data_nef_c19488_2mdj 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 PDB 2MDJ stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 SER middle . . 3 A 3 ASP middle . . 4 A 4 LEU middle . . 5 A 5 PRO middle . false 6 A 6 PRO middle . false 7 A 7 PRO middle . false 8 A 8 SER middle . . 9 A 9 PRO middle . false 10 A 10 PRO middle . false 11 A 11 LYS middle . . 12 A 12 PRO middle . false 13 A 13 LYS middle . . 14 A 14 THR middle . . 15 A 15 ILE middle . . 16 A 16 VAL middle . . 17 A 17 LEU middle . . 18 A 18 PRO middle . false 19 A 19 PRO middle . false 20 A 20 ASN middle . . 21 A 21 TRP middle . . 22 A 22 LYS middle . . 23 A 23 THR middle . . 24 A 24 ALA middle . . 25 A 25 ARG middle . . 26 A 26 ASP middle . . 27 A 27 PRO middle . false 28 A 28 GLU middle . . 29 A 29 GLY middle . false 30 A 30 LYS middle . . 31 A 31 ILE middle . . 32 A 32 TYR middle . . 33 A 33 TYR middle . . 34 A 34 TYR middle . . 35 A 35 HIS middle . . 36 A 36 VAL middle . . 37 A 37 ILE middle . . 38 A 38 THR middle . . 39 A 39 ARG middle . . 40 A 40 GLN middle . . 41 A 41 THR middle . . 42 A 42 GLN middle . . 43 A 43 TRP middle . . 44 A 44 ASP middle . . 45 A 45 PRO middle . false 46 A 46 PRO middle . false 47 A 47 THR middle . . 48 A 48 TRP middle . . 49 A 49 GLU middle . . 50 A 50 SER middle . . 51 A 51 PRO middle . false 52 A 52 GLY middle . false 53 A 53 ASP middle . . 54 A 54 ASP middle . . 55 A 55 ALA middle . . 56 A 56 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 SER H H 1 8.036 0.030 A 2 SER HA H 1 4.412 0.006 A 2 SER HB2 H 1 3.734 0.020 A 2 SER HB3 H 1 3.734 0.020 A 2 SER C C 13 173.921 0.300 A 2 SER CA C 13 58.253 0.050 A 2 SER CB C 13 63.958 0.068 A 2 SER N N 15 117.587 0.300 A 3 ASP H H 1 8.453 0.017 A 3 ASP HA H 1 4.531 0.049 A 3 ASP HBy H 1 2.571 0.017 A 3 ASP HBx H 1 2.510 0.041 A 3 ASP C C 13 175.710 0.300 A 3 ASP CA C 13 54.099 0.025 A 3 ASP CB C 13 41.079 0.043 A 3 ASP N N 15 122.646 0.300 A 4 LEU H H 1 8.178 0.019 A 4 LEU HA H 1 4.473 0.005 A 4 LEU HBy H 1 1.452 0.008 A 4 LEU HBx H 1 1.415 0.011 A 4 LEU HD1% H 1 0.802 0.030 A 4 LEU HD2% H 1 0.802 0.030 A 4 LEU CA C 13 52.953 0.048 A 4 LEU CB C 13 41.653 0.049 A 4 LEU N N 15 123.784 0.014 A 7 PRO HA H 1 4.448 0.007 A 7 PRO HBy H 1 2.089 0.016 A 7 PRO HBx H 1 1.850 0.030 A 7 PRO HG2 H 1 1.655 0.004 A 7 PRO HG3 H 1 1.655 0.004 A 7 PRO C C 13 174.930 0.300 A 7 PRO CA C 13 61.363 0.220 A 7 PRO CB C 13 32.014 0.300 A 8 SER H H 1 8.281 0.021 A 8 SER HA H 1 3.980 0.010 A 8 SER HBx H 1 3.530 0.010 A 8 SER HBy H 1 3.657 0.010 A 8 SER CA C 13 57.703 0.218 A 8 SER CB C 13 62.241 0.016 A 8 SER N N 15 116.891 0.015 A 14 THR C C 13 175.383 0.300 A 15 ILE H H 1 8.344 0.014 A 15 ILE HA H 1 4.075 0.015 A 15 ILE HB H 1 1.709 0.011 A 15 ILE HD1% H 1 0.712 0.030 A 15 ILE HG12 H 1 1.356 0.026 A 15 ILE HG13 H 1 1.356 0.026 A 15 ILE HG2% H 1 1.050 0.030 A 15 ILE C C 13 175.223 0.300 A 15 ILE CA C 13 60.716 0.070 A 15 ILE CB C 13 38.878 0.057 A 15 ILE CD1 C 13 13.276 0.300 A 15 ILE CG1 C 13 27.269 0.023 A 15 ILE CG2 C 13 17.276 0.300 A 15 ILE N N 15 126.726 0.009 A 16 VAL H H 1 8.374 0.006 A 16 VAL HA H 1 4.041 0.013 A 16 VAL HB H 1 1.932 0.006 A 16 VAL HG1% H 1 0.853 0.030 A 16 VAL HG2% H 1 0.853 0.030 A 16 VAL C C 13 175.413 0.300 A 16 VAL CA C 13 61.884 0.054 A 16 VAL CB C 13 32.472 0.020 A 16 VAL CG1 C 13 21.103 0.300 A 16 VAL CG2 C 13 21.103 0.300 A 16 VAL N N 15 128.233 0.016 A 17 LEU H H 1 8.488 0.019 A 17 LEU HA H 1 4.482 0.007 A 17 LEU HBx H 1 1.222 0.010 A 17 LEU HBy H 1 1.596 0.013 A 17 LEU HDx% H 1 0.656 0.030 A 17 LEU HDy% H 1 0.854 0.030 A 17 LEU CA C 13 52.176 0.047 A 17 LEU CB C 13 42.034 0.047 A 17 LEU N N 15 128.084 0.017 A 19 PRO HA H 1 4.110 0.004 A 19 PRO HBx H 1 1.625 0.013 A 19 PRO HBy H 1 2.175 0.010 A 19 PRO HDy H 1 3.314 0.031 A 19 PRO HDx H 1 3.192 0.023 A 19 PRO HG2 H 1 1.912 0.014 A 19 PRO HG3 H 1 1.912 0.014 A 19 PRO C C 13 176.801 0.300 A 19 PRO CA C 13 63.788 0.039 A 19 PRO CB C 13 31.976 0.045 A 20 ASN H H 1 8.516 0.017 A 20 ASN HBy H 1 2.706 0.023 A 20 ASN HD2y H 1 7.423 0.030 A 20 ASN HD2x H 1 6.838 0.030 A 20 ASN C C 13 172.167 0.300 A 20 ASN CA C 13 55.054 0.044 A 20 ASN CB C 13 36.712 0.037 A 20 ASN N N 15 111.397 0.013 A 20 ASN ND2 N 15 114.309 0.300 A 21 TRP H H 1 7.317 0.020 A 21 TRP HA H 1 5.006 0.023 A 21 TRP HBy H 1 2.846 0.022 A 21 TRP HBx H 1 2.760 0.026 A 21 TRP HE1 H 1 10.424 0.003 A 21 TRP C C 13 175.534 0.300 A 21 TRP CA C 13 57.056 0.039 A 21 TRP CB C 13 31.558 0.033 A 21 TRP N N 15 117.522 0.020 A 21 TRP NE1 N 15 129.418 0.014 A 22 LYS H H 1 8.947 0.009 A 22 LYS HA H 1 4.457 0.012 A 22 LYS HB2 H 1 1.472 0.005 A 22 LYS HB3 H 1 1.472 0.005 A 22 LYS HDx H 1 1.479 0.007 A 22 LYS HDy H 1 1.493 0.030 A 22 LYS HGx H 1 0.964 0.023 A 22 LYS HGy H 1 1.047 0.012 A 22 LYS C C 13 174.479 0.300 A 22 LYS CA C 13 54.265 0.038 A 22 LYS CD C 13 28.857 0.300 A 22 LYS CE C 13 42.200 0.300 A 22 LYS CG C 13 25.575 0.040 A 22 LYS N N 15 121.530 0.023 A 23 THR H H 1 7.700 0.011 A 23 THR HA H 1 4.961 0.027 A 23 THR HB H 1 3.821 0.005 A 23 THR HG2% H 1 0.942 0.030 A 23 THR C C 13 175.581 0.300 A 23 THR CA C 13 59.375 0.114 A 23 THR CB C 13 71.708 0.035 A 23 THR N N 15 108.162 0.066 A 24 ALA H H 1 8.265 0.016 A 24 ALA HA H 1 4.243 0.011 A 24 ALA C C 13 173.562 0.300 A 24 ALA CA C 13 50.533 0.036 A 24 ALA CB C 13 21.856 0.025 A 24 ALA N N 15 124.178 0.300 A 25 ARG H H 1 7.866 0.015 A 25 ARG HBx H 1 1.468 0.012 A 25 ARG HBy H 1 1.533 0.025 A 25 ARG HD2 H 1 2.952 0.003 A 25 ARG HD3 H 1 2.952 0.003 A 25 ARG HGy H 1 1.415 0.013 A 25 ARG HGx H 1 1.354 0.030 A 25 ARG C C 13 176.749 0.300 A 25 ARG CA C 13 53.777 0.049 A 25 ARG CB C 13 33.601 0.070 A 25 ARG CD C 13 43.364 0.034 A 25 ARG CG C 13 27.505 0.300 A 25 ARG N N 15 115.093 0.005 A 26 ASP H H 1 9.377 0.012 A 26 ASP HA H 1 4.849 0.018 A 26 ASP HBy H 1 3.415 0.013 A 26 ASP HBx H 1 2.816 0.020 A 26 ASP CA C 13 52.625 0.300 A 26 ASP CB C 13 40.594 0.052 A 26 ASP N N 15 126.621 0.299 A 27 PRO HA H 1 4.305 0.010 A 27 PRO HBx H 1 1.844 0.030 A 27 PRO HBy H 1 2.413 0.026 A 27 PRO HDx H 1 3.629 0.012 A 27 PRO HDy H 1 3.873 0.014 A 27 PRO C C 13 176.323 0.300 A 27 PRO CA C 13 65.656 0.041 A 27 PRO CB C 13 31.959 0.047 A 27 PRO CD C 13 50.634 0.300 A 27 PRO CG C 13 27.104 0.300 A 28 GLU H H 1 7.933 0.011 A 28 GLU HA H 1 4.344 0.007 A 28 GLU HBy H 1 2.199 0.007 A 28 GLU HBx H 1 2.056 0.013 A 28 GLU CA C 13 55.671 0.053 A 28 GLU CB C 13 30.313 0.100 A 28 GLU N N 15 115.086 0.025 A 29 GLY H H 1 8.429 0.015 A 29 GLY HAy H 1 4.246 0.005 A 29 GLY HAx H 1 3.523 0.016 A 29 GLY C C 13 174.929 0.300 A 29 GLY CA C 13 45.348 0.041 A 29 GLY N N 15 108.180 0.016 A 30 LYS H H 1 8.895 0.009 A 30 LYS C C 13 176.537 0.300 A 30 LYS CA C 13 57.723 0.300 A 30 LYS CB C 13 32.465 0.300 A 30 LYS N N 15 124.331 0.011 A 31 ILE H H 1 8.398 0.013 A 31 ILE HA H 1 4.201 0.134 A 31 ILE HB H 1 1.675 0.026 A 31 ILE HD1% H 1 0.724 0.030 A 31 ILE HG12 H 1 1.378 0.030 A 31 ILE HG13 H 1 1.378 0.030 A 31 ILE HG2% H 1 0.977 0.030 A 31 ILE C C 13 174.866 0.300 A 31 ILE CA C 13 61.221 0.030 A 31 ILE CB C 13 39.168 0.095 A 31 ILE CD1 C 13 17.092 0.300 A 31 ILE CG2 C 13 19.216 0.300 A 31 ILE N N 15 125.574 0.081 A 32 TYR H H 1 8.613 0.019 A 32 TYR HA H 1 4.944 0.008 A 32 TYR HBy H 1 2.884 0.018 A 32 TYR HBx H 1 2.356 0.036 A 32 TYR HEy H 1 6.355 0.030 A 32 TYR HEx H 1 6.341 0.030 A 32 TYR C C 13 171.083 0.300 A 32 TYR CA C 13 55.654 0.300 A 32 TYR CB C 13 39.566 0.300 A 32 TYR N N 15 120.913 0.023 A 33 TYR H H 1 8.644 0.016 A 33 TYR HA H 1 5.290 0.020 A 33 TYR HBy H 1 2.929 0.012 A 33 TYR HBx H 1 2.651 0.013 A 33 TYR C C 13 175.406 0.300 A 33 TYR CA C 13 56.476 0.070 A 33 TYR CB C 13 41.891 0.300 A 33 TYR N N 15 116.422 0.038 A 34 TYR H H 1 9.266 0.017 A 34 TYR HBx H 1 2.560 0.014 A 34 TYR HBy H 1 2.609 0.011 A 34 TYR C C 13 170.962 0.300 A 34 TYR CA C 13 55.440 0.043 A 34 TYR CB C 13 43.569 0.030 A 34 TYR N N 15 117.976 0.042 A 35 HIS H H 1 7.644 0.035 A 35 HIS HA H 1 3.885 0.016 A 35 HIS HB2 H 1 2.658 0.042 A 35 HIS HB3 H 1 2.658 0.042 A 35 HIS C C 13 178.636 0.300 A 35 HIS CA C 13 54.788 0.300 A 35 HIS CB C 13 32.272 0.300 A 35 HIS N N 15 124.263 0.030 A 36 VAL H H 1 8.503 0.012 A 36 VAL HA H 1 3.669 0.015 A 36 VAL HB H 1 1.877 0.009 A 36 VAL HGx% H 1 0.672 0.030 A 36 VAL HGy% H 1 0.660 0.024 A 36 VAL C C 13 176.537 0.300 A 36 VAL CA C 13 64.572 0.076 A 36 VAL CB C 13 31.914 0.094 A 36 VAL CGy C 13 21.251 0.300 A 36 VAL CGx C 13 20.242 0.300 A 36 VAL N N 15 123.179 0.018 A 37 ILE H H 1 8.845 0.019 A 37 ILE HA H 1 4.113 0.011 A 37 ILE HB H 1 1.998 0.019 A 37 ILE HD1% H 1 0.750 0.030 A 37 ILE HG1y H 1 1.418 0.009 A 37 ILE HG1x H 1 1.070 0.017 A 37 ILE C C 13 178.177 0.300 A 37 ILE CA C 13 62.557 0.300 A 37 ILE CB C 13 38.116 0.017 A 37 ILE CD1 C 13 11.125 0.047 A 37 ILE CG1 C 13 27.308 0.026 A 37 ILE CG2 C 13 17.247 0.300 A 37 ILE N N 15 120.710 0.037 A 38 THR H H 1 8.889 0.013 A 38 THR HA H 1 3.939 0.012 A 38 THR HB H 1 4.139 0.007 A 38 THR HG2% H 1 0.727 0.030 A 38 THR C C 13 176.610 0.300 A 38 THR CA C 13 63.049 0.300 A 38 THR CB C 13 69.301 0.300 A 38 THR N N 15 112.090 0.013 A 39 ARG H H 1 8.059 0.033 A 39 ARG HA H 1 3.932 0.010 A 39 ARG HBx H 1 1.928 0.012 A 39 ARG HBy H 1 2.049 0.032 A 39 ARG HD2 H 1 3.020 0.008 A 39 ARG HD3 H 1 3.020 0.008 A 39 ARG HG2 H 1 1.519 0.030 A 39 ARG HG3 H 1 1.519 0.030 A 39 ARG C C 13 174.683 0.300 A 39 ARG CA C 13 56.784 0.023 A 39 ARG N N 15 113.685 0.037 A 40 GLN H H 1 7.689 0.011 A 40 GLN HA H 1 4.235 0.020 A 40 GLN HBy H 1 1.956 0.014 A 40 GLN HBx H 1 1.909 0.015 A 40 GLN HE2y H 1 7.853 0.004 A 40 GLN HE2x H 1 7.044 0.018 A 40 GLN HGy H 1 2.323 0.011 A 40 GLN HGx H 1 2.128 0.003 A 40 GLN C C 13 174.846 0.300 A 40 GLN CA C 13 56.092 0.300 A 40 GLN CB C 13 29.485 0.300 A 40 GLN CG C 13 33.582 0.300 A 40 GLN N N 15 118.874 0.020 A 40 GLN NE2 N 15 113.548 0.031 A 41 THR H H 1 8.149 0.009 A 41 THR HB H 1 3.844 0.022 A 41 THR HG2% H 1 1.194 0.030 A 41 THR C C 13 174.892 0.300 A 41 THR CA C 13 59.109 0.058 A 41 THR CB C 13 73.064 0.054 A 41 THR N N 15 110.442 0.334 A 42 GLN H H 1 9.092 0.006 A 42 GLN HA H 1 4.309 0.030 A 42 GLN HBy H 1 2.492 0.096 A 42 GLN HBx H 1 2.119 0.017 A 42 GLN HE2y H 1 7.464 0.030 A 42 GLN HE2x H 1 6.734 0.030 A 42 GLN C C 13 174.849 0.300 A 42 GLN CA C 13 55.340 0.300 A 42 GLN CB C 13 32.221 0.300 A 42 GLN N N 15 113.851 0.025 A 42 GLN NE2 N 15 112.596 0.300 A 43 TRP H H 1 8.988 0.002 A 43 TRP HBx H 1 3.075 0.012 A 43 TRP HBy H 1 3.541 0.013 A 43 TRP HE1 H 1 9.969 0.030 A 43 TRP C C 13 176.109 0.300 A 43 TRP CA C 13 59.210 0.300 A 43 TRP CB C 13 31.257 0.130 A 43 TRP N N 15 120.309 0.043 A 43 TRP NE1 N 15 129.687 0.300 A 44 ASP H H 1 7.806 0.015 A 44 ASP HA H 1 5.048 0.042 A 44 ASP HBx H 1 2.259 0.017 A 44 ASP HBy H 1 2.526 0.041 A 44 ASP CA C 13 51.638 0.126 A 44 ASP CB C 13 40.185 0.374 A 44 ASP N N 15 116.214 0.027 A 46 PRO HA H 1 3.744 0.008 A 46 PRO C C 13 175.368 0.300 A 46 PRO CA C 13 61.186 0.036 A 46 PRO CB C 13 30.471 0.050 A 46 PRO CD C 13 49.528 0.032 A 46 PRO CG C 13 26.225 0.046 A 47 THR H H 1 7.706 0.013 A 47 THR HA H 1 4.140 0.008 A 47 THR HB H 1 4.090 0.007 A 47 THR HG2% H 1 1.004 0.030 A 47 THR C C 13 174.132 0.300 A 47 THR CA C 13 60.809 0.300 A 47 THR CB C 13 70.206 0.038 A 47 THR CG2 C 13 21.537 0.300 A 47 THR N N 15 112.549 0.017 A 48 TRP H H 1 8.432 0.007 A 48 TRP HA H 1 4.340 0.018 A 48 TRP HBy H 1 3.202 0.026 A 48 TRP HBx H 1 2.974 0.004 A 48 TRP HE1 H 1 10.023 0.004 A 48 TRP C C 13 175.852 0.300 A 48 TRP CA C 13 57.750 0.063 A 48 TRP CB C 13 29.261 0.045 A 48 TRP N N 15 123.411 0.015 A 48 TRP NE1 N 15 129.393 0.024 A 49 GLU H H 1 8.246 0.005 A 49 GLU HA H 1 4.157 0.008 A 49 GLU HBy H 1 1.869 0.008 A 49 GLU HBx H 1 1.754 0.025 A 49 GLU HG2 H 1 2.061 0.008 A 49 GLU HG3 H 1 2.061 0.008 A 49 GLU C C 13 175.724 0.300 A 49 GLU CA C 13 56.016 0.300 A 49 GLU CB C 13 30.509 0.102 A 49 GLU CG C 13 36.070 0.029 A 49 GLU N N 15 123.053 0.018 A 50 SER H H 1 8.228 0.009 A 50 SER HA H 1 4.436 0.097 A 50 SER HBy H 1 4.321 0.030 A 50 SER HBx H 1 3.907 0.193 A 50 SER CA C 13 56.119 0.300 A 50 SER CB C 13 63.309 0.300 A 50 SER N N 15 118.135 0.300 A 51 PRO HA H 1 4.299 0.002 A 51 PRO HB2 H 1 2.172 0.006 A 51 PRO HB3 H 1 2.172 0.006 A 51 PRO HD2 H 1 3.672 0.002 A 51 PRO HD3 H 1 3.672 0.002 A 51 PRO C C 13 177.365 0.300 A 51 PRO CA C 13 63.458 0.300 A 51 PRO CB C 13 32.004 0.300 A 51 PRO CD C 13 50.648 0.300 A 51 PRO CG C 13 27.245 0.300 A 52 GLY H H 1 8.309 0.007 A 52 GLY HAy H 1 3.962 0.008 A 52 GLY HAx H 1 3.821 0.034 A 52 GLY C C 13 173.865 0.300 A 52 GLY CA C 13 45.040 0.030 A 52 GLY N N 15 109.163 0.014 A 53 ASP H H 1 8.175 0.003 A 53 ASP HA H 1 4.507 0.002 A 53 ASP HBx H 1 2.454 0.002 A 53 ASP HBy H 1 2.467 0.030 A 53 ASP C C 13 176.049 0.300 A 53 ASP CA C 13 54.385 0.300 A 53 ASP CB C 13 41.202 0.300 A 53 ASP N N 15 120.553 0.300 A 54 ASP H H 1 8.287 0.045 A 54 ASP HA H 1 4.483 0.008 A 54 ASP C C 13 175.804 0.300 A 54 ASP CA C 13 54.197 0.300 A 54 ASP CB C 13 40.934 0.300 A 54 ASP N N 15 119.209 0.300 A 55 ALA H H 1 8.119 0.030 A 55 ALA HA H 1 4.186 0.071 A 55 ALA HB% H 1 1.296 0.030 A 55 ALA C C 13 176.839 0.300 A 55 ALA CA C 13 52.271 0.300 A 55 ALA CB C 13 19.294 0.300 A 55 ALA N N 15 124.837 0.300 A 56 SER H H 1 7.881 0.030 A 56 SER HA H 1 4.137 0.007 A 56 SER HB2 H 1 3.724 0.027 A 56 SER HB3 H 1 3.724 0.027 A 56 SER CA C 13 60.090 0.300 A 56 SER CB C 13 64.801 0.300 A 56 SER N N 15 121.240 0.300 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 SER HA A 3 ASP H 1.0 1.965 4.981 2 2 A 3 ASP H A 2 SER HB3 1.0 1.464 2.392 3 3 A 2 SER HB3 A 21 TRP HA 1.0 1.900 4.312 4 4 A 2 SER HB3 A 3 ASP HBx 1.0 0.000 45.321 5 5 A 3 ASP HA A 3 ASP HBy 1.0 1.692 3.168 6 6 A 3 ASP HBx A 3 ASP HA 1.0 1.537 2.613 7 7 A 3 ASP H A 3 ASP HBx 1.0 1.978 5.186 8 8 A 3 ASP HBy A 4 LEU H 1.0 1.780 3.566 9 9 A 3 ASP HBy A 20 ASN HBy 1.0 1.874 4.118 10 10 A 3 ASP HA A 4 LEU H 1.0 1.727 3.321 11 11 A 3 ASP HBx A 4 LEU H 1.0 1.819 3.773 12 12 A 4 LEU HBy A 4 LEU HA 1.0 1.666 3.068 13 13 A 4 LEU HBy A 4 LEU HG 1.0 1.575 2.737 14 14 A 4 LEU H A 4 LEU HBy 1.0 1.701 3.203 15 15 A 4 LEU H A 4 LEU HA 1.0 1.665 3.061 16 16 A 4 LEU H A 4 LEU HG 1.0 1.729 3.325 17 17 A 4 LEU HA A 36 VAL HGy% 1.0 0.973 12.761 18 18 A 4 LEU HBy A 36 VAL HB 1.0 1.580 2.754 19 19 A 8 SER H A 7 PRO HBx 1.0 1.812 3.738 20 20 A 8 SER H A 8 SER HBx 1.0 1.446 2.344 21 21 A 8 SER H A 8 SER HA 1.0 1.835 3.869 22 22 A 8 SER H A 8 SER HBy 1.0 1.651 3.007 23 23 A 15 ILE HA A 15 ILE HD1% 1.0 1.428 2.292 24 24 A 15 ILE HA A 15 ILE HG13 1.0 1.912 4.404 25 25 A 15 ILE HA A 15 ILE HB 1.0 1.585 2.773 26 26 A 15 ILE HD1% A 15 ILE HB 1.0 1.530 2.592 27 27 A 15 ILE HB A 15 ILE HG2% 1.0 1.673 3.093 28 28 A 15 ILE HA A 15 ILE HG2% 1.0 1.849 3.951 29 29 A 15 ILE HG2% A 15 ILE H 1.0 1.967 7.059 30 30 A 15 ILE HA A 15 ILE H 1.0 1.600 2.822 31 31 A 15 ILE HB A 15 ILE H 1.0 1.488 2.464 32 32 A 15 ILE HG13 A 15 ILE H 1.0 1.827 3.825 33 33 A 15 ILE HA A 16 VAL HB 1.0 2.000 6.006 34 34 A 15 ILE HA A 16 VAL H 1.0 1.548 2.650 35 35 A 15 ILE HG13 A 16 VAL H 1.0 1.926 4.536 36 36 A 16 VAL HB A 16 VAL HA 1.0 1.856 3.994 37 37 A 16 VAL HB A 16 VAL HG2% 1.0 1.545 2.641 38 38 A 16 VAL HB A 16 VAL H 1.0 1.381 2.169 39 39 A 16 VAL HA A 17 LEU HBx 1.0 1.871 4.101 40 40 A 16 VAL HA A 17 LEU H 1.0 1.549 2.651 41 41 A 17 LEU HA A 17 LEU HDy% 1.0 1.814 3.748 42 42 A 17 LEU H A 17 LEU HA 1.0 1.920 4.480 43 43 A 17 LEU HBx A 17 LEU HA 1.0 1.793 3.635 44 44 A 17 LEU HBx A 17 LEU HDx% 1.0 1.837 3.879 45 45 A 17 LEU HBx A 17 LEU HDy% 1.0 1.855 3.987 46 46 A 17 LEU HA A 17 LEU HBy 1.0 1.887 4.209 47 47 A 17 LEU HDx% A 17 LEU HBy 1.0 1.817 3.763 48 48 A 17 LEU HDy% A 17 LEU HBy 1.0 1.802 3.680 49 49 A 17 LEU H A 17 LEU HBy 1.0 1.768 3.508 50 50 A 17 LEU HBx A 17 LEU H 1.0 1.639 2.963 51 51 A 17 LEU HBx A 19 PRO HDy 1.0 1.859 4.017 52 52 A 17 LEU HBy A 19 PRO HA 1.0 1.978 5.166 53 53 A 17 LEU HBy A 19 PRO HDy 1.0 1.739 3.369 54 54 A 17 LEU H A 48 TRP HBx 1.0 1.954 4.828 55 55 A 19 PRO HA A 19 PRO HBx 1.0 1.730 3.332 56 56 A 19 PRO HA A 19 PRO HBy 1.0 1.801 3.675 57 57 A 19 PRO HDy A 19 PRO HA 1.0 1.820 3.780 58 58 A 19 PRO HA A 21 TRP H 1.0 1.968 7.032 59 59 A 19 PRO HBy A 20 ASN H 1.0 1.810 3.724 60 60 A 19 PRO HDy A 20 ASN H 1.0 1.980 5.222 61 61 A 20 ASN H A 19 PRO HG3 1.0 1.797 3.653 62 62 A 20 ASN HBx A 20 ASN HA 1.0 1.492 2.476 63 63 A 20 ASN H A 20 ASN HBx 1.0 1.868 4.074 64 64 A 20 ASN HBy A 20 ASN HA 1.0 1.606 2.842 65 65 A 20 ASN HBy A 20 ASN HD2y 1.0 1.774 3.540 66 66 A 20 ASN HBy A 20 ASN HD2x 1.0 1.921 4.493 67 67 A 20 ASN HBy A 20 ASN H 1.0 1.894 4.262 68 68 A 20 ASN HA A 20 ASN HD2y 1.0 1.986 5.348 69 69 A 20 ASN HBx A 20 ASN HD2y 1.0 1.773 3.533 70 70 A 20 ASN HBx A 20 ASN HD2x 1.0 1.859 4.017 71 71 A 20 ASN H A 20 ASN HA 1.0 1.689 3.153 72 72 A 21 TRP H A 20 ASN H 1.0 1.780 3.568 73 73 A 20 ASN HD2y A 22 LYS HGy 1.0 1.990 5.436 74 74 A 36 VAL HGy% A 20 ASN HBx 1.0 1.861 4.025 75 75 A 20 ASN HBy A 36 VAL HGy% 1.0 1.814 3.748 76 76 A 36 VAL HB A 20 ASN HD2y 1.0 1.801 3.675 77 77 A 36 VAL HGy% A 20 ASN H 1.0 1.879 4.153 78 78 A 20 ASN HD2y A 37 ILE HD1% 1.0 1.739 3.375 79 79 A 20 ASN HD2x A 37 ILE HD1% 1.0 1.810 3.722 80 80 A 21 TRP H A 20 ASN HA 1.0 1.817 3.759 81 81 A 21 TRP H A 20 ASN HD2x 1.0 1.810 3.722 82 82 A 21 TRP HA A 21 TRP HBy 1.0 1.917 4.457 83 83 A 21 TRP HA A 21 TRP HBx 1.0 1.991 5.459 84 84 A 21 TRP HA A 21 TRP H 1.0 1.872 4.106 85 85 A 21 TRP H A 21 TRP HBx 1.0 1.618 2.886 86 86 A 21 TRP HBx A 22 LYS H 1.0 1.843 3.917 87 87 A 21 TRP H A 35 HIS HB2 1.0 1.849 3.957 88 88 A 36 VAL HGy% A 21 TRP HBx 1.0 1.504 2.512 89 89 A 21 TRP H A 36 VAL H 1.0 1.810 3.726 90 90 A 21 TRP HA A 22 LYS HA 1.0 1.833 3.853 91 91 A 21 TRP HA A 22 LYS H 1.0 1.766 3.498 92 92 A 21 TRP HBy A 22 LYS H 1.0 1.756 3.446 93 93 A 21 TRP H A 22 LYS H 1.0 1.904 4.346 94 94 A 22 LYS HGy A 22 LYS HA 1.0 1.609 2.851 95 95 A 22 LYS H A 22 LYS HA 1.0 1.867 4.065 96 96 A 22 LYS HA A 22 LYS HB2 1.0 1.676 3.102 97 97 A 22 LYS HGy A 22 LYS HB2 1.0 1.756 3.452 98 98 A 22 LYS HA A 22 LYS HB3 1.0 1.779 3.559 99 99 A 22 LYS HB2 A 22 LYS HB3 1.0 1.635 2.949 100 100 A 22 LYS HGy A 22 LYS HB3 1.0 1.881 4.169 101 101 A 22 LYS H A 22 LYS HDy 1.0 1.956 4.854 102 102 A 22 LYS H A 22 LYS HB3 1.0 1.807 3.705 103 103 A 22 LYS H A 22 LYS HDx 1.0 1.811 3.729 104 104 A 22 LYS HGx A 23 THR H 1.0 1.966 7.080 105 105 A 22 LYS H A 23 THR H 1.0 1.925 4.523 106 106 A 22 LYS H A 34 TYR H 1.0 1.853 3.981 107 107 A 22 LYS HA A 23 THR HB 1.0 1.861 4.033 108 108 A 22 LYS HB3 A 23 THR H 1.0 1.795 3.647 109 109 A 22 LYS HGy A 23 THR H 1.0 1.550 10.248 110 110 A 23 THR HA A 23 THR HG2% 1.0 1.919 4.473 111 111 A 23 THR HB A 23 THR HA 1.0 1.841 3.903 112 112 A 23 THR HB A 23 THR HG2% 1.0 1.703 3.215 113 113 A 23 THR H A 23 THR HB 1.0 1.899 4.301 114 114 A 23 THR H A 23 THR HA 1.0 1.949 4.773 115 115 A 23 THR H A 32 TYR HEx 1.0 1.491 10.547 116 116 A 23 THR HB A 33 TYR H 1.0 1.965 7.095 117 117 A 24 ALA HA A 24 ALA HB1 1.0 1.665 3.063 118 118 A 24 ALA HA A 24 ALA H 1.0 1.843 3.917 119 119 A 24 ALA HB1 A 24 ALA H 1.0 1.894 4.266 120 120 A 24 ALA HA A 25 ARG HBy 1.0 1.820 3.780 121 121 A 24 ALA HA A 25 ARG HGx 1.0 1.672 9.564 122 122 A 24 ALA HA A 25 ARG H 1.0 1.695 3.181 123 123 A 24 ALA HB1 A 25 ARG HA 1.0 1.987 5.381 124 124 A 24 ALA HA A 32 TYR HA 1.0 1.999 5.835 125 125 A 24 ALA HB1 A 25 ARG H 1.0 1.634 2.944 126 126 A 25 ARG H A 25 ARG HA 1.0 1.760 3.468 127 127 A 25 ARG HA A 25 ARG HBx 1.0 1.996 6.382 128 128 A 25 ARG HBx A 25 ARG HD3 1.0 1.697 3.189 129 129 A 25 ARG HBy A 25 ARG HA 1.0 1.638 2.958 130 130 A 25 ARG HBy A 25 ARG HD3 1.0 1.452 2.362 131 131 A 25 ARG HBy A 25 ARG H 1.0 1.206 11.834 132 132 A 25 ARG HA A 25 ARG HD3 1.0 1.859 4.017 133 133 A 25 ARG H A 25 ARG HD3 1.0 1.950 4.788 134 134 A 25 ARG H A 25 ARG HBx 1.0 1.642 2.974 135 135 A 25 ARG HD3 A 26 ASP H 1.0 1.951 4.799 136 136 A 25 ARG HD3 A 31 ILE HG2% 1.0 1.828 3.824 137 137 A 25 ARG HA A 32 TYR H 1.0 1.490 2.472 138 138 A 25 ARG HD3 A 32 TYR H 1.0 1.998 6.298 139 139 A 25 ARG HBy A 26 ASP HBx 1.0 2.000 5.984 140 140 A 25 ARG HA A 26 ASP H 1.0 1.719 3.283 141 141 A 25 ARG HBx A 26 ASP H 1.0 1.873 8.145 142 142 A 25 ARG HGx A 26 ASP H 1.0 1.941 4.687 143 143 A 26 ASP HBy A 26 ASP HA 1.0 1.849 3.951 144 144 A 26 ASP HBx A 26 ASP HA 1.0 1.812 3.732 145 145 A 26 ASP H A 26 ASP HA 1.0 1.829 3.833 146 146 A 26 ASP H A 26 ASP HBy 1.0 1.812 3.738 147 147 A 26 ASP H A 26 ASP HBx 1.0 1.892 4.254 148 148 A 26 ASP H A 27 PRO HDy 1.0 1.928 4.554 149 149 A 26 ASP H A 30 LYS H 1.0 1.923 4.511 150 150 A 26 ASP H A 31 ILE H 1.0 1.997 5.701 151 151 A 26 ASP HA A 27 PRO HA 1.0 1.894 4.270 152 152 A 27 PRO HA A 27 PRO HBx 1.0 1.701 3.203 153 153 A 27 PRO HA A 27 PRO HBy 1.0 1.678 3.114 154 154 A 27 PRO HBx A 27 PRO HDx 1.0 1.790 3.618 155 155 A 27 PRO HDy A 27 PRO HBx 1.0 1.810 3.722 156 156 A 27 PRO HA A 28 GLU H 1.0 1.980 6.832 157 157 A 27 PRO HBx A 28 GLU HA 1.0 1.997 5.693 158 158 A 27 PRO HBx A 28 GLU H 1.0 1.897 4.291 159 159 A 27 PRO HDx A 28 GLU H 1.0 1.865 4.055 160 160 A 27 PRO HDy A 28 GLU H 1.0 1.760 3.472 161 161 A 28 GLU HA A 28 GLU HBx 1.0 1.567 2.709 162 162 A 28 GLU H A 28 GLU HA 1.0 1.770 3.518 163 163 A 28 GLU H A 28 GLU HBy 1.0 1.762 3.474 164 164 A 28 GLU H A 28 GLU HBx 1.0 1.554 2.668 165 165 A 28 GLU HA A 29 GLY H 1.0 1.619 2.889 166 166 A 28 GLU HBy A 29 GLY H 1.0 1.921 4.483 167 167 A 28 GLU H A 29 GLY H 1.0 1.683 3.133 168 168 A 27 PRO HA A 29 GLY H 1.0 1.658 3.034 169 169 A 28 GLU HBx A 29 GLY H 1.0 1.837 3.879 170 170 A 29 GLY H A 29 GLY HAy 1.0 1.684 3.140 171 171 A 30 LYS H A 28 GLU HBy 1.0 1.768 3.504 172 172 A 30 LYS H A 28 GLU H 1.0 1.933 4.603 173 173 A 30 LYS H A 29 GLY H 1.0 1.802 3.682 174 174 A 25 ARG HGx A 31 ILE H 1.0 1.776 3.550 175 175 A 31 ILE HA A 31 ILE HB 1.0 1.953 4.823 176 176 A 31 ILE HA A 31 ILE HD1% 1.0 1.303 1.973 177 177 A 31 ILE HA A 31 ILE HG13 1.0 1.896 4.282 178 178 A 31 ILE HG2% A 31 ILE HA 1.0 1.327 2.031 179 179 A 31 ILE HG2% A 31 ILE HB 1.0 1.667 3.071 180 180 A 31 ILE H A 31 ILE HB 1.0 1.813 3.743 181 181 A 31 ILE H A 31 ILE HD1% 1.0 1.768 3.504 182 182 A 31 ILE HG2% A 31 ILE H 1.0 1.885 4.197 183 183 A 25 ARG HBy A 32 TYR H 1.0 1.763 3.483 184 184 A 32 TYR H A 31 ILE HD1% 1.0 1.869 4.085 185 185 A 31 ILE HG2% A 32 TYR H 1.0 1.892 4.248 186 186 A 23 THR HG2% A 33 TYR HA 1.0 1.823 3.795 187 187 A 23 THR H A 33 TYR HA 1.0 1.872 4.106 188 188 A 32 TYR HEx A 33 TYR HA 1.0 1.980 5.210 189 189 A 33 TYR H A 32 TYR HBy 1.0 1.797 3.653 190 190 A 33 TYR HA A 33 TYR HBy 1.0 1.885 4.203 191 191 A 33 TYR HA A 33 TYR HBx 1.0 1.842 3.910 192 192 A 33 TYR H A 33 TYR HA 1.0 1.971 5.053 193 193 A 33 TYR H A 33 TYR HBy 1.0 1.847 3.939 194 194 A 33 TYR H A 33 TYR HBx 1.0 1.862 4.038 195 195 A 33 TYR HA A 42 GLN HE2x 1.0 1.845 3.931 196 196 A 21 TRP HBy A 34 TYR HA 1.0 1.851 3.965 197 197 A 22 LYS HB2 A 34 TYR H 1.0 1.997 5.683 198 198 A 34 TYR H A 23 THR HB 1.0 1.979 5.199 199 199 A 32 TYR HEx A 34 TYR HA 1.0 1.994 5.580 200 200 A 32 TYR HEx A 34 TYR HBx 1.0 1.816 3.758 201 201 A 32 TYR HEx A 34 TYR HBy 1.0 1.830 3.836 202 202 A 34 TYR H A 32 TYR HEx 1.0 1.841 3.907 203 203 A 34 TYR H A 33 TYR HA 1.0 1.763 3.481 204 204 A 34 TYR H A 33 TYR HBy 1.0 1.972 5.076 205 205 A 34 TYR H A 33 TYR HBx 1.0 1.855 3.991 206 206 A 34 TYR HA A 34 TYR HBy 1.0 1.756 3.448 207 207 A 34 TYR HA A 34 TYR HBx 1.0 1.875 4.123 208 208 A 34 TYR H A 34 TYR HBx 1.0 1.998 5.770 209 209 A 34 TYR H A 34 TYR HA 1.0 1.929 4.563 210 210 A 34 TYR H A 34 TYR HBy 1.0 1.906 4.358 211 211 A 34 TYR HBy A 35 HIS H 1.0 0.000 17.208 212 212 A 34 TYR HA A 41 THR HG2% 1.0 1.890 7.994 213 213 A 34 TYR HBx A 41 THR HA 1.0 0.186 15.432 214 214 A 34 TYR HBx A 41 THR HG2% 1.0 1.941 4.689 215 215 A 34 TYR HBy A 41 THR HA 1.0 1.833 3.853 216 216 A 34 TYR HBy A 41 THR HG2% 1.0 1.871 4.099 217 217 A 42 GLN HE2x A 34 TYR HA 1.0 1.892 4.256 218 218 A 34 TYR HA A 42 GLN H 1.0 1.996 5.676 219 219 A 21 TRP HBx A 35 HIS H 1.0 1.919 4.471 220 220 A 34 TYR HA A 35 HIS H 1.0 1.780 3.568 221 221 A 34 TYR HBx A 35 HIS H 1.0 1.732 3.340 222 222 A 35 HIS H A 35 HIS HA 1.0 1.918 4.464 223 223 A 36 VAL HA A 4 LEU HBx 1.0 1.830 3.836 224 224 A 20 ASN HBx A 36 VAL H 1.0 1.980 6.802 225 225 A 35 HIS HB2 A 36 VAL H 1.0 1.648 2.994 226 226 A 36 VAL HB A 36 VAL HA 1.0 1.763 3.481 227 227 A 36 VAL HGy% A 36 VAL HA 1.0 1.690 3.158 228 228 A 36 VAL HGy% A 36 VAL HB 1.0 1.556 2.676 229 229 A 36 VAL H A 37 ILE H 1.0 1.818 3.766 230 230 A 20 ASN HBx A 37 ILE HD1% 1.0 1.911 4.399 231 231 A 20 ASN HBx A 37 ILE H 1.0 1.918 4.462 232 232 A 37 ILE HD1% A 36 VAL H 1.0 1.883 4.183 233 233 A 36 VAL HA A 37 ILE H 1.0 1.923 4.505 234 234 A 37 ILE HD1% A 37 ILE HB 1.0 1.777 3.555 235 235 A 37 ILE HB A 37 ILE HG1y 1.0 1.974 5.102 236 236 A 37 ILE HB A 37 ILE HG1x 1.0 1.873 4.109 237 237 A 37 ILE H A 37 ILE HB 1.0 1.732 3.340 238 238 A 37 ILE H A 37 ILE HA 1.0 1.812 3.738 239 239 A 37 ILE HD1% A 37 ILE H 1.0 1.625 2.911 240 240 A 37 ILE H A 37 ILE HG1y 1.0 1.799 3.661 241 241 A 37 ILE H A 37 ILE HG1x 1.0 1.754 3.436 242 242 A 37 ILE H A 39 ARG H 1.0 1.907 4.365 243 243 A 37 ILE HB A 38 THR H 1.0 1.769 3.515 244 244 A 37 ILE HG1x A 38 THR H 1.0 1.852 3.976 245 245 A 38 THR H A 38 THR HB 1.0 1.866 4.062 246 246 A 38 THR H A 38 THR HG2% 1.0 1.625 2.911 247 247 A 39 ARG H A 38 THR HA 1.0 1.713 3.253 248 248 A 39 ARG H A 38 THR H 1.0 1.768 3.510 249 249 A 39 ARG HA A 39 ARG HBy 1.0 1.853 3.979 250 250 A 39 ARG HA A 39 ARG HD3 1.0 1.838 3.884 251 251 A 39 ARG H A 39 ARG HA 1.0 1.797 3.653 252 252 A 39 ARG HBy A 39 ARG HD3 1.0 1.874 4.120 253 253 A 39 ARG H A 39 ARG HD3 1.0 1.855 3.991 254 254 A 39 ARG HA A 40 GLN H 1.0 1.917 4.455 255 255 A 40 GLN HE2y A 35 HIS HB3 1.0 1.999 6.077 256 256 A 35 HIS HB3 A 40 GLN HE2x 1.0 1.992 5.502 257 257 A 38 THR H A 40 GLN H 1.0 1.927 4.551 258 258 A 39 ARG H A 40 GLN HGy 1.0 1.890 4.232 259 259 A 39 ARG H A 40 GLN HGx 1.0 1.941 4.685 260 260 A 39 ARG H A 40 GLN H 1.0 1.772 3.526 261 261 A 40 GLN HE2y A 40 GLN HBy 1.0 1.918 4.460 262 262 A 40 GLN HE2y A 40 GLN HGy 1.0 1.840 3.894 263 263 A 40 GLN HE2y A 40 GLN HGx 1.0 1.778 3.556 264 264 A 40 GLN HE2x A 40 GLN HBx 1.0 0.000 25.983 265 265 A 40 GLN HE2y A 40 GLN HE2x 1.0 1.437 2.319 266 266 A 40 GLN HGy A 40 GLN HA 1.0 1.730 3.330 267 267 A 40 GLN HE2x A 40 GLN HGy 1.0 1.951 4.795 268 268 A 40 GLN H A 40 GLN HGy 1.0 1.856 3.994 269 269 A 40 GLN HGx A 40 GLN HA 1.0 1.800 3.670 270 270 A 40 GLN HE2x A 40 GLN HGx 1.0 1.800 3.670 271 271 A 40 GLN H A 40 GLN HA 1.0 1.819 3.775 272 272 A 40 GLN H A 40 GLN HGx 1.0 1.875 4.123 273 273 A 7 PRO HBx A 41 THR HA 1.0 1.890 4.238 274 274 A 41 THR HB A 7 PRO HG3 1.0 1.941 4.685 275 275 A 34 TYR HA A 41 THR HA 1.0 1.291 1.947 276 276 A 34 TYR HBx A 41 THR HB 1.0 1.892 4.246 277 277 A 34 TYR HBx A 41 THR H 1.0 1.938 4.654 278 278 A 35 HIS H A 41 THR H 1.0 1.930 4.572 279 279 A 40 GLN HA A 41 THR H 1.0 1.646 2.986 280 280 A 40 GLN HBx A 41 THR H 1.0 1.742 3.384 281 281 A 40 GLN HE2y A 41 THR H 1.0 1.932 7.536 282 282 A 41 THR HG2% A 41 THR HA 1.0 1.835 3.865 283 283 A 41 THR HA A 41 THR HB 1.0 1.859 4.017 284 284 A 41 THR HG2% A 41 THR HB 1.0 1.797 3.653 285 285 A 41 THR HA A 41 THR H 1.0 1.914 4.426 286 286 A 41 THR HB A 41 THR H 1.0 1.797 3.653 287 287 A 41 THR HG2% A 41 THR H 1.0 1.822 3.794 288 288 A 42 GLN HE2x A 41 THR HA 1.0 1.967 5.003 289 289 A 42 GLN HE2x A 41 THR HB 1.0 1.987 5.377 290 290 A 32 TYR HBy A 42 GLN H 1.0 1.913 4.419 291 291 A 33 TYR HBy A 42 GLN H 1.0 1.820 3.782 292 292 A 41 THR HA A 42 GLN H 1.0 1.780 3.568 293 293 A 42 GLN H A 41 THR HB 1.0 1.902 4.330 294 294 A 42 GLN HE2x A 42 GLN HBy 1.0 1.773 3.533 295 295 A 42 GLN H A 42 GLN HBy 1.0 1.838 3.884 296 296 A 42 GLN HE2x A 42 GLN H 1.0 1.843 3.911 297 297 A 32 TYR HA A 43 TRP HBx 1.0 1.852 3.972 298 298 A 32 TYR HA A 43 TRP HBy 1.0 1.715 3.263 299 299 A 43 TRP HBx A 43 TRP HBy 1.0 1.686 3.146 300 300 A 43 TRP HBx A 43 TRP H 1.0 1.878 4.146 301 301 A 43 TRP HBy A 43 TRP H 1.0 1.910 4.390 302 302 A 43 TRP H A 44 ASP HA 1.0 1.980 5.216 303 303 A 43 TRP H A 44 ASP H 1.0 1.821 3.783 304 304 A 43 TRP HBx A 44 ASP H 1.0 1.840 3.894 305 305 A 43 TRP HBy A 44 ASP H 1.0 1.892 4.244 306 306 A 44 ASP HA A 44 ASP HBx 1.0 1.777 3.551 307 307 A 44 ASP H A 44 ASP HBx 1.0 1.977 5.173 308 308 A 44 ASP HA A 44 ASP HBy 1.0 1.808 3.712 309 309 A 44 ASP HBx A 44 ASP HBy 1.0 1.684 3.138 310 310 A 44 ASP HA A 44 ASP H 1.0 1.967 4.999 311 311 A 44 ASP H A 44 ASP HBy 1.0 1.766 3.498 312 312 A 46 PRO HBx A 46 PRO HA 1.0 1.738 3.364 313 313 A 46 PRO HBx A 46 PRO HBy 1.0 1.660 3.044 314 314 A 46 PRO HBx A 46 PRO HDx 1.0 1.999 5.777 315 315 A 46 PRO HA A 46 PRO HBy 1.0 1.745 3.397 316 316 A 46 PRO HBy A 46 PRO HDx 1.0 1.904 4.344 317 317 A 46 PRO HBy A 46 PRO HDy 1.0 1.858 4.010 318 318 A 46 PRO HA A 46 PRO HGx 1.0 1.974 5.124 319 319 A 46 PRO HBx A 46 PRO HGx 1.0 1.708 3.232 320 320 A 46 PRO HDx A 46 PRO HGx 1.0 1.772 3.526 321 321 A 46 PRO HDy A 46 PRO HGx 1.0 1.439 2.323 322 322 A 46 PRO HA A 46 PRO HGy 1.0 1.924 4.510 323 323 A 46 PRO HDx A 46 PRO HGy 1.0 1.805 3.699 324 324 A 46 PRO HDy A 46 PRO HGy 1.0 1.867 4.065 325 325 A 46 PRO HGx A 46 PRO HGy 1.0 1.670 3.082 326 326 A 46 PRO HA A 47 THR HG2% 1.0 1.978 5.182 327 327 A 46 PRO HBx A 47 THR H 1.0 1.861 4.025 328 328 A 46 PRO HBy A 47 THR H 1.0 1.885 4.197 329 329 A 48 TRP HBx A 46 PRO HGx 1.0 1.895 4.273 330 330 A 48 TRP HBx A 46 PRO HGy 1.0 2.000 5.960 331 331 A 46 PRO HA A 47 THR H 1.0 1.643 2.975 332 332 A 47 THR HG2% A 47 THR HB 1.0 1.643 2.977 333 333 A 47 THR H A 47 THR HB 1.0 1.710 3.246 334 334 A 47 THR HG2% A 47 THR H 1.0 1.749 3.417 335 335 A 47 THR H A 48 TRP H 1.0 1.880 4.156 336 336 A 48 TRP HBx A 47 THR HA 1.0 1.870 4.090 337 337 A 48 TRP H A 47 THR HA 1.0 1.525 2.577 338 338 A 47 THR HG2% A 48 TRP H 1.0 1.752 3.432 339 339 A 48 TRP HBy A 48 TRP HA 1.0 1.736 3.356 340 340 A 48 TRP HBx A 48 TRP HA 1.0 1.678 3.114 341 341 A 48 TRP HBy A 48 TRP HE1 1.0 1.998 5.730 342 342 A 48 TRP HBx A 48 TRP HE1 1.0 1.943 4.699 343 343 A 48 TRP H A 48 TRP HA 1.0 1.886 4.206 344 344 A 48 TRP H A 48 TRP HBy 1.0 1.698 3.192 345 345 A 48 TRP HBx A 48 TRP H 1.0 1.752 3.432 346 346 A 48 TRP HA A 49 GLU HBy 1.0 1.963 4.953 347 347 A 48 TRP H A 49 GLU H 1.0 1.797 3.653 348 348 A 48 TRP HA A 49 GLU H 1.0 1.718 3.278 349 349 A 48 TRP HBy A 49 GLU H 1.0 1.823 3.799 350 350 A 48 TRP HBx A 49 GLU H 1.0 1.881 4.165 351 351 A 49 GLU HG3 A 49 GLU HA 1.0 1.733 3.345 352 352 A 49 GLU H A 49 GLU HA 1.0 1.695 3.183 353 353 A 49 GLU HBx A 50 SER H 1.0 1.435 2.311 354 354 A 49 GLU HG3 A 50 SER H 1.0 1.780 3.566 355 355 A 52 GLY H A 51 PRO HA 1.0 1.710 3.246 356 356 A 52 GLY H A 51 PRO HB3 1.0 1.923 4.511 357 357 A 52 GLY H A 51 PRO HD3 1.0 1.874 4.116 358 358 A 52 GLY H A 52 GLY HAy 1.0 1.853 3.979 359 359 A 52 GLY HAy A 53 ASP H 1.0 1.915 4.435 360 360 A 54 ASP H A 53 ASP HBy 1.0 1.893 4.261 stop_ save_