . . 12 A 12 GLU middle . . 13 A 13 LEU middle . . 14 A 14 LEU middle . . 15 A 15 SER middle . . 16 A 16 LYS middle . . 17 A 17 ASN middle . . 18 A 18 TYR middle . . 19 A 19 HIS middle . . 20 A 20 LEU middle . . 21 A 21 GLU middle . . 22 A 22 ASN middle . . 23 A 23 GLU middle . . 24 A 24 VAL middle . . 25 A 25 ALA middle . . 26 A 26 ARG middle . . 27 A 27 LEU middle . . 28 A 28 LYS middle . . 29 A 29 LYS middle . . 30 A 30 LEU middle . . 31 A 31 VAL middle . . 32 A 32 GLY middle . false 33 A 33 GLU end . . 34 B 1 GLY start . false 35 B 2 SER middle . . 36 B 3 MET middle . . 37 B 4 LYS middle . . 38 B 5 GLN middle . . 39 B 6 LEU middle . . 40 B 7 GLU middle . . 41 B 8 ASP middle . . 42 B 9 LYS middle . . 43 B 10 VAL middle . . 44 B 11 GLU middle . . 45 B 12 GLU middle . . 46 B 13 LEU middle . . 47 B 14 LEU middle . . 48 B 15 SER middle . . 49 B 16 LYS middle . . 50 B 17 ASN middle . . 51 B 18 TYR middle . . 52 B 19 HIS middle . . 53 B 20 LEU middle . . 54 B 21 GLU middle . . 55 B 22 ASN middle . . 56 B 23 GLU middle . . 57 B 24 VAL middle . . 58 B 25 ALA middle . . 59 B 26 ARG middle . . 60 B 27 LEU middle . . 61 B 28 LYS middle . . 62 B 29 LYS middle . . 63 B 30 LEU middle . . 64 B 31 VAL middle . . 65 B 32 GLY middle . false 66 B 33 GLU end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY H1 H 1 7.690 0.000 A 1 GLY HAx H 1 3.825 0.001 A 1 GLY HAy H 1 4.186 0.000 A 1 GLY CA C 13 43.400 0.000 A 1 GLY N N 15 113.394 0.000 A 2 SER H H 1 8.672 0.000 A 2 SER HA H 1 4.101 0.020 A 2 SER HBx H 1 3.925 0.000 A 2 SER HBy H 1 4.108 0.000 A 2 SER HG H 1 2.179 0.000 A 2 SER CA C 13 57.170 0.000 A 2 SER CB C 13 64.500 0.000 A 2 SER N N 15 114.309 0.000 A 3 MET H H 1 8.889 0.000 A 3 MET HA H 1 4.188 0.006 A 3 MET HBy H 1 2.457 0.000 A 3 MET HBx H 1 2.161 0.012 A 3 MET HE% H 1 2.267 0.000 A 3 MET HGx H 1 2.082 0.003 A 3 MET HGy H 1 2.542 0.003 A 3 MET CA C 13 58.200 0.000 A 3 MET CB C 13 31.053 0.000 A 3 MET CE C 13 17.994 0.000 A 3 MET CG C 13 31.900 0.000 A 3 MET N N 15 122.885 0.000 A 4 LYS H H 1 8.188 0.007 A 4 LYS HA H 1 4.198 0.004 A 4 LYS HBx H 1 1.456 0.000 A 4 LYS HBy H 1 1.752 0.006 A 4 LYS HDy H 1 1.632 0.000 A 4 LYS HDx H 1 0.918 0.000 A 4 LYS HEx H 1 3.084 0.000 A 4 LYS HEy H 1 3.371 0.000 A 4 LYS HGy H 1 1.638 0.001 A 4 LYS HGx H 1 1.274 0.001 A 4 LYS CA C 13 57.653 0.000 A 4 LYS CB C 13 31.600 0.000 A 4 LYS CD C 13 27.300 0.000 A 4 LYS CE C 13 41.700 0.000 A 4 LYS CG C 13 24.450 0.000 A 4 LYS N N 15 119.939 0.000 A 5 GLN H H 1 7.737 0.005 A 5 GLN HA H 1 4.091 0.024 A 5 GLN HBx H 1 2.011 0.000 A 5 GLN HBy H 1 2.265 0.003 A 5 GLN HE21 H 1 6.901 0.005 A 5 GLN HE22 H 1 7.618 0.008 A 5 GLN HGx H 1 2.130 0.000 A 5 GLN HGy H 1 2.457 0.000 A 5 GLN CA C 13 59.147 0.000 A 5 GLN CB C 13 29.017 0.000 A 5 GLN CG C 13 34.000 0.000 A 5 GLN N N 15 117.797 0.000 A 5 GLN NE2 N 15 112.200 0.000 A 6 LEU H H 1 7.839 0.014 A 6 LEU HA H 1 4.185 0.010 A 6 LEU HBx H 1 1.436 0.012 A 6 LEU HBy H 1 2.015 0.015 A 6 LEU HDx% H 1 0.843 0.014 A 6 LEU HDy% H 1 0.908 0.010 A 6 LEU HG H 1 1.797 0.025 A 6 LEU CA C 13 57.200 0.000 A 6 LEU CB C 13 42.300 0.000 A 6 LEU CDy C 13 23.100 0.000 A 6 LEU CDx C 13 22.000 0.000 A 6 LEU CG C 13 27.447 0.000 A 6 LEU N N 15 121.313 0.000 A 7 GLU H H 1 8.657 0.010 A 7 GLU HA H 1 3.840 0.000 A 7 GLU HBy H 1 2.251 0.000 A 7 GLU HBx H 1 2.189 0.000 A 7 GLU HGy H 1 2.524 0.000 A 7 GLU HGx H 1 2.083 0.000 A 7 GLU CA C 13 60.147 0.000 A 7 GLU CB C 13 29.300 0.000 A 7 GLU CG C 13 35.300 0.000 A 7 GLU N N 15 120.752 0.000 A 8 ASP H H 1 8.641 0.001 A 8 ASP HA H 1 4.391 0.012 A 8 ASP HBy H 1 2.797 0.001 A 8 ASP HBx H 1 2.655 0.006 A 8 ASP CA C 13 56.800 0.000 A 8 ASP CB C 13 39.647 0.000 A 8 ASP N N 15 120.018 0.000 A 9 LYS H H 1 7.912 0.002 A 9 LYS HA H 1 4.205 0.008 A 9 LYS HBx H 1 1.583 0.019 A 9 LYS HBy H 1 1.813 0.004 A 9 LYS HDy H 1 1.714 0.000 A 9 LYS HDx H 1 0.994 0.004 A 9 LYS HEx H 1 3.061 0.000 A 9 LYS HEy H 1 3.277 0.000 A 9 LYS HGx H 1 1.378 0.002 A 9 LYS HGy H 1 1.718 0.000 A 9 LYS CA C 13 57.700 0.000 A 9 LYS CB C 13 31.247 0.000 A 9 LYS CD C 13 28.453 0.000 A 9 LYS CE C 13 42.447 0.000 A 9 LYS CG C 13 24.153 0.000 A 9 LYS N N 15 123.632 0.000 A 10 VAL H H 1 8.450 0.011 A 10 VAL HA H 1 3.427 0.013 A 10 VAL HB H 1 2.233 0.026 A 10 VAL HGx% H 1 1.083 0.013 A 10 VAL HGy% H 1 0.889 0.017 A 10 VAL CA C 13 68.047 0.000 A 10 VAL CB C 13 31.647 0.000 A 10 VAL CGy C 13 24.400 0.000 A 10 VAL CGx C 13 21.247 0.000 A 10 VAL N N 15 120.228 0.000 A 11 GLU H H 1 7.773 0.010 A 11 GLU HA H 1 4.170 0.000 A 11 GLU HBy H 1 2.092 0.008 A 11 GLU HBx H 1 1.985 0.008 A 11 GLU HGx H 1 2.187 0.004 A 11 GLU HGy H 1 2.452 0.005 A 11 GLU CA C 13 58.553 0.000 A 11 GLU CB C 13 28.800 0.000 A 11 GLU CG C 13 37.041 0.000 A 11 GLU N N 15 117.009 0.000 A 12 GLU H H 1 8.193 0.008 A 12 GLU HA H 1 4.174 0.004 A 12 GLU HBx H 1 2.036 0.020 A 12 GLU HBy H 1 2.264 0.000 A 12 GLU HGy H 1 2.440 0.018 A 12 GLU HGx H 1 2.361 0.017 A 12 GLU CA C 13 58.647 0.000 A 12 GLU CB C 13 29.300 0.000 A 12 GLU CG C 13 35.500 0.000 A 12 GLU N N 15 121.078 0.000 A 13 LEU H H 1 8.664 0.006 A 13 LEU HA H 1 4.044 0.000 A 13 LEU HBx H 1 1.271 0.013 A 13 LEU HBy H 1 2.041 0.022 A 13 LEU HDx% H 1 0.850 0.025 A 13 LEU HDy% H 1 0.819 0.018 A 13 LEU HG H 1 1.813 0.021 A 13 LEU CA C 13 57.700 0.000 A 13 LEU CB C 13 42.800 0.000 A 13 LEU CDx C 13 22.300 0.000 A 13 LEU CDy C 13 24.353 0.000 A 13 LEU CG C 13 26.900 0.000 A 13 LEU N N 15 120.692 0.000 A 14 LEU H H 1 9.097 0.016 A 14 LEU HA H 1 4.092 0.000 A 14 LEU HBy H 1 1.990 0.011 A 14 LEU HBx H 1 1.467 0.011 A 14 LEU HDx% H 1 0.928 0.009 A 14 LEU HDy% H 1 0.823 0.009 A 14 LEU HG H 1 1.729 0.000 A 14 LEU CA C 13 58.247 0.000 A 14 LEU CB C 13 41.950 0.000 A 14 LEU CDx C 13 23.400 0.000 A 14 LEU CDy C 13 25.447 0.000 A 14 LEU CG C 13 26.353 0.000 A 14 LEU N N 15 122.323 0.000 A 15 SER H H 1 7.844 0.004 A 15 SER HA H 1 4.096 0.005 A 15 SER HBy H 1 4.369 0.006 A 15 SER HBx H 1 4.021 0.000 A 15 SER CA C 13 60.453 0.000 A 15 SER CB C 13 62.400 0.000 A 15 SER N N 15 114.879 0.000 A 16 LYS H H 1 8.285 0.009 A 16 LYS HA H 1 4.177 0.006 A 16 LYS HBy H 1 1.878 0.021 A 16 LYS HBx H 1 1.699 0.023 A 16 LYS HDy H 1 1.613 0.000 A 16 LYS HDx H 1 0.899 0.000 A 16 LYS HEx H 1 2.935 0.000 A 16 LYS HEy H 1 3.276 0.000 A 16 LYS HGx H 1 1.450 0.008 A 16 LYS HGy H 1 1.545 0.008 A 16 LYS CA C 13 59.100 0.000 A 16 LYS CB C 13 32.500 0.000 A 16 LYS CD C 13 27.903 0.000 A 16 LYS CE C 13 41.500 0.000 A 16 LYS CG C 13 25.07 0.000 A 16 LYS N N 15 122.413 0.000 A 17 ASN H H 1 8.830 0.001 A 17 ASN HA H 1 4.378 0.005 A 17 ASN HBy H 1 3.261 0.019 A 17 ASN HBx H 1 2.738 0.017 A 17 ASN HD21 H 1 7.610 0.009 A 17 ASN HD22 H 1 6.656 0.000 A 17 ASN CA C 13 57.347 0.000 A 17 ASN CB C 13 38.600 0.000 A 17 ASN N N 15 119.624 0.000 A 17 ASN ND2 N 15 123.466 0.000 A 18 TYR H H 1 8.208 0.006 A 18 TYR HA H 1 4.388 0.010 A 18 TYR HBy H 1 3.222 0.010 A 18 TYR HBx H 1 2.796 0.010 A 18 TYR HD1 H 1 7.046 0.020 A 18 TYR HD2 H 1 7.046 0.020 A 18 TYR HE1 H 1 6.841 0.000 A 18 TYR HE2 H 1 6.841 0.000 A 18 TYR CA C 13 60.500 0.000 A 18 TYR CB C 13 37.153 0.000 A 18 TYR N N 15 120.529 0.000 A 19 HIS H H 1 7.835 0.009 A 19 HIS HA H 1 4.344 0.022 A 19 HIS HBy H 1 3.331 0.006 A 19 HIS HBx H 1 2.911 0.006 A 19 HIS HD2 H 1 7.851 0.000 A 19 HIS HE1 H 1 8.199 0.000 A 19 HIS CA C 13 59.100 0.000 A 19 HIS CB C 13 29.394 0.000 A 19 HIS N N 15 118.050 0.000 A 20 LEU H H 1 8.567 0.006 A 20 LEU HA H 1 3.974 0.007 A 20 LEU HBx H 1 1.280 0.003 A 20 LEU HBy H 1 1.650 0.013 A 20 LEU HDx% H 1 0.980 0.013 A 20 LEU HDy% H 1 0.894 0.003 A 20 LEU HG H 1 2.093 0.008 A 20 LEU CA C 13 57.700 0.000 A 20 LEU CB C 13 43.200 0.000 A 20 LEU CDx C 13 23.850 0.000 A 20 LEU CDy C 13 24.547 0.000 A 20 LEU CG C 13 26.847 0.000 A 20 LEU N N 15 120.734 0.000 A 21 GLU H H 1 8.883 0.025 A 21 GLU HA H 1 3.942 0.000 A 21 GLU HBy H 1 2.184 0.004 A 21 GLU HBx H 1 2.017 0.003 A 21 GLU HGy H 1 2.468 0.004 A 21 GLU HGx H 1 2.186 0.005 A 21 GLU CA C 13 59.600 0.000 A 21 GLU CB C 13 29.347 0.000 A 21 GLU CG C 13 36.400 0.000 A 21 GLU N N 15 119.793 0.000 A 22 ASN H H 1 7.752 0.006 A 22 ASN HA H 1 4.429 0.023 A 22 ASN HBy H 1 2.843 0.005 A 22 ASN HBx H 1 2.745 0.004 A 22 ASN HD21 H 1 7.457 0.005 A 22 ASN HD22 H 1 5.835 0.015 A 22 ASN CA C 13 55.400 0.000 A 22 ASN CB C 13 37.200 0.000 A 22 ASN N N 15 119.297 0.000 A 22 ASN ND2 N 15 111.637 0.040 A 23 GLU H H 1 8.135 0.006 A 23 GLU HA H 1 4.471 0.003 A 23 GLU HBy H 1 2.102 0.006 A 23 GLU HBx H 1 1.972 0.006 A 23 GLU HGx H 1 2.282 0.000 A 23 GLU HGy H 1 2.455 0.000 A 23 GLU CA C 13 58.200 0.000 A 23 GLU CB C 13 29.700 0.000 A 23 GLU CG C 13 36.300 0.000 A 23 GLU N N 15 124.212 0.000 A 24 VAL H H 1 8.732 0.011 A 24 VAL HA H 1 3.396 0.014 A 24 VAL HB H 1 2.081 0.021 A 24 VAL HGx% H 1 1.001 0.015 A 24 VAL HGy% H 1 0.871 0.003 A 24 VAL CA C 13 67.000 0.000 A 24 VAL CB C 13 31.647 0.000 A 24 VAL CGy C 13 25.000 0.000 A 24 VAL CGx C 13 21.000 0.000 A 24 VAL N N 15 120.481 0.000 A 25 ALA H H 1 7.752 0.006 A 25 ALA HA H 1 4.013 0.014 A 25 ALA HB% H 1 1.455 0.010 A 25 ALA CA C 13 54.900 0.000 A 25 ALA CB C 13 17.600 0.000 A 25 ALA N N 15 120.034 0.000 A 26 ARG H H 1 7.970 0.020 A 26 ARG HA H 1 3.994 0.000 A 26 ARG HBx H 1 1.900 0.011 A 26 ARG HBy H 1 2.113 0.011 A 26 ARG HDx H 1 2.923 0.004 A 26 ARG HDy H 1 3.376 0.000 A 26 ARG HGy H 1 2.174 0.017 A 26 ARG HGx H 1 2.106 0.028 A 26 ARG CA C 13 59.647 0.000 A 26 ARG CB C 13 30.200 0.000 A 26 ARG CD C 13 42.400 0.000 A 26 ARG CG C 13 28.194 0.000 A 26 ARG N N 15 119.922 0.000 A 27 LEU H H 1 8.460 0.004 A 27 LEU HA H 1 3.942 0.015 A 27 LEU HBx H 1 1.305 0.017 A 27 LEU HBy H 1 1.921 0.021 A 27 LEU HDx% H 1 0.831 0.000 A 27 LEU HDy% H 1 0.903 0.000 A 27 LEU HG H 1 1.656 0.015 A 27 LEU CA C 13 57.700 0.000 A 27 LEU CB C 13 43.700 0.000 A 27 LEU CDx C 13 23.100 0.000 A 27 LEU CDy C 13 24.944 0.000 A 27 LEU CG C 13 26.353 0.000 A 27 LEU N N 15 120.524 0.000 A 28 LYS H H 1 9.025 0.007 A 28 LYS HA H 1 3.804 0.015 A 28 LYS HBx H 1 1.280 0.000 A 28 LYS HBy H 1 1.812 0.014 A 28 LYS HDy H 1 1.700 0.023 A 28 LYS HDx H 1 0.903 0.000 A 28 LYS HEx H 1 2.919 0.000 A 28 LYS HEy H 1 3.377 0.000 A 28 LYS HGy H 1 1.582 0.002 A 28 LYS HGx H 1 1.351 0.000 A 28 LYS CA C 13 61.047 0.000 A 28 LYS CB C 13 32.100 0.000 A 28 LYS CD C 13 29.000 0.000 A 28 LYS CE C 13 41.947 0.000 A 28 LYS CG C 13 27.100 0.000 A 28 LYS N N 15 118.977 0.000 A 29 LYS H H 1 7.312 0.002 A 29 LYS HA H 1 4.182 0.009 A 29 LYS HBy H 1 1.906 0.002 A 29 LYS HBx H 1 1.723 0.010 A 29 LYS HDy H 1 1.526 0.000 A 29 LYS HDx H 1 1.093 0.000 A 29 LYS HEx H 1 2.916 0.008 A 29 LYS HEy H 1 3.286 0.008 A 29 LYS HGx H 1 1.545 0.001 A 29 LYS HGy H 1 1.646 0.000 A 29 LYS CA C 13 58.200 0.000 A 29 LYS CB C 13 32.100 0.000 A 29 LYS CD C 13 29.000 0.000 A 29 LYS CE C 13 41.747 0.000 A 29 LYS CG C 13 25.247 0.000 A 29 LYS N N 15 117.147 0.000 A 30 LEU H H 1 7.449 0.016 A 30 LEU HA H 1 4.195 0.006 A 30 LEU HBx H 1 1.593 0.021 A 30 LEU HBy H 1 1.909 0.021 A 30 LEU HDx% H 1 0.868 0.008 A 30 LEU HDy% H 1 0.945 0.008 A 30 LEU HG H 1 2.086 0.002 A 30 LEU CA C 13 56.800 0.000 A 30 LEU CB C 13 42.300 0.000 A 30 LEU CDx C 13 22.300 0.000 A 30 LEU CDy C 13 24.900 0.000 A 30 LEU CG C 13 25.000 0.000 A 30 LEU N N 15 118.834 0.000 A 31 VAL H H 1 7.671 0.016 A 31 VAL HA H 1 4.173 0.019 A 31 VAL HB H 1 2.189 0.003 A 31 VAL HGx% H 1 0.901 0.015 A 31 VAL HGy% H 1 0.986 0.015 A 31 VAL CA C 13 61.900 0.000 A 31 VAL CB C 13 32.100 0.000 A 31 VAL CGy C 13 21.200 0.000 A 31 VAL CGx C 13 20.847 0.000 A 31 VAL N N 15 113.699 0.000 A 32 GLY H H 1 7.864 0.020 A 32 GLY HAx H 1 3.867 0.019 A 32 GLY HAy H 1 4.167 0.000 A 32 GLY CA C 13 45.600 0.000 A 32 GLY N N 15 109.911 0.000 A 33 GLU H H 1 7.805 0.000 A 33 GLU HA H 1 4.189 0.005 A 33 GLU HBy H 1 2.170 0.000 A 33 GLU HBx H 1 2.026 0.000 A 33 GLU HG3 H 1 2.111 0.000 A 33 GLU CA C 13 56.653 0.000 A 33 GLU CB C 13 30.700 0.000 A 33 GLU CG C 13 35.500 0.000 A 33 GLU N N 15 126.136 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin 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 18 TYR HA A 21 GLU HBx 1.0 2.828 4.242 2 2 B 18 TYR HA B 21 GLU HBy 1.0 2.828 4.242 3 3 B 11 GLU HA B 10 VAL HB 1.0 3.286 4.928 4 4 A 11 GLU HA A 10 VAL HB 1.0 3.286 4.928 5 5 A 6 LEU HA A 6 LEU HDy% 1.0 2.916 4.374 6 6 B 6 LEU HA B 6 LEU HD21 1.0 2.916 4.374 7 7 A 10 VAL HB A 10 VAL HGy% 1.0 2.779 4.169 8 8 B 10 VAL HB B 10 VAL HG21 1.0 2.779 4.169 9 9 B 6 LEU HA A 10 VAL HGy% 1.0 3.132 4.698 10 10 A 6 LEU HA B 10 VAL HG21 1.0 3.132 4.698 11 11 A 12 GLU HA A 11 GLU HBy 1.0 3.488 5.232 12 12 B 12 GLU HA B 11 GLU HBx 1.0 3.488 5.232 13 13 B 9 LYS HA B 9 LYS HGx 1.0 3.052 4.578 14 14 A 9 LYS HA A 9 LYS HGx 1.0 3.052 4.578 15 15 B 3 MET HA B 6 LEU HBy 1.0 3.377 5.065 16 16 A 3 MET HA A 6 LEU HBy 1.0 3.377 5.065 17 17 B 30 LEU HBy B 30 LEU HD11 1.0 3.183 4.775 18 18 A 30 LEU HBy A 30 LEU HDx% 1.0 3.183 4.775 19 19 A 30 LEU HA A 30 LEU HDx% 1.0 3.110 4.666 20 20 B 30 LEU HA B 30 LEU HD11 1.0 3.110 4.666 21 21 B 30 LEU HG A 31 VAL HGy% 1.0 3.997 5.995 22 22 A 30 LEU HG B 31 VAL HG21 1.0 3.997 5.995 23 23 A 30 LEU HBx A 30 LEU HDy% 1.0 3.268 4.902 24 24 B 30 LEU HBx B 30 LEU HD21 1.0 3.268 4.902 25 25 B 20 LEU HA B 20 LEU HBx 1.0 2.876 4.314 26 26 A 20 LEU HA A 20 LEU HBx 1.0 2.876 4.314 27 27 A 20 LEU HA A 20 LEU HDy% 1.0 2.567 3.851 28 28 B 20 LEU HA B 20 LEU HD21 1.0 2.567 3.851 29 29 A 14 LEU HBx A 14 LEU HDx% 1.0 3.356 5.034 30 30 B 14 LEU HBy B 14 LEU HD11 1.0 3.356 5.034 31 31 A 16 LYS HBx A 13 LEU HDy% 1.0 3.346 5.020 32 32 B 16 LYS HBy B 13 LEU HD21 1.0 3.346 5.020 33 33 B 20 LEU HA B 20 LEU HD11 1.0 3.181 4.771 34 34 A 20 LEU HA A 20 LEU HDx% 1.0 3.181 4.771 35 35 A 16 LYS HDx A 12 GLU HBy 1.0 3.920 5.880 36 36 B 16 LYS HDy B 12 GLU HBy 1.0 3.920 5.880 37 37 B 20 LEU HG B 16 LYS HEx 1.0 4.241 6.361 38 38 A 20 LEU HG A 16 LYS HEx 1.0 4.241 6.361 39 39 B 10 VAL HA B 10 VAL HG11 1.0 2.626 3.938 40 40 A 10 VAL HA A 10 VAL HGx% 1.0 2.626 3.938 41 41 B 9 LYS HDx B 12 GLU HBx 1.0 2.667 4.001 42 42 A 9 LYS HDy A 12 GLU HBx 1.0 2.667 4.001 43 43 B 24 VAL HA B 24 VAL HG11 1.0 2.939 4.409 44 44 A 24 VAL HA A 24 VAL HGx% 1.0 2.939 4.409 45 45 B 10 VAL HG21 A 6 LEU HDy% 1.0 2.816 4.224 46 46 A 10 VAL HGy% B 6 LEU HD21 1.0 2.816 4.224 47 47 B 23 GLU HA B 26 ARG HGy 1.0 2.962 4.442 48 48 A 23 GLU HA A 26 ARG HGx 1.0 2.962 4.442 49 49 A 22 ASN HA A 24 VAL HB 1.0 4.318 6.476 50 50 B 22 ASN HA B 24 VAL HB 1.0 4.318 6.476 51 51 B 10 VAL HB B 11 GLU HGy 1.0 2.947 4.421 52 52 A 10 VAL HB A 11 GLU HGy 1.0 2.947 4.421 53 53 A 20 LEU HA A 20 LEU HG 1.0 2.674 4.510 54 54 B 20 LEU HA B 20 LEU HG 1.0 2.674 4.510 55 55 B 13 LEU HA B 13 LEU HD21 1.0 2.650 3.974 56 56 A 13 LEU HA A 13 LEU HDy% 1.0 2.650 3.974 57 57 B 24 VAL HB A 20 LEU HBy 1.0 3.209 4.813 58 58 A 24 VAL HB B 20 LEU HBy 1.0 3.209 4.813 59 59 B 20 LEU HD11 A 20 LEU HBy 1.0 3.022 4.532 60 60 A 20 LEU HDx% B 20 LEU HBy 1.0 3.022 4.532 61 61 B 20 LEU HA A 20 LEU HBy 1.0 3.899 5.849 62 62 A 20 LEU HA B 20 LEU HBy 1.0 3.899 5.849 63 63 B 26 ARG HDx B 26 ARG HA 1.0 3.428 5.142 64 64 A 26 ARG HDx A 26 ARG HA 1.0 3.428 5.142 65 65 A 18 TYR HA A 17 ASN HBx 1.0 3.002 4.504 66 66 B 18 TYR HA B 17 ASN HBy 1.0 3.002 4.504 67 67 A 18 TYR HBx A 19 HIS HA 1.0 3.380 5.070 68 68 B 18 TYR HBy B 19 HIS HA 1.0 3.380 5.070 69 69 B 17 ASN HBy B 18 TYR HBx 1.0 3.538 5.308 70 70 A 17 ASN HBx A 18 TYR HBy 1.0 3.538 5.308 71 71 B 18 TYR HA B 17 ASN HBy 1.0 3.459 5.189 72 72 A 18 TYR HA A 17 ASN HBx 1.0 3.459 5.189 73 73 A 13 LEU HA A 17 ASN HBy 1.0 3.504 5.256 74 74 B 13 LEU HA B 17 ASN HBx 1.0 3.504 5.256 75 75 A 9 LYS HA A 13 LEU HG 1.0 3.228 4.842 76 76 B 9 LYS HA B 13 LEU HG 1.0 3.228 4.842 77 77 B 12 GLU HA B 16 LYS HBx 1.0 3.658 5.488 78 78 A 12 GLU HA A 16 LYS HBy 1.0 3.658 5.488 79 79 A 14 LEU HG A 14 LEU HBy 1.0 2.930 4.396 80 80 B 14 LEU HG B 14 LEU HBx 1.0 2.930 4.396 81 81 B 6 LEU HA B 6 LEU HD21 1.0 2.949 4.423 82 82 A 6 LEU HA A 6 LEU HDy% 1.0 2.949 4.423 83 83 A 10 VAL HA B 13 LEU HBx 1.0 3.467 5.201 84 84 B 10 VAL HA A 13 LEU HBx 1.0 3.467 5.201 85 85 B 6 LEU HBy B 6 LEU HD11 1.0 3.022 4.532 86 86 A 6 LEU HBy A 6 LEU HDx% 1.0 3.022 4.532 87 87 B 14 LEU HBx A 13 LEU HDx% 1.0 3.263 4.895 88 88 A 14 LEU HBy B 13 LEU HD11 1.0 3.263 4.895 89 89 A 6 LEU HA A 6 LEU HDy% 1.0 2.891 4.837 90 90 B 6 LEU HA B 6 LEU HD21 1.0 2.891 4.837 91 91 B 6 LEU HBx B 6 LEU HD21 1.0 3.392 5.088 92 92 A 6 LEU HBx A 6 LEU HDy% 1.0 3.392 5.088 93 93 B 11 GLU HA B 10 VAL HG11 1.0 3.239 4.859 94 94 A 11 GLU HA A 10 VAL HGx% 1.0 3.239 4.859 95 95 A 9 LYS HA A 12 GLU HGx 1.0 3.174 4.762 96 96 B 9 LYS HA B 12 GLU HGy 1.0 3.174 4.762 97 97 B 13 LEU HA B 13 LEU HG 1.0 2.630 3.946 98 98 A 13 LEU HA A 13 LEU HG 1.0 2.630 3.946 99 99 A 12 GLU HA A 11 GLU HBy 1.0 3.780 5.670 100 100 B 12 GLU HA B 11 GLU HBy 1.0 3.780 5.670 101 101 B 11 GLU HA B 14 LEU HG 1.0 4.212 6.318 102 102 A 11 GLU HA A 14 LEU HG 1.0 4.212 6.318 103 103 B 11 GLU HA B 12 GLU HGy 1.0 4.350 6.524 104 104 A 11 GLU HA A 12 GLU HGx 1.0 4.350 6.524 105 105 A 11 GLU HA A 11 GLU HGy 1.0 2.872 4.308 106 106 B 11 GLU HA B 11 GLU HGy 1.0 2.872 4.308 107 107 B 3 MET HA A 3 MET HGx 1.0 3.853 5.779 108 108 A 3 MET HA B 3 MET HGx 1.0 3.853 5.779 109 109 A 13 LEU HA A 13 LEU HDy% 1.0 2.814 4.222 110 110 B 13 LEU HA B 13 LEU HD21 1.0 2.814 4.222 111 111 A 20 LEU HDx% B 20 LEU HBy 1.0 3.038 4.556 112 112 B 20 LEU HD11 A 20 LEU HBy 1.0 3.038 4.556 113 113 A 11 GLU HA A 12 GLU HGx 1.0 4.257 6.385 114 114 B 11 GLU HA B 12 GLU HGy 1.0 4.257 6.385 115 115 A 11 GLU HBy A 12 GLU HGx 1.0 2.903 4.355 116 116 B 11 GLU HBx B 12 GLU HGy 1.0 2.903 4.355 117 117 A 30 LEU HA A 29 LYS HGy 1.0 3.734 5.600 118 118 B 30 LEU HA B 29 LYS HGy 1.0 3.734 5.600 119 119 A 20 LEU HBx B 20 LEU HBy 1.0 2.338 3.508 120 120 B 20 LEU HBx A 20 LEU HBy 1.0 2.338 3.508 121 121 A 28 LYS HA A 27 LEU HBy 1.0 3.490 5.234 122 122 B 28 LYS HA B 27 LEU HBy 1.0 3.490 5.234 123 123 A 28 LYS HBx A 28 LYS HGy 1.0 2.877 4.815 124 124 B 28 LYS HBx B 28 LYS HGx 1.0 2.877 4.815 125 125 A 18 TYR HBx A 18 TYR HE1 1.0 4.224 6.336 126 126 B 18 TYR HBy B 18 TYR HEx 1.0 4.224 6.336 127 127 A 10 VAL HGy% B 10 VAL HA 1.0 3.063 4.595 128 128 B 10 VAL HG21 A 10 VAL HA 1.0 3.063 4.595 129 129 A 10 VAL HA A 12 GLU HBx 1.0 3.998 5.996 130 130 B 10 VAL HA B 12 GLU HBx 1.0 3.998 5.996 131 131 B 10 VAL HB B 10 VAL HG11 1.0 2.429 4.393 132 132 A 10 VAL HB A 10 VAL HGx% 1.0 2.429 4.393 133 133 A 9 LYS HA A 13 LEU HG 1.0 3.609 5.413 134 134 B 9 LYS HA B 13 LEU HG 1.0 3.609 5.413 135 135 B 18 TYR HBy B 19 HIS HA 1.0 3.737 5.605 136 136 A 18 TYR HBx A 19 HIS HA 1.0 3.737 5.605 137 137 B 8 ASP HA B 8 ASP HBx 1.0 2.817 4.225 138 138 A 8 ASP HA A 8 ASP HBy 1.0 2.817 4.225 139 139 A 10 VAL HB A 11 GLU HGy 1.0 2.423 4.385 140 140 B 10 VAL HB B 11 GLU HGy 1.0 2.423 4.385 141 141 B 11 GLU HA B 11 GLU HBx 1.0 2.958 4.438 142 142 A 11 GLU HA A 11 GLU HBy 1.0 2.958 4.438 143 143 B 29 LYS HA B 29 LYS HBy 1.0 2.612 3.918 144 144 A 29 LYS HA A 29 LYS HBx 1.0 2.612 3.918 145 145 B 30 LEU HBx B 29 LYS HGx 1.0 3.534 5.302 146 146 A 30 LEU HBx A 29 LYS HGx 1.0 3.534 5.302 147 147 B 19 HIS HA B 18 TYR H 1.0 4.230 6.346 148 148 A 19 HIS HA A 18 TYR H 1.0 4.230 6.346 149 149 B 16 LYS HA B 15 SER H 1.0 4.035 6.053 150 150 A 16 LYS HA A 15 SER H 1.0 4.035 6.053 151 151 A 10 VAL HGx% A 11 GLU H 1.0 3.074 4.612 152 152 B 10 VAL HG11 B 11 GLU H 1.0 3.074 4.612 153 153 B 33 GLU HA B 31 VAL HG21 1.0 3.132 4.698 154 154 A 33 GLU HA A 31 VAL HGy% 1.0 3.132 4.698 155 155 A 30 LEU HA A 29 LYS HBx 1.0 3.292 4.938 156 156 B 30 LEU HA B 29 LYS HBy 1.0 3.292 4.938 157 157 B 11 GLU HGy B 7 GLU HA 1.0 3.220 5.080 158 158 A 11 GLU HGy A 7 GLU HA 1.0 3.220 5.080 159 159 B 30 LEU HBx B 29 LYS HBy 1.0 3.361 5.041 160 160 A 30 LEU HBx A 29 LYS HBx 1.0 3.361 5.041 161 161 A 13 LEU HBy B 13 LEU HD21 1.0 2.855 4.783 162 162 B 13 LEU HBy A 13 LEU HDy% 1.0 2.855 4.783 163 163 B 24 VAL HA B 24 VAL HG11 1.0 2.914 4.372 164 164 A 24 VAL HA A 24 VAL HGx% 1.0 2.914 4.372 165 165 B 10 VAL HA A 13 LEU HBy 1.0 4.063 6.095 166 166 A 10 VAL HA B 13 LEU HBy 1.0 4.063 6.095 167 167 B 10 VAL HA A 13 LEU HBx 1.0 3.310 4.966 168 168 A 10 VAL HA B 13 LEU HBx 1.0 3.310 4.966 169 169 A 10 VAL HGx% A 14 LEU HBy 1.0 2.760 4.140 170 170 B 10 VAL HG11 B 14 LEU HBx 1.0 2.760 4.140 171 171 B 23 GLU HA B 27 LEU HG 1.0 3.350 5.024 172 172 A 23 GLU HA A 27 LEU HG 1.0 3.350 5.024 173 173 A 11 GLU HBy A 11 GLU HGx 1.0 2.757 4.135 174 174 B 11 GLU HBx B 11 GLU HGx 1.0 2.757 4.135 175 175 B 20 LEU HBy B 17 ASN HA 1.0 3.762 5.642 176 176 A 20 LEU HBy A 17 ASN HA 1.0 3.762 5.642 177 177 A 16 LYS HA A 16 LYS HEy 1.0 3.774 5.660 178 178 B 16 LYS HA B 16 LYS HEy 1.0 3.774 5.660 179 179 A 16 LYS HBx A 18 TYR H 1.0 3.644 5.466 180 180 B 16 LYS HBy B 18 TYR H 1.0 3.644 5.466 181 181 B 17 ASN HBx B 15 SER HA 1.0 4.170 6.254 182 182 A 17 ASN HBy A 15 SER HA 1.0 4.170 6.254 183 183 A 14 LEU HDx% A 17 ASN HBy 1.0 3.470 5.206 184 184 B 14 LEU HD11 B 17 ASN HBx 1.0 3.470 5.206 185 185 A 16 LYS HBx A 13 LEU HA 1.0 2.746 4.620 186 186 B 16 LYS HBy B 13 LEU HA 1.0 2.746 4.620 187 187 A 13 LEU HA A 16 LYS HBy 1.0 3.138 4.708 188 188 B 13 LEU HA B 16 LYS HBx 1.0 3.138 4.708 189 189 B 12 GLU HA B 15 SER HBy 1.0 2.430 3.646 190 190 A 12 GLU HA A 15 SER HBx 1.0 2.430 3.646 191 191 A 16 LYS HA A 15 SER H 1.0 4.287 6.431 192 192 B 16 LYS HA B 15 SER H 1.0 4.287 6.431 193 193 A 10 VAL HA A 10 VAL HGx% 1.0 2.651 3.977 194 194 B 10 VAL HA B 10 VAL HG11 1.0 2.651 3.977 195 195 A 10 VAL HGy% A 10 VAL HGx% 1.0 2.298 3.446 196 196 B 10 VAL HG21 B 10 VAL HG11 1.0 2.298 3.446 197 197 B 12 GLU HA B 11 GLU HBx 1.0 3.235 4.853 198 198 A 12 GLU HA A 11 GLU HBy 1.0 3.235 4.853 199 199 A 19 HIS HA A 18 TYR HBy 1.0 3.385 5.077 200 200 B 19 HIS HA B 18 TYR HBx 1.0 3.385 5.077 201 201 A 8 ASP HA A 12 GLU H 1.0 3.506 5.260 202 202 B 8 ASP HA B 12 GLU H 1.0 3.506 5.260 203 203 A 12 GLU HGx A 8 ASP HBy 1.0 4.344 6.516 204 204 B 12 GLU HGy B 8 ASP HBx 1.0 4.344 6.516 205 205 B 12 GLU HA B 11 GLU H 1.0 4.317 6.475 206 206 A 12 GLU HA A 11 GLU H 1.0 4.317 6.475 207 207 A 9 LYS HA A 8 ASP HBy 1.0 3.754 5.630 208 208 B 9 LYS HA B 8 ASP HBx 1.0 3.754 5.630 209 209 A 6 LEU H A 5 GLN HGx 1.0 4.142 6.212 210 210 B 6 LEU H B 5 GLN HGx 1.0 4.142 6.212 211 211 A 30 LEU HBy A 30 LEU H 1.0 2.374 4.310 212 212 B 30 LEU HBy B 30 LEU H 1.0 2.374 4.310 213 213 A 24 VAL H A 25 ALA HB% 1.0 3.751 5.627 214 214 B 24 VAL H B 25 ALA HB1 1.0 3.751 5.627 215 215 A 6 LEU HBy A 6 LEU H 1.0 2.914 4.370 216 216 B 6 LEU HBy B 6 LEU H 1.0 2.914 4.370 217 217 A 20 LEU H A 21 GLU H 1.0 2.690 4.534 218 218 B 20 LEU H B 21 GLU H 1.0 2.690 4.534 219 219 B 14 LEU HA B 14 LEU H 1.0 2.492 3.738 220 220 A 14 LEU HA A 14 LEU H 1.0 2.492 3.738 221 221 B 12 GLU H B 14 LEU H 1.0 3.440 5.160 222 222 A 12 GLU H A 14 LEU H 1.0 3.440 5.160 223 223 B 10 VAL H B 9 LYS H 1.0 2.592 3.888 224 224 A 10 VAL H A 9 LYS H 1.0 2.592 3.888 225 225 A 26 ARG H A 26 ARG HBx 1.0 2.511 3.767 226 226 B 26 ARG H B 26 ARG HBx 1.0 2.511 3.767 227 227 A 14 LEU HBy A 14 LEU H 1.0 2.630 4.444 228 228 B 14 LEU HBx B 14 LEU H 1.0 2.630 4.444 229 229 A 20 LEU H A 23 GLU H 1.0 3.982 5.972 230 230 B 20 LEU H B 23 GLU H 1.0 3.982 5.972 231 231 B 8 ASP H B 7 GLU HBx 1.0 1.882 3.822 232 232 A 8 ASP H A 7 GLU HBy 1.0 1.882 3.822 233 233 A 6 LEU H A 7 GLU H 1.0 2.812 4.218 234 234 B 6 LEU H B 7 GLU H 1.0 2.812 4.218 235 235 B 4 LYS HA B 4 LYS H 1.0 2.631 3.947 236 236 A 4 LYS HA A 4 LYS H 1.0 2.631 3.947 237 237 A 6 LEU H A 6 LEU HG 1.0 2.708 4.062 238 238 B 6 LEU H B 6 LEU HG 1.0 2.708 4.062 239 239 A 18 TYR HBx A 18 TYR H 1.0 2.173 3.259 240 240 B 18 TYR HBy B 18 TYR H 1.0 2.173 3.259 241 241 A 7 GLU H A 5 GLN H 1.0 3.580 5.370 242 242 B 7 GLU H B 5 GLN H 1.0 3.580 5.370 243 243 A 18 TYR H A 17 ASN H 1.0 2.866 4.298 244 244 B 18 TYR H B 17 ASN H 1.0 2.866 4.298 245 245 A 18 TYR H A 19 HIS H 1.0 2.796 4.194 246 246 B 18 TYR H B 19 HIS H 1.0 2.796 4.194 247 247 B 11 GLU H B 11 GLU HGx 1.0 2.809 4.213 248 248 A 11 GLU H A 11 GLU HGx 1.0 2.809 4.213 249 249 A 29 LYS HBx A 29 LYS H 1.0 2.184 3.276 250 250 B 29 LYS HBy B 29 LYS H 1.0 2.184 3.276 251 251 A 6 LEU H A 7 GLU H 1.0 2.694 4.040 252 252 B 6 LEU H B 7 GLU H 1.0 2.694 4.040 253 253 B 11 GLU HA B 11 GLU H 1.0 2.512 3.768 254 254 A 11 GLU HA A 11 GLU H 1.0 2.512 3.768 255 255 A 20 LEU H A 21 GLU H 1.0 2.865 4.297 256 256 B 20 LEU H B 21 GLU H 1.0 2.865 4.297 257 257 B 5 GLN H B 5 GLN HA 1.0 2.639 3.959 258 258 A 5 GLN H A 5 GLN HA 1.0 2.639 3.959 259 259 B 11 GLU H B 10 VAL H 1.0 2.735 4.103 260 260 A 11 GLU H A 10 VAL H 1.0 2.735 4.103 261 261 A 14 LEU HBx A 14 LEU H 1.0 2.354 3.530 262 262 B 14 LEU HBy B 14 LEU H 1.0 2.354 3.530 263 263 A 21 GLU HBx A 21 GLU H 1.0 2.514 3.772 264 264 B 21 GLU HBy B 21 GLU H 1.0 2.514 3.772 265 265 B 20 LEU HA B 20 LEU H 1.0 2.916 4.374 266 266 A 20 LEU HA A 20 LEU H 1.0 2.916 4.374 267 267 B 24 VAL H B 24 VAL HG21 1.0 2.310 3.466 268 268 A 24 VAL H A 24 VAL HGy% 1.0 2.310 3.466 269 269 B 16 LYS HBy B 16 LYS H 1.0 2.337 3.505 270 270 A 16 LYS HBx A 16 LYS H 1.0 2.337 3.505 271 271 A 15 SER H A 14 LEU H 1.0 2.754 4.132 272 272 B 15 SER H B 14 LEU H 1.0 2.754 4.132 273 273 B 26 ARG H B 27 LEU H 1.0 2.765 4.147 274 274 A 26 ARG H A 27 LEU H 1.0 2.765 4.147 275 275 A 33 GLU HBy A 33 GLU H 1.0 2.532 3.798 276 276 B 33 GLU HBx B 33 GLU H 1.0 2.532 3.798 277 277 B 24 VAL H B 23 GLU H 1.0 2.842 4.264 278 278 A 24 VAL H A 23 GLU H 1.0 2.842 4.264 279 279 B 7 GLU HA B 8 ASP H 1.0 3.196 4.794 280 280 A 7 GLU HA A 8 ASP H 1.0 3.196 4.794 281 281 A 8 ASP H A 8 ASP HBx 1.0 2.433 3.649 282 282 B 8 ASP H B 8 ASP HBy 1.0 2.433 3.649 283 283 A 9 LYS H A 8 ASP H 1.0 2.655 3.983 284 284 B 9 LYS H B 8 ASP H 1.0 2.655 3.983 285 285 B 25 ALA HB1 B 25 ALA H 1.0 2.247 3.371 286 286 A 25 ALA HB% A 25 ALA H 1.0 2.247 3.371 287 287 A 15 SER H A 15 SER HBx 1.0 2.616 3.924 288 288 B 15 SER H B 15 SER HBy 1.0 2.616 3.924 289 289 B 24 VAL HA B 24 VAL H 1.0 2.940 4.410 290 290 A 24 VAL HA A 24 VAL H 1.0 2.940 4.410 291 291 B 17 ASN HBy B 17 ASN H 1.0 2.761 4.141 292 292 A 17 ASN HBx A 17 ASN H 1.0 2.761 4.141 293 293 B 23 GLU H B 22 ASN H 1.0 2.710 4.066 294 294 A 23 GLU H A 22 ASN H 1.0 2.710 4.066 295 295 B 18 TYR H B 17 ASN H 1.0 2.871 4.307 296 296 A 18 TYR H A 17 ASN H 1.0 2.871 4.307 297 297 A 32 GLY HAy A 32 GLY H 1.0 2.300 3.450 298 298 B 32 GLY HAy B 32 GLY H 1.0 2.300 3.450 299 299 A 18 TYR HA A 18 TYR H 1.0 2.450 3.676 300 300 B 18 TYR HA B 18 TYR H 1.0 2.450 3.676 301 301 A 9 LYS H A 8 ASP H 1.0 2.707 4.061 302 302 B 9 LYS H B 8 ASP H 1.0 2.707 4.061 303 303 A 20 LEU H A 19 HIS H 1.0 2.869 4.303 304 304 B 20 LEU H B 19 HIS H 1.0 2.869 4.303 305 305 A 29 LYS H A 25 ALA H 1.0 4.433 6.649 306 306 B 29 LYS H B 25 ALA H 1.0 4.433 6.649 307 307 B 15 SER H B 16 LYS H 1.0 2.702 4.054 308 308 A 15 SER H A 16 LYS H 1.0 2.702 4.054 309 309 A 26 ARG H A 25 ALA H 1.0 2.534 3.800 310 310 B 26 ARG H B 25 ALA H 1.0 2.534 3.800 311 311 A 27 LEU H A 27 LEU HBx 1.0 2.683 4.025 312 312 B 27 LEU H B 27 LEU HBx 1.0 2.683 4.025 313 313 B 27 LEU HBx B 28 LYS H 1.0 2.220 3.330 314 314 A 27 LEU HBx A 28 LYS H 1.0 2.220 3.330 315 315 A 33 GLU HA A 33 GLU H 1.0 2.438 3.658 316 316 B 33 GLU HA B 33 GLU H 1.0 2.438 3.658 317 317 B 4 LYS H B 4 LYS HBx 1.0 2.350 3.524 318 318 A 4 LYS H A 4 LYS HBx 1.0 2.350 3.524 319 319 A 16 LYS HA A 16 LYS H 1.0 2.353 3.529 320 320 B 16 LYS HA B 16 LYS H 1.0 2.353 3.529 321 321 A 10 VAL HA A 10 VAL H 1.0 2.852 4.278 322 322 B 10 VAL HA B 10 VAL H 1.0 2.852 4.278 323 323 A 30 LEU H A 32 GLY H 1.0 3.134 4.700 324 324 B 30 LEU H B 32 GLY H 1.0 3.134 4.700 325 325 A 9 LYS HA A 10 VAL H 1.0 3.247 4.871 326 326 B 9 LYS HA B 10 VAL H 1.0 3.247 4.871 327 327 B 12 GLU H B 13 LEU H 1.0 2.802 4.204 328 328 A 12 GLU H A 13 LEU H 1.0 2.802 4.204 329 329 A 15 SER H A 16 LYS H 1.0 2.777 4.165 330 330 B 15 SER H B 16 LYS H 1.0 2.777 4.165 331 331 A 12 GLU H A 13 LEU H 1.0 2.726 4.090 332 332 B 12 GLU H B 13 LEU H 1.0 2.726 4.090 333 333 B 32 GLY H B 32 GLY HAx 1.0 2.408 3.612 334 334 A 32 GLY H A 32 GLY HAx 1.0 2.408 3.612 335 335 A 17 ASN HBy A 18 TYR H 1.0 2.978 4.468 336 336 B 17 ASN HBx B 18 TYR H 1.0 2.978 4.468 337 337 B 21 GLU H B 21 GLU HGy 1.0 2.276 3.414 338 338 A 21 GLU H A 21 GLU HGx 1.0 2.276 3.414 339 339 A 10 VAL HB A 10 VAL H 1.0 2.281 3.421 340 340 B 10 VAL HB B 10 VAL H 1.0 2.281 3.421 341 341 A 20 LEU HG A 20 LEU H 1.0 2.495 3.743 342 342 B 20 LEU HG B 20 LEU H 1.0 2.495 3.743 343 343 A 11 GLU HGy A 11 GLU H 1.0 2.394 3.590 344 344 B 11 GLU HGy B 11 GLU H 1.0 2.394 3.590 345 345 A 22 ASN H A 22 ASN HBx 1.0 2.406 3.608 346 346 B 22 ASN H B 22 ASN HBy 1.0 2.406 3.608 347 347 B 27 LEU HG B 27 LEU H 1.0 2.452 3.678 348 348 A 27 LEU HG A 27 LEU H 1.0 2.452 3.678 349 349 B 4 LYS H B 5 GLN H 1.0 2.739 4.109 350 350 A 4 LYS H A 5 GLN H 1.0 2.739 4.109 351 351 B 6 LEU H B 5 GLN H 1.0 1.929 2.893 352 352 A 6 LEU H A 5 GLN H 1.0 1.929 2.893 353 353 A 19 HIS H A 19 HIS HBy 1.0 2.172 3.258 354 354 B 19 HIS H B 19 HIS HBx 1.0 2.172 3.258 355 355 A 7 GLU H A 7 GLU HGx 1.0 2.636 3.954 356 356 B 7 GLU H B 7 GLU HGy 1.0 2.636 3.954 357 357 A 10 VAL HGy% A 10 VAL H 1.0 2.334 3.502 358 358 B 10 VAL HG21 B 10 VAL H 1.0 2.334 3.502 359 359 B 12 GLU HA B 12 GLU H 1.0 2.382 3.574 360 360 A 12 GLU HA A 12 GLU H 1.0 2.382 3.574 361 361 B 21 GLU H B 21 GLU HA 1.0 2.701 4.051 362 362 A 21 GLU H A 21 GLU HA 1.0 2.701 4.051 363 363 A 24 VAL HB A 24 VAL H 1.0 2.247 3.371 364 364 B 24 VAL HB B 24 VAL H 1.0 2.247 3.371 365 365 B 30 LEU H B 31 VAL H 1.0 2.456 3.684 366 366 A 30 LEU H A 31 VAL H 1.0 2.456 3.684 367 367 A 28 LYS H A 28 LYS HGx 1.0 2.792 4.188 368 368 B 28 LYS H B 28 LYS HGy 1.0 2.792 4.188 369 369 A 4 LYS H A 4 LYS HBy 1.0 3.413 5.119 370 370 B 4 LYS H B 4 LYS HBy 1.0 3.413 5.119 371 371 A 30 LEU H A 29 LYS H 1.0 2.050 3.076 372 372 B 30 LEU H B 29 LYS H 1.0 2.050 3.076 373 373 B 13 LEU HD11 A 14 LEU H 1.0 2.453 3.679 374 374 A 13 LEU HDx% B 14 LEU H 1.0 2.453 3.679 375 375 A 12 GLU HBx A 12 GLU H 1.0 2.102 3.154 376 376 B 12 GLU HBx B 12 GLU H 1.0 2.102 3.154 377 377 B 23 GLU HA B 23 GLU H 1.0 2.594 3.892 378 378 A 23 GLU HA A 23 GLU H 1.0 2.594 3.892 379 379 A 5 GLN H A 5 GLN HBy 1.0 2.124 3.186 380 380 B 5 GLN H B 5 GLN HBy 1.0 2.124 3.186 381 381 A 7 GLU H A 7 GLU HGy 1.0 2.223 3.335 382 382 B 7 GLU H B 7 GLU HGx 1.0 2.223 3.335 383 383 B 11 GLU H B 10 VAL H 1.0 2.829 4.243 384 384 A 11 GLU H A 10 VAL H 1.0 2.829 4.243 385 385 B 18 TYR H B 19 HIS H 1.0 2.700 4.050 386 386 A 18 TYR H A 19 HIS H 1.0 2.700 4.050 387 387 B 9 LYS HA B 9 LYS H 1.0 2.484 3.726 388 388 A 9 LYS HA A 9 LYS H 1.0 2.484 3.726 389 389 B 31 VAL HG21 B 31 VAL H 1.0 2.238 3.358 390 390 A 31 VAL HGy% A 31 VAL H 1.0 2.238 3.358 391 391 A 29 LYS H A 29 LYS HBy 1.0 2.566 3.850 392 392 B 29 LYS H B 29 LYS HBx 1.0 2.566 3.850 393 393 A 21 GLU H A 22 ASN H 1.0 2.840 4.260 394 394 B 21 GLU H B 22 ASN H 1.0 2.840 4.260 395 395 A 16 LYS HBy A 16 LYS H 1.0 2.692 4.038 396 396 B 16 LYS HBx B 16 LYS H 1.0 2.692 4.038 397 397 A 17 ASN HA A 17 ASN H 1.0 2.870 4.304 398 398 B 17 ASN HA B 17 ASN H 1.0 2.870 4.304 399 399 A 26 ARG HA A 26 ARG H 1.0 2.546 3.820 400 400 B 26 ARG HA B 26 ARG H 1.0 2.546 3.820 401 401 B 23 GLU H B 23 GLU HBx 1.0 2.197 3.295 402 402 A 23 GLU H A 23 GLU HBy 1.0 2.197 3.295 403 403 B 30 LEU HA B 30 LEU H 1.0 2.528 3.792 404 404 A 30 LEU HA A 30 LEU H 1.0 2.528 3.792 405 405 B 15 SER H B 15 SER HA 1.0 2.244 3.366 406 406 A 15 SER H A 15 SER HA 1.0 2.244 3.366 407 407 B 25 ALA H B 25 ALA HA 1.0 2.555 3.833 408 408 A 25 ALA H A 25 ALA HA 1.0 2.555 3.833 409 409 A 10 VAL H A 9 LYS H 1.0 2.730 4.094 410 410 B 10 VAL H B 9 LYS H 1.0 2.730 4.094 411 411 B 10 VAL H B 9 LYS H 1.0 2.734 4.100 412 412 A 10 VAL H A 9 LYS H 1.0 2.734 4.100 413 413 B 19 HIS HA B 19 HIS H 1.0 2.503 3.755 414 414 A 19 HIS HA A 19 HIS H 1.0 2.503 3.755 415 415 A 30 LEU HBx A 30 LEU H 1.0 2.384 3.576 416 416 B 30 LEU HBx B 30 LEU H 1.0 2.384 3.576 417 417 B 23 GLU H B 22 ASN H 1.0 2.463 4.445 418 418 A 23 GLU H A 22 ASN H 1.0 2.463 4.445 419 419 B 28 LYS HA B 28 LYS H 1.0 2.846 4.268 420 420 A 28 LYS HA A 28 LYS H 1.0 2.846 4.268 421 421 B 13 LEU HA B 13 LEU H 1.0 2.543 3.815 422 422 A 13 LEU HA A 13 LEU H 1.0 2.543 3.815 423 423 B 27 LEU HBy B 27 LEU H 1.0 2.434 3.652 424 424 A 27 LEU HBy A 27 LEU H 1.0 2.434 3.652 425 425 B 21 GLU H B 21 GLU HBx 1.0 2.276 3.414 426 426 A 21 GLU H A 21 GLU HBy 1.0 2.276 3.414 427 427 B 8 ASP HA B 8 ASP H 1.0 2.710 4.064 428 428 A 8 ASP HA A 8 ASP H 1.0 2.710 4.064 429 429 A 15 SER H A 14 LEU H 1.0 2.763 4.145 430 430 B 15 SER H B 14 LEU H 1.0 2.763 4.145 431 431 B 1 GLY H1 B 1 GLY HAx 1.0 2.530 3.794 432 432 A 1 GLY H1 A 1 GLY HAx 1.0 2.530 3.794 433 433 A 13 LEU HBy A 13 LEU H 1.0 3.039 4.559 434 434 B 13 LEU HBy B 13 LEU H 1.0 3.039 4.559 435 435 A 26 ARG HGx A 26 ARG H 1.0 2.481 3.721 436 436 B 26 ARG HGy B 26 ARG H 1.0 2.481 3.721 437 437 B 22 ASN HA B 22 ASN H 1.0 2.490 3.736 438 438 A 22 ASN HA A 22 ASN H 1.0 2.490 3.736 439 439 B 15 SER H B 17 ASN H 1.0 3.839 5.759 440 440 A 15 SER H A 17 ASN H 1.0 3.839 5.759 441 441 B 6 LEU HA B 6 LEU H 1.0 2.513 3.769 442 442 A 6 LEU HA A 6 LEU H 1.0 2.513 3.769 443 443 A 11 GLU H A 12 GLU H 1.0 2.728 4.092 444 444 B 11 GLU H B 12 GLU H 1.0 2.728 4.092 445 445 A 13 LEU HG A 13 LEU H 1.0 2.793 4.189 446 446 B 13 LEU HG B 13 LEU H 1.0 2.793 4.189 447 447 A 16 LYS H A 16 LYS HGy 1.0 3.381 5.071 448 448 B 16 LYS H B 16 LYS HGy 1.0 3.381 5.071 449 449 B 29 LYS HA B 29 LYS H 1.0 2.608 3.912 450 450 A 29 LYS HA A 29 LYS H 1.0 2.608 3.912 451 451 B 13 LEU HG B 13 LEU HBy 1.0 3.110 4.666 452 452 A 13 LEU HG A 13 LEU HBy 1.0 3.110 4.666 453 453 A 31 VAL HA A 31 VAL HGx% 1.0 3.153 4.729 454 454 B 31 VAL HA B 31 VAL HG11 1.0 3.153 4.729 455 455 A 4 LYS HDx A 4 LYS HGy 1.0 2.916 4.374 456 456 B 4 LYS HDy B 4 LYS HGx 1.0 2.916 4.374 457 457 A 3 MET HA B 3 MET HGy 1.0 3.281 4.921 458 458 B 3 MET HA A 3 MET HGy 1.0 3.281 4.921 459 459 B 30 LEU HA B 30 LEU HD11 1.0 3.072 4.608 460 460 A 30 LEU HA A 30 LEU HDx% 1.0 3.072 4.608 461 461 A 20 LEU HA A 20 LEU HDy% 1.0 2.666 4.000 462 462 B 20 LEU HA B 20 LEU HD21 1.0 2.666 4.000 463 463 A 6 LEU HA A 6 LEU HDy% 1.0 3.111 4.667 464 464 B 6 LEU HA B 6 LEU HD21 1.0 3.111 4.667 465 465 B 13 LEU HG A 13 LEU HBy 1.0 4.012 6.018 466 466 A 13 LEU HG B 13 LEU HBy 1.0 4.012 6.018 467 467 B 20 LEU HD21 B 20 LEU HBy 1.0 3.042 4.562 468 468 A 20 LEU HDy% A 20 LEU HBy 1.0 3.042 4.562 469 469 A 32 GLY H A 31 VAL HA 1.0 4.062 6.092 470 470 B 32 GLY H B 31 VAL HA 1.0 4.062 6.092 471 471 B 13 LEU HG A 13 LEU HBx 1.0 3.322 4.982 472 472 A 13 LEU HG B 13 LEU HBx 1.0 3.322 4.982 473 473 A 4 LYS HA A 4 LYS HDx 1.0 3.261 4.891 474 474 B 4 LYS HA B 4 LYS HDy 1.0 3.261 4.891 475 475 A 26 ARG HGx A 26 ARG HA 1.0 3.005 4.507 476 476 B 26 ARG HGy B 26 ARG HA 1.0 3.005 4.507 477 477 B 24 VAL HA B 24 VAL HG11 1.0 2.958 4.438 478 478 A 24 VAL HA A 24 VAL HGx% 1.0 2.958 4.438 479 479 A 17 ASN HBx B 17 ASN HA 1.0 3.482 5.224 480 480 B 17 ASN HBy A 17 ASN HA 1.0 3.482 5.224 481 481 B 6 LEU HD21 A 6 LEU HBx 1.0 3.414 5.122 482 482 B 6 LEU HBx A 6 LEU HDy% 1.0 3.414 5.122 483 483 B 24 VAL HA A 24 VAL HGy% 1.0 2.934 4.400 484 484 A 24 VAL HA B 24 VAL HG21 1.0 2.934 4.400 485 485 A 27 LEU HBy B 27 LEU HD21 1.0 3.369 5.053 486 486 B 27 LEU HBy A 27 LEU HDy% 1.0 3.369 5.053 487 487 A 18 TYR HBx A 18 TYR HE1 1.0 4.252 6.378 488 487 A 18 TYR HBx A 18 TYR HE2 1.0 4.252 6.378 489 488 B 18 TYR HBy B 18 TYR HEx 1.0 4.252 6.378 490 488 B 18 TYR HBy B 18 TYR HEy 1.0 4.252 6.378 491 489 B 14 LEU HA A 13 LEU HDy% 1.0 2.843 4.265 492 490 A 14 LEU HA B 13 LEU HD21 1.0 2.843 4.265 493 491 B 24 VAL HA A 27 LEU HBx 1.0 4.090 6.136 494 492 A 24 VAL HA B 27 LEU HBx 1.0 4.090 6.136 495 493 A 24 VAL HA A 27 LEU HBy 1.0 3.332 4.998 496 494 B 24 VAL HA B 27 LEU HBy 1.0 3.332 4.998 497 495 A 13 LEU HA A 16 LYS HBy 1.0 3.159 4.739 498 496 B 13 LEU HA B 16 LYS HBx 1.0 3.159 4.739 499 497 A 24 VAL HA A 24 VAL HGx% 1.0 2.643 3.965 500 498 B 24 VAL HA B 24 VAL HG11 1.0 2.643 3.965 501 499 B 27 LEU HBx A 27 LEU HDy% 1.0 3.946 5.918 502 500 A 27 LEU HBx B 27 LEU HD21 1.0 3.946 5.918 503 501 B 27 LEU HBy A 27 LEU HG 1.0 3.960 5.940 504 502 A 27 LEU HBy B 27 LEU HG 1.0 3.960 5.940 505 503 B 24 VAL HG11 B 24 VAL HB 1.0 2.778 4.168 506 504 A 24 VAL HGx% A 24 VAL HB 1.0 2.778 4.168 507 505 A 13 LEU HA B 13 LEU HBy 1.0 3.701 5.551 508 506 B 13 LEU HA A 13 LEU HBy 1.0 3.701 5.551 509 507 A 4 LYS HBx A 4 LYS HGy 1.0 2.821 4.231 510 508 B 4 LYS HBx B 4 LYS HGx 1.0 2.821 4.231 511 509 A 12 GLU HBx A 12 GLU HGx 1.0 2.835 4.253 512 510 B 12 GLU HBx B 12 GLU HGy 1.0 2.835 4.253 513 511 B 27 LEU HD21 B 27 LEU HA 1.0 2.584 3.876 514 512 A 27 LEU HDy% A 27 LEU HA 1.0 2.584 3.876 515 513 A 3 MET HA B 3 MET HBx 1.0 3.633 5.449 516 514 B 3 MET HA A 3 MET HBy 1.0 3.633 5.449 517 515 B 29 LYS HA B 29 LYS HBy 1.0 2.629 3.943 518 516 A 29 LYS HA A 29 LYS HBx 1.0 2.629 3.943 519 517 B 6 LEU HA B 5 GLN HBy 1.0 3.582 5.372 520 518 A 6 LEU HA A 5 GLN HBy 1.0 3.582 5.372 521 519 A 17 ASN HBx B 17 ASN HBx 1.0 3.562 5.344 522 520 B 17 ASN HBy A 17 ASN HBy 1.0 3.562 5.344 523 521 A 24 VAL HGx% A 24 VAL HB 1.0 2.685 4.027 524 522 B 24 VAL HG11 B 24 VAL HB 1.0 2.685 4.027 525 523 B 16 LYS HA B 15 SER H 1.0 4.315 6.473 526 524 A 16 LYS HA A 15 SER H 1.0 4.315 6.473 527 525 A 33 GLU HA A 33 GLU HBx 1.0 3.492 5.238 528 526 B 33 GLU HA B 33 GLU HBy 1.0 3.492 5.238 529 527 A 22 ASN HA A 25 ALA HB% 1.0 3.200 4.800 530 528 B 22 ASN HA B 25 ALA HB1 1.0 3.200 4.800 531 529 B 10 VAL HG21 A 10 VAL HA 1.0 3.083 4.625 532 530 A 10 VAL HGy% B 10 VAL HA 1.0 3.083 4.625 533 531 A 23 GLU HBx A 23 GLU HGy 1.0 3.083 4.625 534 532 B 23 GLU HBy B 23 GLU HGy 1.0 3.083 4.625 535 533 A 20 LEU HA B 20 LEU HBy 1.0 3.320 4.980 536 534 B 20 LEU HA A 20 LEU HBy 1.0 3.320 4.980 537 535 B 14 LEU HBx B 14 LEU HD21 1.0 3.285 4.927 538 536 A 14 LEU HBy A 14 LEU HDy% 1.0 3.285 4.927 539 537 B 5 GLN HA B 5 GLN HBx 1.0 2.938 4.408 540 538 A 5 GLN HA A 5 GLN HBx 1.0 2.938 4.408 541 539 A 6 LEU HBy B 6 LEU HBx 1.0 2.959 4.439 542 540 B 6 LEU HBy A 6 LEU HBx 1.0 2.959 4.439 543 541 B 16 LYS HBy B 18 TYR H 1.0 3.668 5.502 544 542 A 16 LYS HBx A 18 TYR H 1.0 3.668 5.502 545 543 A 20 LEU HA A 20 LEU HG 1.0 2.893 4.339 546 544 B 20 LEU HA B 20 LEU HG 1.0 2.893 4.339 547 545 A 6 LEU H A 2 SER HA 1.0 4.624 6.936 548 546 B 6 LEU H B 2 SER HA 1.0 4.624 6.936 549 547 A 28 LYS HA B 27 LEU HD21 1.0 2.926 4.390 550 548 B 28 LYS HA A 27 LEU HDy% 1.0 2.926 4.390 551 549 A 20 LEU HBy A 17 ASN HA 1.0 3.786 5.680 552 550 B 20 LEU HBy B 17 ASN HA 1.0 3.786 5.680 553 551 B 31 VAL HG21 B 32 GLY HAy 1.0 3.153 4.729 554 552 A 31 VAL HGy% A 32 GLY HAy 1.0 3.153 4.729 555 553 A 17 ASN HA A 19 HIS H 1.0 3.646 5.468 556 554 B 17 ASN HA B 19 HIS H 1.0 3.646 5.468 557 555 B 6 LEU HG B 2 SER HA 1.0 3.670 5.506 558 556 A 6 LEU HG A 2 SER HA 1.0 3.670 5.506 559 557 A 31 VAL HA A 31 VAL HGx% 1.0 2.935 4.403 560 558 B 31 VAL HA B 31 VAL HG11 1.0 2.935 4.403 561 559 B 13 LEU HD11 A 13 LEU HBy 1.0 3.162 4.742 562 560 A 13 LEU HDx% B 13 LEU HBy 1.0 3.162 4.742 563 561 B 27 LEU HBx B 27 LEU HD21 1.0 3.075 4.613 564 562 A 27 LEU HBx A 27 LEU HDy% 1.0 3.075 4.613 565 563 A 20 LEU HG B 20 LEU HBy 1.0 3.230 4.846 566 564 B 20 LEU HG A 20 LEU HBy 1.0 3.230 4.846 567 565 B 30 LEU HA B 29 LYS HGy 1.0 3.758 5.638 568 566 A 30 LEU HA A 29 LYS HGy 1.0 3.758 5.638 569 567 A 30 LEU HBy A 31 VAL HA 1.0 3.399 5.099 570 568 B 30 LEU HBy B 31 VAL HA 1.0 3.399 5.099 571 569 A 12 GLU HBy A 12 GLU HGx 1.0 3.067 4.601 572 570 B 12 GLU HBy B 12 GLU HGy 1.0 3.067 4.601 573 571 A 30 LEU HBy A 30 LEU HDx% 1.0 3.204 4.806 574 572 B 30 LEU HBy B 30 LEU HD11 1.0 3.204 4.806 575 573 B 6 LEU H B 5 GLN HGx 1.0 4.170 6.254 576 574 A 6 LEU H A 5 GLN HGx 1.0 4.170 6.254 577 575 A 20 LEU HBx A 20 LEU HDy% 1.0 3.389 5.083 578 576 B 20 LEU HBx B 20 LEU HD21 1.0 3.389 5.083 579 577 A 27 LEU HBy B 27 LEU HA 1.0 3.917 5.875 580 578 B 27 LEU HBy A 27 LEU HA 1.0 3.917 5.875 581 579 B 19 HIS HA B 18 TYR H 1.0 4.279 6.419 582 580 A 19 HIS HA A 18 TYR H 1.0 4.279 6.419 583 581 B 17 ASN HBx A 17 ASN HA 1.0 3.528 5.292 584 582 A 17 ASN HBy B 17 ASN HA 1.0 3.528 5.292 585 583 A 29 LYS HGy A 29 LYS HBx 1.0 2.933 4.399 586 584 B 29 LYS HGy B 29 LYS HBy 1.0 2.933 4.399 587 585 B 21 GLU HBx B 21 GLU HGx 1.0 2.775 4.163 588 586 A 21 GLU HBy A 21 GLU HGy 1.0 2.775 4.163 589 587 A 30 LEU HBy B 31 VAL HA 1.0 4.011 6.017 590 588 B 30 LEU HBy A 31 VAL HA 1.0 4.011 6.017 591 589 B 24 VAL HA B 25 ALA HA 1.0 3.866 5.800 592 590 A 24 VAL HA A 25 ALA HA 1.0 3.866 5.800 593 591 B 16 LYS HBy B 13 LEU HA 1.0 2.766 4.648 594 592 A 16 LYS HBx A 13 LEU HA 1.0 2.766 4.648 595 593 A 29 LYS HGy A 29 LYS HEy 1.0 3.883 5.825 596 594 B 29 LYS HGy B 29 LYS HEy 1.0 3.883 5.825 597 595 B 27 LEU HA B 30 LEU HD21 1.0 3.202 4.802 598 596 A 27 LEU HA A 30 LEU HDy% 1.0 3.202 4.802 599 597 A 9 LYS HA A 9 LYS HGy 1.0 3.162 4.742 600 598 B 9 LYS HA B 9 LYS HGy 1.0 3.162 4.742 601 599 A 24 VAL HA A 26 ARG HBx 1.0 4.550 6.824 602 600 B 24 VAL HA B 26 ARG HBx 1.0 4.550 6.824 603 601 B 6 LEU HD11 B 6 LEU HG 1.0 2.780 4.170 604 602 A 6 LEU HDx% A 6 LEU HG 1.0 2.780 4.170 605 603 A 13 LEU HDx% A 13 LEU HBy 1.0 3.058 4.588 606 604 B 13 LEU HD11 B 13 LEU HBy 1.0 3.058 4.588 607 605 A 20 LEU HDy% A 20 LEU HBy 1.0 2.618 3.926 608 606 B 20 LEU HD21 B 20 LEU HBy 1.0 2.618 3.926 609 607 A 16 LYS HBx A 16 LYS HDy 1.0 3.269 4.903 610 608 B 16 LYS HBy B 16 LYS HDx 1.0 3.269 4.903 611 609 A 23 GLU HA A 22 ASN HBy 1.0 3.319 4.979 612 610 B 23 GLU HA B 22 ASN HBx 1.0 3.319 4.979 613 611 B 11 GLU HA B 12 GLU HGy 1.0 4.285 6.427 614 612 A 11 GLU HA A 12 GLU HGx 1.0 4.285 6.427 615 613 B 6 LEU HA B 6 LEU HD21 1.0 2.790 4.184 616 614 A 6 LEU HA A 6 LEU HDy% 1.0 2.790 4.184 617 615 B 12 GLU HGy B 8 ASP HBx 1.0 4.373 6.559 618 616 A 12 GLU HGx A 8 ASP HBy 1.0 4.373 6.559 619 617 B 11 GLU HA B 11 GLU HBx 1.0 2.978 4.466 620 618 A 11 GLU HA A 11 GLU HBy 1.0 2.978 4.466 621 619 A 11 GLU HGy A 11 GLU HBx 1.0 2.678 4.018 622 620 B 11 GLU HGy B 11 GLU HBy 1.0 2.678 4.018 623 621 B 30 LEU HA B 29 LYS HBy 1.0 3.314 4.972 624 622 A 30 LEU HA A 29 LYS HBx 1.0 3.314 4.972 625 623 B 27 LEU HBy A 27 LEU HDy% 1.0 3.378 5.068 626 624 A 27 LEU HBy B 27 LEU HD21 1.0 3.378 5.068 627 625 B 6 LEU HBy A 6 LEU HG 1.0 3.301 4.951 628 626 A 6 LEU HBy B 6 LEU HG 1.0 3.301 4.951 629 627 A 29 LYS HA A 29 LYS HBy 1.0 2.730 4.096 630 628 B 29 LYS HA B 29 LYS HBx 1.0 2.730 4.096 631 629 A 8 ASP HA A 12 GLU H 1.0 3.530 5.294 632 630 B 8 ASP HA B 12 GLU H 1.0 3.530 5.294 633 631 A 16 LYS HBx A 16 LYS HGx 1.0 2.950 4.424 634 632 B 16 LYS HBy B 16 LYS HGx 1.0 2.950 4.424 635 633 A 31 VAL HGy% A 32 GLY HAx 1.0 3.280 4.920 636 634 B 31 VAL HG21 B 32 GLY HAx 1.0 3.280 4.920 637 635 B 10 VAL HA B 12 GLU HBx 1.0 4.024 6.036 638 636 A 10 VAL HA A 12 GLU HBx 1.0 4.024 6.036 639 637 A 6 LEU HA B 6 LEU HBy 1.0 3.808 5.712 640 638 B 6 LEU HA A 6 LEU HBy 1.0 3.808 5.712 641 639 A 7 GLU HA A 7 GLU HBy 1.0 2.882 4.324 642 640 B 7 GLU HA B 7 GLU HBx 1.0 2.882 4.324 643 641 A 20 LEU HG A 17 ASN HA 1.0 3.041 4.561 644 642 B 20 LEU HG B 17 ASN HA 1.0 3.041 4.561 645 643 A 25 ALA HA A 28 LYS HBy 1.0 3.529 5.293 646 644 B 25 ALA HA B 28 LYS HBy 1.0 3.529 5.293 647 645 B 19 HIS HBx B 19 HIS HE2 1.0 4.646 6.970 648 646 A 19 HIS HBy A 19 HIS HE2 1.0 4.646 6.970 649 647 A 28 LYS HA A 29 LYS HA 1.0 3.456 5.184 650 648 B 28 LYS HA B 29 LYS HA 1.0 3.456 5.184 651 649 B 23 GLU HA B 22 ASN HBy 1.0 3.566 5.350 652 650 A 23 GLU HA A 22 ASN HBx 1.0 3.566 5.350 653 651 B 12 GLU HA B 16 LYS HBx 1.0 3.604 5.406 654 652 A 12 GLU HA A 16 LYS HBy 1.0 3.604 5.406 655 653 B 26 ARG HBx B 27 LEU HA 1.0 3.695 5.543 656 654 A 26 ARG HBx A 27 LEU HA 1.0 3.695 5.543 657 655 B 27 LEU HA B 26 ARG HBy 1.0 3.608 5.412 658 656 A 27 LEU HA A 26 ARG HBy 1.0 3.608 5.412 659 657 A 23 GLU HA A 26 ARG HBy 1.0 3.404 5.106 660 658 B 23 GLU HA B 26 ARG HBy 1.0 3.404 5.106 661 659 B 24 VAL HG11 B 28 LYS HGy 1.0 3.216 4.824 662 660 A 24 VAL HGx% A 28 LYS HGx 1.0 3.216 4.824 663 661 B 10 VAL HG11 B 7 GLU HA 1.0 2.797 4.195 664 662 A 10 VAL HGx% A 7 GLU HA 1.0 2.797 4.195 665 663 B 13 LEU HA B 16 LYS HGx 1.0 3.850 5.776 666 664 A 13 LEU HA A 16 LYS HGx 1.0 3.850 5.776 667 665 A 14 LEU HBx A 15 SER HA 1.0 3.615 5.423 668 666 B 14 LEU HBy B 15 SER HA 1.0 3.615 5.423 669 667 B 6 LEU HBy B 6 LEU HG 1.0 2.698 4.046 670 668 A 6 LEU HBy A 6 LEU HG 1.0 2.698 4.046 671 669 A 29 LYS HA A 28 LYS HBy 1.0 3.494 5.240 672 670 B 29 LYS HA B 28 LYS HBy 1.0 3.494 5.240 673 671 A 27 LEU HG A 26 ARG HBy 1.0 4.069 6.103 674 672 B 27 LEU HG B 26 ARG HBy 1.0 4.069 6.103 675 673 B 11 GLU HA B 12 GLU HGy 1.0 4.237 6.355 676 674 A 11 GLU HA A 12 GLU HGx 1.0 4.237 6.355 677 675 A 17 ASN HA A 17 ASN HD22 1.0 3.686 5.530 678 676 B 17 ASN HA B 17 ASN HD2y 1.0 3.686 5.530 679 677 B 17 ASN HBy B 17 ASN HD2y 1.0 3.290 4.934 680 678 A 17 ASN HBx A 17 ASN HD22 1.0 3.290 4.934 681 679 B 17 ASN HBx B 17 ASN HD2y 1.0 3.470 5.204 682 680 A 17 ASN HBy A 17 ASN HD22 1.0 3.470 5.204 683 681 A 5 GLN HE21 A 5 GLN HE22 1.0 2.187 3.281 684 682 B 5 GLN HE2x B 5 GLN HE2y 1.0 2.187 3.281 685 683 A 5 GLN HGx A 5 GLN HE21 1.0 3.464 5.196 686 684 B 5 GLN HGx B 5 GLN HE2x 1.0 3.464 5.196 687 685 A 22 ASN HD21 A 22 ASN HD22 1.0 2.176 3.264 688 686 B 22 ASN HD2x B 22 ASN HD2y 1.0 2.176 3.264 689 687 B 22 ASN HA B 22 ASN HD2y 1.0 4.083 6.125 690 688 A 22 ASN HA A 22 ASN HD22 1.0 4.083 6.125 691 689 B 22 ASN HA B 22 ASN HD2x 1.0 4.217 6.325 692 690 A 22 ASN HA A 22 ASN HD21 1.0 4.217 6.325 693 691 B 22 ASN HBy B 22 ASN HD2y 1.0 3.079 4.619 694 692 A 22 ASN HBx A 22 ASN HD22 1.0 3.079 4.619 695 693 B 22 ASN HBy B 22 ASN HD2x 1.0 3.547 5.321 696 694 A 22 ASN HBx A 22 ASN HD21 1.0 3.547 5.321 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 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 31 VAL H A 27 LEU O 1.0 1.5 2.5 2 2 A 30 LEU H A 26 ARG O 1.0 1.5 2.5 3 3 A 29 LYS H A 25 ALA O 1.0 1.5 2.5 4 4 A 28 LYS H A 24 VAL O 1.0 1.5 2.5 5 5 A 27 LEU H A 23 GLU O 1.0 1.5 2.5 6 6 A 26 ARG H A 22 ASN O 1.0 1.5 2.5 7 7 A 25 ALA H A 21 GLU O 1.0 1.5 2.5 8 8 A 24 VAL H A 20 LEU O 1.0 1.5 2.5 9 9 A 23 GLU H A 19 HIS O 1.0 1.5 2.5 10 10 A 22 ASN H A 18 TYR O 1.0 1.5 2.5 11 11 A 21 GLU H A 17 ASN O 1.0 1.5 2.5 12 12 A 20 LEU H A 16 LYS O 1.0 1.5 2.5 13 13 A 19 HIS H A 15 SER O 1.0 1.5 2.5 14 14 A 18 TYR H A 14 LEU O 1.0 1.5 2.5 15 15 A 17 ASN H A 13 LEU O 1.0 1.5 2.5 16 16 A 16 LYS H A 12 GLU O 1.0 1.5 2.5 17 17 A 15 SER H A 11 GLU O 1.0 1.5 2.5 18 18 A 14 LEU H A 10 VAL O 1.0 1.5 2.5 19 19 A 13 LEU H A 9 LYS O 1.0 1.5 2.5 20 20 A 12 GLU H A 8 ASP O 1.0 1.5 2.5 21 21 A 11 GLU H A 7 GLU O 1.0 1.5 2.5 22 22 A 10 VAL H A 6 LEU O 1.0 1.5 2.5 23 23 A 9 LYS H A 5 GLN O 1.0 1.5 2.5 24 24 A 8 ASP H A 4 LYS O 1.0 1.5 2.5 25 25 A 7 GLU H A 3 MET O 1.0 1.5 2.5 26 26 A 6 LEU H A 2 SER O 1.0 1.5 2.5 27 27 A 5 GLN H A 1 GLY O 1.0 1.5 2.5 28 28 B 31 VAL H B 27 LEU O 1.0 1.5 2.5 29 29 B 30 LEU H B 26 ARG O 1.0 1.5 2.5 30 30 B 29 LYS H B 25 ALA O 1.0 1.5 2.5 31 31 B 28 LYS H B 24 VAL O 1.0 1.5 2.5 32 32 B 27 LEU H B 23 GLU O 1.0 1.5 2.5 33 33 B 26 ARG H B 22 ASN O 1.0 1.5 2.5 34 34 B 25 ALA H B 21 GLU O 1.0 1.5 2.5 35 35 B 24 VAL H B 20 LEU O 1.0 1.5 2.5 36 36 B 23 GLU H B 19 HIS O 1.0 1.5 2.5 37 37 B 22 ASN H B 18 TYR O 1.0 1.5 2.5 38 38 B 21 GLU H B 17 ASN O 1.0 1.5 2.5 39 39 B 20 LEU H B 16 LYS O 1.0 1.5 2.5 40 40 B 19 HIS H B 15 SER O 1.0 1.5 2.5 41 41 B 18 TYR H B 14 LEU O 1.0 1.5 2.5 42 42 B 17 ASN H B 13 LEU O 1.0 1.5 2.5 43 43 B 16 LYS H B 12 GLU O 1.0 1.5 2.5 44 44 B 15 SER H B 11 GLU O 1.0 1.5 2.5 45 45 B 14 LEU H B 10 VAL O 1.0 1.5 2.5 46 46 B 13 LEU H B 9 LYS O 1.0 1.5 2.5 47 47 B 12 GLU H B 8 ASP O 1.0 1.5 2.5 48 48 B 11 GLU H B 7 GLU O 1.0 1.5 2.5 49 49 B 10 VAL H B 6 LEU O 1.0 1.5 2.5 50 50 B 9 LYS H B 5 GLN O 1.0 1.5 2.5 51 51 B 8 ASP H B 4 LYS O 1.0 1.5 2.5 52 52 B 7 GLU H B 3 MET O 1.0 1.5 2.5 53 53 B 6 LEU H B 2 SER O 1.0 1.5 2.5 54 54 B 5 GLN H B 1 GLY O 1.0 1.5 2.5 55 55 A 27 LEU O A 31 VAL N 1.0 2.5 3.5 56 56 A 26 ARG O A 30 LEU N 1.0 2.5 3.5 57 57 A 29 LYS H A 25 ALA O 1.0 2.5 3.5 58 58 A 24 VAL O A 28 LYS N 1.0 2.5 3.5 59 59 A 23 GLU O A 27 LEU N 1.0 2.5 3.5 60 60 A 22 ASN O A 26 ARG N 1.0 2.5 3.5 61 61 A 21 GLU O A 25 ALA N 1.0 2.5 3.5 62 62 A 20 LEU O A 24 VAL N 1.0 2.5 3.5 63 63 A 19 HIS O A 23 GLU N 1.0 2.5 3.5 64 64 A 18 TYR O A 22 ASN N 1.0 2.5 3.5 65 65 A 17 ASN O A 21 GLU N 1.0 2.5 3.5 66 66 A 16 LYS O A 20 LEU N 1.0 2.5 3.5 67 67 A 15 SER O A 19 HIS N 1.0 2.5 3.5 68 68 A 14 LEU O A 18 TYR N 1.0 2.5 3.5 69 69 A 13 LEU O A 17 ASN N 1.0 2.5 3.5 70 70 A 12 GLU O A 16 LYS N 1.0 2.5 3.5 71 71 A 11 GLU O A 15 SER N 1.0 2.5 3.5 72 72 A 10 VAL O A 14 LEU N 1.0 2.5 3.5 73 73 A 9 LYS O A 13 LEU N 1.0 2.5 3.5 74 74 A 8 ASP O A 12 GLU N 1.0 2.5 3.5 75 75 A 7 GLU O A 11 GLU N 1.0 2.5 3.5 76 76 A 6 LEU O A 10 VAL N 1.0 2.5 3.5 77 77 A 5 GLN O A 9 LYS N 1.0 2.5 3.5 78 78 A 4 LYS O A 8 ASP N 1.0 2.5 3.5 79 79 A 3 MET O A 7 GLU N 1.0 2.5 3.5 80 80 A 2 SER O A 6 LEU N 1.0 2.5 3.5 81 81 A 1 GLY O A 5 GLN N 1.0 2.5 3.5 82 82 B 27 LEU O B 31 VAL N 1.0 2.5 3.5 83 83 B 26 ARG O B 30 LEU N 1.0 2.5 3.5 84 84 B 25 ALA O B 29 LYS N 1.0 2.5 3.5 85 85 B 24 VAL O B 28 LYS N 1.0 2.5 3.5 86 86 B 23 GLU O B 27 LEU N 1.0 2.5 3.5 87 87 B 22 ASN O B 26 ARG N 1.0 2.5 3.5 88 88 B 21 GLU O B 25 ALA N 1.0 2.5 3.5 89 89 B 20 LEU O B 24 VAL N 1.0 2.5 3.5 90 90 B 19 HIS O B 23 GLU N 1.0 2.5 3.5 91 91 B 18 TYR O B 22 ASN N 1.0 2.5 3.5 92 92 B 17 ASN O B 21 GLU N 1.0 2.5 3.5 93 93 B 16 LYS O B 20 LEU N 1.0 2.5 3.5 94 94 B 15 SER O B 19 HIS N 1.0 2.5 3.5 95 95 B 14 LEU O B 18 TYR N 1.0 2.5 3.5 96 96 B 13 LEU O B 17 ASN N 1.0 2.5 3.5 97 97 B 12 GLU O B 16 LYS N 1.0 2.5 3.5 98 98 B 11 GLU O B 15 SER N 1.0 2.5 3.5 99 99 B 10 VAL O B 14 LEU N 1.0 2.5 3.5 100 100 B 9 LYS O B 13 LEU N 1.0 2.5 3.5 101 101 B 8 ASP O B 12 GLU N 1.0 2.5 3.5 102 102 B 7 GLU O B 11 GLU N 1.0 2.5 3.5 103 103 B 6 LEU O B 10 VAL N 1.0 2.5 3.5 104 104 B 5 GLN O B 9 LYS N 1.0 2.5 3.5 105 105 B 4 LYS O B 8 ASP N 1.0 2.5 3.5 106 106 B 3 MET O B 7 GLU N 1.0 2.5 3.5 107 107 B 2 SER O B 6 LEU N 1.0 2.5 3.5 108 108 B 1 GLY O B 5 GLN N 1.0 2.5 3.5 109 109 A 8 ASP OD2 A 5 GLN NE2 1.0 2.5 3.5 110 110 B 8 ASP OD2 B 5 GLN NE2 1.0 2.5 3.5 111 111 A 18 TYR O A 22 ASN ND2 1.0 2.5 3.5 112 112 B 18 TYR O B 22 ASN ND2 1.0 2.5 3.5 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 SER C A 3 MET N A 3 MET CA A 3 MET C 1.0 -98.960 -28.960 PHI 2 2 A 3 MET N A 3 MET CA A 3 MET C A 4 LYS N 1.0 -62.619 7.381 PSI 3 3 A 3 MET C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -103.916 -33.916 PHI 4 4 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 GLN N 1.0 -62.932 7.068 PSI 5 5 A 4 LYS C A 5 GLN N A 5 GLN CA A 5 GLN C 1.0 -104.616 -34.616 PHI 6 6 A 5 GLN N A 5 GLN CA A 5 GLN C A 6 LEU N 1.0 -67.008 2.992 PSI 7 7 A 5 GLN C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -103.460 -33.460 PHI 8 8 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 GLU N 1.0 -76.468 -6.468 PSI 9 9 A 6 LEU C A 7 GLU N A 7 GLU CA A 7 GLU C 1.0 -98.059 -28.059 PHI 10 10 A 7 GLU N A 7 GLU CA A 7 GLU C A 8 ASP N 1.0 -73.631 -3.631 PSI 11 11 A 7 GLU C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -101.356 -31.356 PHI 12 12 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 LYS N 1.0 -71.042 -1.042 PSI 13 13 A 8 ASP C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -104.828 -34.828 PHI 14 14 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 VAL N 1.0 -70.967 -0.967 PSI 15 15 A 9 LYS C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -98.771 -28.771 PHI 16 16 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 GLU N 1.0 -76.570 -6.570 PSI 17 17 A 10 VAL C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -100.098 -30.098 PHI 18 18 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 GLU N 1.0 -72.414 -2.414 PSI 19 19 A 11 GLU C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -101.555 -31.555 PHI 20 20 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 LEU N 1.0 -74.543 -4.543 PSI 21 21 A 12 GLU C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -100.010 -30.010 PHI 22 22 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 LEU N 1.0 -79.178 -9.178 PSI 23 23 A 13 LEU C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -101.882 -31.882 PHI 24 24 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 SER N 1.0 -73.781 -3.781 PSI 25 25 A 14 LEU C A 15 SER N A 15 SER CA A 15 SER C 1.0 -102.773 -32.773 PHI 26 26 A 15 SER N A 15 SER CA A 15 SER C A 16 LYS N 1.0 -70.972 -0.972 PSI 27 27 A 15 SER C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -102.758 -32.758 PHI 28 28 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 ASN N 1.0 -72.470 -2.470 PSI 29 29 A 16 LYS C A 17 ASN N A 17 ASN CA A 17 ASN C 1.0 -101.445 -31.445 PHI 30 30 A 17 ASN N A 17 ASN CA A 17 ASN C A 18 TYR N 1.0 -72.250 -2.250 PSI 31 31 A 17 ASN C A 18 TYR N A 18 TYR CA A 18 TYR C 1.0 -100.582 -30.582 PHI 32 32 A 18 TYR N A 18 TYR CA A 18 TYR C A 19 HIS N 1.0 -76.388 -6.388 PSI 33 33 A 18 TYR C A 19 HIS N A 19 HIS CA A 19 HIS C 1.0 -102.910 -32.910 PHI 34 34 A 19 HIS N A 19 HIS CA A 19 HIS C A 20 LEU N 1.0 -73.849 -3.849 PSI 35 35 A 19 HIS C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -100.968 -30.968 PHI 36 36 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 GLU N 1.0 -76.413 -6.413 PSI 37 37 A 20 LEU C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -100.403 -30.403 PHI 38 38 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 ASN N 1.0 -70.846 -0.846 PSI 39 39 A 21 GLU C A 22 ASN N A 22 ASN CA A 22 ASN C 1.0 -103.060 -33.060 PHI 40 40 A 22 ASN N A 22 ASN CA A 22 ASN C A 23 GLU N 1.0 -72.488 -2.488 PSI 41 41 A 22 ASN C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -104.149 -34.149 PHI 42 42 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 VAL N 1.0 -71.705 -1.705 PSI 43 43 A 23 GLU C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -99.463 -29.463 PHI 44 44 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 ALA N 1.0 -79.151 -9.151 PSI 45 45 A 24 VAL C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -101.021 -31.021 PHI 46 46 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 ARG N 1.0 -72.560 -2.560 PSI 47 47 A 25 ALA C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -102.194 -32.194 PHI 48 48 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 LEU N 1.0 -76.431 -6.431 PSI 49 49 A 26 ARG C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -100.449 -30.449 PHI 50 50 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 LYS N 1.0 -76.339 -6.339 PSI 51 51 A 27 LEU C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -97.743 -27.743 PHI 52 52 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 LYS N 1.0 -72.158 -2.158 PSI 53 53 A 28 LYS C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -102.753 -32.753 PHI 54 54 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 LEU N 1.0 -66.659 3.341 PSI 55 55 A 29 LYS C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -112.310 -42.310 PHI 56 56 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 VAL N 1.0 -61.650 8.350 PSI 57 57 A 30 LEU C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -132.019 -62.019 PHI 58 58 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 GLY N 1.0 -35.159 34.841 PSI 59 59 B 2 SER C B 3 MET N B 3 MET CA B 3 MET C 1.0 -98.960 -28.960 PHI 60 60 B 3 MET N B 3 MET CA B 3 MET C B 4 LYS N 1.0 -62.619 7.381 PSI 61 61 B 3 MET C B 4 LYS N B 4 LYS CA B 4 LYS C 1.0 -103.916 -33.916 PHI 62 62 B 4 LYS N B 4 LYS CA B 4 LYS C B 5 GLN N 1.0 -62.932 7.068 PSI 63 63 B 4 LYS C B 5 GLN N B 5 GLN CA B 5 GLN C 1.0 -104.616 -34.616 PHI 64 64 B 5 GLN N B 5 GLN CA B 5 GLN C B 6 LEU N 1.0 -67.008 2.992 PSI 65 65 B 5 GLN C B 6 LEU N B 6 LEU CA B 6 LEU C 1.0 -103.460 -33.460 PHI 66 66 B 6 LEU N B 6 LEU CA B 6 LEU C B 7 GLU N 1.0 -76.468 -6.468 PSI 67 67 B 6 LEU C B 7 GLU N B 7 GLU CA B 7 GLU C 1.0 -98.059 -28.059 PHI 68 68 B 7 GLU N B 7 GLU CA B 7 GLU C B 8 ASP N 1.0 -73.631 -3.631 PSI 69 69 B 7 GLU C B 8 ASP N B 8 ASP CA B 8 ASP C 1.0 -101.356 -31.356 PHI 70 70 B 8 ASP N B 8 ASP CA B 8 ASP C B 9 LYS N 1.0 -71.042 -1.042 PSI 71 71 B 8 ASP C B 9 LYS N B 9 LYS CA B 9 LYS C 1.0 -104.828 -34.828 PHI 72 72 B 9 LYS N B 9 LYS CA B 9 LYS C B 10 VAL N 1.0 -70.967 -0.967 PSI 73 73 B 9 LYS C B 10 VAL N B 10 VAL CA B 10 VAL C 1.0 -98.771 -28.771 PHI 74 74 B 10 VAL N B 10 VAL CA B 10 VAL C B 11 GLU N 1.0 -76.570 -6.570 PSI 75 75 B 10 VAL C B 11 GLU N B 11 GLU CA B 11 GLU C 1.0 -100.098 -30.098 PHI 76 76 B 11 GLU N B 11 GLU CA B 11 GLU C B 12 GLU N 1.0 -72.414 -2.414 PSI 77 77 B 11 GLU C B 12 GLU N B 12 GLU CA B 12 GLU C 1.0 -101.555 -31.555 PHI 78 78 B 12 GLU N B 12 GLU CA B 12 GLU C B 13 LEU N 1.0 -74.543 -4.543 PSI 79 79 B 12 GLU C B 13 LEU N B 13 LEU CA B 13 LEU C 1.0 -100.010 -30.010 PHI 80 80 B 13 LEU N B 13 LEU CA B 13 LEU C B 14 LEU N 1.0 -79.178 -9.178 PSI 81 81 B 13 LEU C B 14 LEU N B 14 LEU CA B 14 LEU C 1.0 -101.882 -31.882 PHI 82 82 B 14 LEU N B 14 LEU CA B 14 LEU C B 15 SER N 1.0 -73.781 -3.781 PSI 83 83 B 14 LEU C B 15 SER N B 15 SER CA B 15 SER C 1.0 -102.773 -32.773 PHI 84 84 B 15 SER N B 15 SER CA B 15 SER C B 16 LYS N 1.0 -70.972 -0.972 PSI 85 85 B 15 SER C B 16 LYS N B 16 LYS CA B 16 LYS C 1.0 -102.758 -32.758 PHI 86 86 B 16 LYS N B 16 LYS CA B 16 LYS C B 17 ASN N 1.0 -72.470 -2.470 PSI 87 87 B 16 LYS C B 17 ASN N B 17 ASN CA B 17 ASN C 1.0 -101.445 -31.445 PHI 88 88 B 17 ASN N B 17 ASN CA B 17 ASN C B 18 TYR N 1.0 -72.250 -2.250 PSI 89 89 B 17 ASN C B 18 TYR N B 18 TYR CA B 18 TYR C 1.0 -100.582 -30.582 PHI 90 90 B 18 TYR N B 18 TYR CA B 18 TYR C B 19 HIS N 1.0 -76.388 -6.388 PSI 91 91 B 18 TYR C B 19 HIS N B 19 HIS CA B 19 HIS C 1.0 -102.910 -32.910 PHI 92 92 B 19 HIS N B 19 HIS CA B 19 HIS C B 20 LEU N 1.0 -73.849 -3.849 PSI 93 93 B 19 HIS C B 20 LEU N B 20 LEU CA B 20 LEU C 1.0 -100.968 -30.968 PHI 94 94 B 20 LEU N B 20 LEU CA B 20 LEU C B 21 GLU N 1.0 -76.413 -6.413 PSI 95 95 B 20 LEU C B 21 GLU N B 21 GLU CA B 21 GLU C 1.0 -100.403 -30.403 PHI 96 96 B 21 GLU N B 21 GLU CA B 21 GLU C B 22 ASN N 1.0 -70.846 -0.846 PSI 97 97 B 21 GLU C B 22 ASN N B 22 ASN CA B 22 ASN C 1.0 -103.060 -33.060 PHI 98 98 B 22 ASN N B 22 ASN CA B 22 ASN C B 23 GLU N 1.0 -72.488 -2.488 PSI 99 99 B 22 ASN C B 23 GLU N B 23 GLU CA B 23 GLU C 1.0 -104.149 -34.149 PHI 100 100 B 23 GLU N B 23 GLU CA B 23 GLU C B 24 VAL N 1.0 -71.705 -1.705 PSI 101 101 B 23 GLU C B 24 VAL N B 24 VAL CA B 24 VAL C 1.0 -99.463 -29.463 PHI 102 102 B 24 VAL N B 24 VAL CA B 24 VAL C B 25 ALA N 1.0 -79.151 -9.151 PSI 103 103 B 24 VAL C B 25 ALA N B 25 ALA CA B 25 ALA C 1.0 -101.021 -31.021 PHI 104 104 B 25 ALA N B 25 ALA CA B 25 ALA C B 26 ARG N 1.0 -72.560 -2.560 PSI 105 105 B 25 ALA C B 26 ARG N B 26 ARG CA B 26 ARG C 1.0 -102.194 -32.194 PHI 106 106 B 26 ARG N B 26 ARG CA B 26 ARG C B 27 LEU N 1.0 -76.431 -6.431 PSI 107 107 B 26 ARG C B 27 LEU N B 27 LEU CA B 27 LEU C 1.0 -100.449 -30.449 PHI 108 108 B 27 LEU N B 27 LEU CA B 27 LEU C B 28 LYS N 1.0 -76.339 -6.339 PSI 109 109 B 27 LEU C B 28 LYS N B 28 LYS CA B 28 LYS C 1.0 -97.743 -27.743 PHI 110 110 B 28 LYS N B 28 LYS CA B 28 LYS C B 29 LYS N 1.0 -72.158 -2.158 PSI 111 111 B 28 LYS C B 29 LYS N B 29 LYS CA B 29 LYS C 1.0 -102.753 -32.753 PHI 112 112 B 29 LYS N B 29 LYS CA B 29 LYS C B 30 LEU N 1.0 -66.659 3.341 PSI 113 113 B 29 LYS C B 30 LEU N B 30 LEU CA B 30 LEU C 1.0 -112.310 -42.310 PHI 114 114 B 30 LEU N B 30 LEU CA B 30 LEU C B 31 VAL N 1.0 -61.650 8.350 PSI 115 115 B 30 LEU C B 31 VAL N B 31 VAL CA B 31 VAL C 1.0 -132.019 -62.019 PHI 116 116 B 31 VAL N B 31 VAL CA B 31 VAL C B 32 GLY N 1.0 -35.159 34.841 PSI 117 117 A 8 ASP N A 8 ASP CA A 8 ASP CB A 8 ASP CG 1.0 -108.700 -38.700 CHI1 118 118 A 10 VAL N A 10 VAL CA A 10 VAL CB A 10 VAL CG1 1.0 139.400 209.400 CHI1 119 119 A 13 LEU N A 13 LEU CA A 13 LEU CB A 13 LEU CG 1.0 -105.700 -35.700 CHI1 120 120 A 22 ASN N A 22 ASN CA A 22 ASN CB A 22 ASN CG 1.0 -109.300 -39.300 CHI1 121 121 A 24 VAL N A 24 VAL CA A 24 VAL CB A 24 VAL CG1 1.0 139.700 209.700 CHI1 122 122 A 30 LEU N A 30 LEU CA A 30 LEU CB A 30 LEU CG 1.0 -104.400 -34.400 CHI1 123 123 B 8 ASP N B 8 ASP CA B 8 ASP CB B 8 ASP CG 1.0 -108.700 -38.700 CHI1 124 124 B 10 VAL N B 10 VAL CA B 10 VAL CB B 10 VAL CG1 1.0 139.400 209.400 CHI1 125 125 B 13 LEU N B 13 LEU CA B 13 LEU CB B 13 LEU CG 1.0 -105.700 -35.700 CHI1 126 126 B 22 ASN N B 22 ASN CA B 22 ASN CB B 22 ASN CG 1.0 -109.300 -39.300 CHI1 127 127 B 24 VAL N B 24 VAL CA B 24 VAL CB B 24 VAL CG1 1.0 139.700 209.700 CHI1 128 128 B 30 LEU N B 30 LEU CA B 30 LEU CB B 30 LEU CG 1.0 -104.400 -34.400 CHI1 stop_ save_