data_nef_c30313_5wah 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5WAH 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 VAL middle . . 3 A 3 GLU middle . . 4 A 4 LYS middle . . 5 A 5 THR middle . . 6 A 6 ALA middle . . 7 A 7 GLY middle . false 8 A 8 GLU middle . . 9 A 9 THR middle . . 10 A 10 SER middle . . 11 A 11 ALA middle . . 12 A 12 THR middle . . 13 A 13 ASP middle . . 14 A 14 THR middle . . 15 A 15 GLY middle . false 16 A 16 LYS middle . . 17 A 17 ARG middle . . 18 A 18 GLU middle . . 19 A 19 LYS middle . . 20 A 20 GLN middle . . 21 A 21 LEU middle . . 22 A 22 GLN middle . . 23 A 23 GLN middle . . 24 A 24 TRP middle . . 25 A 25 LYS middle . . 26 A 26 ASN middle . . 27 A 27 ASN middle . . 28 A 28 LEU middle . . 29 A 29 LYS middle . . 30 A 30 ASN middle . . 31 A 31 ASP middle . . 32 A 32 VAL middle . . 33 A 33 ASP middle . . 34 A 34 ASN middle . . 35 A 35 THR middle . . 36 A 36 ILE middle . . 37 A 37 LEU middle . . 38 A 38 SER middle . . 39 A 39 HIS middle . . 40 A 40 GLU middle . . 41 A 41 GLN middle . . 42 A 42 LYS middle . . 43 A 43 ASN middle . . 44 A 44 GLU middle . . 45 A 45 PHE middle . . 46 A 46 LYS middle . . 47 A 47 THR middle . . 48 A 48 LYS middle . . 49 A 49 ILE middle . . 50 A 50 ASP middle . . 51 A 51 GLU middle . . 52 A 52 THR middle . . 53 A 53 ASN middle . . 54 A 54 ASP middle . . 55 A 55 SER middle . . 56 A 56 ASP middle . . 57 A 57 ALA middle . . 58 A 58 LEU middle . . 59 A 59 LEU middle . . 60 A 60 GLU middle . . 61 A 61 LEU middle . . 62 A 62 GLU middle . . 63 A 63 ASN middle . . 64 A 64 GLN middle . . 65 A 65 PHE middle . . 66 A 66 ASN middle . . 67 A 67 GLU middle . . 68 A 68 THR middle . . 69 A 69 ASN middle . . 70 A 70 ARG middle . . 71 A 71 LEU middle . . 72 A 72 LEU middle . . 73 A 73 HIS middle . . 74 A 74 ILE middle . . 75 A 75 LYS middle . . 76 A 76 GLN middle . . 77 A 77 HIS middle . . 78 A 78 GLU middle . . 79 A 79 GLU middle . . 80 A 80 VAL middle . . 81 A 81 GLU middle . . 82 A 82 LYS middle . . 83 A 83 ASP middle . . 84 A 84 LYS middle . . 85 A 85 LYS middle . . 86 A 86 ALA middle . . 87 A 87 LYS middle . . 88 A 88 GLN middle . . 89 A 89 GLN middle . . 90 A 90 LYS middle . . 91 A 91 THR middle . . 92 A 92 LEU middle . . 93 A 93 LYS middle . . 94 A 94 GLN middle . . 95 A 95 SER middle . . 96 A 96 ASP middle . . 97 A 97 THR middle . . 98 A 98 LYS middle . . 99 A 99 VAL 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 2 VAL HA H 1 4.166 0.020 A 2 VAL HB H 1 2.099 0.020 A 2 VAL HGx% H 1 0.932 0.020 A 2 VAL HGy% H 1 0.939 0.020 A 2 VAL C C 13 176.300 0.400 A 2 VAL CA C 13 62.242 0.400 A 2 VAL CB C 13 32.474 0.400 A 2 VAL CGx C 13 20.043 0.400 A 2 VAL CGy C 13 20.922 0.400 A 3 GLU H H 1 8.661 0.020 A 3 GLU HA H 1 4.309 0.020 A 3 GLU HBx H 1 1.931 0.020 A 3 GLU HBy H 1 2.038 0.020 A 3 GLU HGx H 1 2.254 0.020 A 3 GLU HGy H 1 2.297 0.020 A 3 GLU C C 13 176.400 0.400 A 3 GLU CA C 13 56.380 0.400 A 3 GLU CB C 13 29.928 0.400 A 3 GLU CG C 13 35.892 0.400 A 3 GLU N N 15 124.716 0.400 A 4 LYS H H 1 8.461 0.020 A 4 LYS HA H 1 4.380 0.020 A 4 LYS HBx H 1 1.769 0.020 A 4 LYS HBy H 1 1.849 0.020 A 4 LYS HDx H 1 1.685 0.020 A 4 LYS HDy H 1 1.685 0.020 A 4 LYS HEx H 1 2.992 0.020 A 4 LYS HEy H 1 2.992 0.020 A 4 LYS HGx H 1 1.409 0.020 A 4 LYS HGy H 1 1.466 0.020 A 4 LYS C C 13 176.791 0.400 A 4 LYS CA C 13 56.195 0.400 A 4 LYS CB C 13 32.965 0.400 A 4 LYS CD C 13 28.852 0.400 A 4 LYS CE C 13 41.978 0.400 A 4 LYS CG C 13 24.588 0.400 A 4 LYS N N 15 123.018 0.400 A 5 THR H H 1 8.225 0.020 A 5 THR HA H 1 4.330 0.020 A 5 THR HB H 1 4.239 0.020 A 5 THR HG2% H 1 1.209 0.020 A 5 THR C C 13 174.470 0.400 A 5 THR CA C 13 61.555 0.400 A 5 THR CB C 13 69.798 0.400 A 5 THR CG2 C 13 21.449 0.400 A 5 THR N N 15 115.556 0.400 A 6 ALA H H 1 8.423 0.020 A 6 ALA HA H 1 4.337 0.020 A 6 ALA HB% H 1 1.418 0.020 A 6 ALA C C 13 178.200 0.400 A 6 ALA CA C 13 52.641 0.400 A 6 ALA CB C 13 19.061 0.400 A 6 ALA N N 15 126.437 0.400 A 7 GLY H H 1 8.363 0.020 A 7 GLY HAx H 1 3.957 0.020 A 7 GLY HAy H 1 3.957 0.020 A 7 GLY C C 13 174.291 0.400 A 7 GLY CA C 13 45.060 0.400 A 7 GLY N N 15 108.114 0.400 A 8 GLU H H 1 8.273 0.020 A 8 GLU HA H 1 4.376 0.020 A 8 GLU HBx H 1 1.979 0.020 A 8 GLU HBy H 1 2.085 0.020 A 8 GLU HGx H 1 2.268 0.020 A 8 GLU HGy H 1 2.268 0.020 A 8 GLU C C 13 177.000 0.400 A 8 GLU CA C 13 56.424 0.400 A 8 GLU CB C 13 30.268 0.400 A 8 GLU CG C 13 36.116 0.400 A 8 GLU N N 15 120.668 0.400 A 9 THR H H 1 8.312 0.020 A 9 THR HA H 1 4.399 0.020 A 9 THR HB H 1 4.266 0.020 A 9 THR HG2% H 1 1.222 0.020 A 9 THR C C 13 174.731 0.400 A 9 THR CA C 13 61.801 0.400 A 9 THR CB C 13 69.708 0.400 A 9 THR CG2 C 13 21.466 0.400 A 9 THR N N 15 115.217 0.400 A 10 SER H H 1 8.415 0.020 A 10 SER HA H 1 4.476 0.020 A 10 SER HBx H 1 3.886 0.020 A 10 SER HBy H 1 3.921 0.020 A 10 SER C C 13 174.571 0.400 A 10 SER CA C 13 58.216 0.400 A 10 SER CB C 13 63.735 0.400 A 10 SER N N 15 118.227 0.400 A 11 ALA H H 1 8.446 0.020 A 11 ALA HA H 1 4.398 0.020 A 11 ALA HB% H 1 1.439 0.020 A 11 ALA C C 13 178.200 0.400 A 11 ALA CA C 13 52.793 0.400 A 11 ALA CB C 13 19.080 0.400 A 11 ALA N N 15 126.058 0.400 A 12 THR H H 1 8.120 0.020 A 12 THR HA H 1 4.319 0.020 A 12 THR HB H 1 4.271 0.020 A 12 THR HG2% H 1 1.213 0.020 A 12 THR C C 13 174.651 0.400 A 12 THR CA C 13 61.923 0.400 A 12 THR CB C 13 69.734 0.400 A 12 THR CG2 C 13 21.423 0.400 A 12 THR N N 15 112.444 0.400 A 13 ASP H H 1 8.326 0.020 A 13 ASP HA H 1 4.697 0.020 A 13 ASP HBx H 1 2.712 0.020 A 13 ASP HBy H 1 2.772 0.020 A 13 ASP C C 13 177.100 0.400 A 13 ASP CA C 13 54.514 0.400 A 13 ASP CB C 13 41.009 0.400 A 13 ASP N N 15 122.877 0.400 A 14 THR H H 1 8.258 0.020 A 14 THR HA H 1 4.171 0.020 A 14 THR HB H 1 4.296 0.020 A 14 THR HG2% H 1 1.253 0.020 A 14 THR C C 13 176.017 0.400 A 14 THR CA C 13 63.443 0.400 A 14 THR CB C 13 69.115 0.400 A 14 THR CG2 C 13 21.679 0.400 A 14 THR N N 15 115.512 0.400 A 15 GLY H H 1 8.559 0.020 A 15 GLY HAx H 1 3.995 0.020 A 15 GLY HAy H 1 3.995 0.020 A 15 GLY C C 13 175.300 0.400 A 15 GLY CA C 13 46.071 0.400 A 15 GLY N N 15 111.136 0.400 A 16 LYS H H 1 8.063 0.020 A 16 LYS HA H 1 4.166 0.020 A 16 LYS HBx H 1 1.859 0.020 A 16 LYS HBy H 1 1.859 0.020 A 16 LYS HDx H 1 1.685 0.020 A 16 LYS HDy H 1 1.685 0.020 A 16 LYS HEx H 1 2.975 0.020 A 16 LYS HEy H 1 2.975 0.020 A 16 LYS HGx H 1 1.392 0.020 A 16 LYS HGy H 1 1.510 0.020 A 16 LYS C C 13 178.100 0.400 A 16 LYS CA C 13 58.089 0.400 A 16 LYS CB C 13 32.490 0.400 A 16 LYS CD C 13 29.050 0.400 A 16 LYS CE C 13 41.944 0.400 A 16 LYS CG C 13 24.908 0.400 A 16 LYS N N 15 121.415 0.400 A 17 ARG H H 1 8.303 0.020 A 17 ARG HA H 1 4.182 0.020 A 17 ARG HBx H 1 1.879 0.020 A 17 ARG HBy H 1 1.879 0.020 A 17 ARG HDx H 1 3.205 0.020 A 17 ARG HDy H 1 3.205 0.020 A 17 ARG HGx H 1 1.621 0.020 A 17 ARG HGy H 1 1.706 0.020 A 17 ARG C C 13 178.233 0.400 A 17 ARG CA C 13 58.103 0.400 A 17 ARG CB C 13 29.922 0.400 A 17 ARG CD C 13 43.160 0.400 A 17 ARG CG C 13 27.173 0.400 A 17 ARG N N 15 120.721 0.400 A 18 GLU H H 1 8.507 0.020 A 18 GLU HA H 1 4.137 0.020 A 18 GLU HBx H 1 2.086 0.020 A 18 GLU HBy H 1 2.086 0.020 A 18 GLU HGx H 1 2.349 0.020 A 18 GLU HGy H 1 2.349 0.020 A 18 GLU C C 13 178.474 0.400 A 18 GLU CA C 13 58.848 0.400 A 18 GLU CB C 13 29.247 0.400 A 18 GLU CG C 13 36.351 0.400 A 18 GLU N N 15 120.490 0.400 A 19 LYS H H 1 8.100 0.020 A 19 LYS HA H 1 4.178 0.020 A 19 LYS HBx H 1 1.905 0.020 A 19 LYS HBy H 1 1.905 0.020 A 19 LYS HDx H 1 1.646 0.020 A 19 LYS HDy H 1 1.646 0.020 A 19 LYS HEx H 1 2.952 0.020 A 19 LYS HEy H 1 2.952 0.020 A 19 LYS HGx H 1 1.441 0.020 A 19 LYS HGy H 1 1.555 0.020 A 19 LYS C C 13 178.755 0.400 A 19 LYS CA C 13 58.393 0.400 A 19 LYS CB C 13 32.341 0.400 A 19 LYS CD C 13 28.949 0.400 A 19 LYS CE C 13 41.943 0.400 A 19 LYS CG C 13 25.000 0.400 A 19 LYS N N 15 120.489 0.400 A 20 GLN H H 1 8.244 0.020 A 20 GLN HA H 1 4.223 0.020 A 20 GLN HBx H 1 2.193 0.020 A 20 GLN HBy H 1 2.193 0.020 A 20 GLN HE21 H 1 7.475 0.020 A 20 GLN HE22 H 1 6.814 0.020 A 20 GLN HGx H 1 2.404 0.020 A 20 GLN HGy H 1 2.518 0.020 A 20 GLN C C 13 178.500 0.400 A 20 GLN CA C 13 58.131 0.400 A 20 GLN CB C 13 28.243 0.400 A 20 GLN CG C 13 33.889 0.400 A 20 GLN N N 15 119.921 0.400 A 20 GLN NE2 N 15 111.406 0.400 A 21 LEU H H 1 8.289 0.020 A 21 LEU HA H 1 4.434 0.020 A 21 LEU HBx H 1 1.835 0.020 A 21 LEU HBy H 1 1.904 0.020 A 21 LEU HDx% H 1 1.051 0.020 A 21 LEU HDy% H 1 1.030 0.020 A 21 LEU HG H 1 1.681 0.020 A 21 LEU C C 13 178.400 0.400 A 21 LEU CA C 13 58.124 0.400 A 21 LEU CB C 13 41.897 0.400 A 21 LEU CDx C 13 24.066 0.400 A 21 LEU CDy C 13 25.067 0.400 A 21 LEU CG C 13 27.174 0.400 A 21 LEU N N 15 122.398 0.400 A 22 GLN H H 1 8.225 0.020 A 22 GLN HA H 1 3.943 0.020 A 22 GLN HBx H 1 2.178 0.020 A 22 GLN HBy H 1 2.238 0.020 A 22 GLN HE21 H 1 7.503 0.020 A 22 GLN HE22 H 1 7.220 0.020 A 22 GLN HGx H 1 2.475 0.020 A 22 GLN HGy H 1 2.475 0.020 A 22 GLN C C 13 178.497 0.400 A 22 GLN CA C 13 58.821 0.400 A 22 GLN CB C 13 28.187 0.400 A 22 GLN CG C 13 33.720 0.400 A 22 GLN N N 15 117.554 0.400 A 22 GLN NE2 N 15 114.097 0.400 A 23 GLN H H 1 8.095 0.020 A 23 GLN HA H 1 4.126 0.020 A 23 GLN HBx H 1 2.211 0.020 A 23 GLN HBy H 1 2.261 0.020 A 23 GLN HE21 H 1 7.530 0.020 A 23 GLN HE22 H 1 6.989 0.020 A 23 GLN HGy H 1 2.520 0.020 A 23 GLN HGx H 1 2.470 0.020 A 23 GLN C C 13 178.152 0.400 A 23 GLN CA C 13 58.813 0.400 A 23 GLN CB C 13 28.332 0.400 A 23 GLN CG C 13 33.909 0.400 A 23 GLN N N 15 118.520 0.400 A 23 GLN NE2 N 15 112.830 0.400 A 24 TRP H H 1 8.291 0.020 A 24 TRP HA H 1 4.809 0.020 A 24 TRP HBy H 1 3.650 0.020 A 24 TRP HBx H 1 3.328 0.020 A 24 TRP HD1 H 1 7.407 0.020 A 24 TRP HE1 H 1 10.457 0.020 A 24 TRP HE3 H 1 7.511 0.020 A 24 TRP HH2 H 1 7.276 0.020 A 24 TRP HZ2 H 1 7.439 0.020 A 24 TRP HZ3 H 1 7.050 0.020 A 24 TRP C C 13 178.539 0.400 A 24 TRP CA C 13 58.619 0.400 A 24 TRP CB C 13 28.888 0.400 A 24 TRP CD1 C 13 125.840 0.400 A 24 TRP CE3 C 13 120.255 0.400 A 24 TRP CH2 C 13 124.292 0.400 A 24 TRP CZ2 C 13 114.160 0.400 A 24 TRP CZ3 C 13 121.377 0.400 A 24 TRP N N 15 121.784 0.400 A 24 TRP NE1 N 15 129.361 0.400 A 25 LYS H H 1 8.708 0.020 A 25 LYS HA H 1 3.520 0.020 A 25 LYS HB2 H 1 1.989 0.020 A 25 LYS HB3 H 1 1.538 0.020 A 25 LYS HDx H 1 1.613 0.020 A 25 LYS HDy H 1 1.747 0.020 A 25 LYS HEx H 1 3.031 0.020 A 25 LYS HEy H 1 3.287 0.020 A 25 LYS HGx H 1 0.988 0.020 A 25 LYS HGy H 1 1.829 0.020 A 25 LYS C C 13 178.511 0.400 A 25 LYS CA C 13 61.056 0.400 A 25 LYS CB C 13 32.696 0.400 A 25 LYS CD C 13 30.286 0.400 A 25 LYS CE C 13 42.644 0.400 A 25 LYS CG C 13 27.152 0.400 A 25 LYS N N 15 116.997 0.400 A 26 ASN H H 1 8.201 0.020 A 26 ASN HA H 1 4.332 0.020 A 26 ASN HBx H 1 2.884 0.020 A 26 ASN HBy H 1 2.980 0.020 A 26 ASN HD21 H 1 7.570 0.020 A 26 ASN HD22 H 1 7.061 0.020 A 26 ASN C C 13 178.242 0.400 A 26 ASN CA C 13 56.075 0.400 A 26 ASN CB C 13 37.499 0.400 A 26 ASN N N 15 116.989 0.400 A 26 ASN ND2 N 15 111.599 0.400 A 27 ASN H H 1 8.312 0.020 A 27 ASN HA H 1 4.524 0.020 A 27 ASN HBx H 1 3.176 0.020 A 27 ASN HBy H 1 3.275 0.020 A 27 ASN HD21 H 1 7.743 0.020 A 27 ASN HD22 H 1 7.030 0.020 A 27 ASN C C 13 177.723 0.400 A 27 ASN CA C 13 56.071 0.400 A 27 ASN CB C 13 37.611 0.400 A 27 ASN N N 15 121.316 0.400 A 27 ASN ND2 N 15 111.804 0.400 A 28 LEU H H 1 8.860 0.020 A 28 LEU HA H 1 4.274 0.020 A 28 LEU HB2 H 1 1.980 0.020 A 28 LEU HB3 H 1 1.288 0.020 A 28 LEU HDx% H 1 0.238 0.020 A 28 LEU HDy% H 1 0.966 0.020 A 28 LEU HG H 1 1.604 0.020 A 28 LEU C C 13 179.212 0.400 A 28 LEU CA C 13 57.781 0.400 A 28 LEU CB C 13 42.994 0.400 A 28 LEU CDy C 13 25.611 0.400 A 28 LEU CDx C 13 23.657 0.400 A 28 LEU CG C 13 26.299 0.400 A 28 LEU N N 15 121.441 0.400 A 29 LYS H H 1 8.300 0.020 A 29 LYS HA H 1 3.508 0.020 A 29 LYS HBx H 1 1.702 0.020 A 29 LYS HBy H 1 1.973 0.020 A 29 LYS HDx H 1 1.622 0.020 A 29 LYS HDy H 1 1.810 0.020 A 29 LYS HEx H 1 2.733 0.020 A 29 LYS HEy H 1 2.873 0.020 A 29 LYS HGx H 1 1.063 0.020 A 29 LYS HGy H 1 2.002 0.020 A 29 LYS C C 13 177.900 0.400 A 29 LYS CA C 13 61.203 0.400 A 29 LYS CB C 13 31.648 0.400 A 29 LYS CD C 13 29.502 0.400 A 29 LYS CE C 13 41.570 0.400 A 29 LYS CG C 13 27.521 0.400 A 29 LYS N N 15 117.373 0.400 A 30 ASN H H 1 7.681 0.020 A 30 ASN HA H 1 4.401 0.020 A 30 ASN HBx H 1 2.959 0.020 A 30 ASN HBy H 1 2.959 0.020 A 30 ASN HD21 H 1 7.893 0.020 A 30 ASN HD22 H 1 6.889 0.020 A 30 ASN C C 13 177.700 0.400 A 30 ASN CA C 13 56.136 0.400 A 30 ASN CB C 13 37.894 0.400 A 30 ASN N N 15 117.656 0.400 A 30 ASN ND2 N 15 113.142 0.400 A 31 ASP H H 1 8.354 0.020 A 31 ASP HA H 1 4.458 0.020 A 31 ASP HB2 H 1 2.872 0.020 A 31 ASP HB3 H 1 3.275 0.020 A 31 ASP C C 13 180.524 0.400 A 31 ASP CA C 13 57.528 0.400 A 31 ASP CB C 13 39.319 0.400 A 31 ASP N N 15 121.559 0.400 A 32 VAL H H 1 8.201 0.020 A 32 VAL HA H 1 2.868 0.020 A 32 VAL HB H 1 1.766 0.020 A 32 VAL HGx% H 1 0.744 0.020 A 32 VAL HGy% H 1 -0.190 0.020 A 32 VAL C C 13 179.106 0.400 A 32 VAL CA C 13 66.045 0.400 A 32 VAL CB C 13 30.347 0.400 A 32 VAL CGy C 13 22.564 0.400 A 32 VAL CGx C 13 22.355 0.400 A 32 VAL N N 15 121.811 0.400 A 33 ASP H H 1 7.834 0.020 A 33 ASP HA H 1 4.447 0.020 A 33 ASP HBx H 1 2.674 0.020 A 33 ASP HBy H 1 2.864 0.020 A 33 ASP C C 13 177.195 0.400 A 33 ASP CA C 13 57.467 0.400 A 33 ASP CB C 13 40.069 0.400 A 33 ASP N N 15 121.420 0.400 A 34 ASN H H 1 7.467 0.020 A 34 ASN HA H 1 4.939 0.020 A 34 ASN HB2 H 1 2.775 0.020 A 34 ASN HB3 H 1 3.082 0.020 A 34 ASN HD21 H 1 7.766 0.020 A 34 ASN HD22 H 1 6.835 0.020 A 34 ASN C C 13 175.901 0.400 A 34 ASN CA C 13 53.295 0.400 A 34 ASN CB C 13 39.209 0.400 A 34 ASN N N 15 117.197 0.400 A 34 ASN ND2 N 15 113.528 0.400 A 35 THR H H 1 7.426 0.020 A 35 THR HA H 1 4.634 0.020 A 35 THR HB H 1 4.442 0.020 A 35 THR HG1 H 1 5.544 0.020 A 35 THR HG2% H 1 1.505 0.020 A 35 THR C C 13 174.800 0.400 A 35 THR CA C 13 62.080 0.400 A 35 THR CB C 13 71.521 0.400 A 35 THR CG2 C 13 21.330 0.400 A 35 THR N N 15 110.258 0.400 A 36 ILE H H 1 8.067 0.020 A 36 ILE HA H 1 4.718 0.020 A 36 ILE HB H 1 2.192 0.020 A 36 ILE HD1% H 1 0.225 0.020 A 36 ILE HG1y H 1 1.199 0.020 A 36 ILE HG1x H 1 1.053 0.020 A 36 ILE HG2% H 1 0.902 0.020 A 36 ILE C C 13 175.700 0.400 A 36 ILE CA C 13 60.774 0.400 A 36 ILE CB C 13 36.470 0.400 A 36 ILE CD1 C 13 12.752 0.400 A 36 ILE CG1 C 13 25.457 0.400 A 36 ILE CG2 C 13 17.364 0.400 A 36 ILE N N 15 109.676 0.400 A 37 LEU H H 1 6.847 0.020 A 37 LEU HA H 1 4.015 0.020 A 37 LEU HB2 H 1 1.512 0.020 A 37 LEU HB3 H 1 1.863 0.020 A 37 LEU HDx% H 1 0.929 0.020 A 37 LEU HDy% H 1 1.022 0.020 A 37 LEU HG H 1 1.842 0.020 A 37 LEU C C 13 175.904 0.400 A 37 LEU CA C 13 56.285 0.400 A 37 LEU CB C 13 42.302 0.400 A 37 LEU CDy C 13 25.456 0.400 A 37 LEU CDx C 13 23.495 0.400 A 37 LEU CG C 13 29.645 0.400 A 37 LEU N N 15 121.806 0.400 A 38 SER H H 1 8.902 0.020 A 38 SER HA H 1 4.404 0.020 A 38 SER HBx H 1 4.113 0.020 A 38 SER HBy H 1 4.447 0.020 A 38 SER C C 13 174.830 0.400 A 38 SER CA C 13 57.454 0.400 A 38 SER CB C 13 64.964 0.400 A 38 SER N N 15 115.663 0.400 A 39 HIS H H 1 9.112 0.020 A 39 HIS HA H 1 4.173 0.020 A 39 HIS HBx H 1 3.136 0.020 A 39 HIS HBy H 1 3.243 0.020 A 39 HIS HD2 H 1 7.097 0.020 A 39 HIS HE1 H 1 7.993 0.020 A 39 HIS C C 13 177.531 0.400 A 39 HIS CA C 13 60.324 0.400 A 39 HIS CB C 13 29.773 0.400 A 39 HIS CD2 C 13 119.670 0.400 A 39 HIS CE1 C 13 138.107 0.400 A 39 HIS N N 15 120.887 0.400 A 39 HIS ND1 N 15 214.688 0.400 A 39 HIS NE2 N 15 178.266 0.400 A 40 GLU H H 1 8.861 0.020 A 40 GLU HA H 1 3.996 0.020 A 40 GLU HBx H 1 1.969 0.020 A 40 GLU HBy H 1 2.049 0.020 A 40 GLU HGx H 1 2.290 0.020 A 40 GLU HGy H 1 2.427 0.020 A 40 GLU C C 13 179.546 0.400 A 40 GLU CA C 13 60.155 0.400 A 40 GLU CB C 13 28.907 0.400 A 40 GLU CG C 13 36.807 0.400 A 40 GLU N N 15 117.525 0.400 A 41 GLN H H 1 7.917 0.020 A 41 GLN HA H 1 4.142 0.020 A 41 GLN HBx H 1 2.012 0.020 A 41 GLN HBy H 1 2.484 0.020 A 41 GLN HE21 H 1 7.747 0.020 A 41 GLN HE22 H 1 6.737 0.020 A 41 GLN HGx H 1 2.496 0.020 A 41 GLN HGy H 1 2.496 0.020 A 41 GLN C C 13 179.300 0.400 A 41 GLN CA C 13 58.785 0.400 A 41 GLN CB C 13 29.869 0.400 A 41 GLN CG C 13 34.993 0.400 A 41 GLN N N 15 120.269 0.400 A 41 GLN NE2 N 15 112.055 0.400 A 42 LYS H H 1 8.995 0.020 A 42 LYS HA H 1 3.703 0.020 A 42 LYS HBx H 1 1.510 0.020 A 42 LYS HBy H 1 1.985 0.020 A 42 LYS HDx H 1 1.458 0.020 A 42 LYS HDy H 1 1.722 0.020 A 42 LYS HEx H 1 3.037 0.020 A 42 LYS HEy H 1 3.125 0.020 A 42 LYS HGx H 1 0.904 0.020 A 42 LYS HGy H 1 1.516 0.020 A 42 LYS C C 13 178.582 0.400 A 42 LYS CA C 13 60.526 0.400 A 42 LYS CB C 13 33.027 0.400 A 42 LYS CD C 13 30.281 0.400 A 42 LYS CE C 13 42.166 0.400 A 42 LYS CG C 13 27.042 0.400 A 42 LYS N N 15 119.719 0.400 A 43 ASN H H 1 8.096 0.020 A 43 ASN HA H 1 4.297 0.020 A 43 ASN HBx H 1 2.738 0.020 A 43 ASN HBy H 1 2.777 0.020 A 43 ASN HD21 H 1 7.593 0.020 A 43 ASN HD22 H 1 6.584 0.020 A 43 ASN C C 13 178.000 0.400 A 43 ASN CA C 13 56.080 0.400 A 43 ASN CB C 13 37.670 0.400 A 43 ASN N N 15 117.010 0.400 A 43 ASN ND2 N 15 111.797 0.400 A 44 GLU H H 1 8.047 0.020 A 44 GLU HA H 1 3.976 0.020 A 44 GLU HBx H 1 1.912 0.020 A 44 GLU HBy H 1 2.068 0.020 A 44 GLU HGx H 1 1.906 0.020 A 44 GLU HGy H 1 2.230 0.020 A 44 GLU C C 13 179.200 0.400 A 44 GLU CA C 13 59.557 0.400 A 44 GLU CB C 13 29.243 0.400 A 44 GLU CG C 13 35.796 0.400 A 44 GLU N N 15 121.703 0.400 A 45 PHE H H 1 8.212 0.020 A 45 PHE HA H 1 4.140 0.020 A 45 PHE HB2 H 1 2.934 0.020 A 45 PHE HB3 H 1 2.781 0.020 A 45 PHE HDx H 1 7.330 0.020 A 45 PHE HDy H 1 7.330 0.020 A 45 PHE HEx H 1 7.504 0.020 A 45 PHE HEy H 1 7.504 0.020 A 45 PHE HZ H 1 7.331 0.020 A 45 PHE C C 13 178.300 0.400 A 45 PHE CA C 13 64.046 0.400 A 45 PHE CB C 13 39.562 0.400 A 45 PHE CDx C 13 131.356 0.400 A 45 PHE CEx C 13 131.882 0.400 A 45 PHE CZ C 13 129.885 0.400 A 45 PHE N N 15 116.044 0.400 A 46 LYS H H 1 8.563 0.020 A 46 LYS HA H 1 3.777 0.020 A 46 LYS HBx H 1 1.845 0.020 A 46 LYS HBy H 1 1.962 0.020 A 46 LYS HDx H 1 1.611 0.020 A 46 LYS HDy H 1 1.724 0.020 A 46 LYS HEx H 1 2.664 0.020 A 46 LYS HEy H 1 2.775 0.020 A 46 LYS HGx H 1 0.987 0.020 A 46 LYS HGy H 1 1.874 0.020 A 46 LYS C C 13 177.671 0.400 A 46 LYS CA C 13 62.016 0.400 A 46 LYS CB C 13 31.496 0.400 A 46 LYS CD C 13 29.573 0.400 A 46 LYS CE C 13 41.552 0.400 A 46 LYS CG C 13 27.325 0.400 A 46 LYS N N 15 117.779 0.400 A 47 THR H H 1 8.094 0.020 A 47 THR HA H 1 3.956 0.020 A 47 THR HB H 1 4.223 0.020 A 47 THR HG2% H 1 1.183 0.020 A 47 THR C C 13 176.183 0.400 A 47 THR CA C 13 66.719 0.400 A 47 THR CB C 13 68.775 0.400 A 47 THR CG2 C 13 21.339 0.400 A 47 THR N N 15 115.279 0.400 A 48 LYS H H 1 7.787 0.020 A 48 LYS HA H 1 3.993 0.020 A 48 LYS HBx H 1 1.876 0.020 A 48 LYS HBy H 1 1.921 0.020 A 48 LYS HDx H 1 1.343 0.020 A 48 LYS HDy H 1 1.584 0.020 A 48 LYS HEx H 1 2.784 0.020 A 48 LYS HEy H 1 2.784 0.020 A 48 LYS HGx H 1 1.404 0.020 A 48 LYS HGy H 1 1.584 0.020 A 48 LYS C C 13 179.800 0.400 A 48 LYS CA C 13 59.599 0.400 A 48 LYS CB C 13 32.698 0.400 A 48 LYS CD C 13 29.239 0.400 A 48 LYS CE C 13 41.960 0.400 A 48 LYS CG C 13 25.977 0.400 A 48 LYS N N 15 120.474 0.400 A 49 ILE H H 1 8.518 0.020 A 49 ILE HA H 1 3.398 0.020 A 49 ILE HB H 1 1.922 0.020 A 49 ILE HD1% H 1 0.685 0.020 A 49 ILE HG1x H 1 0.801 0.020 A 49 ILE HG1y H 1 2.045 0.020 A 49 ILE HG2% H 1 0.859 0.020 A 49 ILE C C 13 177.200 0.400 A 49 ILE CA C 13 65.321 0.400 A 49 ILE CB C 13 38.128 0.400 A 49 ILE CD1 C 13 14.944 0.400 A 49 ILE CG1 C 13 30.293 0.400 A 49 ILE CG2 C 13 17.228 0.400 A 49 ILE N N 15 121.133 0.400 A 50 ASP H H 1 7.933 0.020 A 50 ASP HA H 1 4.326 0.020 A 50 ASP HBx H 1 2.644 0.020 A 50 ASP HBy H 1 2.905 0.020 A 50 ASP C C 13 178.800 0.400 A 50 ASP CA C 13 57.777 0.400 A 50 ASP CB C 13 40.098 0.400 A 50 ASP N N 15 118.168 0.400 A 51 GLU H H 1 7.665 0.020 A 51 GLU HA H 1 4.129 0.020 A 51 GLU HBx H 1 2.011 0.020 A 51 GLU HBy H 1 2.109 0.020 A 51 GLU HGx H 1 2.293 0.020 A 51 GLU HGy H 1 2.477 0.020 A 51 GLU C C 13 176.000 0.400 A 51 GLU CA C 13 57.092 0.400 A 51 GLU CB C 13 30.348 0.400 A 51 GLU CG C 13 36.212 0.400 A 51 GLU N N 15 116.055 0.400 A 52 THR H H 1 7.354 0.020 A 52 THR HA H 1 4.363 0.020 A 52 THR HB H 1 4.059 0.020 A 52 THR HG1 H 1 5.951 0.020 A 52 THR HG2% H 1 1.183 0.020 A 52 THR C C 13 172.600 0.400 A 52 THR CA C 13 62.316 0.400 A 52 THR CB C 13 69.482 0.400 A 52 THR CG2 C 13 21.667 0.400 A 52 THR N N 15 116.032 0.400 A 53 ASN H H 1 8.649 0.020 A 53 ASN HA H 1 5.032 0.020 A 53 ASN HBx H 1 2.586 0.020 A 53 ASN HBy H 1 2.958 0.020 A 53 ASN HD21 H 1 7.574 0.020 A 53 ASN HD22 H 1 6.980 0.020 A 53 ASN C C 13 173.600 0.400 A 53 ASN CA C 13 51.996 0.400 A 53 ASN CB C 13 40.145 0.400 A 53 ASN N N 15 122.827 0.400 A 53 ASN ND2 N 15 114.311 0.400 A 54 ASP H H 1 7.681 0.020 A 54 ASP HA H 1 4.805 0.020 A 54 ASP HBx H 1 2.661 0.020 A 54 ASP HBy H 1 2.809 0.020 A 54 ASP C C 13 176.236 0.400 A 54 ASP CA C 13 53.540 0.400 A 54 ASP CB C 13 43.343 0.400 A 54 ASP N N 15 120.816 0.400 A 55 SER H H 1 9.004 0.020 A 55 SER HA H 1 4.220 0.020 A 55 SER HBx H 1 4.091 0.020 A 55 SER HBy H 1 4.131 0.020 A 55 SER C C 13 175.852 0.400 A 55 SER CA C 13 62.512 0.400 A 55 SER CB C 13 62.820 0.400 A 55 SER N N 15 121.651 0.400 A 56 ASP H H 1 8.300 0.020 A 56 ASP HA H 1 4.536 0.020 A 56 ASP HBx H 1 2.672 0.020 A 56 ASP HBy H 1 2.833 0.020 A 56 ASP C C 13 179.100 0.400 A 56 ASP CA C 13 57.679 0.400 A 56 ASP CB C 13 39.840 0.400 A 56 ASP N N 15 121.030 0.400 A 57 ALA H H 1 8.089 0.020 A 57 ALA HA H 1 4.238 0.020 A 57 ALA HB% H 1 1.569 0.020 A 57 ALA C C 13 181.200 0.400 A 57 ALA CA C 13 54.580 0.400 A 57 ALA CB C 13 18.838 0.400 A 57 ALA N N 15 124.167 0.400 A 58 LEU H H 1 8.145 0.020 A 58 LEU HA H 1 3.929 0.020 A 58 LEU HBx H 1 0.670 0.020 A 58 LEU HBy H 1 1.715 0.020 A 58 LEU HDx% H 1 0.406 0.020 A 58 LEU HDy% H 1 0.632 0.020 A 58 LEU HG H 1 1.427 0.020 A 58 LEU C C 13 178.415 0.400 A 58 LEU CA C 13 58.117 0.400 A 58 LEU CB C 13 41.434 0.400 A 58 LEU CDy C 13 25.478 0.400 A 58 LEU CDx C 13 24.153 0.400 A 58 LEU CG C 13 26.841 0.400 A 58 LEU N N 15 121.131 0.400 A 59 LEU H H 1 8.096 0.020 A 59 LEU HA H 1 4.337 0.020 A 59 LEU HB2 H 1 2.065 0.020 A 59 LEU HB3 H 1 1.737 0.020 A 59 LEU HDx% H 1 1.059 0.020 A 59 LEU HDy% H 1 1.114 0.020 A 59 LEU HG H 1 2.067 0.020 A 59 LEU C C 13 179.957 0.400 A 59 LEU CA C 13 57.808 0.400 A 59 LEU CB C 13 41.735 0.400 A 59 LEU CDy C 13 25.142 0.400 A 59 LEU CDx C 13 24.071 0.400 A 59 LEU CG C 13 26.993 0.400 A 59 LEU N N 15 119.889 0.400 A 60 GLU H H 1 7.733 0.020 A 60 GLU HA H 1 4.258 0.020 A 60 GLU HBx H 1 2.152 0.020 A 60 GLU HBy H 1 2.152 0.020 A 60 GLU HGx H 1 2.330 0.020 A 60 GLU HGy H 1 2.370 0.020 A 60 GLU C C 13 179.100 0.400 A 60 GLU CA C 13 59.058 0.400 A 60 GLU CB C 13 28.911 0.400 A 60 GLU CG C 13 35.763 0.400 A 60 GLU N N 15 119.496 0.400 A 61 LEU H H 1 8.017 0.020 A 61 LEU HA H 1 4.213 0.020 A 61 LEU HB2 H 1 2.199 0.020 A 61 LEU HB3 H 1 1.459 0.020 A 61 LEU HDx% H 1 0.916 0.020 A 61 LEU HDy% H 1 1.097 0.020 A 61 LEU HG H 1 1.994 0.020 A 61 LEU C C 13 178.061 0.400 A 61 LEU CA C 13 58.379 0.400 A 61 LEU CB C 13 42.296 0.400 A 61 LEU CDy C 13 26.308 0.400 A 61 LEU CDx C 13 24.233 0.400 A 61 LEU CG C 13 27.279 0.400 A 61 LEU N N 15 121.168 0.400 A 62 GLU H H 1 8.285 0.020 A 62 GLU HA H 1 3.265 0.020 A 62 GLU HBx H 1 1.870 0.020 A 62 GLU HBy H 1 2.308 0.020 A 62 GLU HGx H 1 1.867 0.020 A 62 GLU HGy H 1 1.867 0.020 A 62 GLU C C 13 178.442 0.400 A 62 GLU CA C 13 58.237 0.400 A 62 GLU CB C 13 29.215 0.400 A 62 GLU CG C 13 35.359 0.400 A 62 GLU N N 15 119.493 0.400 A 63 ASN H H 1 8.119 0.020 A 63 ASN HA H 1 4.334 0.020 A 63 ASN HBx H 1 2.875 0.020 A 63 ASN HBy H 1 2.968 0.020 A 63 ASN HD21 H 1 7.632 0.020 A 63 ASN HD22 H 1 6.814 0.020 A 63 ASN C C 13 178.200 0.400 A 63 ASN CA C 13 56.095 0.400 A 63 ASN CB C 13 38.037 0.400 A 63 ASN N N 15 117.989 0.400 A 63 ASN ND2 N 15 112.424 0.400 A 64 GLN H H 1 8.359 0.020 A 64 GLN HA H 1 4.197 0.020 A 64 GLN HBx H 1 2.378 0.020 A 64 GLN HBy H 1 2.603 0.020 A 64 GLN HE21 H 1 7.727 0.020 A 64 GLN HE22 H 1 6.736 0.020 A 64 GLN HGx H 1 2.500 0.020 A 64 GLN HGy H 1 2.812 0.020 A 64 GLN C C 13 180.100 0.400 A 64 GLN CA C 13 59.153 0.400 A 64 GLN CB C 13 28.562 0.400 A 64 GLN CG C 13 33.881 0.400 A 64 GLN N N 15 119.116 0.400 A 64 GLN NE2 N 15 110.778 0.400 A 65 PHE H H 1 8.810 0.020 A 65 PHE HA H 1 3.986 0.020 A 65 PHE HBx H 1 1.029 0.020 A 65 PHE HBy H 1 2.418 0.020 A 65 PHE HDx H 1 6.621 0.020 A 65 PHE HDy H 1 6.621 0.020 A 65 PHE HEx H 1 6.971 0.020 A 65 PHE HEy H 1 6.971 0.020 A 65 PHE HZ H 1 7.361 0.020 A 65 PHE C C 13 177.900 0.400 A 65 PHE CA C 13 60.531 0.400 A 65 PHE CB C 13 35.295 0.400 A 65 PHE CDx C 13 132.739 0.400 A 65 PHE CEx C 13 130.363 0.400 A 65 PHE CZ C 13 130.699 0.400 A 65 PHE N N 15 119.383 0.400 A 66 ASN H H 1 7.683 0.020 A 66 ASN HA H 1 4.514 0.020 A 66 ASN HB2 H 1 2.779 0.020 A 66 ASN HB3 H 1 2.555 0.020 A 66 ASN HD2y H 1 7.080 0.020 A 66 ASN HD2x H 1 7.053 0.020 A 66 ASN C C 13 178.100 0.400 A 66 ASN CA C 13 56.621 0.400 A 66 ASN CB C 13 37.926 0.400 A 66 ASN N N 15 122.816 0.400 A 66 ASN ND2 N 15 115.636 0.400 A 67 GLU H H 1 8.350 0.020 A 67 GLU HA H 1 4.475 0.020 A 67 GLU HBx H 1 2.078 0.020 A 67 GLU HBy H 1 2.176 0.020 A 67 GLU HGx H 1 2.270 0.020 A 67 GLU HGy H 1 2.400 0.020 A 67 GLU C C 13 178.486 0.400 A 67 GLU CA C 13 58.815 0.400 A 67 GLU CB C 13 28.891 0.400 A 67 GLU CG C 13 34.966 0.400 A 67 GLU N N 15 123.477 0.400 A 68 THR H H 1 8.372 0.020 A 68 THR HA H 1 3.990 0.020 A 68 THR HB H 1 4.301 0.020 A 68 THR HG2% H 1 1.388 0.020 A 68 THR C C 13 176.289 0.400 A 68 THR CA C 13 67.268 0.400 A 68 THR CB C 13 68.637 0.400 A 68 THR CG2 C 13 21.679 0.400 A 68 THR N N 15 116.810 0.400 A 69 ASN H H 1 8.292 0.020 A 69 ASN HA H 1 4.454 0.020 A 69 ASN HB2 H 1 2.718 0.020 A 69 ASN HB3 H 1 3.215 0.020 A 69 ASN HD21 H 1 8.176 0.020 A 69 ASN HD22 H 1 7.261 0.020 A 69 ASN C C 13 177.423 0.400 A 69 ASN CA C 13 56.923 0.400 A 69 ASN CB C 13 39.896 0.400 A 69 ASN N N 15 119.305 0.400 A 69 ASN ND2 N 15 115.652 0.400 A 70 ARG H H 1 8.447 0.020 A 70 ARG HA H 1 4.118 0.020 A 70 ARG HBx H 1 2.030 0.020 A 70 ARG HBy H 1 2.168 0.020 A 70 ARG HDx H 1 3.094 0.020 A 70 ARG HDy H 1 3.375 0.020 A 70 ARG HE H 1 8.137 0.020 A 70 ARG HGx H 1 1.458 0.020 A 70 ARG HGy H 1 1.743 0.020 A 70 ARG C C 13 179.531 0.400 A 70 ARG CA C 13 60.146 0.400 A 70 ARG CB C 13 30.494 0.400 A 70 ARG CD C 13 42.892 0.400 A 70 ARG CG C 13 27.719 0.400 A 70 ARG N N 15 122.258 0.400 A 70 ARG NE N 15 83.062 0.400 A 71 LEU H H 1 8.358 0.020 A 71 LEU HA H 1 4.119 0.020 A 71 LEU HBx H 1 1.602 0.020 A 71 LEU HBy H 1 2.023 0.020 A 71 LEU HDx% H 1 0.977 0.020 A 71 LEU HDy% H 1 0.914 0.020 A 71 LEU HG H 1 1.871 0.020 A 71 LEU C C 13 180.441 0.400 A 71 LEU CA C 13 57.815 0.400 A 71 LEU CB C 13 41.530 0.400 A 71 LEU CDy C 13 25.131 0.400 A 71 LEU CDx C 13 22.799 0.400 A 71 LEU CG C 13 26.888 0.400 A 71 LEU N N 15 119.500 0.400 A 72 LEU H H 1 8.280 0.020 A 72 LEU HA H 1 4.192 0.020 A 72 LEU HB2 H 1 1.922 0.020 A 72 LEU HB3 H 1 1.383 0.020 A 72 LEU HDx% H 1 0.979 0.020 A 72 LEU HDy% H 1 0.939 0.020 A 72 LEU HG H 1 1.938 0.020 A 72 LEU C C 13 179.969 0.400 A 72 LEU CA C 13 57.456 0.400 A 72 LEU CB C 13 41.754 0.400 A 72 LEU CDy C 13 26.138 0.400 A 72 LEU CDx C 13 22.600 0.400 A 72 LEU CG C 13 26.645 0.400 A 72 LEU N N 15 120.116 0.400 A 73 HIS H H 1 8.192 0.020 A 73 HIS HA H 1 4.178 0.020 A 73 HIS HBx H 1 3.260 0.020 A 73 HIS HBy H 1 3.355 0.020 A 73 HIS HD2 H 1 7.190 0.020 A 73 HIS HE1 H 1 8.311 0.020 A 73 HIS C C 13 177.778 0.400 A 73 HIS CA C 13 60.484 0.400 A 73 HIS CB C 13 28.903 0.400 A 73 HIS CD2 C 13 121.240 0.400 A 73 HIS CE1 C 13 137.689 0.400 A 73 HIS N N 15 118.818 0.400 A 73 HIS ND1 N 15 194.362 0.400 A 73 HIS NE2 N 15 185.076 0.400 A 74 ILE H H 1 7.906 0.020 A 74 ILE HA H 1 3.907 0.020 A 74 ILE HB H 1 2.039 0.020 A 74 ILE HD1% H 1 0.926 0.020 A 74 ILE HG1y H 1 1.794 0.020 A 74 ILE HG1x H 1 1.236 0.020 A 74 ILE HG2% H 1 0.983 0.020 A 74 ILE C C 13 178.067 0.400 A 74 ILE CA C 13 64.656 0.400 A 74 ILE CB C 13 38.102 0.400 A 74 ILE CD1 C 13 13.424 0.400 A 74 ILE CG1 C 13 28.601 0.400 A 74 ILE CG2 C 13 17.057 0.400 A 74 ILE N N 15 121.062 0.400 A 75 LYS H H 1 7.946 0.020 A 75 LYS HA H 1 4.190 0.020 A 75 LYS HBx H 1 1.952 0.020 A 75 LYS HBy H 1 1.952 0.020 A 75 LYS HDx H 1 1.713 0.020 A 75 LYS HDy H 1 1.713 0.020 A 75 LYS HEx H 1 3.008 0.020 A 75 LYS HEy H 1 3.008 0.020 A 75 LYS HGx H 1 1.495 0.020 A 75 LYS HGy H 1 1.579 0.020 A 75 LYS C C 13 178.200 0.400 A 75 LYS CA C 13 58.275 0.400 A 75 LYS CB C 13 32.392 0.400 A 75 LYS CD C 13 29.028 0.400 A 75 LYS CE C 13 41.959 0.400 A 75 LYS CG C 13 24.599 0.400 A 75 LYS N N 15 120.853 0.400 A 76 GLN H H 1 8.057 0.020 A 76 GLN HA H 1 4.179 0.020 A 76 GLN HBx H 1 2.073 0.020 A 76 GLN HBy H 1 2.119 0.020 A 76 GLN HE21 H 1 7.461 0.020 A 76 GLN HE22 H 1 6.777 0.020 A 76 GLN HGx H 1 2.332 0.020 A 76 GLN HGy H 1 2.448 0.020 A 76 GLN C C 13 177.400 0.400 A 76 GLN CA C 13 57.855 0.400 A 76 GLN CB C 13 28.625 0.400 A 76 GLN CG C 13 33.893 0.400 A 76 GLN N N 15 118.317 0.400 A 76 GLN NE2 N 15 111.047 0.400 A 77 HIS H H 1 8.112 0.020 A 77 HIS HA H 1 4.499 0.020 A 77 HIS HBx H 1 3.290 0.020 A 77 HIS HBy H 1 3.367 0.020 A 77 HIS HD2 H 1 7.217 0.020 A 77 HIS HE1 H 1 8.225 0.020 A 77 HIS C C 13 176.302 0.400 A 77 HIS CA C 13 57.862 0.400 A 77 HIS CB C 13 29.230 0.400 A 77 HIS CD2 C 13 120.009 0.400 A 77 HIS CE1 C 13 137.209 0.400 A 77 HIS N N 15 118.217 0.400 A 77 HIS ND1 N 15 198.076 0.400 A 77 HIS NE2 N 15 177.853 0.400 A 78 GLU H H 1 8.288 0.020 A 78 GLU HA H 1 4.132 0.020 A 78 GLU HBx H 1 2.083 0.020 A 78 GLU HBy H 1 2.149 0.020 A 78 GLU HGx H 1 2.283 0.020 A 78 GLU HGy H 1 2.455 0.020 A 78 GLU C C 13 178.100 0.400 A 78 GLU CA C 13 58.105 0.400 A 78 GLU CB C 13 29.891 0.400 A 78 GLU CG C 13 36.330 0.400 A 78 GLU N N 15 119.890 0.400 A 79 GLU H H 1 8.247 0.020 A 79 GLU HA H 1 4.181 0.020 A 79 GLU HBx H 1 2.105 0.020 A 79 GLU HBy H 1 2.105 0.020 A 79 GLU HGx H 1 2.305 0.020 A 79 GLU HGy H 1 2.401 0.020 A 79 GLU C C 13 177.900 0.400 A 79 GLU CA C 13 57.837 0.400 A 79 GLU CB C 13 29.634 0.400 A 79 GLU CG C 13 36.144 0.400 A 79 GLU N N 15 120.492 0.400 A 80 VAL H H 1 8.013 0.020 A 80 VAL HA H 1 3.948 0.020 A 80 VAL HB H 1 2.169 0.020 A 80 VAL HGx% H 1 0.967 0.020 A 80 VAL HGy% H 1 1.047 0.020 A 80 VAL C C 13 177.858 0.400 A 80 VAL CA C 13 64.306 0.400 A 80 VAL CB C 13 32.062 0.400 A 80 VAL CGx C 13 21.080 0.400 A 80 VAL CGy C 13 21.578 0.400 A 80 VAL N N 15 120.378 0.400 A 81 GLU H H 1 8.180 0.020 A 81 GLU HA H 1 4.125 0.020 A 81 GLU HBx H 1 1.981 0.020 A 81 GLU HBy H 1 2.061 0.020 A 81 GLU HGx H 1 2.186 0.020 A 81 GLU HGy H 1 2.233 0.020 A 81 GLU C C 13 178.000 0.400 A 81 GLU CA C 13 57.963 0.400 A 81 GLU CB C 13 29.513 0.400 A 81 GLU CG C 13 36.116 0.400 A 81 GLU N N 15 121.435 0.400 A 82 LYS H H 1 8.137 0.020 A 82 LYS HA H 1 4.103 0.020 A 82 LYS HBx H 1 1.882 0.020 A 82 LYS HBy H 1 1.882 0.020 A 82 LYS HDx H 1 1.689 0.020 A 82 LYS HDy H 1 1.689 0.020 A 82 LYS HEx H 1 2.989 0.020 A 82 LYS HEy H 1 2.989 0.020 A 82 LYS HGx H 1 1.436 0.020 A 82 LYS HGy H 1 1.552 0.020 A 82 LYS C C 13 177.900 0.400 A 82 LYS CA C 13 58.300 0.400 A 82 LYS CB C 13 32.493 0.400 A 82 LYS CD C 13 29.186 0.400 A 82 LYS CE C 13 41.969 0.400 A 82 LYS CG C 13 24.831 0.400 A 82 LYS N N 15 120.982 0.400 A 83 ASP H H 1 8.150 0.020 A 83 ASP HA H 1 4.536 0.020 A 83 ASP HBx H 1 2.731 0.020 A 83 ASP HBy H 1 2.731 0.020 A 83 ASP C C 13 177.300 0.400 A 83 ASP CA C 13 55.647 0.400 A 83 ASP CB C 13 40.934 0.400 A 83 ASP N N 15 120.258 0.400 A 84 LYS H H 1 8.090 0.020 A 84 LYS HA H 1 4.112 0.020 A 84 LYS HBx H 1 1.885 0.020 A 84 LYS HBy H 1 1.885 0.020 A 84 LYS HDx H 1 1.682 0.020 A 84 LYS HDy H 1 1.682 0.020 A 84 LYS HEx H 1 2.959 0.020 A 84 LYS HEy H 1 2.959 0.020 A 84 LYS HGx H 1 1.437 0.020 A 84 LYS HGy H 1 1.556 0.020 A 84 LYS C C 13 178.200 0.400 A 84 LYS CA C 13 58.122 0.400 A 84 LYS CB C 13 32.512 0.400 A 84 LYS CD C 13 29.083 0.400 A 84 LYS CE C 13 41.956 0.400 A 84 LYS CG C 13 24.816 0.400 A 84 LYS N N 15 120.562 0.400 A 85 LYS H H 1 8.081 0.020 A 85 LYS HA H 1 4.177 0.020 A 85 LYS HBx H 1 1.860 0.020 A 85 LYS HBy H 1 1.860 0.020 A 85 LYS HDx H 1 1.689 0.020 A 85 LYS HDy H 1 1.689 0.020 A 85 LYS HEx H 1 2.964 0.020 A 85 LYS HEy H 1 2.964 0.020 A 85 LYS HGx H 1 1.442 0.020 A 85 LYS HGy H 1 1.519 0.020 A 85 LYS C C 13 177.600 0.400 A 85 LYS CA C 13 57.765 0.400 A 85 LYS CB C 13 32.577 0.400 A 85 LYS CD C 13 29.146 0.400 A 85 LYS CE C 13 41.956 0.400 A 85 LYS CG C 13 24.924 0.400 A 85 LYS N N 15 119.911 0.400 A 86 ALA H H 1 8.024 0.020 A 86 ALA HA H 1 4.238 0.020 A 86 ALA HB% H 1 1.465 0.020 A 86 ALA C C 13 178.900 0.400 A 86 ALA CA C 13 53.367 0.400 A 86 ALA CB C 13 18.584 0.400 A 86 ALA N N 15 123.061 0.400 A 87 LYS H H 1 8.065 0.020 A 87 LYS HA H 1 4.210 0.020 A 87 LYS HBx H 1 1.817 0.020 A 87 LYS HBy H 1 1.883 0.020 A 87 LYS HDx H 1 1.683 0.020 A 87 LYS HDy H 1 1.683 0.020 A 87 LYS HEx H 1 2.993 0.020 A 87 LYS HEy H 1 2.993 0.020 A 87 LYS HGx H 1 1.441 0.020 A 87 LYS HGy H 1 1.524 0.020 A 87 LYS C C 13 177.400 0.400 A 87 LYS CA C 13 57.048 0.400 A 87 LYS CB C 13 32.673 0.400 A 87 LYS CD C 13 28.954 0.400 A 87 LYS CE C 13 41.969 0.400 A 87 LYS CG C 13 25.002 0.400 A 87 LYS N N 15 119.023 0.400 A 88 GLN H H 1 8.111 0.020 A 88 GLN HA H 1 4.273 0.020 A 88 GLN HBx H 1 2.068 0.020 A 88 GLN HBy H 1 2.126 0.020 A 88 GLN HE2y H 1 7.525 0.020 A 88 GLN HE2x H 1 6.889 0.020 A 88 GLN HGx H 1 2.400 0.020 A 88 GLN HGy H 1 2.437 0.020 A 88 GLN C C 13 176.469 0.400 A 88 GLN CA C 13 56.289 0.400 A 88 GLN CB C 13 29.054 0.400 A 88 GLN CG C 13 33.743 0.400 A 88 GLN N N 15 120.108 0.400 A 88 GLN NE2 N 15 112.024 0.400 A 89 GLN H H 1 8.282 0.020 A 89 GLN HA H 1 4.279 0.020 A 89 GLN HBx H 1 2.041 0.020 A 89 GLN HBy H 1 2.128 0.020 A 89 GLN HE2y H 1 7.538 0.020 A 89 GLN HE2x H 1 6.890 0.020 A 89 GLN HGx H 1 2.403 0.020 A 89 GLN HGy H 1 2.403 0.020 A 89 GLN C C 13 176.325 0.400 A 89 GLN CA C 13 56.128 0.400 A 89 GLN CB C 13 29.178 0.400 A 89 GLN CG C 13 33.747 0.400 A 89 GLN N N 15 120.855 0.400 A 89 GLN NE2 N 15 112.361 0.400 A 90 LYS H H 1 8.273 0.020 A 90 LYS HA H 1 4.342 0.020 A 90 LYS HBx H 1 1.809 0.020 A 90 LYS HBy H 1 1.868 0.020 A 90 LYS HDx H 1 1.682 0.020 A 90 LYS HDy H 1 1.682 0.020 A 90 LYS HEx H 1 2.993 0.020 A 90 LYS HEy H 1 2.993 0.020 A 90 LYS HGx H 1 1.434 0.020 A 90 LYS HGy H 1 1.493 0.020 A 90 LYS C C 13 176.800 0.400 A 90 LYS CA C 13 56.607 0.400 A 90 LYS CB C 13 32.682 0.400 A 90 LYS CD C 13 28.921 0.400 A 90 LYS CE C 13 41.985 0.400 A 90 LYS CG C 13 24.674 0.400 A 90 LYS N N 15 121.993 0.400 A 91 THR H H 1 8.124 0.020 A 91 THR HA H 1 4.297 0.020 A 91 THR HB H 1 4.199 0.020 A 91 THR HG2% H 1 1.208 0.020 A 91 THR C C 13 174.500 0.400 A 91 THR CA C 13 61.925 0.400 A 91 THR CB C 13 69.608 0.400 A 91 THR CG2 C 13 21.506 0.400 A 91 THR N N 15 115.274 0.400 A 92 LEU H H 1 8.226 0.020 A 92 LEU HA H 1 4.355 0.020 A 92 LEU HBx H 1 1.586 0.020 A 92 LEU HBy H 1 1.647 0.020 A 92 LEU HDx% H 1 0.869 0.020 A 92 LEU HDy% H 1 0.923 0.020 A 92 LEU HG H 1 1.630 0.020 A 92 LEU C C 13 177.200 0.400 A 92 LEU CA C 13 55.145 0.400 A 92 LEU CB C 13 42.221 0.400 A 92 LEU CDx C 13 23.396 0.400 A 92 LEU CDy C 13 24.764 0.400 A 92 LEU CG C 13 26.830 0.400 A 92 LEU N N 15 124.868 0.400 A 93 LYS H H 1 8.316 0.020 A 93 LYS HA H 1 4.316 0.020 A 93 LYS HBx H 1 1.759 0.020 A 93 LYS HBy H 1 1.831 0.020 A 93 LYS HDx H 1 1.688 0.020 A 93 LYS HDy H 1 1.688 0.020 A 93 LYS HEx H 1 2.991 0.020 A 93 LYS HEy H 1 2.991 0.020 A 93 LYS HGx H 1 1.424 0.020 A 93 LYS HGy H 1 1.424 0.020 A 93 LYS C C 13 176.600 0.400 A 93 LYS CA C 13 56.127 0.400 A 93 LYS CB C 13 32.850 0.400 A 93 LYS CD C 13 28.939 0.400 A 93 LYS CE C 13 41.974 0.400 A 93 LYS CG C 13 24.728 0.400 A 93 LYS N N 15 122.411 0.400 A 94 GLN H H 1 8.467 0.020 A 94 GLN HA H 1 4.339 0.020 A 94 GLN HBx H 1 2.020 0.020 A 94 GLN HBy H 1 2.128 0.020 A 94 GLN HE2y H 1 7.590 0.020 A 94 GLN HE2x H 1 6.868 0.020 A 94 GLN HGx H 1 2.385 0.020 A 94 GLN HGy H 1 2.385 0.020 A 94 GLN C C 13 176.100 0.400 A 94 GLN CA C 13 55.926 0.400 A 94 GLN CB C 13 29.315 0.400 A 94 GLN CG C 13 33.709 0.400 A 94 GLN N N 15 122.217 0.400 A 94 GLN NE2 N 15 112.492 0.400 A 95 SER H H 1 8.382 0.020 A 95 SER HA H 1 4.440 0.020 A 95 SER HBx H 1 3.851 0.020 A 95 SER HBy H 1 3.907 0.020 A 95 SER C C 13 174.400 0.400 A 95 SER CA C 13 58.352 0.400 A 95 SER CB C 13 63.638 0.400 A 95 SER N N 15 116.617 0.400 A 96 ASP H H 1 8.397 0.020 A 96 ASP HA H 1 4.683 0.020 A 96 ASP HBx H 1 2.714 0.020 A 96 ASP HBy H 1 2.714 0.020 A 96 ASP C C 13 176.300 0.400 A 96 ASP CA C 13 54.319 0.400 A 96 ASP CB C 13 40.933 0.400 A 96 ASP N N 15 122.423 0.400 A 97 THR H H 1 8.068 0.020 A 97 THR HA H 1 4.295 0.020 A 97 THR HB H 1 4.194 0.020 A 97 THR HG2% H 1 1.210 0.020 A 97 THR C C 13 174.300 0.400 A 97 THR CA C 13 61.904 0.400 A 97 THR CB C 13 69.644 0.400 A 97 THR CG2 C 13 21.493 0.400 A 97 THR N N 15 114.488 0.400 A 98 LYS H H 1 8.351 0.020 A 98 LYS HA H 1 4.382 0.020 A 98 LYS HBx H 1 1.772 0.020 A 98 LYS HBy H 1 1.857 0.020 A 98 LYS HDx H 1 1.685 0.020 A 98 LYS HDy H 1 1.685 0.020 A 98 LYS HGx H 1 1.413 0.020 A 98 LYS HGy H 1 1.469 0.020 A 98 LYS C C 13 175.600 0.400 A 98 LYS CA C 13 56.242 0.400 A 98 LYS CB C 13 32.744 0.400 A 98 LYS CD C 13 28.884 0.400 A 98 LYS CE C 13 42.026 0.400 A 98 LYS CG C 13 24.587 0.400 A 98 LYS N N 15 124.993 0.400 A 99 VAL H H 1 7.753 0.020 A 99 VAL HA H 1 4.031 0.020 A 99 VAL HB H 1 2.067 0.020 A 99 VAL HGx% H 1 0.899 0.020 A 99 VAL HGy% H 1 0.876 0.020 A 99 VAL C C 13 181.073 0.400 A 99 VAL CA C 13 63.529 0.400 A 99 VAL CB C 13 33.049 0.400 A 99 VAL CGy C 13 21.438 0.400 A 99 VAL CGx C 13 19.892 0.400 A 99 VAL N N 15 125.707 0.400 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 12 THR H A 12 THR HG2% 1.0 0.0 5.10 2 2 A 12 THR H A 11 ALA HB% 1.0 0.0 5.41 3 3 A 14 THR H A 14 THR HG2% 1.0 0.0 4.74 4 4 A 14 THR H A 13 ASP HBx 1.0 0.0 5.78 5 5 A 14 THR H A 13 ASP HBy 1.0 0.0 5.78 6 6 A 15 GLY H A 16 LYS H 1.0 0.0 5.00 7 7 A 14 THR H A 15 GLY H 1.0 0.0 5.51 8 8 A 16 LYS H A 16 LYS HBx 1.0 0.0 3.69 9 8 A 16 LYS H A 16 LYS HBy 1.0 0.0 3.69 10 9 A 16 LYS H A 17 ARG H 1.0 0.0 4.65 11 10 A 17 ARG H A 17 ARG HGx 1.0 0.0 5.07 12 11 A 17 ARG H A 17 ARG HGy 1.0 0.0 5.07 13 12 A 17 ARG H A 17 ARG HBx 1.0 0.0 3.82 14 12 A 17 ARG H A 17 ARG HBy 1.0 0.0 3.82 15 13 A 18 GLU H A 17 ARG HBx 1.0 0.0 4.02 16 13 A 17 ARG HBy A 18 GLU H 1.0 0.0 4.02 17 14 A 18 GLU H A 18 GLU HBx 1.0 0.0 3.82 18 14 A 18 GLU H A 18 GLU HBy 1.0 0.0 3.82 19 15 A 18 GLU H A 18 GLU HGx 1.0 0.0 4.30 20 15 A 18 GLU H A 18 GLU HGy 1.0 0.0 4.30 21 16 A 18 GLU H A 17 ARG HGy 1.0 0.0 5.78 22 17 A 18 GLU H A 15 GLY HAx 1.0 0.0 5.22 23 17 A 18 GLU H A 15 GLY HAy 1.0 0.0 5.22 24 18 A 18 GLU H A 19 LYS H 1.0 0.0 4.49 25 19 A 17 ARG H A 18 GLU H 1.0 0.0 4.58 26 20 A 84 LYS H A 84 LYS HGx 1.0 0.0 5.78 27 21 A 84 LYS H A 84 LYS HGy 1.0 0.0 5.78 28 22 A 19 LYS H A 19 LYS HBx 1.0 0.0 3.71 29 22 A 19 LYS H A 19 LYS HBy 1.0 0.0 3.71 30 23 A 84 LYS H A 84 LYS HBx 1.0 0.0 3.95 31 23 A 84 LYS H A 84 LYS HBy 1.0 0.0 3.95 32 24 A 19 LYS H A 18 GLU HBx 1.0 0.0 4.66 33 24 A 18 GLU HBy A 19 LYS H 1.0 0.0 4.66 34 25 A 20 GLN H A 19 LYS HBx 1.0 0.0 4.11 35 25 A 19 LYS HBy A 20 GLN H 1.0 0.0 4.11 36 26 A 20 GLN H A 20 GLN HBx 1.0 0.0 3.76 37 26 A 20 GLN H A 20 GLN HBy 1.0 0.0 3.76 38 27 A 20 GLN H A 20 GLN HGx 1.0 0.0 4.86 39 28 A 20 GLN H A 20 GLN HGy 1.0 0.0 4.86 40 29 A 21 LEU H A 21 LEU HG 1.0 0.0 5.02 41 30 A 21 LEU H A 21 LEU HBx 1.0 0.0 4.26 42 31 A 21 LEU H A 21 LEU HBy 1.0 0.0 4.26 43 32 A 22 GLN H A 21 LEU HBy 1.0 0.0 4.88 44 33 A 22 GLN H A 21 LEU HBx 1.0 0.0 4.88 45 34 A 22 GLN H A 22 GLN HBy 1.0 0.0 4.21 46 35 A 22 GLN H A 22 GLN HBx 1.0 0.0 4.21 47 36 A 22 GLN H A 23 GLN H 1.0 0.0 4.28 48 37 A 23 GLN H A 23 GLN HBy 1.0 0.0 4.05 49 38 A 24 TRP H A 23 GLN HBx 1.0 0.0 4.74 50 39 A 24 TRP H A 24 TRP HBx 1.0 0.0 4.30 51 40 A 24 TRP H A 24 TRP HBy 1.0 0.0 4.30 52 41 A 24 TRP H A 24 TRP HE3 1.0 0.0 5.49 53 42 A 24 TRP H A 25 LYS H 1.0 0.0 4.51 54 43 A 24 TRP HE1 A 28 LEU HDx% 1.0 0.0 4.94 55 44 A 24 TRP HE1 A 28 LEU HDy% 1.0 0.0 4.94 56 45 A 24 TRP HE1 A 28 LEU HG 1.0 0.0 5.13 57 46 A 24 TRP HE1 A 24 TRP HA 1.0 0.0 5.53 58 47 A 25 LYS H A 25 LYS HGx 1.0 0.0 5.04 59 48 A 25 LYS H A 25 LYS HDx 1.0 0.0 5.58 60 49 A 25 LYS H A 25 LYS HGy 1.0 0.0 5.04 61 50 A 25 LYS H A 24 TRP HBx 1.0 0.0 5.15 62 51 A 25 LYS H A 24 TRP HBy 1.0 0.0 5.15 63 52 A 25 LYS HB3 A 26 ASN H 1.0 0.0 4.98 64 53 A 26 ASN H A 25 LYS HB2 1.0 0.0 4.70 65 54 A 26 ASN H A 26 ASN HBx 1.0 0.0 4.35 66 55 A 26 ASN H A 26 ASN HBy 1.0 0.0 4.35 67 56 A 25 LYS H A 26 ASN H 1.0 0.0 4.56 68 57 A 27 ASN H A 26 ASN HBx 1.0 0.0 4.68 69 58 A 27 ASN H A 26 ASN HBy 1.0 0.0 4.68 70 59 A 26 ASN H A 27 ASN H 1.0 0.0 4.18 71 60 A 27 ASN H A 28 LEU H 1.0 0.0 4.43 72 61 A 28 LEU HG A 28 LEU H 1.0 0.0 4.80 73 62 A 28 LEU H A 27 ASN HBy 1.0 0.0 5.47 74 63 A 28 LEU H A 25 LYS HA 1.0 0.0 5.47 75 64 A 29 LYS H A 28 LEU HDy% 1.0 0.0 5.64 76 65 A 29 LYS H A 29 LYS HGx 1.0 0.0 5.35 77 66 A 29 LYS H A 28 LEU HB3 1.0 0.0 5.54 78 67 A 28 LEU HG A 29 LYS H 1.0 0.0 5.63 79 68 A 29 LYS H A 29 LYS HDy 1.0 0.0 5.78 80 69 A 29 LYS H A 28 LEU HB2 1.0 0.0 4.37 81 70 A 29 LYS H A 26 ASN HA 1.0 0.0 5.06 82 71 A 28 LEU H A 29 LYS H 1.0 0.0 5.01 83 72 A 30 ASN H A 29 LYS HBx 1.0 0.0 5.35 84 73 A 30 ASN H A 29 LYS HBy 1.0 0.0 5.35 85 74 A 30 ASN H A 30 ASN HBx 1.0 0.0 3.73 86 74 A 30 ASN H A 30 ASN HBy 1.0 0.0 3.73 87 75 A 29 LYS H A 30 ASN H 1.0 0.0 4.38 88 76 A 30 ASN H A 31 ASP H 1.0 0.0 4.29 89 77 A 32 VAL H A 35 THR HG2% 1.0 0.0 5.47 90 78 A 32 VAL H A 32 VAL HB 1.0 0.0 4.24 91 79 A 32 VAL H A 31 ASP HB2 1.0 0.0 4.35 92 80 A 32 VAL H A 31 ASP HB3 1.0 0.0 5.05 93 81 A 32 VAL H A 29 LYS HA 1.0 0.0 4.97 94 82 A 32 VAL H A 33 ASP H 1.0 0.0 4.49 95 83 A 33 ASP H A 32 VAL HGx% 1.0 0.0 4.91 96 84 A 35 THR HG2% A 33 ASP H 1.0 0.0 5.78 97 85 A 32 VAL HB A 33 ASP H 1.0 0.0 4.45 98 86 A 35 THR HG2% A 34 ASN H 1.0 0.0 5.21 99 87 A 34 ASN H A 34 ASN HB2 1.0 0.0 3.95 100 88 A 34 ASN H A 33 ASP HBx 1.0 0.0 4.97 101 89 A 34 ASN H A 33 ASP HBy 1.0 0.0 4.97 102 90 A 34 ASN H A 34 ASN HB3 1.0 0.0 4.24 103 91 A 34 ASN H A 31 ASP HA 1.0 0.0 4.63 104 92 A 34 ASN H A 35 THR HG1 1.0 0.0 5.63 105 93 A 33 ASP H A 34 ASN H 1.0 0.0 4.20 106 94 A 31 ASP HA A 34 ASN HD22 1.0 0.0 5.58 107 95 A 35 THR HG2% A 35 THR H 1.0 0.0 3.85 108 96 A 35 THR H A 32 VAL HA 1.0 0.0 4.88 109 97 A 34 ASN HB2 A 35 THR H 1.0 0.0 5.30 110 98 A 35 THR H A 42 LYS HEy 1.0 0.0 5.23 111 99 A 35 THR H A 42 LYS HEx 1.0 0.0 5.23 112 100 A 31 ASP HA A 35 THR H 1.0 0.0 5.47 113 101 A 35 THR HG1 A 35 THR H 1.0 0.0 3.85 114 102 A 33 ASP H A 35 THR H 1.0 0.0 5.60 115 103 A 35 THR H A 36 ILE H 1.0 0.0 5.78 116 104 A 36 ILE H A 36 ILE HG1x 1.0 0.0 4.92 117 105 A 36 ILE H A 35 THR HB 1.0 0.0 4.40 118 106 A 37 LEU H A 37 LEU HB2 1.0 0.0 4.11 119 107 A 37 LEU H A 42 LYS HEx 1.0 0.0 5.42 120 108 A 37 LEU H A 42 LYS HEy 1.0 0.0 5.42 121 109 A 35 THR HB A 37 LEU H 1.0 0.0 4.79 122 110 A 37 LEU H A 35 THR HA 1.0 0.0 5.49 123 111 A 35 THR HG1 A 37 LEU H 1.0 0.0 5.04 124 112 A 36 ILE H A 37 LEU H 1.0 0.0 4.81 125 113 A 37 LEU HDx% A 38 SER H 1.0 0.0 4.64 126 114 A 38 SER H A 37 LEU HDy% 1.0 0.0 4.84 127 115 A 37 LEU HB2 A 38 SER H 1.0 0.0 4.77 128 116 A 38 SER H A 37 LEU HB3 1.0 0.0 4.32 129 117 A 38 SER H A 41 GLN HBx 1.0 0.0 4.74 130 118 A 38 SER H A 41 GLN HBy 1.0 0.0 4.74 131 119 A 38 SER H A 41 GLN HGx 1.0 0.0 4.88 132 119 A 38 SER H A 41 GLN HGy 1.0 0.0 4.88 133 120 A 37 LEU H A 38 SER H 1.0 0.0 5.51 134 121 A 38 SER H A 41 GLN H 1.0 0.0 5.31 135 122 A 40 GLU H A 40 GLU HBx 1.0 0.0 4.38 136 123 A 40 GLU H A 40 GLU HBy 1.0 0.0 4.38 137 124 A 40 GLU H A 39 HIS HBx 1.0 0.0 4.68 138 125 A 40 GLU H A 38 SER HBx 1.0 0.0 5.22 139 126 A 40 GLU H A 38 SER HBy 1.0 0.0 5.22 140 127 A 41 GLN H A 40 GLU HBy 1.0 0.0 4.75 141 128 A 41 GLN H A 40 GLU HBx 1.0 0.0 4.75 142 129 A 41 GLN H A 41 GLN HGx 1.0 0.0 3.99 143 129 A 41 GLN HGy A 41 GLN H 1.0 0.0 3.99 144 130 A 41 GLN H A 40 GLU H 1.0 0.0 4.51 145 131 A 41 GLN H A 42 LYS H 1.0 0.0 4.37 146 132 A 37 LEU HDx% A 41 GLN HE21 1.0 0.0 5.75 147 133 A 37 LEU HDx% A 42 LYS H 1.0 0.0 5.38 148 134 A 37 LEU HB3 A 42 LYS H 1.0 0.0 5.53 149 135 A 42 LYS H A 41 GLN HBx 1.0 0.0 4.83 150 136 A 42 LYS H A 41 GLN HBy 1.0 0.0 4.83 151 137 A 43 ASN H A 42 LYS HBx 1.0 0.0 4.83 152 138 A 43 ASN H A 42 LYS HBy 1.0 0.0 4.83 153 139 A 43 ASN H A 43 ASN HBx 1.0 0.0 4.32 154 140 A 43 ASN H A 40 GLU HA 1.0 0.0 4.90 155 141 A 43 ASN H A 39 HIS HA 1.0 0.0 5.48 156 142 A 43 ASN H A 41 GLN HA 1.0 0.0 5.78 157 143 A 42 LYS H A 43 ASN H 1.0 0.0 4.32 158 144 A 40 GLU HA A 43 ASN HD21 1.0 0.0 5.25 159 145 A 40 GLU HA A 43 ASN HD22 1.0 0.0 5.53 160 146 A 44 GLU H A 44 GLU HBx 1.0 0.0 4.08 161 147 A 44 GLU H A 44 GLU HBy 1.0 0.0 4.08 162 148 A 41 GLN HA A 44 GLU H 1.0 0.0 4.57 163 149 A 32 VAL HGx% A 45 PHE H 1.0 0.0 5.57 164 150 A 45 PHE H A 44 GLU HBx 1.0 0.0 4.65 165 151 A 45 PHE H A 44 GLU HBy 1.0 0.0 4.65 166 152 A 45 PHE H A 45 PHE HB3 1.0 0.0 4.40 167 153 A 45 PHE H A 45 PHE HB2 1.0 0.0 4.26 168 154 A 45 PHE H A 45 PHE HD% 1.0 0.0 4.63 169 155 A 44 GLU H A 45 PHE H 1.0 0.0 4.26 170 156 A 45 PHE H A 46 LYS H 1.0 0.0 4.25 171 157 A 46 LYS H A 46 LYS HBx 1.0 0.0 4.41 172 158 A 46 LYS H A 46 LYS HBy 1.0 0.0 4.41 173 159 A 45 PHE HB3 A 46 LYS H 1.0 0.0 4.97 174 160 A 45 PHE HB2 A 46 LYS H 1.0 0.0 5.08 175 161 A 46 LYS H A 43 ASN HA 1.0 0.0 5.00 176 162 A 47 THR H A 46 LYS HBx 1.0 0.0 5.09 177 163 A 47 THR H A 46 LYS HBy 1.0 0.0 5.09 178 164 A 45 PHE HB3 A 47 THR H 1.0 0.0 5.70 179 165 A 45 PHE HB2 A 47 THR H 1.0 0.0 5.78 180 166 A 47 THR H A 47 THR HB 1.0 0.0 3.95 181 167 A 47 THR H A 48 LYS H 1.0 0.0 4.25 182 168 A 46 LYS H A 47 THR H 1.0 0.0 4.27 183 169 A 48 LYS H A 48 LYS HDx 1.0 0.0 5.42 184 170 A 48 LYS H A 45 PHE HA 1.0 0.0 4.75 185 171 A 47 THR HB A 48 LYS H 1.0 0.0 4.35 186 172 A 48 LYS H A 49 ILE H 1.0 0.0 4.47 187 173 A 49 ILE H A 49 ILE HG1x 1.0 0.0 5.25 188 174 A 49 ILE H A 49 ILE HB 1.0 0.0 4.18 189 175 A 49 ILE H A 49 ILE HG1y 1.0 0.0 5.25 190 176 A 49 ILE H A 46 LYS HA 1.0 0.0 5.41 191 177 A 49 ILE HD1% A 50 ASP H 1.0 0.0 5.26 192 178 A 49 ILE HB A 50 ASP H 1.0 0.0 4.38 193 179 A 50 ASP H A 50 ASP HBx 1.0 0.0 4.42 194 180 A 50 ASP H A 50 ASP HBy 1.0 0.0 4.42 195 181 A 46 LYS HA A 50 ASP H 1.0 0.0 5.67 196 182 A 50 ASP H A 47 THR HA 1.0 0.0 4.82 197 183 A 50 ASP H A 51 GLU H 1.0 0.0 4.35 198 184 A 49 ILE H A 50 ASP H 1.0 0.0 4.32 199 185 A 51 GLU H A 47 THR HG2% 1.0 0.0 5.26 200 186 A 51 GLU H A 51 GLU HBx 1.0 0.0 4.38 201 187 A 51 GLU H A 51 GLU HBy 1.0 0.0 4.38 202 188 A 51 GLU H A 51 GLU HGy 1.0 0.0 4.64 203 189 A 51 GLU H A 50 ASP HBx 1.0 0.0 5.13 204 190 A 51 GLU H A 50 ASP HBy 1.0 0.0 5.13 205 191 A 51 GLU H A 48 LYS HA 1.0 0.0 4.84 206 192 A 52 THR H A 61 LEU HDx% 1.0 0.0 5.54 207 193 A 52 THR H A 52 THR HG2% 1.0 0.0 3.93 208 194 A 52 THR H A 51 GLU HBx 1.0 0.0 5.13 209 195 A 52 THR H A 51 GLU HBy 1.0 0.0 5.13 210 196 A 52 THR H A 49 ILE HA 1.0 0.0 5.04 211 197 A 52 THR H A 52 THR HB 1.0 0.0 3.86 212 198 A 52 THR H A 52 THR HG1 1.0 0.0 4.34 213 199 A 51 GLU H A 52 THR H 1.0 0.0 3.84 214 200 A 50 ASP H A 52 THR H 1.0 0.0 5.50 215 201 A 49 ILE H A 52 THR H 1.0 0.0 5.75 216 202 A 52 THR H A 53 ASN H 1.0 0.0 5.42 217 203 A 54 ASP H A 58 LEU HG 1.0 0.0 5.54 218 204 A 54 ASP H A 57 ALA HB% 1.0 0.0 4.49 219 205 A 54 ASP H A 54 ASP HBx 1.0 0.0 4.18 220 206 A 54 ASP H A 54 ASP HBy 1.0 0.0 4.18 221 207 A 52 THR HB A 54 ASP H 1.0 0.0 5.66 222 208 A 54 ASP H A 52 THR HA 1.0 0.0 4.78 223 209 A 52 THR HG1 A 54 ASP H 1.0 0.0 5.24 224 210 A 53 ASN H A 54 ASP H 1.0 0.0 4.17 225 211 A 56 ASP H A 59 LEU HDx% 1.0 0.0 5.67 226 212 A 57 ALA HB% A 56 ASP H 1.0 0.0 4.79 227 213 A 56 ASP H A 56 ASP HBx 1.0 0.0 4.07 228 214 A 56 ASP H A 56 ASP HBy 1.0 0.0 4.07 229 215 A 56 ASP H A 57 ALA H 1.0 0.0 3.65 230 216 A 56 ASP H A 55 SER H 1.0 0.0 4.55 231 217 A 57 ALA H A 60 GLU HBx 1.0 0.0 5.73 232 217 A 57 ALA H A 60 GLU HBy 1.0 0.0 5.73 233 218 A 57 ALA H A 56 ASP HBx 1.0 0.0 5.03 234 219 A 58 LEU HG A 58 LEU H 1.0 0.0 4.39 235 220 A 82 LYS H A 82 LYS HGx 1.0 0.0 5.28 236 221 A 59 LEU H A 58 LEU HBx 1.0 0.0 5.07 237 222 A 59 LEU H A 59 LEU HB2 1.0 0.0 3.92 238 223 A 59 LEU H A 56 ASP HA 1.0 0.0 5.33 239 224 A 83 ASP HA A 85 LYS H 1.0 0.0 5.78 240 225 A 60 GLU H A 61 LEU HDy% 1.0 0.0 5.78 241 226 A 57 ALA HB% A 60 GLU H 1.0 0.0 5.68 242 227 A 60 GLU H A 59 LEU HB3 1.0 0.0 4.95 243 228 A 60 GLU H A 60 GLU HBx 1.0 0.0 3.75 244 228 A 60 GLU HBy A 60 GLU H 1.0 0.0 3.75 245 229 A 59 LEU HB2 A 60 GLU H 1.0 0.0 4.45 246 230 A 60 GLU H A 60 GLU HGy 1.0 0.0 5.04 247 231 A 60 GLU H A 61 LEU H 1.0 0.0 4.38 248 232 A 59 LEU H A 60 GLU H 1.0 0.0 4.09 249 233 A 61 LEU H A 61 LEU HG 1.0 0.0 4.29 250 234 A 61 LEU H A 60 GLU HGy 1.0 0.0 5.62 251 235 A 61 LEU H A 58 LEU HA 1.0 0.0 4.94 252 236 A 61 LEU HB2 A 62 GLU H 1.0 0.0 4.90 253 237 A 61 LEU H A 62 GLU H 1.0 0.0 4.53 254 238 A 63 ASN H A 62 GLU HBx 1.0 0.0 4.92 255 239 A 63 ASN H A 62 GLU HGx 1.0 0.0 5.43 256 239 A 63 ASN H A 62 GLU HGy 1.0 0.0 5.43 257 240 A 63 ASN H A 62 GLU HBy 1.0 0.0 4.92 258 241 A 63 ASN H A 63 ASN HBy 1.0 0.0 4.11 259 242 A 63 ASN H A 64 GLN H 1.0 0.0 4.32 260 243 A 60 GLU HA A 63 ASN HD22 1.0 0.0 5.58 261 244 A 64 GLN H A 61 LEU HA 1.0 0.0 4.62 262 245 A 64 GLN HE21 A 60 GLU HBx 1.0 0.0 5.76 263 245 A 60 GLU HBy A 64 GLN HE21 1.0 0.0 5.76 264 246 A 64 GLN HE22 A 60 GLU HGy 1.0 0.0 5.58 265 247 A 65 PHE H A 64 GLN HBy 1.0 0.0 5.24 266 248 A 61 LEU HA A 65 PHE H 1.0 0.0 5.78 267 249 A 65 PHE H A 65 PHE HD% 1.0 0.0 4.75 268 250 A 65 PHE H A 45 PHE HZ 1.0 0.0 5.78 269 251 A 65 PHE H A 45 PHE HE% 1.0 0.0 5.63 270 252 A 65 PHE H A 66 ASN H 1.0 0.0 4.74 271 253 A 64 GLN H A 65 PHE H 1.0 0.0 4.49 272 254 A 66 ASN H A 62 GLU HA 1.0 0.0 5.78 273 255 A 65 PHE HD% A 66 ASN H 1.0 0.0 5.57 274 256 A 66 ASN H A 66 ASN HD2y 1.0 0.0 5.78 275 257 A 66 ASN H A 66 ASN HD2x 1.0 0.0 5.78 276 258 A 66 ASN HD2y A 62 GLU HGx 1.0 0.0 5.11 277 258 A 62 GLU HGy A 66 ASN HD2y 1.0 0.0 5.11 278 259 A 66 ASN HD2x A 62 GLU HGx 1.0 0.0 5.11 279 259 A 62 GLU HGy A 66 ASN HD2x 1.0 0.0 5.11 280 260 A 67 GLU H A 67 GLU HBx 1.0 0.0 4.19 281 261 A 67 GLU H A 67 GLU HBy 1.0 0.0 4.19 282 262 A 67 GLU H A 67 GLU HGx 1.0 0.0 5.01 283 263 A 67 GLU H A 67 GLU HGy 1.0 0.0 5.01 284 264 A 67 GLU H A 66 ASN HB3 1.0 0.0 5.20 285 265 A 67 GLU H A 66 ASN HB2 1.0 0.0 5.10 286 266 A 67 GLU H A 65 PHE HA 1.0 0.0 5.78 287 267 A 67 GLU H A 64 GLN HA 1.0 0.0 5.27 288 268 A 67 GLU H A 63 ASN HA 1.0 0.0 5.28 289 269 A 66 ASN H A 67 GLU H 1.0 0.0 4.54 290 270 A 68 THR H A 71 LEU HDx% 1.0 0.0 5.60 291 271 A 68 THR H A 67 GLU HBx 1.0 0.0 4.81 292 272 A 68 THR H A 67 GLU HBy 1.0 0.0 4.81 293 273 A 68 THR H A 67 GLU HGx 1.0 0.0 5.78 294 274 A 95 SER H A 94 GLN HGx 1.0 0.0 5.63 295 274 A 94 GLN HGy A 95 SER H 1.0 0.0 5.63 296 275 A 64 GLN HA A 68 THR H 1.0 0.0 5.34 297 276 A 68 THR H A 68 THR HB 1.0 0.0 4.22 298 277 A 68 THR H A 66 ASN HA 1.0 0.0 5.64 299 278 A 61 LEU HDx% A 62 GLU H 1.0 0.0 5.78 300 279 A 62 GLU H A 61 LEU HB3 1.0 0.0 5.28 301 280 A 69 ASN H A 69 ASN HB2 1.0 0.0 4.37 302 281 A 65 PHE HA A 69 ASN H 1.0 0.0 5.44 303 282 A 68 THR HB A 69 ASN H 1.0 0.0 4.49 304 283 A 70 ARG H A 70 ARG HBx 1.0 0.0 4.38 305 284 A 70 ARG H A 70 ARG HBy 1.0 0.0 4.38 306 285 A 69 ASN HB2 A 70 ARG H 1.0 0.0 5.47 307 286 A 70 ARG H A 69 ASN HB3 1.0 0.0 4.98 308 287 A 70 ARG H A 67 GLU HA 1.0 0.0 4.78 309 288 A 71 LEU H A 71 LEU HG 1.0 0.0 4.26 310 289 A 71 LEU H A 70 ARG HBx 1.0 0.0 4.78 311 290 A 71 LEU H A 70 ARG HBy 1.0 0.0 4.78 312 291 A 71 LEU H A 68 THR HA 1.0 0.0 5.53 313 292 A 67 GLU HA A 71 LEU H 1.0 0.0 5.22 314 293 A 72 LEU H A 71 LEU HBx 1.0 0.0 5.40 315 294 A 72 LEU H A 72 LEU HG 1.0 0.0 4.17 316 295 A 72 LEU HDy% A 73 HIS H 1.0 0.0 5.47 317 296 A 73 HIS H A 72 LEU HB3 1.0 0.0 5.60 318 297 A 73 HIS H A 72 LEU HB2 1.0 0.0 4.91 319 298 A 73 HIS H A 74 ILE HB 1.0 0.0 5.62 320 299 A 73 HIS H A 74 ILE H 1.0 0.0 4.27 321 300 A 74 ILE H A 74 ILE HG1x 1.0 0.0 4.61 322 301 A 74 ILE H A 74 ILE HG1y 1.0 0.0 4.61 323 302 A 74 ILE HB A 74 ILE H 1.0 0.0 3.96 324 303 A 74 ILE H A 73 HIS HBx 1.0 0.0 4.91 325 304 A 74 ILE H A 73 HIS HBy 1.0 0.0 4.91 326 305 A 74 ILE H A 70 ARG HA 1.0 0.0 5.16 327 306 A 74 ILE HG2% A 75 LYS H 1.0 0.0 4.69 328 307 A 75 LYS H A 75 LYS HDx 1.0 0.0 5.30 329 307 A 75 LYS H A 75 LYS HDy 1.0 0.0 5.30 330 308 A 75 LYS H A 75 LYS HBx 1.0 0.0 3.72 331 308 A 75 LYS H A 75 LYS HBy 1.0 0.0 3.72 332 309 A 74 ILE HB A 75 LYS H 1.0 0.0 4.45 333 310 A 76 GLN H A 75 LYS HBx 1.0 0.0 4.32 334 310 A 75 LYS HBy A 76 GLN H 1.0 0.0 4.32 335 311 A 76 GLN H A 76 GLN HBx 1.0 0.0 4.23 336 312 A 36 ILE HD1% A 76 GLN HE21 1.0 0.0 5.25 337 313 A 72 LEU HDy% A 76 GLN HE21 1.0 0.0 5.78 338 314 A 76 GLN HE21 A 80 VAL HGy% 1.0 0.0 5.78 339 315 A 36 ILE HD1% A 76 GLN HE22 1.0 0.0 5.44 340 316 A 77 HIS H A 76 GLN HBy 1.0 0.0 5.40 341 317 A 77 HIS H A 74 ILE HA 1.0 0.0 5.76 342 318 A 62 GLU H A 63 ASN H 1.0 0.0 4.46 343 319 A 78 GLU H A 78 GLU HBy 1.0 0.0 4.27 344 320 A 78 GLU H A 78 GLU HBx 1.0 0.0 4.27 345 321 A 78 GLU H A 78 GLU HGx 1.0 0.0 4.84 346 322 A 78 GLU H A 78 GLU HGy 1.0 0.0 4.84 347 323 A 78 GLU H A 77 HIS HBx 1.0 0.0 4.74 348 324 A 78 GLU H A 77 HIS HBy 1.0 0.0 4.74 349 325 A 77 HIS H A 78 GLU H 1.0 0.0 4.34 350 326 A 79 GLU H A 79 GLU HBx 1.0 0.0 3.52 351 326 A 79 GLU H A 79 GLU HBy 1.0 0.0 3.52 352 327 A 79 GLU H A 79 GLU HGx 1.0 0.0 4.60 353 328 A 79 GLU H A 80 VAL H 1.0 0.0 4.07 354 329 A 80 VAL H A 80 VAL HB 1.0 0.0 3.65 355 330 A 80 VAL H A 79 GLU HBx 1.0 0.0 4.05 356 330 A 79 GLU HBy A 80 VAL H 1.0 0.0 4.05 357 331 A 80 VAL H A 77 HIS HA 1.0 0.0 4.91 358 332 A 80 VAL H A 83 ASP HBx 1.0 0.0 5.78 359 332 A 80 VAL H A 83 ASP HBy 1.0 0.0 5.78 360 333 A 80 VAL H A 79 GLU HGx 1.0 0.0 5.65 361 334 A 80 VAL H A 79 GLU HGy 1.0 0.0 5.65 362 335 A 81 GLU H A 82 LYS HBx 1.0 0.0 5.78 363 335 A 81 GLU H A 82 LYS HBy 1.0 0.0 5.78 364 336 A 81 GLU H A 84 LYS HBx 1.0 0.0 5.78 365 336 A 84 LYS HBy A 81 GLU H 1.0 0.0 5.78 366 337 A 81 GLU H A 81 GLU HBx 1.0 0.0 4.21 367 338 A 80 VAL HB A 81 GLU H 1.0 0.0 3.94 368 339 A 81 GLU H A 81 GLU HGx 1.0 0.0 4.42 369 340 A 77 HIS HA A 81 GLU H 1.0 0.0 5.60 370 341 A 80 VAL H A 81 GLU H 1.0 0.0 3.97 371 342 A 82 LYS H A 82 LYS HBx 1.0 0.0 3.56 372 342 A 82 LYS H A 82 LYS HBy 1.0 0.0 3.56 373 343 A 58 LEU H A 55 SER HA 1.0 0.0 4.46 374 344 A 82 LYS H A 81 GLU HBx 1.0 0.0 4.68 375 345 A 82 LYS H A 81 GLU HBy 1.0 0.0 4.68 376 346 A 82 LYS H A 80 VAL HB 1.0 0.0 5.78 377 347 A 83 ASP H A 82 LYS HBx 1.0 0.0 3.98 378 347 A 82 LYS HBy A 83 ASP H 1.0 0.0 3.98 379 348 A 83 ASP H A 82 LYS HGx 1.0 0.0 5.62 380 349 A 83 ASP H A 83 ASP HBx 1.0 0.0 3.49 381 349 A 83 ASP HBy A 83 ASP H 1.0 0.0 3.49 382 350 A 83 ASP H A 80 VAL HA 1.0 0.0 4.94 383 351 A 19 LYS H A 18 GLU HGx 1.0 0.0 5.35 384 351 A 18 GLU HGy A 19 LYS H 1.0 0.0 5.35 385 352 A 85 LYS H A 85 LYS HGx 1.0 0.0 4.68 386 353 A 85 LYS H A 85 LYS HBx 1.0 0.0 3.44 387 353 A 85 LYS H A 85 LYS HBy 1.0 0.0 3.44 388 354 A 85 LYS H A 85 LYS HGy 1.0 0.0 4.68 389 355 A 86 ALA H A 85 LYS HBx 1.0 0.0 4.40 390 355 A 85 LYS HBy A 86 ALA H 1.0 0.0 4.40 391 356 A 83 ASP HA A 86 ALA H 1.0 0.0 5.01 392 357 A 86 ALA HB% A 87 LYS H 1.0 0.0 4.17 393 358 A 87 LYS H A 87 LYS HDx 1.0 0.0 5.23 394 358 A 87 LYS H A 87 LYS HDy 1.0 0.0 5.23 395 359 A 87 LYS H A 87 LYS HBy 1.0 0.0 4.29 396 360 A 87 LYS H A 87 LYS HBx 1.0 0.0 4.29 397 361 A 88 GLN HBy A 89 GLN H 1.0 0.0 5.51 398 362 A 91 THR HB A 92 LEU H 1.0 0.0 5.02 399 363 A 93 LYS H A 93 LYS HGx 1.0 0.0 5.57 400 363 A 93 LYS H A 93 LYS HGy 1.0 0.0 5.57 401 364 A 23 GLN H A 24 TRP H 1.0 0.0 4.24 402 365 A 25 LYS H A 25 LYS HDy 1.0 0.0 5.58 403 366 A 32 VAL H A 28 LEU HA 1.0 0.0 5.72 404 367 A 31 ASP H A 32 VAL H 1.0 0.0 4.54 405 368 A 33 ASP H A 34 ASN HB2 1.0 0.0 5.28 406 369 A 32 VAL H A 34 ASN H 1.0 0.0 5.53 407 370 A 35 THR H A 37 LEU H 1.0 0.0 5.47 408 371 A 35 THR HG1 A 36 ILE H 1.0 0.0 5.74 409 372 A 46 LYS H A 46 LYS HDx 1.0 0.0 5.71 410 373 A 46 LYS H A 46 LYS HDy 1.0 0.0 5.71 411 374 A 46 LYS H A 44 GLU HA 1.0 0.0 5.78 412 375 A 46 LYS H A 47 THR HA 1.0 0.0 5.78 413 376 A 50 ASP H A 47 THR HG2% 1.0 0.0 5.63 414 377 A 54 ASP H A 21 LEU HDx% 1.0 0.0 5.78 415 378 A 54 ASP H A 21 LEU HDy% 1.0 0.0 5.78 416 379 A 54 ASP H A 53 ASN HBx 1.0 0.0 5.30 417 380 A 56 ASP H A 55 SER HBy 1.0 0.0 5.17 418 381 A 56 ASP H A 55 SER HBx 1.0 0.0 5.17 419 382 A 59 LEU H A 58 LEU HBy 1.0 0.0 5.07 420 383 A 60 GLU H A 60 GLU HGx 1.0 0.0 5.04 421 384 A 61 LEU H A 60 GLU HGx 1.0 0.0 5.62 422 385 A 72 LEU H A 72 LEU HDx% 1.0 0.0 5.24 423 386 A 75 LYS H A 74 ILE HD1% 1.0 0.0 5.34 424 387 A 77 HIS H A 76 GLN HBx 1.0 0.0 5.40 425 388 A 77 HIS H A 73 HIS HA 1.0 0.0 5.01 426 389 A 80 VAL HGy% A 79 GLU H 1.0 0.0 5.58 427 390 A 82 LYS H A 80 VAL HGy% 1.0 0.0 5.78 428 391 A 83 ASP H A 82 LYS HDx 1.0 0.0 5.50 429 391 A 83 ASP H A 82 LYS HDy 1.0 0.0 5.50 430 392 A 12 THR HG2% A 12 THR HA 1.0 0.0 3.92 431 393 A 97 THR HA A 97 THR HG2% 1.0 0.0 4.39 432 394 A 12 THR HB A 13 ASP H 1.0 0.0 5.66 433 395 A 9 THR HA A 9 THR HG2% 1.0 0.0 3.81 434 396 A 14 THR HA A 17 ARG HBx 1.0 0.0 4.19 435 396 A 17 ARG HBy A 14 THR HA 1.0 0.0 4.19 436 397 A 15 GLY H A 14 THR HB 1.0 0.0 4.91 437 398 A 14 THR HG2% A 14 THR HA 1.0 0.0 3.48 438 399 A 15 GLY HAx A 18 GLU HBx 1.0 0.0 4.67 439 399 A 15 GLY HAy A 18 GLU HBx 1.0 0.0 4.67 440 399 A 18 GLU HBy A 15 GLY HAx 1.0 0.0 4.67 441 399 A 18 GLU HBy A 15 GLY HAy 1.0 0.0 4.67 442 400 A 17 ARG H A 16 LYS HBx 1.0 0.0 4.57 443 400 A 16 LYS HBy A 17 ARG H 1.0 0.0 4.57 444 401 A 16 LYS H A 16 LYS HGx 1.0 0.0 5.16 445 402 A 17 ARG HBx A 17 ARG HDx 1.0 0.0 3.77 446 402 A 17 ARG HBy A 17 ARG HDx 1.0 0.0 3.77 447 402 A 17 ARG HDy A 17 ARG HBx 1.0 0.0 3.77 448 402 A 17 ARG HBy A 17 ARG HDy 1.0 0.0 3.77 449 403 A 14 THR HA A 17 ARG HDx 1.0 0.0 5.04 450 403 A 14 THR HA A 17 ARG HDy 1.0 0.0 5.04 451 404 A 18 GLU HA A 21 LEU HBy 1.0 0.0 4.68 452 405 A 26 ASN H A 23 GLN HA 1.0 0.0 4.77 453 406 A 41 GLN HA A 45 PHE H 1.0 0.0 5.04 454 407 A 18 GLU HGy A 21 LEU HDx% 1.0 0.0 5.78 455 407 A 21 LEU HDx% A 18 GLU HGx 1.0 0.0 5.78 456 408 A 18 GLU HGy A 21 LEU HDy% 1.0 0.0 5.78 457 408 A 18 GLU HGx A 21 LEU HDy% 1.0 0.0 5.78 458 409 A 14 THR HG2% A 18 GLU HGx 1.0 0.0 4.92 459 409 A 14 THR HG2% A 18 GLU HGy 1.0 0.0 4.92 460 410 A 18 GLU HA A 18 GLU HGx 1.0 0.0 3.98 461 410 A 18 GLU HGy A 18 GLU HA 1.0 0.0 3.98 462 411 A 22 GLN H A 19 LYS HA 1.0 0.0 4.50 463 412 A 21 LEU HA A 24 TRP HBx 1.0 0.0 5.19 464 413 A 21 LEU HA A 24 TRP HBy 1.0 0.0 5.19 465 414 A 18 GLU HA A 21 LEU HBx 1.0 0.0 4.68 466 415 A 58 LEU HDx% A 21 LEU HDx% 1.0 0.0 3.96 467 416 A 21 LEU HDx% A 21 LEU HBx 1.0 0.0 3.99 468 417 A 21 LEU HDx% A 21 LEU HBy 1.0 0.0 3.99 469 418 A 18 GLU HA A 21 LEU HDx% 1.0 0.0 4.60 470 419 A 21 LEU HA A 21 LEU HDx% 1.0 0.0 4.26 471 420 A 53 ASN HA A 21 LEU HDx% 1.0 0.0 4.58 472 421 A 24 TRP HZ3 A 21 LEU HDx% 1.0 0.0 5.39 473 422 A 24 TRP HE3 A 21 LEU HDx% 1.0 0.0 4.62 474 423 A 21 LEU H A 21 LEU HDx% 1.0 0.0 4.77 475 424 A 58 LEU HDx% A 21 LEU HDy% 1.0 0.0 3.96 476 425 A 21 LEU HBx A 21 LEU HDy% 1.0 0.0 3.99 477 426 A 21 LEU HBy A 21 LEU HDy% 1.0 0.0 3.99 478 427 A 18 GLU HA A 21 LEU HDy% 1.0 0.0 4.60 479 428 A 21 LEU HA A 21 LEU HDy% 1.0 0.0 4.26 480 429 A 53 ASN HA A 21 LEU HDy% 1.0 0.0 4.58 481 430 A 24 TRP HZ3 A 21 LEU HDy% 1.0 0.0 5.39 482 431 A 24 TRP HE3 A 21 LEU HDy% 1.0 0.0 4.62 483 432 A 21 LEU H A 21 LEU HDy% 1.0 0.0 4.77 484 433 A 22 GLN H A 21 LEU HDy% 1.0 0.0 5.29 485 434 A 25 LYS HB3 A 22 GLN HA 1.0 0.0 4.90 486 435 A 22 GLN HA A 25 LYS HDx 1.0 0.0 5.40 487 436 A 22 GLN HA A 25 LYS HDy 1.0 0.0 5.40 488 437 A 22 GLN HA A 25 LYS HGy 1.0 0.0 5.78 489 438 A 25 LYS HB2 A 22 GLN HA 1.0 0.0 4.76 490 439 A 25 LYS H A 22 GLN HA 1.0 0.0 5.09 491 440 A 22 GLN HA A 22 GLN HGx 1.0 0.0 4.26 492 440 A 22 GLN HA A 22 GLN HGy 1.0 0.0 4.26 493 441 A 22 GLN H A 22 GLN HGx 1.0 0.0 4.15 494 441 A 22 GLN H A 22 GLN HGy 1.0 0.0 4.15 495 442 A 23 GLN HA A 26 ASN HBx 1.0 0.0 4.63 496 443 A 23 GLN HA A 26 ASN HBy 1.0 0.0 4.63 497 444 A 23 GLN HA A 26 ASN HD21 1.0 0.0 5.01 498 445 A 21 LEU H A 18 GLU HA 1.0 0.0 4.74 499 446 A 24 TRP H A 23 GLN HBy 1.0 0.0 4.74 500 447 A 23 GLN H A 23 GLN HBx 1.0 0.0 4.05 501 448 A 23 GLN H A 23 GLN HGy 1.0 0.0 4.65 502 449 A 23 GLN H A 23 GLN HGx 1.0 0.0 4.65 503 450 A 21 LEU H A 22 GLN HGx 1.0 0.0 5.67 504 450 A 21 LEU H A 22 GLN HGy 1.0 0.0 5.67 505 451 A 24 TRP H A 23 GLN HGx 1.0 0.0 5.78 506 452 A 24 TRP H A 23 GLN HGy 1.0 0.0 5.78 507 453 A 66 ASN HB3 A 63 ASN HA 1.0 0.0 5.25 508 454 A 66 ASN HB2 A 63 ASN HA 1.0 0.0 4.65 509 455 A 26 ASN HA A 29 LYS HEy 1.0 0.0 5.04 510 456 A 26 ASN HA A 26 ASN HD22 1.0 0.0 5.49 511 457 A 26 ASN HA A 30 ASN H 1.0 0.0 5.62 512 458 A 66 ASN H A 63 ASN HA 1.0 0.0 5.78 513 459 A 24 TRP HA A 27 ASN HBx 1.0 0.0 5.62 514 460 A 28 LEU H A 27 ASN HBx 1.0 0.0 5.47 515 461 A 24 TRP HA A 27 ASN HBy 1.0 0.0 5.62 516 462 A 28 LEU HA A 24 TRP HD1 1.0 0.0 5.61 517 463 A 31 ASP H A 28 LEU HA 1.0 0.0 5.09 518 464 A 62 GLU HGy A 28 LEU HDx% 1.0 0.0 5.64 519 464 A 28 LEU HDx% A 62 GLU HGx 1.0 0.0 5.64 520 465 A 28 LEU HA A 28 LEU HDx% 1.0 0.0 5.07 521 466 A 65 PHE HE% A 28 LEU HDx% 1.0 0.0 5.38 522 467 A 29 LYS H A 28 LEU HDx% 1.0 0.0 5.64 523 468 A 62 GLU H A 28 LEU HDx% 1.0 0.0 5.78 524 469 A 28 LEU H A 28 LEU HDx% 1.0 0.0 5.17 525 470 A 62 GLU HGy A 28 LEU HDy% 1.0 0.0 5.64 526 470 A 28 LEU HDy% A 62 GLU HGx 1.0 0.0 5.64 527 471 A 62 GLU HA A 28 LEU HDy% 1.0 0.0 5.78 528 472 A 28 LEU HA A 28 LEU HDy% 1.0 0.0 5.07 529 473 A 65 PHE HE% A 28 LEU HDy% 1.0 0.0 5.38 530 474 A 62 GLU H A 28 LEU HDy% 1.0 0.0 5.78 531 475 A 28 LEU H A 28 LEU HDy% 1.0 0.0 5.17 532 476 A 28 LEU HG A 25 LYS HA 1.0 0.0 5.78 533 477 A 32 VAL HB A 29 LYS HA 1.0 0.0 4.54 534 478 A 30 ASN HA A 33 ASP HBx 1.0 0.0 4.58 535 479 A 30 ASN HA A 33 ASP HBy 1.0 0.0 4.58 536 480 A 33 ASP H A 30 ASN HA 1.0 0.0 4.92 537 481 A 27 ASN HA A 30 ASN HBx 1.0 0.0 3.97 538 481 A 30 ASN HBy A 27 ASN HA 1.0 0.0 3.97 539 482 A 31 ASP H A 30 ASN HBx 1.0 0.0 4.12 540 482 A 30 ASN HBy A 31 ASP H 1.0 0.0 4.12 541 483 A 64 GLN H A 63 ASN HBy 1.0 0.0 4.74 542 484 A 31 ASP HB2 A 28 LEU HA 1.0 0.0 5.07 543 485 A 31 ASP HB3 A 28 LEU HA 1.0 0.0 5.41 544 486 A 31 ASP HA A 32 VAL HA 1.0 0.0 5.44 545 487 A 35 THR HG1 A 32 VAL HA 1.0 0.0 4.96 546 488 A 49 ILE HD1% A 32 VAL HGy% 1.0 0.0 3.57 547 489 A 37 LEU HDx% A 32 VAL HGy% 1.0 0.0 4.48 548 490 A 35 THR HG2% A 32 VAL HGy% 1.0 0.0 4.51 549 491 A 28 LEU HB2 A 32 VAL HGy% 1.0 0.0 4.92 550 492 A 45 PHE HB3 A 32 VAL HGy% 1.0 0.0 4.35 551 493 A 32 VAL HA A 32 VAL HGy% 1.0 0.0 3.74 552 494 A 29 LYS HA A 32 VAL HGy% 1.0 0.0 4.35 553 495 A 65 PHE HD% A 32 VAL HGy% 1.0 0.0 4.40 554 496 A 65 PHE HE% A 32 VAL HGy% 1.0 0.0 4.56 555 497 A 45 PHE HD% A 32 VAL HGy% 1.0 0.0 4.85 556 498 A 33 ASP H A 32 VAL HGy% 1.0 0.0 5.15 557 499 A 32 VAL H A 32 VAL HGy% 1.0 0.0 3.64 558 500 A 32 VAL HGx% A 45 PHE HB3 1.0 0.0 4.38 559 501 A 32 VAL HGx% A 32 VAL HA 1.0 0.0 3.99 560 502 A 32 VAL HGx% A 45 PHE HB2 1.0 0.0 4.59 561 503 A 29 LYS HA A 32 VAL HGx% 1.0 0.0 4.80 562 504 A 32 VAL HGx% A 42 LYS HA 1.0 0.0 3.77 563 505 A 32 VAL HGx% A 33 ASP HA 1.0 0.0 4.92 564 506 A 32 VAL HGx% A 35 THR HG1 1.0 0.0 4.84 565 507 A 32 VAL HGx% A 45 PHE HD% 1.0 0.0 5.15 566 508 A 32 VAL HGx% A 35 THR H 1.0 0.0 5.43 567 509 A 32 VAL H A 32 VAL HGx% 1.0 0.0 4.34 568 510 A 32 VAL HGx% A 46 LYS H 1.0 0.0 4.81 569 511 A 32 VAL HGx% A 42 LYS H 1.0 0.0 5.25 570 512 A 35 THR HG2% A 31 ASP HA 1.0 0.0 4.83 571 513 A 34 ASN HB2 A 31 ASP HA 1.0 0.0 4.19 572 514 A 33 ASP HA A 42 LYS HEy 1.0 0.0 4.84 573 515 A 34 ASN HB3 A 31 ASP HA 1.0 0.0 4.73 574 516 A 35 THR HG2% A 32 VAL HGx% 1.0 0.0 5.15 575 517 A 35 THR HG2% A 37 LEU HDx% 1.0 0.0 4.63 576 518 A 35 THR HG2% A 69 ASN HB2 1.0 0.0 4.78 577 519 A 35 THR HG2% A 32 VAL HA 1.0 0.0 3.78 578 520 A 35 THR HG2% A 69 ASN HB3 1.0 0.0 5.08 579 521 A 35 THR HG2% A 35 THR HA 1.0 0.0 3.83 580 522 A 35 THR HG2% A 35 THR HG1 1.0 0.0 4.04 581 523 A 35 THR HG2% A 37 LEU H 1.0 0.0 4.98 582 524 A 35 THR HG2% A 65 PHE HE% 1.0 0.0 4.77 583 525 A 35 THR HG2% A 69 ASN HD22 1.0 0.0 4.92 584 526 A 35 THR HG2% A 36 ILE H 1.0 0.0 4.32 585 527 A 35 THR HG2% A 69 ASN HD21 1.0 0.0 4.75 586 528 A 35 THR HG2% A 69 ASN H 1.0 0.0 5.15 587 529 A 72 LEU HDx% A 36 ILE HB 1.0 0.0 5.43 588 530 A 36 ILE H A 36 ILE HG1y 1.0 0.0 4.92 589 531 A 36 ILE HD1% A 36 ILE HG2% 1.0 0.0 3.28 590 532 A 35 THR HB A 36 ILE HG2% 1.0 0.0 4.66 591 533 A 35 THR HA A 36 ILE HG2% 1.0 0.0 4.41 592 534 A 36 ILE HG2% A 36 ILE HA 1.0 0.0 3.37 593 535 A 37 LEU H A 36 ILE HG2% 1.0 0.0 5.08 594 536 A 36 ILE H A 36 ILE HG2% 1.0 0.0 3.97 595 537 A 72 LEU HB3 A 36 ILE HD1% 1.0 0.0 4.43 596 538 A 72 LEU HB2 A 36 ILE HD1% 1.0 0.0 4.56 597 539 A 36 ILE HD1% A 36 ILE HB 1.0 0.0 4.13 598 540 A 36 ILE HD1% A 73 HIS HA 1.0 0.0 4.24 599 541 A 36 ILE HD1% A 69 ASN HA 1.0 0.0 5.13 600 542 A 36 ILE HD1% A 36 ILE HA 1.0 0.0 4.80 601 543 A 36 ILE H A 36 ILE HD1% 1.0 0.0 4.69 602 544 A 76 GLN H A 36 ILE HD1% 1.0 0.0 5.39 603 545 A 73 HIS H A 36 ILE HD1% 1.0 0.0 5.08 604 546 A 37 LEU HG A 68 THR HG2% 1.0 0.0 4.98 605 547 A 37 LEU H A 37 LEU HG 1.0 0.0 5.00 606 548 A 38 SER H A 37 LEU HG 1.0 0.0 5.62 607 549 A 37 LEU HDx% A 68 THR HG2% 1.0 0.0 3.76 608 550 A 37 LEU HB2 A 37 LEU HDx% 1.0 0.0 3.95 609 551 A 37 LEU HDx% A 37 LEU HB3 1.0 0.0 3.76 610 552 A 37 LEU HDx% A 41 GLN HBx 1.0 0.0 4.33 611 553 A 37 LEU HDx% A 41 GLN HBy 1.0 0.0 4.33 612 554 A 37 LEU HDx% A 42 LYS HA 1.0 0.0 5.15 613 555 A 37 LEU HDx% A 37 LEU HA 1.0 0.0 4.24 614 556 A 37 LEU HDx% A 41 GLN HA 1.0 0.0 4.97 615 557 A 37 LEU HDx% A 68 THR HB 1.0 0.0 4.67 616 558 A 35 THR HB A 37 LEU HDx% 1.0 0.0 4.71 617 559 A 37 LEU H A 37 LEU HDx% 1.0 0.0 4.73 618 560 A 37 LEU HDx% A 45 PHE HD% 1.0 0.0 3.89 619 561 A 37 LEU HDx% A 45 PHE HE% 1.0 0.0 4.33 620 562 A 37 LEU HDy% A 32 VAL HGy% 1.0 0.0 5.04 621 563 A 37 LEU HDy% A 68 THR HG2% 1.0 0.0 3.69 622 564 A 35 THR HG2% A 37 LEU HDy% 1.0 0.0 3.94 623 565 A 37 LEU HB2 A 37 LEU HDy% 1.0 0.0 4.25 624 566 A 37 LEU HDy% A 69 ASN HB2 1.0 0.0 4.55 625 567 A 37 LEU HDy% A 37 LEU HA 1.0 0.0 4.03 626 568 A 37 LEU HDy% A 68 THR HB 1.0 0.0 4.48 627 569 A 35 THR HB A 37 LEU HDy% 1.0 0.0 3.64 628 570 A 35 THR HA A 37 LEU HDy% 1.0 0.0 4.92 629 571 A 35 THR HG1 A 37 LEU HDy% 1.0 0.0 4.77 630 572 A 37 LEU HDy% A 65 PHE HD% 1.0 0.0 4.96 631 573 A 37 LEU H A 37 LEU HDy% 1.0 0.0 3.98 632 574 A 37 LEU HDy% A 45 PHE HD% 1.0 0.0 4.67 633 575 A 37 LEU HDy% A 45 PHE HE% 1.0 0.0 5.25 634 576 A 35 THR H A 37 LEU HDy% 1.0 0.0 5.31 635 577 A 36 ILE H A 37 LEU HDy% 1.0 0.0 4.60 636 578 A 37 LEU HDy% A 69 ASN H 1.0 0.0 4.25 637 579 A 39 HIS HA A 42 LYS HBy 1.0 0.0 5.09 638 580 A 76 GLN H A 73 HIS HA 1.0 0.0 4.96 639 581 A 42 LYS H A 39 HIS HA 1.0 0.0 5.38 640 582 A 40 GLU H A 39 HIS HBy 1.0 0.0 4.68 641 583 A 40 GLU HA A 43 ASN HBx 1.0 0.0 4.38 642 584 A 40 GLU HA A 40 GLU HGx 1.0 0.0 4.38 643 585 A 40 GLU H A 40 GLU HGx 1.0 0.0 5.10 644 586 A 40 GLU HA A 40 GLU HGy 1.0 0.0 4.38 645 587 A 40 GLU H A 40 GLU HGy 1.0 0.0 5.10 646 588 A 37 LEU HDx% A 41 GLN HGx 1.0 0.0 5.49 647 588 A 37 LEU HDx% A 41 GLN HGy 1.0 0.0 5.49 648 589 A 37 LEU HB3 A 41 GLN HGx 1.0 0.0 5.40 649 589 A 37 LEU HB3 A 41 GLN HGy 1.0 0.0 5.40 650 590 A 41 GLN HA A 41 GLN HGx 1.0 0.0 4.19 651 590 A 41 GLN HGy A 41 GLN HA 1.0 0.0 4.19 652 591 A 42 LYS H A 41 GLN HGx 1.0 0.0 5.68 653 591 A 41 GLN HGy A 42 LYS H 1.0 0.0 5.68 654 592 A 37 LEU HB3 A 42 LYS HA 1.0 0.0 5.78 655 593 A 45 PHE HB2 A 42 LYS HA 1.0 0.0 5.60 656 594 A 45 PHE H A 42 LYS HA 1.0 0.0 5.58 657 595 A 40 GLU HA A 43 ASN HBy 1.0 0.0 4.38 658 596 A 43 ASN H A 43 ASN HBy 1.0 0.0 4.32 659 597 A 47 THR HG2% A 48 LYS HA 1.0 0.0 4.95 660 598 A 44 GLU HA A 44 GLU HGx 1.0 0.0 4.34 661 599 A 44 GLU H A 44 GLU HGx 1.0 0.0 4.59 662 600 A 44 GLU HA A 44 GLU HGy 1.0 0.0 4.34 663 601 A 44 GLU H A 44 GLU HGy 1.0 0.0 4.59 664 602 A 45 PHE HA A 61 LEU HDx% 1.0 0.0 5.67 665 603 A 45 PHE HB2 A 32 VAL HGy% 1.0 0.0 5.76 666 604 A 49 ILE HB A 46 LYS HA 1.0 0.0 4.61 667 605 A 47 THR HA A 50 ASP HBx 1.0 0.0 4.87 668 606 A 47 THR HA A 50 ASP HBy 1.0 0.0 4.87 669 607 A 47 THR HB A 44 GLU HA 1.0 0.0 4.25 670 608 A 47 THR HA A 47 THR HG2% 1.0 0.0 3.36 671 609 A 48 LYS H A 47 THR HG2% 1.0 0.0 4.40 672 610 A 47 THR H A 47 THR HG2% 1.0 0.0 4.01 673 611 A 48 LYS HA A 48 LYS HGx 1.0 0.0 4.43 674 612 A 48 LYS HA A 48 LYS HGy 1.0 0.0 4.43 675 613 A 45 PHE HA A 48 LYS HDx 1.0 0.0 5.29 676 614 A 48 LYS H A 48 LYS HDy 1.0 0.0 5.42 677 615 A 45 PHE HA A 48 LYS HDy 1.0 0.0 5.29 678 616 A 48 LYS HEy A 48 LYS HGx 1.0 0.0 3.90 679 616 A 48 LYS HGx A 48 LYS HEx 1.0 0.0 3.90 680 617 A 48 LYS HEy A 48 LYS HGy 1.0 0.0 3.90 681 617 A 48 LYS HEx A 48 LYS HGy 1.0 0.0 3.90 682 618 A 48 LYS HEy A 44 GLU HGx 1.0 0.0 4.69 683 618 A 44 GLU HGx A 48 LYS HEx 1.0 0.0 4.69 684 619 A 48 LYS HEy A 44 GLU HGy 1.0 0.0 4.69 685 619 A 44 GLU HGy A 48 LYS HEx 1.0 0.0 4.69 686 620 A 44 GLU HA A 48 LYS HEx 1.0 0.0 5.34 687 620 A 44 GLU HA A 48 LYS HEy 1.0 0.0 5.34 688 621 A 48 LYS HA A 48 LYS HEx 1.0 0.0 5.63 689 621 A 48 LYS HA A 48 LYS HEy 1.0 0.0 5.63 690 622 A 48 LYS H A 48 LYS HEx 1.0 0.0 5.57 691 622 A 48 LYS H A 48 LYS HEy 1.0 0.0 5.57 692 623 A 58 LEU HDx% A 49 ILE HG2% 1.0 0.0 5.04 693 624 A 28 LEU HG A 49 ILE HG2% 1.0 0.0 4.22 694 625 A 25 LYS HB3 A 49 ILE HG2% 1.0 0.0 4.49 695 626 A 28 LEU HB2 A 49 ILE HG2% 1.0 0.0 3.98 696 627 A 49 ILE HG2% A 25 LYS HDy 1.0 0.0 5.09 697 628 A 49 ILE HA A 49 ILE HG2% 1.0 0.0 4.25 698 629 A 25 LYS HA A 49 ILE HG2% 1.0 0.0 4.37 699 630 A 46 LYS HA A 49 ILE HG2% 1.0 0.0 5.17 700 631 A 49 ILE HG2% A 50 ASP HA 1.0 0.0 4.99 701 632 A 50 ASP H A 49 ILE HG2% 1.0 0.0 4.92 702 633 A 29 LYS H A 49 ILE HG2% 1.0 0.0 5.24 703 634 A 49 ILE H A 49 ILE HG2% 1.0 0.0 4.68 704 635 A 49 ILE HD1% A 49 ILE HG2% 1.0 0.0 3.42 705 636 A 49 ILE HB A 49 ILE HD1% 1.0 0.0 3.90 706 637 A 49 ILE HD1% A 49 ILE HA 1.0 0.0 4.58 707 638 A 29 LYS HA A 49 ILE HD1% 1.0 0.0 4.73 708 639 A 46 LYS HA A 49 ILE HD1% 1.0 0.0 4.33 709 640 A 49 ILE HD1% A 65 PHE HE% 1.0 0.0 4.73 710 641 A 45 PHE HD% A 49 ILE HD1% 1.0 0.0 5.23 711 642 A 29 LYS H A 49 ILE HD1% 1.0 0.0 4.98 712 643 A 49 ILE H A 49 ILE HD1% 1.0 0.0 4.53 713 644 A 52 THR H A 50 ASP HA 1.0 0.0 5.47 714 645 A 48 LYS HA A 51 GLU HBx 1.0 0.0 5.04 715 646 A 47 THR HG2% A 51 GLU HGx 1.0 0.0 4.87 716 647 A 51 GLU H A 51 GLU HGx 1.0 0.0 4.64 717 648 A 48 LYS HA A 51 GLU HGy 1.0 0.0 5.17 718 649 A 52 THR HA A 58 LEU HDy% 1.0 0.0 5.73 719 650 A 49 ILE HA A 52 THR HB 1.0 0.0 5.25 720 651 A 51 GLU H A 52 THR HB 1.0 0.0 5.70 721 652 A 52 THR HB A 53 ASN H 1.0 0.0 5.45 722 653 A 52 THR HG2% A 52 THR HA 1.0 0.0 4.20 723 654 A 52 THR HG2% A 54 ASP H 1.0 0.0 3.65 724 655 A 52 THR HG2% A 58 LEU H 1.0 0.0 4.73 725 656 A 52 THR HG2% A 53 ASN H 1.0 0.0 4.61 726 657 A 54 ASP H A 53 ASN HBy 1.0 0.0 5.30 727 658 A 59 LEU HDx% A 55 SER HBx 1.0 0.0 5.78 728 659 A 24 TRP HZ3 A 55 SER HBx 1.0 0.0 5.53 729 660 A 59 LEU HDx% A 55 SER HBy 1.0 0.0 5.78 730 661 A 56 ASP HA A 59 LEU HB3 1.0 0.0 5.08 731 662 A 59 LEU HB2 A 56 ASP HA 1.0 0.0 4.51 732 663 A 57 ALA H A 56 ASP HBy 1.0 0.0 5.03 733 664 A 57 ALA HB% A 58 LEU HDy% 1.0 0.0 5.38 734 665 A 61 LEU HDx% A 57 ALA HB% 1.0 0.0 4.97 735 666 A 57 ALA HB% A 54 ASP HBx 1.0 0.0 3.87 736 667 A 57 ALA HB% A 54 ASP HBy 1.0 0.0 3.87 737 668 A 57 ALA HB% A 54 ASP HA 1.0 0.0 5.50 738 669 A 52 THR HG1 A 57 ALA HB% 1.0 0.0 5.60 739 670 A 57 ALA HB% A 57 ALA H 1.0 0.0 3.52 740 671 A 52 THR HG2% A 58 LEU HA 1.0 0.0 5.23 741 672 A 58 LEU HA A 61 LEU HB2 1.0 0.0 4.81 742 673 A 55 SER HA A 58 LEU HBx 1.0 0.0 5.37 743 674 A 55 SER HA A 58 LEU HBy 1.0 0.0 5.37 744 675 A 52 THR HG2% A 58 LEU HG 1.0 0.0 4.56 745 676 A 58 LEU HG A 55 SER HA 1.0 0.0 5.78 746 677 A 49 ILE HA A 58 LEU HDy% 1.0 0.0 4.36 747 678 A 52 THR HB A 58 LEU HDy% 1.0 0.0 4.65 748 679 A 52 THR H A 58 LEU HDy% 1.0 0.0 5.34 749 680 A 58 LEU H A 58 LEU HDy% 1.0 0.0 4.75 750 681 A 58 LEU HA A 58 LEU HDy% 1.0 0.0 3.93 751 682 A 58 LEU HA A 58 LEU HDx% 1.0 0.0 5.10 752 683 A 55 SER HA A 58 LEU HDx% 1.0 0.0 4.61 753 684 A 58 LEU H A 58 LEU HDx% 1.0 0.0 4.87 754 685 A 59 LEU HA A 62 GLU HBy 1.0 0.0 4.84 755 686 A 62 GLU H A 59 LEU HA 1.0 0.0 5.17 756 687 A 56 ASP HA A 59 LEU HG 1.0 0.0 5.62 757 688 A 59 LEU H A 59 LEU HG 1.0 0.0 4.53 758 689 A 59 LEU HDx% A 59 LEU HB3 1.0 0.0 4.23 759 690 A 59 LEU HDx% A 59 LEU HB2 1.0 0.0 3.97 760 691 A 59 LEU HDx% A 59 LEU HA 1.0 0.0 4.73 761 692 A 59 LEU HDx% A 56 ASP HA 1.0 0.0 4.28 762 693 A 59 LEU HDx% A 59 LEU H 1.0 0.0 4.84 763 694 A 59 LEU HB3 A 59 LEU HDy% 1.0 0.0 4.03 764 695 A 59 LEU HA A 59 LEU HDy% 1.0 0.0 3.80 765 696 A 59 LEU H A 59 LEU HDy% 1.0 0.0 4.60 766 697 A 60 GLU HA A 63 ASN HD21 1.0 0.0 5.04 767 698 A 63 ASN H A 60 GLU HA 1.0 0.0 4.79 768 699 A 61 LEU H A 60 GLU HBx 1.0 0.0 4.53 769 699 A 60 GLU HBy A 61 LEU H 1.0 0.0 4.53 770 700 A 60 GLU HA A 60 GLU HGx 1.0 0.0 4.29 771 701 A 64 GLN HE22 A 60 GLU HGx 1.0 0.0 5.58 772 702 A 64 GLN HE21 A 60 GLU HGx 1.0 0.0 4.27 773 703 A 63 ASN H A 60 GLU HGx 1.0 0.0 5.78 774 704 A 60 GLU HA A 60 GLU HGy 1.0 0.0 4.29 775 705 A 64 GLN HE21 A 60 GLU HGy 1.0 0.0 4.27 776 706 A 61 LEU HA A 64 GLN HBy 1.0 0.0 4.73 777 707 A 58 LEU HA A 61 LEU HB3 1.0 0.0 5.31 778 708 A 61 LEU HB2 A 58 LEU HDy% 1.0 0.0 5.78 779 709 A 45 PHE HD% A 61 LEU HB2 1.0 0.0 5.62 780 710 A 61 LEU HDy% A 61 LEU HB3 1.0 0.0 4.05 781 711 A 61 LEU HDy% A 61 LEU HB2 1.0 0.0 4.29 782 712 A 61 LEU HDy% A 61 LEU HA 1.0 0.0 3.56 783 713 A 45 PHE HD% A 61 LEU HDy% 1.0 0.0 3.94 784 714 A 61 LEU HDy% A 45 PHE HE% 1.0 0.0 4.13 785 715 A 60 GLU H A 59 LEU HDy% 1.0 0.0 5.38 786 716 A 61 LEU HDy% A 61 LEU H 1.0 0.0 4.42 787 717 A 49 ILE H A 61 LEU HDy% 1.0 0.0 5.49 788 718 A 61 LEU HDx% A 52 THR HG2% 1.0 0.0 3.72 789 719 A 61 LEU HDx% A 61 LEU HB3 1.0 0.0 4.19 790 720 A 61 LEU HDx% A 48 LYS HBy 1.0 0.0 4.60 791 721 A 61 LEU HDx% A 61 LEU HB2 1.0 0.0 4.27 792 722 A 61 LEU HDx% A 49 ILE HA 1.0 0.0 4.27 793 723 A 61 LEU HDx% A 58 LEU HA 1.0 0.0 4.35 794 724 A 61 LEU HDx% A 52 THR HB 1.0 0.0 4.90 795 725 A 61 LEU HDx% A 61 LEU HA 1.0 0.0 5.12 796 726 A 45 PHE HD% A 61 LEU HDx% 1.0 0.0 5.01 797 727 A 61 LEU HDx% A 61 LEU H 1.0 0.0 4.87 798 728 A 49 ILE H A 61 LEU HDx% 1.0 0.0 5.05 799 729 A 62 GLU HA A 65 PHE HE% 1.0 0.0 5.10 800 730 A 59 LEU HA A 62 GLU HGx 1.0 0.0 5.78 801 730 A 62 GLU HGy A 59 LEU HA 1.0 0.0 5.78 802 731 A 63 ASN HA A 62 GLU HGx 1.0 0.0 5.78 803 731 A 62 GLU HGy A 63 ASN HA 1.0 0.0 5.78 804 732 A 62 GLU H A 62 GLU HGx 1.0 0.0 5.50 805 732 A 62 GLU H A 62 GLU HGy 1.0 0.0 5.50 806 733 A 60 GLU HA A 63 ASN HBx 1.0 0.0 4.37 807 734 A 63 ASN H A 63 ASN HBx 1.0 0.0 4.11 808 735 A 60 GLU HA A 63 ASN HBy 1.0 0.0 4.37 809 736 A 64 GLN HA A 67 GLU HBx 1.0 0.0 4.85 810 737 A 64 GLN HA A 67 GLU HBy 1.0 0.0 4.85 811 738 A 61 LEU HA A 64 GLN HBx 1.0 0.0 4.73 812 739 A 65 PHE H A 64 GLN HBx 1.0 0.0 5.24 813 740 A 64 GLN H A 64 GLN HGx 1.0 0.0 4.64 814 741 A 64 GLN H A 64 GLN HGy 1.0 0.0 4.64 815 742 A 37 LEU HDx% A 65 PHE HA 1.0 0.0 5.11 816 743 A 65 PHE HA A 68 THR HG2% 1.0 0.0 5.32 817 744 A 65 PHE HA A 68 THR HB 1.0 0.0 4.44 818 745 A 45 PHE HE% A 65 PHE HA 1.0 0.0 5.69 819 746 A 65 PHE HA A 68 THR H 1.0 0.0 5.29 820 747 A 66 ASN HA A 69 ASN HB2 1.0 0.0 4.87 821 748 A 66 ASN HA A 69 ASN HB3 1.0 0.0 4.73 822 749 A 67 GLU HA A 70 ARG HBx 1.0 0.0 4.96 823 750 A 71 LEU HG A 67 GLU HGy 1.0 0.0 5.42 824 751 A 71 LEU HG A 67 GLU HGx 1.0 0.0 5.42 825 752 A 68 THR H A 67 GLU HGy 1.0 0.0 5.78 826 753 A 68 THR HA A 71 LEU HBx 1.0 0.0 5.09 827 754 A 68 THR HA A 71 LEU HBy 1.0 0.0 5.09 828 755 A 72 LEU HDy% A 68 THR HG2% 1.0 0.0 3.50 829 756 A 72 LEU HDx% A 68 THR HG2% 1.0 0.0 3.58 830 757 A 37 LEU HB3 A 68 THR HG2% 1.0 0.0 5.39 831 758 A 72 LEU HG A 68 THR HG2% 1.0 0.0 4.05 832 759 A 68 THR HA A 68 THR HG2% 1.0 0.0 3.54 833 760 A 69 ASN HA A 68 THR HG2% 1.0 0.0 4.98 834 761 A 68 THR HG2% A 41 GLN HE22 1.0 0.0 4.80 835 762 A 45 PHE HD% A 68 THR HG2% 1.0 0.0 5.78 836 763 A 45 PHE HE% A 68 THR HG2% 1.0 0.0 4.87 837 764 A 41 GLN HE21 A 68 THR HG2% 1.0 0.0 5.05 838 765 A 69 ASN H A 68 THR HG2% 1.0 0.0 4.38 839 766 A 68 THR H A 68 THR HG2% 1.0 0.0 4.32 840 767 A 37 LEU HDy% A 69 ASN HA 1.0 0.0 4.43 841 768 A 72 LEU HB3 A 69 ASN HA 1.0 0.0 4.80 842 769 A 72 LEU HB2 A 69 ASN HA 1.0 0.0 4.81 843 770 A 70 ARG HA A 74 ILE HD1% 1.0 0.0 5.66 844 771 A 70 ARG HA A 73 HIS HBx 1.0 0.0 4.86 845 772 A 70 ARG HA A 73 HIS HBy 1.0 0.0 4.86 846 773 A 73 HIS H A 70 ARG HA 1.0 0.0 5.03 847 774 A 72 LEU H A 70 ARG HA 1.0 0.0 5.49 848 775 A 67 GLU HA A 70 ARG HBy 1.0 0.0 4.96 849 776 A 74 ILE HD1% A 70 ARG HDy 1.0 0.0 5.61 850 777 A 71 LEU HDx% A 71 LEU HA 1.0 0.0 4.16 851 778 A 74 ILE H A 71 LEU HA 1.0 0.0 5.15 852 779 A 72 LEU H A 71 LEU HBy 1.0 0.0 5.40 853 780 A 71 LEU HDy% A 71 LEU HBx 1.0 0.0 3.70 854 781 A 71 LEU HDy% A 71 LEU HBy 1.0 0.0 3.70 855 782 A 71 LEU HA A 71 LEU HDy% 1.0 0.0 3.36 856 783 A 74 ILE H A 71 LEU HDy% 1.0 0.0 5.48 857 784 A 71 LEU H A 71 LEU HDy% 1.0 0.0 4.14 858 785 A 71 LEU HDx% A 71 LEU HBx 1.0 0.0 3.75 859 786 A 71 LEU HDx% A 71 LEU HBy 1.0 0.0 3.75 860 787 A 71 LEU HDx% A 67 GLU HGx 1.0 0.0 4.39 861 788 A 71 LEU HDx% A 67 GLU HGy 1.0 0.0 4.39 862 789 A 71 LEU HDx% A 68 THR HA 1.0 0.0 4.11 863 790 A 71 LEU HDx% A 71 LEU H 1.0 0.0 4.29 864 791 A 71 LEU HDx% A 72 LEU H 1.0 0.0 5.06 865 792 A 72 LEU HDy% A 72 LEU HB3 1.0 0.0 4.06 866 793 A 72 LEU HDy% A 75 LYS HDx 1.0 0.0 4.12 867 793 A 72 LEU HDy% A 75 LYS HDy 1.0 0.0 4.12 868 794 A 72 LEU HDy% A 72 LEU HB2 1.0 0.0 3.61 869 795 A 72 LEU HDy% A 37 LEU HA 1.0 0.0 4.79 870 796 A 72 LEU HDy% A 72 LEU HA 1.0 0.0 3.34 871 797 A 72 LEU HDy% A 69 ASN HA 1.0 0.0 5.07 872 798 A 72 LEU HDy% A 75 LYS H 1.0 0.0 5.33 873 799 A 72 LEU H A 72 LEU HDy% 1.0 0.0 4.38 874 800 A 71 LEU H A 72 LEU HDy% 1.0 0.0 5.78 875 801 A 72 LEU HB3 A 72 LEU HDx% 1.0 0.0 4.28 876 802 A 72 LEU HB2 A 72 LEU HDx% 1.0 0.0 4.22 877 803 A 37 LEU HB3 A 72 LEU HDx% 1.0 0.0 4.65 878 804 A 72 LEU HDx% A 37 LEU HG 1.0 0.0 4.95 879 805 A 72 LEU HDx% A 37 LEU HA 1.0 0.0 4.19 880 806 A 72 LEU HDx% A 72 LEU HA 1.0 0.0 4.87 881 807 A 72 LEU HDx% A 69 ASN HA 1.0 0.0 4.67 882 808 A 37 LEU H A 72 LEU HDx% 1.0 0.0 5.52 883 809 A 69 ASN H A 72 LEU HDx% 1.0 0.0 5.44 884 810 A 38 SER H A 72 LEU HDx% 1.0 0.0 5.37 885 811 A 72 LEU HDy% A 73 HIS HA 1.0 0.0 5.78 886 812 A 74 ILE HA A 74 ILE HG1x 1.0 0.0 4.37 887 813 A 74 ILE HA A 74 ILE HG1y 1.0 0.0 4.37 888 814 A 74 ILE HA A 77 HIS HBy 1.0 0.0 4.73 889 815 A 74 ILE HB A 71 LEU HA 1.0 0.0 4.50 890 816 A 70 ARG HA A 74 ILE HG1y 1.0 0.0 5.78 891 817 A 71 LEU HA A 74 ILE HG1y 1.0 0.0 5.78 892 818 A 70 ARG HA A 74 ILE HG1x 1.0 0.0 5.78 893 819 A 71 LEU HA A 74 ILE HG1x 1.0 0.0 5.78 894 820 A 74 ILE HG2% A 74 ILE HG1x 1.0 0.0 3.98 895 821 A 74 ILE HG2% A 74 ILE HG1y 1.0 0.0 3.98 896 822 A 74 ILE HG2% A 78 GLU HGy 1.0 0.0 4.80 897 823 A 74 ILE HG2% A 74 ILE HA 1.0 0.0 3.69 898 824 A 74 ILE HG2% A 71 LEU HA 1.0 0.0 4.32 899 825 A 74 ILE HG2% A 75 LYS HA 1.0 0.0 4.51 900 826 A 74 ILE H A 74 ILE HG2% 1.0 0.0 4.03 901 827 A 74 ILE HB A 74 ILE HD1% 1.0 0.0 3.63 902 828 A 74 ILE HA A 74 ILE HD1% 1.0 0.0 4.21 903 829 A 74 ILE HD1% A 71 LEU HA 1.0 0.0 3.81 904 830 A 74 ILE H A 74 ILE HD1% 1.0 0.0 4.21 905 831 A 71 LEU H A 74 ILE HD1% 1.0 0.0 5.29 906 832 A 75 LYS HBx A 75 LYS HDx 1.0 0.0 4.17 907 832 A 75 LYS HBy A 75 LYS HDx 1.0 0.0 4.17 908 832 A 75 LYS HDy A 75 LYS HBx 1.0 0.0 4.17 909 832 A 75 LYS HDy A 75 LYS HBy 1.0 0.0 4.17 910 833 A 75 LYS H A 75 LYS HGx 1.0 0.0 5.04 911 834 A 75 LYS H A 75 LYS HGy 1.0 0.0 5.04 912 835 A 79 GLU HA A 79 GLU HGx 1.0 0.0 4.16 913 836 A 76 GLN H A 76 GLN HBy 1.0 0.0 4.23 914 837 A 36 ILE HD1% A 76 GLN HGx 1.0 0.0 5.15 915 838 A 76 GLN H A 76 GLN HGx 1.0 0.0 4.86 916 839 A 80 VAL HGy% A 76 GLN HGy 1.0 0.0 4.75 917 840 A 76 GLN H A 76 GLN HGy 1.0 0.0 4.86 918 841 A 77 HIS HA A 80 VAL HGx% 1.0 0.0 4.80 919 842 A 80 VAL HB A 77 HIS HA 1.0 0.0 4.26 920 843 A 74 ILE HA A 77 HIS HBx 1.0 0.0 4.73 921 844 A 8 GLU H A 8 GLU HGx 1.0 0.0 5.40 922 844 A 8 GLU H A 8 GLU HGy 1.0 0.0 5.40 923 845 A 41 GLN H A 40 GLU HGx 1.0 0.0 5.78 924 846 A 85 LYS HA A 85 LYS HEx 1.0 0.0 5.23 925 846 A 85 LYS HA A 85 LYS HEy 1.0 0.0 5.23 926 847 A 76 GLN HA A 79 GLU HBx 1.0 0.0 3.99 927 847 A 79 GLU HBy A 76 GLN HA 1.0 0.0 3.99 928 848 A 79 GLU HA A 79 GLU HGy 1.0 0.0 4.16 929 849 A 79 GLU H A 79 GLU HGy 1.0 0.0 4.60 930 850 A 80 VAL HB A 81 GLU HA 1.0 0.0 5.65 931 851 A 80 VAL HGx% A 84 LYS HEx 1.0 0.0 4.35 932 851 A 80 VAL HGx% A 84 LYS HEy 1.0 0.0 4.35 933 852 A 80 VAL HA A 80 VAL HGx% 1.0 0.0 3.56 934 853 A 80 VAL HGx% A 81 GLU HA 1.0 0.0 4.38 935 854 A 80 VAL H A 80 VAL HGx% 1.0 0.0 4.19 936 855 A 81 GLU H A 80 VAL HGx% 1.0 0.0 4.41 937 856 A 80 VAL HGy% A 80 VAL HA 1.0 0.0 3.18 938 857 A 80 VAL HGy% A 76 GLN HA 1.0 0.0 4.71 939 858 A 80 VAL HGy% A 77 HIS HA 1.0 0.0 4.22 940 859 A 80 VAL HGy% A 80 VAL H 1.0 0.0 3.37 941 860 A 80 VAL HGy% A 81 GLU H 1.0 0.0 4.40 942 861 A 81 GLU H A 81 GLU HBy 1.0 0.0 4.21 943 862 A 81 GLU HA A 81 GLU HGx 1.0 0.0 4.43 944 863 A 81 GLU HA A 81 GLU HGy 1.0 0.0 4.43 945 864 A 81 GLU H A 81 GLU HGy 1.0 0.0 4.42 946 865 A 49 ILE H A 48 LYS HBx 1.0 0.0 5.78 947 866 A 49 ILE H A 48 LYS HBy 1.0 0.0 5.78 948 867 A 19 LYS H A 19 LYS HGy 1.0 0.0 4.50 949 868 A 82 LYS H A 82 LYS HGy 1.0 0.0 5.28 950 869 A 83 ASP H A 82 LYS HGy 1.0 0.0 5.62 951 870 A 83 ASP HA A 82 LYS HBx 1.0 0.0 5.24 952 870 A 83 ASP HA A 82 LYS HBy 1.0 0.0 5.24 953 871 A 80 VAL HGx% A 83 ASP HBx 1.0 0.0 5.23 954 871 A 83 ASP HBy A 80 VAL HGx% 1.0 0.0 5.23 955 872 A 80 VAL HA A 83 ASP HBx 1.0 0.0 3.89 956 872 A 83 ASP HBy A 80 VAL HA 1.0 0.0 3.89 957 873 A 84 LYS H A 83 ASP HBx 1.0 0.0 4.49 958 873 A 84 LYS H A 83 ASP HBy 1.0 0.0 4.49 959 874 A 97 THR H A 96 ASP HBx 1.0 0.0 4.94 960 874 A 96 ASP HBy A 97 THR H 1.0 0.0 4.94 961 875 A 19 LYS H A 19 LYS HGx 1.0 0.0 4.50 962 876 A 83 ASP HA A 86 ALA HB% 1.0 0.0 3.55 963 877 A 86 ALA H A 86 ALA HB% 1.0 0.0 3.52 964 878 A 87 LYS HA A 87 LYS HGx 1.0 0.0 4.42 965 879 A 87 LYS HA A 87 LYS HGy 1.0 0.0 4.42 966 880 A 87 LYS HA A 87 LYS HDx 1.0 0.0 4.69 967 880 A 87 LYS HDy A 87 LYS HA 1.0 0.0 4.69 968 881 A 19 LYS HA A 19 LYS HGx 1.0 0.0 4.37 969 882 A 16 LYS H A 16 LYS HGy 1.0 0.0 5.16 970 883 A 90 LYS HA A 90 LYS HDx 1.0 0.0 5.11 971 883 A 90 LYS HA A 90 LYS HDy 1.0 0.0 5.11 972 884 A 5 THR HA A 5 THR HG2% 1.0 0.0 3.76 973 885 A 91 THR HA A 92 LEU HBx 1.0 0.0 5.64 974 886 A 91 THR HA A 92 LEU HBy 1.0 0.0 5.64 975 887 A 92 LEU H A 92 LEU HG 1.0 0.0 5.44 976 888 A 25 LYS HB2 A 49 ILE HG2% 1.0 0.0 5.75 977 889 A 72 LEU HDy% A 75 LYS HBx 1.0 0.0 4.76 978 889 A 72 LEU HDy% A 75 LYS HBy 1.0 0.0 4.76 979 890 A 58 LEU HDx% A 25 LYS HDx 1.0 0.0 5.78 980 891 A 49 ILE HG2% A 25 LYS HDx 1.0 0.0 5.09 981 892 A 58 LEU HDx% A 25 LYS HEx 1.0 0.0 5.29 982 893 A 49 ILE HG2% A 25 LYS HEx 1.0 0.0 5.10 983 894 A 58 LEU HDx% A 25 LYS HEy 1.0 0.0 5.29 984 895 A 49 ILE HG2% A 25 LYS HEy 1.0 0.0 5.10 985 896 A 25 LYS HEy A 21 LEU HDy% 1.0 0.0 5.46 986 897 A 26 ASN HA A 29 LYS HBx 1.0 0.0 5.78 987 898 A 26 ASN HA A 29 LYS HBy 1.0 0.0 5.78 988 899 A 49 ILE HD1% A 29 LYS HGx 1.0 0.0 5.78 989 900 A 49 ILE HD1% A 29 LYS HGy 1.0 0.0 5.78 990 901 A 29 LYS H A 29 LYS HGy 1.0 0.0 5.35 991 902 A 26 ASN HA A 29 LYS HDx 1.0 0.0 5.78 992 903 A 29 LYS H A 29 LYS HDx 1.0 0.0 5.78 993 904 A 49 ILE HG2% A 29 LYS HDy 1.0 0.0 5.50 994 905 A 46 LYS HA A 29 LYS HDy 1.0 0.0 5.78 995 906 A 26 ASN HA A 29 LYS HDy 1.0 0.0 5.78 996 907 A 49 ILE HG2% A 29 LYS HEx 1.0 0.0 5.78 997 908 A 29 LYS HBy A 29 LYS HEx 1.0 0.0 5.27 998 909 A 26 ASN HA A 29 LYS HEx 1.0 0.0 5.04 999 910 A 49 ILE HG2% A 29 LYS HEy 1.0 0.0 5.78 1000 911 A 29 LYS HEy A 29 LYS HBx 1.0 0.0 5.27 1001 912 A 29 LYS HEy A 29 LYS HBy 1.0 0.0 5.27 1002 913 A 46 LYS HA A 46 LYS HDy 1.0 0.0 5.78 1003 914 A 46 LYS HBx A 46 LYS HEx 1.0 0.0 5.78 1004 915 A 46 LYS HBy A 46 LYS HEx 1.0 0.0 5.78 1005 916 A 32 VAL HGx% A 46 LYS HEy 1.0 0.0 5.34 1006 917 A 46 LYS HEy A 46 LYS HBx 1.0 0.0 5.78 1007 918 A 43 ASN HA A 46 LYS HEy 1.0 0.0 5.07 1008 919 A 42 LYS H A 42 LYS HGx 1.0 0.0 5.78 1009 920 A 42 LYS H A 42 LYS HGy 1.0 0.0 5.78 1010 921 A 33 ASP HA A 42 LYS HDx 1.0 0.0 5.78 1011 922 A 33 ASP HA A 42 LYS HDy 1.0 0.0 5.78 1012 923 A 35 THR HG1 A 42 LYS HEx 1.0 0.0 5.43 1013 924 A 35 THR HG1 A 42 LYS HEy 1.0 0.0 5.43 1014 925 A 9 THR HG2% A 9 THR H 1.0 0.0 4.57 1015 926 A 12 THR HG2% A 13 ASP H 1.0 0.0 4.83 1016 927 A 15 GLY HAy A 16 LYS HBx 1.0 0.0 5.64 1017 927 A 15 GLY HAx A 16 LYS HBx 1.0 0.0 5.64 1018 927 A 16 LYS HBy A 15 GLY HAx 1.0 0.0 5.64 1019 927 A 16 LYS HBy A 15 GLY HAy 1.0 0.0 5.64 1020 928 A 17 ARG HA A 17 ARG HDx 1.0 0.0 5.15 1021 928 A 17 ARG HDy A 17 ARG HA 1.0 0.0 5.15 1022 929 A 17 ARG HA A 20 GLN HBx 1.0 0.0 3.80 1023 929 A 20 GLN HBy A 17 ARG HA 1.0 0.0 3.80 1024 930 A 18 GLU H A 17 ARG HGx 1.0 0.0 5.78 1025 931 A 17 ARG HDy A 20 GLN HBx 1.0 0.0 5.78 1026 931 A 17 ARG HDx A 20 GLN HBx 1.0 0.0 5.78 1027 931 A 20 GLN HBy A 17 ARG HDx 1.0 0.0 5.78 1028 931 A 20 GLN HBy A 17 ARG HDy 1.0 0.0 5.78 1029 932 A 21 LEU HG A 18 GLU HA 1.0 0.0 5.40 1030 933 A 15 GLY HAy A 18 GLU HGx 1.0 0.0 5.37 1031 933 A 15 GLY HAx A 18 GLU HGx 1.0 0.0 5.37 1032 933 A 18 GLU HGy A 15 GLY HAx 1.0 0.0 5.37 1033 933 A 18 GLU HGy A 15 GLY HAy 1.0 0.0 5.37 1034 934 A 22 GLN H A 18 GLU HGx 1.0 0.0 5.78 1035 934 A 18 GLU HGy A 22 GLN H 1.0 0.0 5.78 1036 935 A 19 LYS HA A 19 LYS HGy 1.0 0.0 4.37 1037 936 A 19 LYS HEx A 19 LYS HGy 1.0 0.0 4.32 1038 936 A 19 LYS HEy A 19 LYS HGy 1.0 0.0 4.32 1039 937 A 19 LYS HEy A 19 LYS HGx 1.0 0.0 4.32 1040 937 A 19 LYS HGx A 19 LYS HEx 1.0 0.0 4.32 1041 938 A 21 LEU H A 20 GLN HBx 1.0 0.0 4.25 1042 938 A 20 GLN HBy A 21 LEU H 1.0 0.0 4.25 1043 939 A 89 GLN H A 89 GLN HGx 1.0 0.0 5.78 1044 939 A 89 GLN H A 89 GLN HGy 1.0 0.0 5.78 1045 940 A 90 LYS H A 89 GLN HGx 1.0 0.0 5.47 1046 940 A 89 GLN HGy A 90 LYS H 1.0 0.0 5.47 1047 941 A 21 LEU HG A 22 GLN H 1.0 0.0 5.66 1048 942 A 21 LEU HDx% A 25 LYS HEx 1.0 0.0 5.46 1049 943 A 21 LEU HDx% A 25 LYS HEy 1.0 0.0 5.46 1050 944 A 22 GLN H A 21 LEU HDx% 1.0 0.0 5.29 1051 945 A 21 LEU HDy% A 25 LYS HEx 1.0 0.0 5.46 1052 946 A 22 GLN HA A 25 LYS HGx 1.0 0.0 5.78 1053 947 A 24 TRP H A 22 GLN HA 1.0 0.0 5.30 1054 948 A 23 GLN HA A 26 ASN HD22 1.0 0.0 5.61 1055 949 A 41 GLN HA A 45 PHE HD% 1.0 0.0 5.78 1056 950 A 25 LYS HA A 28 LEU HB3 1.0 0.0 5.46 1057 951 A 28 LEU HA A 62 GLU HGx 1.0 0.0 5.42 1058 951 A 62 GLU HGy A 28 LEU HA 1.0 0.0 5.42 1059 952 A 28 LEU HB3 A 65 PHE HE% 1.0 0.0 5.78 1060 953 A 28 LEU HB2 A 49 ILE HD1% 1.0 0.0 5.78 1061 954 A 27 ASN HD21 A 30 ASN HBx 1.0 0.0 5.20 1062 954 A 30 ASN HBy A 27 ASN HD21 1.0 0.0 5.20 1063 955 A 32 VAL HGy% A 49 ILE HG2% 1.0 0.0 4.65 1064 956 A 32 VAL HGy% A 42 LYS HA 1.0 0.0 5.44 1065 957 A 46 LYS HA A 32 VAL HGy% 1.0 0.0 5.41 1066 958 A 35 THR HG1 A 32 VAL HGy% 1.0 0.0 5.54 1067 959 A 31 ASP HA A 32 VAL HGy% 1.0 0.0 5.78 1068 960 A 32 VAL HGy% A 33 ASP HA 1.0 0.0 5.78 1069 961 A 35 THR H A 32 VAL HGy% 1.0 0.0 5.57 1070 962 A 46 LYS H A 32 VAL HGy% 1.0 0.0 5.58 1071 963 A 32 VAL HGx% A 46 LYS HEx 1.0 0.0 5.34 1072 964 A 32 VAL HGx% A 42 LYS HEx 1.0 0.0 5.37 1073 965 A 32 VAL HGx% A 42 LYS HEy 1.0 0.0 5.37 1074 966 A 32 VAL HGx% A 45 PHE HA 1.0 0.0 5.42 1075 967 A 32 VAL HGx% A 43 ASN H 1.0 0.0 5.45 1076 968 A 33 ASP HA A 42 LYS HEx 1.0 0.0 4.84 1077 969 A 35 THR H A 36 ILE HG2% 1.0 0.0 5.78 1078 970 A 76 GLN HE22 A 36 ILE HG2% 1.0 0.0 5.32 1079 971 A 69 ASN HD22 A 36 ILE HG2% 1.0 0.0 5.60 1080 972 A 73 HIS HA A 36 ILE HG2% 1.0 0.0 5.58 1081 973 A 35 THR HG2% A 36 ILE HG2% 1.0 0.0 5.13 1082 974 A 68 THR HG2% A 37 LEU HA 1.0 0.0 5.78 1083 975 A 35 THR HB A 37 LEU HG 1.0 0.0 5.67 1084 976 A 35 THR HG1 A 37 LEU HDx% 1.0 0.0 5.49 1085 977 A 37 LEU HDx% A 41 GLN HE22 1.0 0.0 5.53 1086 978 A 35 THR H A 37 LEU HDx% 1.0 0.0 4.99 1087 979 A 32 VAL H A 37 LEU HDx% 1.0 0.0 5.78 1088 980 A 37 LEU HDx% A 45 PHE H 1.0 0.0 5.78 1089 981 A 37 LEU HDx% A 69 ASN H 1.0 0.0 5.30 1090 982 A 37 LEU HDy% A 41 GLN HBy 1.0 0.0 5.07 1091 983 A 37 LEU HDy% A 68 THR H 1.0 0.0 5.18 1092 984 A 37 LEU HDy% A 69 ASN HD21 1.0 0.0 5.78 1093 985 A 37 LEU HDy% A 69 ASN HB3 1.0 0.0 5.17 1094 986 A 32 VAL HA A 37 LEU HDy% 1.0 0.0 5.30 1095 987 A 39 HIS HA A 42 LYS HBx 1.0 0.0 5.09 1096 988 A 38 SER HA A 39 HIS HBx 1.0 0.0 5.78 1097 989 A 38 SER HA A 39 HIS HBy 1.0 0.0 5.78 1098 990 A 41 GLN H A 40 GLU HGy 1.0 0.0 5.78 1099 991 A 37 LEU HB3 A 41 GLN HBy 1.0 0.0 5.34 1100 992 A 37 LEU HB2 A 41 GLN HBy 1.0 0.0 5.73 1101 993 A 37 LEU HDy% A 41 GLN HGx 1.0 0.0 5.78 1102 993 A 37 LEU HDy% A 41 GLN HGy 1.0 0.0 5.78 1103 994 A 45 PHE HB3 A 42 LYS HA 1.0 0.0 5.52 1104 995 A 45 PHE HD% A 42 LYS HA 1.0 0.0 5.78 1105 996 A 46 LYS H A 42 LYS HA 1.0 0.0 5.78 1106 997 A 43 ASN HA A 46 LYS HEx 1.0 0.0 5.07 1107 998 A 47 THR HA A 51 GLU H 1.0 0.0 5.67 1108 999 A 47 THR HG2% A 51 GLU HGy 1.0 0.0 4.87 1109 1000 A 48 LYS HA A 61 LEU HDx% 1.0 0.0 5.78 1110 1001 A 61 LEU HDx% A 48 LYS HEx 1.0 0.0 5.73 1111 1001 A 61 LEU HDx% A 48 LYS HEy 1.0 0.0 5.73 1112 1002 A 45 PHE HA A 48 LYS HEx 1.0 0.0 5.37 1113 1002 A 45 PHE HA A 48 LYS HEy 1.0 0.0 5.37 1114 1003 A 58 LEU HA A 49 ILE HG2% 1.0 0.0 5.55 1115 1004 A 25 LYS H A 49 ILE HG2% 1.0 0.0 5.31 1116 1005 A 49 ILE HD1% A 61 LEU HDy% 1.0 0.0 5.42 1117 1006 A 28 LEU HB3 A 49 ILE HD1% 1.0 0.0 4.74 1118 1007 A 28 LEU HG A 49 ILE HD1% 1.0 0.0 5.03 1119 1008 A 45 PHE HB3 A 49 ILE HD1% 1.0 0.0 4.99 1120 1009 A 31 ASP HB2 A 49 ILE HD1% 1.0 0.0 5.74 1121 1010 A 32 VAL HA A 49 ILE HD1% 1.0 0.0 5.78 1122 1011 A 45 PHE HB2 A 49 ILE HD1% 1.0 0.0 5.52 1123 1012 A 32 VAL H A 49 ILE HD1% 1.0 0.0 5.42 1124 1013 A 50 ASP HA A 25 LYS HDx 1.0 0.0 5.60 1125 1014 A 48 LYS HA A 51 GLU HBy 1.0 0.0 5.04 1126 1015 A 52 THR HG2% A 58 LEU HDx% 1.0 0.0 4.40 1127 1016 A 52 THR HG2% A 57 ALA HB% 1.0 0.0 3.40 1128 1017 A 52 THR HG2% A 49 ILE HA 1.0 0.0 4.76 1129 1018 A 52 THR HG2% A 53 ASN HA 1.0 0.0 5.06 1130 1019 A 52 THR HG2% A 54 ASP HBx 1.0 0.0 5.78 1131 1020 A 52 THR HG2% A 54 ASP HBy 1.0 0.0 5.78 1132 1021 A 57 ALA HB% A 60 GLU HBx 1.0 0.0 4.66 1133 1021 A 57 ALA HB% A 60 GLU HBy 1.0 0.0 4.66 1134 1022 A 57 ALA HB% A 58 LEU H 1.0 0.0 4.19 1135 1023 A 52 THR HG2% A 58 LEU HDy% 1.0 0.0 3.99 1136 1024 A 58 LEU HDx% A 24 TRP HD1 1.0 0.0 5.73 1137 1025 A 55 SER HA A 58 LEU HDy% 1.0 0.0 5.50 1138 1026 A 62 GLU H A 58 LEU HDy% 1.0 0.0 5.57 1139 1027 A 59 LEU HA A 62 GLU HBx 1.0 0.0 4.84 1140 1028 A 59 LEU HB2 A 57 ALA HA 1.0 0.0 5.78 1141 1029 A 59 LEU HB2 A 24 TRP HH2 1.0 0.0 5.78 1142 1030 A 59 LEU HDx% A 60 GLU H 1.0 0.0 5.78 1143 1031 A 56 ASP HA A 59 LEU HDy% 1.0 0.0 5.71 1144 1032 A 24 TRP HE1 A 59 LEU HDy% 1.0 0.0 5.34 1145 1033 A 63 ASN H A 60 GLU HGy 1.0 0.0 5.78 1146 1034 A 45 PHE HD% A 61 LEU HA 1.0 0.0 5.78 1147 1035 A 61 LEU HDy% A 48 LYS HEx 1.0 0.0 4.71 1148 1035 A 61 LEU HDy% A 48 LYS HEy 1.0 0.0 4.71 1149 1036 A 49 ILE HA A 61 LEU HDy% 1.0 0.0 5.41 1150 1037 A 61 LEU HDy% A 58 LEU HA 1.0 0.0 5.27 1151 1038 A 48 LYS HA A 61 LEU HDy% 1.0 0.0 5.12 1152 1039 A 45 PHE HA A 61 LEU HDy% 1.0 0.0 4.58 1153 1040 A 61 LEU HDy% A 64 GLN H 1.0 0.0 5.66 1154 1041 A 61 LEU HDx% A 58 LEU HDy% 1.0 0.0 3.92 1155 1042 A 61 LEU HDx% A 48 LYS HBx 1.0 0.0 4.60 1156 1043 A 61 LEU HDx% A 52 THR HG1 1.0 0.0 5.48 1157 1044 A 61 LEU HDx% A 45 PHE HE% 1.0 0.0 5.78 1158 1045 A 51 GLU H A 61 LEU HDx% 1.0 0.0 5.59 1159 1046 A 61 LEU HDx% A 58 LEU H 1.0 0.0 5.62 1160 1047 A 64 GLN H A 63 ASN HBx 1.0 0.0 4.74 1161 1048 A 29 LYS H A 30 ASN HBx 1.0 0.0 5.15 1162 1048 A 29 LYS H A 30 ASN HBy 1.0 0.0 5.15 1163 1049 A 71 LEU HDy% A 67 GLU HGy 1.0 0.0 5.33 1164 1050 A 70 ARG H A 70 ARG HGx 1.0 0.0 5.59 1165 1051 A 70 ARG H A 70 ARG HGy 1.0 0.0 5.59 1166 1052 A 71 LEU HDy% A 67 GLU HGx 1.0 0.0 5.33 1167 1053 A 72 LEU H A 71 LEU HDy% 1.0 0.0 5.78 1168 1054 A 72 LEU HDy% A 36 ILE HD1% 1.0 0.0 4.79 1169 1055 A 72 LEU HDy% A 75 LYS HEx 1.0 0.0 5.07 1170 1055 A 72 LEU HDy% A 75 LYS HEy 1.0 0.0 5.07 1171 1056 A 73 HIS H A 72 LEU HDx% 1.0 0.0 5.63 1172 1057 A 74 ILE HG2% A 78 GLU HGx 1.0 0.0 4.80 1173 1058 A 74 ILE HD1% A 70 ARG HDx 1.0 0.0 5.61 1174 1059 A 80 VAL HGy% A 79 GLU HBx 1.0 0.0 4.97 1175 1059 A 80 VAL HGy% A 79 GLU HBy 1.0 0.0 4.97 1176 1060 A 84 LYS H A 80 VAL HGx% 1.0 0.0 5.09 1177 1061 A 80 VAL HGy% A 83 ASP HBx 1.0 0.0 5.08 1178 1061 A 80 VAL HGy% A 83 ASP HBy 1.0 0.0 5.08 1179 1062 A 16 LYS HBx A 16 LYS HEx 1.0 0.0 4.41 1180 1062 A 16 LYS HBy A 16 LYS HEx 1.0 0.0 4.41 1181 1062 A 16 LYS HEy A 16 LYS HBx 1.0 0.0 4.41 1182 1062 A 16 LYS HBy A 16 LYS HEy 1.0 0.0 4.41 1183 1063 A 16 LYS HA A 16 LYS HDx 1.0 0.0 3.87 1184 1063 A 16 LYS HA A 16 LYS HDy 1.0 0.0 3.87 1185 1064 A 81 GLU HA A 84 LYS HDx 1.0 0.0 4.53 1186 1064 A 81 GLU HA A 84 LYS HDy 1.0 0.0 4.53 1187 1065 A 84 LYS HA A 84 LYS HDx 1.0 0.0 4.94 1188 1065 A 84 LYS HDy A 84 LYS HA 1.0 0.0 4.94 1189 1066 A 82 LYS H A 82 LYS HDx 1.0 0.0 5.78 1190 1066 A 82 LYS H A 82 LYS HDy 1.0 0.0 5.78 1191 1067 A 82 LYS HDx A 83 ASP HBx 1.0 0.0 5.33 1192 1067 A 82 LYS HDy A 83 ASP HBx 1.0 0.0 5.33 1193 1067 A 83 ASP HBy A 82 LYS HDx 1.0 0.0 5.33 1194 1067 A 83 ASP HBy A 82 LYS HDy 1.0 0.0 5.33 1195 1068 A 82 LYS HBy A 83 ASP HBx 1.0 0.0 5.37 1196 1068 A 83 ASP HBy A 82 LYS HBx 1.0 0.0 5.37 1197 1068 A 83 ASP HBy A 82 LYS HBy 1.0 0.0 5.37 1198 1068 A 82 LYS HBx A 83 ASP HBx 1.0 0.0 5.37 1199 1069 A 83 ASP HBx A 84 LYS HBx 1.0 0.0 5.60 1200 1069 A 83 ASP HBy A 84 LYS HBx 1.0 0.0 5.60 1201 1069 A 84 LYS HBy A 83 ASP HBx 1.0 0.0 5.60 1202 1069 A 84 LYS HBy A 83 ASP HBy 1.0 0.0 5.60 1203 1070 A 84 LYS HA A 83 ASP HBx 1.0 0.0 5.12 1204 1070 A 83 ASP HBy A 84 LYS HA 1.0 0.0 5.12 1205 1071 A 80 VAL HGx% A 84 LYS HBx 1.0 0.0 4.98 1206 1071 A 84 LYS HBy A 80 VAL HGx% 1.0 0.0 4.98 1207 1072 A 86 ALA HB% A 83 ASP HBx 1.0 0.0 4.84 1208 1072 A 83 ASP HBy A 86 ALA HB% 1.0 0.0 4.84 1209 1073 A 50 ASP HA A 25 LYS HDy 1.0 0.0 5.60 1210 1074 A 29 LYS HA A 29 LYS HDy 1.0 0.0 5.78 1211 1075 A 49 ILE HG2% A 29 LYS HDx 1.0 0.0 5.50 1212 1076 A 29 LYS HA A 29 LYS HDx 1.0 0.0 5.78 1213 1077 A 46 LYS HA A 29 LYS HDx 1.0 0.0 5.78 1214 1078 A 46 LYS HA A 46 LYS HDx 1.0 0.0 5.78 1215 1079 A 29 LYS HBx A 29 LYS HEx 1.0 0.0 5.27 1216 1080 A 46 LYS HEy A 46 LYS HBy 1.0 0.0 5.78 1217 1081 A 58 LEU HDx% A 53 ASN HA 1.0 0.0 4.94 1218 1082 A 57 ALA HA A 60 GLU HBx 1.0 0.0 4.06 1219 1082 A 60 GLU HBy A 57 ALA HA 1.0 0.0 4.06 1220 1083 A 60 GLU H A 57 ALA HA 1.0 0.0 4.86 1221 1084 A 61 LEU H A 57 ALA HA 1.0 0.0 5.46 1222 1085 A 86 ALA HA A 89 GLN HBx 1.0 0.0 5.25 1223 1086 A 86 ALA HA A 89 GLN HBy 1.0 0.0 5.25 1224 1087 A 86 ALA HA A 89 GLN HGx 1.0 0.0 5.52 1225 1087 A 89 GLN HGy A 86 ALA HA 1.0 0.0 5.52 1226 1088 A 19 LYS HA A 22 GLN HGx 1.0 0.0 4.89 1227 1088 A 19 LYS HA A 22 GLN HGy 1.0 0.0 4.89 1228 1089 A 58 LEU HDx% A 25 LYS HDy 1.0 0.0 5.78 1229 1090 A 26 ASN HA A 26 ASN HD21 1.0 0.0 5.70 1230 1091 A 27 ASN HA A 30 ASN HD21 1.0 0.0 5.22 1231 1092 A 30 ASN H A 27 ASN HA 1.0 0.0 5.01 1232 1093 A 62 GLU HA A 28 LEU HDx% 1.0 0.0 5.78 1233 1094 A 31 ASP HA A 34 ASN HD21 1.0 0.0 4.89 1234 1095 A 36 ILE HD1% A 72 LEU HDx% 1.0 0.0 4.25 1235 1096 A 36 ILE HD1% A 76 GLN HGy 1.0 0.0 5.15 1236 1097 A 37 LEU HB2 A 41 GLN HBx 1.0 0.0 5.73 1237 1098 A 37 LEU HB3 A 41 GLN HBx 1.0 0.0 5.34 1238 1099 A 37 LEU HDy% A 72 LEU HG 1.0 0.0 4.47 1239 1100 A 37 LEU HDy% A 41 GLN HBx 1.0 0.0 5.07 1240 1101 A 48 LYS HA A 51 GLU HGx 1.0 0.0 5.17 1241 1102 A 49 ILE HG2% A 58 LEU HDy% 1.0 0.0 4.13 1242 1103 A 57 ALA HB% A 58 LEU HA 1.0 0.0 5.45 1243 1104 A 52 THR HB A 57 ALA HB% 1.0 0.0 5.26 1244 1105 A 28 LEU HB2 A 58 LEU HDy% 1.0 0.0 5.21 1245 1106 A 59 LEU HB2 A 60 GLU HA 1.0 0.0 5.04 1246 1107 A 45 PHE HD% A 65 PHE HBy 1.0 0.0 5.78 1247 1108 A 45 PHE HZ A 65 PHE HBy 1.0 0.0 5.78 1248 1109 A 64 GLN HA A 67 GLU HGx 1.0 0.0 5.78 1249 1110 A 64 GLN HA A 67 GLU HGy 1.0 0.0 5.78 1250 1111 A 68 THR HA A 71 LEU HDy% 1.0 0.0 5.10 1251 1112 A 72 LEU H A 75 LYS HBx 1.0 0.0 5.38 1252 1112 A 72 LEU H A 75 LYS HBy 1.0 0.0 5.38 1253 1113 A 80 VAL HA A 79 GLU HBx 1.0 0.0 5.37 1254 1113 A 79 GLU HBy A 80 VAL HA 1.0 0.0 5.37 1255 1114 A 80 VAL HGy% A 76 GLN HGx 1.0 0.0 4.75 1256 1115 A 16 LYS H A 16 LYS HDx 1.0 0.0 5.08 1257 1115 A 16 LYS H A 16 LYS HDy 1.0 0.0 5.08 1258 1116 A 84 LYS H A 84 LYS HDx 1.0 0.0 5.02 1259 1116 A 84 LYS H A 84 LYS HDy 1.0 0.0 5.02 1260 1117 A 89 GLN H A 88 GLN HBx 1.0 0.0 5.51 1261 1118 A 45 PHE HD% A 65 PHE HBx 1.0 0.0 5.78 1262 1119 A 45 PHE HD% A 45 PHE HA 1.0 0.0 4.22 1263 1120 A 45 PHE HE% A 64 GLN HBx 1.0 0.0 5.03 1264 1121 A 45 PHE HE% A 64 GLN HBy 1.0 0.0 5.03 1265 1122 A 61 LEU HA A 45 PHE HE% 1.0 0.0 5.09 1266 1123 A 45 PHE HA A 45 PHE HE% 1.0 0.0 5.27 1267 1124 A 45 PHE HZ A 64 GLN HBx 1.0 0.0 5.02 1268 1125 A 45 PHE HZ A 64 GLN HBy 1.0 0.0 5.02 1269 1126 A 49 ILE HD1% A 65 PHE HD% 1.0 0.0 5.03 1270 1127 A 37 LEU HDx% A 65 PHE HD% 1.0 0.0 4.60 1271 1128 A 35 THR HG2% A 65 PHE HD% 1.0 0.0 4.14 1272 1129 A 32 VAL HA A 65 PHE HD% 1.0 0.0 5.20 1273 1130 A 65 PHE HD% A 62 GLU HA 1.0 0.0 4.76 1274 1131 A 65 PHE HD% A 65 PHE HA 1.0 0.0 4.60 1275 1132 A 65 PHE HD% A 66 ASN HA 1.0 0.0 5.10 1276 1133 A 45 PHE HD% A 65 PHE HD% 1.0 0.0 5.18 1277 1134 A 31 ASP HB2 A 65 PHE HE% 1.0 0.0 5.35 1278 1135 A 32 VAL HA A 65 PHE HE% 1.0 0.0 5.78 1279 1136 A 31 ASP HB3 A 65 PHE HE% 1.0 0.0 5.15 1280 1137 A 31 ASP HB3 A 65 PHE HZ 1.0 0.0 5.35 1281 1138 A 39 HIS HD2 A 40 GLU HGx 1.0 0.0 5.37 1282 1139 A 36 ILE HD1% A 73 HIS HD2 1.0 0.0 4.78 1283 1140 A 36 ILE HG2% A 73 HIS HD2 1.0 0.0 5.01 1284 1141 A 73 HIS HA A 73 HIS HD2 1.0 0.0 4.83 1285 1142 A 70 ARG HA A 73 HIS HD2 1.0 0.0 4.97 1286 1143 A 73 HIS H A 73 HIS HD2 1.0 0.0 4.43 1287 1144 A 36 ILE HD1% A 73 HIS HE1 1.0 0.0 4.32 1288 1145 A 36 ILE HG2% A 73 HIS HE1 1.0 0.0 3.94 1289 1146 A 73 HIS HE1 A 36 ILE HG1x 1.0 0.0 4.96 1290 1147 A 73 HIS HE1 A 36 ILE HG1y 1.0 0.0 4.96 1291 1148 A 35 THR HA A 73 HIS HE1 1.0 0.0 5.05 1292 1149 A 69 ASN HD22 A 73 HIS HE1 1.0 0.0 4.04 1293 1150 A 77 HIS HD2 A 81 GLU HGx 1.0 0.0 5.06 1294 1151 A 77 HIS HD2 A 81 GLU HGy 1.0 0.0 5.06 1295 1152 A 74 ILE HA A 77 HIS HD2 1.0 0.0 5.32 1296 1153 A 77 HIS HD2 A 78 GLU HA 1.0 0.0 5.03 1297 1154 A 77 HIS HA A 77 HIS HD2 1.0 0.0 4.77 1298 1155 A 77 HIS HE1 A 81 GLU HGx 1.0 0.0 5.30 1299 1156 A 24 TRP HD1 A 28 LEU HDx% 1.0 0.0 4.76 1300 1157 A 24 TRP HD1 A 28 LEU HDy% 1.0 0.0 4.76 1301 1158 A 28 LEU HG A 24 TRP HD1 1.0 0.0 4.26 1302 1159 A 24 TRP HD1 A 27 ASN HBx 1.0 0.0 4.92 1303 1160 A 24 TRP HA A 24 TRP HD1 1.0 0.0 3.63 1304 1161 A 27 ASN H A 24 TRP HD1 1.0 0.0 4.58 1305 1162 A 28 LEU H A 24 TRP HD1 1.0 0.0 5.18 1306 1163 A 24 TRP HE3 A 58 LEU HDx% 1.0 0.0 5.09 1307 1164 A 24 TRP HE3 A 21 LEU HA 1.0 0.0 5.05 1308 1165 A 24 TRP HH2 A 58 LEU HBx 1.0 0.0 5.21 1309 1166 A 59 LEU HDx% A 24 TRP HH2 1.0 0.0 4.77 1310 1167 A 59 LEU HDy% A 24 TRP HH2 1.0 0.0 4.60 1311 1168 A 24 TRP HH2 A 58 LEU HBy 1.0 0.0 5.21 1312 1169 A 59 LEU HG A 24 TRP HH2 1.0 0.0 4.53 1313 1170 A 55 SER HA A 24 TRP HH2 1.0 0.0 4.99 1314 1171 A 59 LEU HA A 24 TRP HH2 1.0 0.0 5.31 1315 1172 A 59 LEU H A 24 TRP HH2 1.0 0.0 5.01 1316 1173 A 59 LEU HDy% A 24 TRP HZ2 1.0 0.0 4.21 1317 1174 A 59 LEU HG A 24 TRP HZ2 1.0 0.0 4.57 1318 1175 A 59 LEU HA A 24 TRP HZ2 1.0 0.0 5.11 1319 1176 A 58 LEU HDx% A 24 TRP HZ3 1.0 0.0 4.95 1320 1177 A 24 TRP HZ3 A 55 SER HBy 1.0 0.0 5.53 1321 1178 A 55 SER HA A 24 TRP HZ3 1.0 0.0 4.86 1322 1179 A 45 PHE HZ A 65 PHE HBx 1.0 0.0 5.78 1323 1180 A 61 LEU HDy% A 45 PHE HZ 1.0 0.0 5.30 1324 1181 A 37 LEU HDx% A 45 PHE HZ 1.0 0.0 5.27 1325 1182 A 45 PHE HZ A 68 THR HG2% 1.0 0.0 5.45 1326 1183 A 45 PHE HZ A 65 PHE HA 1.0 0.0 5.20 1327 1184 A 61 LEU HA A 45 PHE HZ 1.0 0.0 5.78 1328 1185 A 45 PHE HZ A 64 GLN HA 1.0 0.0 5.78 1329 1186 A 31 ASP HB2 A 65 PHE HZ 1.0 0.0 5.41 1330 1187 A 40 GLU HA A 39 HIS HD2 1.0 0.0 4.82 1331 1188 A 39 HIS HD2 A 40 GLU HGy 1.0 0.0 5.37 1332 1189 A 43 ASN HD22 A 39 HIS HE1 1.0 0.0 4.98 1333 1190 A 72 LEU HDx% A 73 HIS HD2 1.0 0.0 5.41 1334 1191 A 74 ILE H A 73 HIS HD2 1.0 0.0 5.45 1335 1192 A 72 LEU HDx% A 73 HIS HE1 1.0 0.0 5.78 1336 1193 A 80 VAL HGx% A 77 HIS HE1 1.0 0.0 5.78 1337 1194 A 77 HIS HE1 A 81 GLU HGy 1.0 0.0 5.30 1338 1195 A 24 TRP HD1 A 27 ASN HBy 1.0 0.0 4.92 1339 1196 A 59 LEU HDx% A 24 TRP HZ2 1.0 0.0 4.98 1340 1197 A 24 TRP HZ2 A 62 GLU HGx 1.0 0.0 5.78 1341 1197 A 62 GLU HGy A 24 TRP HZ2 1.0 0.0 5.78 1342 1198 A 14 THR HA A 17 ARG HGy 1.0 0.0 5.29 1343 1198 A 14 THR HA A 17 ARG HGx 1.0 0.0 5.29 1344 1199 A 16 LYS H A 16 LYS HGy 1.0 0.0 4.34 1345 1199 A 16 LYS H A 16 LYS HGx 1.0 0.0 4.34 1346 1200 A 17 ARG H A 17 ARG HGy 1.0 0.0 4.41 1347 1200 A 17 ARG H A 17 ARG HGx 1.0 0.0 4.41 1348 1201 A 17 ARG HA A 17 ARG HGy 1.0 0.0 3.91 1349 1201 A 17 ARG HA A 17 ARG HGx 1.0 0.0 3.91 1350 1202 A 18 GLU H A 17 ARG HGy 1.0 0.0 4.98 1351 1202 A 18 GLU H A 17 ARG HGx 1.0 0.0 4.98 1352 1203 A 17 ARG HDy A 21 LEU HDy% 1.0 0.0 5.67 1353 1203 A 17 ARG HDx A 21 LEU HDy% 1.0 0.0 5.67 1354 1203 A 21 LEU HDx% A 17 ARG HDx 1.0 0.0 5.67 1355 1203 A 17 ARG HDy A 21 LEU HDx% 1.0 0.0 5.67 1356 1204 A 18 GLU HA A 21 LEU HBy 1.0 0.0 3.77 1357 1204 A 18 GLU HA A 21 LEU HBx 1.0 0.0 3.77 1358 1205 A 19 LYS H A 20 GLN HGy 1.0 0.0 5.61 1359 1205 A 19 LYS H A 20 GLN HGx 1.0 0.0 5.61 1360 1206 A 19 LYS HA A 19 LYS HGy 1.0 0.0 3.83 1361 1206 A 19 LYS HA A 19 LYS HGx 1.0 0.0 3.83 1362 1207 A 19 LYS HEx A 19 LYS HGy 1.0 0.0 3.65 1363 1207 A 19 LYS HGx A 19 LYS HEx 1.0 0.0 3.65 1364 1207 A 19 LYS HEy A 19 LYS HGx 1.0 0.0 3.65 1365 1207 A 19 LYS HEy A 19 LYS HGy 1.0 0.0 3.65 1366 1208 A 20 GLN H A 19 LYS HGy 1.0 0.0 5.61 1367 1208 A 20 GLN H A 19 LYS HGx 1.0 0.0 5.61 1368 1209 A 20 GLN H A 20 GLN HGy 1.0 0.0 4.21 1369 1209 A 20 GLN H A 20 GLN HGx 1.0 0.0 4.21 1370 1210 A 20 GLN HA A 23 GLN HBy 1.0 0.0 4.50 1371 1210 A 20 GLN HA A 23 GLN HBx 1.0 0.0 4.50 1372 1211 A 21 LEU H A 20 GLN HGy 1.0 0.0 5.61 1373 1211 A 21 LEU H A 20 GLN HGx 1.0 0.0 5.61 1374 1212 A 21 LEU H A 21 LEU HDy% 1.0 0.0 4.11 1375 1212 A 21 LEU H A 21 LEU HDx% 1.0 0.0 4.11 1376 1213 A 21 LEU HA A 21 LEU HDy% 1.0 0.0 3.51 1377 1213 A 21 LEU HA A 21 LEU HDx% 1.0 0.0 3.51 1378 1214 A 21 LEU HA A 24 TRP HBy 1.0 0.0 4.44 1379 1214 A 21 LEU HA A 24 TRP HBx 1.0 0.0 4.44 1380 1215 A 21 LEU HBy A 21 LEU HDy% 1.0 0.0 2.95 1381 1215 A 21 LEU HBx A 21 LEU HDy% 1.0 0.0 2.95 1382 1215 A 21 LEU HDx% A 21 LEU HBy 1.0 0.0 2.95 1383 1215 A 21 LEU HDx% A 21 LEU HBx 1.0 0.0 2.95 1384 1216 A 22 GLN H A 21 LEU HBy 1.0 0.0 4.23 1385 1216 A 22 GLN H A 21 LEU HBx 1.0 0.0 4.23 1386 1217 A 22 GLN HA A 21 LEU HBy 1.0 0.0 5.61 1387 1217 A 22 GLN HA A 21 LEU HBx 1.0 0.0 5.61 1388 1218 A 21 LEU HG A 25 LYS HEx 1.0 0.0 5.45 1389 1218 A 21 LEU HG A 25 LYS HEy 1.0 0.0 5.45 1390 1219 A 21 LEU HDy% A 24 TRP HBy 1.0 0.0 4.78 1391 1219 A 21 LEU HDx% A 24 TRP HBy 1.0 0.0 4.78 1392 1219 A 24 TRP HBx A 21 LEU HDy% 1.0 0.0 4.78 1393 1219 A 21 LEU HDx% A 24 TRP HBx 1.0 0.0 4.78 1394 1220 A 24 TRP HE3 A 21 LEU HDy% 1.0 0.0 3.75 1395 1220 A 24 TRP HE3 A 21 LEU HDx% 1.0 0.0 3.75 1396 1221 A 24 TRP HZ3 A 21 LEU HDy% 1.0 0.0 4.42 1397 1221 A 24 TRP HZ3 A 21 LEU HDx% 1.0 0.0 4.42 1398 1222 A 25 LYS H A 21 LEU HDy% 1.0 0.0 5.20 1399 1222 A 25 LYS H A 21 LEU HDx% 1.0 0.0 5.20 1400 1223 A 21 LEU HDx% A 25 LYS HDy 1.0 0.0 4.17 1401 1223 A 21 LEU HDy% A 25 LYS HDy 1.0 0.0 4.17 1402 1223 A 25 LYS HDx A 21 LEU HDy% 1.0 0.0 4.17 1403 1223 A 21 LEU HDx% A 25 LYS HDx 1.0 0.0 4.17 1404 1224 A 21 LEU HDy% A 25 LYS HEx 1.0 0.0 3.77 1405 1224 A 21 LEU HDx% A 25 LYS HEx 1.0 0.0 3.77 1406 1224 A 25 LYS HEy A 21 LEU HDy% 1.0 0.0 3.77 1407 1224 A 21 LEU HDx% A 25 LYS HEy 1.0 0.0 3.77 1408 1225 A 53 ASN HA A 21 LEU HDy% 1.0 0.0 3.94 1409 1225 A 53 ASN HA A 21 LEU HDx% 1.0 0.0 3.94 1410 1226 A 21 LEU HDy% A 53 ASN HBy 1.0 0.0 4.01 1411 1226 A 21 LEU HDx% A 53 ASN HBy 1.0 0.0 4.01 1412 1226 A 53 ASN HBx A 21 LEU HDy% 1.0 0.0 4.01 1413 1226 A 21 LEU HDx% A 53 ASN HBx 1.0 0.0 4.01 1414 1227 A 55 SER HA A 21 LEU HDy% 1.0 0.0 4.73 1415 1227 A 55 SER HA A 21 LEU HDx% 1.0 0.0 4.73 1416 1228 A 21 LEU HDx% A 55 SER HBy 1.0 0.0 5.09 1417 1228 A 21 LEU HDy% A 55 SER HBy 1.0 0.0 5.09 1418 1228 A 55 SER HBx A 21 LEU HDy% 1.0 0.0 5.09 1419 1228 A 21 LEU HDx% A 55 SER HBx 1.0 0.0 5.09 1420 1229 A 58 LEU HDx% A 21 LEU HDy% 1.0 0.0 3.19 1421 1229 A 58 LEU HDx% A 21 LEU HDx% 1.0 0.0 3.19 1422 1230 A 22 GLN H A 25 LYS HDy 1.0 0.0 5.61 1423 1230 A 22 GLN H A 25 LYS HDx 1.0 0.0 5.61 1424 1231 A 23 GLN H A 23 GLN HBy 1.0 0.0 3.55 1425 1231 A 23 GLN H A 23 GLN HBx 1.0 0.0 3.55 1426 1232 A 23 GLN H A 23 GLN HGx 1.0 0.0 4.06 1427 1232 A 23 GLN H A 23 GLN HGy 1.0 0.0 4.06 1428 1233 A 23 GLN HA A 23 GLN HGx 1.0 0.0 3.78 1429 1233 A 23 GLN HA A 23 GLN HGy 1.0 0.0 3.78 1430 1234 A 23 GLN HA A 26 ASN HBy 1.0 0.0 3.97 1431 1234 A 23 GLN HA A 26 ASN HBx 1.0 0.0 3.97 1432 1235 A 24 TRP H A 23 GLN HBy 1.0 0.0 4.16 1433 1235 A 24 TRP H A 23 GLN HBx 1.0 0.0 4.16 1434 1236 A 26 ASN HD21 A 23 GLN HGx 1.0 0.0 4.83 1435 1236 A 26 ASN HD21 A 23 GLN HGy 1.0 0.0 4.83 1436 1237 A 26 ASN HD22 A 23 GLN HGx 1.0 0.0 4.69 1437 1237 A 26 ASN HD22 A 23 GLN HGy 1.0 0.0 4.69 1438 1238 A 24 TRP HA A 27 ASN HBy 1.0 0.0 4.80 1439 1238 A 24 TRP HA A 27 ASN HBx 1.0 0.0 4.80 1440 1239 A 25 LYS H A 24 TRP HBy 1.0 0.0 4.46 1441 1239 A 25 LYS H A 24 TRP HBx 1.0 0.0 4.46 1442 1240 A 24 TRP HD1 A 27 ASN HBy 1.0 0.0 4.14 1443 1240 A 24 TRP HD1 A 27 ASN HBx 1.0 0.0 4.14 1444 1241 A 24 TRP HD1 A 28 LEU HDy% 1.0 0.0 4.02 1445 1241 A 24 TRP HD1 A 28 LEU HDx% 1.0 0.0 4.02 1446 1242 A 24 TRP HE1 A 28 LEU HDy% 1.0 0.0 3.92 1447 1242 A 24 TRP HE1 A 28 LEU HDx% 1.0 0.0 3.92 1448 1243 A 24 TRP HZ3 A 55 SER HBy 1.0 0.0 4.77 1449 1243 A 24 TRP HZ3 A 55 SER HBx 1.0 0.0 4.77 1450 1244 A 24 TRP HZ3 A 58 LEU HBy 1.0 0.0 5.29 1451 1244 A 24 TRP HZ3 A 58 LEU HBx 1.0 0.0 5.29 1452 1245 A 24 TRP HZ2 A 28 LEU HDy% 1.0 0.0 4.98 1453 1245 A 24 TRP HZ2 A 28 LEU HDx% 1.0 0.0 4.98 1454 1246 A 24 TRP HZ2 A 58 LEU HBy 1.0 0.0 5.06 1455 1246 A 24 TRP HZ2 A 58 LEU HBx 1.0 0.0 5.06 1456 1247 A 24 TRP HZ2 A 62 GLU HBy 1.0 0.0 5.61 1457 1247 A 24 TRP HZ2 A 62 GLU HBx 1.0 0.0 5.61 1458 1248 A 24 TRP HH2 A 55 SER HBy 1.0 0.0 4.57 1459 1248 A 24 TRP HH2 A 55 SER HBx 1.0 0.0 4.57 1460 1249 A 24 TRP HH2 A 58 LEU HBy 1.0 0.0 4.56 1461 1249 A 24 TRP HH2 A 58 LEU HBx 1.0 0.0 4.56 1462 1250 A 25 LYS H A 25 LYS HGy 1.0 0.0 4.34 1463 1250 A 25 LYS H A 25 LYS HGx 1.0 0.0 4.34 1464 1251 A 25 LYS H A 25 LYS HDy 1.0 0.0 4.91 1465 1251 A 25 LYS H A 25 LYS HDx 1.0 0.0 4.91 1466 1252 A 25 LYS HA A 25 LYS HDy 1.0 0.0 5.48 1467 1252 A 25 LYS HA A 25 LYS HDx 1.0 0.0 5.48 1468 1253 A 25 LYS HA A 28 LEU HDy% 1.0 0.0 4.68 1469 1253 A 25 LYS HA A 28 LEU HDx% 1.0 0.0 4.68 1470 1254 A 25 LYS HB3 A 29 LYS HEx 1.0 0.0 5.55 1471 1254 A 25 LYS HB3 A 29 LYS HEy 1.0 0.0 5.55 1472 1255 A 49 ILE HG2% A 25 LYS HGy 1.0 0.0 4.18 1473 1255 A 49 ILE HG2% A 25 LYS HGx 1.0 0.0 4.18 1474 1256 A 26 ASN H A 25 LYS HDy 1.0 0.0 5.61 1475 1256 A 26 ASN H A 25 LYS HDx 1.0 0.0 5.61 1476 1257 A 49 ILE HG2% A 25 LYS HDy 1.0 0.0 4.28 1477 1257 A 49 ILE HG2% A 25 LYS HDx 1.0 0.0 4.28 1478 1258 A 50 ASP HA A 25 LYS HDy 1.0 0.0 4.82 1479 1258 A 50 ASP HA A 25 LYS HDx 1.0 0.0 4.82 1480 1259 A 49 ILE HG2% A 25 LYS HEx 1.0 0.0 4.47 1481 1259 A 49 ILE HG2% A 25 LYS HEy 1.0 0.0 4.47 1482 1260 A 50 ASP HA A 25 LYS HEx 1.0 0.0 5.37 1483 1260 A 50 ASP HA A 25 LYS HEy 1.0 0.0 5.37 1484 1261 A 58 LEU HDy% A 25 LYS HEx 1.0 0.0 4.81 1485 1261 A 58 LEU HDy% A 25 LYS HEy 1.0 0.0 4.81 1486 1262 A 26 ASN H A 26 ASN HBy 1.0 0.0 3.73 1487 1262 A 26 ASN H A 26 ASN HBx 1.0 0.0 3.73 1488 1263 A 26 ASN HA A 29 LYS HEx 1.0 0.0 4.20 1489 1263 A 26 ASN HA A 29 LYS HEy 1.0 0.0 4.20 1490 1264 A 27 ASN H A 28 LEU HDy% 1.0 0.0 5.71 1491 1264 A 27 ASN H A 28 LEU HDx% 1.0 0.0 5.71 1492 1265 A 28 LEU HA A 27 ASN HBy 1.0 0.0 5.02 1493 1265 A 28 LEU HA A 27 ASN HBx 1.0 0.0 5.02 1494 1266 A 27 ASN HBx A 28 LEU HDy% 1.0 0.0 4.75 1495 1266 A 27 ASN HBy A 28 LEU HDy% 1.0 0.0 4.75 1496 1266 A 28 LEU HDx% A 27 ASN HBy 1.0 0.0 4.75 1497 1266 A 27 ASN HBx A 28 LEU HDx% 1.0 0.0 4.75 1498 1267 A 28 LEU H A 28 LEU HDy% 1.0 0.0 4.47 1499 1267 A 28 LEU H A 28 LEU HDx% 1.0 0.0 4.47 1500 1268 A 28 LEU HA A 28 LEU HDy% 1.0 0.0 3.78 1501 1268 A 28 LEU HA A 28 LEU HDx% 1.0 0.0 3.78 1502 1269 A 29 LYS H A 28 LEU HDy% 1.0 0.0 4.97 1503 1269 A 29 LYS H A 28 LEU HDx% 1.0 0.0 4.97 1504 1270 A 31 ASP HB2 A 28 LEU HDy% 1.0 0.0 5.45 1505 1270 A 31 ASP HB2 A 28 LEU HDx% 1.0 0.0 5.45 1506 1271 A 31 ASP HB3 A 28 LEU HDy% 1.0 0.0 5.71 1507 1271 A 31 ASP HB3 A 28 LEU HDx% 1.0 0.0 5.71 1508 1272 A 49 ILE HG2% A 28 LEU HDy% 1.0 0.0 4.49 1509 1272 A 49 ILE HG2% A 28 LEU HDx% 1.0 0.0 4.49 1510 1273 A 49 ILE HD1% A 28 LEU HDy% 1.0 0.0 4.41 1511 1273 A 49 ILE HD1% A 28 LEU HDx% 1.0 0.0 4.41 1512 1274 A 28 LEU HDy% A 58 LEU HBy 1.0 0.0 4.78 1513 1274 A 28 LEU HDx% A 58 LEU HBy 1.0 0.0 4.78 1514 1274 A 58 LEU HBx A 28 LEU HDy% 1.0 0.0 4.78 1515 1274 A 28 LEU HDx% A 58 LEU HBx 1.0 0.0 4.78 1516 1275 A 58 LEU HDx% A 28 LEU HDy% 1.0 0.0 4.65 1517 1275 A 58 LEU HDx% A 28 LEU HDx% 1.0 0.0 4.65 1518 1276 A 58 LEU HDy% A 28 LEU HDy% 1.0 0.0 4.23 1519 1276 A 58 LEU HDy% A 28 LEU HDx% 1.0 0.0 4.23 1520 1277 A 62 GLU HA A 28 LEU HDy% 1.0 0.0 4.87 1521 1277 A 62 GLU HA A 28 LEU HDx% 1.0 0.0 4.87 1522 1278 A 28 LEU HDy% A 62 GLU HBy 1.0 0.0 3.97 1523 1278 A 62 GLU HBx A 28 LEU HDy% 1.0 0.0 3.97 1524 1278 A 28 LEU HDx% A 62 GLU HBx 1.0 0.0 3.97 1525 1278 A 28 LEU HDx% A 62 GLU HBy 1.0 0.0 3.97 1526 1279 A 28 LEU HDy% A 62 GLU HGx 1.0 0.0 4.37 1527 1279 A 28 LEU HDx% A 62 GLU HGx 1.0 0.0 4.37 1528 1279 A 62 GLU HGy A 28 LEU HDy% 1.0 0.0 4.37 1529 1279 A 62 GLU HGy A 28 LEU HDx% 1.0 0.0 4.37 1530 1280 A 65 PHE HD% A 28 LEU HDy% 1.0 0.0 5.29 1531 1280 A 65 PHE HD% A 28 LEU HDx% 1.0 0.0 5.29 1532 1281 A 65 PHE HE% A 28 LEU HDy% 1.0 0.0 4.18 1533 1281 A 65 PHE HE% A 28 LEU HDx% 1.0 0.0 4.18 1534 1282 A 65 PHE HZ A 28 LEU HDy% 1.0 0.0 5.31 1535 1282 A 65 PHE HZ A 28 LEU HDx% 1.0 0.0 5.31 1536 1283 A 66 ASN HD2y A 28 LEU HDy% 1.0 0.0 5.44 1537 1283 A 66 ASN HD2x A 28 LEU HDx% 1.0 0.0 5.44 1538 1283 A 66 ASN HD2x A 28 LEU HDy% 1.0 0.0 5.44 1539 1283 A 66 ASN HD2y A 28 LEU HDx% 1.0 0.0 5.44 1540 1284 A 29 LYS H A 29 LYS HGy 1.0 0.0 4.63 1541 1284 A 29 LYS H A 29 LYS HGx 1.0 0.0 4.63 1542 1285 A 29 LYS H A 29 LYS HDy 1.0 0.0 4.88 1543 1285 A 29 LYS H A 29 LYS HDx 1.0 0.0 4.88 1544 1286 A 29 LYS H A 29 LYS HEx 1.0 0.0 5.31 1545 1286 A 29 LYS H A 29 LYS HEy 1.0 0.0 5.31 1546 1287 A 29 LYS HBy A 29 LYS HEx 1.0 0.0 3.93 1547 1287 A 29 LYS HBx A 29 LYS HEx 1.0 0.0 3.93 1548 1287 A 29 LYS HEy A 29 LYS HBx 1.0 0.0 3.93 1549 1287 A 29 LYS HEy A 29 LYS HBy 1.0 0.0 3.93 1550 1288 A 30 ASN H A 29 LYS HBx 1.0 0.0 4.50 1551 1288 A 30 ASN H A 29 LYS HBy 1.0 0.0 4.50 1552 1289 A 46 LYS HA A 29 LYS HGy 1.0 0.0 5.29 1553 1289 A 46 LYS HA A 29 LYS HGx 1.0 0.0 5.29 1554 1290 A 29 LYS HGx A 46 LYS HEx 1.0 0.0 5.44 1555 1290 A 29 LYS HGy A 46 LYS HEx 1.0 0.0 5.44 1556 1290 A 46 LYS HEy A 29 LYS HGy 1.0 0.0 5.44 1557 1290 A 29 LYS HGx A 46 LYS HEy 1.0 0.0 5.44 1558 1291 A 49 ILE HG2% A 29 LYS HGy 1.0 0.0 5.61 1559 1291 A 49 ILE HG2% A 29 LYS HGx 1.0 0.0 5.61 1560 1292 A 46 LYS HA A 29 LYS HDy 1.0 0.0 5.09 1561 1292 A 46 LYS HA A 29 LYS HDx 1.0 0.0 5.09 1562 1293 A 50 ASP HA A 29 LYS HDy 1.0 0.0 5.61 1563 1293 A 50 ASP HA A 29 LYS HDx 1.0 0.0 5.61 1564 1294 A 49 ILE HG2% A 29 LYS HEx 1.0 0.0 5.06 1565 1294 A 49 ILE HG2% A 29 LYS HEy 1.0 0.0 5.06 1566 1295 A 30 ASN HA A 33 ASP HBy 1.0 0.0 3.91 1567 1295 A 30 ASN HA A 33 ASP HBx 1.0 0.0 3.91 1568 1296 A 32 VAL HGx% A 42 LYS HBx 1.0 0.0 4.24 1569 1296 A 32 VAL HGx% A 42 LYS HBy 1.0 0.0 4.24 1570 1297 A 32 VAL HGx% A 42 LYS HGy 1.0 0.0 3.87 1571 1297 A 32 VAL HGx% A 42 LYS HGx 1.0 0.0 3.87 1572 1298 A 32 VAL HGx% A 42 LYS HEx 1.0 0.0 4.67 1573 1298 A 32 VAL HGx% A 42 LYS HEy 1.0 0.0 4.67 1574 1299 A 32 VAL HGx% A 46 LYS HGx 1.0 0.0 3.87 1575 1299 A 32 VAL HGx% A 46 LYS HGy 1.0 0.0 3.87 1576 1300 A 32 VAL HGx% A 46 LYS HDy 1.0 0.0 4.33 1577 1300 A 32 VAL HGx% A 46 LYS HDx 1.0 0.0 4.33 1578 1301 A 32 VAL HGx% A 46 LYS HEx 1.0 0.0 4.60 1579 1301 A 32 VAL HGx% A 46 LYS HEy 1.0 0.0 4.60 1580 1302 A 32 VAL HGy% A 46 LYS HGx 1.0 0.0 4.58 1581 1302 A 32 VAL HGy% A 46 LYS HGy 1.0 0.0 4.58 1582 1303 A 32 VAL HGy% A 65 PHE HBy 1.0 0.0 4.55 1583 1303 A 32 VAL HGy% A 65 PHE HBx 1.0 0.0 4.55 1584 1304 A 33 ASP H A 33 ASP HBy 1.0 0.0 3.82 1585 1304 A 33 ASP H A 33 ASP HBx 1.0 0.0 3.82 1586 1305 A 33 ASP HA A 42 LYS HDy 1.0 0.0 4.98 1587 1305 A 33 ASP HA A 42 LYS HDx 1.0 0.0 4.98 1588 1306 A 33 ASP HA A 42 LYS HEx 1.0 0.0 4.20 1589 1306 A 33 ASP HA A 42 LYS HEy 1.0 0.0 4.20 1590 1307 A 34 ASN H A 33 ASP HBy 1.0 0.0 4.24 1591 1307 A 34 ASN H A 33 ASP HBx 1.0 0.0 4.24 1592 1308 A 35 THR H A 42 LYS HGy 1.0 0.0 5.61 1593 1308 A 35 THR H A 42 LYS HGx 1.0 0.0 5.61 1594 1309 A 35 THR H A 42 LYS HEx 1.0 0.0 4.48 1595 1309 A 35 THR H A 42 LYS HEy 1.0 0.0 4.48 1596 1310 A 35 THR HG2% A 42 LYS HEx 1.0 0.0 5.51 1597 1310 A 35 THR HG2% A 42 LYS HEy 1.0 0.0 5.51 1598 1311 A 36 ILE H A 36 ILE HG1x 1.0 0.0 4.23 1599 1311 A 36 ILE H A 36 ILE HG1y 1.0 0.0 4.23 1600 1312 A 36 ILE HG2% A 76 GLN HGy 1.0 0.0 5.61 1601 1312 A 36 ILE HG2% A 76 GLN HGx 1.0 0.0 5.61 1602 1313 A 72 LEU HB2 A 36 ILE HG1x 1.0 0.0 5.61 1603 1313 A 72 LEU HB2 A 36 ILE HG1y 1.0 0.0 5.61 1604 1314 A 73 HIS HD2 A 36 ILE HG1x 1.0 0.0 5.04 1605 1314 A 73 HIS HD2 A 36 ILE HG1y 1.0 0.0 5.04 1606 1315 A 73 HIS HE1 A 36 ILE HG1x 1.0 0.0 4.15 1607 1315 A 73 HIS HE1 A 36 ILE HG1y 1.0 0.0 4.15 1608 1316 A 76 GLN HE21 A 36 ILE HG1x 1.0 0.0 5.61 1609 1316 A 76 GLN HE21 A 36 ILE HG1y 1.0 0.0 5.61 1610 1317 A 36 ILE HD1% A 76 GLN HBy 1.0 0.0 4.56 1611 1317 A 36 ILE HD1% A 76 GLN HBx 1.0 0.0 4.56 1612 1318 A 36 ILE HD1% A 76 GLN HGy 1.0 0.0 4.47 1613 1318 A 36 ILE HD1% A 76 GLN HGx 1.0 0.0 4.47 1614 1319 A 37 LEU H A 42 LYS HEx 1.0 0.0 4.74 1615 1319 A 37 LEU H A 42 LYS HEy 1.0 0.0 4.74 1616 1320 A 37 LEU HB2 A 42 LYS HEx 1.0 0.0 5.01 1617 1320 A 37 LEU HB2 A 42 LYS HEy 1.0 0.0 5.01 1618 1321 A 37 LEU HB3 A 41 GLN HBy 1.0 0.0 4.69 1619 1321 A 37 LEU HB3 A 41 GLN HBx 1.0 0.0 4.69 1620 1322 A 37 LEU HG A 41 GLN HBy 1.0 0.0 5.61 1621 1322 A 37 LEU HG A 41 GLN HBx 1.0 0.0 5.61 1622 1323 A 37 LEU HDx% A 41 GLN HBy 1.0 0.0 3.76 1623 1323 A 37 LEU HDx% A 41 GLN HBx 1.0 0.0 3.76 1624 1324 A 37 LEU HDx% A 65 PHE HBy 1.0 0.0 4.26 1625 1324 A 37 LEU HDx% A 65 PHE HBx 1.0 0.0 4.26 1626 1325 A 37 LEU HDy% A 41 GLN HBy 1.0 0.0 4.44 1627 1325 A 37 LEU HDy% A 41 GLN HBx 1.0 0.0 4.44 1628 1326 A 37 LEU HDy% A 65 PHE HBy 1.0 0.0 4.74 1629 1326 A 37 LEU HDy% A 65 PHE HBx 1.0 0.0 4.74 1630 1327 A 38 SER H A 38 SER HBy 1.0 0.0 3.87 1631 1327 A 38 SER H A 38 SER HBx 1.0 0.0 3.87 1632 1328 A 40 GLU H A 38 SER HBy 1.0 0.0 4.47 1633 1328 A 40 GLU H A 38 SER HBx 1.0 0.0 4.47 1634 1329 A 41 GLN H A 38 SER HBy 1.0 0.0 5.17 1635 1329 A 41 GLN H A 38 SER HBx 1.0 0.0 5.17 1636 1330 A 39 HIS HA A 42 LYS HBx 1.0 0.0 4.35 1637 1330 A 39 HIS HA A 42 LYS HBy 1.0 0.0 4.35 1638 1331 A 39 HIS HA A 42 LYS HDy 1.0 0.0 4.76 1639 1331 A 39 HIS HA A 42 LYS HDx 1.0 0.0 4.76 1640 1332 A 40 GLU H A 39 HIS HBx 1.0 0.0 4.06 1641 1332 A 40 GLU H A 39 HIS HBy 1.0 0.0 4.06 1642 1333 A 39 HIS HD2 A 40 GLU HGx 1.0 0.0 4.56 1643 1333 A 39 HIS HD2 A 40 GLU HGy 1.0 0.0 4.56 1644 1334 A 39 HIS HD2 A 43 ASN HBy 1.0 0.0 5.30 1645 1334 A 39 HIS HD2 A 43 ASN HBx 1.0 0.0 5.30 1646 1335 A 40 GLU H A 40 GLU HBy 1.0 0.0 3.80 1647 1335 A 40 GLU H A 40 GLU HBx 1.0 0.0 3.80 1648 1336 A 41 GLN HA A 40 GLU HBy 1.0 0.0 4.38 1649 1336 A 41 GLN HA A 40 GLU HBx 1.0 0.0 4.38 1650 1337 A 41 GLN HA A 44 GLU HBy 1.0 0.0 4.18 1651 1337 A 41 GLN HA A 44 GLU HBx 1.0 0.0 4.18 1652 1338 A 41 GLN HE21 A 41 GLN HBy 1.0 0.0 4.63 1653 1338 A 41 GLN HE21 A 41 GLN HBx 1.0 0.0 4.63 1654 1339 A 42 LYS H A 41 GLN HBy 1.0 0.0 4.21 1655 1339 A 42 LYS H A 41 GLN HBx 1.0 0.0 4.21 1656 1340 A 44 GLU H A 41 GLN HBy 1.0 0.0 5.61 1657 1340 A 44 GLU H A 41 GLN HBx 1.0 0.0 5.61 1658 1341 A 68 THR HG2% A 41 GLN HBy 1.0 0.0 5.61 1659 1341 A 68 THR HG2% A 41 GLN HBx 1.0 0.0 5.61 1660 1342 A 42 LYS H A 42 LYS HDy 1.0 0.0 5.31 1661 1342 A 42 LYS H A 42 LYS HDx 1.0 0.0 5.31 1662 1343 A 43 ASN H A 42 LYS HBx 1.0 0.0 4.19 1663 1343 A 43 ASN H A 42 LYS HBy 1.0 0.0 4.19 1664 1344 A 42 LYS HBy A 46 LYS HEx 1.0 0.0 4.51 1665 1344 A 42 LYS HBx A 46 LYS HEx 1.0 0.0 4.51 1666 1344 A 46 LYS HEy A 42 LYS HBx 1.0 0.0 4.51 1667 1344 A 46 LYS HEy A 42 LYS HBy 1.0 0.0 4.51 1668 1345 A 42 LYS HGy A 46 LYS HEx 1.0 0.0 5.00 1669 1345 A 42 LYS HGx A 46 LYS HEx 1.0 0.0 5.00 1670 1345 A 46 LYS HEy A 42 LYS HGy 1.0 0.0 5.00 1671 1345 A 46 LYS HEy A 42 LYS HGx 1.0 0.0 5.00 1672 1346 A 43 ASN H A 43 ASN HBy 1.0 0.0 3.62 1673 1346 A 43 ASN H A 43 ASN HBx 1.0 0.0 3.62 1674 1347 A 43 ASN H A 44 GLU HBy 1.0 0.0 5.33 1675 1347 A 43 ASN H A 44 GLU HBx 1.0 0.0 5.33 1676 1348 A 43 ASN HA A 46 LYS HBx 1.0 0.0 4.22 1677 1348 A 43 ASN HA A 46 LYS HBy 1.0 0.0 4.22 1678 1349 A 43 ASN HA A 46 LYS HDy 1.0 0.0 4.82 1679 1349 A 43 ASN HA A 46 LYS HDx 1.0 0.0 4.82 1680 1350 A 44 GLU H A 43 ASN HBy 1.0 0.0 4.21 1681 1350 A 44 GLU H A 43 ASN HBx 1.0 0.0 4.21 1682 1351 A 44 GLU H A 44 GLU HBy 1.0 0.0 3.56 1683 1351 A 44 GLU H A 44 GLU HBx 1.0 0.0 3.56 1684 1352 A 44 GLU HA A 44 GLU HGx 1.0 0.0 3.75 1685 1352 A 44 GLU HA A 44 GLU HGy 1.0 0.0 3.75 1686 1353 A 44 GLU HA A 48 LYS HDy 1.0 0.0 5.55 1687 1353 A 44 GLU HA A 48 LYS HDx 1.0 0.0 5.55 1688 1354 A 45 PHE H A 44 GLU HBy 1.0 0.0 3.86 1689 1354 A 45 PHE H A 44 GLU HBx 1.0 0.0 3.86 1690 1355 A 45 PHE HB3 A 44 GLU HBy 1.0 0.0 5.61 1691 1355 A 45 PHE HB3 A 44 GLU HBx 1.0 0.0 5.61 1692 1356 A 44 GLU HBx A 48 LYS HEx 1.0 0.0 5.61 1693 1356 A 44 GLU HBy A 48 LYS HEx 1.0 0.0 5.61 1694 1356 A 48 LYS HEy A 44 GLU HBy 1.0 0.0 5.61 1695 1356 A 48 LYS HEy A 44 GLU HBx 1.0 0.0 5.61 1696 1357 A 45 PHE H A 44 GLU HGx 1.0 0.0 5.05 1697 1357 A 45 PHE H A 44 GLU HGy 1.0 0.0 5.05 1698 1358 A 45 PHE HA A 44 GLU HGx 1.0 0.0 5.61 1699 1358 A 45 PHE HA A 44 GLU HGy 1.0 0.0 5.61 1700 1359 A 47 THR HB A 44 GLU HGx 1.0 0.0 5.26 1701 1359 A 47 THR HB A 44 GLU HGy 1.0 0.0 5.26 1702 1360 A 44 GLU HGx A 48 LYS HGy 1.0 0.0 4.53 1703 1360 A 44 GLU HGy A 48 LYS HGy 1.0 0.0 4.53 1704 1360 A 48 LYS HGx A 44 GLU HGx 1.0 0.0 4.53 1705 1360 A 44 GLU HGy A 48 LYS HGx 1.0 0.0 4.53 1706 1361 A 44 GLU HGy A 48 LYS HDy 1.0 0.0 4.53 1707 1361 A 44 GLU HGx A 48 LYS HDy 1.0 0.0 4.53 1708 1361 A 48 LYS HDx A 44 GLU HGx 1.0 0.0 4.53 1709 1361 A 44 GLU HGy A 48 LYS HDx 1.0 0.0 4.53 1710 1362 A 44 GLU HGx A 48 LYS HEx 1.0 0.0 3.94 1711 1362 A 48 LYS HEy A 44 GLU HGx 1.0 0.0 3.94 1712 1362 A 48 LYS HEy A 44 GLU HGy 1.0 0.0 3.94 1713 1362 A 44 GLU HGy A 48 LYS HEx 1.0 0.0 3.94 1714 1363 A 45 PHE HA A 48 LYS HBx 1.0 0.0 4.34 1715 1363 A 45 PHE HA A 48 LYS HBy 1.0 0.0 4.34 1716 1364 A 45 PHE HA A 48 LYS HGy 1.0 0.0 5.57 1717 1364 A 45 PHE HA A 48 LYS HGx 1.0 0.0 5.57 1718 1365 A 45 PHE HD% A 48 LYS HBx 1.0 0.0 5.12 1719 1365 A 45 PHE HD% A 48 LYS HBy 1.0 0.0 5.12 1720 1366 A 45 PHE HD% A 65 PHE HBy 1.0 0.0 5.00 1721 1366 A 45 PHE HD% A 65 PHE HBx 1.0 0.0 5.00 1722 1367 A 45 PHE HE% A 65 PHE HBy 1.0 0.0 5.61 1723 1367 A 45 PHE HE% A 65 PHE HBx 1.0 0.0 5.61 1724 1368 A 45 PHE HZ A 64 GLN HBy 1.0 0.0 4.27 1725 1368 A 45 PHE HZ A 64 GLN HBx 1.0 0.0 4.27 1726 1369 A 45 PHE HZ A 64 GLN HGy 1.0 0.0 4.77 1727 1369 A 45 PHE HZ A 64 GLN HGx 1.0 0.0 4.77 1728 1370 A 45 PHE HZ A 65 PHE HBy 1.0 0.0 4.89 1729 1370 A 45 PHE HZ A 65 PHE HBx 1.0 0.0 4.89 1730 1371 A 46 LYS H A 46 LYS HGx 1.0 0.0 4.75 1731 1371 A 46 LYS H A 46 LYS HGy 1.0 0.0 4.75 1732 1372 A 46 LYS H A 46 LYS HDy 1.0 0.0 5.00 1733 1372 A 46 LYS H A 46 LYS HDx 1.0 0.0 5.00 1734 1373 A 46 LYS HA A 46 LYS HDy 1.0 0.0 5.02 1735 1373 A 46 LYS HA A 46 LYS HDx 1.0 0.0 5.02 1736 1374 A 46 LYS HA A 49 ILE HG1y 1.0 0.0 5.25 1737 1374 A 46 LYS HA A 49 ILE HG1x 1.0 0.0 5.25 1738 1375 A 46 LYS HBx A 46 LYS HEx 1.0 0.0 4.03 1739 1375 A 46 LYS HBy A 46 LYS HEx 1.0 0.0 4.03 1740 1375 A 46 LYS HEy A 46 LYS HBx 1.0 0.0 4.03 1741 1375 A 46 LYS HEy A 46 LYS HBy 1.0 0.0 4.03 1742 1376 A 47 THR H A 46 LYS HBx 1.0 0.0 4.42 1743 1376 A 47 THR H A 46 LYS HBy 1.0 0.0 4.42 1744 1377 A 47 THR H A 46 LYS HGx 1.0 0.0 5.61 1745 1377 A 47 THR H A 46 LYS HGy 1.0 0.0 5.61 1746 1378 A 47 THR H A 46 LYS HDy 1.0 0.0 5.61 1747 1378 A 47 THR H A 46 LYS HDx 1.0 0.0 5.61 1748 1379 A 47 THR H A 48 LYS HBx 1.0 0.0 5.61 1749 1379 A 47 THR H A 48 LYS HBy 1.0 0.0 5.61 1750 1380 A 47 THR H A 48 LYS HGy 1.0 0.0 5.61 1751 1380 A 47 THR H A 48 LYS HGx 1.0 0.0 5.61 1752 1381 A 47 THR HA A 50 ASP HBy 1.0 0.0 4.24 1753 1381 A 47 THR HA A 50 ASP HBx 1.0 0.0 4.24 1754 1382 A 47 THR HG2% A 48 LYS HGy 1.0 0.0 5.52 1755 1382 A 47 THR HG2% A 48 LYS HGx 1.0 0.0 5.52 1756 1383 A 47 THR HG2% A 51 GLU HGx 1.0 0.0 3.97 1757 1383 A 47 THR HG2% A 51 GLU HGy 1.0 0.0 3.97 1758 1384 A 48 LYS H A 48 LYS HBx 1.0 0.0 3.82 1759 1384 A 48 LYS H A 48 LYS HBy 1.0 0.0 3.82 1760 1385 A 48 LYS H A 48 LYS HGy 1.0 0.0 4.07 1761 1385 A 48 LYS H A 48 LYS HGx 1.0 0.0 4.07 1762 1386 A 48 LYS H A 48 LYS HDy 1.0 0.0 4.56 1763 1386 A 48 LYS H A 48 LYS HDx 1.0 0.0 4.56 1764 1387 A 48 LYS HA A 48 LYS HDy 1.0 0.0 4.49 1765 1387 A 48 LYS HA A 48 LYS HDx 1.0 0.0 4.49 1766 1388 A 48 LYS HA A 51 GLU HBy 1.0 0.0 4.39 1767 1388 A 48 LYS HA A 51 GLU HBx 1.0 0.0 4.39 1768 1389 A 48 LYS HBy A 48 LYS HEx 1.0 0.0 4.73 1769 1389 A 48 LYS HBx A 48 LYS HEx 1.0 0.0 4.73 1770 1389 A 48 LYS HEy A 48 LYS HBx 1.0 0.0 4.73 1771 1389 A 48 LYS HEy A 48 LYS HBy 1.0 0.0 4.73 1772 1390 A 61 LEU HB3 A 48 LYS HBx 1.0 0.0 5.61 1773 1390 A 61 LEU HB3 A 48 LYS HBy 1.0 0.0 5.61 1774 1391 A 61 LEU HDx% A 48 LYS HBx 1.0 0.0 3.97 1775 1391 A 61 LEU HDx% A 48 LYS HBy 1.0 0.0 3.97 1776 1392 A 61 LEU HDy% A 48 LYS HBx 1.0 0.0 3.81 1777 1392 A 61 LEU HDy% A 48 LYS HBy 1.0 0.0 3.81 1778 1393 A 61 LEU HDx% A 48 LYS HGy 1.0 0.0 4.48 1779 1393 A 61 LEU HDx% A 48 LYS HGx 1.0 0.0 4.48 1780 1394 A 61 LEU HDy% A 48 LYS HGy 1.0 0.0 5.23 1781 1394 A 61 LEU HDy% A 48 LYS HGx 1.0 0.0 5.23 1782 1395 A 61 LEU HDx% A 48 LYS HDy 1.0 0.0 4.82 1783 1395 A 61 LEU HDx% A 48 LYS HDx 1.0 0.0 4.82 1784 1396 A 61 LEU HDy% A 48 LYS HDy 1.0 0.0 3.85 1785 1396 A 61 LEU HDy% A 48 LYS HDx 1.0 0.0 3.85 1786 1397 A 49 ILE H A 49 ILE HG1y 1.0 0.0 4.43 1787 1397 A 49 ILE H A 49 ILE HG1x 1.0 0.0 4.43 1788 1398 A 58 LEU HDy% A 49 ILE HG1y 1.0 0.0 5.08 1789 1398 A 58 LEU HDy% A 49 ILE HG1x 1.0 0.0 5.08 1790 1399 A 61 LEU HB2 A 49 ILE HG1y 1.0 0.0 5.61 1791 1399 A 61 LEU HB2 A 49 ILE HG1x 1.0 0.0 5.61 1792 1400 A 61 LEU HDx% A 49 ILE HG1y 1.0 0.0 5.51 1793 1400 A 61 LEU HDx% A 49 ILE HG1x 1.0 0.0 5.51 1794 1401 A 50 ASP H A 50 ASP HBy 1.0 0.0 3.87 1795 1401 A 50 ASP H A 50 ASP HBx 1.0 0.0 3.87 1796 1402 A 51 GLU H A 51 GLU HBy 1.0 0.0 3.81 1797 1402 A 51 GLU H A 51 GLU HBx 1.0 0.0 3.81 1798 1403 A 51 GLU H A 51 GLU HGx 1.0 0.0 4.05 1799 1403 A 51 GLU H A 51 GLU HGy 1.0 0.0 4.05 1800 1404 A 51 GLU HA A 51 GLU HGx 1.0 0.0 3.92 1801 1404 A 51 GLU HGy A 51 GLU HA 1.0 0.0 3.92 1802 1405 A 52 THR H A 51 GLU HBy 1.0 0.0 4.47 1803 1405 A 52 THR H A 51 GLU HBx 1.0 0.0 4.47 1804 1406 A 52 THR H A 51 GLU HGx 1.0 0.0 5.61 1805 1406 A 52 THR H A 51 GLU HGy 1.0 0.0 5.61 1806 1407 A 52 THR HA A 53 ASN HBy 1.0 0.0 5.30 1807 1407 A 52 THR HA A 53 ASN HBx 1.0 0.0 5.30 1808 1408 A 52 THR HG2% A 54 ASP HBy 1.0 0.0 5.09 1809 1408 A 52 THR HG2% A 54 ASP HBx 1.0 0.0 5.09 1810 1409 A 54 ASP H A 53 ASN HBy 1.0 0.0 4.54 1811 1409 A 54 ASP H A 53 ASN HBx 1.0 0.0 4.54 1812 1410 A 57 ALA H A 54 ASP HBy 1.0 0.0 4.38 1813 1410 A 57 ALA H A 54 ASP HBx 1.0 0.0 4.38 1814 1411 A 57 ALA HB% A 54 ASP HBy 1.0 0.0 3.35 1815 1411 A 57 ALA HB% A 54 ASP HBx 1.0 0.0 3.35 1816 1412 A 55 SER HA A 58 LEU HBy 1.0 0.0 4.66 1817 1412 A 55 SER HA A 58 LEU HBx 1.0 0.0 4.66 1818 1413 A 56 ASP H A 55 SER HBy 1.0 0.0 4.40 1819 1413 A 56 ASP H A 55 SER HBx 1.0 0.0 4.40 1820 1414 A 55 SER HBy A 58 LEU HBy 1.0 0.0 5.43 1821 1414 A 55 SER HBx A 58 LEU HBy 1.0 0.0 5.43 1822 1414 A 58 LEU HBx A 55 SER HBy 1.0 0.0 5.43 1823 1414 A 55 SER HBx A 58 LEU HBx 1.0 0.0 5.43 1824 1415 A 58 LEU HDx% A 55 SER HBy 1.0 0.0 5.59 1825 1415 A 58 LEU HDx% A 55 SER HBx 1.0 0.0 5.59 1826 1416 A 56 ASP H A 56 ASP HBy 1.0 0.0 3.52 1827 1416 A 56 ASP H A 56 ASP HBx 1.0 0.0 3.52 1828 1417 A 57 ALA H A 56 ASP HBy 1.0 0.0 4.33 1829 1417 A 57 ALA H A 56 ASP HBx 1.0 0.0 4.33 1830 1418 A 57 ALA HA A 60 GLU HGx 1.0 0.0 5.01 1831 1418 A 57 ALA HA A 60 GLU HGy 1.0 0.0 5.01 1832 1419 A 58 LEU H A 58 LEU HBy 1.0 0.0 3.86 1833 1419 A 58 LEU H A 58 LEU HBx 1.0 0.0 3.86 1834 1420 A 59 LEU H A 58 LEU HBy 1.0 0.0 4.26 1835 1420 A 59 LEU H A 58 LEU HBx 1.0 0.0 4.26 1836 1421 A 59 LEU HA A 62 GLU HBy 1.0 0.0 4.26 1837 1421 A 59 LEU HA A 62 GLU HBx 1.0 0.0 4.26 1838 1422 A 60 GLU HA A 63 ASN HBy 1.0 0.0 3.83 1839 1422 A 60 GLU HA A 63 ASN HBx 1.0 0.0 3.83 1840 1423 A 61 LEU H A 60 GLU HGx 1.0 0.0 4.95 1841 1423 A 61 LEU H A 60 GLU HGy 1.0 0.0 4.95 1842 1424 A 61 LEU HDy% A 60 GLU HGx 1.0 0.0 5.61 1843 1424 A 61 LEU HDy% A 60 GLU HGy 1.0 0.0 5.61 1844 1425 A 60 GLU HGy A 64 GLN HGy 1.0 0.0 4.59 1845 1425 A 64 GLN HGx A 60 GLU HGx 1.0 0.0 4.59 1846 1425 A 64 GLN HGx A 60 GLU HGy 1.0 0.0 4.59 1847 1425 A 60 GLU HGx A 64 GLN HGy 1.0 0.0 4.59 1848 1426 A 64 GLN HE21 A 60 GLU HGx 1.0 0.0 3.75 1849 1426 A 64 GLN HE21 A 60 GLU HGy 1.0 0.0 3.75 1850 1427 A 64 GLN HE22 A 60 GLU HGx 1.0 0.0 4.78 1851 1427 A 64 GLN HE22 A 60 GLU HGy 1.0 0.0 4.78 1852 1428 A 61 LEU HA A 64 GLN HBy 1.0 0.0 4.15 1853 1428 A 61 LEU HA A 64 GLN HBx 1.0 0.0 4.15 1854 1429 A 61 LEU HA A 64 GLN HGy 1.0 0.0 4.68 1855 1429 A 61 LEU HA A 64 GLN HGx 1.0 0.0 4.68 1856 1430 A 61 LEU HB3 A 62 GLU HBy 1.0 0.0 5.61 1857 1430 A 61 LEU HB3 A 62 GLU HBx 1.0 0.0 5.61 1858 1431 A 61 LEU HDy% A 64 GLN HBy 1.0 0.0 4.74 1859 1431 A 61 LEU HDy% A 64 GLN HBx 1.0 0.0 4.74 1860 1432 A 62 GLU H A 62 GLU HBy 1.0 0.0 3.83 1861 1432 A 62 GLU H A 62 GLU HBx 1.0 0.0 3.83 1862 1433 A 62 GLU HA A 66 ASN HD2y 1.0 0.0 5.53 1863 1433 A 62 GLU HA A 66 ASN HD2x 1.0 0.0 5.53 1864 1434 A 63 ASN H A 62 GLU HBy 1.0 0.0 4.25 1865 1434 A 63 ASN H A 62 GLU HBx 1.0 0.0 4.25 1866 1435 A 66 ASN HD2y A 62 GLU HBx 1.0 0.0 5.10 1867 1435 A 66 ASN HD2x A 62 GLU HBy 1.0 0.0 5.10 1868 1435 A 66 ASN HD2x A 62 GLU HBx 1.0 0.0 5.10 1869 1435 A 66 ASN HD2y A 62 GLU HBy 1.0 0.0 5.10 1870 1436 A 66 ASN HD2y A 63 ASN HA 1.0 0.0 5.61 1871 1436 A 66 ASN HD2x A 63 ASN HA 1.0 0.0 5.61 1872 1437 A 64 GLN H A 63 ASN HBy 1.0 0.0 4.14 1873 1437 A 64 GLN H A 63 ASN HBx 1.0 0.0 4.14 1874 1438 A 64 GLN H A 64 GLN HGy 1.0 0.0 3.96 1875 1438 A 64 GLN H A 64 GLN HGx 1.0 0.0 3.96 1876 1439 A 64 GLN HA A 64 GLN HGy 1.0 0.0 3.87 1877 1439 A 64 GLN HA A 64 GLN HGx 1.0 0.0 3.87 1878 1440 A 64 GLN HA A 67 GLU HBy 1.0 0.0 4.17 1879 1440 A 64 GLN HA A 67 GLU HBx 1.0 0.0 4.17 1880 1441 A 65 PHE H A 64 GLN HBy 1.0 0.0 4.53 1881 1441 A 65 PHE H A 64 GLN HBx 1.0 0.0 4.53 1882 1442 A 66 ASN H A 66 ASN HD2y 1.0 0.0 5.03 1883 1442 A 66 ASN H A 66 ASN HD2x 1.0 0.0 5.03 1884 1443 A 66 ASN HD2y A 67 GLU H 1.0 0.0 5.51 1885 1443 A 66 ASN HD2x A 67 GLU H 1.0 0.0 5.51 1886 1444 A 67 GLU HA A 70 ARG HBy 1.0 0.0 4.29 1887 1444 A 67 GLU HA A 70 ARG HBx 1.0 0.0 4.29 1888 1445 A 67 GLU HA A 70 ARG HGy 1.0 0.0 5.61 1889 1445 A 67 GLU HA A 70 ARG HGx 1.0 0.0 5.61 1890 1446 A 71 LEU HDx% A 67 GLU HBy 1.0 0.0 5.61 1891 1446 A 71 LEU HDx% A 67 GLU HBx 1.0 0.0 5.61 1892 1447 A 71 LEU H A 67 GLU HGx 1.0 0.0 5.39 1893 1447 A 71 LEU H A 67 GLU HGy 1.0 0.0 5.39 1894 1448 A 71 LEU HG A 67 GLU HGx 1.0 0.0 4.74 1895 1448 A 71 LEU HG A 67 GLU HGy 1.0 0.0 4.74 1896 1449 A 71 LEU HDx% A 67 GLU HGx 1.0 0.0 3.72 1897 1449 A 71 LEU HDx% A 67 GLU HGy 1.0 0.0 3.72 1898 1450 A 71 LEU HDy% A 67 GLU HGx 1.0 0.0 4.49 1899 1450 A 71 LEU HDy% A 67 GLU HGy 1.0 0.0 4.49 1900 1451 A 68 THR HA A 71 LEU HBy 1.0 0.0 4.40 1901 1451 A 68 THR HA A 71 LEU HBx 1.0 0.0 4.40 1902 1452 A 68 THR HG2% A 71 LEU HBy 1.0 0.0 5.61 1903 1452 A 68 THR HG2% A 71 LEU HBx 1.0 0.0 5.61 1904 1453 A 70 ARG H A 70 ARG HBy 1.0 0.0 3.84 1905 1453 A 70 ARG H A 70 ARG HBx 1.0 0.0 3.84 1906 1454 A 70 ARG H A 70 ARG HGy 1.0 0.0 4.85 1907 1454 A 70 ARG H A 70 ARG HGx 1.0 0.0 4.85 1908 1455 A 70 ARG HA A 73 HIS HBx 1.0 0.0 4.25 1909 1455 A 70 ARG HA A 73 HIS HBy 1.0 0.0 4.25 1910 1456 A 71 LEU H A 70 ARG HBy 1.0 0.0 4.05 1911 1456 A 71 LEU H A 70 ARG HBx 1.0 0.0 4.05 1912 1457 A 71 LEU HG A 70 ARG HBy 1.0 0.0 5.40 1913 1457 A 71 LEU HG A 70 ARG HBx 1.0 0.0 5.40 1914 1458 A 71 LEU HDx% A 70 ARG HBy 1.0 0.0 5.61 1915 1458 A 71 LEU HDx% A 70 ARG HBx 1.0 0.0 5.61 1916 1459 A 71 LEU HDy% A 70 ARG HBy 1.0 0.0 4.75 1917 1459 A 71 LEU HDy% A 70 ARG HBx 1.0 0.0 4.75 1918 1460 A 74 ILE HD1% A 70 ARG HBy 1.0 0.0 5.49 1919 1460 A 74 ILE HD1% A 70 ARG HBx 1.0 0.0 5.49 1920 1461 A 74 ILE HD1% A 70 ARG HGy 1.0 0.0 3.94 1921 1461 A 74 ILE HD1% A 70 ARG HGx 1.0 0.0 3.94 1922 1462 A 73 HIS HA A 76 GLN HBy 1.0 0.0 3.81 1923 1462 A 73 HIS HA A 76 GLN HBx 1.0 0.0 3.81 1924 1463 A 73 HIS HA A 76 GLN HGy 1.0 0.0 4.61 1925 1463 A 73 HIS HA A 76 GLN HGx 1.0 0.0 4.61 1926 1464 A 74 ILE HD1% A 73 HIS HBx 1.0 0.0 5.61 1927 1464 A 74 ILE HD1% A 73 HIS HBy 1.0 0.0 5.61 1928 1465 A 74 ILE H A 74 ILE HG1x 1.0 0.0 3.98 1929 1465 A 74 ILE H A 74 ILE HG1y 1.0 0.0 3.98 1930 1466 A 74 ILE HG2% A 74 ILE HG1x 1.0 0.0 3.40 1931 1466 A 74 ILE HG2% A 74 ILE HG1y 1.0 0.0 3.40 1932 1467 A 74 ILE HG2% A 78 GLU HGx 1.0 0.0 4.13 1933 1467 A 74 ILE HG2% A 78 GLU HGy 1.0 0.0 4.13 1934 1468 A 75 LYS HA A 78 GLU HGx 1.0 0.0 5.32 1935 1468 A 75 LYS HA A 78 GLU HGy 1.0 0.0 5.32 1936 1469 A 75 LYS HGx A 79 GLU HGx 1.0 0.0 4.91 1937 1469 A 75 LYS HGy A 79 GLU HGx 1.0 0.0 4.91 1938 1469 A 79 GLU HGy A 75 LYS HGy 1.0 0.0 4.91 1939 1469 A 75 LYS HGx A 79 GLU HGy 1.0 0.0 4.91 1940 1470 A 76 GLN H A 76 GLN HBy 1.0 0.0 3.60 1941 1470 A 76 GLN H A 76 GLN HBx 1.0 0.0 3.60 1942 1471 A 76 GLN HA A 76 GLN HGy 1.0 0.0 3.82 1943 1471 A 76 GLN HA A 76 GLN HGx 1.0 0.0 3.82 1944 1472 A 77 HIS H A 76 GLN HBy 1.0 0.0 4.56 1945 1472 A 77 HIS H A 76 GLN HBx 1.0 0.0 4.56 1946 1473 A 77 HIS HA A 76 GLN HBy 1.0 0.0 5.00 1947 1473 A 77 HIS HA A 76 GLN HBx 1.0 0.0 5.00 1948 1474 A 80 VAL HGx% A 76 GLN HGy 1.0 0.0 5.25 1949 1474 A 80 VAL HGx% A 76 GLN HGx 1.0 0.0 5.25 1950 1475 A 80 VAL HGy% A 76 GLN HGy 1.0 0.0 4.18 1951 1475 A 80 VAL HGy% A 76 GLN HGx 1.0 0.0 4.18 1952 1476 A 77 HIS HBx A 78 GLU HGx 1.0 0.0 5.44 1953 1476 A 77 HIS HBy A 78 GLU HGx 1.0 0.0 5.44 1954 1476 A 78 GLU HGy A 77 HIS HBx 1.0 0.0 5.44 1955 1476 A 78 GLU HGy A 77 HIS HBy 1.0 0.0 5.44 1956 1477 A 77 HIS HD2 A 78 GLU HBy 1.0 0.0 5.21 1957 1477 A 77 HIS HD2 A 78 GLU HBx 1.0 0.0 5.21 1958 1478 A 77 HIS HD2 A 78 GLU HGx 1.0 0.0 5.03 1959 1478 A 77 HIS HD2 A 78 GLU HGy 1.0 0.0 5.03 1960 1479 A 77 HIS HE1 A 81 GLU HGx 1.0 0.0 4.66 1961 1479 A 77 HIS HE1 A 81 GLU HGy 1.0 0.0 4.66 1962 1480 A 78 GLU H A 78 GLU HGx 1.0 0.0 4.11 1963 1480 A 78 GLU H A 78 GLU HGy 1.0 0.0 4.11 1964 1481 A 78 GLU HA A 78 GLU HGx 1.0 0.0 3.87 1965 1481 A 78 GLU HA A 78 GLU HGy 1.0 0.0 3.87 1966 1482 A 79 GLU H A 79 GLU HGx 1.0 0.0 4.00 1967 1482 A 79 GLU H A 79 GLU HGy 1.0 0.0 4.00 1968 1483 A 79 GLU HA A 79 GLU HGx 1.0 0.0 3.64 1969 1483 A 79 GLU HA A 79 GLU HGy 1.0 0.0 3.64 1970 1484 A 80 VAL H A 79 GLU HGx 1.0 0.0 4.94 1971 1484 A 80 VAL H A 79 GLU HGy 1.0 0.0 4.94 1972 1485 A 80 VAL HGx% A 81 GLU HGx 1.0 0.0 5.61 1973 1485 A 80 VAL HGx% A 81 GLU HGy 1.0 0.0 5.61 1974 1486 A 81 GLU H A 81 GLU HBy 1.0 0.0 3.59 1975 1486 A 81 GLU H A 81 GLU HBx 1.0 0.0 3.59 1976 1487 A 81 GLU HA A 81 GLU HGx 1.0 0.0 3.74 1977 1487 A 81 GLU HA A 81 GLU HGy 1.0 0.0 3.74 1978 1488 A 82 LYS H A 81 GLU HGx 1.0 0.0 5.61 1979 1488 A 82 LYS H A 81 GLU HGy 1.0 0.0 5.61 1980 1489 A 82 LYS H A 82 LYS HGy 1.0 0.0 4.49 1981 1489 A 82 LYS H A 82 LYS HGx 1.0 0.0 4.49 1982 1490 A 82 LYS HA A 82 LYS HGy 1.0 0.0 3.93 1983 1490 A 82 LYS HGx A 82 LYS HA 1.0 0.0 3.93 1984 1491 A 83 ASP H A 82 LYS HGy 1.0 0.0 4.95 1985 1491 A 83 ASP H A 82 LYS HGx 1.0 0.0 4.95 1986 1492 A 84 LYS H A 84 LYS HGy 1.0 0.0 4.85 1987 1492 A 84 LYS H A 84 LYS HGx 1.0 0.0 4.85 1988 1493 A 84 LYS HA A 84 LYS HGy 1.0 0.0 3.83 1989 1493 A 84 LYS HA A 84 LYS HGx 1.0 0.0 3.83 1990 1494 A 85 LYS H A 85 LYS HGy 1.0 0.0 4.12 1991 1494 A 85 LYS H A 85 LYS HGx 1.0 0.0 4.12 1992 1495 A 86 ALA H A 87 LYS HBx 1.0 0.0 5.47 1993 1495 A 86 ALA H A 87 LYS HBy 1.0 0.0 5.47 1994 1496 A 86 ALA HA A 89 GLN HBy 1.0 0.0 4.43 1995 1496 A 86 ALA HA A 89 GLN HBx 1.0 0.0 4.43 1996 1497 A 87 LYS H A 87 LYS HBx 1.0 0.0 3.68 1997 1497 A 87 LYS H A 87 LYS HBy 1.0 0.0 3.68 1998 1498 A 87 LYS H A 87 LYS HGy 1.0 0.0 4.84 1999 1498 A 87 LYS H A 87 LYS HGx 1.0 0.0 4.84 2000 1499 A 87 LYS HA A 87 LYS HGy 1.0 0.0 3.77 2001 1499 A 87 LYS HA A 87 LYS HGx 1.0 0.0 3.77 2002 1500 A 88 GLN H A 88 GLN HGx 1.0 0.0 4.78 2003 1500 A 88 GLN H A 88 GLN HGy 1.0 0.0 4.78 2004 1501 A 89 GLN H A 88 GLN HGx 1.0 0.0 5.61 2005 1501 A 89 GLN H A 88 GLN HGy 1.0 0.0 5.61 2006 1502 A 90 LYS H A 90 LYS HGx 1.0 0.0 5.61 2007 1502 A 90 LYS H A 90 LYS HGy 1.0 0.0 5.61 2008 1503 A 92 LEU H A 92 LEU HBy 1.0 0.0 3.83 2009 1503 A 92 LEU H A 92 LEU HBx 1.0 0.0 3.83 2010 1504 A 92 LEU HA A 92 LEU HDx% 1.0 0.0 3.91 2011 1504 A 92 LEU HA A 92 LEU HDy% 1.0 0.0 3.91 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 15 GLY C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -77.8 -56.6 PHI 2 2 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 ARG N 1.0 -51.9 -27.1 PSI 3 3 A 16 LYS C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -77.4 -55.6 PHI 4 4 A 17 ARG N A 17 ARG CA A 17 ARG C A 18 GLU N 1.0 -53.7 -27.3 PSI 5 5 A 17 ARG C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -75.7 -55.7 PHI 6 6 A 18 GLU N A 18 GLU CA A 18 GLU C A 19 LYS N 1.0 -49.4 -29.4 PSI 7 7 A 18 GLU C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -78.0 -58.0 PHI 8 8 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 GLN N 1.0 -51.0 -28.6 PSI 9 9 A 19 LYS C A 20 GLN N A 20 GLN CA A 20 GLN C 1.0 -76.4 -56.4 PHI 10 10 A 20 GLN N A 20 GLN CA A 20 GLN C A 21 LEU N 1.0 -49.5 -26.1 PSI 11 11 A 20 GLN C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -73.7 -53.7 PHI 12 12 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 GLN N 1.0 -52.5 -32.5 PSI 13 13 A 21 LEU C A 22 GLN N A 22 GLN CA A 22 GLN C 1.0 -73.9 -53.9 PHI 14 14 A 22 GLN N A 22 GLN CA A 22 GLN C A 23 GLN N 1.0 -50.6 -30.6 PSI 15 15 A 22 GLN C A 23 GLN N A 23 GLN CA A 23 GLN C 1.0 -76.3 -56.3 PHI 16 16 A 23 GLN N A 23 GLN CA A 23 GLN C A 24 TRP N 1.0 -51.9 -31.9 PSI 17 17 A 23 GLN C A 24 TRP N A 24 TRP CA A 24 TRP C 1.0 -73.6 -53.6 PHI 18 18 A 24 TRP N A 24 TRP CA A 24 TRP C A 25 LYS N 1.0 -53.2 -32.8 PSI 19 19 A 24 TRP C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -70.7 -50.7 PHI 20 20 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 ASN N 1.0 -51.6 -31.6 PSI 21 21 A 25 LYS C A 26 ASN N A 26 ASN CA A 26 ASN C 1.0 -75.3 -55.3 PHI 22 22 A 26 ASN N A 26 ASN CA A 26 ASN C A 27 ASN N 1.0 -50.5 -30.5 PSI 23 23 A 26 ASN C A 27 ASN N A 27 ASN CA A 27 ASN C 1.0 -77.5 -57.5 PHI 24 24 A 27 ASN N A 27 ASN CA A 27 ASN C A 28 LEU N 1.0 -49.2 -28.0 PSI 25 25 A 27 ASN C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -75.4 -55.4 PHI 26 26 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 LYS N 1.0 -53.0 -32.0 PSI 27 27 A 28 LEU C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -72.6 -52.6 PHI 28 28 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 ASN N 1.0 -49.6 -29.6 PSI 29 29 A 29 LYS C A 30 ASN N A 30 ASN CA A 30 ASN C 1.0 -75.5 -55.5 PHI 30 30 A 30 ASN N A 30 ASN CA A 30 ASN C A 31 ASP N 1.0 -50.4 -30.4 PSI 31 31 A 30 ASN C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -75.1 -55.1 PHI 32 32 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 VAL N 1.0 -50.3 -30.3 PSI 33 33 A 31 ASP C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -74.7 -54.7 PHI 34 34 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 ASP N 1.0 -53.2 -33.2 PSI 35 35 A 32 VAL C A 33 ASP N A 33 ASP CA A 33 ASP C 1.0 -77.6 -54.6 PHI 36 36 A 33 ASP N A 33 ASP CA A 33 ASP C A 34 ASN N 1.0 -44.8 -14.6 PSI 37 37 A 33 ASP C A 34 ASN N A 34 ASN CA A 34 ASN C 1.0 -115.0 -67.8 PHI 38 38 A 34 ASN N A 34 ASN CA A 34 ASN C A 35 THR N 1.0 -29.6 24.8 PSI 39 39 A 34 ASN C A 35 THR N A 35 THR CA A 35 THR C 1.0 -193.2 -39.8 PHI 40 40 A 35 THR N A 35 THR CA A 35 THR C A 36 ILE N 1.0 146.7 204.9 PSI 41 41 A 35 THR C A 36 ILE N A 36 ILE CA A 36 ILE C 1.0 -119.4 -83.4 PHI 42 42 A 36 ILE N A 36 ILE CA A 36 ILE C A 37 LEU N 1.0 -29.2 24.4 PSI 43 43 A 36 ILE C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -85.8 -51.2 PHI 44 44 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 SER N 1.0 121.1 161.7 PSI 45 45 A 37 LEU C A 38 SER N A 38 SER CA A 38 SER C 1.0 -86.3 -59.1 PHI 46 46 A 38 SER N A 38 SER CA A 38 SER C A 39 HIS N 1.0 145.9 175.9 PSI 47 47 A 38 SER C A 39 HIS N A 39 HIS CA A 39 HIS C 1.0 -68.1 -48.1 PHI 48 48 A 39 HIS N A 39 HIS CA A 39 HIS C A 40 GLU N 1.0 -51.5 -30.7 PSI 49 49 A 39 HIS C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -75.2 -52.4 PHI 50 50 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 GLN N 1.0 -52.3 -32.1 PSI 51 51 A 40 GLU C A 41 GLN N A 41 GLN CA A 41 GLN C 1.0 -76.4 -56.4 PHI 52 52 A 41 GLN N A 41 GLN CA A 41 GLN C A 42 LYS N 1.0 -51.7 -31.7 PSI 53 53 A 41 GLN C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -71.0 -51.0 PHI 54 54 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 ASN N 1.0 -52.4 -32.4 PSI 55 55 A 42 LYS C A 43 ASN N A 43 ASN CA A 43 ASN C 1.0 -73.9 -53.9 PHI 56 56 A 43 ASN N A 43 ASN CA A 43 ASN C A 44 GLU N 1.0 -53.4 -29.6 PSI 57 57 A 43 ASN C A 44 GLU N A 44 GLU CA A 44 GLU C 1.0 -74.2 -54.2 PHI 58 58 A 44 GLU N A 44 GLU CA A 44 GLU C A 45 PHE N 1.0 -53.9 -33.9 PSI 59 59 A 44 GLU C A 45 PHE N A 45 PHE CA A 45 PHE C 1.0 -73.3 -53.3 PHI 60 60 A 45 PHE N A 45 PHE CA A 45 PHE C A 46 LYS N 1.0 -54.1 -34.1 PSI 61 61 A 45 PHE C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -72.2 -52.2 PHI 62 62 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 THR N 1.0 -51.1 -31.1 PSI 63 63 A 46 LYS C A 47 THR N A 47 THR CA A 47 THR C 1.0 -73.9 -53.9 PHI 64 64 A 47 THR N A 47 THR CA A 47 THR C A 48 LYS N 1.0 -52.5 -32.5 PSI 65 65 A 47 THR C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -76.0 -56.0 PHI 66 66 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 ILE N 1.0 -49.6 -29.2 PSI 67 67 A 48 LYS C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -74.1 -54.1 PHI 68 68 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 ASP N 1.0 -52.5 -32.5 PSI 69 69 A 49 ILE C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -76.4 -56.4 PHI 70 70 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 GLU N 1.0 -39.3 -17.3 PSI 71 71 A 50 ASP C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -99.6 -75.8 PHI 72 72 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 THR N 1.0 -26.2 8.0 PSI 73 73 A 51 GLU C A 52 THR N A 52 THR CA A 52 THR C 1.0 -133.6 -16.2 PHI 74 74 A 52 THR N A 52 THR CA A 52 THR C A 53 ASN N 1.0 118.8 164.2 PSI 75 75 A 53 ASN C A 54 ASP N A 54 ASP CA A 54 ASP C 1.0 -164.9 -51.3 PHI 76 76 A 54 ASP N A 54 ASP CA A 54 ASP C A 55 SER N 1.0 102.8 171.6 PSI 77 77 A 54 ASP C A 55 SER N A 55 SER CA A 55 SER C 1.0 -72.7 -48.1 PHI 78 78 A 55 SER N A 55 SER CA A 55 SER C A 56 ASP N 1.0 -53.8 -22.8 PSI 79 79 A 55 SER C A 56 ASP N A 56 ASP CA A 56 ASP C 1.0 -73.8 -53.8 PHI 80 80 A 56 ASP N A 56 ASP CA A 56 ASP C A 57 ALA N 1.0 -47.7 -27.7 PSI 81 81 A 56 ASP C A 57 ALA N A 57 ALA CA A 57 ALA C 1.0 -76.8 -56.8 PHI 82 82 A 57 ALA N A 57 ALA CA A 57 ALA C A 58 LEU N 1.0 -49.2 -27.8 PSI 83 83 A 57 ALA C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -74.9 -54.9 PHI 84 84 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 LEU N 1.0 -53.1 -33.1 PSI 85 85 A 58 LEU C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -76.1 -56.1 PHI 86 86 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 GLU N 1.0 -48.8 -28.8 PSI 87 87 A 59 LEU C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -75.6 -55.6 PHI 88 88 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 LEU N 1.0 -51.0 -31.0 PSI 89 89 A 60 GLU C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -74.0 -54.0 PHI 90 90 A 61 LEU N A 61 LEU CA A 61 LEU C A 62 GLU N 1.0 -53.3 -33.3 PSI 91 91 A 61 LEU C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -72.8 -52.8 PHI 92 92 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 ASN N 1.0 -50.5 -30.5 PSI 93 93 A 62 GLU C A 63 ASN N A 63 ASN CA A 63 ASN C 1.0 -74.9 -54.9 PHI 94 94 A 63 ASN N A 63 ASN CA A 63 ASN C A 64 GLN N 1.0 -53.6 -32.0 PSI 95 95 A 63 ASN C A 64 GLN N A 64 GLN CA A 64 GLN C 1.0 -76.8 -56.6 PHI 96 96 A 64 GLN N A 64 GLN CA A 64 GLN C A 65 PHE N 1.0 -50.2 -29.6 PSI 97 97 A 64 GLN C A 65 PHE N A 65 PHE CA A 65 PHE C 1.0 -78.0 -58.0 PHI 98 98 A 65 PHE N A 65 PHE CA A 65 PHE C A 66 ASN N 1.0 -44.6 -24.6 PSI 99 99 A 65 PHE C A 66 ASN N A 66 ASN CA A 66 ASN C 1.0 -76.1 -56.1 PHI 100 100 A 66 ASN N A 66 ASN CA A 66 ASN C A 67 GLU N 1.0 -50.1 -30.1 PSI 101 101 A 66 ASN C A 67 GLU N A 67 GLU CA A 67 GLU C 1.0 -77.9 -57.9 PHI 102 102 A 67 GLU N A 67 GLU CA A 67 GLU C A 68 THR N 1.0 -49.6 -29.6 PSI 103 103 A 67 GLU C A 68 THR N A 68 THR CA A 68 THR C 1.0 -74.3 -54.3 PHI 104 104 A 68 THR N A 68 THR CA A 68 THR C A 69 ASN N 1.0 -52.2 -32.2 PSI 105 105 A 68 THR C A 69 ASN N A 69 ASN CA A 69 ASN C 1.0 -73.4 -53.4 PHI 106 106 A 69 ASN N A 69 ASN CA A 69 ASN C A 70 ARG N 1.0 -52.5 -32.5 PSI 107 107 A 69 ASN C A 70 ARG N A 70 ARG CA A 70 ARG C 1.0 -74.2 -54.2 PHI 108 108 A 70 ARG N A 70 ARG CA A 70 ARG C A 71 LEU N 1.0 -52.0 -32.0 PSI 109 109 A 70 ARG C A 71 LEU N A 71 LEU CA A 71 LEU C 1.0 -76.8 -56.8 PHI 110 110 A 71 LEU N A 71 LEU CA A 71 LEU C A 72 LEU N 1.0 -50.9 -27.1 PSI 111 111 A 71 LEU C A 72 LEU N A 72 LEU CA A 72 LEU C 1.0 -74.9 -54.9 PHI 112 112 A 72 LEU N A 72 LEU CA A 72 LEU C A 73 HIS N 1.0 -49.9 -29.5 PSI 113 113 A 72 LEU C A 73 HIS N A 73 HIS CA A 73 HIS C 1.0 -75.3 -55.3 PHI 114 114 A 73 HIS N A 73 HIS CA A 73 HIS C A 74 ILE N 1.0 -51.8 -31.8 PSI 115 115 A 73 HIS C A 74 ILE N A 74 ILE CA A 74 ILE C 1.0 -75.4 -55.4 PHI 116 116 A 74 ILE N A 74 ILE CA A 74 ILE C A 75 LYS N 1.0 -52.9 -32.9 PSI 117 117 A 74 ILE C A 75 LYS N A 75 LYS CA A 75 LYS C 1.0 -77.9 -57.9 PHI 118 118 A 75 LYS N A 75 LYS CA A 75 LYS C A 76 GLN N 1.0 -47.4 -25.0 PSI 119 119 A 75 LYS C A 76 GLN N A 76 GLN CA A 76 GLN C 1.0 -77.9 -57.9 PHI 120 120 A 76 GLN N A 76 GLN CA A 76 GLN C A 77 HIS N 1.0 -49.4 -24.6 PSI 121 121 A 76 GLN C A 77 HIS N A 77 HIS CA A 77 HIS C 1.0 -78.1 -58.1 PHI 122 122 A 77 HIS N A 77 HIS CA A 77 HIS C A 78 GLU N 1.0 -46.7 -26.7 PSI 123 123 A 77 HIS C A 78 GLU N A 78 GLU CA A 78 GLU C 1.0 -77.4 -57.4 PHI 124 124 A 78 GLU N A 78 GLU CA A 78 GLU C A 79 GLU N 1.0 -48.5 -28.5 PSI 125 125 A 78 GLU C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -77.3 -57.3 PHI 126 126 A 79 GLU N A 79 GLU CA A 79 GLU C A 80 VAL N 1.0 -48.5 -26.7 PSI 127 127 A 79 GLU C A 80 VAL N A 80 VAL CA A 80 VAL C 1.0 -79.2 -55.8 PHI 128 128 A 80 VAL N A 80 VAL CA A 80 VAL C A 81 GLU N 1.0 -48.8 -27.6 PSI 129 129 A 80 VAL C A 81 GLU N A 81 GLU CA A 81 GLU C 1.0 -77.6 -57.6 PHI 130 130 A 81 GLU N A 81 GLU CA A 81 GLU C A 82 LYS N 1.0 -49.4 -29.4 PSI 131 131 A 81 GLU C A 82 LYS N A 82 LYS CA A 82 LYS C 1.0 -78.3 -58.3 PHI 132 132 A 82 LYS N A 82 LYS CA A 82 LYS C A 83 ASP N 1.0 -50.8 -24.6 PSI 133 133 A 82 LYS C A 83 ASP N A 83 ASP CA A 83 ASP C 1.0 -77.4 -57.4 PHI 134 134 A 83 ASP N A 83 ASP CA A 83 ASP C A 84 LYS N 1.0 -48.1 -26.3 PSI 135 135 A 83 ASP C A 84 LYS N A 84 LYS CA A 84 LYS C 1.0 -76.7 -56.7 PHI 136 136 A 84 LYS N A 84 LYS CA A 84 LYS C A 85 LYS N 1.0 -47.7 -26.7 PSI 137 137 A 20 GLN N A 20 GLN CA A 20 GLN CB A 20 GLN CG 1.0 -90.0 -30.0 CHI1 138 138 A 22 GLN N A 22 GLN CA A 22 GLN CB A 22 GLN CG 1.0 -90.0 -30.0 CHI1 139 139 A 23 GLN N A 23 GLN CA A 23 GLN CB A 23 GLN CG 1.0 -90.0 -30.0 CHI1 140 140 A 26 ASN N A 26 ASN CA A 26 ASN CB A 26 ASN CG 1.0 -90.0 -30.0 CHI1 141 141 A 27 ASN N A 27 ASN CA A 27 ASN CB A 27 ASN CG 1.0 -90.0 -30.0 CHI1 142 142 A 30 ASN N A 30 ASN CA A 30 ASN CB A 30 ASN CG 1.0 -90.0 -30.0 CHI1 143 143 A 31 ASP N A 31 ASP CA A 31 ASP CB A 31 ASP CG 1.0 -90.0 -30.0 CHI1 144 144 A 32 VAL N A 32 VAL CA A 32 VAL CB A 32 VAL CG1 1.0 150.0 210.0 CHI1 145 145 A 34 ASN N A 34 ASN CA A 34 ASN CB A 34 ASN CG 1.0 -90.0 -30.0 CHI1 146 146 A 35 THR N A 35 THR CA A 35 THR CB A 35 THR OG1 1.0 30.0 90.0 CHI1 147 147 A 37 LEU N A 37 LEU CA A 37 LEU CB A 37 LEU CG 1.0 -90.0 -30.0 CHI1 148 148 A 41 GLN N A 41 GLN CA A 41 GLN CB A 41 GLN CG 1.0 -90.0 -30.0 CHI1 149 149 A 43 ASN N A 43 ASN CA A 43 ASN CB A 43 ASN CG 1.0 -90.0 -30.0 CHI1 150 150 A 47 THR N A 47 THR CA A 47 THR CB A 47 THR OG1 1.0 -90.0 -30.0 CHI1 151 151 A 49 ILE N A 49 ILE CA A 49 ILE CB A 49 ILE CG1 1.0 -90.0 -30.0 CHI1 152 152 A 50 ASP N A 50 ASP CA A 50 ASP CB A 50 ASP CG 1.0 -90.0 -30.0 CHI1 153 153 A 53 ASN N A 53 ASN CA A 53 ASN CB A 53 ASN CG 1.0 -90.0 -30.0 CHI1 154 154 A 54 ASP N A 54 ASP CA A 54 ASP CB A 54 ASP CG 1.0 150.0 210.0 CHI1 155 155 A 56 ASP N A 56 ASP CA A 56 ASP CB A 56 ASP CG 1.0 -90.0 -30.0 CHI1 156 156 A 59 LEU N A 59 LEU CA A 59 LEU CB A 59 LEU CG 1.0 -90.0 -30.0 CHI1 157 157 A 64 GLN N A 64 GLN CA A 64 GLN CB A 64 GLN CG 1.0 -90.0 -30.0 CHI1 158 158 A 66 ASN N A 66 ASN CA A 66 ASN CB A 66 ASN CG 1.0 -90.0 -30.0 CHI1 159 159 A 68 THR N A 68 THR CA A 68 THR CB A 68 THR OG1 1.0 -90.0 -30.0 CHI1 160 160 A 71 LEU N A 71 LEU CA A 71 LEU CB A 71 LEU CG 1.0 -90.0 -30.0 CHI1 161 161 A 72 LEU N A 72 LEU CA A 72 LEU CB A 72 LEU CG 1.0 -90.0 -30.0 CHI1 162 162 A 74 ILE N A 74 ILE CA A 74 ILE CB A 74 ILE CG1 1.0 -90.0 -30.0 CHI1 163 163 A 78 GLU N A 78 GLU CA A 78 GLU CB A 78 GLU CG 1.0 -90.0 -30.0 CHI1 164 164 A 80 VAL N A 80 VAL CA A 80 VAL CB A 80 VAL CG1 1.0 150.0 210.0 CHI1 165 165 A 83 ASP N A 83 ASP CA A 83 ASP CB A 83 ASP CG 1.0 -90.0 -30.0 CHI1 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.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 Hz . . 9615.3846 . . . . 2 Hz . . 9615.3846 . aliased . . 3 Hz . . 2000 . aliased . . 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.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 Hz . . 9615.3846 . . . . 2 Hz . . 9615.3846 . aliased . . 3 Hz . . 8849.5575 . aliased . . 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.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 Hz . . 9615.3846 . . . . 2 Hz . . 9615.3846 . aliased . . 3 Hz . . 8849.5575 . aliased . . stop_ save_