data_nef_c18805_2m0c save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code TargetDB HR4490C 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 SER start . . 2 A 2 HIS middle . . 3 A 3 MET middle . . 4 A 4 SER middle . . 5 A 5 ASN middle . . 6 A 6 LYS middle . . 7 A 7 GLY middle . false 8 A 8 LYS middle . . 9 A 9 LYS middle . . 10 A 10 ARG middle . . 11 A 11 ARG middle . . 12 A 12 ASN middle . . 13 A 13 ARG middle . . 14 A 14 THR middle . . 15 A 15 THR middle . . 16 A 16 PHE middle . . 17 A 17 THR middle . . 18 A 18 SER middle . . 19 A 19 TYR middle . . 20 A 20 GLN middle . . 21 A 21 LEU middle . . 22 A 22 GLU middle . . 23 A 23 GLU middle . . 24 A 24 LEU middle . . 25 A 25 GLU middle . . 26 A 26 LYS middle . . 27 A 27 VAL middle . . 28 A 28 PHE middle . . 29 A 29 GLN middle . . 30 A 30 LYS middle . . 31 A 31 THR middle . . 32 A 32 HIS middle . . 33 A 33 TYR middle . . 34 A 34 PRO middle . false 35 A 35 ASP middle . . 36 A 36 VAL middle . . 37 A 37 TYR middle . . 38 A 38 ALA middle . . 39 A 39 ARG middle . . 40 A 40 GLU middle . . 41 A 41 GLN middle . . 42 A 42 LEU middle . . 43 A 43 ALA middle . . 44 A 44 MET middle . . 45 A 45 ARG middle . . 46 A 46 THR middle . . 47 A 47 ASP middle . . 48 A 48 LEU middle . . 49 A 49 THR middle . . 50 A 50 GLU middle . . 51 A 51 ALA middle . . 52 A 52 ARG middle . . 53 A 53 VAL middle . . 54 A 54 GLN middle . . 55 A 55 VAL middle . . 56 A 56 TRP middle . . 57 A 57 PHE middle . . 58 A 58 GLN middle . . 59 A 59 ASN middle . . 60 A 60 ARG middle . . 61 A 61 ARG middle . . 62 A 62 ALA middle . . 63 A 63 LYS middle . . 64 A 64 TRP middle . . 65 A 65 ARG middle . . 66 A 66 LYS middle . . 67 A 67 ARG middle . . 68 A 68 GLU middle . . 69 A 69 ARG middle . . 70 A 70 PHE middle . . 71 A 71 GLY middle . false 72 A 72 GLN middle . . 73 A 73 MET middle . . 74 A 74 GLN middle . . 75 A 75 GLN end . . stop_ save_ save_HR4490C.str _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode HR4490C.str 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 16 PHE H H 1 9.114 0.02 A 16 PHE HA H 1 5.000 0.02 A 16 PHE HB2 H 1 2.799 0.02 A 16 PHE HB3 H 1 3.179 0.02 A 16 PHE HD1 H 1 7.239 0.02 A 16 PHE HD2 H 1 7.239 0.02 A 16 PHE HE1 H 1 7.309 0.02 A 16 PHE HE2 H 1 7.309 0.02 A 16 PHE HZ H 1 7.445 0.02 A 16 PHE C C 13 176.744 0.40 A 16 PHE CA C 13 57.425 0.40 A 16 PHE CB C 13 41.475 0.40 A 16 PHE CD1 C 13 131.579 0.40 A 16 PHE CE1 C 13 131.303 0.40 A 16 PHE CZ C 13 129.329 0.40 A 17 THR H H 1 9.106 0.02 A 17 THR HA H 1 4.552 0.02 A 17 THR HB H 1 4.828 0.02 A 17 THR HG2% H 1 1.345 0.02 A 17 THR C C 13 175.352 0.40 A 17 THR CA C 13 60.392 0.40 A 17 THR CB C 13 71.013 0.40 A 17 THR CG2 C 13 21.735 0.40 A 17 THR N N 15 113.394 0.40 A 18 SER HA H 1 4.146 0.02 A 18 SER HBy H 1 4.145 0.02 A 18 SER HBx H 1 3.985 0.02 A 18 SER C C 13 176.860 0.40 A 18 SER CA C 13 62.173 0.40 A 18 SER CB C 13 62.172 0.40 A 19 TYR H H 1 8.145 0.02 A 19 TYR HA H 1 4.340 0.02 A 19 TYR HBx H 1 2.758 0.02 A 19 TYR HBy H 1 3.257 0.02 A 19 TYR HD1 H 1 7.103 0.02 A 19 TYR HD2 H 1 7.103 0.02 A 19 TYR HE1 H 1 6.816 0.02 A 19 TYR HE2 H 1 6.816 0.02 A 19 TYR C C 13 176.860 0.40 A 19 TYR CA C 13 60.736 0.40 A 19 TYR CB C 13 38.557 0.40 A 19 TYR CD2 C 13 133.070 0.40 A 19 TYR CE2 C 13 118.249 0.40 A 19 TYR N N 15 121.561 0.40 A 20 GLN H H 1 7.545 0.02 A 20 GLN HA H 1 3.359 0.02 A 20 GLN HB2 H 1 2.634 0.02 A 20 GLN HB3 H 1 1.608 0.02 A 20 GLN HE2y H 1 8.030 0.02 A 20 GLN HE2x H 1 6.808 0.02 A 20 GLN HGx H 1 2.532 0.02 A 20 GLN HGy H 1 2.735 0.02 A 20 GLN C C 13 177.344 0.40 A 20 GLN CA C 13 59.633 0.40 A 20 GLN CB C 13 27.866 0.40 A 20 GLN CG C 13 35.072 0.40 A 20 GLN N N 15 116.967 0.40 A 20 GLN NE2 N 15 110.933 0.40 A 21 LEU H H 1 8.116 0.02 A 21 LEU HA H 1 3.532 0.02 A 21 LEU HB2 H 1 1.770 0.02 A 21 LEU HB3 H 1 1.487 0.02 A 21 LEU HD1% H 1 0.910 0.02 A 21 LEU HD2% H 1 0.739 0.02 A 21 LEU HG H 1 1.669 0.02 A 21 LEU C C 13 178.858 0.40 A 21 LEU CA C 13 57.774 0.40 A 21 LEU CB C 13 41.660 0.40 A 21 LEU CD1 C 13 25.155 0.40 A 21 LEU CD2 C 13 23.283 0.40 A 21 LEU CG C 13 26.707 0.40 A 21 LEU N N 15 115.751 0.40 A 22 GLU H H 1 8.108 0.02 A 22 GLU HA H 1 3.876 0.02 A 22 GLU HBx H 1 1.965 0.02 A 22 GLU HBy H 1 2.169 0.02 A 22 GLU HGx H 1 2.179 0.02 A 22 GLU HGy H 1 2.379 0.02 A 22 GLU C C 13 179.617 0.40 A 22 GLU CA C 13 59.244 0.40 A 22 GLU CB C 13 29.454 0.40 A 22 GLU CG C 13 36.454 0.40 A 22 GLU N N 15 118.939 0.40 A 23 GLU H H 1 7.631 0.02 A 23 GLU HA H 1 3.699 0.02 A 23 GLU HBx H 1 1.544 0.02 A 23 GLU HBy H 1 1.673 0.02 A 23 GLU HGx H 1 1.564 0.02 A 23 GLU HGy H 1 1.767 0.02 A 23 GLU C C 13 179.328 0.40 A 23 GLU CA C 13 58.616 0.40 A 23 GLU CB C 13 29.191 0.40 A 23 GLU CG C 13 36.080 0.40 A 23 GLU N N 15 117.643 0.40 A 24 LEU H H 1 7.995 0.02 A 24 LEU HA H 1 3.490 0.02 A 24 LEU HB2 H 1 0.467 0.02 A 24 LEU HB3 H 1 -1.161 0.02 A 24 LEU HD1% H 1 -0.749 0.02 A 24 LEU HD2% H 1 0.407 0.02 A 24 LEU HG H 1 1.098 0.02 A 24 LEU C C 13 177.731 0.40 A 24 LEU CA C 13 58.732 0.40 A 24 LEU CB C 13 38.207 0.40 A 24 LEU CD1 C 13 23.500 0.40 A 24 LEU CD2 C 13 23.192 0.40 A 24 LEU CG C 13 26.230 0.40 A 24 LEU N N 15 122.218 0.40 A 25 GLU H H 1 7.833 0.02 A 25 GLU HA H 1 4.278 0.02 A 25 GLU HBx H 1 1.940 0.02 A 25 GLU HBy H 1 2.129 0.02 A 25 GLU HGx H 1 2.371 0.02 A 25 GLU HGy H 1 2.457 0.02 A 25 GLU C C 13 179.059 0.40 A 25 GLU CA C 13 58.612 0.40 A 25 GLU CB C 13 28.957 0.40 A 25 GLU CG C 13 34.525 0.40 A 25 GLU N N 15 118.406 0.40 A 26 LYS H H 1 7.795 0.02 A 26 LYS HA H 1 3.978 0.02 A 26 LYS HBx H 1 1.816 0.02 A 26 LYS HBy H 1 1.903 0.02 A 26 LYS HDx H 1 1.617 0.02 A 26 LYS HDy H 1 1.672 0.02 A 26 LYS HE2 H 1 2.851 0.02 A 26 LYS HE3 H 1 2.851 0.02 A 26 LYS HGx H 1 1.429 0.02 A 26 LYS HGy H 1 1.671 0.02 A 26 LYS C C 13 180.388 0.40 A 26 LYS CA C 13 59.919 0.40 A 26 LYS CB C 13 32.821 0.40 A 26 LYS CD C 13 29.755 0.40 A 26 LYS CE C 13 41.940 0.40 A 26 LYS CG C 13 25.853 0.40 A 26 LYS N N 15 118.033 0.40 A 27 VAL H H 1 7.316 0.02 A 27 VAL HA H 1 3.853 0.02 A 27 VAL HB H 1 2.384 0.02 A 27 VAL HG1% H 1 1.017 0.02 A 27 VAL HG2% H 1 1.132 0.02 A 27 VAL C C 13 177.057 0.40 A 27 VAL CA C 13 66.944 0.40 A 27 VAL CB C 13 31.034 0.40 A 27 VAL CG1 C 13 21.608 0.40 A 27 VAL CG2 C 13 23.956 0.40 A 27 VAL N N 15 118.207 0.40 A 28 PHE H H 1 8.540 0.02 A 28 PHE HA H 1 4.744 0.02 A 28 PHE HB2 H 1 3.143 0.02 A 28 PHE HB3 H 1 3.222 0.02 A 28 PHE HD1 H 1 7.114 0.02 A 28 PHE HD2 H 1 7.114 0.02 A 28 PHE HE1 H 1 6.650 0.02 A 28 PHE HE2 H 1 6.650 0.02 A 28 PHE HZ H 1 5.845 0.02 A 28 PHE C C 13 175.721 0.40 A 28 PHE CA C 13 61.452 0.40 A 28 PHE CB C 13 38.872 0.40 A 28 PHE CD1 C 13 131.692 0.40 A 28 PHE CE1 C 13 130.234 0.40 A 28 PHE CZ C 13 127.831 0.40 A 28 PHE N N 15 122.791 0.40 A 29 GLN H H 1 8.129 0.02 A 29 GLN HA H 1 3.843 0.02 A 29 GLN HBx H 1 2.078 0.02 A 29 GLN HBy H 1 2.226 0.02 A 29 GLN HE21 H 1 7.937 0.02 A 29 GLN HE22 H 1 6.966 0.02 A 29 GLN HG2 H 1 2.674 0.02 A 29 GLN HG3 H 1 2.674 0.02 A 29 GLN C C 13 177.467 0.40 A 29 GLN CA C 13 57.595 0.40 A 29 GLN CB C 13 28.204 0.40 A 29 GLN CG C 13 34.013 0.40 A 29 GLN N N 15 112.048 0.40 A 29 GLN NE2 N 15 113.281 0.40 A 30 LYS H H 1 7.599 0.02 A 30 LYS HA H 1 4.260 0.02 A 30 LYS HBx H 1 1.948 0.02 A 30 LYS HBy H 1 2.025 0.02 A 30 LYS HD2 H 1 1.675 0.02 A 30 LYS HD3 H 1 1.675 0.02 A 30 LYS HE2 H 1 2.999 0.02 A 30 LYS HE3 H 1 2.999 0.02 A 30 LYS HGx H 1 1.450 0.02 A 30 LYS HGy H 1 1.596 0.02 A 30 LYS C C 13 176.920 0.40 A 30 LYS CA C 13 57.449 0.40 A 30 LYS CB C 13 33.450 0.40 A 30 LYS CD C 13 29.050 0.40 A 30 LYS CE C 13 42.105 0.40 A 30 LYS CG C 13 24.832 0.40 A 30 LYS N N 15 118.854 0.40 A 31 THR H H 1 8.840 0.02 A 31 THR HA H 1 4.279 0.02 A 31 THR HB H 1 4.091 0.02 A 31 THR HG2% H 1 0.952 0.02 A 31 THR C C 13 171.092 0.40 A 31 THR CA C 13 59.113 0.40 A 31 THR CB C 13 69.375 0.40 A 31 THR CG2 C 13 19.057 0.40 A 31 THR N N 15 115.210 0.40 A 32 HIS H H 1 8.342 0.02 A 32 HIS HA H 1 4.343 0.02 A 32 HIS HBx H 1 2.382 0.02 A 32 HIS HBy H 1 2.651 0.02 A 32 HIS HD2 H 1 5.884 0.02 A 32 HIS HE1 H 1 5.822 0.02 A 32 HIS C C 13 174.598 0.40 A 32 HIS CA C 13 55.323 0.40 A 32 HIS CB C 13 30.975 0.40 A 32 HIS CD2 C 13 117.685 0.40 A 32 HIS CE1 C 13 135.723 0.40 A 32 HIS N N 15 123.048 0.40 A 33 TYR H H 1 8.109 0.02 A 33 TYR HA H 1 4.703 0.02 A 33 TYR HBx H 1 2.562 0.02 A 33 TYR HBy H 1 2.975 0.02 A 33 TYR HD1 H 1 7.057 0.02 A 33 TYR HD2 H 1 7.057 0.02 A 33 TYR HE1 H 1 6.819 0.02 A 33 TYR HE2 H 1 6.819 0.02 A 33 TYR C C 13 172.558 0.40 A 33 TYR CA C 13 55.146 0.40 A 33 TYR CB C 13 38.868 0.40 A 33 TYR CD2 C 13 133.544 0.40 A 33 TYR CE2 C 13 117.938 0.40 A 33 TYR N N 15 114.650 0.40 A 34 PRO HA H 1 4.273 0.02 A 34 PRO HB2 H 1 1.515 0.02 A 34 PRO HB3 H 1 1.515 0.02 A 34 PRO HDx H 1 2.920 0.02 A 34 PRO HDy H 1 3.097 0.02 A 34 PRO HGx H 1 0.134 0.02 A 34 PRO HGy H 1 1.042 0.02 A 34 PRO C C 13 177.097 0.40 A 34 PRO CA C 13 62.413 0.40 A 34 PRO CB C 13 30.790 0.40 A 34 PRO CD C 13 50.603 0.40 A 34 PRO CG C 13 25.621 0.40 A 35 ASP H H 1 8.547 0.02 A 35 ASP HA H 1 4.447 0.02 A 35 ASP HBx H 1 2.822 0.02 A 35 ASP HBy H 1 3.233 0.02 A 35 ASP C C 13 175.603 0.40 A 35 ASP CA C 13 52.685 0.40 A 35 ASP CB C 13 40.952 0.40 A 35 ASP N N 15 124.197 0.40 A 36 VAL H H 1 8.281 0.02 A 36 VAL HA H 1 3.473 0.02 A 36 VAL HB H 1 1.951 0.02 A 36 VAL HG1% H 1 0.685 0.02 A 36 VAL HG2% H 1 0.916 0.02 A 36 VAL C C 13 176.268 0.40 A 36 VAL CA C 13 66.404 0.40 A 36 VAL CB C 13 31.419 0.40 A 36 VAL CG1 C 13 19.421 0.40 A 36 VAL CG2 C 13 21.858 0.40 A 36 VAL N N 15 118.006 0.40 A 37 TYR H H 1 7.423 0.02 A 37 TYR HA H 1 4.305 0.02 A 37 TYR HB2 H 1 3.086 0.02 A 37 TYR HB3 H 1 3.086 0.02 A 37 TYR HD1 H 1 7.200 0.02 A 37 TYR HD2 H 1 7.200 0.02 A 37 TYR HE1 H 1 6.817 0.02 A 37 TYR HE2 H 1 6.817 0.02 A 37 TYR C C 13 178.136 0.40 A 37 TYR CA C 13 60.808 0.40 A 37 TYR CB C 13 37.392 0.40 A 37 TYR CD2 C 13 133.141 0.40 A 37 TYR CE2 C 13 118.265 0.40 A 37 TYR N N 15 121.225 0.40 A 38 ALA H H 1 8.376 0.02 A 38 ALA HA H 1 4.071 0.02 A 38 ALA HB% H 1 1.454 0.02 A 38 ALA C C 13 182.258 0.40 A 38 ALA CA C 13 54.885 0.40 A 38 ALA CB C 13 18.336 0.40 A 38 ALA N N 15 122.550 0.40 A 39 ARG H H 1 8.699 0.02 A 39 ARG HA H 1 3.834 0.02 A 39 ARG HB2 H 1 2.218 0.02 A 39 ARG HB3 H 1 1.614 0.02 A 39 ARG HDx H 1 2.826 0.02 A 39 ARG HDy H 1 3.256 0.02 A 39 ARG HGy H 1 1.998 0.02 A 39 ARG HGx H 1 0.686 0.02 A 39 ARG C C 13 178.142 0.40 A 39 ARG CA C 13 60.991 0.40 A 39 ARG CB C 13 31.335 0.40 A 39 ARG CD C 13 43.873 0.40 A 39 ARG CG C 13 29.266 0.40 A 39 ARG N N 15 117.400 0.40 A 40 GLU H H 1 8.672 0.02 A 40 GLU HA H 1 3.943 0.02 A 40 GLU HBx H 1 2.057 0.02 A 40 GLU HBy H 1 2.270 0.02 A 40 GLU HGx H 1 2.194 0.02 A 40 GLU HGy H 1 2.500 0.02 A 40 GLU C C 13 179.598 0.40 A 40 GLU CA C 13 59.805 0.40 A 40 GLU CB C 13 29.508 0.40 A 40 GLU CG C 13 36.544 0.40 A 40 GLU N N 15 121.231 0.40 A 41 GLN H H 1 8.264 0.02 A 41 GLN HA H 1 3.958 0.02 A 41 GLN HBy H 1 2.039 0.02 A 41 GLN HBx H 1 2.010 0.02 A 41 GLN HE2y H 1 7.255 0.02 A 41 GLN HE2x H 1 6.856 0.02 A 41 GLN HGy H 1 2.197 0.02 A 41 GLN HGx H 1 2.129 0.02 A 41 GLN C C 13 178.675 0.40 A 41 GLN CA C 13 58.594 0.40 A 41 GLN CB C 13 28.396 0.40 A 41 GLN CG C 13 33.884 0.40 A 41 GLN N N 15 118.662 0.40 A 41 GLN NE2 N 15 113.895 0.40 A 42 LEU H H 1 7.909 0.02 A 42 LEU HA H 1 4.009 0.02 A 42 LEU HB2 H 1 1.855 0.02 A 42 LEU HB3 H 1 1.813 0.02 A 42 LEU HD1% H 1 0.900 0.02 A 42 LEU HD2% H 1 0.996 0.02 A 42 LEU HG H 1 1.540 0.02 A 42 LEU C C 13 179.727 0.40 A 42 LEU CA C 13 57.600 0.40 A 42 LEU CB C 13 42.752 0.40 A 42 LEU CD1 C 13 24.017 0.40 A 42 LEU CD2 C 13 26.240 0.40 A 42 LEU CG C 13 27.254 0.40 A 42 LEU N N 15 121.044 0.40 A 43 ALA H H 1 8.647 0.02 A 43 ALA HA H 1 3.697 0.02 A 43 ALA HB% H 1 1.388 0.02 A 43 ALA C C 13 179.056 0.40 A 43 ALA CA C 13 55.561 0.40 A 43 ALA CB C 13 17.186 0.40 A 43 ALA N N 15 124.342 0.40 A 44 MET H H 1 7.926 0.02 A 44 MET HA H 1 4.262 0.02 A 44 MET HB2 H 1 2.226 0.02 A 44 MET HB3 H 1 2.226 0.02 A 44 MET HE% H 1 2.108 0.02 A 44 MET HGy H 1 2.768 0.02 A 44 MET HGx H 1 2.632 0.02 A 44 MET C C 13 179.154 0.40 A 44 MET CA C 13 58.569 0.40 A 44 MET CB C 13 32.138 0.40 A 44 MET CE C 13 16.930 0.40 A 44 MET CG C 13 31.903 0.40 A 44 MET N N 15 115.878 0.40 A 45 ARG H H 1 7.903 0.02 A 45 ARG HA H 1 4.402 0.02 A 45 ARG HBy H 1 2.039 0.02 A 45 ARG HBx H 1 1.914 0.02 A 45 ARG HD2 H 1 3.226 0.02 A 45 ARG HD3 H 1 3.226 0.02 A 45 ARG HG2 H 1 1.802 0.02 A 45 ARG HG3 H 1 1.802 0.02 A 45 ARG C C 13 177.591 0.40 A 45 ARG CA C 13 58.315 0.40 A 45 ARG CB C 13 30.909 0.40 A 45 ARG CD C 13 43.483 0.40 A 45 ARG CG C 13 27.849 0.40 A 45 ARG N N 15 116.503 0.40 A 46 THR H H 1 7.662 0.02 A 46 THR HA H 1 4.501 0.02 A 46 THR HB H 1 4.306 0.02 A 46 THR HG1 H 1 4.146 0.02 A 46 THR HG2% H 1 1.017 0.02 A 46 THR C C 13 174.417 0.40 A 46 THR CA C 13 61.808 0.40 A 46 THR CB C 13 70.714 0.40 A 46 THR CG2 C 13 22.737 0.40 A 46 THR N N 15 105.711 0.40 A 47 ASP H H 1 7.922 0.02 A 47 ASP HA H 1 4.472 0.02 A 47 ASP HBy H 1 3.172 0.02 A 47 ASP HBx H 1 2.692 0.02 A 47 ASP C C 13 174.537 0.40 A 47 ASP CA C 13 55.933 0.40 A 47 ASP CB C 13 39.565 0.40 A 47 ASP N N 15 120.391 0.40 A 48 LEU H H 1 8.072 0.02 A 48 LEU HA H 1 4.891 0.02 A 48 LEU HB2 H 1 1.576 0.02 A 48 LEU HB3 H 1 1.377 0.02 A 48 LEU HD1% H 1 0.760 0.02 A 48 LEU HD2% H 1 0.969 0.02 A 48 LEU HG H 1 1.662 0.02 A 48 LEU C C 13 176.180 0.40 A 48 LEU CA C 13 52.943 0.40 A 48 LEU CB C 13 46.638 0.40 A 48 LEU CD1 C 13 26.026 0.40 A 48 LEU CD2 C 13 24.078 0.40 A 48 LEU CG C 13 26.886 0.40 A 48 LEU N N 15 118.406 0.40 A 49 THR H H 1 7.071 0.02 A 49 THR HA H 1 4.597 0.02 A 49 THR HB H 1 4.683 0.02 A 49 THR HG2% H 1 1.325 0.02 A 49 THR C C 13 175.667 0.40 A 49 THR CA C 13 59.573 0.40 A 49 THR CB C 13 71.085 0.40 A 49 THR CG2 C 13 22.246 0.40 A 49 THR N N 15 106.891 0.40 A 50 GLU H H 1 9.271 0.02 A 50 GLU HA H 1 3.721 0.02 A 50 GLU HBx H 1 1.991 0.02 A 50 GLU HBy H 1 2.185 0.02 A 50 GLU HGx H 1 2.160 0.02 A 50 GLU HGy H 1 2.401 0.02 A 50 GLU C C 13 178.112 0.40 A 50 GLU CA C 13 60.982 0.40 A 50 GLU CB C 13 28.654 0.40 A 50 GLU CG C 13 36.643 0.40 A 50 GLU N N 15 124.013 0.40 A 51 ALA H H 1 8.377 0.02 A 51 ALA HA H 1 4.108 0.02 A 51 ALA HB% H 1 1.451 0.02 A 51 ALA C C 13 180.493 0.40 A 51 ALA CA C 13 55.200 0.40 A 51 ALA CB C 13 18.397 0.40 A 51 ALA N N 15 119.708 0.40 A 52 ARG H H 1 7.756 0.02 A 52 ARG HA H 1 4.213 0.02 A 52 ARG HBx H 1 1.970 0.02 A 52 ARG HBy H 1 2.127 0.02 A 52 ARG HDx H 1 3.224 0.02 A 52 ARG HDy H 1 3.349 0.02 A 52 ARG HE H 1 8.708 0.02 A 52 ARG HGx H 1 1.830 0.02 A 52 ARG HGy H 1 1.972 0.02 A 52 ARG C C 13 179.734 0.40 A 52 ARG CA C 13 59.006 0.40 A 52 ARG CB C 13 30.626 0.40 A 52 ARG CD C 13 43.445 0.40 A 52 ARG CG C 13 27.652 0.40 A 52 ARG N N 15 117.740 0.40 A 52 ARG NE N 15 80.866 0.40 A 53 VAL H H 1 8.206 0.02 A 53 VAL HA H 1 3.706 0.02 A 53 VAL HB H 1 2.495 0.02 A 53 VAL HG1% H 1 1.095 0.02 A 53 VAL HG2% H 1 1.009 0.02 A 53 VAL C C 13 177.734 0.40 A 53 VAL CA C 13 67.350 0.40 A 53 VAL CB C 13 31.900 0.40 A 53 VAL CG1 C 13 22.816 0.40 A 53 VAL CG2 C 13 23.531 0.40 A 53 VAL N N 15 120.607 0.40 A 54 GLN H H 1 8.747 0.02 A 54 GLN HA H 1 4.401 0.02 A 54 GLN HB2 H 1 2.263 0.02 A 54 GLN HB3 H 1 2.263 0.02 A 54 GLN HE2y H 1 7.723 0.02 A 54 GLN HE2x H 1 6.691 0.02 A 54 GLN HGx H 1 2.335 0.02 A 54 GLN HGy H 1 2.464 0.02 A 54 GLN C C 13 179.055 0.40 A 54 GLN CA C 13 60.036 0.40 A 54 GLN CB C 13 28.509 0.40 A 54 GLN CG C 13 33.361 0.40 A 54 GLN N N 15 119.441 0.40 A 54 GLN NE2 N 15 110.877 0.40 A 55 VAL H H 1 7.973 0.02 A 55 VAL HA H 1 3.783 0.02 A 55 VAL HB H 1 2.244 0.02 A 55 VAL HG1% H 1 1.075 0.02 A 55 VAL HG2% H 1 1.177 0.02 A 55 VAL C C 13 177.751 0.40 A 55 VAL CA C 13 66.575 0.40 A 55 VAL CB C 13 32.017 0.40 A 55 VAL CG1 C 13 21.425 0.40 A 55 VAL CG2 C 13 23.241 0.40 A 55 VAL N N 15 119.951 0.40 A 56 TRP H H 1 8.351 0.02 A 56 TRP HA H 1 4.075 0.02 A 56 TRP HB2 H 1 3.189 0.02 A 56 TRP HB3 H 1 3.488 0.02 A 56 TRP HD1 H 1 6.607 0.02 A 56 TRP HE1 H 1 9.049 0.02 A 56 TRP HE3 H 1 6.459 0.02 A 56 TRP HH2 H 1 6.500 0.02 A 56 TRP HZ2 H 1 7.146 0.02 A 56 TRP HZ3 H 1 5.506 0.02 A 56 TRP C C 13 179.849 0.40 A 56 TRP CA C 13 63.249 0.40 A 56 TRP CB C 13 28.266 0.40 A 56 TRP CD1 C 13 126.938 0.40 A 56 TRP CE3 C 13 121.123 0.40 A 56 TRP CH2 C 13 123.617 0.40 A 56 TRP CZ2 C 13 113.937 0.40 A 56 TRP CZ3 C 13 121.028 0.40 A 56 TRP N N 15 121.386 0.40 A 56 TRP NE1 N 15 127.954 0.40 A 57 PHE H H 1 8.924 0.02 A 57 PHE HA H 1 3.629 0.02 A 57 PHE HB2 H 1 3.391 0.02 A 57 PHE HB3 H 1 3.195 0.02 A 57 PHE HD1 H 1 7.787 0.02 A 57 PHE HD2 H 1 7.787 0.02 A 57 PHE HE1 H 1 7.517 0.02 A 57 PHE HE2 H 1 7.517 0.02 A 57 PHE HZ H 1 7.399 0.02 A 57 PHE C C 13 178.058 0.40 A 57 PHE CA C 13 63.831 0.40 A 57 PHE CB C 13 39.161 0.40 A 57 PHE CD1 C 13 131.858 0.40 A 57 PHE CE1 C 13 131.694 0.40 A 57 PHE CZ C 13 129.986 0.40 A 57 PHE N N 15 118.444 0.40 A 58 GLN H H 1 8.322 0.02 A 58 GLN HA H 1 3.958 0.02 A 58 GLN HBx H 1 2.172 0.02 A 58 GLN HBy H 1 2.347 0.02 A 58 GLN HE2y H 1 7.479 0.02 A 58 GLN HE2x H 1 6.895 0.02 A 58 GLN HGx H 1 2.459 0.02 A 58 GLN HGy H 1 2.585 0.02 A 58 GLN C C 13 179.475 0.40 A 58 GLN CA C 13 59.730 0.40 A 58 GLN CB C 13 28.108 0.40 A 58 GLN CG C 13 33.731 0.40 A 58 GLN N N 15 119.552 0.40 A 58 GLN NE2 N 15 111.013 0.40 A 59 ASN H H 1 8.158 0.02 A 59 ASN HA H 1 4.344 0.02 A 59 ASN HBx H 1 2.473 0.02 A 59 ASN HBy H 1 2.668 0.02 A 59 ASN HD2y H 1 7.521 0.02 A 59 ASN HD2x H 1 6.976 0.02 A 59 ASN C C 13 177.212 0.40 A 59 ASN CA C 13 55.536 0.40 A 59 ASN CB C 13 37.920 0.40 A 59 ASN N N 15 119.095 0.40 A 59 ASN ND2 N 15 113.556 0.40 A 60 ARG H H 1 8.494 0.02 A 60 ARG HA H 1 3.383 0.02 A 60 ARG HB2 H 1 -0.616 0.02 A 60 ARG HB3 H 1 0.587 0.02 A 60 ARG HDx H 1 1.994 0.02 A 60 ARG HDy H 1 2.292 0.02 A 60 ARG HGx H 1 -0.711 0.02 A 60 ARG HGy H 1 -0.337 0.02 A 60 ARG C C 13 179.622 0.40 A 60 ARG CA C 13 56.532 0.40 A 60 ARG CB C 13 27.904 0.40 A 60 ARG CD C 13 40.477 0.40 A 60 ARG CG C 13 23.843 0.40 A 60 ARG N N 15 124.480 0.40 A 61 ARG H H 1 8.310 0.02 A 61 ARG HA H 1 3.946 0.02 A 61 ARG HBx H 1 1.809 0.02 A 61 ARG HBy H 1 2.125 0.02 A 61 ARG HDy H 1 2.848 0.02 A 61 ARG HDx H 1 2.656 0.02 A 61 ARG HGx H 1 1.274 0.02 A 61 ARG HGy H 1 2.183 0.02 A 61 ARG C C 13 178.392 0.40 A 61 ARG CA C 13 60.599 0.40 A 61 ARG CB C 13 31.546 0.40 A 61 ARG CD C 13 43.628 0.40 A 61 ARG CG C 13 30.503 0.40 A 61 ARG N N 15 118.870 0.40 A 62 ALA H H 1 7.382 0.02 A 62 ALA HA H 1 4.163 0.02 A 62 ALA HB% H 1 1.513 0.02 A 62 ALA C C 13 179.899 0.40 A 62 ALA CA C 13 55.109 0.40 A 62 ALA CB C 13 17.754 0.40 A 62 ALA N N 15 121.373 0.40 A 63 LYS H H 1 7.573 0.02 A 63 LYS HA H 1 3.986 0.02 A 63 LYS HB2 H 1 1.735 0.02 A 63 LYS HB3 H 1 1.735 0.02 A 63 LYS HDx H 1 1.480 0.02 A 63 LYS HDy H 1 1.670 0.02 A 63 LYS HE2 H 1 2.817 0.02 A 63 LYS HE3 H 1 2.817 0.02 A 63 LYS HGx H 1 1.278 0.02 A 63 LYS HGy H 1 1.406 0.02 A 63 LYS C C 13 178.259 0.40 A 63 LYS CA C 13 58.727 0.40 A 63 LYS CB C 13 32.634 0.40 A 63 LYS CD C 13 29.381 0.40 A 63 LYS CE C 13 41.923 0.40 A 63 LYS CG C 13 24.906 0.40 A 63 LYS N N 15 118.540 0.40 A 64 TRP H H 1 8.032 0.02 A 64 TRP HA H 1 4.436 0.02 A 64 TRP HBx H 1 3.232 0.02 A 64 TRP HBy H 1 3.579 0.02 A 64 TRP HD1 H 1 7.448 0.02 A 64 TRP HE1 H 1 10.357 0.02 A 64 TRP HE3 H 1 7.647 0.02 A 64 TRP HH2 H 1 7.311 0.02 A 64 TRP HZ2 H 1 7.571 0.02 A 64 TRP HZ3 H 1 7.239 0.02 A 64 TRP C C 13 177.662 0.40 A 64 TRP CA C 13 60.130 0.40 A 64 TRP CB C 13 29.138 0.40 A 64 TRP CD1 C 13 127.264 0.40 A 64 TRP CE3 C 13 120.295 0.40 A 64 TRP CH2 C 13 124.730 0.40 A 64 TRP CZ2 C 13 114.787 0.40 A 64 TRP CZ3 C 13 122.042 0.40 A 64 TRP N N 15 121.094 0.40 A 64 TRP NE1 N 15 130.118 0.40 A 65 ARG H H 1 8.232 0.02 A 65 ARG HA H 1 3.783 0.02 A 65 ARG HBy H 1 1.934 0.02 A 65 ARG HBx H 1 1.903 0.02 A 65 ARG HDx H 1 3.221 0.02 A 65 ARG HDy H 1 3.312 0.02 A 65 ARG HGx H 1 1.694 0.02 A 65 ARG HGy H 1 1.923 0.02 A 65 ARG C C 13 177.342 0.40 A 65 ARG CA C 13 58.290 0.40 A 65 ARG CB C 13 30.580 0.40 A 65 ARG CD C 13 43.506 0.40 A 65 ARG CG C 13 27.926 0.40 A 65 ARG N N 15 118.674 0.40 A 66 LYS H H 1 7.591 0.02 A 66 LYS HA H 1 4.122 0.02 A 66 LYS HBx H 1 1.806 0.02 A 66 LYS HBy H 1 1.881 0.02 A 66 LYS HD2 H 1 1.670 0.02 A 66 LYS HD3 H 1 1.670 0.02 A 66 LYS HE2 H 1 2.950 0.02 A 66 LYS HE3 H 1 2.950 0.02 A 66 LYS HGx H 1 1.418 0.02 A 66 LYS HGy H 1 1.520 0.02 A 66 LYS C C 13 177.060 0.40 A 66 LYS CA C 13 57.389 0.40 A 66 LYS CB C 13 32.659 0.40 A 66 LYS CD C 13 29.137 0.40 A 66 LYS CE C 13 42.052 0.40 A 66 LYS CG C 13 25.034 0.40 A 66 LYS N N 15 118.567 0.40 A 67 ARG H H 1 7.722 0.02 A 67 ARG HA H 1 4.183 0.02 A 67 ARG HB2 H 1 1.782 0.02 A 67 ARG HB3 H 1 1.782 0.02 A 67 ARG HDy H 1 3.051 0.02 A 67 ARG HDx H 1 2.969 0.02 A 67 ARG HG2 H 1 1.522 0.02 A 67 ARG HG3 H 1 1.522 0.02 A 67 ARG C C 13 176.830 0.40 A 67 ARG CA C 13 56.879 0.40 A 67 ARG CB C 13 30.226 0.40 A 67 ARG CD C 13 43.151 0.40 A 67 ARG CG C 13 26.800 0.40 A 67 ARG N N 15 119.185 0.40 A 68 GLU H H 1 8.157 0.02 A 68 GLU HA H 1 4.087 0.02 A 68 GLU HBx H 1 1.697 0.02 A 68 GLU HBy H 1 1.867 0.02 A 68 GLU HG2 H 1 2.008 0.02 A 68 GLU HG3 H 1 2.008 0.02 A 68 GLU C C 13 176.803 0.40 A 68 GLU CA C 13 57.076 0.40 A 68 GLU CB C 13 30.099 0.40 A 68 GLU CG C 13 36.173 0.40 A 68 GLU N N 15 120.614 0.40 A 69 ARG H H 1 7.974 0.02 A 69 ARG C C 13 176.270 0.40 A 69 ARG CA C 13 66.543 0.40 A 69 ARG CB C 13 32.203 0.40 A 69 ARG N N 15 120.012 0.40 A 70 PHE HA H 1 4.577 0.02 A 70 PHE HBx H 1 2.999 0.02 A 70 PHE HBy H 1 3.186 0.02 A 70 PHE HD1 H 1 7.244 0.02 A 70 PHE HD2 H 1 7.244 0.02 A 70 PHE HE1 H 1 7.244 0.02 A 70 PHE HE2 H 1 7.244 0.02 A 70 PHE HZ H 1 7.279 0.02 A 70 PHE CA C 13 58.021 0.40 A 70 PHE CB C 13 39.295 0.40 A 70 PHE CD2 C 13 131.666 0.40 A 70 PHE CE2 C 13 131.423 0.40 A 70 PHE CZ C 13 129.712 0.40 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 16 PHE HB3 A 17 THR H 1.0 0.0 3.91 2 2 A 17 THR H A 20 GLN HB3 1.0 0.0 4.33 3 3 A 17 THR H A 17 THR HG2% 1.0 0.0 3.40 4 4 A 19 TYR H A 19 TYR HBy 1.0 0.0 4.12 5 5 A 19 TYR H A 19 TYR HBx 1.0 0.0 4.12 6 6 A 20 GLN HE2y A 46 THR HB 1.0 0.0 4.85 7 7 A 20 GLN HE2y A 48 LEU HD2% 1.0 0.0 4.27 8 8 A 19 TYR H A 20 GLN H 1.0 0.0 3.64 9 9 A 20 GLN HB3 A 20 GLN H 1.0 0.0 4.04 10 10 A 20 GLN HE2x A 47 ASP HBy 1.0 0.0 5.78 11 11 A 20 GLN HE2x A 48 LEU HG 1.0 0.0 4.61 12 12 A 48 LEU HD2% A 20 GLN HE2x 1.0 0.0 4.27 13 13 A 17 THR H A 21 LEU H 1.0 0.0 4.74 14 14 A 20 GLN H A 21 LEU H 1.0 0.0 3.72 15 15 A 21 LEU H A 18 SER HA 1.0 0.0 4.62 16 16 A 19 TYR HA A 22 GLU H 1.0 0.0 4.26 17 17 A 22 GLU H A 21 LEU HB3 1.0 0.0 4.04 18 18 A 20 GLN HA A 23 GLU H 1.0 0.0 4.51 19 19 A 23 GLU H A 46 THR HG2% 1.0 0.0 4.58 20 20 A 24 LEU H A 24 LEU HG 1.0 0.0 3.49 21 21 A 24 LEU H A 24 LEU HB2 1.0 0.0 3.52 22 22 A 22 GLU HA A 25 GLU H 1.0 0.0 4.55 23 23 A 25 GLU H A 21 LEU HA 1.0 0.0 4.80 24 24 A 24 LEU HB2 A 25 GLU H 1.0 0.0 3.72 25 25 A 26 LYS H A 27 VAL HB 1.0 0.0 5.78 26 26 A 51 ALA HB% A 52 ARG H 1.0 0.0 3.49 27 27 A 27 VAL H A 28 PHE H 1.0 0.0 3.42 28 28 A 27 VAL H A 29 GLN H 1.0 0.0 4.50 29 29 A 27 VAL H A 24 LEU HA 1.0 0.0 4.40 30 30 A 27 VAL HB A 27 VAL H 1.0 0.0 3.29 31 31 A 26 LYS H A 28 PHE H 1.0 0.0 4.89 32 32 A 28 PHE H A 25 GLU HA 1.0 0.0 4.32 33 33 A 27 VAL HB A 28 PHE H 1.0 0.0 3.80 34 34 A 29 GLN HE21 A 29 GLN HG2 1.0 0.0 3.73 35 34 A 29 GLN HG3 A 29 GLN HE21 1.0 0.0 3.73 36 35 A 29 GLN H A 31 THR H 1.0 0.0 4.85 37 36 A 29 GLN H A 30 LYS H 1.0 0.0 3.51 38 37 A 29 GLN H A 28 PHE HD% 1.0 0.0 4.79 39 38 A 29 GLN H A 28 PHE HB3 1.0 0.0 4.07 40 39 A 29 GLN H A 29 GLN HG2 1.0 0.0 3.39 41 39 A 29 GLN H A 29 GLN HG3 1.0 0.0 3.39 42 40 A 29 GLN HE22 A 29 GLN HG2 1.0 0.0 4.29 43 40 A 29 GLN HG3 A 29 GLN HE22 1.0 0.0 4.29 44 41 A 30 LYS H A 27 VAL HG1% 1.0 0.0 5.42 45 42 A 31 THR H A 30 LYS H 1.0 0.0 3.06 46 43 A 31 THR H A 27 VAL HA 1.0 0.0 4.48 47 44 A 31 THR H A 31 THR HG2% 1.0 0.0 3.42 48 45 A 31 THR HG2% A 33 TYR H 1.0 0.0 4.07 49 46 A 35 ASP H A 35 ASP HBy 1.0 0.0 4.27 50 47 A 35 ASP H A 35 ASP HBx 1.0 0.0 4.27 51 48 A 35 ASP H A 38 ALA HB% 1.0 0.0 3.45 52 49 A 31 THR HG2% A 35 ASP H 1.0 0.0 4.47 53 50 A 35 ASP HA A 36 VAL H 1.0 0.0 3.39 54 51 A 36 VAL H A 35 ASP HBx 1.0 0.0 3.86 55 52 A 36 VAL H A 36 VAL HB 1.0 0.0 3.31 56 53 A 36 VAL H A 36 VAL HG2% 1.0 0.0 3.87 57 54 A 37 TYR H A 39 ARG H 1.0 0.0 4.48 58 55 A 37 TYR H A 37 TYR HB2 1.0 0.0 3.16 59 55 A 37 TYR H A 37 TYR HB3 1.0 0.0 3.16 60 56 A 36 VAL HB A 37 TYR H 1.0 0.0 4.15 61 57 A 36 VAL HG2% A 37 TYR H 1.0 0.0 4.56 62 58 A 38 ALA H A 37 TYR HB2 1.0 0.0 3.46 63 58 A 37 TYR HB3 A 38 ALA H 1.0 0.0 3.46 64 59 A 38 ALA HB% A 38 ALA H 1.0 0.0 3.01 65 60 A 39 ARG H A 36 VAL HA 1.0 0.0 4.34 66 61 A 39 ARG H A 39 ARG HB2 1.0 0.0 3.62 67 62 A 39 ARG H A 39 ARG HGx 1.0 0.0 4.16 68 63 A 37 TYR HA A 40 GLU H 1.0 0.0 4.24 69 64 A 42 LEU HB3 A 43 ALA H 1.0 0.0 3.55 70 65 A 43 ALA H A 44 MET H 1.0 0.0 3.44 71 66 A 44 MET H A 44 MET HB2 1.0 0.0 3.04 72 66 A 44 MET H A 44 MET HB3 1.0 0.0 3.04 73 67 A 44 MET H A 43 ALA HB% 1.0 0.0 3.36 74 68 A 43 ALA H A 45 ARG H 1.0 0.0 4.88 75 69 A 46 THR HG2% A 45 ARG H 1.0 0.0 5.15 76 70 A 43 ALA HA A 46 THR H 1.0 0.0 4.55 77 71 A 47 ASP H A 47 ASP HBy 1.0 0.0 4.36 78 72 A 47 ASP H A 47 ASP HBx 1.0 0.0 4.36 79 73 A 48 LEU HD2% A 48 LEU H 1.0 0.0 4.92 80 74 A 48 LEU H A 53 VAL HG2% 1.0 0.0 4.89 81 75 A 52 ARG H A 49 THR H 1.0 0.0 4.80 82 76 A 48 LEU HD2% A 49 THR H 1.0 0.0 4.14 83 77 A 51 ALA HB% A 51 ALA H 1.0 0.0 3.16 84 78 A 52 ARG H A 54 GLN H 1.0 0.0 4.73 85 79 A 54 GLN H A 53 VAL H 1.0 0.0 3.45 86 80 A 53 VAL H A 53 VAL HB 1.0 0.0 3.26 87 81 A 53 VAL H A 48 LEU HB3 1.0 0.0 4.51 88 82 A 54 GLN H A 51 ALA HA 1.0 0.0 4.22 89 83 A 54 GLN H A 55 VAL H 1.0 0.0 3.59 90 84 A 55 VAL H A 54 GLN HB2 1.0 0.0 3.16 91 84 A 55 VAL H A 54 GLN HB3 1.0 0.0 3.16 92 85 A 55 VAL H A 55 VAL HB 1.0 0.0 3.38 93 86 A 56 TRP H A 56 TRP HD1 1.0 0.0 4.86 94 87 A 55 VAL HB A 56 TRP H 1.0 0.0 3.59 95 88 A 57 PHE H A 57 PHE HD% 1.0 0.0 3.82 96 89 A 57 PHE H A 56 TRP HE3 1.0 0.0 4.44 97 90 A 57 PHE H A 54 GLN HA 1.0 0.0 4.45 98 91 A 57 PHE H A 53 VAL HG1% 1.0 0.0 4.46 99 92 A 57 PHE H A 58 GLN H 1.0 0.0 3.64 100 93 A 55 VAL HG1% A 59 ASN HD2y 1.0 0.0 4.68 101 94 A 57 PHE H A 59 ASN H 1.0 0.0 4.67 102 95 A 55 VAL HG1% A 59 ASN H 1.0 0.0 4.59 103 96 A 55 VAL HG1% A 59 ASN HD2x 1.0 0.0 4.68 104 97 A 57 PHE HA A 60 ARG H 1.0 0.0 4.27 105 98 A 60 ARG H A 60 ARG HB3 1.0 0.0 3.82 106 99 A 60 ARG H A 60 ARG HB2 1.0 0.0 3.84 107 100 A 61 ARG H A 61 ARG HBy 1.0 0.0 4.41 108 101 A 61 ARG H A 61 ARG HGy 1.0 0.0 4.67 109 102 A 61 ARG H A 61 ARG HBx 1.0 0.0 4.41 110 103 A 60 ARG HB3 A 61 ARG H 1.0 0.0 4.16 111 104 A 60 ARG HB2 A 61 ARG H 1.0 0.0 4.58 112 105 A 62 ALA H A 64 TRP H 1.0 0.0 4.87 113 106 A 62 ALA H A 62 ALA HB% 1.0 0.0 2.97 114 107 A 64 TRP H A 61 ARG HA 1.0 0.0 4.54 115 108 A 64 TRP H A 64 TRP HBy 1.0 0.0 3.74 116 109 A 64 TRP H A 64 TRP HBx 1.0 0.0 3.74 117 110 A 64 TRP H A 63 LYS HB2 1.0 0.0 3.77 118 110 A 64 TRP H A 63 LYS HB3 1.0 0.0 3.77 119 111 A 63 LYS H A 65 ARG H 1.0 0.0 5.39 120 112 A 65 ARG H A 66 LYS H 1.0 0.0 5.57 121 113 A 67 ARG H A 67 ARG HB2 1.0 0.0 4.27 122 113 A 67 ARG H A 67 ARG HB3 1.0 0.0 4.27 123 114 A 67 ARG H A 67 ARG HG2 1.0 0.0 4.85 124 114 A 67 ARG H A 67 ARG HG3 1.0 0.0 4.85 125 115 A 53 VAL H A 52 ARG HBx 1.0 0.0 4.28 126 116 A 53 VAL HG2% A 53 VAL H 1.0 0.0 3.24 127 117 A 17 THR H A 16 PHE HA 1.0 0.0 3.26 128 118 A 17 THR H A 16 PHE HB2 1.0 0.0 4.62 129 119 A 17 THR H A 20 GLN HB2 1.0 0.0 3.76 130 120 A 20 GLN HE2y A 48 LEU HG 1.0 0.0 4.61 131 121 A 17 THR H A 20 GLN H 1.0 0.0 4.48 132 122 A 19 TYR HBy A 20 GLN H 1.0 0.0 4.81 133 123 A 19 TYR HBx A 20 GLN H 1.0 0.0 4.81 134 124 A 20 GLN H A 20 GLN HB2 1.0 0.0 3.58 135 125 A 16 PHE HB3 A 21 LEU H 1.0 0.0 4.87 136 126 A 21 LEU H A 20 GLN HB2 1.0 0.0 3.86 137 127 A 21 LEU H A 21 LEU HB2 1.0 0.0 3.34 138 128 A 21 LEU H A 21 LEU HG 1.0 0.0 3.39 139 129 A 21 LEU H A 21 LEU HB3 1.0 0.0 3.83 140 130 A 21 LEU H A 21 LEU HD1% 1.0 0.0 4.34 141 131 A 21 LEU H A 21 LEU HD2% 1.0 0.0 4.35 142 132 A 21 LEU H A 24 LEU HD1% 1.0 0.0 4.80 143 133 A 22 GLU H A 22 GLU HGy 1.0 0.0 4.40 144 134 A 22 GLU H A 22 GLU HBy 1.0 0.0 3.95 145 135 A 22 GLU H A 22 GLU HGx 1.0 0.0 4.40 146 136 A 22 GLU H A 22 GLU HBx 1.0 0.0 3.95 147 137 A 22 GLU H A 21 LEU HB2 1.0 0.0 3.65 148 138 A 22 GLU H A 23 GLU H 1.0 0.0 3.37 149 139 A 23 GLU H A 24 LEU H 1.0 0.0 3.58 150 140 A 23 GLU H A 22 GLU HBy 1.0 0.0 3.96 151 141 A 23 GLU H A 22 GLU HBx 1.0 0.0 3.96 152 142 A 23 GLU H A 23 GLU HBy 1.0 0.0 3.69 153 143 A 23 GLU H A 23 GLU HBx 1.0 0.0 3.69 154 144 A 24 LEU H A 21 LEU HA 1.0 0.0 4.37 155 145 A 24 LEU H A 23 GLU HBy 1.0 0.0 4.30 156 146 A 24 LEU H A 23 GLU HBx 1.0 0.0 4.30 157 147 A 24 LEU H A 24 LEU HD1% 1.0 0.0 4.15 158 148 A 24 LEU H A 24 LEU HB3 1.0 0.0 4.07 159 149 A 24 LEU H A 25 GLU H 1.0 0.0 3.50 160 150 A 25 GLU H A 25 GLU HGy 1.0 0.0 4.19 161 151 A 25 GLU H A 25 GLU HGx 1.0 0.0 4.19 162 152 A 25 GLU H A 25 GLU HBy 1.0 0.0 3.55 163 153 A 25 GLU H A 25 GLU HBx 1.0 0.0 3.55 164 154 A 25 GLU H A 24 LEU HB3 1.0 0.0 4.20 165 155 A 22 GLU HA A 26 LYS H 1.0 0.0 4.78 166 156 A 26 LYS H A 23 GLU HA 1.0 0.0 4.09 167 157 A 26 LYS H A 25 GLU HBy 1.0 0.0 4.13 168 158 A 26 LYS H A 25 GLU HBx 1.0 0.0 4.13 169 159 A 26 LYS H A 26 LYS HBy 1.0 0.0 4.30 170 160 A 26 LYS H A 26 LYS HBx 1.0 0.0 4.30 171 161 A 26 LYS H A 27 VAL H 1.0 0.0 3.53 172 162 A 27 VAL H A 26 LYS HBy 1.0 0.0 3.99 173 163 A 27 VAL H A 26 LYS HBx 1.0 0.0 3.99 174 164 A 27 VAL H A 27 VAL HG2% 1.0 0.0 3.24 175 165 A 27 VAL H A 27 VAL HG1% 1.0 0.0 4.16 176 166 A 27 VAL H A 42 LEU HD1% 1.0 0.0 4.83 177 167 A 28 PHE H A 57 PHE HE% 1.0 0.0 4.60 178 168 A 28 PHE H A 28 PHE HB3 1.0 0.0 3.65 179 169 A 28 PHE H A 28 PHE HB2 1.0 0.0 3.64 180 170 A 28 PHE H A 27 VAL HG2% 1.0 0.0 4.61 181 171 A 28 PHE H A 27 VAL HG1% 1.0 0.0 4.28 182 172 A 29 GLN HE21 A 28 PHE HD% 1.0 0.0 4.46 183 173 A 28 PHE H A 29 GLN H 1.0 0.0 3.64 184 174 A 29 GLN H A 25 GLU HA 1.0 0.0 4.66 185 175 A 29 GLN H A 26 LYS HA 1.0 0.0 4.12 186 176 A 29 GLN H A 29 GLN HBy 1.0 0.0 3.70 187 177 A 29 GLN H A 29 GLN HBx 1.0 0.0 3.70 188 178 A 30 LYS H A 27 VAL HA 1.0 0.0 3.99 189 179 A 66 LYS H A 65 ARG HBy 1.0 0.0 4.92 190 180 A 66 LYS H A 65 ARG HBx 1.0 0.0 4.92 191 181 A 63 LYS H A 63 LYS HB2 1.0 0.0 3.27 192 181 A 63 LYS HB3 A 63 LYS H 1.0 0.0 3.27 193 182 A 62 ALA HB% A 63 LYS H 1.0 0.0 3.51 194 183 A 31 THR H A 30 LYS HBy 1.0 0.0 3.84 195 184 A 31 THR H A 30 LYS HBx 1.0 0.0 3.84 196 185 A 33 TYR H A 32 HIS H 1.0 0.0 4.18 197 186 A 33 TYR H A 31 THR HA 1.0 0.0 4.43 198 187 A 33 TYR H A 31 THR HB 1.0 0.0 4.87 199 188 A 33 TYR H A 34 PRO HDy 1.0 0.0 4.83 200 189 A 33 TYR H A 33 TYR HBy 1.0 0.0 4.34 201 190 A 33 TYR H A 34 PRO HDx 1.0 0.0 4.83 202 191 A 33 TYR H A 33 TYR HBx 1.0 0.0 4.34 203 192 A 35 ASP H A 34 PRO HA 1.0 0.0 2.99 204 193 A 36 VAL H A 35 ASP HBy 1.0 0.0 3.86 205 194 A 36 VAL H A 36 VAL HG1% 1.0 0.0 3.44 206 195 A 37 TYR H A 38 ALA H 1.0 0.0 3.35 207 196 A 36 VAL H A 37 TYR H 1.0 0.0 3.85 208 197 A 37 TYR H A 36 VAL HG1% 1.0 0.0 3.38 209 198 A 39 ARG H A 38 ALA H 1.0 0.0 3.38 210 199 A 39 ARG H A 39 ARG HGy 1.0 0.0 4.16 211 200 A 39 ARG H A 39 ARG HB3 1.0 0.0 4.16 212 201 A 38 ALA HB% A 39 ARG H 1.0 0.0 3.51 213 202 A 39 ARG HB2 A 40 GLU H 1.0 0.0 3.23 214 203 A 40 GLU H A 39 ARG HB3 1.0 0.0 4.62 215 204 A 40 GLU H A 41 GLN H 1.0 0.0 3.37 216 205 A 37 TYR HA A 41 GLN H 1.0 0.0 4.77 217 206 A 41 GLN H A 38 ALA HA 1.0 0.0 4.02 218 207 A 41 GLN H A 40 GLU HBx 1.0 0.0 3.78 219 208 A 41 GLN H A 42 LEU H 1.0 0.0 3.41 220 209 A 42 LEU H A 39 ARG HA 1.0 0.0 4.28 221 210 A 42 LEU H A 42 LEU HB2 1.0 0.0 3.59 222 211 A 42 LEU HB3 A 42 LEU H 1.0 0.0 3.71 223 212 A 42 LEU H A 42 LEU HG 1.0 0.0 4.57 224 213 A 38 ALA HB% A 42 LEU H 1.0 0.0 5.51 225 214 A 43 ALA HB% A 42 LEU H 1.0 0.0 5.78 226 215 A 42 LEU H A 42 LEU HD2% 1.0 0.0 4.34 227 216 A 42 LEU HD1% A 42 LEU H 1.0 0.0 4.57 228 217 A 43 ALA H A 42 LEU H 1.0 0.0 3.40 229 218 A 43 ALA H A 40 GLU HA 1.0 0.0 4.11 230 219 A 43 ALA H A 39 ARG HA 1.0 0.0 4.71 231 220 A 43 ALA H A 43 ALA HB% 1.0 0.0 3.04 232 221 A 43 ALA H A 53 VAL HG1% 1.0 0.0 4.71 233 222 A 43 ALA H A 42 LEU HD2% 1.0 0.0 4.96 234 223 A 43 ALA H A 53 VAL HG2% 1.0 0.0 5.40 235 224 A 44 MET H A 41 GLN HA 1.0 0.0 3.90 236 225 A 44 MET H A 44 MET HGy 1.0 0.0 4.49 237 226 A 44 MET H A 44 MET HGx 1.0 0.0 4.49 238 227 A 45 ARG H A 46 THR HG1 1.0 0.0 4.88 239 228 A 45 ARG H A 42 LEU HA 1.0 0.0 4.14 240 229 A 45 ARG H A 44 MET HB2 1.0 0.0 3.53 241 229 A 44 MET HB3 A 45 ARG H 1.0 0.0 3.53 242 230 A 45 ARG H A 45 ARG HBy 1.0 0.0 3.69 243 231 A 45 ARG H A 45 ARG HBx 1.0 0.0 3.69 244 232 A 45 ARG H A 45 ARG HG2 1.0 0.0 3.43 245 232 A 45 ARG H A 45 ARG HG3 1.0 0.0 3.43 246 233 A 46 THR H A 48 LEU H 1.0 0.0 4.24 247 234 A 45 ARG H A 46 THR H 1.0 0.0 3.36 248 235 A 46 THR HB A 46 THR H 1.0 0.0 4.26 249 236 A 46 THR H A 46 THR HG1 1.0 0.0 3.19 250 237 A 46 THR H A 45 ARG HBy 1.0 0.0 4.61 251 238 A 46 THR H A 45 ARG HBx 1.0 0.0 4.61 252 239 A 46 THR H A 45 ARG HG2 1.0 0.0 4.55 253 239 A 46 THR H A 45 ARG HG3 1.0 0.0 4.55 254 240 A 46 THR HG2% A 46 THR H 1.0 0.0 3.65 255 241 A 46 THR H A 42 LEU HD1% 1.0 0.0 4.61 256 242 A 47 ASP H A 48 LEU H 1.0 0.0 3.38 257 243 A 46 THR H A 47 ASP H 1.0 0.0 3.26 258 244 A 47 ASP H A 47 ASP HA 1.0 0.0 2.91 259 245 A 46 THR HB A 47 ASP H 1.0 0.0 4.43 260 246 A 47 ASP H A 46 THR HG1 1.0 0.0 4.28 261 247 A 48 LEU H A 47 ASP HA 1.0 0.0 3.43 262 248 A 46 THR HB A 48 LEU H 1.0 0.0 4.77 263 249 A 48 LEU H A 46 THR HG1 1.0 0.0 4.45 264 250 A 43 ALA HA A 48 LEU H 1.0 0.0 3.81 265 251 A 48 LEU H A 48 LEU HB2 1.0 0.0 3.46 266 252 A 48 LEU H A 48 LEU HB3 1.0 0.0 3.98 267 253 A 48 LEU H A 48 LEU HD1% 1.0 0.0 4.45 268 254 A 49 THR H A 48 LEU HA 1.0 0.0 3.53 269 255 A 49 THR H A 52 ARG HBy 1.0 0.0 4.37 270 256 A 49 THR H A 52 ARG HBx 1.0 0.0 4.37 271 257 A 49 THR H A 48 LEU HB2 1.0 0.0 4.12 272 258 A 49 THR H A 48 LEU HB3 1.0 0.0 3.33 273 259 A 49 THR H A 48 LEU HD1% 1.0 0.0 4.96 274 260 A 51 ALA H A 49 THR HB 1.0 0.0 3.89 275 261 A 51 ALA H A 50 GLU HBy 1.0 0.0 4.35 276 262 A 51 ALA H A 50 GLU HBx 1.0 0.0 4.35 277 263 A 52 ARG H A 51 ALA H 1.0 0.0 3.98 278 264 A 52 ARG H A 53 VAL H 1.0 0.0 3.33 279 265 A 52 ARG H A 49 THR HB 1.0 0.0 4.54 280 266 A 52 ARG H A 50 GLU HA 1.0 0.0 4.84 281 267 A 52 ARG H A 52 ARG HBy 1.0 0.0 3.77 282 268 A 52 ARG H A 52 ARG HBx 1.0 0.0 3.77 283 269 A 52 ARG H A 49 THR HG2% 1.0 0.0 4.55 284 270 A 52 ARG H A 53 VAL HG2% 1.0 0.0 4.74 285 271 A 53 VAL H A 52 ARG HBy 1.0 0.0 4.28 286 272 A 53 VAL H A 53 VAL HG1% 1.0 0.0 4.00 287 273 A 54 GLN H A 53 VAL HB 1.0 0.0 3.46 288 274 A 54 GLN H A 54 GLN HB2 1.0 0.0 3.12 289 274 A 54 GLN H A 54 GLN HB3 1.0 0.0 3.12 290 275 A 54 GLN H A 53 VAL HG1% 1.0 0.0 4.14 291 276 A 53 VAL HG2% A 54 GLN H 1.0 0.0 4.35 292 277 A 55 VAL H A 56 TRP H 1.0 0.0 3.57 293 278 A 53 VAL H A 55 VAL H 1.0 0.0 5.51 294 279 A 68 GLU H A 69 ARG H 1.0 0.0 5.70 295 280 A 55 VAL H A 52 ARG HA 1.0 0.0 4.01 296 281 A 55 VAL H A 55 VAL HG2% 1.0 0.0 3.19 297 282 A 55 VAL H A 55 VAL HG1% 1.0 0.0 3.92 298 283 A 21 LEU HD1% A 56 TRP HE1 1.0 0.0 4.53 299 284 A 21 LEU HD2% A 56 TRP HE1 1.0 0.0 3.27 300 285 A 24 LEU HD1% A 56 TRP HE1 1.0 0.0 4.08 301 286 A 56 TRP H A 57 PHE H 1.0 0.0 3.68 302 287 A 56 TRP H A 53 VAL HA 1.0 0.0 4.38 303 288 A 56 TRP H A 56 TRP HB3 1.0 0.0 3.56 304 289 A 56 TRP H A 56 TRP HB2 1.0 0.0 3.46 305 290 A 56 TRP H A 55 VAL HG2% 1.0 0.0 4.55 306 291 A 56 TRP H A 55 VAL HG1% 1.0 0.0 3.92 307 292 A 57 PHE H A 56 TRP HB3 1.0 0.0 3.81 308 293 A 57 PHE H A 57 PHE HB2 1.0 0.0 3.52 309 294 A 57 PHE H A 56 TRP HB2 1.0 0.0 4.03 310 295 A 57 PHE H A 57 PHE HB3 1.0 0.0 4.35 311 296 A 58 GLN H A 55 VAL HA 1.0 0.0 4.03 312 297 A 58 GLN H A 57 PHE HB2 1.0 0.0 4.47 313 298 A 58 GLN H A 57 PHE HB3 1.0 0.0 4.90 314 299 A 58 GLN H A 58 GLN HGy 1.0 0.0 4.08 315 300 A 58 GLN H A 58 GLN HGx 1.0 0.0 4.08 316 301 A 58 GLN H A 58 GLN HBy 1.0 0.0 3.61 317 302 A 58 GLN H A 58 GLN HBx 1.0 0.0 3.61 318 303 A 59 ASN H A 60 ARG H 1.0 0.0 3.53 319 304 A 58 GLN H A 59 ASN H 1.0 0.0 3.30 320 305 A 59 ASN H A 56 TRP HA 1.0 0.0 4.41 321 306 A 59 ASN H A 59 ASN HBy 1.0 0.0 3.66 322 307 A 59 ASN H A 59 ASN HBx 1.0 0.0 3.66 323 308 A 59 ASN H A 58 GLN HBy 1.0 0.0 3.72 324 309 A 59 ASN H A 58 GLN HBx 1.0 0.0 3.72 325 310 A 60 ARG H A 59 ASN HBy 1.0 0.0 4.34 326 311 A 60 ARG H A 59 ASN HBx 1.0 0.0 4.34 327 312 A 60 ARG H A 61 ARG H 1.0 0.0 3.63 328 313 A 61 ARG H A 28 PHE HE% 1.0 0.0 4.91 329 314 A 57 PHE HA A 61 ARG H 1.0 0.0 4.65 330 315 A 61 ARG H A 61 ARG HGx 1.0 0.0 4.67 331 316 A 60 ARG H A 62 ALA H 1.0 0.0 4.77 332 317 A 61 ARG H A 62 ALA H 1.0 0.0 3.64 333 318 A 62 ALA H A 63 LYS H 1.0 0.0 3.60 334 319 A 62 ALA H A 59 ASN HA 1.0 0.0 4.09 335 320 A 62 ALA H A 61 ARG HBy 1.0 0.0 4.71 336 321 A 62 ALA H A 61 ARG HBx 1.0 0.0 4.71 337 322 A 64 TRP H A 63 LYS H 1.0 0.0 3.89 338 323 A 59 ASN H A 55 VAL HA 1.0 0.0 5.15 339 324 A 61 ARG H A 62 ALA HB% 1.0 0.0 4.76 340 325 A 65 ARG H A 64 TRP HBy 1.0 0.0 5.17 341 326 A 65 ARG H A 64 TRP HBx 1.0 0.0 5.17 342 327 A 25 GLU H A 24 LEU HD1% 1.0 0.0 4.96 343 328 A 24 LEU HG A 25 GLU H 1.0 0.0 5.10 344 329 A 46 THR HB A 20 GLN HE2x 1.0 0.0 4.85 345 330 A 64 TRP H A 65 ARG H 1.0 0.0 4.21 346 331 A 37 TYR H A 37 TYR HD% 1.0 0.0 4.35 347 332 A 65 ARG H A 62 ALA HA 1.0 0.0 4.85 348 333 A 40 GLU H A 43 ALA HB% 1.0 0.0 4.99 349 334 A 28 PHE H A 57 PHE HZ 1.0 0.0 4.25 350 335 A 64 TRP H A 28 PHE HZ 1.0 0.0 5.12 351 336 A 17 THR H A 16 PHE HD% 1.0 0.0 4.98 352 337 A 56 TRP HE1 A 16 PHE HE% 1.0 0.0 4.90 353 338 A 17 THR HG2% A 20 GLN H 1.0 0.0 5.08 354 339 A 46 THR HG2% A 24 LEU H 1.0 0.0 4.21 355 340 A 41 GLN H A 41 GLN HGy 1.0 0.0 3.55 356 341 A 41 GLN H A 41 GLN HGx 1.0 0.0 3.55 357 342 A 41 GLN H A 40 GLU HBy 1.0 0.0 3.78 358 343 A 41 GLN HE2y A 41 GLN HBy 1.0 0.0 5.78 359 344 A 41 GLN HE2y A 41 GLN HBx 1.0 0.0 5.78 360 345 A 41 GLN HE2x A 41 GLN HBy 1.0 0.0 5.78 361 346 A 41 GLN HE2x A 41 GLN HBx 1.0 0.0 5.78 362 347 A 43 ALA H A 42 LEU HG 1.0 0.0 4.60 363 348 A 48 LEU HG A 48 LEU H 1.0 0.0 3.86 364 349 A 51 ALA H A 49 THR HG2% 1.0 0.0 4.59 365 350 A 23 GLU H A 24 LEU HG 1.0 0.0 5.17 366 351 A 30 LYS H A 30 LYS HD2 1.0 0.0 5.54 367 351 A 30 LYS H A 30 LYS HD3 1.0 0.0 5.54 368 352 A 66 LYS H A 66 LYS HD2 1.0 0.0 5.78 369 352 A 66 LYS H A 66 LYS HD3 1.0 0.0 5.78 370 353 A 16 PHE HB3 A 21 LEU HB2 1.0 0.0 5.78 371 354 A 16 PHE HB3 A 21 LEU HG 1.0 0.0 5.78 372 355 A 49 THR H A 49 THR HG2% 1.0 0.0 5.51 373 356 A 17 THR HG2% A 16 PHE HA 1.0 0.0 5.78 374 357 A 20 GLN HA A 24 LEU H 1.0 0.0 5.78 375 358 A 46 THR HB A 20 GLN HA 1.0 0.0 5.78 376 359 A 46 THR HB A 20 GLN HGx 1.0 0.0 5.78 377 360 A 20 GLN HB3 A 21 LEU H 1.0 0.0 5.78 378 361 A 46 THR HB A 48 LEU HG 1.0 0.0 5.78 379 362 A 20 GLN HB3 A 48 LEU HD1% 1.0 0.0 5.78 380 363 A 46 THR HB A 20 GLN HGy 1.0 0.0 5.78 381 364 A 21 LEU HD1% A 16 PHE HD% 1.0 0.0 5.78 382 365 A 18 SER HA A 21 LEU HD1% 1.0 0.0 5.72 383 366 A 21 LEU HA A 21 LEU HD1% 1.0 0.0 5.78 384 367 A 16 PHE HB3 A 21 LEU HD1% 1.0 0.0 5.78 385 368 A 16 PHE HB2 A 21 LEU HD1% 1.0 0.0 5.78 386 369 A 21 LEU HD2% A 16 PHE HD% 1.0 0.0 5.78 387 370 A 21 LEU HA A 21 LEU HD2% 1.0 0.0 4.67 388 371 A 16 PHE HB3 A 21 LEU HD2% 1.0 0.0 5.78 389 372 A 16 PHE HB2 A 21 LEU HD2% 1.0 0.0 5.59 390 373 A 18 SER HA A 21 LEU HB3 1.0 0.0 5.78 391 374 A 16 PHE HB2 A 21 LEU HG 1.0 0.0 5.78 392 375 A 23 GLU HA A 26 LYS HBy 1.0 0.0 5.78 393 376 A 66 LYS HA A 66 LYS HD2 1.0 0.0 5.78 394 376 A 66 LYS HD3 A 66 LYS HA 1.0 0.0 5.78 395 377 A 63 LYS HA A 63 LYS HDy 1.0 0.0 5.78 396 378 A 46 THR HG2% A 23 GLU HGx 1.0 0.0 5.78 397 379 A 21 LEU HA A 24 LEU HD1% 1.0 0.0 5.27 398 380 A 16 PHE HB3 A 24 LEU HD1% 1.0 0.0 5.78 399 381 A 24 LEU HD1% A 56 TRP HB2 1.0 0.0 5.78 400 382 A 20 GLN HB3 A 24 LEU HD1% 1.0 0.0 5.78 401 383 A 21 LEU HD2% A 24 LEU HD1% 1.0 0.0 5.11 402 384 A 24 LEU HB2 A 21 LEU HA 1.0 0.0 5.78 403 385 A 24 LEU H A 24 LEU HD2% 1.0 0.0 5.78 404 386 A 53 VAL HA A 24 LEU HD2% 1.0 0.0 5.74 405 387 A 24 LEU HA A 24 LEU HD2% 1.0 0.0 4.82 406 388 A 42 LEU HD2% A 24 LEU HD2% 1.0 0.0 4.55 407 389 A 48 LEU HD1% A 24 LEU HD2% 1.0 0.0 5.43 408 390 A 24 LEU HG A 48 LEU HD1% 1.0 0.0 5.78 409 391 A 25 GLU HA A 28 PHE HB3 1.0 0.0 5.71 410 392 A 23 GLU HA A 26 LYS HDx 1.0 0.0 5.78 411 393 A 23 GLU HA A 26 LYS HBx 1.0 0.0 5.78 412 394 A 24 LEU HA A 27 VAL HG2% 1.0 0.0 5.78 413 395 A 27 VAL HG2% A 30 LYS HD2 1.0 0.0 5.78 414 395 A 27 VAL HG2% A 30 LYS HD3 1.0 0.0 5.78 415 396 A 27 VAL HG2% A 42 LEU HG 1.0 0.0 5.78 416 397 A 31 THR H A 27 VAL HG1% 1.0 0.0 5.78 417 398 A 27 VAL HG1% A 31 THR HA 1.0 0.0 5.78 418 399 A 27 VAL HG1% A 34 PRO HA 1.0 0.0 5.78 419 400 A 27 VAL HG1% A 34 PRO HB2 1.0 0.0 5.51 420 400 A 27 VAL HG1% A 34 PRO HB3 1.0 0.0 5.51 421 401 A 27 VAL HB A 57 PHE HE% 1.0 0.0 5.78 422 402 A 27 VAL HB A 24 LEU HA 1.0 0.0 5.78 423 403 A 29 GLN H A 28 PHE HB2 1.0 0.0 5.78 424 404 A 25 GLU HA A 28 PHE HB2 1.0 0.0 5.78 425 405 A 26 LYS HA A 29 GLN HG2 1.0 0.0 5.78 426 405 A 29 GLN HG3 A 26 LYS HA 1.0 0.0 5.78 427 406 A 29 GLN HG3 A 25 GLU HGy 1.0 0.0 5.78 428 406 A 25 GLU HGy A 29 GLN HG2 1.0 0.0 5.78 429 407 A 29 GLN HG3 A 25 GLU HGx 1.0 0.0 5.78 430 407 A 25 GLU HGx A 29 GLN HG2 1.0 0.0 5.78 431 408 A 27 VAL HA A 30 LYS HE2 1.0 0.0 5.78 432 408 A 27 VAL HA A 30 LYS HE3 1.0 0.0 5.78 433 409 A 27 VAL HA A 30 LYS HBy 1.0 0.0 5.78 434 410 A 30 LYS H A 31 THR HG2% 1.0 0.0 5.78 435 411 A 31 THR HG2% A 28 PHE HA 1.0 0.0 5.78 436 412 A 31 THR HG2% A 34 PRO HA 1.0 0.0 4.94 437 413 A 31 THR HG2% A 30 LYS HBx 1.0 0.0 5.78 438 414 A 31 THR HG2% A 34 PRO HB2 1.0 0.0 5.58 439 414 A 31 THR HG2% A 34 PRO HB3 1.0 0.0 5.58 440 415 A 34 PRO HB3 A 39 ARG HGy 1.0 0.0 5.78 441 415 A 39 ARG HGy A 34 PRO HB2 1.0 0.0 5.78 442 416 A 57 PHE HD% A 34 PRO HDx 1.0 0.0 5.78 443 417 A 57 PHE HE% A 34 PRO HDx 1.0 0.0 5.78 444 418 A 38 ALA H A 36 VAL HA 1.0 0.0 5.78 445 419 A 36 VAL HG2% A 39 ARG H 1.0 0.0 5.78 446 420 A 36 VAL HG2% A 40 GLU H 1.0 0.0 5.78 447 421 A 36 VAL HG2% A 39 ARG HB2 1.0 0.0 5.78 448 422 A 36 VAL HG2% A 40 GLU HGx 1.0 0.0 5.78 449 423 A 37 TYR HA A 36 VAL HG1% 1.0 0.0 5.78 450 424 A 36 VAL HG1% A 37 TYR HB2 1.0 0.0 5.78 451 424 A 37 TYR HB3 A 36 VAL HG1% 1.0 0.0 5.78 452 425 A 36 VAL HA A 39 ARG HB2 1.0 0.0 5.78 453 426 A 39 ARG H A 39 ARG HDx 1.0 0.0 5.78 454 427 A 36 VAL HA A 39 ARG HB3 1.0 0.0 5.78 455 428 A 39 ARG H A 39 ARG HDy 1.0 0.0 5.78 456 429 A 53 VAL HG1% A 39 ARG HDy 1.0 0.0 5.78 457 430 A 37 TYR HA A 40 GLU HBy 1.0 0.0 5.78 458 431 A 37 TYR HA A 40 GLU HGx 1.0 0.0 5.78 459 432 A 37 TYR HA A 40 GLU HBx 1.0 0.0 5.78 460 433 A 36 VAL HG2% A 40 GLU HGy 1.0 0.0 5.78 461 434 A 38 ALA HA A 41 GLN HGx 1.0 0.0 5.78 462 435 A 46 THR HG2% A 42 LEU HA 1.0 0.0 5.78 463 436 A 24 LEU H A 42 LEU HD1% 1.0 0.0 5.78 464 437 A 45 ARG H A 42 LEU HD1% 1.0 0.0 5.78 465 438 A 42 LEU HD1% A 57 PHE HE% 1.0 0.0 5.78 466 439 A 42 LEU HD1% A 46 THR HG1 1.0 0.0 5.78 467 440 A 42 LEU HD1% A 42 LEU HA 1.0 0.0 5.06 468 441 A 27 VAL HA A 42 LEU HD1% 1.0 0.0 5.78 469 442 A 42 LEU HD1% A 39 ARG HA 1.0 0.0 5.78 470 443 A 23 GLU HA A 42 LEU HD1% 1.0 0.0 5.78 471 444 A 43 ALA HA A 42 LEU HD1% 1.0 0.0 5.78 472 445 A 24 LEU HA A 42 LEU HD1% 1.0 0.0 5.74 473 446 A 42 LEU HD1% A 24 LEU HD2% 1.0 0.0 5.38 474 447 A 43 ALA H A 42 LEU HB2 1.0 0.0 5.78 475 448 A 39 ARG HA A 42 LEU HB2 1.0 0.0 5.78 476 449 A 42 LEU HD2% A 42 LEU HA 1.0 0.0 5.78 477 450 A 39 ARG HA A 42 LEU HD2% 1.0 0.0 5.78 478 451 A 43 ALA HA A 42 LEU HD2% 1.0 0.0 5.78 479 452 A 42 LEU HD2% A 53 VAL HA 1.0 0.0 5.78 480 453 A 24 LEU HA A 42 LEU HD2% 1.0 0.0 5.54 481 454 A 27 VAL HB A 42 LEU HD2% 1.0 0.0 5.78 482 455 A 42 LEU HB3 A 39 ARG HA 1.0 0.0 5.78 483 456 A 42 LEU HB3 A 27 VAL HG2% 1.0 0.0 5.78 484 457 A 42 LEU HG A 24 LEU HD2% 1.0 0.0 5.78 485 458 A 43 ALA HB% A 53 VAL H 1.0 0.0 5.78 486 459 A 43 ALA HB% A 48 LEU H 1.0 0.0 5.78 487 460 A 43 ALA HB% A 49 THR HA 1.0 0.0 5.78 488 461 A 43 ALA HB% A 44 MET HA 1.0 0.0 5.78 489 462 A 43 ALA HB% A 40 GLU HA 1.0 0.0 5.04 490 463 A 43 ALA HB% A 53 VAL HB 1.0 0.0 5.78 491 464 A 43 ALA HB% A 44 MET HB2 1.0 0.0 5.78 492 464 A 44 MET HB3 A 43 ALA HB% 1.0 0.0 5.78 493 465 A 43 ALA HB% A 53 VAL HG2% 1.0 0.0 4.76 494 466 A 43 ALA HA A 47 ASP H 1.0 0.0 5.78 495 467 A 43 ALA HA A 46 THR HG1 1.0 0.0 5.51 496 468 A 43 ALA HA A 42 LEU HG 1.0 0.0 5.78 497 469 A 43 ALA HA A 53 VAL HG2% 1.0 0.0 5.52 498 470 A 41 GLN HA A 44 MET HB2 1.0 0.0 5.78 499 470 A 44 MET HB3 A 41 GLN HA 1.0 0.0 5.78 500 471 A 42 LEU HA A 45 ARG HG2 1.0 0.0 5.78 501 471 A 42 LEU HA A 45 ARG HG3 1.0 0.0 5.78 502 472 A 46 THR HG2% A 45 ARG HBy 1.0 0.0 5.78 503 473 A 46 THR HG2% A 47 ASP H 1.0 0.0 5.78 504 474 A 53 VAL HG2% A 50 GLU HA 1.0 0.0 5.15 505 475 A 20 GLN HA A 46 THR HG2% 1.0 0.0 5.62 506 476 A 46 THR HG2% A 45 ARG HBx 1.0 0.0 5.78 507 477 A 46 THR HG2% A 23 GLU HGy 1.0 0.0 5.78 508 478 A 46 THR HG2% A 45 ARG HG2 1.0 0.0 5.78 509 478 A 46 THR HG2% A 45 ARG HG3 1.0 0.0 5.78 510 479 A 46 THR HG2% A 23 GLU HBy 1.0 0.0 5.62 511 480 A 46 THR HG2% A 23 GLU HBx 1.0 0.0 5.62 512 481 A 53 VAL HG2% A 48 LEU HB3 1.0 0.0 5.44 513 482 A 53 VAL HG2% A 24 LEU HD2% 1.0 0.0 5.25 514 483 A 20 GLN HE2y A 47 ASP HBy 1.0 0.0 5.78 515 484 A 20 GLN HE2y A 47 ASP HBx 1.0 0.0 5.78 516 485 A 20 GLN HE2y A 48 LEU HD1% 1.0 0.0 5.78 517 486 A 46 THR HB A 48 LEU HD1% 1.0 0.0 5.78 518 487 A 46 THR HG1 A 48 LEU HD1% 1.0 0.0 5.78 519 488 A 43 ALA HA A 48 LEU HD1% 1.0 0.0 5.78 520 489 A 48 LEU HD1% A 53 VAL HA 1.0 0.0 5.78 521 490 A 24 LEU HD1% A 48 LEU HD1% 1.0 0.0 5.52 522 491 A 43 ALA HA A 48 LEU HB2 1.0 0.0 5.78 523 492 A 48 LEU HD2% A 48 LEU HA 1.0 0.0 4.63 524 493 A 48 LEU HD2% A 52 ARG HDx 1.0 0.0 5.78 525 494 A 48 LEU HD2% A 52 ARG HBx 1.0 0.0 5.78 526 495 A 48 LEU HD2% A 52 ARG HGx 1.0 0.0 5.78 527 496 A 48 LEU HD2% A 24 LEU HD1% 1.0 0.0 5.78 528 497 A 43 ALA HA A 48 LEU HB3 1.0 0.0 5.78 529 498 A 48 LEU HB3 A 53 VAL HA 1.0 0.0 5.78 530 499 A 53 VAL H A 50 GLU HA 1.0 0.0 5.78 531 500 A 53 VAL HB A 50 GLU HA 1.0 0.0 5.48 532 501 A 43 ALA HB% A 50 GLU HA 1.0 0.0 5.78 533 502 A 53 VAL HG1% A 50 GLU HA 1.0 0.0 5.78 534 503 A 38 ALA HB% A 34 PRO HA 1.0 0.0 5.78 535 504 A 51 ALA HB% A 52 ARG HA 1.0 0.0 5.78 536 505 A 51 ALA HA A 54 GLN HB2 1.0 0.0 5.43 537 505 A 51 ALA HA A 54 GLN HB3 1.0 0.0 5.43 538 506 A 55 VAL HB A 52 ARG HA 1.0 0.0 5.40 539 507 A 48 LEU HD2% A 52 ARG HGy 1.0 0.0 5.78 540 508 A 48 LEU HD2% A 52 ARG HBy 1.0 0.0 5.78 541 509 A 52 ARG HA A 52 ARG HDy 1.0 0.0 5.78 542 510 A 53 VAL HG2% A 49 THR H 1.0 0.0 5.78 543 511 A 53 VAL HG2% A 48 LEU HD1% 1.0 0.0 4.91 544 512 A 53 VAL HG1% A 39 ARG HA 1.0 0.0 5.78 545 513 A 53 VAL HG1% A 39 ARG HDx 1.0 0.0 5.78 546 514 A 43 ALA HB% A 53 VAL HG1% 1.0 0.0 5.78 547 515 A 53 VAL HG1% A 39 ARG HGx 1.0 0.0 5.78 548 516 A 53 VAL HG1% A 24 LEU HD2% 1.0 0.0 5.07 549 517 A 54 GLN H A 54 GLN HGx 1.0 0.0 5.78 550 518 A 54 GLN H A 54 GLN HGy 1.0 0.0 5.78 551 519 A 55 VAL HA A 58 GLN HBy 1.0 0.0 5.78 552 520 A 54 GLN H A 55 VAL HG2% 1.0 0.0 5.78 553 521 A 51 ALA HA A 55 VAL HG2% 1.0 0.0 5.78 554 522 A 51 ALA HB% A 55 VAL HG2% 1.0 0.0 5.78 555 523 A 55 VAL HG1% A 56 TRP HA 1.0 0.0 5.78 556 524 A 56 TRP HB3 A 24 LEU HD2% 1.0 0.0 5.78 557 525 A 57 PHE HD% A 57 PHE HA 1.0 0.0 5.78 558 526 A 56 TRP HA A 59 ASN HBy 1.0 0.0 5.78 559 527 A 56 TRP HA A 59 ASN HBx 1.0 0.0 5.78 560 528 A 62 ALA HB% A 60 ARG HA 1.0 0.0 5.78 561 529 A 57 PHE HA A 60 ARG HB3 1.0 0.0 5.78 562 530 A 60 ARG HA A 60 ARG HDx 1.0 0.0 5.78 563 531 A 60 ARG HA A 60 ARG HDy 1.0 0.0 5.78 564 532 A 62 ALA HB% A 59 ASN HA 1.0 0.0 5.04 565 533 A 60 ARG HA A 63 LYS HB2 1.0 0.0 5.78 566 533 A 63 LYS HB3 A 60 ARG HA 1.0 0.0 5.78 567 534 A 61 ARG HA A 64 TRP HBy 1.0 0.0 5.78 568 535 A 52 ARG HA A 52 ARG HDx 1.0 0.0 5.78 569 536 A 16 PHE HB3 A 17 THR HG2% 1.0 0.0 5.78 570 537 A 56 TRP HE3 A 24 LEU HD1% 1.0 0.0 5.78 571 538 A 24 LEU HD1% A 16 PHE HZ 1.0 0.0 5.78 572 539 A 24 LEU HD1% A 57 PHE HE% 1.0 0.0 5.78 573 540 A 53 VAL HB A 24 LEU HD2% 1.0 0.0 5.78 574 541 A 46 THR HB A 24 LEU HD2% 1.0 0.0 5.78 575 542 A 23 GLU HA A 26 LYS HDy 1.0 0.0 5.78 576 543 A 27 VAL HB A 42 LEU HD1% 1.0 0.0 5.78 577 544 A 27 VAL HG1% A 57 PHE HE% 1.0 0.0 5.78 578 545 A 27 VAL HG2% A 42 LEU HB2 1.0 0.0 5.78 579 546 A 26 LYS H A 27 VAL HG2% 1.0 0.0 5.78 580 547 A 31 THR HG2% A 30 LYS HBy 1.0 0.0 5.78 581 548 A 27 VAL HA A 31 THR HG2% 1.0 0.0 5.78 582 549 A 39 ARG HB2 A 36 VAL HG1% 1.0 0.0 5.78 583 550 A 36 VAL HG1% A 40 GLU HGx 1.0 0.0 5.78 584 551 A 36 VAL HG1% A 40 GLU HGy 1.0 0.0 5.78 585 552 A 39 ARG H A 36 VAL HG1% 1.0 0.0 5.78 586 553 A 40 GLU H A 36 VAL HG1% 1.0 0.0 5.78 587 554 A 64 TRP HE3 A 65 ARG HGx 1.0 0.0 5.78 588 555 A 61 ARG HA A 64 TRP HBx 1.0 0.0 5.78 589 556 A 43 ALA HB% A 46 THR HG1 1.0 0.0 5.78 590 557 A 42 LEU HD1% A 45 ARG HG2 1.0 0.0 5.78 591 557 A 42 LEU HD1% A 45 ARG HG3 1.0 0.0 5.78 592 558 A 28 PHE HB3 A 56 TRP HZ3 1.0 0.0 5.78 593 559 A 18 SER HA A 21 LEU HB2 1.0 0.0 5.78 594 560 A 21 LEU HA A 24 LEU HB3 1.0 0.0 5.78 595 561 A 21 LEU H A 16 PHE HB2 1.0 0.0 5.78 596 562 A 16 PHE HB3 A 20 GLN HB2 1.0 0.0 5.78 597 563 A 23 GLU HA A 26 LYS HE2 1.0 0.0 5.78 598 563 A 23 GLU HA A 26 LYS HE3 1.0 0.0 5.78 599 564 A 57 PHE HZ A 24 LEU HD2% 1.0 0.0 5.78 600 565 A 26 LYS HE3 A 26 LYS HBx 1.0 0.0 5.78 601 565 A 26 LYS HBx A 26 LYS HE2 1.0 0.0 5.78 602 566 A 26 LYS HE3 A 26 LYS HBy 1.0 0.0 5.78 603 566 A 26 LYS HBy A 26 LYS HE2 1.0 0.0 5.78 604 567 A 51 ALA HB% A 49 THR HB 1.0 0.0 5.78 605 568 A 52 ARG HA A 55 VAL HG2% 1.0 0.0 5.78 606 569 A 55 VAL HG1% A 52 ARG HA 1.0 0.0 5.78 607 570 A 53 VAL HG1% A 39 ARG HGy 1.0 0.0 5.78 608 571 A 42 LEU HB3 A 53 VAL HG1% 1.0 0.0 5.78 609 572 A 53 VAL HG1% A 39 ARG HB3 1.0 0.0 5.78 610 573 A 53 VAL HG1% A 42 LEU HG 1.0 0.0 5.78 611 574 A 54 GLN HA A 53 VAL HG1% 1.0 0.0 5.78 612 575 A 55 VAL HG2% A 54 GLN HB2 1.0 0.0 5.78 613 575 A 54 GLN HB3 A 55 VAL HG2% 1.0 0.0 5.78 614 576 A 53 VAL HG1% A 54 GLN HB2 1.0 0.0 5.78 615 576 A 54 GLN HB3 A 53 VAL HG1% 1.0 0.0 5.78 616 577 A 55 VAL HG1% A 54 GLN HB2 1.0 0.0 5.78 617 577 A 54 GLN HB3 A 55 VAL HG1% 1.0 0.0 5.78 618 578 A 60 ARG H A 56 TRP HA 1.0 0.0 5.78 619 579 A 62 ALA HB% A 63 LYS HA 1.0 0.0 5.78 620 580 A 63 LYS HA A 63 LYS HDx 1.0 0.0 5.78 621 581 A 63 LYS HB2 A 63 LYS HE2 1.0 0.0 5.78 622 581 A 63 LYS HB3 A 63 LYS HE2 1.0 0.0 5.78 623 581 A 63 LYS HE3 A 63 LYS HB2 1.0 0.0 5.78 624 581 A 63 LYS HB3 A 63 LYS HE3 1.0 0.0 5.78 625 582 A 20 GLN HE2x A 47 ASP HBx 1.0 0.0 5.78 626 583 A 20 GLN HE2x A 48 LEU HD1% 1.0 0.0 5.78 627 584 A 24 LEU HA A 24 LEU HD1% 1.0 0.0 5.78 628 585 A 30 LYS HA A 30 LYS HD2 1.0 0.0 5.78 629 585 A 30 LYS HD3 A 30 LYS HA 1.0 0.0 5.78 630 586 A 31 THR HG2% A 34 PRO HDx 1.0 0.0 5.78 631 587 A 31 THR HG2% A 34 PRO HDy 1.0 0.0 5.78 632 588 A 38 ALA HA A 41 GLN HGy 1.0 0.0 5.78 633 589 A 57 PHE HE% A 34 PRO HDy 1.0 0.0 5.78 634 590 A 57 PHE HD% A 34 PRO HDy 1.0 0.0 5.78 635 591 A 37 TYR HA A 40 GLU HGy 1.0 0.0 5.78 636 592 A 46 THR HG2% A 24 LEU HD1% 1.0 0.0 5.78 637 593 A 48 LEU HD2% A 52 ARG HDy 1.0 0.0 5.78 638 594 A 34 PRO HB3 A 39 ARG HGx 1.0 0.0 5.78 639 594 A 34 PRO HB2 A 39 ARG HGx 1.0 0.0 5.78 640 595 A 38 ALA HB% A 39 ARG HB2 1.0 0.0 5.78 641 596 A 51 ALA HB% A 54 GLN HB2 1.0 0.0 5.78 642 596 A 51 ALA HB% A 54 GLN HB3 1.0 0.0 5.78 643 597 A 53 VAL HA A 56 TRP HB3 1.0 0.0 5.78 644 598 A 53 VAL HA A 56 TRP HB2 1.0 0.0 5.78 645 599 A 53 VAL HG2% A 48 LEU HB2 1.0 0.0 5.65 646 600 A 42 LEU HB3 A 53 VAL HG2% 1.0 0.0 5.78 647 601 A 53 VAL HG1% A 57 PHE HZ 1.0 0.0 5.78 648 602 A 51 ALA HA A 54 GLN HGy 1.0 0.0 5.78 649 603 A 51 ALA HA A 54 GLN HGx 1.0 0.0 5.78 650 604 A 55 VAL HA A 58 GLN HGy 1.0 0.0 5.78 651 605 A 55 VAL HA A 58 GLN HBx 1.0 0.0 5.78 652 606 A 56 TRP HB2 A 24 LEU HD2% 1.0 0.0 5.78 653 607 A 24 LEU HD1% A 56 TRP HB3 1.0 0.0 5.78 654 608 A 57 PHE HA A 60 ARG HB2 1.0 0.0 5.78 655 609 A 55 VAL HA A 58 GLN HGx 1.0 0.0 5.78 656 610 A 27 VAL HA A 30 LYS HBx 1.0 0.0 5.78 657 611 A 27 VAL HA A 30 LYS HD2 1.0 0.0 5.78 658 611 A 27 VAL HA A 30 LYS HD3 1.0 0.0 5.78 659 612 A 38 ALA H A 36 VAL HG1% 1.0 0.0 5.78 660 613 A 35 ASP HA A 36 VAL HG1% 1.0 0.0 5.78 661 614 A 39 ARG HA A 34 PRO HB2 1.0 0.0 5.78 662 614 A 39 ARG HA A 34 PRO HB3 1.0 0.0 5.78 663 615 A 39 ARG HA A 42 LEU HG 1.0 0.0 5.78 664 616 A 18 SER HA A 21 LEU HD2% 1.0 0.0 5.78 665 617 A 56 TRP HB2 A 16 PHE HE% 1.0 0.0 4.42 666 618 A 48 LEU HD2% A 16 PHE HE% 1.0 0.0 3.82 667 619 A 48 LEU HD1% A 16 PHE HE% 1.0 0.0 3.80 668 620 A 24 LEU HD1% A 16 PHE HE% 1.0 0.0 4.28 669 621 A 16 PHE HA A 16 PHE HD% 1.0 0.0 4.03 670 622 A 70 PHE HA A 70 PHE HD% 1.0 0.0 3.99 671 623 A 48 LEU HD2% A 16 PHE HD% 1.0 0.0 3.78 672 624 A 48 LEU HD1% A 16 PHE HD% 1.0 0.0 3.71 673 625 A 24 LEU HD1% A 16 PHE HD% 1.0 0.0 4.12 674 626 A 19 TYR HE% A 46 THR HA 1.0 0.0 3.36 675 627 A 37 TYR HA A 37 TYR HE% 1.0 0.0 4.82 676 628 A 37 TYR HE% A 41 GLN HGy 1.0 0.0 4.75 677 629 A 19 TYR HE% A 23 GLU HGx 1.0 0.0 4.29 678 630 A 46 THR HG2% A 19 TYR HE% 1.0 0.0 3.84 679 631 A 46 THR HA A 19 TYR HD% 1.0 0.0 4.37 680 632 A 57 PHE HD% A 28 PHE HE% 1.0 0.0 4.64 681 633 A 61 ARG HA A 28 PHE HE% 1.0 0.0 4.40 682 634 A 28 PHE HE% A 61 ARG HGy 1.0 0.0 4.11 683 635 A 28 PHE HE% A 61 ARG HGx 1.0 0.0 4.11 684 636 A 28 PHE H A 28 PHE HD% 1.0 0.0 4.58 685 637 A 28 PHE HD% A 57 PHE HD% 1.0 0.0 4.01 686 638 A 28 PHE HD% A 57 PHE HE% 1.0 0.0 3.80 687 639 A 28 PHE HD% A 32 HIS HD2 1.0 0.0 5.47 688 640 A 28 PHE HD% A 28 PHE HA 1.0 0.0 4.15 689 641 A 28 PHE HD% A 32 HIS HA 1.0 0.0 4.18 690 642 A 61 ARG HA A 28 PHE HZ 1.0 0.0 4.21 691 643 A 28 PHE HZ A 64 TRP HBy 1.0 0.0 4.42 692 644 A 28 PHE HZ A 64 TRP HBx 1.0 0.0 4.42 693 645 A 33 TYR H A 33 TYR HD% 1.0 0.0 4.02 694 646 A 33 TYR HD% A 33 TYR HA 1.0 0.0 3.98 695 647 A 33 TYR HD% A 32 HIS HBx 1.0 0.0 4.50 696 648 A 19 TYR HE% A 23 GLU HGy 1.0 0.0 4.29 697 649 A 38 ALA H A 37 TYR HD% 1.0 0.0 4.15 698 650 A 37 TYR HA A 37 TYR HD% 1.0 0.0 3.30 699 651 A 38 ALA HA A 37 TYR HD% 1.0 0.0 4.35 700 652 A 36 VAL HG1% A 37 TYR HD% 1.0 0.0 4.11 701 653 A 28 PHE HB2 A 56 TRP HZ3 1.0 0.0 4.07 702 654 A 21 LEU HD2% A 56 TRP HZ2 1.0 0.0 4.05 703 655 A 56 TRP HD1 A 16 PHE HZ 1.0 0.0 4.04 704 656 A 56 TRP HD1 A 16 PHE HE% 1.0 0.0 3.93 705 657 A 56 TRP HD1 A 56 TRP HA 1.0 0.0 4.00 706 658 A 56 TRP HD1 A 56 TRP HB2 1.0 0.0 3.73 707 659 A 56 TRP HD1 A 21 LEU HD2% 1.0 0.0 4.07 708 660 A 56 TRP HD1 A 24 LEU HD1% 1.0 0.0 4.16 709 661 A 57 PHE HD% A 56 TRP HE3 1.0 0.0 4.33 710 662 A 56 TRP HE3 A 57 PHE HA 1.0 0.0 4.07 711 663 A 56 TRP HE3 A 56 TRP HB3 1.0 0.0 4.13 712 664 A 56 TRP HE3 A 28 PHE HB2 1.0 0.0 5.11 713 665 A 56 TRP HE3 A 24 LEU HD2% 1.0 0.0 4.14 714 666 A 25 GLU HA A 56 TRP HH2 1.0 0.0 3.64 715 667 A 28 PHE HB3 A 56 TRP HH2 1.0 0.0 4.55 716 668 A 28 PHE HB2 A 56 TRP HH2 1.0 0.0 4.30 717 669 A 53 VAL HG1% A 57 PHE HE% 1.0 0.0 3.90 718 670 A 64 TRP HE3 A 64 TRP HA 1.0 0.0 4.63 719 671 A 27 VAL HG1% A 57 PHE HZ 1.0 0.0 3.74 720 672 A 42 LEU HD2% A 57 PHE HZ 1.0 0.0 3.98 721 673 A 64 TRP HE3 A 65 ARG HA 1.0 0.0 4.14 722 674 A 56 TRP HB3 A 16 PHE HZ 1.0 0.0 4.82 723 675 A 64 TRP HE3 A 65 ARG HGy 1.0 0.0 5.78 724 676 A 57 PHE HD% A 32 HIS HA 1.0 0.0 5.50 725 677 A 57 PHE HD% A 54 GLN HA 1.0 0.0 5.76 726 678 A 57 PHE HD% A 24 LEU HD2% 1.0 0.0 4.86 727 679 A 27 VAL HG2% A 57 PHE HZ 1.0 0.0 4.48 728 680 A 21 LEU HD1% A 56 TRP HZ2 1.0 0.0 4.90 729 681 A 24 LEU HD1% A 56 TRP HZ2 1.0 0.0 4.83 730 682 A 28 PHE HZ A 60 ARG HGx 1.0 0.0 4.90 731 683 A 28 PHE HE% A 64 TRP HD1 1.0 0.0 4.19 732 684 A 28 PHE HZ A 60 ARG HGy 1.0 0.0 4.90 733 685 A 28 PHE HZ A 64 TRP HD1 1.0 0.0 4.45 734 686 A 24 LEU HD1% A 56 TRP HH2 1.0 0.0 5.38 735 687 A 24 LEU HB3 A 56 TRP HZ2 1.0 0.0 4.85 736 688 A 64 TRP HA A 64 TRP HD1 1.0 0.0 4.08 737 689 A 57 PHE HE% A 42 LEU HD2% 1.0 0.0 3.92 738 690 A 57 PHE HE% A 24 LEU HD2% 1.0 0.0 4.20 739 691 A 57 PHE HD% A 53 VAL HG1% 1.0 0.0 3.62 740 692 A 57 PHE HD% A 42 LEU HD2% 1.0 0.0 4.84 741 693 A 33 TYR HD% A 32 HIS HBy 1.0 0.0 4.50 742 694 A 56 TRP HB2 A 16 PHE HZ 1.0 0.0 4.14 743 695 A 57 PHE HE% A 28 PHE HB2 1.0 0.0 4.64 744 696 A 65 ARG HA A 64 TRP HZ3 1.0 0.0 4.86 745 697 A 27 VAL HB A 57 PHE HZ 1.0 0.0 3.81 746 698 A 24 LEU HB3 A 56 TRP HH2 1.0 0.0 4.92 747 699 A 57 PHE HE% A 56 TRP HZ3 1.0 0.0 4.77 748 700 A 56 TRP HE3 A 57 PHE HE% 1.0 0.0 5.02 749 701 A 38 ALA HB% A 37 TYR HD% 1.0 0.0 4.87 750 702 A 28 PHE HE% A 32 HIS HA 1.0 0.0 4.68 751 703 A 46 THR HG2% A 19 TYR HD% 1.0 0.0 4.98 752 704 A 32 HIS HD2 A 32 HIS HA 1.0 0.0 3.78 753 705 A 16 PHE HD% A 16 PHE H 1.0 0.0 4.89 754 706 A 56 TRP HE1 A 16 PHE HD% 1.0 0.0 4.87 755 707 A 19 TYR HA A 19 TYR HD% 1.0 0.0 3.40 756 708 A 20 GLN H A 19 TYR HD% 1.0 0.0 3.84 757 709 A 37 TYR HE% A 41 GLN HGx 1.0 0.0 4.75 758 710 A 25 GLU H A 56 TRP HZ2 1.0 0.0 4.73 759 711 A 57 PHE HE% A 28 PHE HA 1.0 0.0 4.17 760 712 A 57 PHE HD% A 28 PHE HA 1.0 0.0 4.85 761 713 A 37 TYR HD% A 41 GLN HGx 1.0 0.0 4.92 762 714 A 37 TYR HD% A 41 GLN HGy 1.0 0.0 4.92 763 715 A 57 PHE H A 57 PHE HE% 1.0 0.0 4.83 764 716 A 42 LEU HD1% A 57 PHE HZ 1.0 0.0 4.46 765 717 A 28 PHE H A 56 TRP HH2 1.0 0.0 4.91 766 718 A 16 PHE HZ A 52 ARG HBy 1.0 0.0 4.84 767 718 A 16 PHE HZ A 52 ARG HBx 1.0 0.0 4.84 768 719 A 16 PHE HZ A 52 ARG HGy 1.0 0.0 4.61 769 719 A 16 PHE HZ A 52 ARG HGx 1.0 0.0 4.61 770 720 A 17 THR H A 20 GLN HGy 1.0 0.0 5.05 771 720 A 17 THR H A 20 GLN HGx 1.0 0.0 5.05 772 721 A 17 THR HG2% A 20 GLN HGy 1.0 0.0 5.61 773 721 A 17 THR HG2% A 20 GLN HGx 1.0 0.0 5.61 774 722 A 17 THR HG2% A 20 GLN HE2y 1.0 0.0 4.99 775 722 A 17 THR HG2% A 20 GLN HE2x 1.0 0.0 4.99 776 723 A 19 TYR H A 18 SER HBy 1.0 0.0 4.44 777 723 A 19 TYR H A 18 SER HBx 1.0 0.0 4.44 778 724 A 19 TYR HA A 18 SER HBy 1.0 0.0 5.61 779 724 A 19 TYR HA A 18 SER HBx 1.0 0.0 5.61 780 725 A 21 LEU HD1% A 18 SER HBy 1.0 0.0 5.61 781 725 A 21 LEU HD1% A 18 SER HBx 1.0 0.0 5.61 782 726 A 19 TYR HA A 22 GLU HBy 1.0 0.0 5.23 783 726 A 19 TYR HA A 22 GLU HBx 1.0 0.0 5.23 784 727 A 19 TYR HA A 22 GLU HGy 1.0 0.0 5.61 785 727 A 19 TYR HA A 22 GLU HGx 1.0 0.0 5.61 786 728 A 19 TYR HD% A 23 GLU HGy 1.0 0.0 4.48 787 728 A 19 TYR HD% A 23 GLU HGx 1.0 0.0 4.48 788 729 A 20 GLN H A 20 GLN HGy 1.0 0.0 3.83 789 729 A 20 GLN H A 20 GLN HGx 1.0 0.0 3.83 790 730 A 20 GLN HE2y A 20 GLN HA 1.0 0.0 5.61 791 730 A 20 GLN HE2x A 20 GLN HA 1.0 0.0 5.61 792 731 A 20 GLN HE2x A 20 GLN HGy 1.0 0.0 3.37 793 731 A 20 GLN HE2y A 20 GLN HGx 1.0 0.0 3.37 794 731 A 20 GLN HE2x A 20 GLN HGx 1.0 0.0 3.37 795 731 A 20 GLN HE2y A 20 GLN HGy 1.0 0.0 3.37 796 732 A 21 LEU H A 20 GLN HGy 1.0 0.0 5.61 797 732 A 21 LEU H A 20 GLN HGx 1.0 0.0 5.61 798 733 A 46 THR HG2% A 20 GLN HGy 1.0 0.0 5.61 799 733 A 46 THR HG2% A 20 GLN HGx 1.0 0.0 5.61 800 734 A 48 LEU HD2% A 20 GLN HGy 1.0 0.0 5.61 801 734 A 48 LEU HD2% A 20 GLN HGx 1.0 0.0 5.61 802 735 A 20 GLN HE2y A 46 THR HB 1.0 0.0 4.21 803 735 A 46 THR HB A 20 GLN HE2x 1.0 0.0 4.21 804 736 A 20 GLN HE2y A 46 THR HG2% 1.0 0.0 5.61 805 736 A 20 GLN HE2x A 46 THR HG2% 1.0 0.0 5.61 806 737 A 20 GLN HE2y A 47 ASP HBy 1.0 0.0 4.29 807 737 A 20 GLN HE2y A 47 ASP HBx 1.0 0.0 4.29 808 737 A 20 GLN HE2x A 47 ASP HBy 1.0 0.0 4.29 809 737 A 20 GLN HE2x A 47 ASP HBx 1.0 0.0 4.29 810 738 A 20 GLN HE2y A 48 LEU HD2% 1.0 0.0 3.68 811 738 A 48 LEU HD2% A 20 GLN HE2x 1.0 0.0 3.68 812 739 A 22 GLU H A 22 GLU HBy 1.0 0.0 3.27 813 739 A 22 GLU H A 22 GLU HBx 1.0 0.0 3.27 814 740 A 22 GLU H A 22 GLU HGy 1.0 0.0 3.55 815 740 A 22 GLU H A 22 GLU HGx 1.0 0.0 3.55 816 741 A 22 GLU HA A 25 GLU HBy 1.0 0.0 5.61 817 741 A 22 GLU HA A 25 GLU HBx 1.0 0.0 5.61 818 742 A 23 GLU H A 22 GLU HBy 1.0 0.0 3.44 819 742 A 23 GLU H A 22 GLU HBx 1.0 0.0 3.44 820 743 A 23 GLU H A 22 GLU HGy 1.0 0.0 5.61 821 743 A 23 GLU H A 22 GLU HGx 1.0 0.0 5.61 822 744 A 23 GLU H A 23 GLU HBy 1.0 0.0 3.08 823 744 A 23 GLU H A 23 GLU HBx 1.0 0.0 3.08 824 745 A 23 GLU H A 23 GLU HGy 1.0 0.0 3.42 825 745 A 23 GLU H A 23 GLU HGx 1.0 0.0 3.42 826 746 A 23 GLU HA A 26 LYS HBx 1.0 0.0 5.09 827 746 A 23 GLU HA A 26 LYS HBy 1.0 0.0 5.09 828 747 A 23 GLU HA A 26 LYS HGx 1.0 0.0 5.61 829 747 A 23 GLU HA A 26 LYS HGy 1.0 0.0 5.61 830 748 A 24 LEU H A 23 GLU HBy 1.0 0.0 3.68 831 748 A 24 LEU H A 23 GLU HBx 1.0 0.0 3.68 832 749 A 42 LEU HD1% A 23 GLU HBy 1.0 0.0 5.59 833 749 A 42 LEU HD1% A 23 GLU HBx 1.0 0.0 5.59 834 750 A 46 THR HG2% A 23 GLU HBy 1.0 0.0 4.87 835 750 A 46 THR HG2% A 23 GLU HBx 1.0 0.0 4.87 836 751 A 25 GLU HA A 26 LYS HBx 1.0 0.0 5.61 837 751 A 25 GLU HA A 26 LYS HBy 1.0 0.0 5.61 838 752 A 25 GLU HA A 60 ARG HGy 1.0 0.0 5.61 839 752 A 25 GLU HA A 60 ARG HGx 1.0 0.0 5.61 840 753 A 56 TRP HZ2 A 25 GLU HBy 1.0 0.0 4.30 841 753 A 56 TRP HZ2 A 25 GLU HBx 1.0 0.0 4.30 842 754 A 56 TRP HH2 A 25 GLU HBy 1.0 0.0 4.71 843 754 A 56 TRP HH2 A 25 GLU HBx 1.0 0.0 4.71 844 755 A 26 LYS H A 25 GLU HGy 1.0 0.0 5.49 845 755 A 26 LYS H A 25 GLU HGx 1.0 0.0 5.49 846 756 A 56 TRP HZ2 A 25 GLU HGy 1.0 0.0 4.43 847 756 A 56 TRP HZ2 A 25 GLU HGx 1.0 0.0 4.43 848 757 A 26 LYS H A 26 LYS HBx 1.0 0.0 3.42 849 757 A 26 LYS H A 26 LYS HBy 1.0 0.0 3.42 850 758 A 26 LYS H A 26 LYS HGx 1.0 0.0 4.06 851 758 A 26 LYS H A 26 LYS HGy 1.0 0.0 4.06 852 759 A 26 LYS H A 26 LYS HDy 1.0 0.0 5.61 853 759 A 26 LYS H A 26 LYS HDx 1.0 0.0 5.61 854 760 A 26 LYS HA A 26 LYS HDy 1.0 0.0 5.61 855 760 A 26 LYS HA A 26 LYS HDx 1.0 0.0 5.61 856 761 A 27 VAL HA A 26 LYS HBx 1.0 0.0 5.61 857 761 A 27 VAL HA A 26 LYS HBy 1.0 0.0 5.61 858 762 A 27 VAL HG2% A 26 LYS HBx 1.0 0.0 5.61 859 762 A 27 VAL HG2% A 26 LYS HBy 1.0 0.0 5.61 860 763 A 27 VAL H A 26 LYS HGx 1.0 0.0 5.61 861 763 A 27 VAL H A 26 LYS HGy 1.0 0.0 5.61 862 764 A 27 VAL HG2% A 26 LYS HGx 1.0 0.0 5.61 863 764 A 27 VAL HG2% A 26 LYS HGy 1.0 0.0 5.61 864 765 A 27 VAL HG2% A 26 LYS HDy 1.0 0.0 5.61 865 765 A 27 VAL HG2% A 26 LYS HDx 1.0 0.0 5.61 866 766 A 27 VAL HA A 30 LYS HGx 1.0 0.0 5.61 867 766 A 27 VAL HA A 30 LYS HGy 1.0 0.0 5.61 868 767 A 27 VAL HG1% A 34 PRO HGx 1.0 0.0 5.62 869 767 A 27 VAL HG1% A 34 PRO HGy 1.0 0.0 5.62 870 768 A 28 PHE HE% A 32 HIS HBx 1.0 0.0 4.69 871 768 A 28 PHE HE% A 32 HIS HBy 1.0 0.0 4.69 872 769 A 28 PHE HE% A 60 ARG HGy 1.0 0.0 4.44 873 769 A 28 PHE HE% A 60 ARG HGx 1.0 0.0 4.44 874 770 A 28 PHE HE% A 64 TRP HBx 1.0 0.0 5.41 875 770 A 28 PHE HE% A 64 TRP HBy 1.0 0.0 5.41 876 771 A 28 PHE HZ A 60 ARG HGy 1.0 0.0 4.30 877 771 A 28 PHE HZ A 60 ARG HGx 1.0 0.0 4.30 878 772 A 28 PHE HZ A 64 TRP HBx 1.0 0.0 3.80 879 772 A 28 PHE HZ A 64 TRP HBy 1.0 0.0 3.80 880 773 A 29 GLN H A 29 GLN HBy 1.0 0.0 3.08 881 773 A 29 GLN H A 29 GLN HBx 1.0 0.0 3.08 882 774 A 30 LYS H A 29 GLN HBy 1.0 0.0 4.35 883 774 A 30 LYS H A 29 GLN HBx 1.0 0.0 4.35 884 775 A 30 LYS H A 30 LYS HBx 1.0 0.0 3.26 885 775 A 30 LYS H A 30 LYS HBy 1.0 0.0 3.26 886 776 A 30 LYS H A 30 LYS HGx 1.0 0.0 3.93 887 776 A 30 LYS H A 30 LYS HGy 1.0 0.0 3.93 888 777 A 31 THR HG2% A 34 PRO HGx 1.0 0.0 5.62 889 777 A 31 THR HG2% A 34 PRO HGy 1.0 0.0 5.62 890 778 A 33 TYR HD% A 32 HIS HBx 1.0 0.0 3.64 891 778 A 33 TYR HD% A 32 HIS HBy 1.0 0.0 3.64 892 779 A 33 TYR HE% A 32 HIS HBx 1.0 0.0 4.00 893 779 A 32 HIS HBy A 33 TYR HE% 1.0 0.0 4.00 894 780 A 32 HIS HBy A 61 ARG HGy 1.0 0.0 5.44 895 780 A 32 HIS HBx A 61 ARG HGy 1.0 0.0 5.44 896 780 A 61 ARG HGx A 32 HIS HBx 1.0 0.0 5.44 897 780 A 32 HIS HBy A 61 ARG HGx 1.0 0.0 5.44 898 781 A 33 TYR H A 33 TYR HBy 1.0 0.0 3.61 899 781 A 33 TYR H A 33 TYR HBx 1.0 0.0 3.61 900 782 A 34 PRO HB3 A 39 ARG HDy 1.0 0.0 5.61 901 782 A 34 PRO HB2 A 39 ARG HDy 1.0 0.0 5.61 902 782 A 39 ARG HDx A 34 PRO HB2 1.0 0.0 5.61 903 782 A 34 PRO HB3 A 39 ARG HDx 1.0 0.0 5.61 904 783 A 34 PRO HGy A 39 ARG HGx 1.0 0.0 4.76 905 783 A 34 PRO HGx A 39 ARG HGx 1.0 0.0 4.76 906 783 A 39 ARG HGy A 34 PRO HGx 1.0 0.0 4.76 907 783 A 34 PRO HGy A 39 ARG HGy 1.0 0.0 4.76 908 784 A 34 PRO HGy A 39 ARG HDy 1.0 0.0 5.00 909 784 A 34 PRO HGx A 39 ARG HDy 1.0 0.0 5.00 910 784 A 39 ARG HDx A 34 PRO HGx 1.0 0.0 5.00 911 784 A 34 PRO HGy A 39 ARG HDx 1.0 0.0 5.00 912 785 A 57 PHE HE% A 34 PRO HGx 1.0 0.0 5.62 913 785 A 57 PHE HE% A 34 PRO HGy 1.0 0.0 5.62 914 786 A 57 PHE HZ A 34 PRO HGx 1.0 0.0 4.70 915 786 A 57 PHE HZ A 34 PRO HGy 1.0 0.0 4.70 916 787 A 35 ASP H A 35 ASP HBy 1.0 0.0 3.52 917 787 A 35 ASP H A 35 ASP HBx 1.0 0.0 3.52 918 788 A 36 VAL H A 35 ASP HBy 1.0 0.0 3.18 919 788 A 36 VAL H A 35 ASP HBx 1.0 0.0 3.18 920 789 A 36 VAL HG1% A 35 ASP HBy 1.0 0.0 5.61 921 789 A 36 VAL HG1% A 35 ASP HBx 1.0 0.0 5.61 922 790 A 37 TYR H A 35 ASP HBy 1.0 0.0 4.85 923 790 A 37 TYR H A 35 ASP HBx 1.0 0.0 4.85 924 791 A 36 VAL HG2% A 50 GLU HGx 1.0 0.0 5.61 925 791 A 36 VAL HG2% A 50 GLU HGy 1.0 0.0 5.61 926 792 A 37 TYR HE% A 41 GLN HGx 1.0 0.0 3.93 927 792 A 37 TYR HE% A 41 GLN HGy 1.0 0.0 3.93 928 793 A 38 ALA HA A 41 GLN HBx 1.0 0.0 5.54 929 793 A 38 ALA HA A 41 GLN HBy 1.0 0.0 5.54 930 794 A 38 ALA HB% A 39 ARG HGx 1.0 0.0 5.61 931 794 A 38 ALA HB% A 39 ARG HGy 1.0 0.0 5.61 932 795 A 38 ALA HB% A 41 GLN HGx 1.0 0.0 5.61 933 795 A 38 ALA HB% A 41 GLN HGy 1.0 0.0 5.61 934 796 A 39 ARG H A 39 ARG HGx 1.0 0.0 3.42 935 796 A 39 ARG H A 39 ARG HGy 1.0 0.0 3.42 936 797 A 40 GLU H A 40 GLU HBy 1.0 0.0 3.42 937 797 A 40 GLU H A 40 GLU HBx 1.0 0.0 3.42 938 798 A 40 GLU H A 40 GLU HGy 1.0 0.0 3.66 939 798 A 40 GLU H A 40 GLU HGx 1.0 0.0 3.66 940 799 A 41 GLN H A 40 GLU HBy 1.0 0.0 3.17 941 799 A 41 GLN H A 40 GLU HBx 1.0 0.0 3.17 942 800 A 41 GLN H A 40 GLU HGy 1.0 0.0 5.61 943 800 A 41 GLN H A 40 GLU HGx 1.0 0.0 5.61 944 801 A 41 GLN H A 41 GLN HBx 1.0 0.0 3.46 945 801 A 41 GLN H A 41 GLN HBy 1.0 0.0 3.46 946 802 A 41 GLN H A 41 GLN HGx 1.0 0.0 3.10 947 802 A 41 GLN H A 41 GLN HGy 1.0 0.0 3.10 948 803 A 41 GLN HE2x A 41 GLN HBy 1.0 0.0 4.45 949 803 A 41 GLN HE2y A 41 GLN HBy 1.0 0.0 4.45 950 803 A 41 GLN HE2x A 41 GLN HBx 1.0 0.0 4.45 951 803 A 41 GLN HE2y A 41 GLN HBx 1.0 0.0 4.45 952 804 A 42 LEU H A 41 GLN HBx 1.0 0.0 3.58 953 804 A 42 LEU H A 41 GLN HBy 1.0 0.0 3.58 954 805 A 41 GLN HE2y A 41 GLN HGy 1.0 0.0 3.31 955 805 A 41 GLN HE2x A 41 GLN HGx 1.0 0.0 3.31 956 805 A 41 GLN HE2x A 41 GLN HGy 1.0 0.0 3.31 957 805 A 41 GLN HE2y A 41 GLN HGx 1.0 0.0 3.31 958 806 A 42 LEU H A 41 GLN HGx 1.0 0.0 4.43 959 806 A 42 LEU H A 41 GLN HGy 1.0 0.0 4.43 960 807 A 42 LEU HA A 45 ARG HBx 1.0 0.0 5.61 961 807 A 42 LEU HA A 45 ARG HBy 1.0 0.0 5.61 962 808 A 43 ALA HB% A 50 GLU HBy 1.0 0.0 5.61 963 808 A 43 ALA HB% A 50 GLU HBx 1.0 0.0 5.61 964 809 A 43 ALA HB% A 50 GLU HGx 1.0 0.0 5.61 965 809 A 43 ALA HB% A 50 GLU HGy 1.0 0.0 5.61 966 810 A 44 MET H A 44 MET HGx 1.0 0.0 3.65 967 810 A 44 MET H A 44 MET HGy 1.0 0.0 3.65 968 811 A 45 ARG H A 45 ARG HBx 1.0 0.0 3.22 969 811 A 45 ARG H A 45 ARG HBy 1.0 0.0 3.22 970 812 A 47 ASP H A 47 ASP HBx 1.0 0.0 3.80 971 812 A 47 ASP H A 47 ASP HBy 1.0 0.0 3.80 972 813 A 48 LEU H A 47 ASP HBx 1.0 0.0 4.64 973 813 A 48 LEU H A 47 ASP HBy 1.0 0.0 4.64 974 814 A 48 LEU HG A 47 ASP HBx 1.0 0.0 4.92 975 814 A 48 LEU HG A 47 ASP HBy 1.0 0.0 4.92 976 815 A 49 THR H A 52 ARG HBy 1.0 0.0 3.69 977 815 A 49 THR H A 52 ARG HBx 1.0 0.0 3.69 978 816 A 49 THR HG2% A 50 GLU HBy 1.0 0.0 5.61 979 816 A 49 THR HG2% A 50 GLU HBx 1.0 0.0 5.61 980 817 A 49 THR HG2% A 52 ARG HBy 1.0 0.0 5.61 981 817 A 49 THR HG2% A 52 ARG HBx 1.0 0.0 5.61 982 818 A 49 THR HG2% A 52 ARG HDy 1.0 0.0 5.61 983 818 A 49 THR HG2% A 52 ARG HDx 1.0 0.0 5.61 984 819 A 51 ALA H A 50 GLU HBy 1.0 0.0 3.71 985 819 A 51 ALA H A 50 GLU HBx 1.0 0.0 3.71 986 820 A 51 ALA HB% A 50 GLU HBy 1.0 0.0 5.61 987 820 A 51 ALA HB% A 50 GLU HBx 1.0 0.0 5.61 988 821 A 52 ARG H A 52 ARG HBy 1.0 0.0 3.04 989 821 A 52 ARG H A 52 ARG HBx 1.0 0.0 3.04 990 822 A 52 ARG H A 52 ARG HGy 1.0 0.0 4.11 991 822 A 52 ARG H A 52 ARG HGx 1.0 0.0 4.11 992 823 A 53 VAL H A 52 ARG HBy 1.0 0.0 3.66 993 823 A 53 VAL H A 52 ARG HBx 1.0 0.0 3.66 994 824 A 53 VAL HG2% A 52 ARG HBy 1.0 0.0 5.61 995 824 A 53 VAL HG2% A 52 ARG HBx 1.0 0.0 5.61 996 825 A 55 VAL HG2% A 52 ARG HDy 1.0 0.0 5.61 997 825 A 55 VAL HG2% A 52 ARG HDx 1.0 0.0 5.61 998 826 A 55 VAL HG1% A 58 GLN HBy 1.0 0.0 5.61 999 826 A 55 VAL HG1% A 58 GLN HBx 1.0 0.0 5.61 1000 827 A 55 VAL HG1% A 59 ASN HD2y 1.0 0.0 4.00 1001 827 A 55 VAL HG1% A 59 ASN HD2x 1.0 0.0 4.00 1002 828 A 56 TRP HH2 A 60 ARG HGy 1.0 0.0 4.38 1003 828 A 56 TRP HH2 A 60 ARG HGx 1.0 0.0 4.38 1004 829 A 57 PHE HA A 60 ARG HGy 1.0 0.0 5.61 1005 829 A 57 PHE HA A 60 ARG HGx 1.0 0.0 5.61 1006 830 A 58 GLN H A 58 GLN HBy 1.0 0.0 3.10 1007 830 A 58 GLN H A 58 GLN HBx 1.0 0.0 3.10 1008 831 A 58 GLN H A 58 GLN HGy 1.0 0.0 3.42 1009 831 A 58 GLN H A 58 GLN HGx 1.0 0.0 3.42 1010 832 A 58 GLN HA A 61 ARG HBy 1.0 0.0 5.61 1011 832 A 58 GLN HA A 61 ARG HBx 1.0 0.0 5.61 1012 833 A 59 ASN H A 59 ASN HBy 1.0 0.0 3.11 1013 833 A 59 ASN H A 59 ASN HBx 1.0 0.0 3.11 1014 834 A 60 ARG H A 59 ASN HBy 1.0 0.0 3.72 1015 834 A 60 ARG H A 59 ASN HBx 1.0 0.0 3.72 1016 835 A 60 ARG H A 60 ARG HGy 1.0 0.0 4.63 1017 835 A 60 ARG H A 60 ARG HGx 1.0 0.0 4.63 1018 836 A 60 ARG HA A 63 LYS HDy 1.0 0.0 5.61 1019 836 A 60 ARG HA A 63 LYS HDx 1.0 0.0 5.61 1020 837 A 61 ARG H A 61 ARG HBy 1.0 0.0 3.80 1021 837 A 61 ARG H A 61 ARG HBx 1.0 0.0 3.80 1022 838 A 61 ARG H A 61 ARG HGy 1.0 0.0 4.06 1023 838 A 61 ARG H A 61 ARG HGx 1.0 0.0 4.06 1024 839 A 62 ALA H A 61 ARG HBy 1.0 0.0 3.90 1025 839 A 62 ALA H A 61 ARG HBx 1.0 0.0 3.90 1026 840 A 62 ALA HA A 65 ARG HBx 1.0 0.0 5.61 1027 840 A 62 ALA HA A 65 ARG HBy 1.0 0.0 5.61 1028 841 A 62 ALA HA A 65 ARG HGy 1.0 0.0 5.61 1029 841 A 62 ALA HA A 65 ARG HGx 1.0 0.0 5.61 1030 842 A 63 LYS H A 63 LYS HGx 1.0 0.0 4.59 1031 842 A 63 LYS H A 63 LYS HGy 1.0 0.0 4.59 1032 843 A 64 TRP HE3 A 64 TRP HBx 1.0 0.0 3.72 1033 843 A 64 TRP HE3 A 64 TRP HBy 1.0 0.0 3.72 1034 844 A 65 ARG H A 64 TRP HBx 1.0 0.0 4.43 1035 844 A 65 ARG H A 64 TRP HBy 1.0 0.0 4.43 1036 845 A 64 TRP HE3 A 65 ARG HBx 1.0 0.0 5.32 1037 845 A 64 TRP HE3 A 65 ARG HBy 1.0 0.0 5.32 1038 846 A 64 TRP HZ3 A 65 ARG HBx 1.0 0.0 5.61 1039 846 A 64 TRP HZ3 A 65 ARG HBy 1.0 0.0 5.61 1040 847 A 64 TRP HZ3 A 65 ARG HGy 1.0 0.0 4.64 1041 847 A 64 TRP HZ3 A 65 ARG HGx 1.0 0.0 4.64 1042 848 A 65 ARG H A 65 ARG HBx 1.0 0.0 3.58 1043 848 A 65 ARG H A 65 ARG HBy 1.0 0.0 3.58 1044 849 A 65 ARG H A 65 ARG HGy 1.0 0.0 4.55 1045 849 A 65 ARG H A 65 ARG HGx 1.0 0.0 4.55 1046 850 A 65 ARG HA A 65 ARG HDx 1.0 0.0 5.61 1047 850 A 65 ARG HA A 65 ARG HDy 1.0 0.0 5.61 1048 851 A 66 LYS H A 65 ARG HGy 1.0 0.0 5.61 1049 851 A 66 LYS H A 65 ARG HGx 1.0 0.0 5.61 1050 852 A 66 LYS H A 66 LYS HGx 1.0 0.0 5.40 1051 852 A 66 LYS H A 66 LYS HGy 1.0 0.0 5.40 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 18 SER C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -84.9 -44.9 PHI 2 2 A 19 TYR N A 19 TYR CA A 19 TYR C A 20 GLN N 1.0 -59.9 -19.9 PSI 3 3 A 19 TYR C A 20 GLN N A 20 GLN CA A 20 GLN C 1.0 -80.7 -40.7 PHI 4 4 A 20 GLN N A 20 GLN CA A 20 GLN C A 21 LEU N 1.0 -66.4 -26.4 PSI 5 5 A 20 GLN C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -81.3 -41.3 PHI 6 6 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 GLU N 1.0 -60.8 -20.8 PSI 7 7 A 21 LEU C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -83.7 -43.7 PHI 8 8 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 GLU N 1.0 -57.9 -17.9 PSI 9 9 A 22 GLU C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -87.3 -47.3 PHI 10 10 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 LEU N 1.0 -63.7 -23.7 PSI 11 11 A 23 GLU C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -83.2 -43.2 PHI 12 12 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 GLU N 1.0 -54.4 -14.4 PSI 13 13 A 24 LEU C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -81.0 -41.0 PHI 14 14 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 LYS N 1.0 -60.6 -20.6 PSI 15 15 A 25 GLU C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -84.5 -44.5 PHI 16 16 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 VAL N 1.0 -57.3 -13.3 PSI 17 17 A 26 LYS C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -84.9 -44.9 PHI 18 18 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 PHE N 1.0 -61.4 -21.4 PSI 19 19 A 27 VAL C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -81.3 -41.3 PHI 20 20 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 GLN N 1.0 -65.3 -25.3 PSI 21 21 A 28 PHE C A 29 GLN N A 29 GLN CA A 29 GLN C 1.0 -93.4 -52.6 PHI 22 22 A 29 GLN N A 29 GLN CA A 29 GLN C A 30 LYS N 1.0 -54.0 5.6 PSI 23 23 A 35 ASP C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -77.9 -37.9 PHI 24 24 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 TYR N 1.0 -64.5 -12.5 PSI 25 25 A 36 VAL C A 37 TYR N A 37 TYR CA A 37 TYR C 1.0 -81.7 -41.7 PHI 26 26 A 37 TYR N A 37 TYR CA A 37 TYR C A 38 ALA N 1.0 -64.4 -24.4 PSI 27 27 A 37 TYR C A 38 ALA N A 38 ALA CA A 38 ALA C 1.0 -81.7 -41.7 PHI 28 28 A 38 ALA N A 38 ALA CA A 38 ALA C A 39 ARG N 1.0 -59.6 -19.6 PSI 29 29 A 38 ALA C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -85.5 -45.5 PHI 30 30 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 GLU N 1.0 -60.4 -20.4 PSI 31 31 A 39 ARG C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -81.3 -41.3 PHI 32 32 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 GLN N 1.0 -62.1 -22.1 PSI 33 33 A 40 GLU C A 41 GLN N A 41 GLN CA A 41 GLN C 1.0 -86.1 -46.1 PHI 34 34 A 41 GLN N A 41 GLN CA A 41 GLN C A 42 LEU N 1.0 -62.0 -22.0 PSI 35 35 A 41 GLN C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -85.3 -45.3 PHI 36 36 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 ALA N 1.0 -60.8 -20.8 PSI 37 37 A 42 LEU C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -81.5 -41.5 PHI 38 38 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 MET N 1.0 -61.2 -21.2 PSI 39 39 A 43 ALA C A 44 MET N A 44 MET CA A 44 MET C 1.0 -87.4 -47.4 PHI 40 40 A 44 MET N A 44 MET CA A 44 MET C A 45 ARG N 1.0 -48.7 -8.5 PSI 41 41 A 44 MET C A 45 ARG N A 45 ARG CA A 45 ARG C 1.0 -96.5 -48.7 PHI 42 42 A 45 ARG N A 45 ARG CA A 45 ARG C A 46 THR N 1.0 -65.4 9.8 PSI 43 43 A 45 ARG C A 46 THR N A 46 THR CA A 46 THR C 1.0 -118.2 -75.2 PHI 44 44 A 46 THR N A 46 THR CA A 46 THR C A 47 ASP N 1.0 -41.4 33.4 PSI 45 45 A 46 THR C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 39.2 84.0 PHI 46 46 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 LEU N 1.0 3.5 66.5 PSI 47 47 A 47 ASP C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -157.8 -88.2 PHI 48 48 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 THR N 1.0 139.3 179.3 PSI 49 49 A 48 LEU C A 49 THR N A 49 THR CA A 49 THR C 1.0 -173.4 -67.0 PHI 50 50 A 49 THR N A 49 THR CA A 49 THR C A 50 GLU N 1.0 144.7 184.7 PSI 51 51 A 49 THR C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -78.5 -38.5 PHI 52 52 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 ALA N 1.0 -63.8 -23.8 PSI 53 53 A 50 GLU C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -78.7 -38.7 PHI 54 54 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 ARG N 1.0 -65.8 -25.8 PSI 55 55 A 51 ALA C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -83.9 -43.9 PHI 56 56 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 VAL N 1.0 -59.9 -19.9 PSI 57 57 A 52 ARG C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -85.1 -45.1 PHI 58 58 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 GLN N 1.0 -61.5 -21.5 PSI 59 59 A 53 VAL C A 54 GLN N A 54 GLN CA A 54 GLN C 1.0 -81.7 -41.7 PHI 60 60 A 54 GLN N A 54 GLN CA A 54 GLN C A 55 VAL N 1.0 -58.0 -18.0 PSI 61 61 A 54 GLN C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -83.5 -43.5 PHI 62 62 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 TRP N 1.0 -64.6 -24.6 PSI 63 63 A 55 VAL C A 56 TRP N A 56 TRP CA A 56 TRP C 1.0 -80.7 -40.7 PHI 64 64 A 56 TRP N A 56 TRP CA A 56 TRP C A 57 PHE N 1.0 -65.8 -25.8 PSI 65 65 A 56 TRP C A 57 PHE N A 57 PHE CA A 57 PHE C 1.0 -80.5 -40.5 PHI 66 66 A 57 PHE N A 57 PHE CA A 57 PHE C A 58 GLN N 1.0 -62.1 -22.1 PSI 67 67 A 57 PHE C A 58 GLN N A 58 GLN CA A 58 GLN C 1.0 -84.7 -44.7 PHI 68 68 A 58 GLN N A 58 GLN CA A 58 GLN C A 59 ASN N 1.0 -59.9 -19.9 PSI 69 69 A 58 GLN C A 59 ASN N A 59 ASN CA A 59 ASN C 1.0 -83.9 -43.9 PHI 70 70 A 59 ASN N A 59 ASN CA A 59 ASN C A 60 ARG N 1.0 -59.9 -19.9 PSI 71 71 A 59 ASN C A 60 ARG N A 60 ARG CA A 60 ARG C 1.0 -104.7 -37.7 PHI 72 72 A 60 ARG N A 60 ARG CA A 60 ARG C A 61 ARG N 1.0 -57.3 -15.7 PSI 73 73 A 60 ARG C A 61 ARG N A 61 ARG CA A 61 ARG C 1.0 -82.5 -42.5 PHI 74 74 A 61 ARG N A 61 ARG CA A 61 ARG C A 62 ALA N 1.0 -59.5 -19.5 PSI 75 75 A 61 ARG C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -83.5 -43.5 PHI 76 76 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 LYS N 1.0 -57.6 -17.6 PSI 77 77 A 62 ALA C A 63 LYS N A 63 LYS CA A 63 LYS C 1.0 -82.6 -42.6 PHI 78 78 A 63 LYS N A 63 LYS CA A 63 LYS C A 64 TRP N 1.0 -62.0 -22.0 PSI 79 79 A 63 LYS C A 64 TRP N A 64 TRP CA A 64 TRP C 1.0 -83.2 -43.2 PHI 80 80 A 64 TRP N A 64 TRP CA A 64 TRP C A 65 ARG N 1.0 -62.7 -22.7 PSI stop_ save_