data_nef_c25442_2my2 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 19766 BMRB 25443 PDB 2MKC 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 ALA middle . . 3 A 3 MET middle . . 4 A 4 GLY middle . false 5 A 5 ASN middle . . 6 A 6 GLU middle . . 7 A 7 TYR middle . . 8 A 8 LYS middle . . 9 A 9 ASP middle . . 10 A 10 ASN middle . . 11 A 11 ALA middle . . 12 A 12 TYR middle . . 13 A 13 ILE middle . . 14 A 14 TYR middle . . 15 A 15 ILE middle . . 16 A 16 GLY middle . false 17 A 17 ASN middle . . 18 A 18 LEU middle . . 19 A 19 ASN middle . . 20 A 20 ARG middle . . 21 A 21 GLU middle . . 22 A 22 LEU middle . . 23 A 23 THR middle . . 24 A 24 GLU middle . . 25 A 25 GLY middle . false 26 A 26 ASP middle . . 27 A 27 ILE middle . . 28 A 28 LEU middle . . 29 A 29 THR middle . . 30 A 30 VAL middle . . 31 A 31 PHE middle . . 32 A 32 SER middle . . 33 A 33 GLU middle . . 34 A 34 TYR middle . . 35 A 35 GLY middle . false 36 A 36 VAL middle . . 37 A 37 PRO middle . false 38 A 38 VAL middle . . 39 A 39 ASP middle . . 40 A 40 VAL middle . . 41 A 41 ILE middle . . 42 A 42 LEU middle . . 43 A 43 SER middle . . 44 A 44 ARG middle . . 45 A 45 ASP middle . . 46 A 46 GLU middle . . 47 A 47 ASN middle . . 48 A 48 THR middle . . 49 A 49 GLY middle . false 50 A 50 GLU middle . . 51 A 51 SER middle . . 52 A 52 GLN middle . . 53 A 53 GLY middle . false 54 A 54 PHE middle . . 55 A 55 ALA middle . . 56 A 56 TYR middle . . 57 A 57 LEU middle . . 58 A 58 LYS middle . . 59 A 59 TYR middle . . 60 A 60 GLU middle . . 61 A 61 ASP middle . . 62 A 62 GLN middle . . 63 A 63 ARG middle . . 64 A 64 SER middle . . 65 A 65 THR middle . . 66 A 66 ILE middle . . 67 A 67 LEU middle . . 68 A 68 ALA middle . . 69 A 69 VAL middle . . 70 A 70 ASP middle . . 71 A 71 ASN middle . . 72 A 72 LEU middle . . 73 A 73 ASN middle . . 74 A 74 GLY middle . false 75 A 75 PHE middle . . 76 A 76 LYS middle . . 77 A 77 ILE middle . . 78 A 78 GLY middle . false 79 A 79 GLY middle . false 80 A 80 ARG middle . . 81 A 81 ALA middle . . 82 A 82 LEU middle . . 83 A 83 LYS middle . . 84 A 84 ILE middle . . 85 A 85 ASP middle . . 86 A 86 HIS middle . . 87 A 87 THR middle . . 88 A 88 PHE middle . . 89 A 89 TYR middle . . 90 A 90 ARG middle . . 91 A 91 PRO middle . false 92 A 92 LYS middle . . 93 A 93 ARG middle . . 94 A 94 SER middle . . 95 A 95 LEU middle . . 96 A 96 GLN middle . . 97 A 97 LYS middle . . 98 A 98 TYR middle . . 99 A 99 TYR middle . . 100 A 100 GLU middle . . 101 A 101 ALA middle . . 102 A 102 VAL middle . . 103 A 103 LYS middle . . 104 A 104 GLU middle . . 105 A 105 GLU middle . . 106 A 106 LEU middle . . 107 A 107 ASP middle . . 108 A 108 ARG middle . . 109 A 109 ASP middle . . 110 A 110 ILE middle . . 111 A 111 VAL middle . . 112 A 112 SER middle . . 113 A 113 LYS middle . . 114 A 114 ASN middle . . 115 A 115 ASN middle . . 116 A 116 ALA middle . . 117 A 117 GLU middle . . 118 A 118 LYS end . . 119 B 302 TYR start . . 120 B 303 ASP middle . . 121 B 304 LYS middle . . 122 B 305 PRO middle . false 123 B 306 ALA middle . . 124 B 307 PRO middle . false 125 B 308 GLU middle . . 126 B 309 ASN middle . . 127 B 310 ARG middle . . 128 B 311 PHE middle . . 129 B 312 ALA middle . . 130 B 313 ILE middle . . 131 B 314 MET middle . . 132 B 315 PRO middle . false 133 B 316 GLY middle . false 134 B 317 SER middle . . 135 B 318 ARG middle . . 136 B 319 TRP middle . . 137 B 320 ASP middle . . 138 B 321 GLY middle . false 139 B 322 VAL middle . . 140 B 323 HIS middle . . 141 B 324 ARG middle . . 142 B 325 SER middle . . 143 B 326 ASN middle . . 144 B 327 GLY middle . false 145 B 328 PHE middle . . 146 B 329 GLU middle . . 147 B 330 GLU middle . . 148 B 331 LYS middle . . 149 B 332 TRP middle . . 150 B 333 PHE middle . . 151 B 334 ALA middle . . 152 B 335 LYS middle . . 153 B 336 GLN middle . . 154 B 337 ASN middle . . 155 B 338 GLU middle . . 156 B 339 ILE middle . . 157 B 340 ASN middle . . 158 B 341 GLU middle . . 159 B 342 LYS end . . stop_ save_ save_SHIFT_LIST _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode SHIFT_LIST loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY HAy H 1 4.014 0.009 A 1 GLY HAx H 1 3.963 0.007 A 1 GLY CA C 13 45.426 0.000 A 2 ALA HA H 1 4.335 0.007 A 2 ALA HB% H 1 1.428 0.009 A 2 ALA CA C 13 53.634 0.000 A 2 ALA CB C 13 19.441 0.000 A 3 MET H H 1 8.636 0.002 A 3 MET HA H 1 4.499 0.006 A 3 MET HBx H 1 2.025 0.005 A 3 MET HBy H 1 2.102 0.003 A 3 MET HE% H 1 2.051 0.005 A 3 MET HGx H 1 2.528 0.003 A 3 MET HGy H 1 2.590 0.004 A 3 MET CA C 13 55.772 0.000 A 3 MET CB C 13 32.968 0.000 A 3 MET CE C 13 17.036 0.095 A 3 MET CG C 13 32.224 0.018 A 3 MET N N 15 120.791 0.039 A 4 GLY H H 1 8.391 0.000 A 4 GLY HAy H 1 4.028 0.007 A 4 GLY HAx H 1 3.964 0.001 A 4 GLY CA C 13 45.531 0.092 A 4 GLY N N 15 109.879 0.000 A 5 ASN H H 1 7.954 0.006 A 5 ASN HA H 1 4.661 0.009 A 5 ASN HBx H 1 2.750 0.007 A 5 ASN HBy H 1 2.750 0.007 A 5 ASN CA C 13 53.419 0.000 A 5 ASN CB C 13 39.059 0.070 A 5 ASN N N 15 124.309 0.025 A 7 TYR H H 1 8.013 0.001 A 7 TYR HA H 1 4.463 0.005 A 7 TYR HBx H 1 2.876 0.006 A 7 TYR HBy H 1 2.991 0.004 A 7 TYR HDx H 1 7.005 0.000 A 7 TYR HDy H 1 7.005 0.000 A 7 TYR HEx H 1 6.777 0.001 A 7 TYR HEy H 1 6.777 0.001 A 7 TYR CA C 13 58.098 0.077 A 7 TYR CB C 13 38.252 0.056 A 7 TYR N N 15 120.088 0.009 A 8 LYS H H 1 7.845 0.002 A 8 LYS HA H 1 4.174 0.001 A 8 LYS HBx H 1 1.662 0.006 A 8 LYS HBy H 1 1.735 0.003 A 8 LYS HDx H 1 1.591 0.005 A 8 LYS HDy H 1 1.591 0.005 A 8 LYS HEx H 1 2.940 0.004 A 8 LYS HEy H 1 2.940 0.004 A 8 LYS HGx H 1 1.294 0.005 A 8 LYS HGy H 1 1.294 0.005 A 8 LYS CA C 13 56.835 0.074 A 8 LYS CB C 13 32.997 0.000 A 8 LYS CD C 13 29.085 0.000 A 8 LYS CE C 13 42.160 0.000 A 8 LYS CG C 13 24.685 0.000 A 8 LYS N N 15 121.766 0.029 A 9 ASP H H 1 8.043 0.007 A 9 ASP HA H 1 4.477 0.004 A 9 ASP HBy H 1 2.808 0.002 A 9 ASP HBx H 1 2.691 0.002 A 9 ASP CA C 13 54.660 0.001 A 9 ASP CB C 13 41.100 0.000 A 9 ASP N N 15 119.739 0.019 A 10 ASN H H 1 8.174 0.002 A 10 ASN HA H 1 4.875 0.003 A 10 ASN HBx H 1 2.848 0.002 A 10 ASN HBy H 1 2.848 0.002 A 10 ASN HD2x H 1 6.934 0.000 A 10 ASN HD2y H 1 7.415 0.000 A 10 ASN CA C 13 53.255 0.032 A 10 ASN CB C 13 39.105 0.012 A 10 ASN N N 15 119.260 0.037 A 10 ASN ND2 N 15 111.593 0.003 A 11 ALA H H 1 8.299 0.002 A 11 ALA HA H 1 4.544 0.006 A 11 ALA HB% H 1 1.533 0.002 A 11 ALA CA C 13 52.866 0.032 A 11 ALA N N 15 122.869 0.013 A 12 TYR H H 1 8.340 0.009 A 12 TYR HA H 1 5.220 0.010 A 12 TYR HBx H 1 2.807 0.011 A 12 TYR HBy H 1 3.047 0.002 A 12 TYR HDx H 1 7.039 0.007 A 12 TYR HDy H 1 7.039 0.007 A 12 TYR HEx H 1 6.610 0.005 A 12 TYR HEy H 1 6.610 0.005 A 12 TYR CA C 13 57.621 0.065 A 12 TYR CB C 13 41.631 0.069 A 12 TYR CDx C 13 133.798 0.025 A 12 TYR CDy C 13 133.798 0.025 A 12 TYR CEx C 13 118.007 0.016 A 12 TYR CEy C 13 118.007 0.016 A 12 TYR N N 15 117.351 0.043 A 13 ILE H H 1 9.216 0.006 A 13 ILE HA H 1 5.052 0.004 A 13 ILE HB H 1 1.730 0.000 A 13 ILE HD1% H 1 0.782 0.004 A 13 ILE HG1y H 1 1.375 0.000 A 13 ILE HG1x H 1 0.894 0.000 A 13 ILE HG2% H 1 0.861 0.004 A 13 ILE CA C 13 59.995 0.037 A 13 ILE CB C 13 40.418 0.000 A 13 ILE CD1 C 13 14.747 0.049 A 13 ILE CG2 C 13 19.167 0.034 A 13 ILE N N 15 112.184 0.033 A 14 TYR H H 1 9.086 0.007 A 14 TYR HA H 1 4.690 0.000 A 14 TYR HBx H 1 2.717 0.006 A 14 TYR HBy H 1 2.792 0.005 A 14 TYR HDx H 1 6.734 0.008 A 14 TYR HDy H 1 6.734 0.008 A 14 TYR HEx H 1 6.316 0.005 A 14 TYR HEy H 1 6.316 0.005 A 14 TYR CA C 13 56.688 0.000 A 14 TYR CB C 13 40.564 0.027 A 14 TYR CDx C 13 133.355 0.027 A 14 TYR CDy C 13 133.355 0.027 A 14 TYR CEx C 13 117.757 0.020 A 14 TYR CEy C 13 117.757 0.020 A 14 TYR N N 15 123.504 0.034 A 15 ILE H H 1 8.448 0.003 A 15 ILE HA H 1 4.288 0.007 A 15 ILE HB H 1 1.259 0.009 A 15 ILE HD1% H 1 -0.243 0.004 A 15 ILE HG1y H 1 1.250 0.001 A 15 ILE HG1x H 1 1.166 0.000 A 15 ILE HG2% H 1 0.728 0.004 A 15 ILE CA C 13 59.654 0.069 A 15 ILE CB C 13 40.260 0.020 A 15 ILE CD1 C 13 15.209 0.038 A 15 ILE CG1 C 13 26.391 0.000 A 15 ILE CG2 C 13 19.182 0.042 A 15 ILE N N 15 127.611 0.062 A 16 GLY H H 1 9.438 0.004 A 16 GLY HAx H 1 3.634 0.009 A 16 GLY HAy H 1 3.634 0.009 A 16 GLY CA C 13 43.240 0.068 A 16 GLY N N 15 112.660 0.028 A 17 ASN H H 1 8.497 0.005 A 17 ASN HA H 1 4.439 0.007 A 17 ASN HBy H 1 3.876 0.011 A 17 ASN HBx H 1 2.473 0.009 A 17 ASN HD2x H 1 6.919 0.009 A 17 ASN HD2y H 1 8.485 0.007 A 17 ASN CA C 13 53.251 0.130 A 17 ASN CB C 13 38.259 0.044 A 17 ASN N N 15 114.980 0.028 A 17 ASN ND2 N 15 112.448 0.024 A 18 LEU H H 1 7.859 0.003 A 18 LEU HA H 1 4.068 0.005 A 18 LEU HBx H 1 1.099 0.006 A 18 LEU HBy H 1 1.212 0.005 A 18 LEU HDx% H 1 0.402 0.004 A 18 LEU HDy% H 1 0.641 0.005 A 18 LEU HG H 1 1.243 0.003 A 18 LEU CA C 13 54.073 0.048 A 18 LEU CB C 13 42.912 0.016 A 18 LEU CDy C 13 26.457 0.043 A 18 LEU CDx C 13 23.831 0.034 A 18 LEU CG C 13 26.447 0.020 A 18 LEU N N 15 115.182 0.019 A 19 ASN H H 1 8.727 0.004 A 19 ASN HA H 1 4.464 0.003 A 19 ASN HBy H 1 2.824 0.003 A 19 ASN HBx H 1 2.720 0.004 A 19 ASN HD2x H 1 7.148 0.000 A 19 ASN HD2y H 1 8.071 0.000 A 19 ASN CA C 13 54.087 0.050 A 19 ASN CB C 13 38.703 0.014 A 19 ASN N N 15 122.392 0.023 A 19 ASN ND2 N 15 114.581 0.004 A 20 ARG H H 1 8.940 0.002 A 20 ARG HA H 1 3.937 0.007 A 20 ARG HBy H 1 2.056 0.000 A 20 ARG HBx H 1 1.914 0.000 A 20 ARG HDx H 1 3.184 0.004 A 20 ARG HDy H 1 3.236 0.002 A 20 ARG HGx H 1 1.618 0.006 A 20 ARG HGy H 1 1.790 0.002 A 20 ARG CA C 13 58.719 0.063 A 20 ARG CB C 13 29.719 0.022 A 20 ARG CD C 13 43.073 0.044 A 20 ARG CG C 13 27.708 0.034 A 20 ARG N N 15 126.283 0.038 A 21 GLU H H 1 8.867 0.002 A 21 GLU HA H 1 4.321 0.006 A 21 GLU HBy H 1 1.472 0.000 A 21 GLU HBx H 1 1.419 0.000 A 21 GLU HGx H 1 1.781 0.003 A 21 GLU HGy H 1 1.869 0.004 A 21 GLU CA C 13 56.778 0.052 A 21 GLU CG C 13 33.036 0.000 A 21 GLU N N 15 117.166 0.054 A 22 LEU H H 1 7.324 0.005 A 22 LEU HA H 1 4.540 0.007 A 22 LEU HBy H 1 1.835 0.013 A 22 LEU HBx H 1 1.334 0.006 A 22 LEU HDx% H 1 0.856 0.003 A 22 LEU HDy% H 1 0.975 0.004 A 22 LEU HG H 1 1.751 0.003 A 22 LEU CA C 13 55.505 0.033 A 22 LEU CB C 13 42.251 0.070 A 22 LEU CDx C 13 23.164 0.034 A 22 LEU CDy C 13 27.187 0.029 A 22 LEU CG C 13 27.539 0.029 A 22 LEU N N 15 119.643 0.034 A 23 THR H H 1 9.483 0.006 A 23 THR HA H 1 4.483 0.011 A 23 THR HB H 1 4.547 0.004 A 23 THR HG2% H 1 1.316 0.003 A 23 THR CA C 13 60.155 0.038 A 23 THR CB C 13 73.000 0.000 A 23 THR CG2 C 13 21.775 0.030 A 23 THR N N 15 114.564 0.037 A 24 GLU H H 1 10.410 0.006 A 24 GLU HA H 1 3.604 0.006 A 24 GLU HGy H 1 2.615 0.003 A 24 GLU HGx H 1 2.101 0.004 A 24 GLU CA C 13 62.158 0.067 A 24 GLU CG C 13 38.240 0.028 A 24 GLU N N 15 120.458 0.038 A 25 GLY H H 1 8.402 0.000 A 25 GLY HAx H 1 3.746 0.003 A 25 GLY HAy H 1 3.969 0.003 A 25 GLY CA C 13 47.219 0.065 A 25 GLY N N 15 105.261 0.000 A 26 ASP H H 1 7.539 0.004 A 26 ASP HA H 1 4.515 0.004 A 26 ASP HBx H 1 2.693 0.000 A 26 ASP HBy H 1 3.010 0.004 A 26 ASP CA C 13 58.005 0.031 A 26 ASP CB C 13 41.261 0.000 A 26 ASP N N 15 122.820 0.052 A 27 ILE H H 1 7.832 0.004 A 27 ILE HA H 1 3.609 0.005 A 27 ILE HB H 1 1.930 0.007 A 27 ILE HD1% H 1 0.548 0.005 A 27 ILE HG1y H 1 1.622 0.006 A 27 ILE HG1x H 1 0.868 0.011 A 27 ILE HG2% H 1 0.521 0.006 A 27 ILE CA C 13 65.348 0.021 A 27 ILE CB C 13 37.789 0.043 A 27 ILE CD1 C 13 13.719 0.026 A 27 ILE CG1 C 13 28.768 0.039 A 27 ILE CG2 C 13 18.429 0.033 A 27 ILE N N 15 118.686 0.027 A 28 LEU H H 1 8.731 0.004 A 28 LEU HA H 1 3.790 0.010 A 28 LEU HBx H 1 1.385 0.007 A 28 LEU HBy H 1 2.033 0.010 A 28 LEU HDx% H 1 0.761 0.004 A 28 LEU HDy% H 1 0.831 0.013 A 28 LEU HG H 1 1.673 0.006 A 28 LEU CA C 13 59.040 0.067 A 28 LEU CB C 13 42.520 0.028 A 28 LEU CDx C 13 24.187 0.033 A 28 LEU CDy C 13 24.774 0.021 A 28 LEU CG C 13 27.086 0.063 A 28 LEU N N 15 119.737 0.030 A 29 THR H H 1 8.251 0.003 A 29 THR HA H 1 4.045 0.003 A 29 THR HB H 1 4.462 0.005 A 29 THR HG2% H 1 1.449 0.004 A 29 THR CA C 13 67.196 0.072 A 29 THR CB C 13 69.194 0.053 A 29 THR CG2 C 13 21.889 0.053 A 29 THR N N 15 119.509 0.031 A 30 VAL H H 1 7.627 0.006 A 30 VAL HA H 1 3.869 0.008 A 30 VAL HB H 1 2.181 0.013 A 30 VAL HGx% H 1 1.098 0.004 A 30 VAL HGy% H 1 0.542 0.004 A 30 VAL CA C 13 65.727 0.084 A 30 VAL CB C 13 32.912 0.041 A 30 VAL CGy C 13 21.731 0.042 A 30 VAL CGx C 13 20.802 0.036 A 30 VAL N N 15 117.974 0.049 A 31 PHE H H 1 8.903 0.005 A 31 PHE HA H 1 3.908 0.005 A 31 PHE HBy H 1 3.070 0.004 A 31 PHE HBx H 1 2.911 0.015 A 31 PHE HDy H 1 7.810 0.007 A 31 PHE HEy H 1 6.992 0.008 A 31 PHE CA C 13 62.044 0.029 A 31 PHE CB C 13 37.217 0.006 A 31 PHE CDy C 13 132.109 0.038 A 31 PHE CEy C 13 130.536 0.049 A 31 PHE N N 15 113.937 0.053 A 32 SER H H 1 8.024 0.004 A 32 SER HA H 1 5.405 0.008 A 32 SER HBy H 1 4.126 0.001 A 32 SER HBx H 1 4.077 0.002 A 32 SER CA C 13 61.282 0.050 A 32 SER CB C 13 64.055 0.000 A 32 SER N N 15 118.854 0.021 A 33 GLU H H 1 6.935 0.006 A 33 GLU HA H 1 2.246 0.004 A 33 GLU HGy H 1 0.519 0.001 A 33 GLU HGx H 1 0.476 0.000 A 33 GLU CA C 13 59.596 0.010 A 33 GLU CG C 13 34.440 0.049 A 33 GLU N N 15 121.203 0.049 A 34 TYR H H 1 6.254 0.003 A 34 TYR HA H 1 4.953 0.012 A 34 TYR HBx H 1 2.246 0.003 A 34 TYR HBy H 1 3.433 0.002 A 34 TYR HDx H 1 6.657 0.008 A 34 TYR HDy H 1 6.657 0.008 A 34 TYR HEx H 1 6.527 0.006 A 34 TYR HEy H 1 6.527 0.006 A 34 TYR CA C 13 57.226 0.044 A 34 TYR CB C 13 38.821 0.000 A 34 TYR CDx C 13 132.101 0.056 A 34 TYR CDy C 13 132.101 0.056 A 34 TYR CEx C 13 117.902 0.050 A 34 TYR CEy C 13 117.902 0.050 A 34 TYR N N 15 108.039 0.033 A 35 GLY H H 1 7.247 0.004 A 35 GLY HAx H 1 3.710 0.010 A 35 GLY HAy H 1 4.184 0.003 A 35 GLY CA C 13 44.594 0.036 A 35 GLY N N 15 103.601 0.036 A 36 VAL H H 1 8.549 0.005 A 36 VAL HA H 1 4.537 0.008 A 36 VAL HB H 1 2.103 0.009 A 36 VAL HGx% H 1 0.905 0.000 A 36 VAL HGy% H 1 1.042 0.007 A 36 VAL CA C 13 59.942 0.017 A 36 VAL CB C 13 33.989 0.017 A 36 VAL CGx C 13 20.982 0.000 A 36 VAL CGy C 13 21.138 0.082 A 36 VAL N N 15 120.482 0.030 A 37 PRO HA H 1 4.543 0.000 A 37 PRO HBy H 1 1.655 0.003 A 37 PRO HBx H 1 1.611 0.002 A 37 PRO HDx H 1 3.684 0.005 A 37 PRO HGx H 1 1.448 0.008 A 37 PRO HGy H 1 1.949 0.005 A 37 PRO CA C 13 62.043 0.000 A 37 PRO CB C 13 31.531 0.035 A 37 PRO CD C 13 52.144 0.027 A 37 PRO CG C 13 28.467 0.026 A 38 VAL H H 1 9.099 0.005 A 38 VAL HA H 1 4.439 0.004 A 38 VAL HB H 1 2.150 0.005 A 38 VAL HGx% H 1 0.578 0.005 A 38 VAL HGy% H 1 0.908 0.006 A 38 VAL CA C 13 61.064 0.031 A 38 VAL CB C 13 32.842 0.012 A 38 VAL CGx C 13 18.852 0.030 A 38 VAL CGy C 13 21.392 0.059 A 38 VAL N N 15 118.566 0.038 A 39 ASP H H 1 7.300 0.004 A 39 ASP HA H 1 4.920 0.007 A 39 ASP HBx H 1 2.428 0.005 A 39 ASP HBy H 1 2.650 0.005 A 39 ASP CA C 13 54.860 0.058 A 39 ASP CB C 13 44.441 0.018 A 39 ASP N N 15 118.912 0.043 A 40 VAL H H 1 8.052 0.004 A 40 VAL HA H 1 4.759 0.006 A 40 VAL HB H 1 1.918 0.007 A 40 VAL HGx% H 1 0.724 0.003 A 40 VAL HGy% H 1 0.771 0.002 A 40 VAL CA C 13 61.259 0.035 A 40 VAL CB C 13 34.464 0.019 A 40 VAL CGy C 13 21.575 0.021 A 40 VAL CGx C 13 20.106 0.024 A 40 VAL N N 15 123.365 0.079 A 41 ILE H H 1 9.031 0.005 A 41 ILE HA H 1 4.361 0.005 A 41 ILE HB H 1 1.839 0.006 A 41 ILE HD1% H 1 0.795 0.006 A 41 ILE HG1x H 1 1.111 0.009 A 41 ILE HG1y H 1 1.436 0.007 A 41 ILE HG2% H 1 0.876 0.005 A 41 ILE CA C 13 60.204 0.030 A 41 ILE CB C 13 41.220 0.014 A 41 ILE CD1 C 13 14.964 0.036 A 41 ILE CG1 C 13 27.714 0.030 A 41 ILE CG2 C 13 17.958 0.015 A 41 ILE N N 15 127.951 0.031 A 42 LEU H H 1 8.935 0.006 A 42 LEU HA H 1 4.415 0.010 A 42 LEU HBx H 1 0.879 0.003 A 42 LEU HBy H 1 1.897 0.002 A 42 LEU HDx% H 1 0.734 0.004 A 42 LEU HDy% H 1 0.659 0.005 A 42 LEU HG H 1 1.307 0.005 A 42 LEU CA C 13 53.832 0.041 A 42 LEU CB C 13 44.353 0.001 A 42 LEU CDy C 13 25.880 0.021 A 42 LEU CDx C 13 23.623 0.033 A 42 LEU CG C 13 27.318 0.000 A 42 LEU N N 15 130.034 0.008 A 43 SER H H 1 8.088 0.004 A 43 SER HA H 1 4.092 0.003 A 43 SER HBy H 1 2.838 0.006 A 43 SER HBx H 1 2.727 0.008 A 43 SER CA C 13 59.298 0.048 A 43 SER CB C 13 62.879 0.021 A 43 SER N N 15 121.977 0.020 A 44 ARG H H 1 8.081 0.005 A 44 ARG HA H 1 4.906 0.003 A 44 ARG HBx H 1 1.233 0.003 A 44 ARG HBy H 1 1.416 0.003 A 44 ARG HDy H 1 3.151 0.000 A 44 ARG HDx H 1 3.076 0.000 A 44 ARG HGy H 1 1.526 0.015 A 44 ARG HGx H 1 1.215 0.014 A 44 ARG CA C 13 54.363 0.012 A 44 ARG CB C 13 34.095 0.010 A 44 ARG CD C 13 43.251 0.007 A 44 ARG CG C 13 28.285 0.000 A 44 ARG N N 15 125.852 0.034 A 45 ASP H H 1 8.594 0.009 A 45 ASP HA H 1 4.425 0.005 A 45 ASP HBx H 1 2.585 0.013 A 45 ASP HBy H 1 3.007 0.004 A 45 ASP CA C 13 54.728 0.041 A 45 ASP CB C 13 43.318 0.009 A 45 ASP N N 15 123.150 0.045 A 46 GLU H H 1 9.250 0.008 A 46 GLU HA H 1 4.048 0.009 A 46 GLU HBx H 1 2.075 0.006 A 46 GLU HBy H 1 2.075 0.006 A 46 GLU HGx H 1 2.334 0.006 A 46 GLU HGy H 1 2.334 0.006 A 46 GLU CA C 13 59.018 0.058 A 46 GLU CB C 13 29.870 0.001 A 46 GLU CG C 13 36.215 0.056 A 46 GLU N N 15 127.786 0.043 A 47 ASN H H 1 8.857 0.006 A 47 ASN HA H 1 4.825 0.005 A 47 ASN HBy H 1 3.010 0.005 A 47 ASN HBx H 1 2.836 0.004 A 47 ASN HD2x H 1 7.034 0.003 A 47 ASN HD2y H 1 7.911 0.001 A 47 ASN CA C 13 55.321 0.029 A 47 ASN CB C 13 39.927 0.028 A 47 ASN N N 15 116.105 0.024 A 47 ASN ND2 N 15 114.886 0.040 A 48 THR H H 1 8.539 0.004 A 48 THR HA H 1 4.461 0.005 A 48 THR HB H 1 4.427 0.006 A 48 THR HG2% H 1 1.216 0.004 A 48 THR CA C 13 61.883 0.056 A 48 THR CB C 13 71.194 0.049 A 48 THR CG2 C 13 21.193 0.023 A 48 THR N N 15 108.395 0.042 A 49 GLY H H 1 8.293 0.004 A 49 GLY HAx H 1 3.766 0.008 A 49 GLY HAy H 1 4.198 0.009 A 49 GLY CA C 13 45.706 0.037 A 49 GLY N N 15 110.910 0.031 A 50 GLU H H 1 7.854 0.004 A 50 GLU HA H 1 4.162 0.006 A 50 GLU HBx H 1 1.874 0.001 A 50 GLU HBy H 1 2.023 0.003 A 50 GLU HGx H 1 2.301 0.010 A 50 GLU HGy H 1 2.301 0.010 A 50 GLU CA C 13 56.540 0.070 A 50 GLU CB C 13 30.948 0.047 A 50 GLU CG C 13 36.362 0.001 A 50 GLU N N 15 120.328 0.033 A 51 SER H H 1 8.950 0.009 A 51 SER HA H 1 4.391 0.000 A 51 SER HBx H 1 4.011 0.000 A 51 SER HBy H 1 4.051 0.000 A 51 SER CA C 13 58.361 0.028 A 51 SER CB C 13 64.438 0.038 A 51 SER N N 15 117.235 0.028 A 52 GLN H H 1 8.929 0.007 A 52 GLN HA H 1 4.516 0.005 A 52 GLN HBy H 1 2.426 0.003 A 52 GLN HBx H 1 1.502 0.007 A 52 GLN HE2x H 1 6.967 0.000 A 52 GLN HE2y H 1 7.434 0.000 A 52 GLN HGy H 1 2.280 0.005 A 52 GLN HGx H 1 2.231 0.007 A 52 GLN CA C 13 55.406 0.018 A 52 GLN CB C 13 29.624 0.036 A 52 GLN CG C 13 34.837 0.038 A 52 GLN N N 15 122.996 0.041 A 52 GLN NE2 N 15 112.255 0.004 A 53 GLY H H 1 8.876 0.007 A 53 GLY HAy H 1 4.189 0.008 A 53 GLY HAx H 1 3.549 0.007 A 53 GLY CA C 13 46.434 0.035 A 53 GLY N N 15 106.139 0.047 A 54 PHE H H 1 6.938 0.005 A 54 PHE HA H 1 5.436 0.004 A 54 PHE HBx H 1 2.666 0.008 A 54 PHE HBy H 1 3.119 0.014 A 54 PHE HDx H 1 6.795 0.003 A 54 PHE HDy H 1 6.795 0.003 A 54 PHE HEx H 1 7.366 0.008 A 54 PHE HEy H 1 7.366 0.008 A 54 PHE CA C 13 55.464 0.033 A 54 PHE CB C 13 41.207 0.031 A 54 PHE CDx C 13 132.676 0.032 A 54 PHE CDy C 13 132.676 0.032 A 54 PHE N N 15 112.294 0.035 A 55 ALA H H 1 9.098 0.007 A 55 ALA HA H 1 5.051 0.003 A 55 ALA HB% H 1 0.940 0.005 A 55 ALA CA C 13 49.517 0.039 A 55 ALA CB C 13 24.966 0.012 A 55 ALA N N 15 121.935 0.047 A 56 TYR H H 1 8.572 0.006 A 56 TYR HA H 1 5.652 0.006 A 56 TYR HBx H 1 2.353 0.007 A 56 TYR HBy H 1 2.771 0.005 A 56 TYR HDx H 1 6.800 0.003 A 56 TYR HDy H 1 6.800 0.003 A 56 TYR CA C 13 56.128 0.023 A 56 TYR CB C 13 42.405 0.019 A 56 TYR CDx C 13 132.897 0.028 A 56 TYR CDy C 13 132.897 0.028 A 56 TYR N N 15 114.799 0.026 A 57 LEU H H 1 8.600 0.007 A 57 LEU HA H 1 5.100 0.005 A 57 LEU HDx% H 1 0.209 0.005 A 57 LEU HDy% H 1 -0.334 0.004 A 57 LEU HG H 1 1.347 0.007 A 57 LEU CA C 13 54.552 0.032 A 57 LEU CDy C 13 27.295 0.015 A 57 LEU CDx C 13 24.513 0.025 A 57 LEU CG C 13 26.433 0.000 A 57 LEU N N 15 123.129 0.029 A 58 LYS H H 1 8.389 0.006 A 58 LYS HA H 1 4.553 0.000 A 58 LYS HBx H 1 0.223 0.004 A 58 LYS HBy H 1 0.935 0.005 A 58 LYS HDx H 1 1.140 0.004 A 58 LYS HDy H 1 1.373 0.003 A 58 LYS HEx H 1 2.741 0.004 A 58 LYS HEy H 1 2.741 0.004 A 58 LYS HGx H 1 0.925 0.000 A 58 LYS HGy H 1 0.925 0.000 A 58 LYS CA C 13 54.518 0.018 A 58 LYS CB C 13 36.254 0.006 A 58 LYS CD C 13 29.673 0.037 A 58 LYS CE C 13 42.255 0.067 A 58 LYS CG C 13 25.126 0.000 A 58 LYS N N 15 126.556 0.059 A 59 TYR H H 1 9.035 0.006 A 59 TYR HA H 1 5.061 0.005 A 59 TYR HBx H 1 3.159 0.000 A 59 TYR CA C 13 58.271 0.043 A 59 TYR N N 15 126.761 0.045 A 60 GLU H H 1 8.796 0.004 A 60 GLU HA H 1 3.890 0.004 A 60 GLU HBy H 1 2.122 0.012 A 60 GLU HBx H 1 2.038 0.003 A 60 GLU HGx H 1 2.228 0.009 A 60 GLU HGy H 1 2.228 0.009 A 60 GLU CA C 13 59.244 0.053 A 60 GLU CB C 13 31.145 0.013 A 60 GLU CG C 13 36.608 0.060 A 60 GLU N N 15 120.097 0.030 A 61 ASP H H 1 8.006 0.008 A 61 ASP HA H 1 4.842 0.000 A 61 ASP HBx H 1 2.420 0.005 A 61 ASP HBy H 1 2.995 0.003 A 61 ASP CA C 13 51.550 0.014 A 61 ASP CB C 13 43.258 0.047 A 61 ASP N N 15 117.697 0.048 A 62 GLN H H 1 9.053 0.003 A 62 GLN HA H 1 4.223 0.006 A 62 GLN HBx H 1 2.105 0.006 A 62 GLN HBy H 1 2.195 0.005 A 62 GLN HE2x H 1 6.648 0.017 A 62 GLN HE2y H 1 7.410 0.013 A 62 GLN HGy H 1 2.495 0.003 A 62 GLN HGx H 1 2.430 0.006 A 62 GLN CA C 13 58.637 0.034 A 62 GLN CB C 13 27.994 0.027 A 62 GLN CG C 13 33.454 0.033 A 62 GLN N N 15 126.321 0.032 A 62 GLN NE2 N 15 110.754 0.002 A 63 ARG H H 1 8.960 0.009 A 63 ARG HA H 1 3.654 0.013 A 63 ARG HBx H 1 0.576 0.000 A 63 ARG CA C 13 58.971 0.038 A 63 ARG N N 15 121.086 0.038 A 64 SER H H 1 8.143 0.004 A 64 SER HA H 1 3.704 0.012 A 64 SER HBx H 1 3.160 0.000 A 64 SER HBy H 1 3.160 0.000 A 64 SER CA C 13 63.589 0.044 A 64 SER N N 15 114.891 0.022 A 65 THR H H 1 7.633 0.006 A 65 THR HA H 1 3.765 0.009 A 65 THR HB H 1 4.185 0.006 A 65 THR HG2% H 1 1.574 0.004 A 65 THR CA C 13 66.198 0.051 A 65 THR CB C 13 68.461 0.019 A 65 THR CG2 C 13 23.587 0.039 A 65 THR N N 15 111.019 0.035 A 66 ILE H H 1 6.648 0.005 A 66 ILE HA H 1 3.673 0.006 A 66 ILE HB H 1 2.197 0.007 A 66 ILE HD1% H 1 0.928 0.004 A 66 ILE HG1y H 1 1.655 0.005 A 66 ILE HG1x H 1 1.158 0.000 A 66 ILE HG2% H 1 0.976 0.005 A 66 ILE CA C 13 64.506 0.027 A 66 ILE CB C 13 38.668 0.051 A 66 ILE CD1 C 13 13.712 0.066 A 66 ILE CG1 C 13 28.712 0.012 A 66 ILE CG2 C 13 17.026 0.072 A 66 ILE N N 15 123.242 0.035 A 67 LEU H H 1 6.899 0.003 A 67 LEU HA H 1 3.627 0.006 A 67 LEU HBx H 1 1.135 0.005 A 67 LEU HBy H 1 2.200 0.012 A 67 LEU HDx% H 1 1.142 0.006 A 67 LEU HDy% H 1 0.898 0.005 A 67 LEU HG H 1 1.967 0.000 A 67 LEU CA C 13 57.678 0.049 A 67 LEU CB C 13 41.866 0.000 A 67 LEU CDy C 13 26.425 0.066 A 67 LEU CDx C 13 24.694 0.075 A 67 LEU N N 15 113.375 0.035 A 68 ALA H H 1 8.201 0.003 A 68 ALA HA H 1 3.406 0.005 A 68 ALA HB% H 1 1.744 0.004 A 68 ALA CA C 13 55.643 0.040 A 68 ALA CB C 13 19.395 0.048 A 68 ALA N N 15 120.327 0.046 A 69 VAL H H 1 8.235 0.003 A 69 VAL HA H 1 3.221 0.006 A 69 VAL HB H 1 1.901 0.006 A 69 VAL HGx% H 1 0.842 0.005 A 69 VAL HGy% H 1 0.396 0.004 A 69 VAL CA C 13 67.039 0.057 A 69 VAL CB C 13 31.896 0.019 A 69 VAL CGx C 13 21.191 0.022 A 69 VAL CGy C 13 23.006 0.026 A 69 VAL N N 15 118.977 0.029 A 70 ASP H H 1 8.152 0.003 A 70 ASP HA H 1 3.941 0.007 A 70 ASP HBx H 1 0.987 0.013 A 70 ASP HBy H 1 1.925 0.010 A 70 ASP CA C 13 57.576 0.049 A 70 ASP CB C 13 39.037 0.031 A 70 ASP N N 15 116.894 0.031 A 71 ASN H H 1 7.562 0.006 A 71 ASN HA H 1 5.009 0.010 A 71 ASN HBy H 1 2.465 0.007 A 71 ASN HBx H 1 2.267 0.000 A 71 ASN CA C 13 55.710 0.032 A 71 ASN CB C 13 42.091 0.124 A 71 ASN N N 15 110.936 0.038 A 72 LEU H H 1 8.406 0.005 A 72 LEU HA H 1 4.686 0.002 A 72 LEU HBy H 1 1.884 0.011 A 72 LEU HBx H 1 1.224 0.004 A 72 LEU HDx% H 1 0.198 0.004 A 72 LEU HDy% H 1 0.009 0.005 A 72 LEU HG H 1 1.022 0.000 A 72 LEU CA C 13 54.411 0.021 A 72 LEU CB C 13 42.477 0.033 A 72 LEU CDx C 13 23.079 0.039 A 72 LEU CDy C 13 26.170 0.038 A 72 LEU CG C 13 27.226 0.000 A 72 LEU N N 15 116.460 0.028 A 73 ASN H H 1 6.956 0.004 A 73 ASN HA H 1 4.419 0.007 A 73 ASN HBy H 1 3.069 0.005 A 73 ASN HBx H 1 2.892 0.005 A 73 ASN HD2y H 1 8.105 0.000 A 73 ASN HD2x H 1 7.365 0.000 A 73 ASN CA C 13 56.716 0.044 A 73 ASN CB C 13 39.452 0.045 A 73 ASN N N 15 118.618 0.053 A 73 ASN ND2 N 15 116.093 0.048 A 74 GLY H H 1 9.379 0.004 A 74 GLY HAx H 1 3.664 0.009 A 74 GLY HAy H 1 4.449 0.004 A 74 GLY CA C 13 45.912 0.035 A 74 GLY N N 15 116.095 0.018 A 75 PHE H H 1 8.211 0.005 A 75 PHE HA H 1 4.311 0.009 A 75 PHE HBx H 1 2.719 0.007 A 75 PHE HBy H 1 3.259 0.007 A 75 PHE HDx H 1 6.858 0.005 A 75 PHE HDy H 1 6.858 0.005 A 75 PHE HEx H 1 7.348 0.005 A 75 PHE HEy H 1 7.348 0.005 A 75 PHE HZ H 1 7.436 0.004 A 75 PHE CA C 13 58.979 0.048 A 75 PHE CB C 13 41.709 0.020 A 75 PHE CDx C 13 131.744 0.017 A 75 PHE CDy C 13 131.744 0.017 A 75 PHE CEx C 13 131.795 0.054 A 75 PHE CEy C 13 131.795 0.054 A 75 PHE CZ C 13 129.591 0.042 A 75 PHE N N 15 123.354 0.045 A 76 LYS H H 1 7.648 0.002 A 76 LYS HA H 1 4.598 0.005 A 76 LYS HBy H 1 1.466 0.010 A 76 LYS HBx H 1 1.180 0.005 A 76 LYS HDy H 1 1.560 0.000 A 76 LYS HDx H 1 1.481 0.000 A 76 LYS HEx H 1 2.885 0.001 A 76 LYS HEy H 1 2.885 0.001 A 76 LYS HGy H 1 1.338 0.006 A 76 LYS HGx H 1 0.846 0.007 A 76 LYS CA C 13 56.529 0.038 A 76 LYS CB C 13 33.073 0.025 A 76 LYS CD C 13 29.507 0.010 A 76 LYS CE C 13 41.987 0.022 A 76 LYS CG C 13 25.665 0.031 A 76 LYS N N 15 127.267 0.028 A 77 ILE H H 1 8.100 0.004 A 77 ILE HA H 1 4.406 0.006 A 77 ILE HB H 1 1.938 0.004 A 77 ILE HD1% H 1 1.044 0.007 A 77 ILE HG1x H 1 1.366 0.007 A 77 ILE HG1y H 1 1.771 0.005 A 77 ILE HG2% H 1 1.047 0.006 A 77 ILE CA C 13 60.214 0.042 A 77 ILE CB C 13 40.048 0.044 A 77 ILE CD1 C 13 13.741 0.026 A 77 ILE CG1 C 13 27.166 0.021 A 77 ILE CG2 C 13 17.073 0.023 A 77 ILE N N 15 121.576 0.032 A 78 GLY CA C 13 47.118 0.000 A 79 GLY HAx H 1 3.602 0.013 A 79 GLY HAy H 1 4.205 0.005 A 79 GLY CA C 13 45.171 0.032 A 80 ARG H H 1 7.379 0.006 A 80 ARG HA H 1 4.650 0.002 A 80 ARG HBy H 1 2.006 0.006 A 80 ARG HBx H 1 1.832 0.008 A 80 ARG HDx H 1 2.947 0.006 A 80 ARG HDy H 1 3.092 0.006 A 80 ARG HGx H 1 1.590 0.003 A 80 ARG HGy H 1 1.590 0.003 A 80 ARG CA C 13 54.849 0.043 A 80 ARG CB C 13 33.411 0.012 A 80 ARG CD C 13 43.258 0.033 A 80 ARG CG C 13 27.503 0.011 A 80 ARG N N 15 119.377 0.035 A 81 ALA H H 1 8.734 0.006 A 81 ALA HA H 1 4.137 0.004 A 81 ALA HB% H 1 1.220 0.006 A 81 ALA CA C 13 51.454 0.047 A 81 ALA CB C 13 19.131 0.033 A 81 ALA N N 15 126.782 0.015 A 82 LEU H H 1 8.736 0.004 A 82 LEU HA H 1 4.390 0.007 A 82 LEU HBx H 1 1.313 0.007 A 82 LEU HBy H 1 2.507 0.000 A 82 LEU HDx% H 1 1.136 0.005 A 82 LEU HDy% H 1 0.937 0.005 A 82 LEU HG H 1 2.300 0.010 A 82 LEU CA C 13 56.196 0.000 A 82 LEU CB C 13 43.362 0.040 A 82 LEU CDy C 13 26.481 0.032 A 82 LEU CDx C 13 23.834 0.043 A 82 LEU CG C 13 27.051 0.012 A 82 LEU N N 15 125.769 0.038 A 83 LYS H H 1 7.838 0.004 A 83 LYS HA H 1 5.005 0.008 A 83 LYS HBx H 1 1.707 0.003 A 83 LYS HBy H 1 1.766 0.009 A 83 LYS HDx H 1 1.788 0.005 A 83 LYS HDy H 1 1.788 0.005 A 83 LYS HEx H 1 3.021 0.006 A 83 LYS HEy H 1 3.021 0.006 A 83 LYS HGx H 1 1.478 0.005 A 83 LYS HGy H 1 1.478 0.005 A 83 LYS CA C 13 54.790 0.043 A 83 LYS CB C 13 34.212 0.039 A 83 LYS CD C 13 29.205 0.034 A 83 LYS CE C 13 42.503 0.040 A 83 LYS CG C 13 24.965 0.032 A 83 LYS N N 15 123.851 0.038 A 84 ILE H H 1 8.727 0.002 A 84 ILE HA H 1 5.576 0.008 A 84 ILE HB H 1 1.733 0.007 A 84 ILE HD1% H 1 1.036 0.003 A 84 ILE HG1y H 1 1.519 0.004 A 84 ILE HG1x H 1 1.248 0.007 A 84 ILE HG2% H 1 0.950 0.003 A 84 ILE CA C 13 58.513 0.053 A 84 ILE CB C 13 40.310 0.011 A 84 ILE CD1 C 13 15.531 0.026 A 84 ILE CG1 C 13 27.805 0.016 A 84 ILE CG2 C 13 20.041 0.035 A 84 ILE N N 15 125.629 0.029 A 85 ASP H H 1 8.960 0.005 A 85 ASP HA H 1 5.094 0.010 A 85 ASP HBx H 1 2.474 0.004 A 85 ASP HBy H 1 2.798 0.004 A 85 ASP CA C 13 52.697 0.040 A 85 ASP CB C 13 45.574 0.028 A 85 ASP N N 15 124.427 0.030 A 86 HIS H H 1 8.783 0.004 A 86 HIS HA H 1 4.635 0.000 A 86 HIS HBx H 1 2.885 0.009 A 86 HIS HBy H 1 3.155 0.005 A 86 HIS HD2 H 1 7.123 0.002 A 86 HIS HE1 H 1 7.420 0.003 A 86 HIS CA C 13 58.158 0.072 A 86 HIS CB C 13 31.368 0.028 A 86 HIS CD2 C 13 121.355 0.020 A 86 HIS CE1 C 13 137.945 0.028 A 86 HIS N N 15 121.356 0.036 A 87 THR H H 1 8.032 0.005 A 87 THR HA H 1 4.691 0.000 A 87 THR HB H 1 4.108 0.000 A 87 THR HG2% H 1 1.213 0.004 A 87 THR CA C 13 60.890 0.014 A 87 THR CB C 13 70.215 0.000 A 87 THR CG2 C 13 20.780 0.021 A 87 THR N N 15 114.331 0.017 A 88 PHE H H 1 8.233 0.000 A 88 PHE HA H 1 4.305 0.001 A 88 PHE HBy H 1 3.172 0.005 A 88 PHE HBx H 1 2.944 0.010 A 88 PHE HDx H 1 7.235 0.002 A 88 PHE HDy H 1 7.235 0.002 A 88 PHE HEx H 1 7.312 0.001 A 88 PHE HEy H 1 7.312 0.001 A 88 PHE CA C 13 58.926 0.006 A 88 PHE CB C 13 39.673 0.024 A 88 PHE CDx C 13 131.817 0.023 A 88 PHE CDy C 13 131.817 0.023 A 88 PHE CEx C 13 131.612 0.019 A 88 PHE CEy C 13 131.612 0.019 A 88 PHE N N 15 118.673 0.000 A 89 TYR H H 1 8.246 0.007 A 89 TYR HA H 1 4.193 0.006 A 89 TYR HBx H 1 2.186 0.019 A 89 TYR HBy H 1 2.535 0.013 A 89 TYR HDx H 1 6.174 0.004 A 89 TYR HDy H 1 6.174 0.004 A 89 TYR HEx H 1 6.312 0.003 A 89 TYR HEy H 1 6.312 0.003 A 89 TYR CA C 13 58.510 0.021 A 89 TYR CB C 13 39.993 0.048 A 89 TYR CDx C 13 132.391 0.032 A 89 TYR CDy C 13 132.391 0.032 A 89 TYR CEx C 13 117.613 0.018 A 89 TYR CEy C 13 117.613 0.018 A 89 TYR N N 15 124.182 0.020 A 90 ARG H H 1 7.223 0.011 A 90 ARG HA H 1 4.219 0.007 A 90 ARG HBx H 1 1.439 0.003 A 90 ARG HBy H 1 1.575 0.007 A 90 ARG HDx H 1 3.095 0.003 A 90 ARG HDy H 1 3.095 0.003 A 90 ARG HGx H 1 1.459 0.012 A 90 ARG HGy H 1 1.459 0.012 A 90 ARG CA C 13 52.511 0.000 A 90 ARG CB C 13 31.298 0.011 A 90 ARG CD C 13 43.517 0.015 A 90 ARG CG C 13 26.827 0.000 A 90 ARG N N 15 125.111 0.032 A 91 PRO HA H 1 4.028 0.004 A 91 PRO HBy H 1 2.009 0.008 A 91 PRO HBx H 1 1.717 0.006 A 91 PRO HDx H 1 2.905 0.004 A 91 PRO HDy H 1 3.166 0.007 A 91 PRO HGx H 1 1.638 0.013 A 91 PRO HGy H 1 1.724 0.003 A 91 PRO CA C 13 62.759 0.011 A 91 PRO CB C 13 32.074 0.020 A 91 PRO CD C 13 50.347 0.026 A 91 PRO CG C 13 27.089 0.020 A 94 SER HA H 1 4.466 0.013 A 94 SER HBx H 1 3.873 0.001 A 94 SER HBy H 1 3.873 0.001 A 94 SER CA C 13 58.273 0.052 A 94 SER CB C 13 63.656 0.000 A 95 LEU HA H 1 4.369 0.004 A 95 LEU HBx H 1 1.633 0.004 A 95 LEU HBy H 1 1.675 0.003 A 95 LEU HDx% H 1 0.858 0.002 A 95 LEU HDy% H 1 0.923 0.005 A 95 LEU HG H 1 1.626 0.003 A 95 LEU CA C 13 55.482 0.036 A 95 LEU CB C 13 42.350 0.000 A 95 LEU CDx C 13 23.539 0.016 A 95 LEU CDy C 13 25.012 0.031 A 95 LEU CG C 13 27.155 0.056 A 97 LYS HA H 1 4.197 0.008 A 97 LYS HBx H 1 1.637 0.001 A 97 LYS HBy H 1 1.637 0.001 A 97 LYS HDx H 1 1.623 0.002 A 97 LYS HDy H 1 1.623 0.002 A 97 LYS HEx H 1 2.949 0.000 A 97 LYS HEy H 1 2.949 0.000 A 97 LYS HGx H 1 1.238 0.009 A 97 LYS HGy H 1 1.238 0.009 A 97 LYS CA C 13 56.923 0.000 A 97 LYS CB C 13 32.936 0.022 A 97 LYS CD C 13 28.989 0.011 A 97 LYS CG C 13 24.500 0.000 A 98 TYR H H 1 7.979 0.012 A 98 TYR HA H 1 4.477 0.009 A 98 TYR HBx H 1 2.939 0.000 A 98 TYR HBy H 1 2.989 0.000 A 98 TYR HDx H 1 7.015 0.001 A 98 TYR HDy H 1 7.015 0.001 A 98 TYR HEx H 1 6.800 0.006 A 98 TYR HEy H 1 6.800 0.006 A 98 TYR CA C 13 58.249 0.000 A 98 TYR CB C 13 38.659 0.012 A 98 TYR CDx C 13 133.224 0.015 A 98 TYR CDy C 13 133.224 0.015 A 98 TYR CEx C 13 118.294 0.001 A 98 TYR CEy C 13 118.294 0.001 A 98 TYR N N 15 120.486 0.008 A 99 TYR H H 1 7.918 0.001 A 99 TYR HA H 1 4.455 0.001 A 99 TYR HBy H 1 2.998 0.000 A 99 TYR HBx H 1 2.928 0.000 A 99 TYR HDx H 1 7.077 0.002 A 99 TYR HDy H 1 7.077 0.002 A 99 TYR HEx H 1 6.831 0.002 A 99 TYR HEy H 1 6.831 0.002 A 99 TYR CA C 13 58.281 0.060 A 99 TYR CB C 13 38.902 0.000 A 99 TYR CDx C 13 133.250 0.016 A 99 TYR CDy C 13 133.250 0.016 A 99 TYR CEx C 13 117.703 0.004 A 99 TYR CEy C 13 117.703 0.004 A 99 TYR N N 15 120.784 0.001 A 100 GLU H H 1 8.055 0.003 A 100 GLU HA H 1 4.171 0.000 A 100 GLU CA C 13 56.766 0.024 A 100 GLU N N 15 122.033 0.022 A 101 ALA H H 1 8.040 0.003 A 101 ALA HA H 1 4.283 0.004 A 101 ALA HB% H 1 1.394 0.004 A 101 ALA CA C 13 52.795 0.057 A 101 ALA CB C 13 19.150 0.043 A 101 ALA N N 15 124.629 0.028 A 102 VAL H H 1 7.960 0.003 A 102 VAL HA H 1 4.039 0.003 A 102 VAL HB H 1 2.065 0.006 A 102 VAL HGx% H 1 0.912 0.003 A 102 VAL HGy% H 1 0.913 0.003 A 102 VAL CA C 13 62.675 0.074 A 102 VAL CB C 13 32.610 0.026 A 102 VAL CGx C 13 20.862 0.010 A 102 VAL CGy C 13 21.300 0.010 A 102 VAL N N 15 119.031 0.016 A 103 LYS H H 1 8.207 0.003 A 103 LYS HA H 1 4.258 0.001 A 103 LYS HBy H 1 1.815 0.005 A 103 LYS HBx H 1 1.755 0.005 A 103 LYS HDx H 1 1.672 0.000 A 103 LYS HDy H 1 1.672 0.000 A 103 LYS HEx H 1 3.006 0.000 A 103 LYS HEy H 1 3.006 0.000 A 103 LYS HGx H 1 1.418 0.007 A 103 LYS HGy H 1 1.418 0.007 A 103 LYS CA C 13 56.797 0.063 A 103 LYS CB C 13 33.012 0.039 A 103 LYS CD C 13 28.961 0.000 A 103 LYS CE C 13 42.341 0.000 A 103 LYS CG C 13 24.512 0.000 A 103 LYS N N 15 124.562 0.014 A 104 GLU H H 1 8.325 0.002 A 104 GLU HA H 1 4.263 0.009 A 104 GLU HBx H 1 1.947 0.009 A 104 GLU HBy H 1 2.049 0.005 A 104 GLU HGx H 1 2.262 0.004 A 104 GLU HGy H 1 2.262 0.004 A 104 GLU CA C 13 57.034 0.057 A 104 GLU CB C 13 30.351 0.030 A 104 GLU CG C 13 36.500 0.012 A 104 GLU N N 15 121.722 0.012 A 105 GLU H H 1 8.288 0.007 A 105 GLU HA H 1 4.264 0.008 A 105 GLU HBx H 1 1.946 0.009 A 105 GLU HBy H 1 2.049 0.005 A 105 GLU HGx H 1 2.262 0.004 A 105 GLU HGy H 1 2.262 0.004 A 105 GLU CA C 13 56.802 0.003 A 105 GLU CB C 13 30.351 0.030 A 105 GLU CG C 13 36.500 0.012 A 105 GLU N N 15 121.479 0.056 A 106 LEU H H 1 8.154 0.005 A 106 LEU HA H 1 4.316 0.003 A 106 LEU HBy H 1 1.664 0.003 A 106 LEU HBx H 1 1.578 0.003 A 106 LEU HDx% H 1 0.906 0.015 A 106 LEU HDy% H 1 0.869 0.018 A 106 LEU HG H 1 1.650 0.004 A 106 LEU CA C 13 55.545 0.038 A 106 LEU CB C 13 42.538 0.010 A 106 LEU CDy C 13 25.174 0.000 A 106 LEU CDx C 13 23.590 0.000 A 106 LEU CG C 13 27.041 0.041 A 106 LEU N N 15 122.549 0.018 A 107 ASP H H 1 8.273 0.001 A 107 ASP HA H 1 4.587 0.015 A 107 ASP HBx H 1 2.637 0.007 A 107 ASP HBy H 1 2.745 0.000 A 107 ASP CA C 13 54.715 0.000 A 107 ASP CB C 13 41.125 0.024 A 107 ASP N N 15 120.656 0.025 A 108 ARG H H 1 8.041 0.008 A 108 ARG HA H 1 4.272 0.008 A 108 ARG HBy H 1 1.875 0.007 A 108 ARG HBx H 1 1.798 0.009 A 108 ARG HDy H 1 3.205 0.003 A 108 ARG HDx H 1 3.204 0.003 A 108 ARG HGx H 1 1.629 0.005 A 108 ARG HGy H 1 1.669 0.002 A 108 ARG CA C 13 56.778 0.000 A 108 ARG CB C 13 30.835 0.023 A 108 ARG CD C 13 43.461 0.013 A 108 ARG CG C 13 27.467 0.000 A 108 ARG N N 15 120.710 0.029 A 109 ASP H H 1 8.331 0.003 A 109 ASP HBx H 1 2.636 0.000 A 109 ASP HBy H 1 2.705 0.000 A 109 ASP CA C 13 54.862 0.000 A 109 ASP N N 15 120.647 0.050 A 110 ILE H H 1 7.910 0.002 A 110 ILE HA H 1 4.140 0.004 A 110 ILE HB H 1 1.927 0.008 A 110 ILE HD1% H 1 0.879 0.012 A 110 ILE HG1x H 1 1.204 0.008 A 110 ILE HG1y H 1 1.473 0.007 A 110 ILE HG2% H 1 0.906 0.003 A 110 ILE CA C 13 61.760 0.040 A 110 ILE CB C 13 38.643 0.042 A 110 ILE CD1 C 13 13.034 0.024 A 110 ILE CG1 C 13 27.536 0.008 A 110 ILE CG2 C 13 17.670 0.008 A 110 ILE N N 15 120.220 0.024 A 111 VAL H H 1 8.018 0.007 A 111 VAL HA H 1 4.095 0.003 A 111 VAL HB H 1 2.111 0.001 A 111 VAL HGx% H 1 0.960 0.008 A 111 VAL HGy% H 1 0.961 0.008 A 111 VAL CA C 13 62.982 0.045 A 111 VAL CB C 13 32.438 0.012 A 111 VAL CGy C 13 21.194 0.000 A 111 VAL CGx C 13 21.104 0.077 A 111 VAL N N 15 122.698 0.023 A 112 SER HA H 1 4.439 0.003 A 112 SER HBx H 1 3.887 0.002 A 112 SER HBy H 1 3.887 0.002 A 112 SER CA C 13 58.581 0.000 A 112 SER CB C 13 63.717 0.000 A 114 ASN HA H 1 4.690 0.001 A 114 ASN HBy H 1 2.854 0.005 A 114 ASN HBx H 1 2.779 0.009 A 114 ASN CA C 13 53.462 0.043 A 114 ASN CB C 13 39.073 0.019 A 115 ASN HA H 1 4.690 0.001 A 115 ASN HBy H 1 2.854 0.005 A 115 ASN HBx H 1 2.779 0.009 A 115 ASN CA C 13 53.476 0.040 A 115 ASN CB C 13 39.073 0.019 A 116 ALA H H 1 8.144 0.005 A 116 ALA HA H 1 4.355 0.003 A 116 ALA HB% H 1 1.402 0.003 A 116 ALA CA C 13 52.748 0.040 A 116 ALA CB C 13 19.559 0.000 A 116 ALA N N 15 123.691 0.006 A 117 GLU H H 1 8.234 0.000 A 117 GLU HA H 1 4.284 0.004 A 117 GLU HBx H 1 1.948 0.000 A 117 GLU HBy H 1 1.948 0.000 A 117 GLU HGx H 1 2.248 0.000 A 117 GLU HGy H 1 2.248 0.000 A 117 GLU CA C 13 56.731 0.001 A 117 GLU CB C 13 29.944 0.000 A 117 GLU CG C 13 36.470 0.000 A 117 GLU N N 15 120.174 0.007 A 118 LYS H H 1 7.827 0.002 A 118 LYS HA H 1 4.162 0.006 A 118 LYS HBx H 1 1.720 0.002 A 118 LYS HBy H 1 1.827 0.001 A 118 LYS HDx H 1 1.680 0.004 A 118 LYS HDy H 1 1.680 0.004 A 118 LYS HEx H 1 3.009 0.004 A 118 LYS HEy H 1 3.009 0.004 A 118 LYS HGx H 1 1.394 0.003 A 118 LYS HGy H 1 1.394 0.003 A 118 LYS CA C 13 57.835 0.038 A 118 LYS CB C 13 33.914 0.040 A 118 LYS CD C 13 29.106 0.016 A 118 LYS CE C 13 42.465 0.002 A 118 LYS CG C 13 25.042 0.000 A 118 LYS N N 15 126.990 0.025 B 302 TYR HA H 1 4.631 0.002 B 302 TYR HBy H 1 3.123 0.000 B 302 TYR HBx H 1 2.915 0.002 B 302 TYR HDx H 1 7.139 0.006 B 302 TYR HDy H 1 7.139 0.006 B 302 TYR C C 13 175.467 0.000 B 302 TYR CA C 13 357.681 0.016 B 302 TYR CB C 13 338.686 0.034 B 303 ASP H H 1 8.132 0.007 B 303 ASP HA H 1 4.567 0.003 B 303 ASP HBx H 1 2.615 0.005 B 303 ASP HBy H 1 2.615 0.005 B 303 ASP C C 13 175.543 0.000 B 303 ASP CA C 13 354.531 0.027 B 303 ASP CB C 13 341.273 0.000 B 303 ASP N N 15 421.487 0.032 B 304 LYS H H 1 7.843 0.010 B 304 LYS HA H 1 4.632 0.002 B 304 LYS HBx H 1 1.688 0.004 B 304 LYS HBy H 1 1.814 0.003 B 304 LYS HEx H 1 2.967 0.000 B 304 LYS HEy H 1 2.967 0.000 B 304 LYS HGx H 1 1.407 0.004 B 304 LYS HGy H 1 1.407 0.004 B 304 LYS CA C 13 353.984 0.010 B 304 LYS CB C 13 332.988 0.028 B 304 LYS CE C 13 342.313 0.000 B 304 LYS CG C 13 324.616 0.059 B 304 LYS N N 15 421.437 0.049 B 305 PRO HA H 1 4.463 0.001 B 305 PRO HBx H 1 1.907 0.005 B 305 PRO HBy H 1 2.291 0.002 B 305 PRO HDy H 1 3.768 0.009 B 305 PRO HDx H 1 3.630 0.011 B 305 PRO HGx H 1 2.011 0.002 B 305 PRO HGy H 1 2.039 0.011 B 305 PRO C C 13 176.386 0.000 B 305 PRO CA C 13 363.087 0.051 B 305 PRO CB C 13 332.146 0.029 B 305 PRO CD C 13 350.648 0.050 B 305 PRO CG C 13 327.402 0.025 B 306 ALA H H 1 8.286 0.013 B 306 ALA HA H 1 4.684 0.001 B 306 ALA HB% H 1 1.234 0.013 B 306 ALA CA C 13 350.079 0.045 B 306 ALA CB C 13 318.868 0.055 B 306 ALA N N 15 424.918 0.080 B 307 PRO HA H 1 4.331 0.007 B 307 PRO HBx H 1 1.737 0.007 B 307 PRO HBy H 1 2.085 0.009 B 307 PRO HDx H 1 3.288 0.009 B 307 PRO HDy H 1 3.785 0.011 B 307 PRO HGy H 1 1.641 0.004 B 307 PRO HGx H 1 1.379 0.008 B 307 PRO C C 13 176.320 0.000 B 307 PRO CA C 13 362.665 0.066 B 307 PRO CB C 13 331.831 0.063 B 307 PRO CD C 13 350.145 0.051 B 307 PRO CG C 13 327.195 0.017 B 308 GLU H H 1 8.361 0.013 B 308 GLU HA H 1 4.346 0.011 B 308 GLU HBx H 1 1.715 0.003 B 308 GLU HBy H 1 1.896 0.004 B 308 GLU HGx H 1 2.151 0.014 B 308 GLU HGy H 1 2.175 0.019 B 308 GLU C C 13 176.511 0.000 B 308 GLU CA C 13 356.365 0.041 B 308 GLU CB C 13 330.834 0.044 B 308 GLU CG C 13 336.324 0.038 B 308 GLU N N 15 422.043 0.029 B 309 ASN H H 1 8.739 0.018 B 309 ASN HA H 1 5.325 0.006 B 309 ASN HBx H 1 2.787 0.016 B 309 ASN HBy H 1 2.787 0.016 B 309 ASN C C 13 177.246 0.000 B 309 ASN CA C 13 352.277 0.070 B 309 ASN CB C 13 342.798 0.008 B 309 ASN N N 15 415.308 0.044 B 310 ARG H H 1 9.857 0.018 B 310 ARG HA H 1 3.644 0.005 B 310 ARG HBy H 1 0.351 0.000 B 310 ARG HBx H 1 0.221 0.016 B 310 ARG HDy H 1 1.992 0.007 B 310 ARG HDx H 1 1.026 0.016 B 310 ARG HGy H 1 -0.080 0.000 B 310 ARG HGx H 1 -0.405 0.000 B 310 ARG C C 13 175.728 0.000 B 310 ARG CA C 13 358.124 0.075 B 310 ARG CD C 13 342.623 0.026 B 310 ARG N N 15 419.972 0.040 B 311 PHE H H 1 7.471 0.007 B 311 PHE HA H 1 4.993 0.011 B 311 PHE HBx H 1 3.023 0.019 B 311 PHE HBy H 1 3.398 0.007 B 311 PHE HDx H 1 7.036 0.012 B 311 PHE HDy H 1 7.036 0.012 B 311 PHE HEx H 1 7.160 0.004 B 311 PHE HEy H 1 7.160 0.004 B 311 PHE HZ H 1 7.215 0.003 B 311 PHE C C 13 173.948 0.000 B 311 PHE CA C 13 356.346 0.059 B 311 PHE CB C 13 341.700 0.040 B 311 PHE CDx C 13 131.485 0.032 B 311 PHE CDy C 13 131.485 0.032 B 311 PHE CEx C 13 131.738 0.041 B 311 PHE CEy C 13 131.738 0.041 B 311 PHE N N 15 417.477 0.050 B 312 ALA H H 1 7.867 0.009 B 312 ALA HA H 1 4.233 0.008 B 312 ALA HB% H 1 1.488 0.005 B 312 ALA C C 13 176.616 0.000 B 312 ALA CA C 13 353.052 0.058 B 312 ALA CB C 13 316.774 0.029 B 312 ALA N N 15 422.649 0.028 B 313 ILE H H 1 8.108 0.009 B 313 ILE HA H 1 3.977 0.008 B 313 ILE HB H 1 1.320 0.008 B 313 ILE HD1% H 1 0.633 0.007 B 313 ILE HG1y H 1 1.623 0.003 B 313 ILE HG1x H 1 0.924 0.006 B 313 ILE HG2% H 1 0.780 0.008 B 313 ILE C C 13 177.029 0.000 B 313 ILE CA C 13 362.184 0.062 B 313 ILE CB C 13 339.785 0.036 B 313 ILE CD1 C 13 314.600 0.062 B 313 ILE CG1 C 13 329.288 0.053 B 313 ILE CG2 C 13 317.526 0.058 B 313 ILE N N 15 419.567 0.062 B 314 MET H H 1 8.452 0.012 B 314 MET HBy H 1 2.030 0.012 B 314 MET HBx H 1 1.946 0.010 B 314 MET HE% H 1 2.122 0.005 B 314 MET HGx H 1 2.611 0.015 B 314 MET HGy H 1 2.834 0.009 B 314 MET CB C 13 332.173 0.072 B 314 MET CE C 13 317.645 0.039 B 314 MET CG C 13 332.686 0.084 B 314 MET N N 15 428.252 0.084 B 315 PRO HA H 1 4.144 0.008 B 315 PRO HBy H 1 2.057 0.005 B 315 PRO HBx H 1 1.906 0.007 B 315 PRO HDy H 1 3.769 0.006 B 315 PRO HDx H 1 3.602 0.009 B 315 PRO HGy H 1 1.937 0.017 B 315 PRO HGx H 1 1.758 0.022 B 315 PRO C C 13 178.222 0.000 B 315 PRO CA C 13 362.816 0.031 B 315 PRO CB C 13 333.586 0.069 B 315 PRO CG C 13 327.324 0.049 B 316 GLY H H 1 8.948 0.009 B 316 GLY HAx H 1 4.105 0.000 B 316 GLY HAy H 1 4.146 0.000 B 316 GLY C C 13 176.107 0.000 B 316 GLY N N 15 409.109 0.040 B 317 SER H H 1 8.686 0.012 B 317 SER HA H 1 4.266 0.006 B 317 SER HBx H 1 4.017 0.004 B 317 SER HBy H 1 4.017 0.004 B 317 SER C C 13 176.058 0.000 B 317 SER CA C 13 361.278 0.075 B 317 SER CB C 13 363.618 0.056 B 317 SER N N 15 416.964 0.050 B 318 ARG H H 1 8.933 0.009 B 318 ARG HA H 1 4.402 0.006 B 318 ARG HBy H 1 1.999 0.004 B 318 ARG HBx H 1 1.763 0.010 B 318 ARG HDx H 1 3.165 0.003 B 318 ARG HDy H 1 3.214 0.004 B 318 ARG HGx H 1 1.711 0.003 B 318 ARG HGy H 1 1.749 0.004 B 318 ARG C C 13 176.651 0.000 B 318 ARG CA C 13 355.450 0.008 B 318 ARG CB C 13 329.120 0.057 B 318 ARG CD C 13 342.642 0.023 B 318 ARG CG C 13 327.430 0.021 B 318 ARG N N 15 418.302 0.053 B 319 TRP H H 1 7.611 0.007 B 319 TRP HA H 1 5.289 0.036 B 319 TRP HBy H 1 3.407 0.012 B 319 TRP HBx H 1 2.801 0.031 B 319 TRP HD1 H 1 8.000 0.003 B 319 TRP HE1 H 1 10.341 0.000 B 319 TRP HE3 H 1 7.496 0.007 B 319 TRP HH2 H 1 7.051 0.007 B 319 TRP HZ2 H 1 6.721 0.012 B 319 TRP HZ3 H 1 7.120 0.008 B 319 TRP C C 13 175.985 0.000 B 319 TRP CA C 13 357.804 0.051 B 319 TRP CB C 13 328.163 0.077 B 319 TRP CD1 C 13 127.054 0.054 B 319 TRP CE3 C 13 121.036 0.032 B 319 TRP CH2 C 13 125.550 0.032 B 319 TRP CZ2 C 13 114.109 0.037 B 319 TRP CZ3 C 13 123.195 0.082 B 319 TRP N N 15 419.286 0.058 B 319 TRP NE1 N 15 435.960 0.000 B 320 ASP H H 1 7.560 0.009 B 320 ASP HA H 1 4.281 0.003 B 320 ASP HBy H 1 2.883 0.003 B 320 ASP HBx H 1 2.559 0.005 B 320 ASP CA C 13 353.538 0.040 B 320 ASP CB C 13 340.189 0.029 B 320 ASP N N 15 428.093 0.067 B 321 GLY H H 1 4.577 0.008 B 321 GLY HAx H 1 0.596 0.017 B 321 GLY HAy H 1 3.148 0.010 B 321 GLY CA C 13 344.168 0.025 B 322 VAL H H 1 6.833 0.004 B 322 VAL HA H 1 3.849 0.009 B 322 VAL HB H 1 2.139 0.001 B 322 VAL HGx% H 1 0.632 0.004 B 322 VAL HGy% H 1 0.837 0.004 B 322 VAL C C 13 174.900 0.000 B 322 VAL CA C 13 362.057 0.062 B 322 VAL CB C 13 331.747 0.012 B 322 VAL CGy C 13 321.185 0.037 B 322 VAL CGx C 13 320.420 0.060 B 322 VAL N N 15 422.053 0.052 B 323 HIS H H 1 8.725 0.009 B 323 HIS HA H 1 5.351 0.003 B 323 HIS HBy H 1 3.349 0.010 B 323 HIS HBx H 1 3.230 0.007 B 323 HIS HD2 H 1 7.345 0.014 B 323 HIS HE1 H 1 8.691 0.005 B 323 HIS CA C 13 355.084 0.022 B 323 HIS CB C 13 329.046 0.065 B 323 HIS CD2 C 13 121.252 0.021 B 323 HIS CE1 C 13 137.638 0.066 B 323 HIS N N 15 427.146 0.084 B 324 ARG H H 1 10.703 0.015 B 324 ARG HA H 1 4.028 0.005 B 324 ARG HBy H 1 1.571 0.000 B 324 ARG HBx H 1 0.013 0.000 B 324 ARG HGx H 1 1.225 0.017 B 324 ARG HGy H 1 1.848 0.008 B 324 ARG C C 13 172.956 0.000 B 324 ARG CA C 13 354.964 0.066 B 324 ARG CG C 13 328.290 0.007 B 324 ARG N N 15 433.808 0.084 B 325 SER H H 1 7.738 0.013 B 325 SER HA H 1 4.384 0.001 B 325 SER HBy H 1 4.051 0.009 B 325 SER HBx H 1 3.165 0.015 B 325 SER C C 13 173.472 0.000 B 325 SER CA C 13 356.122 0.044 B 325 SER CB C 13 365.087 0.068 B 325 SER N N 15 415.692 0.049 B 326 ASN H H 1 9.462 0.009 B 326 ASN HA H 1 4.860 0.008 B 326 ASN HBy H 1 3.521 0.007 B 326 ASN HBx H 1 2.605 0.009 B 326 ASN C C 13 176.493 0.000 B 326 ASN CA C 13 353.834 0.064 B 326 ASN CB C 13 338.383 0.076 B 326 ASN N N 15 426.314 0.062 B 327 GLY H H 1 9.424 0.009 B 327 GLY HAy H 1 4.621 0.001 B 327 GLY HAx H 1 3.894 0.008 B 327 GLY C C 13 176.069 0.000 B 327 GLY CA C 13 344.994 0.048 B 327 GLY N N 15 408.559 0.049 B 328 PHE H H 1 8.755 0.010 B 328 PHE HA H 1 3.826 0.007 B 328 PHE HBy H 1 3.580 0.012 B 328 PHE HBx H 1 2.687 0.014 B 328 PHE HDx H 1 7.186 0.017 B 328 PHE HDy H 1 7.186 0.017 B 328 PHE C C 13 178.329 0.000 B 328 PHE CA C 13 363.618 0.061 B 328 PHE CB C 13 339.826 0.067 B 328 PHE CDx C 13 132.589 0.053 B 328 PHE CDy C 13 132.589 0.053 B 328 PHE N N 15 422.843 0.110 B 329 GLU H H 1 8.652 0.010 B 329 GLU HA H 1 4.016 0.007 B 329 GLU HBy H 1 2.762 0.007 B 329 GLU HBx H 1 2.226 0.002 B 329 GLU C C 13 179.236 0.000 B 329 GLU CA C 13 360.826 0.060 B 329 GLU CB C 13 329.690 0.042 B 329 GLU N N 15 421.565 0.049 B 330 GLU H H 1 8.426 0.013 B 330 GLU HA H 1 4.260 0.005 B 330 GLU HBy H 1 2.197 0.011 B 330 GLU HBx H 1 2.152 0.007 B 330 GLU HGx H 1 2.424 0.010 B 330 GLU HGy H 1 2.472 0.006 B 330 GLU C C 13 180.118 0.000 B 330 GLU CA C 13 359.963 0.068 B 330 GLU CB C 13 329.899 0.067 B 330 GLU CG C 13 337.230 0.033 B 330 GLU N N 15 416.359 0.036 B 331 LYS H H 1 7.782 0.010 B 331 LYS HA H 1 4.045 0.003 B 331 LYS HBy H 1 1.766 0.005 B 331 LYS HBx H 1 1.676 0.004 B 331 LYS HDx H 1 1.556 0.007 B 331 LYS HDy H 1 1.607 0.002 B 331 LYS HEx H 1 2.915 0.005 B 331 LYS HEy H 1 2.915 0.005 B 331 LYS HGx H 1 1.307 0.005 B 331 LYS HGy H 1 1.502 0.006 B 331 LYS C C 13 178.497 0.000 B 331 LYS CA C 13 359.222 0.081 B 331 LYS CB C 13 332.041 0.058 B 331 LYS CD C 13 329.284 0.062 B 331 LYS CE C 13 342.334 0.081 B 331 LYS CG C 13 325.487 0.065 B 331 LYS N N 15 420.458 0.041 B 332 TRP H H 1 8.516 0.012 B 332 TRP HA H 1 3.749 0.009 B 332 TRP HBy H 1 3.437 0.008 B 332 TRP HBx H 1 2.755 0.012 B 332 TRP HD1 H 1 6.776 0.006 B 332 TRP HE1 H 1 9.903 0.012 B 332 TRP HE3 H 1 6.622 0.006 B 332 TRP HH2 H 1 7.039 0.011 B 332 TRP HZ2 H 1 7.271 0.007 B 332 TRP HZ3 H 1 6.639 0.006 B 332 TRP C C 13 179.408 0.000 B 332 TRP CA C 13 362.099 0.094 B 332 TRP CB C 13 328.795 0.053 B 332 TRP CD1 C 13 126.342 0.022 B 332 TRP CE3 C 13 120.704 0.073 B 332 TRP CH2 C 13 124.464 0.046 B 332 TRP CZ2 C 13 114.225 0.034 B 332 TRP CZ3 C 13 122.082 0.025 B 332 TRP N N 15 423.160 0.070 B 332 TRP NE1 N 15 428.542 0.096 B 333 PHE H H 1 8.493 0.011 B 333 PHE HA H 1 4.119 0.007 B 333 PHE HBy H 1 3.239 0.008 B 333 PHE HBx H 1 3.087 0.010 B 333 PHE HDx H 1 7.557 0.006 B 333 PHE HDy H 1 7.557 0.006 B 333 PHE HEx H 1 7.316 0.005 B 333 PHE HEy H 1 7.316 0.005 B 333 PHE HZ H 1 6.871 0.004 B 333 PHE C C 13 178.327 0.000 B 333 PHE CA C 13 362.090 0.077 B 333 PHE CB C 13 339.305 0.053 B 333 PHE CDx C 13 132.403 0.019 B 333 PHE CDy C 13 132.403 0.019 B 333 PHE CEx C 13 131.264 0.048 B 333 PHE CEy C 13 131.264 0.048 B 333 PHE CZ C 13 128.948 0.039 B 333 PHE N N 15 417.427 0.063 B 334 ALA H H 1 7.870 0.010 B 334 ALA HA H 1 4.205 0.007 B 334 ALA HB% H 1 1.516 0.005 B 334 ALA C C 13 179.696 0.000 B 334 ALA CA C 13 354.698 0.055 B 334 ALA CB C 13 318.310 0.035 B 334 ALA N N 15 421.894 0.052 B 335 LYS H H 1 7.705 0.015 B 335 LYS HA H 1 4.094 0.011 B 335 LYS HBx H 1 1.687 0.005 B 335 LYS HBy H 1 1.687 0.005 B 335 LYS HDx H 1 1.526 0.004 B 335 LYS HDy H 1 1.526 0.004 B 335 LYS HEx H 1 2.826 0.004 B 335 LYS HEy H 1 2.826 0.004 B 335 LYS HGx H 1 1.341 0.004 B 335 LYS HGy H 1 1.341 0.004 B 335 LYS C C 13 178.022 0.000 B 335 LYS CA C 13 357.508 0.056 B 335 LYS CB C 13 331.926 0.032 B 335 LYS CD C 13 328.700 0.018 B 335 LYS CE C 13 342.085 0.042 B 335 LYS CG C 13 324.563 0.050 B 335 LYS N N 15 417.951 0.043 B 336 GLN H H 1 7.587 0.006 B 336 GLN HA H 1 3.882 0.008 B 336 GLN HBx H 1 1.689 0.007 B 336 GLN HBy H 1 1.934 0.004 B 336 GLN HE2x H 1 6.421 0.000 B 336 GLN HE2y H 1 6.623 0.009 B 336 GLN HGx H 1 1.760 0.006 B 336 GLN HGy H 1 1.874 0.004 B 336 GLN C C 13 176.868 0.000 B 336 GLN CA C 13 356.830 0.082 B 336 GLN CB C 13 328.286 0.063 B 336 GLN CG C 13 333.032 0.072 B 336 GLN N N 15 418.059 0.058 B 336 GLN NE2 N 15 412.160 0.005 B 337 ASN H H 1 7.889 0.009 B 337 ASN HA H 1 4.644 0.000 B 337 ASN HBy H 1 2.850 0.005 B 337 ASN HBx H 1 2.734 0.004 B 337 ASN HD2x H 1 6.873 0.004 B 337 ASN HD2y H 1 7.534 0.004 B 337 ASN C C 13 175.548 0.000 B 337 ASN CA C 13 354.022 0.013 B 337 ASN CB C 13 339.178 0.070 B 337 ASN N N 15 416.922 0.024 B 337 ASN ND2 N 15 412.795 0.004 B 338 GLU H H 1 7.808 0.015 B 338 GLU HA H 1 4.233 0.005 B 338 GLU HBy H 1 2.071 0.016 B 338 GLU HBx H 1 2.014 0.012 B 338 GLU HGy H 1 2.313 0.009 B 338 GLU HGx H 1 2.225 0.008 B 338 GLU C C 13 176.821 0.000 B 338 GLU CA C 13 357.358 0.072 B 338 GLU CB C 13 330.222 0.049 B 338 GLU CG C 13 336.386 0.060 B 338 GLU N N 15 420.249 0.064 B 339 ILE H H 1 7.882 0.009 B 339 ILE HA H 1 4.132 0.021 B 339 ILE HB H 1 1.882 0.006 B 339 ILE HD1% H 1 0.844 0.015 B 339 ILE HG1y H 1 1.469 0.005 B 339 ILE HG1x H 1 1.184 0.006 B 339 ILE HG2% H 1 0.901 0.005 B 339 ILE C C 13 176.288 0.000 B 339 ILE CA C 13 361.770 0.039 B 339 ILE CB C 13 338.695 0.077 B 339 ILE CD1 C 13 313.121 0.031 B 339 ILE CG1 C 13 327.467 0.062 B 339 ILE CG2 C 13 317.615 0.057 B 339 ILE N N 15 419.947 0.044 B 340 ASN H H 1 8.290 0.021 B 340 ASN HA H 1 4.761 0.004 B 340 ASN HBy H 1 2.845 0.004 B 340 ASN HBx H 1 2.744 0.003 B 340 ASN C C 13 174.943 0.000 B 340 ASN CA C 13 353.480 0.056 B 340 ASN CB C 13 339.588 0.161 B 340 ASN N N 15 421.974 0.085 B 341 GLU H H 1 8.177 0.013 B 341 GLU HA H 1 4.314 0.005 B 341 GLU HBy H 1 2.098 0.006 B 341 GLU HBx H 1 1.953 0.004 B 341 GLU HGx H 1 2.257 0.009 B 341 GLU HGy H 1 2.257 0.009 B 341 GLU C C 13 175.367 0.000 B 341 GLU CA C 13 356.784 0.029 B 341 GLU CB C 13 330.166 0.000 B 341 GLU N N 15 421.836 0.052 B 342 LYS H H 1 7.866 0.025 B 342 LYS HA H 1 4.321 0.000 B 342 LYS CA C 13 356.877 0.000 B 342 LYS N N 15 427.245 0.036 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 41 ILE HG2% A 42 LEU H 1.0 1.8 3.90 2 2 A 42 LEU H A 42 LEU HDx% 1.0 1.8 5.53 3 3 A 42 LEU HDx% A 43 SER H 1.0 1.8 5.18 4 4 A 42 LEU HA A 55 ALA HB% 1.0 1.8 4.47 5 5 A 66 ILE H A 66 ILE HD1% 1.0 1.8 3.98 6 6 A 66 ILE HD1% B 311 PHE HE% 1.0 1.8 3.64 7 7 A 12 TYR HA A 12 TYR HD% 1.0 1.8 5.15 8 8 A 12 TYR HA A 58 LYS HA 1.0 1.8 5.27 9 9 A 12 TYR HA A 11 ALA HB% 1.0 1.8 5.22 10 10 A 81 ALA H A 81 ALA HB% 1.0 1.8 3.83 11 11 A 81 ALA HB% A 74 GLY H 1.0 1.8 4.77 12 12 A 66 ILE HA A 86 HIS HE1 1.0 1.8 5.12 13 13 A 66 ILE HA A 68 ALA H 1.0 1.8 5.28 14 14 A 39 ASP HA A 40 VAL H 1.0 1.8 3.82 15 15 A 43 SER H A 42 LEU HDy% 1.0 1.8 5.18 16 16 A 42 LEU H A 42 LEU HDy% 1.0 1.8 5.53 17 17 A 18 LEU H A 18 LEU HDx% 1.0 1.8 4.36 18 18 A 13 ILE HG2% A 14 TYR H 1.0 1.8 4.38 19 19 A 13 ILE HG2% A 13 ILE H 1.0 1.8 4.59 20 20 A 30 VAL HA A 32 SER H 1.0 1.8 5.17 21 21 A 30 VAL HGx% A 31 PHE H 1.0 1.8 4.51 22 22 A 101 ALA HB% A 102 VAL H 1.0 1.8 4.27 23 23 A 101 ALA HB% A 98 TYR HE% 1.0 1.8 4.51 24 24 A 98 TYR HE% A 101 ALA HA 1.0 1.8 6.29 25 25 A 101 ALA HA A 102 VAL HGx% 1.0 1.8 6.60 26 26 A 101 ALA HA A 102 VAL HGy% 1.0 1.8 6.60 27 27 A 101 ALA HB% A 98 TYR HA 1.0 1.8 4.19 28 28 A 101 ALA HB% A 102 VAL HGx% 1.0 1.8 5.47 29 29 A 101 ALA HB% A 102 VAL HGy% 1.0 1.8 5.47 30 30 A 101 ALA HB% A 98 TYR HD% 1.0 1.8 4.98 31 31 A 89 TYR HE% A 91 PRO HA 1.0 1.8 4.76 32 32 A 102 VAL HA A 102 VAL HGx% 1.0 1.8 3.58 33 33 A 101 ALA HB% A 102 VAL HA 1.0 1.8 4.39 34 34 A 98 TYR HA A 101 ALA H 1.0 1.8 5.50 35 35 A 111 VAL HA A 111 VAL HGx% 1.0 1.8 4.14 36 36 A 111 VAL HA A 111 VAL HGy% 1.0 1.8 4.14 37 37 A 13 ILE HG2% A 13 ILE HA 1.0 1.8 3.96 38 38 A 66 ILE H A 13 ILE HG2% 1.0 1.8 5.63 39 39 A 13 ILE HG2% A 86 HIS HD2 1.0 1.8 5.97 40 40 A 86 HIS HE1 A 13 ILE HG2% 1.0 1.8 6.36 41 41 A 13 ILE HG2% A 65 THR H 1.0 1.8 5.35 42 42 A 13 ILE HG2% A 87 THR H 1.0 1.8 5.01 43 43 A 13 ILE HG2% A 68 ALA H 1.0 1.8 6.06 44 44 A 13 ILE HG2% A 65 THR HB 1.0 1.8 3.99 45 45 A 13 ILE HG2% A 65 THR HA 1.0 1.8 4.22 46 46 A 13 ILE HG2% A 86 HIS HBx 1.0 1.8 6.60 47 47 A 13 ILE HG2% A 86 HIS HBy 1.0 1.8 6.60 48 48 A 13 ILE HG2% A 65 THR HG2% 1.0 1.8 3.62 49 49 A 13 ILE HG2% A 15 ILE HD1% 1.0 1.8 5.37 50 50 A 41 ILE HD1% A 89 TYR HD% 1.0 1.8 4.95 51 51 A 15 ILE HD1% A 13 ILE HD1% 1.0 1.8 3.98 52 52 A 13 ILE HD1% A 31 PHE HE% 1.0 1.8 4.07 53 53 A 41 ILE HD1% A 12 TYR HE% 1.0 1.8 3.86 54 54 A 13 ILE HD1% A 13 ILE H 1.0 1.8 4.79 55 55 A 13 ILE HD1% A 68 ALA H 1.0 1.8 5.86 56 56 A 13 ILE HD1% A 69 VAL H 1.0 1.8 6.21 57 57 A 13 ILE HD1% A 57 LEU HDx% 1.0 1.8 4.58 58 58 A 13 ILE HD1% A 13 ILE HB 1.0 1.8 3.64 59 59 A 65 THR HA A 13 ILE HD1% 1.0 1.8 4.99 60 60 A 73 ASN H A 73 ASN HBx 1.0 1.8 4.26 61 61 A 73 ASN H A 73 ASN HBy 1.0 1.8 4.31 62 62 A 74 GLY H A 73 ASN HBy 1.0 1.8 5.40 63 63 A 74 GLY H A 73 ASN HBx 1.0 1.8 5.19 64 64 A 73 ASN HBx A 84 ILE HD1% 1.0 1.8 6.32 65 65 A 73 ASN HBy A 84 ILE HB 1.0 1.8 4.81 66 66 A 73 ASN HBx A 84 ILE HB 1.0 1.8 5.25 67 67 A 73 ASN HA A 84 ILE H 1.0 1.8 5.38 68 68 A 15 ILE HD1% A 31 PHE HE% 1.0 1.8 4.28 69 69 A 15 ILE HD1% A 15 ILE HA 1.0 1.8 4.59 70 70 A 15 ILE HD1% A 14 TYR HA 1.0 1.8 5.04 71 71 A 15 ILE HD1% A 57 LEU HA 1.0 1.8 4.97 72 72 A 15 ILE HD1% A 56 TYR HA 1.0 1.8 4.84 73 73 A 15 ILE HD1% A 15 ILE H 1.0 1.8 4.47 74 74 A 15 ILE HD1% A 57 LEU H 1.0 1.8 4.55 75 75 A 15 ILE HD1% A 85 ASP H 1.0 1.8 6.09 76 76 A 15 ILE HD1% A 14 TYR H 1.0 1.8 6.08 77 77 A 15 ILE HD1% A 55 ALA H 1.0 1.8 6.37 78 78 A 15 ILE HD1% A 13 ILE H 1.0 1.8 5.51 79 79 A 15 ILE HD1% A 16 GLY H 1.0 1.8 6.15 80 80 A 15 ILE HD1% A 27 ILE HA 1.0 1.8 5.95 81 81 A 15 ILE HD1% A 57 LEU HG 1.0 1.8 4.16 82 82 A 15 ILE HD1% A 15 ILE HB 1.0 1.8 4.04 83 83 A 15 ILE HD1% A 15 ILE HG2% 1.0 1.8 3.45 84 84 A 15 ILE HD1% A 27 ILE HG2% 1.0 1.8 3.41 85 85 A 15 ILE HD1% A 13 ILE HB 1.0 1.8 4.37 86 86 A 15 ILE HD1% A 27 ILE HB 1.0 1.8 5.53 87 87 A 15 ILE HD1% A 40 VAL HB 1.0 1.8 6.39 88 88 A 15 ILE HG2% A 83 LYS HBy 1.0 1.8 5.25 89 89 A 15 ILE HA A 15 ILE HG2% 1.0 1.8 4.08 90 90 A 15 ILE HG2% A 82 LEU HA 1.0 1.8 4.75 91 91 A 14 TYR HA A 15 ILE HG2% 1.0 1.8 6.04 92 92 A 15 ILE HG2% A 84 ILE HA 1.0 1.8 5.12 93 93 A 15 ILE HG2% A 54 PHE HA 1.0 1.8 5.97 94 94 A 31 PHE HE% A 15 ILE HG2% 1.0 1.8 4.32 95 95 A 18 LEU H A 15 ILE HG2% 1.0 1.8 4.79 96 96 A 15 ILE HG2% A 83 LYS H 1.0 1.8 5.19 97 97 A 15 ILE HG2% A 15 ILE H 1.0 1.8 4.60 98 98 A 15 ILE HG2% A 19 ASN H 1.0 1.8 6.60 99 99 A 84 ILE H A 15 ILE HG2% 1.0 1.8 6.60 100 100 A 15 ILE HG2% A 55 ALA H 1.0 1.8 5.48 101 101 A 15 ILE HG2% A 85 ASP H 1.0 1.8 6.30 102 102 A 16 GLY H A 15 ILE HG2% 1.0 1.8 4.42 103 103 A 15 ILE HG2% A 14 TYR HD% 1.0 1.8 5.76 104 104 A 55 ALA HB% A 15 ILE HB 1.0 1.8 4.80 105 105 A 18 LEU HA A 18 LEU HDy% 1.0 1.8 4.73 106 106 A 54 PHE HA A 18 LEU HDy% 1.0 1.8 4.95 107 107 A 18 LEU H A 18 LEU HDy% 1.0 1.8 4.36 108 108 A 19 ASN H A 18 LEU HDy% 1.0 1.8 5.14 109 109 A 24 GLU HA A 42 LEU HDy% 1.0 1.8 4.47 110 110 A 18 LEU HA A 18 LEU HDx% 1.0 1.8 4.73 111 111 A 54 PHE HA A 18 LEU HDx% 1.0 1.8 4.95 112 112 A 54 PHE H A 18 LEU HDx% 1.0 1.8 5.07 113 113 A 19 ASN H A 18 LEU HDx% 1.0 1.8 5.14 114 114 A 18 LEU H A 18 LEU HG 1.0 1.8 5.52 115 115 A 22 LEU HG A 19 ASN HBy 1.0 1.8 5.52 116 116 A 22 LEU HG A 19 ASN HBx 1.0 1.8 5.52 117 117 A 19 ASN H A 19 ASN HBy 1.0 1.8 4.58 118 118 A 19 ASN H A 19 ASN HBx 1.0 1.8 4.58 119 119 A 22 LEU HDx% A 19 ASN HBx 1.0 1.8 5.21 120 120 A 22 LEU HDx% A 19 ASN HBy 1.0 1.8 5.21 121 121 A 22 LEU HA A 22 LEU HDx% 1.0 1.8 4.74 122 122 A 22 LEU HA A 22 LEU HDy% 1.0 1.8 4.74 123 123 A 22 LEU HDx% A 26 ASP HBy 1.0 1.8 6.78 124 124 A 19 ASN HBx A 22 LEU HDy% 1.0 1.8 5.21 125 125 A 19 ASN HBy A 22 LEU HDy% 1.0 1.8 5.21 126 126 A 22 LEU HDy% A 26 ASP HBy 1.0 1.8 6.78 127 127 A 22 LEU H A 22 LEU HDy% 1.0 1.8 4.95 128 128 A 19 ASN H A 22 LEU HDy% 1.0 1.8 4.79 129 129 A 21 GLU H A 22 LEU HDy% 1.0 1.8 6.14 130 130 A 23 THR H A 22 LEU HDy% 1.0 1.8 5.56 131 131 A 22 LEU H A 22 LEU HDx% 1.0 1.8 4.95 132 132 A 21 GLU H A 22 LEU HDx% 1.0 1.8 6.14 133 133 A 19 ASN H A 22 LEU HDx% 1.0 1.8 4.79 134 134 A 23 THR H A 22 LEU HDx% 1.0 1.8 5.56 135 135 A 41 ILE HG2% A 41 ILE H 1.0 1.8 4.43 136 136 A 23 THR H A 23 THR HG2% 1.0 1.8 4.30 137 137 A 23 THR HG2% A 24 GLU H 1.0 1.8 4.71 138 138 A 23 THR HG2% A 23 THR HA 1.0 1.8 3.98 139 139 A 24 GLU HA A 27 ILE H 1.0 1.8 5.27 140 140 A 27 ILE HA A 15 ILE HG2% 1.0 1.8 6.53 141 141 A 27 ILE H A 27 ILE HG1y 1.0 1.8 5.07 142 142 A 27 ILE H A 27 ILE HG1x 1.0 1.8 5.07 143 143 A 27 ILE HG2% A 57 LEU HDx% 1.0 1.8 5.12 144 144 A 27 ILE HG2% A 27 ILE HG1x 1.0 1.8 3.95 145 145 A 57 LEU HG A 27 ILE HG2% 1.0 1.8 4.68 146 146 A 27 ILE HG2% A 27 ILE HG1y 1.0 1.8 3.95 147 147 A 27 ILE HG2% A 40 VAL HGx% 1.0 1.8 4.46 148 148 A 27 ILE HG2% A 30 VAL HB 1.0 1.8 4.70 149 149 A 27 ILE HG2% A 31 PHE HBx 1.0 1.8 5.19 150 150 A 27 ILE HG2% A 31 PHE HBy 1.0 1.8 5.19 151 151 A 27 ILE HA A 27 ILE HG2% 1.0 1.8 3.87 152 152 A 31 PHE HE% A 27 ILE HG2% 1.0 1.8 4.43 153 153 A 27 ILE HG2% A 31 PHE HD% 1.0 1.8 3.76 154 154 A 27 ILE HG2% A 28 LEU H 1.0 1.8 4.51 155 155 A 27 ILE HG2% A 31 PHE H 1.0 1.8 4.76 156 156 A 57 LEU HA A 27 ILE HG2% 1.0 1.8 5.35 157 157 A 15 ILE HD1% A 27 ILE HD1% 1.0 1.8 4.29 158 158 A 27 ILE HB A 27 ILE HD1% 1.0 1.8 3.64 159 159 A 15 ILE HB A 27 ILE HD1% 1.0 1.8 4.61 160 160 A 24 GLU HA A 27 ILE HD1% 1.0 1.8 3.71 161 161 A 31 PHE HE% A 27 ILE HD1% 1.0 1.8 6.08 162 162 A 27 ILE H A 27 ILE HD1% 1.0 1.8 3.96 163 163 A 28 LEU H A 27 ILE HD1% 1.0 1.8 5.04 164 164 A 28 LEU H A 28 LEU HG 1.0 1.8 4.48 165 165 A 28 LEU H A 28 LEU HDy% 1.0 1.8 4.69 166 166 A 29 THR H A 28 LEU HDy% 1.0 1.8 5.42 167 167 A 28 LEU HA A 28 LEU HDy% 1.0 1.8 4.79 168 168 A 28 LEU HBy A 28 LEU HDy% 1.0 1.8 3.73 169 169 A 28 LEU HBx A 28 LEU HDy% 1.0 1.8 3.72 170 170 A 28 LEU HBx A 28 LEU HDx% 1.0 1.8 3.72 171 171 A 28 LEU HBy A 28 LEU HDx% 1.0 1.8 3.73 172 172 A 28 LEU HA A 28 LEU HDx% 1.0 1.8 4.79 173 173 A 28 LEU HDx% A 29 THR H 1.0 1.8 5.42 174 174 A 28 LEU H A 28 LEU HDx% 1.0 1.8 4.69 175 175 A 29 THR HB A 30 VAL H 1.0 1.8 4.69 176 176 A 29 THR HG2% B 320 ASP HBx 1.0 1.8 4.84 177 177 A 29 THR HG2% B 320 ASP HBy 1.0 1.8 4.91 178 178 A 29 THR HG2% A 29 THR HA 1.0 1.8 3.73 179 179 A 29 THR HG2% B 322 VAL HGy% 1.0 1.8 4.66 180 180 A 29 THR HG2% A 30 VAL HGx% 1.0 1.8 5.91 181 181 A 29 THR HG2% B 322 VAL HGx% 1.0 1.8 4.66 182 182 A 29 THR HG2% B 320 ASP H 1.0 1.8 3.94 183 183 A 29 THR HG2% A 29 THR H 1.0 1.8 4.25 184 184 A 29 THR HG2% A 30 VAL H 1.0 1.8 4.29 185 185 A 30 VAL HGy% A 72 LEU HDy% 1.0 1.8 6.60 186 186 A 72 LEU HDx% A 30 VAL HGy% 1.0 1.8 6.60 187 187 A 29 THR HG2% A 30 VAL HGy% 1.0 1.8 5.91 188 188 A 27 ILE HA A 30 VAL HGy% 1.0 1.8 4.87 189 189 A 30 VAL HA A 30 VAL HGy% 1.0 1.8 4.15 190 190 A 30 VAL H A 30 VAL HGy% 1.0 1.8 4.31 191 191 A 31 PHE H A 30 VAL HGy% 1.0 1.8 4.51 192 192 A 32 SER H A 30 VAL HGy% 1.0 1.8 5.60 193 193 A 30 VAL HGx% A 72 LEU HDy% 1.0 1.8 6.60 194 194 A 27 ILE HA A 30 VAL HGx% 1.0 1.8 4.87 195 195 A 30 VAL HA A 30 VAL HGx% 1.0 1.8 4.15 196 196 A 30 VAL HGx% A 30 VAL H 1.0 1.8 4.31 197 197 A 31 PHE HD% A 30 VAL HGx% 1.0 1.8 4.83 198 198 A 30 VAL HGx% A 32 SER H 1.0 1.8 5.60 199 199 A 31 PHE HA A 72 LEU HDx% 1.0 1.8 5.52 200 200 A 36 VAL H A 36 VAL HGy% 1.0 1.8 4.55 201 201 A 36 VAL H A 36 VAL HGx% 1.0 1.8 4.55 202 202 A 38 VAL HB A 39 ASP H 1.0 1.8 5.41 203 203 A 38 VAL HA A 38 VAL HGy% 1.0 1.8 3.70 204 204 A 60 GLU H A 38 VAL HGy% 1.0 1.8 4.61 205 205 A 38 VAL H A 38 VAL HGy% 1.0 1.8 4.19 206 206 A 39 ASP H A 38 VAL HGy% 1.0 1.8 4.32 207 207 A 60 GLU HA A 38 VAL HGx% 1.0 1.8 4.66 208 208 A 38 VAL HA A 38 VAL HGx% 1.0 1.8 3.70 209 209 A 59 TYR HA A 38 VAL HGx% 1.0 1.8 5.26 210 210 A 38 VAL HGx% A 39 ASP H 1.0 1.8 4.32 211 211 A 60 GLU H A 38 VAL HGx% 1.0 1.8 4.61 212 212 A 38 VAL H A 38 VAL HGx% 1.0 1.8 4.19 213 213 A 40 VAL H A 40 VAL HB 1.0 1.8 4.60 214 214 A 27 ILE HG2% A 40 VAL HB 1.0 1.8 5.90 215 215 A 40 VAL HB A 27 ILE HD1% 1.0 1.8 6.39 216 216 A 28 LEU HG A 40 VAL HGy% 1.0 1.8 4.74 217 217 A 27 ILE HG2% A 40 VAL HGy% 1.0 1.8 4.46 218 218 A 27 ILE HD1% A 40 VAL HGy% 1.0 1.8 4.62 219 219 A 57 LEU HDx% A 40 VAL HGy% 1.0 1.8 6.37 220 220 A 15 ILE HD1% A 40 VAL HGy% 1.0 1.8 6.16 221 221 A 40 VAL HGy% A 57 LEU HDy% 1.0 1.8 6.37 222 222 A 24 GLU HA A 40 VAL HGy% 1.0 1.8 5.49 223 223 A 28 LEU HA A 40 VAL HGy% 1.0 1.8 6.08 224 224 A 40 VAL HA A 40 VAL HGy% 1.0 1.8 3.95 225 225 A 57 LEU HA A 40 VAL HGy% 1.0 1.8 4.77 226 226 A 39 ASP HA A 40 VAL HGy% 1.0 1.8 5.71 227 227 A 40 VAL H A 40 VAL HGy% 1.0 1.8 4.36 228 228 A 28 LEU H A 40 VAL HGy% 1.0 1.8 5.25 229 229 A 41 ILE H A 40 VAL HGy% 1.0 1.8 4.37 230 230 A 57 LEU HDx% A 40 VAL HGx% 1.0 1.8 6.37 231 231 A 27 ILE HD1% A 40 VAL HGx% 1.0 1.8 4.62 232 232 A 40 VAL HGx% A 57 LEU HDy% 1.0 1.8 6.37 233 233 A 15 ILE HD1% A 40 VAL HGx% 1.0 1.8 6.16 234 234 A 28 LEU HG A 40 VAL HGx% 1.0 1.8 4.74 235 235 A 28 LEU HA A 40 VAL HGx% 1.0 1.8 6.08 236 236 A 24 GLU HA A 40 VAL HGx% 1.0 1.8 5.49 237 237 A 40 VAL HA A 40 VAL HGx% 1.0 1.8 3.95 238 238 A 57 LEU HA A 40 VAL HGx% 1.0 1.8 4.77 239 239 A 39 ASP HA A 40 VAL HGx% 1.0 1.8 5.71 240 240 A 40 VAL HGx% A 41 ILE H 1.0 1.8 4.37 241 241 A 28 LEU H A 40 VAL HGx% 1.0 1.8 5.25 242 242 A 40 VAL HGx% A 57 LEU H 1.0 1.8 6.04 243 243 A 40 VAL H A 40 VAL HGx% 1.0 1.8 4.36 244 244 A 41 ILE HG2% A 41 ILE HG1y 1.0 1.8 3.56 245 245 A 41 ILE HG2% A 41 ILE HA 1.0 1.8 3.51 246 246 A 41 ILE HG2% A 55 ALA HA 1.0 1.8 4.95 247 247 A 41 ILE HG2% A 43 SER H 1.0 1.8 5.21 248 248 A 41 ILE HD1% A 56 TYR HBy 1.0 1.8 4.18 249 249 A 41 ILE HD1% A 41 ILE HB 1.0 1.8 3.53 250 250 A 41 ILE HD1% A 56 TYR HBx 1.0 1.8 4.18 251 251 A 41 ILE HD1% A 91 PRO HDy 1.0 1.8 6.26 252 252 A 41 ILE HD1% A 41 ILE HA 1.0 1.8 4.38 253 253 A 65 THR HB A 13 ILE HD1% 1.0 1.8 5.53 254 254 A 13 ILE HA A 13 ILE HD1% 1.0 1.8 4.81 255 255 A 89 TYR HE% A 41 ILE HD1% 1.0 1.8 4.02 256 256 A 41 ILE HG2% A 89 TYR HE% 1.0 1.8 5.02 257 257 A 41 ILE HD1% A 56 TYR H 1.0 1.8 5.26 258 258 A 13 ILE HD1% A 57 LEU H 1.0 1.8 5.74 259 259 A 41 ILE HD1% A 41 ILE H 1.0 1.8 4.32 260 260 A 41 ILE HB A 56 TYR H 1.0 1.8 5.12 261 261 A 41 ILE HG1x A 41 ILE H 1.0 1.8 5.04 262 262 A 41 ILE HG1y A 41 ILE H 1.0 1.8 5.05 263 263 A 41 ILE HA A 41 ILE HG1x 1.0 1.8 4.44 264 264 A 41 ILE HG1y A 41 ILE HA 1.0 1.8 4.62 265 265 A 54 PHE H A 18 LEU HDy% 1.0 1.8 5.07 266 266 A 55 ALA HA A 42 LEU HDy% 1.0 1.8 5.29 267 267 A 42 LEU HA A 42 LEU HDy% 1.0 1.8 4.31 268 268 A 24 GLU HGx A 42 LEU HDy% 1.0 1.8 4.74 269 269 A 24 GLU HGy A 42 LEU HDy% 1.0 1.8 4.74 270 270 A 42 LEU HDx% A 24 GLU HGy 1.0 1.8 4.74 271 271 A 42 LEU HDx% A 24 GLU HGx 1.0 1.8 4.74 272 272 A 24 GLU HA A 42 LEU HDx% 1.0 1.8 4.47 273 273 A 42 LEU HA A 42 LEU HDx% 1.0 1.8 4.31 274 274 A 41 ILE HG2% A 43 SER HA 1.0 1.8 5.36 275 275 A 42 LEU HA A 43 SER HBy 1.0 1.8 5.65 276 276 A 42 LEU HA A 43 SER HBx 1.0 1.8 5.65 277 277 A 43 SER H A 43 SER HBx 1.0 1.8 4.57 278 278 A 43 SER HBy A 43 SER H 1.0 1.8 4.57 279 279 A 54 PHE HE% A 43 SER HBx 1.0 1.8 5.25 280 280 A 54 PHE HE% A 43 SER HBy 1.0 1.8 5.25 281 281 A 48 THR H A 47 ASN HBx 1.0 1.8 5.16 282 282 A 48 THR H A 47 ASN HBy 1.0 1.8 5.16 283 283 A 48 THR HA A 48 THR HG2% 1.0 1.8 3.76 284 284 A 48 THR HG2% A 49 GLY HAy 1.0 1.8 5.49 285 285 A 48 THR HG2% A 49 GLY HAx 1.0 1.8 5.49 286 286 A 18 LEU HG A 53 GLY HAx 1.0 1.8 6.60 287 287 A 18 LEU HG A 53 GLY HAy 1.0 1.8 6.60 288 288 A 15 ILE HB A 54 PHE HA 1.0 1.8 6.45 289 289 A 54 PHE HA A 18 LEU HG 1.0 1.8 6.60 290 290 A 54 PHE HBx A 55 ALA H 1.0 1.8 5.50 291 291 A 55 ALA H A 54 PHE HBy 1.0 1.8 5.50 292 292 A 42 LEU HA A 55 ALA HA 1.0 1.8 4.89 293 293 A 55 ALA HA A 42 LEU HDx% 1.0 1.8 5.29 294 294 A 55 ALA HB% A 15 ILE HD1% 1.0 1.8 4.30 295 295 A 55 ALA HB% A 56 TYR H 1.0 1.8 3.82 296 296 A 55 ALA HB% A 15 ILE H 1.0 1.8 5.14 297 297 A 55 ALA HB% A 43 SER H 1.0 1.8 4.27 298 298 A 42 LEU H A 55 ALA HB% 1.0 1.8 4.82 299 299 A 55 ALA HB% A 54 PHE HA 1.0 1.8 4.80 300 300 A 55 ALA HB% A 56 TYR HA 1.0 1.8 5.09 301 301 A 56 TYR HA A 56 TYR HD% 1.0 1.8 4.91 302 302 A 41 ILE HG2% A 56 TYR HA 1.0 1.8 6.08 303 303 A 37 PRO HGx A 57 LEU HDy% 1.0 1.8 5.49 304 304 A 37 PRO HBy A 57 LEU HDy% 1.0 1.8 5.29 305 305 A 37 PRO HBx A 57 LEU HDy% 1.0 1.8 5.29 306 306 A 13 ILE HD1% A 57 LEU HDy% 1.0 1.8 4.58 307 307 A 27 ILE HG2% A 57 LEU HDy% 1.0 1.8 5.12 308 308 A 31 PHE HBx A 57 LEU HDy% 1.0 1.8 6.51 309 309 A 58 LYS HA A 57 LEU HDy% 1.0 1.8 6.60 310 310 A 57 LEU HA A 57 LEU HDy% 1.0 1.8 4.75 311 311 A 58 LYS H A 57 LEU HDy% 1.0 1.8 5.86 312 312 A 31 PHE HD% A 57 LEU HDy% 1.0 1.8 4.68 313 313 A 31 PHE HE% A 57 LEU HDy% 1.0 1.8 5.36 314 314 A 57 LEU HDx% A 37 PRO HGx 1.0 1.8 5.49 315 315 A 57 LEU HDx% A 37 PRO HBx 1.0 1.8 5.29 316 316 A 57 LEU HDx% A 31 PHE HBx 1.0 1.8 6.51 317 317 A 57 LEU HDx% A 31 PHE HBy 1.0 1.8 6.51 318 318 A 57 LEU HA A 57 LEU HDx% 1.0 1.8 4.75 319 319 A 58 LYS HA A 57 LEU HDx% 1.0 1.8 6.60 320 320 A 31 PHE HE% A 57 LEU HDx% 1.0 1.8 5.36 321 321 A 57 LEU HDx% A 58 LYS H 1.0 1.8 5.86 322 322 A 60 GLU HA A 60 GLU HGx 1.0 1.8 4.50 323 323 A 60 GLU HA A 60 GLU HGy 1.0 1.8 4.50 324 324 A 60 GLU HGx A 38 VAL HGy% 1.0 1.8 6.16 325 325 A 38 VAL HGy% A 60 GLU HGy 1.0 1.8 6.16 326 326 A 38 VAL HGx% A 60 GLU HGx 1.0 1.8 6.16 327 327 A 38 VAL HGx% A 60 GLU HGy 1.0 1.8 6.16 328 328 A 60 GLU H A 60 GLU HGx 1.0 1.8 5.81 329 329 A 60 GLU H A 60 GLU HGy 1.0 1.8 5.81 330 330 A 61 ASP H A 60 GLU HGx 1.0 1.8 6.60 331 331 A 61 ASP H A 60 GLU HGy 1.0 1.8 6.60 332 332 A 60 GLU HA A 38 VAL HGy% 1.0 1.8 4.66 333 333 A 65 THR HA A 65 THR HG2% 1.0 1.8 4.07 334 334 A 13 ILE HA A 65 THR HG2% 1.0 1.8 5.51 335 335 A 65 THR HG2% A 59 TYR HA 1.0 1.8 6.37 336 336 A 66 ILE H A 65 THR HG2% 1.0 1.8 4.38 337 337 A 65 THR H A 65 THR HG2% 1.0 1.8 4.37 338 338 A 86 HIS HE1 A 65 THR HG2% 1.0 1.8 6.60 339 339 A 65 THR HG2% A 59 TYR H 1.0 1.8 4.97 340 340 A 67 LEU HA B 311 PHE HZ 1.0 1.8 5.39 341 341 A 67 LEU HDy% A 67 LEU H 1.0 1.8 4.61 342 342 A 67 LEU HDy% A 68 ALA H 1.0 1.8 5.50 343 343 A 67 LEU HDy% B 313 ILE H 1.0 1.8 4.62 344 344 A 67 LEU HDy% A 34 TYR HD% 1.0 1.8 4.88 345 345 B 311 PHE HE% A 67 LEU HDx% 1.0 1.8 4.20 346 346 A 66 ILE HA A 69 VAL HB 1.0 1.8 5.17 347 347 A 66 ILE HD1% A 63 ARG HA 1.0 1.8 3.66 348 348 A 66 ILE HD1% A 66 ILE HB 1.0 1.8 3.75 349 349 A 66 ILE HD1% A 67 LEU H 1.0 1.8 4.77 350 350 A 66 ILE HD1% A 86 HIS HE1 1.0 1.8 5.02 351 351 A 66 ILE HD1% A 65 THR H 1.0 1.8 5.76 352 352 A 66 ILE HD1% A 64 SER H 1.0 1.8 6.12 353 353 A 66 ILE HG2% A 67 LEU HG 1.0 1.8 4.52 354 354 A 66 ILE HA A 66 ILE HG2% 1.0 1.8 3.74 355 355 A 66 ILE H A 66 ILE HG2% 1.0 1.8 4.26 356 356 A 86 HIS HE1 A 66 ILE HG2% 1.0 1.8 5.86 357 357 B 311 PHE HE% A 66 ILE HG2% 1.0 1.8 3.67 358 358 A 66 ILE HG2% A 67 LEU H 1.0 1.8 4.38 359 359 A 66 ILE HG2% A 68 ALA H 1.0 1.8 5.75 360 360 A 66 ILE HB A 67 LEU H 1.0 1.8 5.33 361 361 A 68 ALA HA A 72 LEU HDy% 1.0 1.8 5.15 362 362 A 68 ALA HA A 72 LEU HG 1.0 1.8 6.46 363 363 A 68 ALA HA A 72 LEU H 1.0 1.8 5.56 364 364 A 68 ALA HB% A 72 LEU HDy% 1.0 1.8 4.65 365 365 A 68 ALA HB% A 84 ILE HG2% 1.0 1.8 3.95 366 366 A 13 ILE HD1% A 68 ALA HB% 1.0 1.8 3.70 367 367 A 73 ASN HBy A 68 ALA HB% 1.0 1.8 6.50 368 368 A 65 THR HA A 68 ALA HB% 1.0 1.8 4.55 369 369 A 67 LEU HA A 68 ALA HB% 1.0 1.8 5.67 370 370 A 34 TYR HD% A 68 ALA HB% 1.0 1.8 4.96 371 371 A 31 PHE HE% A 68 ALA HB% 1.0 1.8 4.29 372 372 A 68 ALA HB% A 68 ALA H 1.0 1.8 3.81 373 373 A 68 ALA HB% A 69 VAL H 1.0 1.8 4.21 374 374 A 31 PHE HD% A 68 ALA HB% 1.0 1.8 4.26 375 375 A 72 LEU H A 68 ALA HB% 1.0 1.8 5.14 376 376 A 31 PHE HA A 68 ALA HB% 1.0 1.8 5.35 377 377 A 84 ILE HB A 69 VAL HA 1.0 1.8 4.96 378 378 A 84 ILE HB A 69 VAL HGy% 1.0 1.8 4.63 379 379 A 69 VAL HA A 69 VAL HGy% 1.0 1.8 3.89 380 380 A 66 ILE HA A 69 VAL HGy% 1.0 1.8 4.73 381 381 A 86 HIS HD2 A 69 VAL HGy% 1.0 1.8 5.06 382 382 A 69 VAL H A 69 VAL HGy% 1.0 1.8 4.30 383 383 A 86 HIS H A 69 VAL HGy% 1.0 1.8 6.01 384 384 A 85 ASP H A 69 VAL HGy% 1.0 1.8 6.47 385 385 A 73 ASN HBy A 69 VAL HGy% 1.0 1.8 4.88 386 386 A 84 ILE HB A 69 VAL HGx% 1.0 1.8 4.63 387 387 A 73 ASN HBy A 69 VAL HGx% 1.0 1.8 4.88 388 388 A 69 VAL HA A 69 VAL HGx% 1.0 1.8 3.89 389 389 A 66 ILE HA A 69 VAL HGx% 1.0 1.8 4.73 390 390 A 69 VAL HGx% A 69 VAL H 1.0 1.8 4.30 391 391 A 86 HIS H A 69 VAL HGx% 1.0 1.8 6.01 392 392 A 69 VAL HGx% A 85 ASP H 1.0 1.8 6.47 393 393 A 31 PHE HE% A 84 ILE HD1% 1.0 1.8 3.61 394 394 A 84 ILE HD1% A 83 LYS H 1.0 1.8 4.11 395 395 A 84 ILE HD1% A 69 VAL H 1.0 1.8 5.70 396 396 A 84 ILE HD1% A 84 ILE H 1.0 1.8 4.11 397 397 A 84 ILE HD1% A 84 ILE HA 1.0 1.8 4.21 398 398 A 84 ILE HD1% A 83 LYS HA 1.0 1.8 4.69 399 399 A 84 ILE HD1% A 72 LEU HA 1.0 1.8 5.30 400 400 A 84 ILE HD1% A 73 ASN HA 1.0 1.8 4.42 401 401 A 84 ILE HD1% A 15 ILE HA 1.0 1.8 4.31 402 402 A 84 ILE HD1% A 31 PHE HA 1.0 1.8 6.36 403 403 A 84 ILE HD1% A 69 VAL HA 1.0 1.8 4.74 404 404 A 73 ASN HBy A 84 ILE HD1% 1.0 1.8 5.20 405 405 A 84 ILE HD1% A 82 LEU HG 1.0 1.8 4.58 406 406 A 84 ILE HD1% A 68 ALA HB% 1.0 1.8 3.69 407 407 A 84 ILE HD1% A 84 ILE HB 1.0 1.8 4.09 408 408 A 84 ILE HD1% A 15 ILE HG2% 1.0 1.8 3.39 409 409 A 84 ILE HD1% A 72 LEU HDx% 1.0 1.8 4.88 410 410 A 84 ILE HD1% A 72 LEU HDy% 1.0 1.8 4.88 411 411 A 15 ILE HD1% A 84 ILE HD1% 1.0 1.8 4.30 412 412 A 15 ILE HA A 84 ILE HA 1.0 1.8 5.36 413 413 A 13 ILE HB A 84 ILE HG2% 1.0 1.8 3.85 414 414 A 15 ILE HD1% A 84 ILE HG2% 1.0 1.8 4.53 415 415 A 84 ILE HG2% A 69 VAL HA 1.0 1.8 3.94 416 416 A 73 ASN HBy A 84 ILE HG2% 1.0 1.8 5.04 417 417 A 84 ILE HG2% A 85 ASP HBy 1.0 1.8 5.71 418 418 A 73 ASN HA A 84 ILE HG2% 1.0 1.8 5.76 419 419 A 15 ILE HA A 84 ILE HG2% 1.0 1.8 5.50 420 420 A 84 ILE HG2% A 86 HIS HA 1.0 1.8 5.13 421 421 A 84 ILE HG2% A 85 ASP HA 1.0 1.8 4.57 422 422 A 84 ILE HA A 84 ILE HG2% 1.0 1.8 4.04 423 423 A 86 HIS HD2 A 84 ILE HG2% 1.0 1.8 6.50 424 424 A 84 ILE HG2% A 69 VAL H 1.0 1.8 4.62 425 425 A 84 ILE H A 84 ILE HG2% 1.0 1.8 4.47 426 426 A 84 ILE HG2% A 85 ASP H 1.0 1.8 4.06 427 427 A 84 ILE HG2% A 14 TYR H 1.0 1.8 4.81 428 428 A 84 ILE HG2% A 13 ILE H 1.0 1.8 6.07 429 429 A 84 ILE HG2% A 85 ASP HBx 1.0 1.8 5.71 430 430 A 69 VAL HB A 84 ILE HG2% 1.0 1.8 4.74 431 431 A 84 ILE HD1% A 68 ALA HA 1.0 1.8 5.07 432 432 A 77 ILE HB A 82 LEU HDy% 1.0 1.8 4.33 433 433 A 82 LEU HA A 82 LEU HDy% 1.0 1.8 4.58 434 434 A 72 LEU HA A 82 LEU HDy% 1.0 1.8 4.71 435 435 A 83 LYS H A 82 LEU HDy% 1.0 1.8 4.79 436 436 A 82 LEU H A 82 LEU HDy% 1.0 1.8 4.77 437 437 A 77 ILE HB A 82 LEU HDx% 1.0 1.8 4.33 438 438 A 82 LEU HA A 82 LEU HDx% 1.0 1.8 4.58 439 439 A 72 LEU HA A 82 LEU HDx% 1.0 1.8 4.71 440 440 A 67 LEU HDx% B 311 PHE HD% 1.0 1.8 4.09 441 441 B 313 ILE H A 67 LEU HDx% 1.0 1.8 5.05 442 442 A 82 LEU H A 82 LEU HDx% 1.0 1.8 4.77 443 443 A 67 LEU HDx% B 313 ILE HD1% 1.0 1.8 3.84 444 444 A 77 ILE HD1% A 72 LEU HDx% 1.0 1.8 4.79 445 445 A 77 ILE HD1% A 72 LEU HDy% 1.0 1.8 4.79 446 446 A 77 ILE HB A 77 ILE HD1% 1.0 1.8 3.69 447 447 A 82 LEU HG A 77 ILE HD1% 1.0 1.8 4.59 448 448 A 72 LEU HA A 77 ILE HD1% 1.0 1.8 5.09 449 449 A 77 ILE HD1% A 77 ILE HA 1.0 1.8 4.22 450 450 A 77 ILE HD1% A 75 PHE HD% 1.0 1.8 4.08 451 451 A 77 ILE HD1% A 75 PHE HE% 1.0 1.8 4.00 452 452 A 31 PHE HD% A 77 ILE HD1% 1.0 1.8 5.98 453 453 A 77 ILE HG2% A 77 ILE HG1y 1.0 1.8 3.58 454 454 A 77 ILE HG2% A 77 ILE HG1x 1.0 1.8 3.58 455 455 A 82 LEU HG A 77 ILE HG2% 1.0 1.8 4.99 456 456 A 77 ILE HA A 77 ILE HG2% 1.0 1.8 3.74 457 457 A 18 LEU HA A 77 ILE HG2% 1.0 1.8 4.87 458 458 A 75 PHE HD% A 77 ILE HG2% 1.0 1.8 5.19 459 459 A 75 PHE HE% A 77 ILE HG2% 1.0 1.8 5.31 460 460 A 77 ILE HG2% A 77 ILE H 1.0 1.8 4.49 461 461 A 19 ASN H A 77 ILE HG2% 1.0 1.8 5.09 462 462 A 82 LEU H A 77 ILE HG2% 1.0 1.8 5.62 463 463 A 75 PHE HE% A 77 ILE HG1y 1.0 1.8 4.76 464 464 A 75 PHE HE% A 77 ILE HG1x 1.0 1.8 4.76 465 465 A 75 PHE HD% A 77 ILE HG1x 1.0 1.8 5.12 466 466 A 31 PHE HA A 72 LEU HDy% 1.0 1.8 5.52 467 467 A 34 TYR HE% A 72 LEU HDy% 1.0 1.8 4.51 468 468 A 72 LEU H A 72 LEU HDy% 1.0 1.8 4.82 469 469 A 31 PHE HD% A 72 LEU HDy% 1.0 1.8 5.43 470 470 A 72 LEU HDx% A 30 VAL HGx% 1.0 1.8 6.60 471 471 A 68 ALA HB% A 72 LEU HDx% 1.0 1.8 4.65 472 472 A 68 ALA HA A 72 LEU HDx% 1.0 1.8 5.15 473 473 A 34 TYR HE% A 72 LEU HDx% 1.0 1.8 4.51 474 474 A 31 PHE HD% A 72 LEU HDx% 1.0 1.8 5.43 475 475 A 72 LEU H A 72 LEU HDx% 1.0 1.8 4.82 476 476 A 110 ILE HA A 110 ILE HG1x 1.0 1.8 4.52 477 477 A 110 ILE HA A 110 ILE HG1y 1.0 1.8 4.52 478 478 A 110 ILE HB A 110 ILE HD1% 1.0 1.8 4.07 479 479 A 110 ILE HA A 110 ILE HD1% 1.0 1.8 4.41 480 480 A 110 ILE HA A 110 ILE HG2% 1.0 1.8 3.64 481 481 A 110 ILE HG2% A 110 ILE H 1.0 1.8 4.98 482 482 A 102 VAL H A 102 VAL HB 1.0 1.8 4.41 483 483 A 102 VAL HA A 102 VAL HGy% 1.0 1.8 3.58 484 484 A 84 ILE H A 83 LYS HGx 1.0 1.8 5.28 485 485 A 84 ILE H A 83 LYS HGy 1.0 1.8 5.28 486 486 A 83 LYS H A 83 LYS HGx 1.0 1.8 6.29 487 487 A 83 LYS H A 83 LYS HGy 1.0 1.8 6.29 488 488 A 84 ILE H A 83 LYS HBy 1.0 1.8 5.12 489 489 A 84 ILE H A 83 LYS HBx 1.0 1.8 4.96 490 490 A 84 ILE H A 83 LYS HDx 1.0 1.8 6.46 491 491 A 84 ILE H A 83 LYS HDy 1.0 1.8 6.46 492 492 A 83 LYS HA A 83 LYS HDx 1.0 1.8 5.70 493 493 A 83 LYS HA A 83 LYS HDy 1.0 1.8 5.70 494 494 A 84 ILE H A 83 LYS HEx 1.0 1.8 6.60 495 495 A 84 ILE H A 83 LYS HEy 1.0 1.8 6.60 496 496 A 98 TYR HE% A 95 LEU HDy% 1.0 1.8 5.90 497 497 A 98 TYR HD% A 95 LEU HDy% 1.0 1.8 4.95 498 498 A 106 LEU HA A 106 LEU HG 1.0 1.8 4.06 499 499 A 98 TYR HD% A 95 LEU HA 1.0 1.8 5.33 500 500 A 55 ALA HB% A 54 PHE HD% 1.0 1.8 5.52 501 501 A 98 TYR HE% A 95 LEU HDx% 1.0 1.8 5.90 502 502 A 50 GLU H A 50 GLU HGx 1.0 1.8 5.50 503 503 A 50 GLU H A 50 GLU HGy 1.0 1.8 5.50 504 504 A 48 THR H A 49 GLY HAx 1.0 1.8 5.90 505 505 A 48 THR H A 49 GLY HAy 1.0 1.8 5.90 506 506 A 77 ILE H A 81 ALA HA 1.0 1.8 5.04 507 507 A 81 ALA HB% A 75 PHE H 1.0 1.8 4.91 508 508 A 81 ALA HB% A 77 ILE H 1.0 1.8 4.70 509 509 A 81 ALA HB% A 76 LYS H 1.0 1.8 5.05 510 510 A 87 THR H A 87 THR HG2% 1.0 1.8 4.14 511 511 A 13 ILE HA A 87 THR HG2% 1.0 1.8 4.28 512 512 A 56 TYR HD% A 87 THR HG2% 1.0 1.8 3.56 513 513 A 56 TYR HA A 87 THR HG2% 1.0 1.8 4.09 514 514 A 89 TYR HD% A 87 THR HG2% 1.0 1.8 3.56 515 515 A 12 TYR HD% A 87 THR HG2% 1.0 1.8 5.49 516 516 A 87 THR HG2% A 14 TYR H 1.0 1.8 4.38 517 517 A 14 TYR HD% A 85 ASP HBx 1.0 1.8 4.99 518 518 A 86 HIS H A 85 ASP HBx 1.0 1.8 5.14 519 519 A 86 HIS H A 85 ASP HBy 1.0 1.8 5.14 520 520 A 13 ILE HG2% A 85 ASP HBy 1.0 1.8 6.18 521 521 A 13 ILE HG2% A 85 ASP HBx 1.0 1.8 6.18 522 522 A 13 ILE HG2% A 85 ASP HA 1.0 1.8 5.50 523 523 A 58 LYS HA A 58 LYS HDx 1.0 1.8 5.19 524 524 A 58 LYS HA A 58 LYS HDy 1.0 1.8 5.19 525 525 A 12 TYR HE% A 58 LYS HDx 1.0 1.8 5.60 526 526 A 103 LYS HA A 103 LYS HGx 1.0 1.8 4.31 527 527 A 103 LYS HA A 103 LYS HGy 1.0 1.8 4.31 528 528 A 67 LEU HDx% A 64 SER HA 1.0 1.8 4.29 529 529 A 67 LEU HA A 67 LEU HDy% 1.0 1.8 4.08 530 530 A 34 TYR HD% A 67 LEU HDx% 1.0 1.8 4.39 531 531 A 83 LYS H A 82 LEU HDx% 1.0 1.8 4.79 532 532 A 81 ALA H A 80 ARG HDy 1.0 1.8 5.54 533 533 A 80 ARG H A 80 ARG HDy 1.0 1.8 5.19 534 534 A 75 PHE HD% A 75 PHE HA 1.0 1.8 4.74 535 535 A 21 GLU H A 20 ARG HDx 1.0 1.8 5.33 536 536 A 21 GLU H A 20 ARG HDy 1.0 1.8 5.33 537 537 A 27 ILE HD1% A 24 GLU HGx 1.0 1.8 5.33 538 538 A 27 ILE HD1% A 24 GLU HGy 1.0 1.8 5.33 539 539 A 27 ILE HB A 24 GLU HA 1.0 1.8 4.72 540 540 A 22 LEU HDx% A 26 ASP HBx 1.0 1.8 6.78 541 541 A 32 SER HA A 37 PRO HGx 1.0 1.8 5.85 542 542 A 32 SER HA A 37 PRO HGy 1.0 1.8 5.85 543 543 A 41 ILE HD1% A 91 PRO HBy 1.0 1.8 4.84 544 544 A 41 ILE HD1% A 91 PRO HBx 1.0 1.8 4.84 545 545 A 12 TYR HE% A 58 LYS HGx 1.0 1.8 5.63 546 546 A 12 TYR HE% A 58 LYS HGy 1.0 1.8 5.63 547 547 A 48 THR HG2% A 50 GLU HGx 1.0 1.8 5.94 548 548 A 48 THR HG2% A 50 GLU HGy 1.0 1.8 5.94 549 549 A 51 SER HBy A 52 GLN H 1.0 1.8 6.39 550 550 A 52 GLN H A 51 SER HBx 1.0 1.8 6.39 551 551 A 52 GLN HA A 52 GLN HGx 1.0 1.8 4.42 552 552 A 52 GLN HA A 52 GLN HGy 1.0 1.8 4.42 553 553 A 59 TYR HA A 38 VAL HGy% 1.0 1.8 5.26 554 554 A 59 TYR HA A 37 PRO HA 1.0 1.8 4.92 555 555 A 11 ALA HB% A 62 GLN HA 1.0 1.8 4.68 556 556 A 62 GLN HA A 62 GLN HGx 1.0 1.8 4.52 557 557 A 62 GLN HA A 62 GLN HGy 1.0 1.8 4.52 558 558 A 66 ILE H A 63 ARG HA 1.0 1.8 5.22 559 559 A 80 ARG HDy A 80 ARG HBy 1.0 1.8 4.52 560 560 A 80 ARG HDy A 80 ARG HBx 1.0 1.8 4.52 561 561 A 80 ARG HBx A 80 ARG HDx 1.0 1.8 4.52 562 562 A 80 ARG HBy A 80 ARG HDx 1.0 1.8 4.52 563 563 A 81 ALA H A 80 ARG HDx 1.0 1.8 5.54 564 564 A 80 ARG H A 80 ARG HDx 1.0 1.8 5.19 565 565 A 81 ALA H A 80 ARG HBx 1.0 1.8 5.47 566 566 A 81 ALA H A 80 ARG HBy 1.0 1.8 5.47 567 567 A 90 ARG H A 90 ARG HDx 1.0 1.8 6.07 568 568 A 90 ARG H A 90 ARG HDy 1.0 1.8 6.07 569 569 A 77 ILE H A 76 LYS HBx 1.0 1.8 5.36 570 570 A 77 ILE H A 76 LYS HBy 1.0 1.8 5.36 571 571 A 76 LYS H A 76 LYS HGy 1.0 1.8 5.10 572 572 A 76 LYS H A 76 LYS HGx 1.0 1.8 5.10 573 573 A 77 ILE H A 76 LYS HGx 1.0 1.8 6.06 574 574 A 77 ILE H A 76 LYS HGy 1.0 1.8 6.06 575 575 A 76 LYS H A 76 LYS HDy 1.0 1.8 5.81 576 576 A 76 LYS H A 76 LYS HDx 1.0 1.8 5.81 577 577 A 76 LYS H A 76 LYS HEx 1.0 1.8 5.95 578 578 A 76 LYS H A 76 LYS HEy 1.0 1.8 5.95 579 579 A 76 LYS HEx A 76 LYS HBx 1.0 1.8 6.05 580 580 A 76 LYS HBx A 76 LYS HEy 1.0 1.8 6.05 581 581 A 76 LYS HEx A 76 LYS HBy 1.0 1.8 6.05 582 582 A 76 LYS HBy A 76 LYS HEy 1.0 1.8 6.05 583 583 A 95 LEU HA A 95 LEU HG 1.0 1.8 3.92 584 584 A 106 LEU HG A 106 LEU H 1.0 1.8 5.09 585 585 A 7 TYR HA A 7 TYR HD% 1.0 1.8 3.98 586 586 A 98 TYR HA A 98 TYR HD% 1.0 1.8 4.33 587 587 A 99 TYR HA A 99 TYR HD% 1.0 1.8 3.84 588 588 A 7 TYR HA A 7 TYR HE% 1.0 1.8 5.43 589 589 A 98 TYR HE% A 98 TYR HA 1.0 1.8 5.93 590 590 A 104 GLU HA A 107 ASP HBx 1.0 1.8 4.44 591 591 A 104 GLU HA A 107 ASP HBy 1.0 1.8 4.44 592 592 A 104 GLU H A 104 GLU HGx 1.0 1.8 6.21 593 593 A 104 GLU H A 104 GLU HGy 1.0 1.8 6.21 594 594 A 99 TYR HD% A 100 GLU HA 1.0 1.8 5.08 595 595 A 108 ARG HA A 108 ARG HDy 1.0 1.8 5.95 596 596 A 108 ARG HA A 108 ARG HDx 1.0 1.8 5.95 597 597 A 90 ARG HA A 91 PRO HDx 1.0 1.8 4.05 598 598 A 91 PRO HDy A 90 ARG HA 1.0 1.8 4.21 599 599 A 91 PRO HA A 12 TYR HE% 1.0 1.8 4.95 600 600 A 3 MET HA A 3 MET HE% 1.0 1.8 4.92 601 601 A 37 PRO HDx A 28 LEU HDy% 1.0 1.8 5.90 602 602 A 57 LEU HDx% A 37 PRO HGy 1.0 1.8 5.49 603 603 A 37 PRO HDx A 28 LEU HDx% 1.0 1.8 5.90 604 604 A 57 LEU HDx% A 37 PRO HBy 1.0 1.8 5.29 605 605 A 37 PRO HGy A 57 LEU HDy% 1.0 1.8 5.49 606 606 A 45 ASP HA A 46 GLU HBx 1.0 1.8 6.60 607 607 A 45 ASP HA A 46 GLU HBy 1.0 1.8 6.60 608 608 A 48 THR HG2% A 47 ASN H 1.0 1.8 4.92 609 609 A 48 THR H A 48 THR HG2% 1.0 1.8 3.97 610 610 A 48 THR HG2% A 50 GLU H 1.0 1.8 4.74 611 611 A 66 ILE H A 66 ILE HG1y 1.0 1.8 5.05 612 612 A 66 ILE H A 66 ILE HG1x 1.0 1.8 5.05 613 613 A 30 VAL HA A 77 ILE HD1% 1.0 1.8 5.72 614 614 A 77 ILE HD1% B 324 ARG HA 1.0 1.8 4.95 615 615 B 313 ILE HG2% A 35 GLY HAy 1.0 1.8 4.30 616 616 B 318 ARG HDy A 28 LEU HDy% 1.0 1.8 4.72 617 617 B 318 ARG HA B 318 ARG HDy 1.0 1.8 4.41 618 618 B 318 ARG HA B 318 ARG HDx 1.0 1.8 4.41 619 619 B 318 ARG H B 318 ARG HGy 1.0 1.8 5.82 620 620 B 339 ILE H B 338 GLU HBy 1.0 1.8 5.08 621 621 B 315 PRO HDy B 314 MET HGy 1.0 1.8 5.54 622 622 B 313 ILE HA B 314 MET HGx 1.0 1.8 6.01 623 623 B 315 PRO HDy B 314 MET HGx 1.0 1.8 5.54 624 624 A 29 THR HG2% B 320 ASP HA 1.0 1.8 5.01 625 625 B 322 VAL HA B 322 VAL HGx% 1.0 1.8 4.17 626 626 B 322 VAL HA B 322 VAL HGy% 1.0 1.8 4.17 627 627 B 323 HIS H B 322 VAL HGy% 1.0 1.8 4.54 628 628 A 67 LEU HDy% B 310 ARG HA 1.0 1.8 5.35 629 629 B 310 ARG HA B 333 PHE HE% 1.0 1.8 5.21 630 630 B 339 ILE HA B 339 ILE HG1y 1.0 1.8 4.15 631 631 B 336 GLN HA B 339 ILE HB 1.0 1.8 5.51 632 632 B 339 ILE HA B 339 ILE HG1x 1.0 1.8 4.15 633 633 B 339 ILE HG2% B 339 ILE HG1x 1.0 1.8 3.60 634 634 B 339 ILE HA B 339 ILE HG2% 1.0 1.8 3.45 635 635 B 339 ILE HG2% B 339 ILE HG1y 1.0 1.8 3.60 636 636 B 339 ILE H B 339 ILE HG2% 1.0 1.8 4.76 637 637 B 339 ILE HB B 339 ILE HD1% 1.0 1.8 3.82 638 638 B 336 GLN HA B 339 ILE HD1% 1.0 1.8 4.83 639 639 B 339 ILE HA B 339 ILE HD1% 1.0 1.8 4.47 640 640 B 335 LYS HA B 338 GLU HBy 1.0 1.8 4.08 641 641 B 335 LYS HA B 338 GLU HBx 1.0 1.8 4.08 642 642 B 334 ALA HA B 337 ASN HBy 1.0 1.8 4.81 643 643 B 334 ALA HA B 337 ASN HBx 1.0 1.8 4.81 644 644 B 336 GLN HA B 339 ILE HG1y 1.0 1.8 5.62 645 645 B 336 GLN HA B 339 ILE HG1x 1.0 1.8 5.62 646 646 B 333 PHE HA B 336 GLN HBy 1.0 1.8 5.22 647 647 B 333 PHE HA B 336 GLN HBx 1.0 1.8 5.22 648 648 B 336 GLN H B 336 GLN HGy 1.0 1.8 4.85 649 649 B 336 GLN H B 336 GLN HGx 1.0 1.8 4.85 650 650 B 336 GLN HA B 336 GLN HGy 1.0 1.8 4.35 651 651 B 336 GLN HA B 336 GLN HGx 1.0 1.8 4.35 652 652 B 305 PRO HDy B 304 LYS HBy 1.0 1.8 4.28 653 653 B 304 LYS HEx B 304 LYS HBy 1.0 1.8 6.17 654 654 B 304 LYS HBy B 304 LYS HEy 1.0 1.8 6.17 655 655 B 304 LYS HBx B 304 LYS HEx 1.0 1.8 6.17 656 656 B 304 LYS HBx B 304 LYS HEy 1.0 1.8 6.17 657 657 B 305 PRO HDx B 304 LYS HGx 1.0 1.8 6.60 658 658 B 305 PRO HDx B 304 LYS HGy 1.0 1.8 6.60 659 659 B 305 PRO HA B 306 ALA HB% 1.0 1.8 5.27 660 660 B 305 PRO HBy B 306 ALA H 1.0 1.8 4.73 661 661 B 304 LYS HA B 305 PRO HGx 1.0 1.8 5.82 662 662 B 304 LYS HA B 305 PRO HGy 1.0 1.8 5.82 663 663 B 305 PRO HDy B 304 LYS HBx 1.0 1.8 4.28 664 664 B 305 PRO HDy B 304 LYS HGx 1.0 1.8 5.79 665 665 B 305 PRO HDy B 304 LYS HGy 1.0 1.8 5.79 666 666 B 305 PRO HDx B 304 LYS HA 1.0 1.8 3.15 667 667 B 305 PRO HDy B 304 LYS HA 1.0 1.8 3.29 668 668 B 306 ALA HB% B 307 PRO HDx 1.0 1.8 3.66 669 669 B 306 ALA HB% B 307 PRO HDy 1.0 1.8 3.66 670 670 B 306 ALA HB% B 305 PRO HBy 1.0 1.8 5.48 671 671 B 308 GLU H B 307 PRO HBy 1.0 1.8 4.84 672 672 B 308 GLU H B 307 PRO HBx 1.0 1.8 4.84 673 673 B 308 GLU H B 308 GLU HBy 1.0 1.8 4.43 674 674 B 308 GLU H B 308 GLU HBx 1.0 1.8 4.43 675 675 B 308 GLU H B 308 GLU HGx 1.0 1.8 5.87 676 676 B 308 GLU H B 308 GLU HGy 1.0 1.8 5.87 677 677 B 333 PHE HE% B 309 ASN HA 1.0 1.8 6.07 678 678 B 311 PHE HD% B 311 PHE HA 1.0 1.8 4.52 679 679 B 311 PHE HA B 312 ALA HB% 1.0 1.8 5.30 680 680 B 313 ILE HA B 312 ALA HB% 1.0 1.8 4.85 681 681 B 312 ALA HB% B 314 MET H 1.0 1.8 6.09 682 682 B 313 ILE H B 312 ALA HB% 1.0 1.8 4.27 683 683 B 312 ALA HB% B 312 ALA H 1.0 1.8 3.84 684 684 B 313 ILE HA B 314 MET HGy 1.0 1.8 6.01 685 685 B 313 ILE H B 313 ILE HG2% 1.0 1.8 4.54 686 686 B 313 ILE HG2% A 35 GLY H 1.0 1.8 5.12 687 687 B 311 PHE HD% B 313 ILE HG2% 1.0 1.8 6.49 688 688 A 34 TYR HD% B 313 ILE HG2% 1.0 1.8 6.60 689 689 B 313 ILE HG2% A 35 GLY HAx 1.0 1.8 4.30 690 690 B 313 ILE HG2% B 313 ILE HA 1.0 1.8 4.04 691 691 B 313 ILE HG2% B 311 PHE HBy 1.0 1.8 6.03 692 692 B 313 ILE HG2% B 311 PHE HBx 1.0 1.8 6.03 693 693 B 311 PHE HD% B 313 ILE HD1% 1.0 1.8 4.38 694 694 B 313 ILE HD1% B 311 PHE H 1.0 1.8 5.83 695 695 A 64 SER H B 313 ILE HD1% 1.0 1.8 4.99 696 696 B 313 ILE HD1% B 314 MET H 1.0 1.8 6.16 697 697 B 313 ILE HD1% B 311 PHE HBy 1.0 1.8 4.77 698 698 B 313 ILE HD1% A 35 GLY HAy 1.0 1.8 4.93 699 699 B 313 ILE HD1% A 64 SER HA 1.0 1.8 5.04 700 700 B 313 ILE HD1% B 313 ILE HA 1.0 1.8 4.65 701 701 B 313 ILE HD1% A 35 GLY HAx 1.0 1.8 4.93 702 702 B 313 ILE HD1% B 311 PHE HBx 1.0 1.8 4.77 703 703 A 67 LEU HG B 313 ILE HD1% 1.0 1.8 4.80 704 704 B 313 ILE HD1% B 313 ILE HB 1.0 1.8 4.13 705 705 B 313 ILE HD1% B 313 ILE HG2% 1.0 1.8 3.59 706 706 B 313 ILE HD1% A 63 ARG H 1.0 1.8 6.09 707 707 A 34 TYR HD% B 313 ILE HD1% 1.0 1.8 6.50 708 708 B 313 ILE HD1% B 311 PHE HA 1.0 1.8 5.22 709 709 B 314 MET HE% B 315 PRO HDx 1.0 1.8 5.30 710 710 B 315 PRO HDy B 314 MET HE% 1.0 1.8 5.32 711 711 B 313 ILE HA B 314 MET HE% 1.0 1.8 5.32 712 712 B 313 ILE HG2% B 314 MET HE% 1.0 1.8 5.96 713 713 B 312 ALA HB% B 314 MET HE% 1.0 1.8 5.31 714 714 B 314 MET H B 314 MET HE% 1.0 1.8 4.79 715 715 B 313 ILE H B 314 MET HE% 1.0 1.8 5.38 716 716 B 306 ALA HB% B 307 PRO HA 1.0 1.8 5.59 717 717 B 319 TRP HE3 B 315 PRO HGx 1.0 1.8 5.05 718 718 B 319 TRP HZ3 B 321 GLY HAy 1.0 1.8 6.60 719 719 B 319 TRP HE3 B 321 GLY HAy 1.0 1.8 6.60 720 720 B 321 GLY HAy B 319 TRP HZ2 1.0 1.8 6.60 721 721 A 75 PHE HE% B 324 ARG HA 1.0 1.8 4.94 722 722 B 324 ARG HA A 75 PHE HZ 1.0 1.8 4.99 723 723 B 330 GLU HA B 334 ALA HB% 1.0 1.8 5.58 724 724 B 330 GLU HA B 333 PHE HBx 1.0 1.8 5.20 725 725 B 330 GLU HA B 333 PHE HBy 1.0 1.8 5.20 726 726 B 330 GLU H B 330 GLU HBy 1.0 1.8 4.13 727 727 B 330 GLU H B 330 GLU HBx 1.0 1.8 4.17 728 728 B 330 GLU HBy B 331 LYS H 1.0 1.8 4.68 729 729 B 331 LYS HA B 331 LYS HGx 1.0 1.8 4.37 730 730 B 334 ALA HB% B 331 LYS HA 1.0 1.8 3.93 731 731 B 331 LYS H B 331 LYS HBy 1.0 1.8 4.62 732 732 B 329 GLU HA B 331 LYS HGy 1.0 1.8 4.82 733 733 B 331 LYS HGx B 329 GLU HA 1.0 1.8 4.38 734 734 B 330 GLU HBx B 331 LYS HGx 1.0 1.8 6.02 735 735 B 331 LYS H B 331 LYS HGx 1.0 1.8 4.72 736 736 B 331 LYS HGx B 332 TRP H 1.0 1.8 5.35 737 737 B 331 LYS HGy B 332 TRP HA 1.0 1.8 5.19 738 738 B 331 LYS HGx B 332 TRP HA 1.0 1.8 6.12 739 739 B 334 ALA HB% B 333 PHE HBy 1.0 1.8 5.48 740 740 B 334 ALA HB% B 333 PHE HBx 1.0 1.8 5.48 741 741 B 334 ALA HB% B 335 LYS H 1.0 1.8 3.83 742 742 B 334 ALA HB% B 334 ALA H 1.0 1.8 3.41 743 743 B 334 ALA HB% B 332 TRP H 1.0 1.8 5.75 744 744 B 334 ALA HB% B 333 PHE H 1.0 1.8 5.98 745 745 B 336 GLN H B 334 ALA HB% 1.0 1.8 5.21 746 746 B 335 LYS HA B 335 LYS HGx 1.0 1.8 4.68 747 747 B 335 LYS HA B 335 LYS HGy 1.0 1.8 4.68 748 748 B 332 TRP HA B 335 LYS HBx 1.0 1.8 5.09 749 749 B 332 TRP HA B 335 LYS HBy 1.0 1.8 5.09 750 750 B 335 LYS H B 335 LYS HBx 1.0 1.8 4.40 751 751 B 335 LYS H B 335 LYS HBy 1.0 1.8 4.40 752 752 B 332 TRP HA B 335 LYS HGx 1.0 1.8 6.60 753 753 B 332 TRP HA B 335 LYS HGy 1.0 1.8 6.60 754 754 B 335 LYS H B 335 LYS HGx 1.0 1.8 5.78 755 755 B 335 LYS H B 335 LYS HGy 1.0 1.8 5.78 756 756 B 335 LYS HA B 335 LYS HEx 1.0 1.8 6.47 757 757 B 335 LYS HA B 335 LYS HEy 1.0 1.8 6.47 758 758 B 332 TRP HA B 332 TRP HD1 1.0 1.8 4.57 759 759 B 332 TRP H B 332 TRP HD1 1.0 1.8 5.18 760 760 B 331 LYS HGy B 332 TRP HD1 1.0 1.8 5.69 761 761 B 333 PHE H B 332 TRP HE3 1.0 1.8 4.81 762 762 B 333 PHE HE% B 332 TRP HE3 1.0 1.8 5.13 763 763 B 333 PHE HA B 332 TRP HE3 1.0 1.8 4.65 764 764 B 332 TRP HA B 332 TRP HE3 1.0 1.8 5.33 765 765 B 333 PHE HA B 332 TRP HZ3 1.0 1.8 5.64 766 766 B 333 PHE HE% B 332 TRP HZ3 1.0 1.8 5.70 767 767 B 332 TRP HZ3 B 333 PHE HD% 1.0 1.8 5.92 768 768 B 319 TRP HZ2 B 324 ARG H 1.0 1.8 5.73 769 769 B 323 HIS H B 319 TRP HZ2 1.0 1.8 5.91 770 770 B 319 TRP HZ2 B 323 HIS HA 1.0 1.8 4.89 771 771 B 319 TRP HZ2 B 321 GLY HAx 1.0 1.8 5.33 772 772 B 320 ASP H B 319 TRP HD1 1.0 1.8 4.61 773 773 A 29 THR HA B 319 TRP HD1 1.0 1.8 5.49 774 774 B 321 GLY HAx B 319 TRP HH2 1.0 1.8 5.07 775 775 A 86 HIS HD2 A 86 HIS H 1.0 1.8 4.89 776 776 B 319 TRP HE3 B 315 PRO HGy 1.0 1.8 5.05 777 777 B 323 HIS H B 323 HIS HD2 1.0 1.8 4.77 778 778 B 328 PHE H B 328 PHE HD% 1.0 1.8 4.82 779 779 B 328 PHE HD% B 328 PHE HA 1.0 1.8 4.57 780 780 B 329 GLU HA B 328 PHE HD% 1.0 1.8 4.66 781 781 A 12 TYR HD% A 58 LYS H 1.0 1.8 4.88 782 782 B 311 PHE HE% A 67 LEU HG 1.0 1.8 4.99 783 783 B 333 PHE HZ B 308 GLU HGx 1.0 1.8 6.05 784 784 B 333 PHE HZ B 308 GLU HGy 1.0 1.8 6.05 785 785 B 310 ARG HA B 333 PHE HZ 1.0 1.8 5.38 786 786 B 333 PHE HD% B 333 PHE HZ 1.0 1.8 4.40 787 787 B 334 ALA HB% B 333 PHE HD% 1.0 1.8 6.19 788 788 B 330 GLU HBy B 333 PHE HD% 1.0 1.8 6.50 789 789 B 330 GLU HA B 333 PHE HD% 1.0 1.8 4.26 790 790 B 333 PHE HA B 333 PHE HD% 1.0 1.8 3.78 791 791 B 333 PHE HE% B 308 GLU HBy 1.0 1.8 4.68 792 792 B 332 TRP HE3 B 333 PHE HD% 1.0 1.8 4.32 793 793 B 333 PHE H B 333 PHE HD% 1.0 1.8 4.17 794 794 B 333 PHE HE% B 308 GLU HBx 1.0 1.8 4.68 795 795 B 309 ASN HA B 333 PHE HZ 1.0 1.8 5.51 796 796 B 333 PHE HZ B 308 GLU HA 1.0 1.8 5.82 797 797 B 333 PHE HZ B 310 ARG H 1.0 1.8 5.76 798 798 A 12 TYR HD% A 57 LEU H 1.0 1.8 5.49 799 799 A 12 TYR HD% A 13 ILE H 1.0 1.8 6.60 800 800 A 12 TYR HD% A 41 ILE HD1% 1.0 1.8 4.38 801 801 A 12 TYR HE% A 58 LYS H 1.0 1.8 4.86 802 802 A 12 TYR HE% A 57 LEU H 1.0 1.8 6.60 803 803 A 12 TYR HE% A 58 LYS HBx 1.0 1.8 5.45 804 804 A 12 TYR HE% A 58 LYS HDy 1.0 1.8 5.60 805 805 A 12 TYR HE% A 41 ILE HG1y 1.0 1.8 4.36 806 806 A 12 TYR HE% A 58 LYS HBy 1.0 1.8 4.94 807 807 A 14 TYR HD% A 87 THR HG2% 1.0 1.8 5.35 808 808 A 83 LYS HBy A 14 TYR HD% 1.0 1.8 5.47 809 809 A 14 TYR HD% A 85 ASP HBy 1.0 1.8 4.99 810 810 A 14 TYR HD% A 55 ALA H 1.0 1.8 5.73 811 811 A 14 TYR HD% A 85 ASP H 1.0 1.8 4.62 812 812 A 14 TYR HE% A 55 ALA H 1.0 1.8 6.15 813 813 A 14 TYR HD% A 15 ILE H 1.0 1.8 5.16 814 814 A 83 LYS HBy A 14 TYR HE% 1.0 1.8 4.73 815 815 A 54 PHE HE% A 14 TYR HE% 1.0 1.8 6.60 816 816 A 31 PHE HD% A 31 PHE HA 1.0 1.8 4.68 817 817 A 27 ILE HA A 31 PHE HD% 1.0 1.8 5.01 818 818 A 30 VAL HB A 31 PHE HD% 1.0 1.8 5.12 819 819 A 13 ILE HD1% A 31 PHE HD% 1.0 1.8 4.38 820 820 A 15 ILE HD1% A 31 PHE HD% 1.0 1.8 4.99 821 821 A 31 PHE HD% A 30 VAL HGy% 1.0 1.8 4.83 822 822 A 31 PHE HD% A 57 LEU HDx% 1.0 1.8 4.68 823 823 A 31 PHE HD% A 31 PHE H 1.0 1.8 4.38 824 824 A 54 PHE HD% A 55 ALA H 1.0 1.8 4.52 825 825 A 34 TYR HD% A 72 LEU HG 1.0 1.8 6.29 826 826 A 34 TYR HD% A 34 TYR H 1.0 1.8 5.05 827 827 A 56 TYR HD% A 56 TYR H 1.0 1.8 4.70 828 828 A 54 PHE HA A 54 PHE HD% 1.0 1.8 5.14 829 829 A 41 ILE HG2% A 56 TYR HD% 1.0 1.8 3.78 830 830 A 41 ILE HD1% A 56 TYR HD% 1.0 1.8 3.95 831 831 A 54 PHE HD% A 14 TYR HE% 1.0 1.8 4.83 832 832 A 89 TYR HE% A 56 TYR HD% 1.0 1.8 5.57 833 833 A 75 PHE HD% A 77 ILE HG1y 1.0 1.8 5.12 834 834 A 75 PHE HD% A 75 PHE HZ 1.0 1.8 4.33 835 835 A 77 ILE HD1% A 75 PHE HZ 1.0 1.8 5.51 836 836 A 86 HIS HE1 A 69 VAL HGy% 1.0 1.8 5.27 837 837 A 86 HIS HE1 A 65 THR HB 1.0 1.8 5.76 838 838 A 66 ILE H A 86 HIS HE1 1.0 1.8 6.24 839 839 A 86 HIS HD2 A 69 VAL HGx% 1.0 1.8 5.06 840 840 A 86 HIS HE1 A 69 VAL HGx% 1.0 1.8 5.27 841 841 A 89 TYR HD% A 90 ARG H 1.0 1.8 6.23 842 842 A 89 TYR HD% A 89 TYR H 1.0 1.8 6.25 843 843 A 89 TYR HD% A 89 TYR HA 1.0 1.8 4.32 844 844 A 89 TYR HD% A 91 PRO HDy 1.0 1.8 6.07 845 845 A 89 TYR HD% A 90 ARG HGx 1.0 1.8 6.60 846 846 A 89 TYR HD% A 90 ARG HGy 1.0 1.8 6.60 847 847 A 98 TYR HD% A 95 LEU HDx% 1.0 1.8 4.95 848 848 A 98 TYR HD% A 95 LEU HG 1.0 1.8 4.05 849 849 A 98 TYR HE% A 95 LEU HG 1.0 1.8 4.84 850 850 B 319 TRP HZ3 B 321 GLY HAx 1.0 1.8 5.50 851 851 B 315 PRO HDy B 319 TRP HZ3 1.0 1.8 6.60 852 852 A 72 LEU HG A 34 TYR HE% 1.0 1.8 4.35 853 853 A 68 ALA HB% A 34 TYR HE% 1.0 1.8 6.09 854 854 A 68 ALA HA A 34 TYR HE% 1.0 1.8 5.96 855 855 B 318 ARG H B 319 TRP H 1.0 1.8 5.09 856 856 B 321 GLY H B 322 VAL H 1.0 1.8 4.51 857 857 B 322 VAL H B 322 VAL HB 1.0 1.8 4.36 858 858 B 322 VAL H B 322 VAL HGx% 1.0 1.8 4.44 859 859 B 322 VAL H B 322 VAL HGy% 1.0 1.8 4.44 860 860 B 322 VAL H B 319 TRP HE1 1.0 1.8 5.09 861 861 A 75 PHE HE% B 325 SER H 1.0 1.8 4.51 862 862 A 67 LEU HDx% B 311 PHE H 1.0 1.8 4.96 863 863 B 312 ALA HB% B 311 PHE H 1.0 1.8 5.35 864 864 B 311 PHE H B 312 ALA HA 1.0 1.8 5.29 865 865 B 311 PHE HD% B 311 PHE H 1.0 1.8 5.19 866 866 B 312 ALA H B 311 PHE H 1.0 1.8 4.30 867 867 B 313 ILE H B 311 PHE H 1.0 1.8 5.48 868 868 A 67 LEU HG B 311 PHE H 1.0 1.8 5.85 869 869 A 67 LEU HDy% B 311 PHE H 1.0 1.8 5.19 870 870 B 331 LYS HGy B 333 PHE H 1.0 1.8 5.71 871 871 B 333 PHE H B 332 TRP HBx 1.0 1.8 5.17 872 872 B 333 PHE H B 333 PHE HBy 1.0 1.8 4.55 873 873 B 333 PHE H B 333 PHE HBx 1.0 1.8 4.55 874 874 B 333 PHE H B 332 TRP HBy 1.0 1.8 5.17 875 875 B 308 GLU HA B 309 ASN H 1.0 1.8 3.81 876 876 B 313 ILE HG2% B 314 MET H 1.0 1.8 4.52 877 877 B 314 MET H B 314 MET HBx 1.0 1.8 4.17 878 878 B 313 ILE H B 314 MET H 1.0 1.8 5.30 879 879 B 314 MET H B 314 MET HGx 1.0 1.8 4.54 880 880 B 314 MET H B 314 MET HGy 1.0 1.8 4.54 881 881 B 314 MET H B 314 MET HBy 1.0 1.8 4.17 882 882 B 318 ARG H B 318 ARG HGx 1.0 1.8 5.82 883 883 B 318 ARG H B 317 SER HBx 1.0 1.8 5.76 884 884 B 318 ARG H B 317 SER HBy 1.0 1.8 5.76 885 885 B 309 ASN H B 308 GLU HGx 1.0 1.8 5.07 886 886 B 309 ASN H B 308 GLU HGy 1.0 1.8 5.07 887 887 B 309 ASN H B 308 GLU HBy 1.0 1.8 4.59 888 888 B 309 ASN H B 308 GLU HBx 1.0 1.8 4.59 889 889 B 339 ILE H B 338 GLU HBx 1.0 1.8 5.08 890 890 B 339 ILE H B 339 ILE HB 1.0 1.8 4.09 891 891 B 339 ILE H B 339 ILE HG1y 1.0 1.8 4.51 892 892 B 339 ILE H B 339 ILE HG1x 1.0 1.8 4.51 893 893 B 339 ILE H B 339 ILE HD1% 1.0 1.8 4.84 894 894 B 331 LYS H B 331 LYS HBx 1.0 1.8 4.62 895 895 B 331 LYS H B 331 LYS HGy 1.0 1.8 4.06 896 896 B 330 GLU HBx B 331 LYS H 1.0 1.8 4.22 897 897 B 320 ASP H B 321 GLY HAx 1.0 1.8 5.16 898 898 B 320 ASP H B 321 GLY H 1.0 1.8 4.59 899 899 A 29 THR HA B 320 ASP H 1.0 1.8 4.97 900 900 B 320 ASP H B 322 VAL H 1.0 1.8 4.89 901 901 B 323 HIS H B 323 HIS HBy 1.0 1.8 4.49 902 902 B 323 HIS H B 323 HIS HBx 1.0 1.8 4.49 903 903 B 323 HIS H B 322 VAL HGx% 1.0 1.8 4.54 904 904 B 328 PHE H B 327 GLY H 1.0 1.8 5.17 905 905 B 331 LYS HGy B 332 TRP H 1.0 1.8 4.71 906 906 B 332 TRP H B 332 TRP HBx 1.0 1.8 4.61 907 907 B 332 TRP H B 332 TRP HBy 1.0 1.8 4.61 908 908 B 329 GLU HA B 332 TRP H 1.0 1.8 5.05 909 909 B 331 LYS H B 332 TRP H 1.0 1.8 4.39 910 910 B 330 GLU H B 329 GLU H 1.0 1.8 4.94 911 911 B 313 ILE H B 313 ILE HB 1.0 1.8 4.57 912 912 B 313 ILE H B 313 ILE HD1% 1.0 1.8 5.01 913 913 B 334 ALA H B 333 PHE H 1.0 1.8 4.55 914 914 B 335 LYS H B 334 ALA H 1.0 1.8 4.41 915 915 B 313 ILE H B 312 ALA H 1.0 1.8 4.53 916 916 B 306 ALA HB% B 306 ALA H 1.0 1.8 3.59 917 917 B 306 ALA H B 305 PRO HBx 1.0 1.8 4.51 918 918 A 28 LEU HDy% B 318 ARG HDx 1.0 1.8 4.72 919 919 A 29 THR HG2% B 319 TRP HD1 1.0 1.8 4.16 920 920 A 29 THR HG2% B 319 TRP HZ2 1.0 1.8 5.40 921 921 A 67 LEU HDx% B 313 ILE HG2% 1.0 1.8 4.47 922 922 A 67 LEU HDx% B 313 ILE HB 1.0 1.8 5.19 923 923 A 66 ILE HD1% B 311 PHE HZ 1.0 1.8 3.88 924 924 A 66 ILE HD1% B 311 PHE HD% 1.0 1.8 4.94 925 925 B 311 PHE HZ A 67 LEU HDx% 1.0 1.8 5.19 926 926 A 28 LEU HDy% B 318 ARG HGy 1.0 1.8 4.68 927 927 B 318 ARG HGx A 28 LEU HDy% 1.0 1.8 4.68 928 928 B 318 ARG HBy A 28 LEU HDy% 1.0 1.8 6.96 929 929 B 311 PHE HE% A 67 LEU HDy% 1.0 1.8 4.07 930 930 A 67 LEU HDy% B 311 PHE HD% 1.0 1.8 4.07 931 931 B 311 PHE HZ A 67 LEU HDy% 1.0 1.8 4.48 932 932 B 311 PHE HZ A 66 ILE HB 1.0 1.8 5.21 933 933 B 311 PHE HE% A 66 ILE HB 1.0 1.8 4.70 934 934 A 66 ILE HG2% B 311 PHE HD% 1.0 1.8 4.86 935 935 B 311 PHE HZ A 66 ILE HG2% 1.0 1.8 3.89 936 936 A 28 LEU HDx% B 318 ARG HGy 1.0 1.8 4.68 937 937 A 28 LEU HDx% B 318 ARG HGx 1.0 1.8 4.68 938 938 A 28 LEU HDx% B 318 ARG HBy 1.0 1.8 6.96 939 939 A 28 LEU HDx% B 318 ARG HDy 1.0 1.8 4.72 940 940 A 28 LEU HDx% B 318 ARG HDx 1.0 1.8 4.72 941 941 A 8 LYS HA A 8 LYS HGx 1.0 1.8 4.11 942 941 A 8 LYS HA A 8 LYS HGy 1.0 1.8 4.11 943 942 A 11 ALA HB% A 62 GLN HBx 1.0 1.8 5.25 944 942 A 11 ALA HB% A 62 GLN HBy 1.0 1.8 5.25 945 943 A 11 ALA HB% A 62 GLN HGx 1.0 1.8 4.10 946 943 A 11 ALA HB% A 62 GLN HGy 1.0 1.8 4.10 947 944 A 12 TYR HA A 58 LYS HGy 1.0 1.8 4.86 948 944 A 12 TYR HA A 58 LYS HGx 1.0 1.8 4.86 949 945 A 12 TYR HA A 58 LYS HDy 1.0 1.8 6.39 950 945 A 12 TYR HA A 58 LYS HDx 1.0 1.8 6.39 951 946 A 87 THR HG2% A 12 TYR HBx 1.0 1.8 3.97 952 946 A 87 THR HG2% A 12 TYR HBy 1.0 1.8 3.97 953 947 A 12 TYR HD% A 56 TYR HBy 1.0 1.8 4.87 954 947 A 12 TYR HD% A 56 TYR HBx 1.0 1.8 4.87 955 948 A 12 TYR HD% A 58 LYS HBy 1.0 1.8 4.51 956 948 A 12 TYR HD% A 58 LYS HBx 1.0 1.8 4.51 957 949 A 12 TYR HD% A 58 LYS HGy 1.0 1.8 4.80 958 949 A 12 TYR HD% A 58 LYS HGx 1.0 1.8 4.80 959 950 A 12 TYR HD% A 91 PRO HGx 1.0 1.8 5.50 960 950 A 12 TYR HD% A 91 PRO HGy 1.0 1.8 5.50 961 951 A 12 TYR HE% A 38 VAL HGy% 1.0 1.8 6.51 962 951 A 12 TYR HE% A 38 VAL HGx% 1.0 1.8 6.51 963 952 A 12 TYR HE% A 39 ASP HBx 1.0 1.8 5.63 964 952 A 12 TYR HE% A 39 ASP HBy 1.0 1.8 5.63 965 953 A 12 TYR HE% A 56 TYR HBy 1.0 1.8 4.26 966 953 A 12 TYR HE% A 56 TYR HBx 1.0 1.8 4.26 967 954 A 12 TYR HE% A 57 LEU HDy% 1.0 1.8 6.09 968 954 A 12 TYR HE% A 57 LEU HDx% 1.0 1.8 6.09 969 955 A 12 TYR HE% A 58 LYS HBy 1.0 1.8 4.08 970 955 A 12 TYR HE% A 58 LYS HBx 1.0 1.8 4.08 971 956 A 12 TYR HE% A 58 LYS HGy 1.0 1.8 4.83 972 956 A 12 TYR HE% A 58 LYS HGx 1.0 1.8 4.83 973 957 A 12 TYR HE% A 91 PRO HBy 1.0 1.8 4.84 974 957 A 12 TYR HE% A 91 PRO HBx 1.0 1.8 4.84 975 958 A 57 LEU HDx% A 13 ILE H 1.0 1.8 4.95 976 958 A 13 ILE H A 57 LEU HDy% 1.0 1.8 4.95 977 959 A 13 ILE HG2% A 57 LEU HDy% 1.0 1.8 4.99 978 959 A 13 ILE HG2% A 57 LEU HDx% 1.0 1.8 4.99 979 960 A 13 ILE HG2% A 64 SER HBx 1.0 1.8 6.28 980 960 A 13 ILE HG2% A 64 SER HBy 1.0 1.8 6.28 981 961 A 13 ILE HG2% A 69 VAL HGy% 1.0 1.8 3.42 982 961 A 13 ILE HG2% A 69 VAL HGx% 1.0 1.8 3.42 983 962 A 13 ILE HG2% A 85 ASP HBy 1.0 1.8 5.37 984 962 A 13 ILE HG2% A 85 ASP HBx 1.0 1.8 5.37 985 963 A 13 ILE HG2% A 86 HIS HBy 1.0 1.8 5.71 986 963 A 13 ILE HG2% A 86 HIS HBx 1.0 1.8 5.71 987 964 A 13 ILE HG1x A 57 LEU HDy% 1.0 1.8 3.55 988 964 A 57 LEU HDx% A 13 ILE HG1y 1.0 1.8 3.55 989 964 A 57 LEU HDx% A 13 ILE HG1x 1.0 1.8 3.55 990 964 A 13 ILE HG1y A 57 LEU HDy% 1.0 1.8 3.55 991 965 A 13 ILE HD1% A 31 PHE HBx 1.0 1.8 5.86 992 965 A 13 ILE HD1% A 31 PHE HBy 1.0 1.8 5.86 993 966 A 13 ILE HD1% A 57 LEU HDy% 1.0 1.8 3.32 994 966 A 13 ILE HD1% A 57 LEU HDx% 1.0 1.8 3.32 995 967 A 13 ILE HD1% A 69 VAL HGy% 1.0 1.8 4.27 996 967 A 13 ILE HD1% A 69 VAL HGx% 1.0 1.8 4.27 997 968 A 69 VAL HGx% A 14 TYR H 1.0 1.8 5.84 998 968 A 14 TYR H A 69 VAL HGy% 1.0 1.8 5.84 999 969 A 14 TYR HA A 85 ASP HBy 1.0 1.8 5.15 1000 969 A 14 TYR HA A 85 ASP HBx 1.0 1.8 5.15 1001 970 A 15 ILE HD1% A 14 TYR HBx 1.0 1.8 6.39 1002 970 A 15 ILE HD1% A 14 TYR HBy 1.0 1.8 6.39 1003 971 A 87 THR HG2% A 14 TYR HBx 1.0 1.8 5.16 1004 971 A 87 THR HG2% A 14 TYR HBy 1.0 1.8 5.16 1005 972 A 14 TYR HD% A 83 LYS HGy 1.0 1.8 5.05 1006 972 A 14 TYR HD% A 83 LYS HGx 1.0 1.8 5.05 1007 973 A 14 TYR HD% A 85 ASP HBy 1.0 1.8 4.14 1008 973 A 14 TYR HD% A 85 ASP HBx 1.0 1.8 4.14 1009 974 A 14 TYR HE% A 54 PHE HBy 1.0 1.8 4.42 1010 974 A 14 TYR HE% A 54 PHE HBx 1.0 1.8 4.42 1011 975 A 14 TYR HE% A 83 LYS HGy 1.0 1.8 4.87 1012 975 A 14 TYR HE% A 83 LYS HGx 1.0 1.8 4.87 1013 976 A 15 ILE HB A 18 LEU HDy% 1.0 1.8 3.96 1014 976 A 15 ILE HB A 18 LEU HDx% 1.0 1.8 3.96 1015 977 A 15 ILE HG2% A 15 ILE HG1y 1.0 1.8 3.66 1016 977 A 15 ILE HG2% A 15 ILE HG1x 1.0 1.8 3.66 1017 978 A 15 ILE HG2% A 18 LEU HDy% 1.0 1.8 3.66 1018 978 A 15 ILE HG2% A 18 LEU HDx% 1.0 1.8 3.66 1019 979 A 15 ILE HG2% A 72 LEU HBy 1.0 1.8 5.90 1020 979 A 15 ILE HG2% A 72 LEU HBx 1.0 1.8 5.90 1021 980 A 15 ILE HG2% A 72 LEU HDy% 1.0 1.8 5.24 1022 980 A 15 ILE HG2% A 72 LEU HDx% 1.0 1.8 5.24 1023 981 A 15 ILE HG2% A 82 LEU HBx 1.0 1.8 4.82 1024 981 A 15 ILE HG2% A 82 LEU HBy 1.0 1.8 4.82 1025 982 A 15 ILE HG2% A 82 LEU HDy% 1.0 1.8 3.28 1026 982 A 15 ILE HG2% A 82 LEU HDx% 1.0 1.8 3.28 1027 983 A 15 ILE HG2% A 84 ILE HG1y 1.0 1.8 5.38 1028 983 A 15 ILE HG2% A 84 ILE HG1x 1.0 1.8 5.38 1029 984 A 27 ILE HG2% A 15 ILE HG1y 1.0 1.8 5.70 1030 984 A 27 ILE HG2% A 15 ILE HG1x 1.0 1.8 5.70 1031 985 A 84 ILE HA A 15 ILE HG1y 1.0 1.8 5.39 1032 985 A 84 ILE HA A 15 ILE HG1x 1.0 1.8 5.39 1033 986 A 15 ILE HD1% A 40 VAL HGy% 1.0 1.8 4.46 1034 986 A 15 ILE HD1% A 40 VAL HGx% 1.0 1.8 4.46 1035 987 A 15 ILE HD1% A 56 TYR HBy 1.0 1.8 6.39 1036 987 A 15 ILE HD1% A 56 TYR HBx 1.0 1.8 6.39 1037 988 A 15 ILE HD1% A 57 LEU HDy% 1.0 1.8 3.98 1038 988 A 15 ILE HD1% A 57 LEU HDx% 1.0 1.8 3.98 1039 989 A 15 ILE HD1% A 82 LEU HDy% 1.0 1.8 5.35 1040 989 A 15 ILE HD1% A 82 LEU HDx% 1.0 1.8 5.35 1041 990 A 16 GLY H A 83 LYS HGy 1.0 1.8 5.85 1042 990 A 16 GLY H A 83 LYS HGx 1.0 1.8 5.85 1043 991 A 83 LYS HBy A 16 GLY HAx 1.0 1.8 6.05 1044 991 A 83 LYS HBy A 16 GLY HAy 1.0 1.8 6.05 1045 992 A 17 ASN H A 18 LEU HDy% 1.0 1.8 6.14 1046 992 A 18 LEU HDx% A 17 ASN H 1.0 1.8 6.14 1047 993 A 18 LEU HG A 17 ASN HBy 1.0 1.8 6.39 1048 993 A 18 LEU HG A 17 ASN HBx 1.0 1.8 6.39 1049 994 A 81 ALA HB% A 17 ASN HBy 1.0 1.8 5.25 1050 994 A 81 ALA HB% A 17 ASN HBx 1.0 1.8 5.25 1051 995 A 81 ALA HB% A 17 ASN HD2y 1.0 1.8 4.43 1052 995 A 81 ALA HB% A 17 ASN HD2x 1.0 1.8 4.43 1053 996 A 18 LEU H A 18 LEU HDy% 1.0 1.8 3.78 1054 996 A 18 LEU H A 18 LEU HDx% 1.0 1.8 3.78 1055 997 A 18 LEU H A 22 LEU HDy% 1.0 1.8 6.40 1056 997 A 18 LEU H A 22 LEU HDx% 1.0 1.8 6.40 1057 998 A 18 LEU HA A 18 LEU HDy% 1.0 1.8 3.87 1058 998 A 18 LEU HA A 18 LEU HDx% 1.0 1.8 3.87 1059 999 A 18 LEU HA A 22 LEU HDy% 1.0 1.8 4.69 1060 999 A 18 LEU HA A 22 LEU HDx% 1.0 1.8 4.69 1061 1000 A 18 LEU HA A 82 LEU HDy% 1.0 1.8 5.43 1062 1000 A 18 LEU HA A 82 LEU HDx% 1.0 1.8 5.43 1063 1001 A 27 ILE HG2% A 18 LEU HBx 1.0 1.8 6.38 1064 1001 A 27 ILE HG2% A 18 LEU HBy 1.0 1.8 6.38 1065 1002 A 19 ASN H A 18 LEU HDy% 1.0 1.8 4.10 1066 1002 A 19 ASN H A 18 LEU HDx% 1.0 1.8 4.10 1067 1003 A 18 LEU HDx% A 19 ASN HBy 1.0 1.8 5.17 1068 1003 A 18 LEU HDy% A 19 ASN HBy 1.0 1.8 5.17 1069 1003 A 19 ASN HBx A 18 LEU HDy% 1.0 1.8 5.17 1070 1003 A 18 LEU HDx% A 19 ASN HBx 1.0 1.8 5.17 1071 1004 A 20 ARG H A 18 LEU HDy% 1.0 1.8 5.29 1072 1004 A 18 LEU HDx% A 20 ARG H 1.0 1.8 5.29 1073 1005 A 22 LEU H A 18 LEU HDy% 1.0 1.8 5.69 1074 1005 A 22 LEU H A 18 LEU HDx% 1.0 1.8 5.69 1075 1006 A 22 LEU HG A 18 LEU HDy% 1.0 1.8 5.59 1076 1006 A 22 LEU HG A 18 LEU HDx% 1.0 1.8 5.59 1077 1007 A 18 LEU HDy% A 22 LEU HDy% 1.0 1.8 4.03 1078 1007 A 18 LEU HDx% A 22 LEU HDy% 1.0 1.8 4.03 1079 1007 A 22 LEU HDx% A 18 LEU HDy% 1.0 1.8 4.03 1080 1007 A 18 LEU HDx% A 22 LEU HDx% 1.0 1.8 4.03 1081 1008 A 18 LEU HDy% A 27 ILE HG1x 1.0 1.8 4.91 1082 1008 A 18 LEU HDx% A 27 ILE HG1x 1.0 1.8 4.91 1083 1008 A 27 ILE HG1y A 18 LEU HDy% 1.0 1.8 4.91 1084 1008 A 18 LEU HDx% A 27 ILE HG1y 1.0 1.8 4.91 1085 1009 A 27 ILE HD1% A 18 LEU HDy% 1.0 1.8 3.34 1086 1009 A 27 ILE HD1% A 18 LEU HDx% 1.0 1.8 3.34 1087 1010 A 18 LEU HDy% A 53 GLY HAx 1.0 1.8 4.48 1088 1010 A 18 LEU HDx% A 53 GLY HAx 1.0 1.8 4.48 1089 1010 A 53 GLY HAy A 18 LEU HDy% 1.0 1.8 4.48 1090 1010 A 18 LEU HDx% A 53 GLY HAy 1.0 1.8 4.48 1091 1011 A 54 PHE HA A 18 LEU HDy% 1.0 1.8 4.23 1092 1011 A 54 PHE HA A 18 LEU HDx% 1.0 1.8 4.23 1093 1012 A 18 LEU HDy% A 54 PHE HBy 1.0 1.8 5.74 1094 1012 A 18 LEU HDx% A 54 PHE HBy 1.0 1.8 5.74 1095 1012 A 54 PHE HBx A 18 LEU HDy% 1.0 1.8 5.74 1096 1012 A 54 PHE HBx A 18 LEU HDx% 1.0 1.8 5.74 1097 1013 A 54 PHE HD% A 18 LEU HDy% 1.0 1.8 6.03 1098 1013 A 54 PHE HD% A 18 LEU HDx% 1.0 1.8 6.03 1099 1014 A 18 LEU HDx% A 55 ALA H 1.0 1.8 4.69 1100 1014 A 55 ALA H A 18 LEU HDy% 1.0 1.8 4.69 1101 1015 A 55 ALA HB% A 18 LEU HDy% 1.0 1.8 3.53 1102 1015 A 55 ALA HB% A 18 LEU HDx% 1.0 1.8 3.53 1103 1016 A 19 ASN H A 22 LEU HDy% 1.0 1.8 4.14 1104 1016 A 19 ASN H A 22 LEU HDx% 1.0 1.8 4.14 1105 1017 A 19 ASN HA A 22 LEU HDy% 1.0 1.8 5.33 1106 1017 A 22 LEU HDx% A 19 ASN HA 1.0 1.8 5.33 1107 1018 A 19 ASN HBx A 22 LEU HDy% 1.0 1.8 3.63 1108 1018 A 19 ASN HBy A 22 LEU HDy% 1.0 1.8 3.63 1109 1018 A 22 LEU HDx% A 19 ASN HBy 1.0 1.8 3.63 1110 1018 A 22 LEU HDx% A 19 ASN HBx 1.0 1.8 3.63 1111 1019 A 77 ILE HG2% A 19 ASN HBy 1.0 1.8 5.06 1112 1019 A 77 ILE HG2% A 19 ASN HBx 1.0 1.8 5.06 1113 1020 A 20 ARG H A 20 ARG HDx 1.0 1.8 5.14 1114 1020 A 20 ARG H A 20 ARG HDy 1.0 1.8 5.14 1115 1021 A 20 ARG HBx A 20 ARG HDx 1.0 1.8 3.51 1116 1021 A 20 ARG HDy A 20 ARG HBy 1.0 1.8 3.51 1117 1021 A 20 ARG HDy A 20 ARG HBx 1.0 1.8 3.51 1118 1021 A 20 ARG HBy A 20 ARG HDx 1.0 1.8 3.51 1119 1022 A 21 GLU H A 20 ARG HGx 1.0 1.8 5.10 1120 1022 A 21 GLU H A 20 ARG HGy 1.0 1.8 5.10 1121 1023 A 21 GLU H A 20 ARG HDx 1.0 1.8 4.70 1122 1023 A 21 GLU H A 20 ARG HDy 1.0 1.8 4.70 1123 1024 A 21 GLU H A 22 LEU HDy% 1.0 1.8 5.07 1124 1024 A 21 GLU H A 22 LEU HDx% 1.0 1.8 5.07 1125 1025 A 22 LEU H A 22 LEU HDy% 1.0 1.8 3.76 1126 1025 A 22 LEU H A 22 LEU HDx% 1.0 1.8 3.76 1127 1026 A 22 LEU HA A 22 LEU HDy% 1.0 1.8 3.88 1128 1026 A 22 LEU HA A 22 LEU HDx% 1.0 1.8 3.88 1129 1027 A 23 THR H A 22 LEU HDy% 1.0 1.8 3.99 1130 1027 A 23 THR H A 22 LEU HDx% 1.0 1.8 3.99 1131 1028 A 23 THR HG2% A 22 LEU HDy% 1.0 1.8 5.35 1132 1028 A 23 THR HG2% A 22 LEU HDx% 1.0 1.8 5.35 1133 1029 A 26 ASP H A 22 LEU HDy% 1.0 1.8 5.64 1134 1029 A 22 LEU HDx% A 26 ASP H 1.0 1.8 5.64 1135 1030 A 22 LEU HDx% A 26 ASP HBy 1.0 1.8 4.27 1136 1030 A 26 ASP HBx A 22 LEU HDy% 1.0 1.8 4.27 1137 1030 A 22 LEU HDx% A 26 ASP HBx 1.0 1.8 4.27 1138 1030 A 22 LEU HDy% A 26 ASP HBy 1.0 1.8 4.27 1139 1031 A 26 ASP HBx A 22 LEU HDy% 1.0 1.8 6.78 1140 1032 A 27 ILE H A 22 LEU HDy% 1.0 1.8 4.77 1141 1032 A 27 ILE H A 22 LEU HDx% 1.0 1.8 4.77 1142 1033 A 23 THR HA A 42 LEU HDy% 1.0 1.8 4.22 1143 1033 A 23 THR HA A 42 LEU HDx% 1.0 1.8 4.22 1144 1034 A 23 THR HG2% A 42 LEU HDy% 1.0 1.8 5.42 1145 1034 A 23 THR HG2% A 42 LEU HDx% 1.0 1.8 5.42 1146 1035 A 24 GLU H A 42 LEU HDy% 1.0 1.8 4.36 1147 1035 A 24 GLU H A 42 LEU HDx% 1.0 1.8 4.36 1148 1036 A 24 GLU HA A 24 GLU HGx 1.0 1.8 4.10 1149 1036 A 24 GLU HA A 24 GLU HGy 1.0 1.8 4.10 1150 1037 A 24 GLU HA A 40 VAL HGy% 1.0 1.8 3.94 1151 1037 A 24 GLU HA A 40 VAL HGx% 1.0 1.8 3.94 1152 1038 A 40 VAL HB A 24 GLU HGx 1.0 1.8 5.64 1153 1038 A 40 VAL HB A 24 GLU HGy 1.0 1.8 5.64 1154 1039 A 24 GLU HGy A 40 VAL HGy% 1.0 1.8 3.82 1155 1039 A 24 GLU HGx A 40 VAL HGy% 1.0 1.8 3.82 1156 1039 A 40 VAL HGx% A 24 GLU HGx 1.0 1.8 3.82 1157 1039 A 40 VAL HGx% A 24 GLU HGy 1.0 1.8 3.82 1158 1040 A 24 GLU HGx A 42 LEU HBx 1.0 1.8 4.23 1159 1040 A 24 GLU HGy A 42 LEU HBx 1.0 1.8 4.23 1160 1040 A 42 LEU HBy A 24 GLU HGx 1.0 1.8 4.23 1161 1040 A 24 GLU HGy A 42 LEU HBy 1.0 1.8 4.23 1162 1041 A 24 GLU HGx A 42 LEU HDy% 1.0 1.8 3.66 1163 1041 A 24 GLU HGy A 42 LEU HDy% 1.0 1.8 3.66 1164 1041 A 42 LEU HDx% A 24 GLU HGx 1.0 1.8 3.66 1165 1041 A 42 LEU HDx% A 24 GLU HGy 1.0 1.8 3.66 1166 1042 A 25 GLY H A 40 VAL HGy% 1.0 1.8 6.08 1167 1042 A 40 VAL HGx% A 25 GLY H 1.0 1.8 6.08 1168 1043 A 25 GLY HAx A 28 LEU HDy% 1.0 1.8 4.14 1169 1043 A 25 GLY HAy A 28 LEU HDy% 1.0 1.8 4.14 1170 1043 A 28 LEU HDx% A 25 GLY HAx 1.0 1.8 4.14 1171 1043 A 25 GLY HAy A 28 LEU HDx% 1.0 1.8 4.14 1172 1044 A 27 ILE HD1% A 26 ASP HBy 1.0 1.8 5.02 1173 1044 A 27 ILE HD1% A 26 ASP HBx 1.0 1.8 5.02 1174 1045 A 27 ILE H A 27 ILE HG1x 1.0 1.8 4.38 1175 1045 A 27 ILE H A 27 ILE HG1y 1.0 1.8 4.38 1176 1046 A 27 ILE HA A 30 VAL HGy% 1.0 1.8 4.26 1177 1046 A 27 ILE HA A 30 VAL HGx% 1.0 1.8 4.26 1178 1047 A 27 ILE HA A 40 VAL HGy% 1.0 1.8 6.51 1179 1047 A 27 ILE HA A 40 VAL HGx% 1.0 1.8 6.51 1180 1048 A 27 ILE HB A 30 VAL HGy% 1.0 1.8 4.86 1181 1048 A 27 ILE HB A 30 VAL HGx% 1.0 1.8 4.86 1182 1049 A 27 ILE HB A 40 VAL HGy% 1.0 1.8 4.69 1183 1049 A 27 ILE HB A 40 VAL HGx% 1.0 1.8 4.69 1184 1050 A 27 ILE HG2% A 27 ILE HG1x 1.0 1.8 3.31 1185 1050 A 27 ILE HG2% A 27 ILE HG1y 1.0 1.8 3.31 1186 1051 A 27 ILE HG2% A 30 VAL HGy% 1.0 1.8 5.08 1187 1051 A 27 ILE HG2% A 30 VAL HGx% 1.0 1.8 5.08 1188 1052 A 27 ILE HG2% A 31 PHE HBx 1.0 1.8 4.48 1189 1052 A 27 ILE HG2% A 31 PHE HBy 1.0 1.8 4.48 1190 1053 A 27 ILE HG2% A 40 VAL HGy% 1.0 1.8 3.19 1191 1053 A 27 ILE HG2% A 40 VAL HGx% 1.0 1.8 3.19 1192 1054 A 27 ILE HG2% A 57 LEU HDy% 1.0 1.8 3.55 1193 1054 A 27 ILE HG2% A 57 LEU HDx% 1.0 1.8 3.55 1194 1055 A 27 ILE HD1% A 40 VAL HGy% 1.0 1.8 3.88 1195 1055 A 27 ILE HD1% A 40 VAL HGx% 1.0 1.8 3.88 1196 1056 A 27 ILE HD1% A 57 LEU HDy% 1.0 1.8 5.24 1197 1056 A 27 ILE HD1% A 57 LEU HDx% 1.0 1.8 5.24 1198 1057 A 28 LEU H A 40 VAL HGy% 1.0 1.8 4.43 1199 1057 A 28 LEU H A 40 VAL HGx% 1.0 1.8 4.43 1200 1058 A 28 LEU HA A 28 LEU HDy% 1.0 1.8 3.39 1201 1058 A 28 LEU HA A 28 LEU HDx% 1.0 1.8 3.39 1202 1059 A 28 LEU HA A 40 VAL HGy% 1.0 1.8 4.50 1203 1059 A 28 LEU HA A 40 VAL HGx% 1.0 1.8 4.50 1204 1060 A 28 LEU HA A 57 LEU HDy% 1.0 1.8 5.36 1205 1060 A 28 LEU HA A 57 LEU HDx% 1.0 1.8 5.36 1206 1061 A 28 LEU HBx A 28 LEU HDy% 1.0 1.8 3.20 1207 1061 A 28 LEU HBx A 28 LEU HDx% 1.0 1.8 3.20 1208 1062 A 28 LEU HBx A 40 VAL HGy% 1.0 1.8 5.25 1209 1062 A 28 LEU HBx A 40 VAL HGx% 1.0 1.8 5.25 1210 1063 A 28 LEU HBy A 28 LEU HDy% 1.0 1.8 3.16 1211 1063 A 28 LEU HBy A 28 LEU HDx% 1.0 1.8 3.16 1212 1064 A 28 LEU HBy B 318 ARG HDx 1.0 1.8 4.49 1213 1064 A 28 LEU HBy B 318 ARG HDy 1.0 1.8 4.49 1214 1065 A 28 LEU HDx% A 29 THR H 1.0 1.8 4.58 1215 1065 A 29 THR H A 28 LEU HDy% 1.0 1.8 4.58 1216 1066 A 31 PHE H A 28 LEU HDy% 1.0 1.8 5.46 1217 1066 A 28 LEU HDx% A 31 PHE H 1.0 1.8 5.46 1218 1067 A 31 PHE HD% A 28 LEU HDy% 1.0 1.8 5.96 1219 1067 A 31 PHE HD% A 28 LEU HDx% 1.0 1.8 5.96 1220 1068 A 32 SER H A 28 LEU HDy% 1.0 1.8 4.88 1221 1068 A 28 LEU HDx% A 32 SER H 1.0 1.8 4.88 1222 1069 A 36 VAL HA A 28 LEU HDy% 1.0 1.8 4.40 1223 1069 A 28 LEU HDx% A 36 VAL HA 1.0 1.8 4.40 1224 1070 A 28 LEU HDx% A 36 VAL HGy% 1.0 1.8 4.81 1225 1070 A 28 LEU HDy% A 36 VAL HGy% 1.0 1.8 4.81 1226 1070 A 36 VAL HGx% A 28 LEU HDy% 1.0 1.8 4.81 1227 1070 A 28 LEU HDx% A 36 VAL HGx% 1.0 1.8 4.81 1228 1071 A 28 LEU HDx% A 37 PRO HBy 1.0 1.8 4.13 1229 1071 A 28 LEU HDy% A 37 PRO HBy 1.0 1.8 4.13 1230 1071 A 37 PRO HBx A 28 LEU HDy% 1.0 1.8 4.13 1231 1071 A 28 LEU HDx% A 37 PRO HBx 1.0 1.8 4.13 1232 1072 A 28 LEU HDx% A 37 PRO HGx 1.0 1.8 3.34 1233 1072 A 28 LEU HDy% A 37 PRO HGx 1.0 1.8 3.34 1234 1072 A 37 PRO HGy A 28 LEU HDy% 1.0 1.8 3.34 1235 1072 A 28 LEU HDx% A 37 PRO HGy 1.0 1.8 3.34 1236 1073 A 37 PRO HDx A 28 LEU HDy% 1.0 1.8 4.85 1237 1073 A 37 PRO HDx A 28 LEU HDx% 1.0 1.8 4.85 1238 1074 A 38 VAL H A 28 LEU HDy% 1.0 1.8 5.02 1239 1074 A 38 VAL H A 28 LEU HDx% 1.0 1.8 5.02 1240 1075 A 38 VAL HA A 28 LEU HDy% 1.0 1.8 4.64 1241 1075 A 38 VAL HA A 28 LEU HDx% 1.0 1.8 4.64 1242 1076 A 28 LEU HDy% A 57 LEU HDy% 1.0 1.8 3.74 1243 1076 A 57 LEU HDx% A 28 LEU HDy% 1.0 1.8 3.74 1244 1076 A 57 LEU HDx% A 28 LEU HDx% 1.0 1.8 3.74 1245 1076 A 28 LEU HDx% A 57 LEU HDy% 1.0 1.8 3.74 1246 1077 A 28 LEU HDx% B 318 ARG HBx 1.0 1.8 4.38 1247 1077 B 318 ARG HBy A 28 LEU HDy% 1.0 1.8 4.38 1248 1077 A 28 LEU HDx% B 318 ARG HBy 1.0 1.8 4.38 1249 1077 A 28 LEU HDy% B 318 ARG HBx 1.0 1.8 4.38 1250 1078 A 28 LEU HDx% B 318 ARG HBx 1.0 1.8 6.96 1251 1079 A 28 LEU HDy% B 318 ARG HBx 1.0 1.8 6.96 1252 1080 A 28 LEU HDy% B 318 ARG HGy 1.0 1.8 3.58 1253 1080 A 28 LEU HDx% B 318 ARG HGy 1.0 1.8 3.58 1254 1080 B 318 ARG HGx A 28 LEU HDy% 1.0 1.8 3.58 1255 1080 A 28 LEU HDx% B 318 ARG HGx 1.0 1.8 3.58 1256 1081 A 28 LEU HDx% B 318 ARG HDx 1.0 1.8 3.30 1257 1081 A 28 LEU HDy% B 318 ARG HDx 1.0 1.8 3.30 1258 1081 B 318 ARG HDy A 28 LEU HDy% 1.0 1.8 3.30 1259 1081 A 28 LEU HDx% B 318 ARG HDy 1.0 1.8 3.30 1260 1082 A 30 VAL HGx% A 29 THR H 1.0 1.8 4.82 1261 1082 A 29 THR H A 30 VAL HGy% 1.0 1.8 4.82 1262 1083 A 29 THR HB A 30 VAL HGy% 1.0 1.8 4.38 1263 1083 A 29 THR HB A 30 VAL HGx% 1.0 1.8 4.38 1264 1084 A 29 THR HG2% A 30 VAL HGy% 1.0 1.8 4.55 1265 1084 A 29 THR HG2% A 30 VAL HGx% 1.0 1.8 4.55 1266 1085 A 29 THR HG2% B 319 TRP HBy 1.0 1.8 5.80 1267 1085 A 29 THR HG2% B 319 TRP HBx 1.0 1.8 5.80 1268 1086 A 30 VAL HGx% A 30 VAL H 1.0 1.8 3.51 1269 1086 A 30 VAL H A 30 VAL HGy% 1.0 1.8 3.51 1270 1087 A 31 PHE HA A 30 VAL HGy% 1.0 1.8 4.60 1271 1087 A 31 PHE HA A 30 VAL HGx% 1.0 1.8 4.60 1272 1088 A 31 PHE HD% A 30 VAL HGy% 1.0 1.8 3.95 1273 1088 A 31 PHE HD% A 30 VAL HGx% 1.0 1.8 3.95 1274 1089 A 31 PHE HE% A 30 VAL HGy% 1.0 1.8 4.64 1275 1089 A 31 PHE HE% A 30 VAL HGx% 1.0 1.8 4.64 1276 1090 A 32 SER H A 30 VAL HGy% 1.0 1.8 4.92 1277 1090 A 30 VAL HGx% A 32 SER H 1.0 1.8 4.92 1278 1091 A 33 GLU H A 30 VAL HGy% 1.0 1.8 6.41 1279 1091 A 30 VAL HGx% A 33 GLU H 1.0 1.8 6.41 1280 1092 A 34 TYR HE% A 30 VAL HGy% 1.0 1.8 5.93 1281 1092 A 34 TYR HE% A 30 VAL HGx% 1.0 1.8 5.93 1282 1093 A 30 VAL HGx% A 57 LEU HDy% 1.0 1.8 6.26 1283 1093 A 30 VAL HGy% A 57 LEU HDy% 1.0 1.8 6.26 1284 1093 A 57 LEU HDx% A 30 VAL HGy% 1.0 1.8 6.26 1285 1093 A 57 LEU HDx% A 30 VAL HGx% 1.0 1.8 6.26 1286 1094 A 30 VAL HGx% A 72 LEU HDy% 1.0 1.8 3.34 1287 1094 A 30 VAL HGy% A 72 LEU HDy% 1.0 1.8 3.34 1288 1094 A 72 LEU HDx% A 30 VAL HGy% 1.0 1.8 3.34 1289 1094 A 72 LEU HDx% A 30 VAL HGx% 1.0 1.8 3.34 1290 1095 A 30 VAL HGy% A 77 ILE HG1y 1.0 1.8 4.41 1291 1095 A 30 VAL HGx% A 77 ILE HG1y 1.0 1.8 4.41 1292 1095 A 77 ILE HG1x A 30 VAL HGy% 1.0 1.8 4.41 1293 1095 A 30 VAL HGx% A 77 ILE HG1x 1.0 1.8 4.41 1294 1096 A 77 ILE HD1% A 30 VAL HGy% 1.0 1.8 3.58 1295 1096 A 77 ILE HD1% A 30 VAL HGx% 1.0 1.8 3.58 1296 1097 A 57 LEU HDx% A 31 PHE H 1.0 1.8 5.65 1297 1097 A 31 PHE H A 57 LEU HDy% 1.0 1.8 5.65 1298 1098 A 31 PHE HA A 72 LEU HDy% 1.0 1.8 4.43 1299 1098 A 31 PHE HA A 72 LEU HDx% 1.0 1.8 4.43 1300 1099 A 31 PHE HBy A 57 LEU HDy% 1.0 1.8 3.87 1301 1099 A 31 PHE HBx A 57 LEU HDy% 1.0 1.8 3.87 1302 1099 A 57 LEU HDx% A 31 PHE HBx 1.0 1.8 3.87 1303 1099 A 57 LEU HDx% A 31 PHE HBy 1.0 1.8 3.87 1304 1100 A 31 PHE HBy A 57 LEU HDy% 1.0 1.8 6.51 1305 1101 A 68 ALA HB% A 31 PHE HBx 1.0 1.8 5.80 1306 1101 A 68 ALA HB% A 31 PHE HBy 1.0 1.8 5.80 1307 1102 A 31 PHE HD% A 57 LEU HDy% 1.0 1.8 4.08 1308 1102 A 31 PHE HD% A 57 LEU HDx% 1.0 1.8 4.08 1309 1103 A 31 PHE HD% A 72 LEU HDy% 1.0 1.8 4.55 1310 1103 A 31 PHE HD% A 72 LEU HDx% 1.0 1.8 4.55 1311 1104 A 31 PHE HE% A 57 LEU HDy% 1.0 1.8 4.48 1312 1104 A 31 PHE HE% A 57 LEU HDx% 1.0 1.8 4.48 1313 1105 A 31 PHE HE% A 69 VAL HGy% 1.0 1.8 5.61 1314 1105 A 31 PHE HE% A 69 VAL HGx% 1.0 1.8 5.61 1315 1106 A 31 PHE HE% A 72 LEU HDy% 1.0 1.8 4.51 1316 1106 A 31 PHE HE% A 72 LEU HDx% 1.0 1.8 4.51 1317 1107 A 32 SER HA A 37 PRO HGx 1.0 1.8 5.16 1318 1107 A 32 SER HA A 37 PRO HGy 1.0 1.8 5.16 1319 1108 A 68 ALA HB% A 34 TYR HBx 1.0 1.8 5.71 1320 1108 A 68 ALA HB% A 34 TYR HBy 1.0 1.8 5.71 1321 1109 A 34 TYR HBy A 72 LEU HDy% 1.0 1.8 4.93 1322 1109 A 34 TYR HBx A 72 LEU HDy% 1.0 1.8 4.93 1323 1109 A 72 LEU HDx% A 34 TYR HBx 1.0 1.8 4.93 1324 1109 A 72 LEU HDx% A 34 TYR HBy 1.0 1.8 4.93 1325 1110 A 34 TYR HD% A 72 LEU HDy% 1.0 1.8 4.48 1326 1110 A 34 TYR HD% A 72 LEU HDx% 1.0 1.8 4.48 1327 1111 A 34 TYR HE% A 67 LEU HBx 1.0 1.8 5.03 1328 1111 A 34 TYR HE% A 67 LEU HBy 1.0 1.8 5.03 1329 1112 A 34 TYR HE% A 72 LEU HDy% 1.0 1.8 3.88 1330 1112 A 34 TYR HE% A 72 LEU HDx% 1.0 1.8 3.88 1331 1113 B 313 ILE HD1% A 35 GLY HAy 1.0 1.8 4.23 1332 1113 B 313 ILE HD1% A 35 GLY HAx 1.0 1.8 4.23 1333 1114 A 36 VAL H A 36 VAL HGy% 1.0 1.8 3.94 1334 1114 A 36 VAL H A 36 VAL HGx% 1.0 1.8 3.94 1335 1115 A 36 VAL HA A 37 PRO HGx 1.0 1.8 5.48 1336 1115 A 36 VAL HA A 37 PRO HGy 1.0 1.8 5.48 1337 1116 A 37 PRO HDx A 36 VAL HGy% 1.0 1.8 4.37 1338 1116 A 37 PRO HDx A 36 VAL HGx% 1.0 1.8 4.37 1339 1117 A 37 PRO HA A 38 VAL HGy% 1.0 1.8 4.32 1340 1117 A 37 PRO HA A 38 VAL HGx% 1.0 1.8 4.32 1341 1118 A 37 PRO HA A 57 LEU HDy% 1.0 1.8 4.76 1342 1118 A 37 PRO HA A 57 LEU HDx% 1.0 1.8 4.76 1343 1119 A 37 PRO HBx A 57 LEU HDy% 1.0 1.8 3.40 1344 1119 A 37 PRO HBy A 57 LEU HDy% 1.0 1.8 3.40 1345 1119 A 57 LEU HDx% A 37 PRO HBy 1.0 1.8 3.40 1346 1119 A 57 LEU HDx% A 37 PRO HBx 1.0 1.8 3.40 1347 1120 A 37 PRO HGx A 57 LEU HDy% 1.0 1.8 3.77 1348 1120 A 37 PRO HGy A 57 LEU HDy% 1.0 1.8 3.77 1349 1120 A 57 LEU HDx% A 37 PRO HGx 1.0 1.8 3.77 1350 1120 A 57 LEU HDx% A 37 PRO HGy 1.0 1.8 3.77 1351 1121 A 38 VAL H A 38 VAL HGy% 1.0 1.8 3.48 1352 1121 A 38 VAL H A 38 VAL HGx% 1.0 1.8 3.48 1353 1122 A 38 VAL HA A 38 VAL HGy% 1.0 1.8 3.19 1354 1122 A 38 VAL HA A 38 VAL HGx% 1.0 1.8 3.19 1355 1123 A 38 VAL HGx% A 39 ASP H 1.0 1.8 3.63 1356 1123 A 39 ASP H A 38 VAL HGy% 1.0 1.8 3.63 1357 1124 A 39 ASP HA A 38 VAL HGy% 1.0 1.8 4.87 1358 1124 A 39 ASP HA A 38 VAL HGx% 1.0 1.8 4.87 1359 1125 A 38 VAL HGx% A 39 ASP HBx 1.0 1.8 4.20 1360 1125 A 38 VAL HGy% A 39 ASP HBx 1.0 1.8 4.20 1361 1125 A 39 ASP HBy A 38 VAL HGy% 1.0 1.8 4.20 1362 1125 A 38 VAL HGx% A 39 ASP HBy 1.0 1.8 4.20 1363 1126 A 38 VAL HGx% A 58 LYS H 1.0 1.8 4.66 1364 1126 A 58 LYS H A 38 VAL HGy% 1.0 1.8 4.66 1365 1127 A 58 LYS HA A 38 VAL HGy% 1.0 1.8 4.89 1366 1127 A 58 LYS HA A 38 VAL HGx% 1.0 1.8 4.89 1367 1128 A 38 VAL HGx% A 58 LYS HBy 1.0 1.8 4.17 1368 1128 A 38 VAL HGy% A 58 LYS HBy 1.0 1.8 4.17 1369 1128 A 58 LYS HBx A 38 VAL HGy% 1.0 1.8 4.17 1370 1128 A 58 LYS HBx A 38 VAL HGx% 1.0 1.8 4.17 1371 1129 A 38 VAL HGy% A 58 LYS HDy 1.0 1.8 3.82 1372 1129 A 38 VAL HGx% A 58 LYS HDy 1.0 1.8 3.82 1373 1129 A 58 LYS HDx A 38 VAL HGy% 1.0 1.8 3.82 1374 1129 A 58 LYS HDx A 38 VAL HGx% 1.0 1.8 3.82 1375 1130 A 38 VAL HGx% A 58 LYS HEx 1.0 1.8 4.55 1376 1130 A 58 LYS HEy A 38 VAL HGy% 1.0 1.8 4.55 1377 1130 A 38 VAL HGx% A 58 LYS HEy 1.0 1.8 4.55 1378 1130 A 38 VAL HGy% A 58 LYS HEx 1.0 1.8 4.55 1379 1131 A 59 TYR HA A 38 VAL HGy% 1.0 1.8 4.14 1380 1131 A 59 TYR HA A 38 VAL HGx% 1.0 1.8 4.14 1381 1132 A 60 GLU HA A 38 VAL HGy% 1.0 1.8 3.67 1382 1132 A 60 GLU HA A 38 VAL HGx% 1.0 1.8 3.67 1383 1133 A 38 VAL HGx% A 60 GLU HBy 1.0 1.8 4.35 1384 1133 A 38 VAL HGy% A 60 GLU HBy 1.0 1.8 4.35 1385 1133 A 60 GLU HBx A 38 VAL HGy% 1.0 1.8 4.35 1386 1133 A 38 VAL HGx% A 60 GLU HBx 1.0 1.8 4.35 1387 1134 A 38 VAL HGx% A 60 GLU HGy 1.0 1.8 4.31 1388 1134 A 38 VAL HGy% A 60 GLU HGy 1.0 1.8 4.31 1389 1134 A 60 GLU HGx A 38 VAL HGy% 1.0 1.8 4.31 1390 1134 A 38 VAL HGx% A 60 GLU HGx 1.0 1.8 4.31 1391 1135 A 61 ASP H A 38 VAL HGy% 1.0 1.8 5.46 1392 1135 A 61 ASP H A 38 VAL HGx% 1.0 1.8 5.46 1393 1136 A 40 VAL HGx% A 39 ASP H 1.0 1.8 6.12 1394 1136 A 39 ASP H A 40 VAL HGy% 1.0 1.8 6.12 1395 1137 A 39 ASP HA A 40 VAL HGy% 1.0 1.8 4.93 1396 1137 A 39 ASP HA A 40 VAL HGx% 1.0 1.8 4.93 1397 1138 A 39 ASP HBx A 58 LYS HBy 1.0 1.8 5.05 1398 1138 A 39 ASP HBy A 58 LYS HBy 1.0 1.8 5.05 1399 1138 A 58 LYS HBx A 39 ASP HBx 1.0 1.8 5.05 1400 1138 A 58 LYS HBx A 39 ASP HBy 1.0 1.8 5.05 1401 1139 A 39 ASP HBx A 58 LYS HGy 1.0 1.8 4.51 1402 1139 A 39 ASP HBy A 58 LYS HGy 1.0 1.8 4.51 1403 1139 A 58 LYS HGx A 39 ASP HBx 1.0 1.8 4.51 1404 1139 A 58 LYS HGx A 39 ASP HBy 1.0 1.8 4.51 1405 1140 A 40 VAL H A 40 VAL HGy% 1.0 1.8 3.69 1406 1140 A 40 VAL H A 40 VAL HGx% 1.0 1.8 3.69 1407 1141 A 40 VAL HA A 40 VAL HGy% 1.0 1.8 3.47 1408 1141 A 40 VAL HA A 40 VAL HGx% 1.0 1.8 3.47 1409 1142 A 40 VAL HB A 57 LEU HDy% 1.0 1.8 4.84 1410 1142 A 40 VAL HB A 57 LEU HDx% 1.0 1.8 4.84 1411 1143 A 41 ILE HA A 40 VAL HGy% 1.0 1.8 4.75 1412 1143 A 41 ILE HA A 40 VAL HGx% 1.0 1.8 4.75 1413 1144 A 42 LEU H A 40 VAL HGy% 1.0 1.8 5.09 1414 1144 A 42 LEU H A 40 VAL HGx% 1.0 1.8 5.09 1415 1145 A 57 LEU H A 40 VAL HGy% 1.0 1.8 4.79 1416 1145 A 40 VAL HGx% A 57 LEU H 1.0 1.8 4.79 1417 1146 A 57 LEU HA A 40 VAL HGy% 1.0 1.8 4.00 1418 1146 A 57 LEU HA A 40 VAL HGx% 1.0 1.8 4.00 1419 1147 A 57 LEU HG A 40 VAL HGy% 1.0 1.8 4.31 1420 1147 A 57 LEU HG A 40 VAL HGx% 1.0 1.8 4.31 1421 1148 A 40 VAL HGy% A 57 LEU HDy% 1.0 1.8 3.17 1422 1148 A 57 LEU HDx% A 40 VAL HGy% 1.0 1.8 3.17 1423 1148 A 57 LEU HDx% A 40 VAL HGx% 1.0 1.8 3.17 1424 1148 A 40 VAL HGx% A 57 LEU HDy% 1.0 1.8 3.17 1425 1149 A 40 VAL HGx% A 58 LYS H 1.0 1.8 4.77 1426 1149 A 58 LYS H A 40 VAL HGy% 1.0 1.8 4.77 1427 1150 A 57 LEU HDx% A 41 ILE H 1.0 1.8 6.51 1428 1150 A 41 ILE H A 57 LEU HDy% 1.0 1.8 6.51 1429 1151 A 41 ILE HG2% A 43 SER HBx 1.0 1.8 5.63 1430 1151 A 41 ILE HG2% A 43 SER HBy 1.0 1.8 5.63 1431 1152 A 41 ILE HG2% A 56 TYR HBy 1.0 1.8 4.26 1432 1152 A 41 ILE HG2% A 56 TYR HBx 1.0 1.8 4.26 1433 1153 A 41 ILE HD1% A 56 TYR HBy 1.0 1.8 3.66 1434 1153 A 41 ILE HD1% A 56 TYR HBx 1.0 1.8 3.66 1435 1154 A 42 LEU H A 42 LEU HDy% 1.0 1.8 4.69 1436 1154 A 42 LEU H A 42 LEU HDx% 1.0 1.8 4.69 1437 1155 A 42 LEU HA A 42 LEU HDy% 1.0 1.8 3.40 1438 1155 A 42 LEU HA A 42 LEU HDx% 1.0 1.8 3.40 1439 1156 A 42 LEU HA A 43 SER HBx 1.0 1.8 4.92 1440 1156 A 42 LEU HA A 43 SER HBy 1.0 1.8 4.92 1441 1157 A 43 SER H A 42 LEU HDy% 1.0 1.8 4.22 1442 1157 A 42 LEU HDx% A 43 SER H 1.0 1.8 4.22 1443 1158 A 43 SER HA A 42 LEU HDy% 1.0 1.8 6.48 1444 1158 A 43 SER HA A 42 LEU HDx% 1.0 1.8 6.48 1445 1159 A 42 LEU HDx% A 43 SER HBx 1.0 1.8 5.81 1446 1159 A 43 SER HBy A 42 LEU HDy% 1.0 1.8 5.81 1447 1159 A 42 LEU HDx% A 43 SER HBy 1.0 1.8 5.81 1448 1159 A 42 LEU HDy% A 43 SER HBx 1.0 1.8 5.81 1449 1160 A 55 ALA HA A 42 LEU HDy% 1.0 1.8 4.44 1450 1160 A 55 ALA HA A 42 LEU HDx% 1.0 1.8 4.44 1451 1161 A 42 LEU HDx% A 56 TYR H 1.0 1.8 5.60 1452 1161 A 56 TYR H A 42 LEU HDy% 1.0 1.8 5.60 1453 1162 A 54 PHE HE% A 43 SER HBx 1.0 1.8 4.53 1454 1162 A 54 PHE HE% A 43 SER HBy 1.0 1.8 4.53 1455 1163 A 44 ARG H A 44 ARG HDy 1.0 1.8 5.17 1456 1163 A 44 ARG H A 44 ARG HDx 1.0 1.8 5.17 1457 1164 A 45 ASP HA A 46 GLU HGx 1.0 1.8 4.94 1458 1164 A 45 ASP HA A 46 GLU HGy 1.0 1.8 4.94 1459 1165 A 46 GLU H A 46 GLU HGx 1.0 1.8 5.02 1460 1165 A 46 GLU HGy A 46 GLU H 1.0 1.8 5.02 1461 1166 A 46 GLU HA A 46 GLU HGx 1.0 1.8 4.05 1462 1166 A 46 GLU HGy A 46 GLU HA 1.0 1.8 4.05 1463 1167 A 47 ASN H A 46 GLU HGx 1.0 1.8 4.97 1464 1167 A 47 ASN H A 46 GLU HGy 1.0 1.8 4.97 1465 1168 A 48 THR HG2% A 47 ASN HBy 1.0 1.8 4.21 1466 1168 A 48 THR HG2% A 47 ASN HBx 1.0 1.8 4.21 1467 1169 A 48 THR H A 49 GLY HAy 1.0 1.8 5.01 1468 1169 A 48 THR H A 49 GLY HAx 1.0 1.8 5.01 1469 1170 A 48 THR HG2% A 49 GLY HAy 1.0 1.8 4.71 1470 1170 A 48 THR HG2% A 49 GLY HAx 1.0 1.8 4.71 1471 1171 A 48 THR HG2% A 50 GLU HGy 1.0 1.8 5.15 1472 1171 A 48 THR HG2% A 50 GLU HGx 1.0 1.8 5.15 1473 1172 A 50 GLU H A 50 GLU HGy 1.0 1.8 4.75 1474 1172 A 50 GLU H A 50 GLU HGx 1.0 1.8 4.75 1475 1173 A 51 SER H A 50 GLU HGy 1.0 1.8 4.82 1476 1173 A 50 GLU HGx A 51 SER H 1.0 1.8 4.82 1477 1174 A 52 GLN H A 52 GLN HGx 1.0 1.8 4.61 1478 1174 A 52 GLN H A 52 GLN HGy 1.0 1.8 4.61 1479 1175 A 52 GLN HA A 52 GLN HGx 1.0 1.8 3.88 1480 1175 A 52 GLN HA A 52 GLN HGy 1.0 1.8 3.88 1481 1176 A 55 ALA HB% A 54 PHE HBy 1.0 1.8 6.39 1482 1176 A 55 ALA HB% A 54 PHE HBx 1.0 1.8 6.39 1483 1177 A 57 LEU HDx% A 57 LEU H 1.0 1.8 4.75 1484 1177 A 57 LEU H A 57 LEU HDy% 1.0 1.8 4.75 1485 1178 A 57 LEU HA A 57 LEU HDy% 1.0 1.8 4.08 1486 1178 A 57 LEU HA A 57 LEU HDx% 1.0 1.8 4.08 1487 1179 A 57 LEU HDx% A 58 LYS H 1.0 1.8 4.18 1488 1179 A 58 LYS H A 57 LEU HDy% 1.0 1.8 4.18 1489 1180 A 58 LYS HA A 57 LEU HDy% 1.0 1.8 4.94 1490 1180 A 58 LYS HA A 57 LEU HDx% 1.0 1.8 4.94 1491 1181 A 59 TYR H A 57 LEU HDy% 1.0 1.8 4.26 1492 1181 A 59 TYR H A 57 LEU HDx% 1.0 1.8 4.26 1493 1182 A 59 TYR HA A 57 LEU HDy% 1.0 1.8 4.71 1494 1182 A 59 TYR HA A 57 LEU HDx% 1.0 1.8 4.71 1495 1183 A 65 THR HA A 57 LEU HDy% 1.0 1.8 5.53 1496 1183 A 65 THR HA A 57 LEU HDx% 1.0 1.8 5.53 1497 1184 A 65 THR HG2% A 57 LEU HDy% 1.0 1.8 5.14 1498 1184 A 65 THR HG2% A 57 LEU HDx% 1.0 1.8 5.14 1499 1185 A 68 ALA HB% A 57 LEU HDy% 1.0 1.8 5.46 1500 1185 A 68 ALA HB% A 57 LEU HDx% 1.0 1.8 5.46 1501 1186 A 58 LYS HBx A 58 LYS HEx 1.0 1.8 4.86 1502 1186 A 58 LYS HEy A 58 LYS HBy 1.0 1.8 4.86 1503 1186 A 58 LYS HBx A 58 LYS HEy 1.0 1.8 4.86 1504 1186 A 58 LYS HBy A 58 LYS HEx 1.0 1.8 4.86 1505 1187 A 58 LYS HEy A 58 LYS HGy 1.0 1.8 3.65 1506 1187 A 58 LYS HGx A 58 LYS HEx 1.0 1.8 3.65 1507 1187 A 58 LYS HGx A 58 LYS HEy 1.0 1.8 3.65 1508 1187 A 58 LYS HEx A 58 LYS HGy 1.0 1.8 3.65 1509 1188 A 65 THR HG2% A 59 TYR HBx 1.0 1.8 5.25 1510 1188 A 65 THR HG2% A 59 TYR HBy 1.0 1.8 5.25 1511 1189 A 60 GLU H A 60 GLU HGy 1.0 1.8 5.06 1512 1189 A 60 GLU H A 60 GLU HGx 1.0 1.8 5.06 1513 1190 A 60 GLU HA A 60 GLU HGy 1.0 1.8 3.82 1514 1190 A 60 GLU HA A 60 GLU HGx 1.0 1.8 3.82 1515 1191 A 61 ASP H A 60 GLU HGy 1.0 1.8 5.82 1516 1191 A 61 ASP H A 60 GLU HGx 1.0 1.8 5.82 1517 1192 A 65 THR HG2% A 62 GLN HBx 1.0 1.8 5.30 1518 1192 A 65 THR HG2% A 62 GLN HBy 1.0 1.8 5.30 1519 1193 A 65 THR HG2% A 62 GLN HGx 1.0 1.8 5.65 1520 1193 A 65 THR HG2% A 62 GLN HGy 1.0 1.8 5.65 1521 1194 A 65 THR HG2% A 62 GLN HE2y 1.0 1.8 6.39 1522 1194 A 65 THR HG2% A 62 GLN HE2x 1.0 1.8 6.39 1523 1195 A 64 SER HA A 67 LEU HBx 1.0 1.8 5.29 1524 1195 A 64 SER HA A 67 LEU HBy 1.0 1.8 5.29 1525 1196 A 65 THR HG2% A 64 SER HBx 1.0 1.8 5.68 1526 1196 A 65 THR HG2% A 64 SER HBy 1.0 1.8 5.68 1527 1197 B 313 ILE HG2% A 64 SER HBx 1.0 1.8 5.81 1528 1197 B 313 ILE HG2% A 64 SER HBy 1.0 1.8 5.81 1529 1198 B 313 ILE HD1% A 64 SER HBx 1.0 1.8 5.18 1530 1198 B 313 ILE HD1% A 64 SER HBy 1.0 1.8 5.18 1531 1199 A 65 THR HB A 69 VAL HGy% 1.0 1.8 5.13 1532 1199 A 65 THR HB A 69 VAL HGx% 1.0 1.8 5.13 1533 1200 A 65 THR HG2% A 69 VAL HGy% 1.0 1.8 5.02 1534 1200 A 65 THR HG2% A 69 VAL HGx% 1.0 1.8 5.02 1535 1201 A 86 HIS HE1 A 66 ILE HG1x 1.0 1.8 4.73 1536 1201 A 86 HIS HE1 A 66 ILE HG1y 1.0 1.8 4.73 1537 1202 A 68 ALA HB% A 67 LEU HBx 1.0 1.8 4.72 1538 1202 A 68 ALA HB% A 67 LEU HBy 1.0 1.8 4.72 1539 1203 B 311 PHE HE% A 67 LEU HBx 1.0 1.8 5.79 1540 1203 B 311 PHE HE% A 67 LEU HBy 1.0 1.8 5.79 1541 1204 A 67 LEU HDy% B 311 PHE HBy 1.0 1.8 5.43 1542 1204 A 67 LEU HDy% B 311 PHE HBx 1.0 1.8 5.43 1543 1205 A 68 ALA HA A 72 LEU HDy% 1.0 1.8 4.40 1544 1205 A 68 ALA HA A 72 LEU HDx% 1.0 1.8 4.40 1545 1206 A 68 ALA HB% A 69 VAL HGy% 1.0 1.8 4.52 1546 1206 A 68 ALA HB% A 69 VAL HGx% 1.0 1.8 4.52 1547 1207 A 68 ALA HB% A 71 ASN HBy 1.0 1.8 6.39 1548 1207 A 68 ALA HB% A 71 ASN HBx 1.0 1.8 6.39 1549 1208 A 68 ALA HB% A 72 LEU HDy% 1.0 1.8 3.95 1550 1208 A 68 ALA HB% A 72 LEU HDx% 1.0 1.8 3.95 1551 1209 A 68 ALA HB% A 82 LEU HDy% 1.0 1.8 5.50 1552 1209 A 68 ALA HB% A 82 LEU HDx% 1.0 1.8 5.50 1553 1210 A 69 VAL HGx% A 69 VAL H 1.0 1.8 3.54 1554 1210 A 69 VAL H A 69 VAL HGy% 1.0 1.8 3.54 1555 1211 A 72 LEU HDx% A 69 VAL H 1.0 1.8 6.20 1556 1211 A 69 VAL H A 72 LEU HDy% 1.0 1.8 6.20 1557 1212 A 69 VAL HGx% A 70 ASP H 1.0 1.8 4.32 1558 1212 A 70 ASP H A 69 VAL HGy% 1.0 1.8 4.32 1559 1213 A 70 ASP HA A 69 VAL HGy% 1.0 1.8 4.29 1560 1213 A 69 VAL HGx% A 70 ASP HA 1.0 1.8 4.29 1561 1214 A 73 ASN HBx A 69 VAL HGy% 1.0 1.8 5.35 1562 1214 A 73 ASN HBx A 69 VAL HGx% 1.0 1.8 5.35 1563 1215 A 69 VAL HGx% A 73 ASN HD2x 1.0 1.8 5.06 1564 1215 A 73 ASN HD2y A 69 VAL HGy% 1.0 1.8 5.06 1565 1215 A 69 VAL HGx% A 73 ASN HD2y 1.0 1.8 5.06 1566 1215 A 69 VAL HGy% A 73 ASN HD2x 1.0 1.8 5.06 1567 1216 A 84 ILE HA A 69 VAL HGy% 1.0 1.8 5.15 1568 1216 A 84 ILE HA A 69 VAL HGx% 1.0 1.8 5.15 1569 1217 A 84 ILE HB A 69 VAL HGy% 1.0 1.8 3.76 1570 1217 A 84 ILE HB A 69 VAL HGx% 1.0 1.8 3.76 1571 1218 A 84 ILE HG2% A 69 VAL HGy% 1.0 1.8 3.58 1572 1218 A 84 ILE HG2% A 69 VAL HGx% 1.0 1.8 3.58 1573 1219 A 84 ILE HD1% A 69 VAL HGy% 1.0 1.8 4.48 1574 1219 A 84 ILE HD1% A 69 VAL HGx% 1.0 1.8 4.48 1575 1220 A 69 VAL HGx% A 85 ASP H 1.0 1.8 4.88 1576 1220 A 85 ASP H A 69 VAL HGy% 1.0 1.8 4.88 1577 1221 A 85 ASP HA A 69 VAL HGy% 1.0 1.8 4.17 1578 1221 A 85 ASP HA A 69 VAL HGx% 1.0 1.8 4.17 1579 1222 A 69 VAL HGy% A 85 ASP HBy 1.0 1.8 5.94 1580 1222 A 69 VAL HGx% A 85 ASP HBy 1.0 1.8 5.94 1581 1222 A 85 ASP HBx A 69 VAL HGy% 1.0 1.8 5.94 1582 1222 A 69 VAL HGx% A 85 ASP HBx 1.0 1.8 5.94 1583 1223 A 86 HIS H A 69 VAL HGy% 1.0 1.8 4.91 1584 1223 A 86 HIS H A 69 VAL HGx% 1.0 1.8 4.91 1585 1224 A 86 HIS HD2 A 69 VAL HGy% 1.0 1.8 4.10 1586 1224 A 86 HIS HD2 A 69 VAL HGx% 1.0 1.8 4.10 1587 1225 A 86 HIS HE1 A 69 VAL HGy% 1.0 1.8 4.60 1588 1225 A 86 HIS HE1 A 69 VAL HGx% 1.0 1.8 4.60 1589 1226 A 72 LEU H A 72 LEU HDy% 1.0 1.8 4.18 1590 1226 A 72 LEU H A 72 LEU HDx% 1.0 1.8 4.18 1591 1227 A 72 LEU HA A 82 LEU HDy% 1.0 1.8 3.95 1592 1227 A 72 LEU HA A 82 LEU HDx% 1.0 1.8 3.95 1593 1228 A 84 ILE HG2% A 72 LEU HBy 1.0 1.8 5.13 1594 1228 A 84 ILE HG2% A 72 LEU HBx 1.0 1.8 5.13 1595 1229 A 84 ILE HD1% A 72 LEU HBy 1.0 1.8 3.84 1596 1229 A 84 ILE HD1% A 72 LEU HBx 1.0 1.8 3.84 1597 1230 A 72 LEU HDx% A 75 PHE HBx 1.0 1.8 3.92 1598 1230 A 75 PHE HBy A 72 LEU HDy% 1.0 1.8 3.92 1599 1230 A 72 LEU HDx% A 75 PHE HBy 1.0 1.8 3.92 1600 1230 A 72 LEU HDy% A 75 PHE HBx 1.0 1.8 3.92 1601 1231 A 75 PHE HD% A 72 LEU HDy% 1.0 1.8 4.19 1602 1231 A 75 PHE HD% A 72 LEU HDx% 1.0 1.8 4.19 1603 1232 A 75 PHE HE% A 72 LEU HDy% 1.0 1.8 6.07 1604 1232 A 75 PHE HE% A 72 LEU HDx% 1.0 1.8 6.07 1605 1233 A 77 ILE HD1% A 72 LEU HDy% 1.0 1.8 4.14 1606 1233 A 77 ILE HD1% A 72 LEU HDx% 1.0 1.8 4.14 1607 1234 A 72 LEU HDy% A 82 LEU HDy% 1.0 1.8 3.78 1608 1234 A 72 LEU HDx% A 82 LEU HDy% 1.0 1.8 3.78 1609 1234 A 82 LEU HDx% A 72 LEU HDy% 1.0 1.8 3.78 1610 1234 A 72 LEU HDx% A 82 LEU HDx% 1.0 1.8 3.78 1611 1235 A 84 ILE HD1% A 72 LEU HDy% 1.0 1.8 3.82 1612 1235 A 84 ILE HD1% A 72 LEU HDx% 1.0 1.8 3.82 1613 1236 B 324 ARG HA A 72 LEU HDy% 1.0 1.8 4.66 1614 1236 B 324 ARG HA A 72 LEU HDx% 1.0 1.8 4.66 1615 1237 B 325 SER H A 72 LEU HDy% 1.0 1.8 5.30 1616 1237 B 325 SER H A 72 LEU HDx% 1.0 1.8 5.30 1617 1238 B 325 SER HA A 72 LEU HDy% 1.0 1.8 5.25 1618 1238 A 72 LEU HDx% B 325 SER HA 1.0 1.8 5.25 1619 1239 B 326 ASN H A 72 LEU HDy% 1.0 1.8 5.06 1620 1239 A 72 LEU HDx% B 326 ASN H 1.0 1.8 5.06 1621 1240 A 72 LEU HDx% B 326 ASN HBy 1.0 1.8 4.59 1622 1240 B 326 ASN HBx A 72 LEU HDy% 1.0 1.8 4.59 1623 1240 A 72 LEU HDx% B 326 ASN HBx 1.0 1.8 4.59 1624 1240 A 72 LEU HDy% B 326 ASN HBy 1.0 1.8 4.59 1625 1241 A 73 ASN H A 82 LEU HDy% 1.0 1.8 5.90 1626 1241 A 73 ASN H A 82 LEU HDx% 1.0 1.8 5.90 1627 1242 A 73 ASN HA A 84 ILE HG1y 1.0 1.8 5.07 1628 1242 A 73 ASN HA A 84 ILE HG1x 1.0 1.8 5.07 1629 1243 A 81 ALA HB% A 74 GLY HAx 1.0 1.8 3.86 1630 1243 A 81 ALA HB% A 74 GLY HAy 1.0 1.8 3.86 1631 1244 A 75 PHE H A 82 LEU HDy% 1.0 1.8 4.30 1632 1244 A 75 PHE H A 82 LEU HDx% 1.0 1.8 4.30 1633 1245 A 75 PHE HA A 82 LEU HDy% 1.0 1.8 5.06 1634 1245 A 75 PHE HA A 82 LEU HDx% 1.0 1.8 5.06 1635 1246 A 77 ILE HD1% A 75 PHE HBx 1.0 1.8 4.21 1636 1246 A 77 ILE HD1% A 75 PHE HBy 1.0 1.8 4.21 1637 1247 A 75 PHE HBy A 82 LEU HDy% 1.0 1.8 4.47 1638 1247 A 82 LEU HDx% A 75 PHE HBx 1.0 1.8 4.47 1639 1247 A 82 LEU HDx% A 75 PHE HBy 1.0 1.8 4.47 1640 1247 A 75 PHE HBx A 82 LEU HDy% 1.0 1.8 4.47 1641 1248 A 75 PHE HD% A 77 ILE HG1y 1.0 1.8 4.37 1642 1248 A 75 PHE HD% A 77 ILE HG1x 1.0 1.8 4.37 1643 1249 A 75 PHE HD% A 82 LEU HDy% 1.0 1.8 4.23 1644 1249 A 75 PHE HD% A 82 LEU HDx% 1.0 1.8 4.23 1645 1250 A 75 PHE HZ A 77 ILE HG1y 1.0 1.8 5.61 1646 1250 A 75 PHE HZ A 77 ILE HG1x 1.0 1.8 5.61 1647 1251 A 76 LYS H A 76 LYS HDx 1.0 1.8 5.01 1648 1251 A 76 LYS H A 76 LYS HDy 1.0 1.8 5.01 1649 1252 A 76 LYS H A 76 LYS HEy 1.0 1.8 5.06 1650 1252 A 76 LYS H A 76 LYS HEx 1.0 1.8 5.06 1651 1253 A 76 LYS HBx A 76 LYS HEy 1.0 1.8 4.55 1652 1253 A 76 LYS HEx A 76 LYS HBx 1.0 1.8 4.55 1653 1253 A 76 LYS HEx A 76 LYS HBy 1.0 1.8 4.55 1654 1253 A 76 LYS HBy A 76 LYS HEy 1.0 1.8 4.55 1655 1254 A 81 ALA HA A 76 LYS HBx 1.0 1.8 5.36 1656 1254 A 81 ALA HA A 76 LYS HBy 1.0 1.8 5.36 1657 1255 A 76 LYS HEx A 76 LYS HGx 1.0 1.8 3.44 1658 1255 A 76 LYS HEy A 76 LYS HGx 1.0 1.8 3.44 1659 1255 A 76 LYS HGy A 76 LYS HEy 1.0 1.8 3.44 1660 1255 A 76 LYS HEx A 76 LYS HGy 1.0 1.8 3.44 1661 1256 A 77 ILE H A 76 LYS HGx 1.0 1.8 5.09 1662 1256 A 77 ILE H A 76 LYS HGy 1.0 1.8 5.09 1663 1257 A 81 ALA H A 76 LYS HGx 1.0 1.8 5.04 1664 1257 A 81 ALA H A 76 LYS HGy 1.0 1.8 5.04 1665 1258 A 81 ALA HA A 76 LYS HGx 1.0 1.8 4.58 1666 1258 A 81 ALA HA A 76 LYS HGy 1.0 1.8 4.58 1667 1259 A 81 ALA HB% A 76 LYS HGx 1.0 1.8 3.85 1668 1259 A 81 ALA HB% A 76 LYS HGy 1.0 1.8 3.85 1669 1260 A 81 ALA HA A 76 LYS HDx 1.0 1.8 6.11 1670 1260 A 81 ALA HA A 76 LYS HDy 1.0 1.8 6.11 1671 1261 A 81 ALA HA A 76 LYS HEy 1.0 1.8 4.73 1672 1261 A 81 ALA HA A 76 LYS HEx 1.0 1.8 4.73 1673 1262 A 81 ALA HB% A 76 LYS HEy 1.0 1.8 3.67 1674 1262 A 81 ALA HB% A 76 LYS HEx 1.0 1.8 3.67 1675 1263 A 77 ILE H A 82 LEU HDy% 1.0 1.8 4.41 1676 1263 A 77 ILE H A 82 LEU HDx% 1.0 1.8 4.41 1677 1264 A 77 ILE HB A 82 LEU HDy% 1.0 1.8 3.77 1678 1264 A 77 ILE HB A 82 LEU HDx% 1.0 1.8 3.77 1679 1265 A 77 ILE HG1x A 82 LEU HDy% 1.0 1.8 4.44 1680 1265 A 77 ILE HG1y A 82 LEU HDy% 1.0 1.8 4.44 1681 1265 A 82 LEU HDx% A 77 ILE HG1y 1.0 1.8 4.44 1682 1265 A 82 LEU HDx% A 77 ILE HG1x 1.0 1.8 4.44 1683 1266 A 79 GLY HAy A 80 ARG HGx 1.0 1.8 4.80 1684 1266 A 80 ARG HGy A 79 GLY HAx 1.0 1.8 4.80 1685 1266 A 79 GLY HAy A 80 ARG HGy 1.0 1.8 4.80 1686 1266 A 79 GLY HAx A 80 ARG HGx 1.0 1.8 4.80 1687 1267 A 80 ARG H A 80 ARG HGx 1.0 1.8 4.59 1688 1267 A 80 ARG H A 80 ARG HGy 1.0 1.8 4.59 1689 1268 A 80 ARG H A 80 ARG HDx 1.0 1.8 4.57 1690 1268 A 80 ARG H A 80 ARG HDy 1.0 1.8 4.57 1691 1269 A 80 ARG HBy A 80 ARG HDx 1.0 1.8 3.38 1692 1269 A 80 ARG HBx A 80 ARG HDx 1.0 1.8 3.38 1693 1269 A 80 ARG HDy A 80 ARG HBx 1.0 1.8 3.38 1694 1269 A 80 ARG HDy A 80 ARG HBy 1.0 1.8 3.38 1695 1270 A 81 ALA H A 80 ARG HBx 1.0 1.8 4.80 1696 1270 A 81 ALA H A 80 ARG HBy 1.0 1.8 4.80 1697 1271 A 81 ALA H A 80 ARG HDx 1.0 1.8 4.62 1698 1271 A 81 ALA H A 80 ARG HDy 1.0 1.8 4.62 1699 1272 A 81 ALA HA A 82 LEU HBx 1.0 1.8 4.81 1700 1272 A 81 ALA HA A 82 LEU HBy 1.0 1.8 4.81 1701 1273 A 81 ALA HA A 82 LEU HDy% 1.0 1.8 4.59 1702 1273 A 81 ALA HA A 82 LEU HDx% 1.0 1.8 4.59 1703 1274 A 82 LEU H A 82 LEU HDy% 1.0 1.8 4.05 1704 1274 A 82 LEU H A 82 LEU HDx% 1.0 1.8 4.05 1705 1275 A 82 LEU HA A 82 LEU HDy% 1.0 1.8 3.97 1706 1275 A 82 LEU HA A 82 LEU HDx% 1.0 1.8 3.97 1707 1276 A 84 ILE HD1% A 82 LEU HBx 1.0 1.8 4.11 1708 1276 A 84 ILE HD1% A 82 LEU HBy 1.0 1.8 4.11 1709 1277 A 83 LYS H A 82 LEU HDy% 1.0 1.8 3.93 1710 1277 A 83 LYS H A 82 LEU HDx% 1.0 1.8 3.93 1711 1278 A 83 LYS HBy A 82 LEU HDy% 1.0 1.8 6.26 1712 1278 A 83 LYS HBy A 82 LEU HDx% 1.0 1.8 6.26 1713 1279 A 84 ILE H A 82 LEU HDy% 1.0 1.8 5.14 1714 1279 A 84 ILE H A 82 LEU HDx% 1.0 1.8 5.14 1715 1280 A 83 LYS H A 83 LYS HGy 1.0 1.8 5.36 1716 1280 A 83 LYS H A 83 LYS HGx 1.0 1.8 5.36 1717 1281 A 83 LYS HA A 83 LYS HDy 1.0 1.8 4.87 1718 1281 A 83 LYS HA A 83 LYS HDx 1.0 1.8 4.87 1719 1282 A 84 ILE H A 83 LYS HGy 1.0 1.8 4.54 1720 1282 A 84 ILE H A 83 LYS HGx 1.0 1.8 4.54 1721 1283 A 84 ILE HA A 83 LYS HGy 1.0 1.8 5.32 1722 1283 A 84 ILE HA A 83 LYS HGx 1.0 1.8 5.32 1723 1284 A 84 ILE H A 83 LYS HDy 1.0 1.8 5.51 1724 1284 A 84 ILE H A 83 LYS HDx 1.0 1.8 5.51 1725 1285 A 84 ILE HG2% A 85 ASP HBy 1.0 1.8 5.02 1726 1285 A 84 ILE HG2% A 85 ASP HBx 1.0 1.8 5.02 1727 1286 A 86 HIS H A 85 ASP HBy 1.0 1.8 4.42 1728 1286 A 86 HIS H A 85 ASP HBx 1.0 1.8 4.42 1729 1287 A 89 TYR HD% A 90 ARG HBx 1.0 1.8 6.39 1730 1287 A 89 TYR HD% A 90 ARG HBy 1.0 1.8 6.39 1731 1288 A 89 TYR HD% A 91 PRO HBy 1.0 1.8 6.25 1732 1288 A 89 TYR HD% A 91 PRO HBx 1.0 1.8 6.25 1733 1289 A 89 TYR HE% A 91 PRO HBy 1.0 1.8 5.07 1734 1289 A 89 TYR HE% A 91 PRO HBx 1.0 1.8 5.07 1735 1290 A 90 ARG H A 90 ARG HGy 1.0 1.8 4.83 1736 1290 A 90 ARG H A 90 ARG HGx 1.0 1.8 4.83 1737 1291 A 90 ARG H A 90 ARG HDx 1.0 1.8 5.25 1738 1291 A 90 ARG H A 90 ARG HDy 1.0 1.8 5.25 1739 1292 A 90 ARG HA A 91 PRO HGx 1.0 1.8 4.94 1740 1292 A 90 ARG HA A 91 PRO HGy 1.0 1.8 4.94 1741 1293 A 91 PRO HDx A 90 ARG HBx 1.0 1.8 4.73 1742 1293 A 91 PRO HDx A 90 ARG HBy 1.0 1.8 4.73 1743 1294 A 91 PRO HDy A 90 ARG HBx 1.0 1.8 4.37 1744 1294 A 91 PRO HDy A 90 ARG HBy 1.0 1.8 4.37 1745 1295 A 91 PRO HDx A 90 ARG HGy 1.0 1.8 5.42 1746 1295 A 91 PRO HDx A 90 ARG HGx 1.0 1.8 5.42 1747 1296 A 95 LEU HA A 95 LEU HDy% 1.0 1.8 3.43 1748 1296 A 95 LEU HA A 95 LEU HDx% 1.0 1.8 3.43 1749 1297 A 95 LEU HA A 98 TYR HBx 1.0 1.8 4.63 1750 1297 A 95 LEU HA A 98 TYR HBy 1.0 1.8 4.63 1751 1298 A 98 TYR HD% A 95 LEU HDy% 1.0 1.8 4.22 1752 1298 A 98 TYR HD% A 95 LEU HDx% 1.0 1.8 4.22 1753 1299 A 98 TYR HE% A 95 LEU HDy% 1.0 1.8 4.39 1754 1299 A 98 TYR HE% A 95 LEU HDx% 1.0 1.8 4.39 1755 1300 A 98 TYR HD% A 102 VAL HGy% 1.0 1.8 4.73 1756 1300 A 98 TYR HD% A 102 VAL HGx% 1.0 1.8 4.73 1757 1301 A 98 TYR HE% A 102 VAL HGy% 1.0 1.8 3.48 1758 1301 A 98 TYR HE% A 102 VAL HGx% 1.0 1.8 3.48 1759 1302 A 99 TYR HA A 102 VAL HGy% 1.0 1.8 3.75 1760 1302 A 99 TYR HA A 102 VAL HGx% 1.0 1.8 3.75 1761 1303 A 100 GLU HA A 99 TYR HBy 1.0 1.8 4.72 1762 1303 A 100 GLU HA A 99 TYR HBx 1.0 1.8 4.72 1763 1304 A 99 TYR HD% A 102 VAL HGy% 1.0 1.8 3.92 1764 1304 A 99 TYR HD% A 102 VAL HGx% 1.0 1.8 3.92 1765 1305 A 99 TYR HE% A 102 VAL HGy% 1.0 1.8 4.63 1766 1305 A 102 VAL HGx% A 99 TYR HE% 1.0 1.8 4.63 1767 1306 A 101 ALA HA A 105 GLU HBx 1.0 1.8 4.23 1768 1306 A 101 ALA HA A 105 GLU HBy 1.0 1.8 4.23 1769 1307 A 101 ALA HB% A 102 VAL HGy% 1.0 1.8 4.53 1770 1307 A 101 ALA HB% A 102 VAL HGx% 1.0 1.8 4.53 1771 1308 A 102 VAL H A 102 VAL HGy% 1.0 1.8 3.88 1772 1308 A 102 VAL H A 102 VAL HGx% 1.0 1.8 3.88 1773 1309 A 102 VAL HA A 102 VAL HGy% 1.0 1.8 3.00 1774 1309 A 102 VAL HA A 102 VAL HGx% 1.0 1.8 3.00 1775 1310 A 103 LYS HA A 102 VAL HGy% 1.0 1.8 3.86 1776 1310 A 103 LYS HA A 102 VAL HGx% 1.0 1.8 3.86 1777 1311 A 102 VAL HGy% A 103 LYS HBy 1.0 1.8 4.30 1778 1311 A 102 VAL HGx% A 103 LYS HBy 1.0 1.8 4.30 1779 1311 A 103 LYS HBx A 102 VAL HGy% 1.0 1.8 4.30 1780 1311 A 102 VAL HGx% A 103 LYS HBx 1.0 1.8 4.30 1781 1312 A 103 LYS HA A 103 LYS HGy 1.0 1.8 3.74 1782 1312 A 103 LYS HA A 103 LYS HGx 1.0 1.8 3.74 1783 1313 A 104 GLU H A 104 GLU HGy 1.0 1.8 5.28 1784 1313 A 104 GLU H A 104 GLU HGx 1.0 1.8 5.28 1785 1314 A 106 LEU HA A 106 LEU HDx% 1.0 1.8 3.37 1786 1314 A 106 LEU HA A 106 LEU HDy% 1.0 1.8 3.37 1787 1315 A 110 ILE HG2% A 107 ASP HBy 1.0 1.8 4.93 1788 1315 A 110 ILE HG2% A 107 ASP HBx 1.0 1.8 4.93 1789 1316 A 108 ARG HA A 108 ARG HDy 1.0 1.8 5.09 1790 1316 A 108 ARG HA A 108 ARG HDx 1.0 1.8 5.09 1791 1317 A 108 ARG HBy A 108 ARG HDy 1.0 1.8 3.52 1792 1317 A 108 ARG HBx A 108 ARG HDy 1.0 1.8 3.52 1793 1317 A 108 ARG HDx A 108 ARG HBy 1.0 1.8 3.52 1794 1317 A 108 ARG HDx A 108 ARG HBx 1.0 1.8 3.52 1795 1318 A 110 ILE H A 110 ILE HG1y 1.0 1.8 4.94 1796 1318 A 110 ILE H A 110 ILE HG1x 1.0 1.8 4.94 1797 1319 A 110 ILE HA A 110 ILE HG1y 1.0 1.8 3.92 1798 1319 A 110 ILE HA A 110 ILE HG1x 1.0 1.8 3.92 1799 1320 B 304 LYS H B 304 LYS HBy 1.0 1.8 4.00 1800 1320 B 304 LYS H B 304 LYS HBx 1.0 1.8 4.00 1801 1321 B 304 LYS HA B 305 PRO HGx 1.0 1.8 4.99 1802 1321 B 304 LYS HA B 305 PRO HGy 1.0 1.8 4.99 1803 1322 B 304 LYS HBy B 304 LYS HEy 1.0 1.8 4.54 1804 1322 B 304 LYS HBx B 304 LYS HEy 1.0 1.8 4.54 1805 1322 B 304 LYS HEx B 304 LYS HBy 1.0 1.8 4.54 1806 1322 B 304 LYS HBx B 304 LYS HEx 1.0 1.8 4.54 1807 1323 B 305 PRO HDy B 304 LYS HBy 1.0 1.8 3.73 1808 1323 B 305 PRO HDy B 304 LYS HBx 1.0 1.8 3.73 1809 1324 B 305 PRO HDx B 304 LYS HBy 1.0 1.8 4.13 1810 1324 B 305 PRO HDx B 304 LYS HBx 1.0 1.8 4.13 1811 1325 B 305 PRO HDy B 304 LYS HGy 1.0 1.8 4.93 1812 1325 B 305 PRO HDy B 304 LYS HGx 1.0 1.8 4.93 1813 1326 B 305 PRO HDx B 304 LYS HGy 1.0 1.8 5.70 1814 1326 B 305 PRO HDx B 304 LYS HGx 1.0 1.8 5.70 1815 1327 B 306 ALA HA B 307 PRO HGy 1.0 1.8 4.91 1816 1327 B 306 ALA HA B 307 PRO HGx 1.0 1.8 4.91 1817 1328 B 306 ALA HA B 307 PRO HDx 1.0 1.8 3.53 1818 1328 B 306 ALA HA B 307 PRO HDy 1.0 1.8 3.53 1819 1329 B 308 GLU H B 307 PRO HBx 1.0 1.8 4.14 1820 1329 B 308 GLU H B 307 PRO HBy 1.0 1.8 4.14 1821 1330 B 308 GLU H B 308 GLU HBy 1.0 1.8 3.84 1822 1330 B 308 GLU H B 308 GLU HBx 1.0 1.8 3.84 1823 1331 B 308 GLU H B 308 GLU HGy 1.0 1.8 4.96 1824 1331 B 308 GLU H B 308 GLU HGx 1.0 1.8 4.96 1825 1332 B 309 ASN H B 308 GLU HBy 1.0 1.8 3.96 1826 1332 B 309 ASN H B 308 GLU HBx 1.0 1.8 3.96 1827 1333 B 332 TRP HE3 B 308 GLU HBy 1.0 1.8 6.39 1828 1333 B 332 TRP HE3 B 308 GLU HBx 1.0 1.8 6.39 1829 1334 B 333 PHE HD% B 308 GLU HBy 1.0 1.8 4.82 1830 1334 B 333 PHE HD% B 308 GLU HBx 1.0 1.8 4.82 1831 1335 B 333 PHE HE% B 308 GLU HBy 1.0 1.8 4.09 1832 1335 B 333 PHE HE% B 308 GLU HBx 1.0 1.8 4.09 1833 1336 B 333 PHE HZ B 308 GLU HBy 1.0 1.8 4.39 1834 1336 B 333 PHE HZ B 308 GLU HBx 1.0 1.8 4.39 1835 1337 B 309 ASN H B 308 GLU HGy 1.0 1.8 4.36 1836 1337 B 309 ASN H B 308 GLU HGx 1.0 1.8 4.36 1837 1338 B 333 PHE HD% B 308 GLU HGy 1.0 1.8 5.67 1838 1338 B 333 PHE HD% B 308 GLU HGx 1.0 1.8 5.67 1839 1339 B 333 PHE HE% B 308 GLU HGy 1.0 1.8 4.37 1840 1339 B 333 PHE HE% B 308 GLU HGx 1.0 1.8 4.37 1841 1340 B 333 PHE HZ B 308 GLU HGy 1.0 1.8 5.25 1842 1340 B 333 PHE HZ B 308 GLU HGx 1.0 1.8 5.25 1843 1341 B 333 PHE HZ B 309 ASN HBx 1.0 1.8 5.44 1844 1341 B 333 PHE HZ B 309 ASN HBy 1.0 1.8 5.44 1845 1342 B 311 PHE HA B 313 ILE HG1y 1.0 1.8 4.85 1846 1342 B 311 PHE HA B 313 ILE HG1x 1.0 1.8 4.85 1847 1343 B 313 ILE HG2% B 311 PHE HBy 1.0 1.8 5.08 1848 1343 B 313 ILE HG2% B 311 PHE HBx 1.0 1.8 5.08 1849 1344 B 313 ILE HD1% B 311 PHE HBy 1.0 1.8 4.10 1850 1344 B 313 ILE HD1% B 311 PHE HBx 1.0 1.8 4.10 1851 1345 B 311 PHE HD% B 313 ILE HG1y 1.0 1.8 5.65 1852 1345 B 311 PHE HD% B 313 ILE HG1x 1.0 1.8 5.65 1853 1346 B 313 ILE HA B 314 MET HGx 1.0 1.8 5.13 1854 1346 B 313 ILE HA B 314 MET HGy 1.0 1.8 5.13 1855 1347 B 313 ILE HG2% B 314 MET HGx 1.0 1.8 5.27 1856 1347 B 313 ILE HG2% B 314 MET HGy 1.0 1.8 5.27 1857 1348 B 314 MET H B 314 MET HBy 1.0 1.8 3.66 1858 1348 B 314 MET H B 314 MET HBx 1.0 1.8 3.66 1859 1349 B 314 MET H B 314 MET HGx 1.0 1.8 3.88 1860 1349 B 314 MET H B 314 MET HGy 1.0 1.8 3.88 1861 1350 B 315 PRO HDy B 314 MET HBy 1.0 1.8 4.11 1862 1350 B 315 PRO HDy B 314 MET HBx 1.0 1.8 4.11 1863 1351 B 314 MET HE% B 314 MET HGx 1.0 1.8 3.83 1864 1351 B 314 MET HE% B 314 MET HGy 1.0 1.8 3.83 1865 1352 B 315 PRO HDy B 314 MET HGx 1.0 1.8 4.76 1866 1352 B 315 PRO HDy B 314 MET HGy 1.0 1.8 4.76 1867 1353 B 315 PRO HDx B 314 MET HGx 1.0 1.8 5.62 1868 1353 B 315 PRO HDx B 314 MET HGy 1.0 1.8 5.62 1869 1354 B 316 GLY H B 315 PRO HBy 1.0 1.8 4.53 1870 1354 B 315 PRO HBx B 316 GLY H 1.0 1.8 4.53 1871 1355 B 319 TRP HE3 B 315 PRO HGy 1.0 1.8 4.22 1872 1355 B 319 TRP HE3 B 315 PRO HGx 1.0 1.8 4.22 1873 1356 B 319 TRP HZ3 B 315 PRO HGy 1.0 1.8 5.03 1874 1356 B 319 TRP HZ3 B 315 PRO HGx 1.0 1.8 5.03 1875 1357 B 318 ARG H B 317 SER HBy 1.0 1.8 4.92 1876 1357 B 318 ARG H B 317 SER HBx 1.0 1.8 4.92 1877 1358 B 318 ARG H B 318 ARG HGy 1.0 1.8 4.86 1878 1358 B 318 ARG H B 318 ARG HGx 1.0 1.8 4.86 1879 1359 B 318 ARG H B 318 ARG HDx 1.0 1.8 5.15 1880 1359 B 318 ARG H B 318 ARG HDy 1.0 1.8 5.15 1881 1360 B 318 ARG HA B 318 ARG HDx 1.0 1.8 3.76 1882 1360 B 318 ARG HA B 318 ARG HDy 1.0 1.8 3.76 1883 1361 B 318 ARG HBx B 318 ARG HDx 1.0 1.8 3.52 1884 1361 B 318 ARG HDy B 318 ARG HBx 1.0 1.8 3.52 1885 1361 B 318 ARG HDy B 318 ARG HBy 1.0 1.8 3.52 1886 1361 B 318 ARG HBy B 318 ARG HDx 1.0 1.8 3.52 1887 1362 B 319 TRP HZ3 B 319 TRP HBy 1.0 1.8 5.61 1888 1362 B 319 TRP HZ3 B 319 TRP HBx 1.0 1.8 5.61 1889 1363 B 319 TRP HD1 B 322 VAL HGy% 1.0 1.8 5.06 1890 1363 B 319 TRP HD1 B 322 VAL HGx% 1.0 1.8 5.06 1891 1364 B 319 TRP HE1 B 322 VAL HGy% 1.0 1.8 5.53 1892 1364 B 319 TRP HE1 B 322 VAL HGx% 1.0 1.8 5.53 1893 1365 B 319 TRP HZ2 B 322 VAL HGy% 1.0 1.8 5.86 1894 1365 B 319 TRP HZ2 B 322 VAL HGx% 1.0 1.8 5.86 1895 1366 B 320 ASP HBy B 322 VAL HGy% 1.0 1.8 4.91 1896 1366 B 320 ASP HBx B 322 VAL HGy% 1.0 1.8 4.91 1897 1366 B 322 VAL HGx% B 320 ASP HBx 1.0 1.8 4.91 1898 1366 B 322 VAL HGx% B 320 ASP HBy 1.0 1.8 4.91 1899 1367 B 321 GLY H B 322 VAL HGy% 1.0 1.8 4.62 1900 1367 B 321 GLY H B 322 VAL HGx% 1.0 1.8 4.62 1901 1368 B 322 VAL H B 322 VAL HGy% 1.0 1.8 3.70 1902 1368 B 322 VAL H B 322 VAL HGx% 1.0 1.8 3.70 1903 1369 B 323 HIS H B 322 VAL HGy% 1.0 1.8 3.88 1904 1369 B 323 HIS H B 322 VAL HGx% 1.0 1.8 3.88 1905 1370 B 322 VAL HGx% B 323 HIS HBx 1.0 1.8 5.37 1906 1370 B 322 VAL HGy% B 323 HIS HBx 1.0 1.8 5.37 1907 1370 B 323 HIS HBy B 322 VAL HGy% 1.0 1.8 5.37 1908 1370 B 322 VAL HGx% B 323 HIS HBy 1.0 1.8 5.37 1909 1371 B 323 HIS HD2 B 322 VAL HGy% 1.0 1.8 5.92 1910 1371 B 323 HIS HD2 B 322 VAL HGx% 1.0 1.8 5.92 1911 1372 B 323 HIS H B 323 HIS HBx 1.0 1.8 3.92 1912 1372 B 323 HIS H B 323 HIS HBy 1.0 1.8 3.92 1913 1373 B 329 GLU H B 328 PHE HBy 1.0 1.8 4.59 1914 1373 B 329 GLU H B 328 PHE HBx 1.0 1.8 4.59 1915 1374 B 329 GLU HA B 332 TRP HBy 1.0 1.8 5.28 1916 1374 B 329 GLU HA B 332 TRP HBx 1.0 1.8 5.28 1917 1375 B 332 TRP H B 329 GLU HBy 1.0 1.8 5.42 1918 1375 B 332 TRP H B 329 GLU HBx 1.0 1.8 5.42 1919 1376 B 330 GLU HA B 330 GLU HGx 1.0 1.8 3.85 1920 1376 B 330 GLU HA B 330 GLU HGy 1.0 1.8 3.85 1921 1377 B 330 GLU HA B 333 PHE HBx 1.0 1.8 4.53 1922 1377 B 330 GLU HA B 333 PHE HBy 1.0 1.8 4.53 1923 1378 B 331 LYS H B 330 GLU HGx 1.0 1.8 4.76 1924 1378 B 331 LYS H B 330 GLU HGy 1.0 1.8 4.76 1925 1379 B 331 LYS HGx B 330 GLU HGx 1.0 1.8 6.39 1926 1379 B 331 LYS HGx B 330 GLU HGy 1.0 1.8 6.39 1927 1380 B 334 ALA HB% B 330 GLU HGx 1.0 1.8 4.64 1928 1380 B 334 ALA HB% B 330 GLU HGy 1.0 1.8 4.64 1929 1381 B 331 LYS H B 331 LYS HBx 1.0 1.8 3.75 1930 1381 B 331 LYS H B 331 LYS HBy 1.0 1.8 3.75 1931 1382 B 332 TRP H B 331 LYS HBx 1.0 1.8 4.36 1932 1382 B 332 TRP H B 331 LYS HBy 1.0 1.8 4.36 1933 1383 B 332 TRP HD1 B 331 LYS HBx 1.0 1.8 6.39 1934 1383 B 332 TRP HD1 B 331 LYS HBy 1.0 1.8 6.39 1935 1384 B 331 LYS HGx B 331 LYS HEx 1.0 1.8 4.07 1936 1384 B 331 LYS HGx B 331 LYS HEy 1.0 1.8 4.07 1937 1385 B 332 TRP HA B 335 LYS HBy 1.0 1.8 4.35 1938 1385 B 332 TRP HA B 335 LYS HBx 1.0 1.8 4.35 1939 1386 B 332 TRP HA B 335 LYS HGy 1.0 1.8 5.73 1940 1386 B 332 TRP HA B 335 LYS HGx 1.0 1.8 5.73 1941 1387 B 333 PHE H B 332 TRP HBy 1.0 1.8 4.39 1942 1387 B 333 PHE H B 332 TRP HBx 1.0 1.8 4.39 1943 1388 B 333 PHE HD% B 332 TRP HBy 1.0 1.8 5.30 1944 1388 B 333 PHE HD% B 332 TRP HBx 1.0 1.8 5.30 1945 1389 B 332 TRP HE3 B 336 GLN HBx 1.0 1.8 5.18 1946 1389 B 332 TRP HE3 B 336 GLN HBy 1.0 1.8 5.18 1947 1390 B 332 TRP HE3 B 336 GLN HGy 1.0 1.8 5.26 1948 1390 B 332 TRP HE3 B 336 GLN HGx 1.0 1.8 5.26 1949 1391 B 332 TRP HZ3 B 336 GLN HGy 1.0 1.8 4.88 1950 1391 B 332 TRP HZ3 B 336 GLN HGx 1.0 1.8 4.88 1951 1392 B 332 TRP HH2 B 336 GLN HGy 1.0 1.8 5.86 1952 1392 B 336 GLN HGx B 332 TRP HH2 1.0 1.8 5.86 1953 1393 B 333 PHE H B 333 PHE HBx 1.0 1.8 4.00 1954 1393 B 333 PHE H B 333 PHE HBy 1.0 1.8 4.00 1955 1394 B 333 PHE HA B 336 GLN HBx 1.0 1.8 4.59 1956 1394 B 333 PHE HA B 336 GLN HBy 1.0 1.8 4.59 1957 1395 B 333 PHE HA B 336 GLN HGy 1.0 1.8 3.63 1958 1395 B 333 PHE HA B 336 GLN HGx 1.0 1.8 3.63 1959 1396 B 334 ALA H B 333 PHE HBx 1.0 1.8 4.54 1960 1396 B 334 ALA H B 333 PHE HBy 1.0 1.8 4.54 1961 1397 B 334 ALA HB% B 333 PHE HBx 1.0 1.8 4.55 1962 1397 B 334 ALA HB% B 333 PHE HBy 1.0 1.8 4.55 1963 1398 B 333 PHE HD% B 336 GLN HGy 1.0 1.8 6.20 1964 1398 B 333 PHE HD% B 336 GLN HGx 1.0 1.8 6.20 1965 1399 B 334 ALA HA B 336 GLN HBx 1.0 1.8 5.86 1966 1399 B 334 ALA HA B 336 GLN HBy 1.0 1.8 5.86 1967 1400 B 334 ALA HA B 337 ASN HBy 1.0 1.8 4.18 1968 1400 B 334 ALA HA B 337 ASN HBx 1.0 1.8 4.18 1969 1401 B 334 ALA HB% B 337 ASN HBy 1.0 1.8 4.74 1970 1401 B 334 ALA HB% B 337 ASN HBx 1.0 1.8 4.74 1971 1402 B 335 LYS H B 335 LYS HBy 1.0 1.8 3.71 1972 1402 B 335 LYS H B 335 LYS HBx 1.0 1.8 3.71 1973 1403 B 335 LYS H B 335 LYS HGy 1.0 1.8 4.84 1974 1403 B 335 LYS H B 335 LYS HGx 1.0 1.8 4.84 1975 1404 B 335 LYS HA B 335 LYS HGy 1.0 1.8 3.97 1976 1404 B 335 LYS HA B 335 LYS HGx 1.0 1.8 3.97 1977 1405 B 335 LYS HA B 335 LYS HDx 1.0 1.8 4.04 1978 1405 B 335 LYS HA B 335 LYS HDy 1.0 1.8 4.04 1979 1406 B 335 LYS HA B 335 LYS HEy 1.0 1.8 5.56 1980 1406 B 335 LYS HA B 335 LYS HEx 1.0 1.8 5.56 1981 1407 B 335 LYS HA B 338 GLU HBx 1.0 1.8 3.54 1982 1407 B 335 LYS HA B 338 GLU HBy 1.0 1.8 3.54 1983 1408 B 335 LYS HBx B 335 LYS HEy 1.0 1.8 3.78 1984 1408 B 335 LYS HBy B 335 LYS HEy 1.0 1.8 3.78 1985 1408 B 335 LYS HEx B 335 LYS HBy 1.0 1.8 3.78 1986 1408 B 335 LYS HBx B 335 LYS HEx 1.0 1.8 3.78 1987 1409 B 335 LYS HDy B 338 GLU HBx 1.0 1.8 4.09 1988 1409 B 335 LYS HDx B 338 GLU HBx 1.0 1.8 4.09 1989 1409 B 338 GLU HBy B 335 LYS HDx 1.0 1.8 4.09 1990 1409 B 335 LYS HDy B 338 GLU HBy 1.0 1.8 4.09 1991 1410 B 336 GLN HA B 336 GLN HE2y 1.0 1.8 5.89 1992 1410 B 336 GLN HA B 336 GLN HE2x 1.0 1.8 5.89 1993 1411 B 336 GLN HA B 339 ILE HG1x 1.0 1.8 4.74 1994 1411 B 336 GLN HA B 339 ILE HG1y 1.0 1.8 4.74 1995 1412 B 336 GLN HBy B 337 ASN HBy 1.0 1.8 4.80 1996 1412 B 336 GLN HBx B 337 ASN HBy 1.0 1.8 4.80 1997 1412 B 337 ASN HBx B 336 GLN HBx 1.0 1.8 4.80 1998 1412 B 336 GLN HBy B 337 ASN HBx 1.0 1.8 4.80 1999 1413 B 338 GLU H B 338 GLU HBx 1.0 1.8 4.02 2000 1413 B 338 GLU HBy B 338 GLU H 1.0 1.8 4.02 2001 1414 B 338 GLU HA B 338 GLU HGy 1.0 1.8 3.41 2002 1414 B 338 GLU HA B 338 GLU HGx 1.0 1.8 3.41 2003 1415 B 339 ILE H B 338 GLU HBx 1.0 1.8 4.28 2004 1415 B 339 ILE H B 338 GLU HBy 1.0 1.8 4.28 2005 1416 B 339 ILE H B 338 GLU HGy 1.0 1.8 4.19 2006 1416 B 339 ILE H B 338 GLU HGx 1.0 1.8 4.19 2007 1417 B 339 ILE HG2% B 339 ILE HG1x 1.0 1.8 3.08 2008 1417 B 339 ILE HG2% B 339 ILE HG1y 1.0 1.8 3.08 2009 1418 B 341 GLU HA B 341 GLU HGx 1.0 1.8 4.02 2010 1418 B 341 GLU HA B 341 GLU HGy 1.0 1.8 4.02 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 13 ILE H A 57 LEU O 1.0 1.8 2.2 2 2 A 57 LEU O A 13 ILE N 1.0 2.7 3.3 3 3 A 13 ILE O A 57 LEU H 1.0 1.8 2.2 4 4 A 13 ILE O A 57 LEU N 1.0 2.7 3.3 5 5 A 14 TYR H A 85 ASP O 1.0 1.8 2.2 6 6 A 85 ASP O A 14 TYR N 1.0 2.7 3.3 7 7 A 14 TYR O A 85 ASP H 1.0 1.8 2.2 8 8 A 14 TYR O A 85 ASP N 1.0 2.7 3.3 9 9 A 15 ILE H A 55 ALA O 1.0 1.8 2.2 10 10 A 55 ALA O A 15 ILE N 1.0 2.7 3.3 11 11 A 15 ILE O A 55 ALA H 1.0 1.8 2.2 12 12 A 15 ILE O A 55 ALA N 1.0 2.7 3.3 13 13 A 39 ASP H A 58 LYS O 1.0 1.8 2.2 14 14 A 58 LYS O A 39 ASP N 1.0 2.7 3.3 15 15 A 39 ASP O A 58 LYS H 1.0 1.8 2.2 16 16 A 39 ASP O A 58 LYS N 1.0 2.7 3.3 17 17 A 41 ILE H A 56 TYR O 1.0 1.8 2.2 18 18 A 56 TYR O A 41 ILE N 1.0 2.7 3.3 19 19 A 41 ILE O A 56 TYR H 1.0 1.8 2.2 20 20 A 41 ILE O A 56 TYR N 1.0 2.7 3.3 21 21 A 43 SER H A 54 PHE O 1.0 1.8 2.2 22 22 A 54 PHE O A 43 SER N 1.0 2.7 3.3 23 23 A 25 GLY O A 29 THR H 1.0 1.8 2.2 24 24 A 25 GLY O A 29 THR N 1.0 2.7 3.3 25 25 A 26 ASP O A 30 VAL H 1.0 1.8 2.2 26 26 A 26 ASP O A 30 VAL N 1.0 2.7 3.3 27 27 A 27 ILE O A 31 PHE H 1.0 1.8 2.2 28 28 A 27 ILE O A 31 PHE N 1.0 2.7 3.3 29 29 A 28 LEU O A 32 SER H 1.0 1.8 2.2 30 30 A 28 LEU O A 32 SER N 1.0 2.7 3.3 31 31 A 63 ARG O A 67 LEU H 1.0 1.8 2.2 32 32 A 63 ARG O A 67 LEU N 1.0 2.7 3.3 33 33 A 64 SER O A 68 ALA H 1.0 1.8 2.2 34 34 A 64 SER O A 68 ALA N 1.0 2.7 3.3 35 35 A 65 THR O A 69 VAL H 1.0 1.8 2.2 36 36 A 65 THR O A 69 VAL N 1.0 2.7 3.3 37 37 A 66 ILE O A 70 ASP H 1.0 1.8 2.2 38 38 A 66 ILE O A 70 ASP N 1.0 2.7 3.3 39 39 A 67 LEU O A 71 ASN H 1.0 1.8 2.2 40 40 A 67 LEU O A 71 ASN N 1.0 2.7 3.3 stop_ save_