data_nef_c18679_2lxj 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 18680 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 MET start . . 2 A 2 GLU middle . . 3 A 3 GLN middle . . 4 A 4 GLY middle . false 5 A 5 THR middle . . 6 A 6 VAL middle . . 7 A 7 LYS middle . . 8 A 8 TRP middle . . 9 A 9 PHE middle . . 10 A 10 ASN middle . . 11 A 11 ALA middle . . 12 A 12 GLU middle . . 13 A 13 LYS middle . . 14 A 14 GLY middle . false 15 A 15 PHE middle . . 16 A 16 GLY middle . false 17 A 17 PHE middle . . 18 A 18 ILE middle . . 19 A 19 GLU middle . . 20 A 20 ARG middle . . 21 A 21 GLU middle . . 22 A 22 ASN middle . . 23 A 23 GLY middle . false 24 A 24 ASP middle . . 25 A 25 ASP middle . . 26 A 26 VAL middle . . 27 A 27 PHE middle . . 28 A 28 VAL middle . . 29 A 29 HIS middle . . 30 A 30 PHE middle . . 31 A 31 SER middle . . 32 A 32 ALA middle . . 33 A 33 ILE middle . . 34 A 34 GLN middle . . 35 A 35 GLY middle . false 36 A 36 ASP middle . . 37 A 37 GLY middle . false 38 A 38 PHE middle . . 39 A 39 LYS middle . . 40 A 40 SER middle . . 41 A 41 LEU middle . . 42 A 42 ASP middle . . 43 A 43 GLU middle . . 44 A 44 GLY middle . false 45 A 45 GLN middle . . 46 A 46 ALA middle . . 47 A 47 VAL middle . . 48 A 48 THR middle . . 49 A 49 PHE middle . . 50 A 50 ASP middle . . 51 A 51 VAL middle . . 52 A 52 GLU middle . . 53 A 53 GLU middle . . 54 A 54 GLY middle . false 55 A 55 GLN middle . . 56 A 56 ARG middle . . 57 A 57 GLY middle . false 58 A 58 PRO middle . false 59 A 59 GLN middle . . 60 A 60 ALA middle . . 61 A 61 ALA middle . . 62 A 62 ASN middle . . 63 A 63 VAL middle . . 64 A 64 GLN middle . . 65 A 65 LYS middle . . 66 A 66 ALA 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 GLU HA H 1 4.926 0.005 A 2 GLU HB2 H 1 1.674 0.004 A 2 GLU HB3 H 1 1.799 0.007 A 2 GLU HG2 H 1 1.943 0.005 A 2 GLU HG3 H 1 2.100 0.005 A 2 GLU C C 13 173.979 0.000 A 2 GLU CB C 13 26.849 0.061 A 2 GLU CG C 13 33.747 0.115 A 3 GLN H H 1 8.202 0.004 A 3 GLN HA H 1 5.150 0.007 A 3 GLN HB2 H 1 2.004 0.006 A 3 GLN HB3 H 1 2.150 0.001 A 3 GLN HE21 H 1 7.457 0.001 A 3 GLN HE22 H 1 6.746 0.012 A 3 GLN HG2 H 1 2.322 0.005 A 3 GLN HG3 H 1 2.356 0.006 A 3 GLN C C 13 175.962 0.000 A 3 GLN CA C 13 54.124 0.055 A 3 GLN CB C 13 31.938 0.043 A 3 GLN CG C 13 33.859 0.019 A 3 GLN N N 15 116.901 0.053 A 3 GLN NE2 N 15 111.597 0.005 A 4 GLY H H 1 8.629 0.007 A 4 GLY HA2 H 1 4.675 0.006 A 4 GLY HA3 H 1 4.675 0.006 A 4 GLY C C 13 172.109 0.000 A 4 GLY CA C 13 45.614 0.000 A 4 GLY N N 15 108.174 0.018 A 5 THR H H 1 8.417 0.001 A 5 THR HA H 1 5.210 0.006 A 5 THR HB H 1 3.750 0.004 A 5 THR HG2% H 1 1.060 0.007 A 5 THR C C 13 173.994 0.000 A 5 THR CA C 13 60.077 0.056 A 5 THR CB C 13 71.635 0.070 A 5 THR CG2 C 13 21.845 0.088 A 5 THR N N 15 114.528 0.029 A 6 VAL H H 1 8.908 0.007 A 6 VAL HA H 1 3.521 0.002 A 6 VAL HB H 1 2.366 0.004 A 6 VAL HG1% H 1 0.478 0.004 A 6 VAL HG2% H 1 0.884 0.006 A 6 VAL C C 13 175.620 0.000 A 6 VAL CA C 13 65.068 0.099 A 6 VAL CB C 13 31.632 0.035 A 6 VAL CG1 C 13 21.053 0.056 A 6 VAL CG2 C 13 24.680 0.027 A 6 VAL N N 15 125.816 0.036 A 7 LYS H H 1 9.260 0.010 A 7 LYS HA H 1 4.214 0.005 A 7 LYS HB2 H 1 1.638 0.004 A 7 LYS HB3 H 1 1.749 0.008 A 7 LYS HD2 H 1 2.081 0.001 A 7 LYS HE2 H 1 3.094 0.004 A 7 LYS HE3 H 1 3.094 0.004 A 7 LYS HG2 H 1 1.632 0.006 A 7 LYS HG3 H 1 1.551 0.003 A 7 LYS HZ1 H 1 6.916 0.000 A 7 LYS HZ2 H 1 6.905 0.000 A 7 LYS HZ3 H 1 6.916 0.000 A 7 LYS C C 13 175.913 0.000 A 7 LYS CA C 13 58.754 0.032 A 7 LYS CB C 13 35.092 0.193 A 7 LYS CD C 13 29.588 0.002 A 7 LYS CE C 13 42.392 0.000 A 7 LYS CG C 13 25.271 0.097 A 7 LYS N N 15 135.919 0.047 A 8 TRP H H 1 7.372 0.006 A 8 TRP HA H 1 4.567 0.004 A 8 TRP HB2 H 1 3.273 0.002 A 8 TRP HB3 H 1 3.547 0.007 A 8 TRP HE1 H 1 9.764 0.000 A 8 TRP C C 13 173.327 0.000 A 8 TRP CA C 13 55.871 0.069 A 8 TRP CB C 13 30.675 0.040 A 8 TRP N N 15 110.597 0.022 A 8 TRP NE1 N 15 127.816 0.000 A 9 PHE H H 1 9.265 0.009 A 9 PHE HA H 1 4.180 0.006 A 9 PHE HB2 H 1 2.330 0.004 A 9 PHE HB3 H 1 2.938 0.004 A 9 PHE C C 13 172.561 0.000 A 9 PHE CA C 13 59.110 0.157 A 9 PHE CB C 13 42.287 0.097 A 9 PHE N N 15 120.373 0.012 A 10 ASN H H 1 8.223 0.006 A 10 ASN HA H 1 4.933 0.005 A 10 ASN HB2 H 1 2.535 0.004 A 10 ASN HB3 H 1 2.634 0.009 A 10 ASN HD21 H 1 7.504 0.002 A 10 ASN HD22 H 1 6.783 0.001 A 10 ASN C C 13 174.373 0.000 A 10 ASN CA C 13 51.898 0.000 A 10 ASN CB C 13 38.909 0.046 A 10 ASN N N 15 127.710 0.032 A 10 ASN ND2 N 15 112.232 0.003 A 11 ALA H H 1 9.119 0.003 A 11 ALA HA H 1 4.303 0.004 A 11 ALA HB% H 1 1.658 0.003 A 11 ALA C C 13 176.087 0.000 A 11 ALA CA C 13 53.809 0.138 A 11 ALA CB C 13 18.701 0.013 A 11 ALA N N 15 129.186 0.040 A 12 GLU H H 1 8.082 0.003 A 12 GLU HA H 1 4.023 0.002 A 12 GLU HB2 H 1 2.011 0.004 A 12 GLU HB3 H 1 1.973 0.011 A 12 GLU HG2 H 1 2.340 0.009 A 12 GLU HG3 H 1 2.340 0.009 A 12 GLU C C 13 175.119 0.000 A 12 GLU CA C 13 58.448 0.023 A 12 GLU CB C 13 29.156 0.077 A 12 GLU N N 15 116.366 0.006 A 13 LYS H H 1 7.273 0.006 A 13 LYS HA H 1 4.312 0.006 A 13 LYS HB2 H 1 1.127 0.008 A 13 LYS HB3 H 1 1.935 0.003 A 13 LYS HD2 H 1 1.848 0.000 A 13 LYS HD3 H 1 1.646 0.008 A 13 LYS HE2 H 1 2.981 0.080 A 13 LYS HE3 H 1 2.981 0.080 A 13 LYS HG2 H 1 1.322 0.005 A 13 LYS HG3 H 1 1.421 0.007 A 13 LYS C C 13 177.130 0.000 A 13 LYS CA C 13 56.812 0.000 A 13 LYS CB C 13 34.614 0.103 A 13 LYS CD C 13 29.423 0.097 A 13 LYS CE C 13 42.279 0.034 A 13 LYS CG C 13 25.740 0.104 A 13 LYS N N 15 113.821 0.027 A 14 GLY H H 1 8.370 0.005 A 14 GLY HA2 H 1 3.849 0.002 A 14 GLY HA3 H 1 3.849 0.002 A 14 GLY C C 13 172.485 0.000 A 14 GLY CA C 13 46.754 0.000 A 14 GLY N N 15 105.929 0.019 A 15 PHE H H 1 6.572 0.008 A 15 PHE HA H 1 4.814 0.006 A 15 PHE HB2 H 1 2.545 0.007 A 15 PHE HB3 H 1 2.658 0.001 A 15 PHE C C 13 171.414 0.000 A 15 PHE CA C 13 53.720 0.000 A 15 PHE CB C 13 42.723 0.049 A 15 PHE N N 15 112.060 0.014 A 16 GLY H H 1 7.851 0.003 A 16 GLY HA2 H 1 3.683 0.011 A 16 GLY HA3 H 1 3.683 0.011 A 16 GLY C C 13 173.812 0.000 A 16 GLY CA C 13 44.912 0.000 A 16 GLY N N 15 105.419 0.001 A 17 PHE H H 1 7.800 0.000 A 17 PHE HA H 1 5.008 0.006 A 17 PHE HB2 H 1 2.038 0.006 A 17 PHE HB3 H 1 2.504 0.004 A 17 PHE C C 13 174.568 0.000 A 17 PHE CA C 13 56.724 0.075 A 17 PHE CB C 13 45.189 0.084 A 17 PHE N N 15 115.154 0.005 A 18 ILE H H 1 9.337 0.004 A 18 ILE HA H 1 4.061 0.009 A 18 ILE HB H 1 0.989 0.005 A 18 ILE HD1% H 1 -0.249 0.003 A 18 ILE HG12 H 1 0.244 0.007 A 18 ILE HG13 H 1 1.109 0.003 A 18 ILE HG2% H 1 0.286 0.008 A 18 ILE C C 13 174.459 0.000 A 18 ILE CA C 13 60.156 0.022 A 18 ILE CB C 13 41.379 0.071 A 18 ILE CD1 C 13 13.474 0.045 A 18 ILE CG1 C 13 27.961 0.035 A 18 ILE CG2 C 13 18.164 0.030 A 18 ILE N N 15 122.756 0.030 A 19 GLU H H 1 9.294 0.007 A 19 GLU HA H 1 4.915 0.008 A 19 GLU HB2 H 1 1.989 0.004 A 19 GLU HB3 H 1 1.989 0.004 A 19 GLU HG2 H 1 2.252 0.012 A 19 GLU C C 13 175.169 0.000 A 19 GLU CA C 13 54.980 0.116 A 19 GLU CB C 13 32.204 0.054 A 19 GLU CG C 13 36.132 0.057 A 19 GLU N N 15 126.777 0.027 A 20 ARG H H 1 9.290 0.007 A 20 ARG HA H 1 4.020 0.005 A 20 ARG HB2 H 1 2.038 0.007 A 20 ARG HB3 H 1 2.038 0.007 A 20 ARG HG2 H 1 2.485 0.000 A 20 ARG HG3 H 1 2.485 0.000 A 20 ARG C C 13 176.345 0.000 A 20 ARG CA C 13 55.406 0.024 A 20 ARG CB C 13 33.630 0.044 A 20 ARG CG C 13 31.138 0.058 A 20 ARG N N 15 123.573 0.005 A 21 GLU H H 1 9.066 0.026 A 21 GLU HA H 1 4.100 0.007 A 21 GLU HB2 H 1 2.029 0.005 A 21 GLU HB3 H 1 2.029 0.005 A 21 GLU HG2 H 1 2.366 0.007 A 21 GLU HG3 H 1 2.261 0.005 A 21 GLU C C 13 177.265 0.000 A 21 GLU CA C 13 58.795 0.038 A 21 GLU CB C 13 29.908 0.063 A 21 GLU CG C 13 36.385 0.211 A 21 GLU N N 15 121.542 0.161 A 22 ASN H H 1 8.257 0.018 A 22 ASN HA H 1 4.748 0.008 A 22 ASN HB2 H 1 2.838 0.013 A 22 ASN HB3 H 1 2.848 0.000 A 22 ASN HD21 H 1 6.854 0.003 A 22 ASN HD22 H 1 7.562 0.009 A 22 ASN C C 13 174.806 0.000 A 22 ASN CA C 13 53.129 0.000 A 22 ASN CB C 13 39.020 0.014 A 22 ASN N N 15 115.336 0.018 A 22 ASN ND2 N 15 112.052 0.007 A 23 GLY H H 1 7.866 0.003 A 23 GLY HA2 H 1 3.986 0.001 A 23 GLY HA3 H 1 3.986 0.001 A 23 GLY C C 13 172.948 0.000 A 23 GLY CA C 13 44.696 0.000 A 23 GLY N N 15 107.564 0.013 A 24 ASP H H 1 8.370 0.017 A 24 ASP HA H 1 4.628 0.002 A 24 ASP HB2 H 1 2.573 0.008 A 24 ASP HB3 H 1 2.919 0.009 A 24 ASP C C 13 175.559 0.000 A 24 ASP CA C 13 54.453 0.165 A 24 ASP CB C 13 41.544 0.094 A 24 ASP N N 15 120.038 0.004 A 25 ASP H H 1 8.698 0.005 A 25 ASP HA H 1 4.921 0.013 A 25 ASP HB2 H 1 2.813 0.003 A 25 ASP HB3 H 1 2.813 0.003 A 25 ASP C C 13 176.258 0.000 A 25 ASP CA C 13 54.973 0.000 A 25 ASP CB C 13 42.488 0.027 A 25 ASP N N 15 120.666 0.100 A 26 VAL H H 1 9.365 0.017 A 26 VAL HA H 1 4.346 0.011 A 26 VAL HB H 1 1.570 0.009 A 26 VAL HG1% H 1 0.701 0.006 A 26 VAL HG2% H 1 0.905 0.008 A 26 VAL C C 13 174.724 0.000 A 26 VAL CA C 13 60.847 0.076 A 26 VAL CB C 13 34.500 0.044 A 26 VAL CG1 C 13 22.012 0.043 A 26 VAL CG2 C 13 20.948 0.052 A 26 VAL N N 15 120.541 0.031 A 27 PHE H H 1 8.335 0.021 A 27 PHE HA H 1 3.530 0.006 A 27 PHE HB2 H 1 2.851 0.005 A 27 PHE HB3 H 1 2.573 0.004 A 27 PHE HD2 H 1 6.426 0.002 A 27 PHE C C 13 172.517 0.000 A 27 PHE CA C 13 58.978 0.042 A 27 PHE CB C 13 39.934 0.154 A 27 PHE CD2 C 13 131.070 0.000 A 27 PHE N N 15 130.752 0.031 A 28 VAL H H 1 7.411 0.010 A 28 VAL HA H 1 4.393 0.003 A 28 VAL HB H 1 1.282 0.003 A 28 VAL HG1% H 1 0.439 0.003 A 28 VAL HG2% H 1 0.299 0.005 A 28 VAL C C 13 170.556 0.000 A 28 VAL CA C 13 57.706 0.034 A 28 VAL CB C 13 34.597 0.054 A 28 VAL CG1 C 13 22.665 0.033 A 28 VAL CG2 C 13 18.073 0.040 A 28 VAL N N 15 124.530 0.026 A 29 HIS H H 1 8.561 0.009 A 29 HIS HA H 1 4.559 0.004 A 29 HIS HB2 H 1 2.646 0.002 A 29 HIS HB3 H 1 3.044 0.005 A 29 HIS C C 13 177.582 0.000 A 29 HIS CA C 13 55.739 0.111 A 29 HIS CB C 13 33.542 0.043 A 29 HIS N N 15 127.448 0.020 A 30 PHE H H 1 7.970 0.003 A 30 PHE HA H 1 3.862 0.000 A 30 PHE HB2 H 1 2.670 0.005 A 30 PHE HB3 H 1 2.940 0.008 A 30 PHE HD1 H 1 6.813 0.008 A 30 PHE CA C 13 59.990 0.000 A 30 PHE CB C 13 36.480 0.028 A 30 PHE CD1 C 13 131.774 0.000 A 30 PHE N N 15 122.691 0.021 A 31 SER H H 1 7.623 0.019 A 31 SER HA H 1 3.858 0.004 A 31 SER HB2 H 1 3.790 0.004 A 31 SER HB3 H 1 3.790 0.004 A 31 SER C C 13 175.382 0.000 A 31 SER CA C 13 59.761 0.039 A 31 SER CB C 13 62.630 0.000 A 31 SER N N 15 118.356 0.000 A 32 ALA H H 1 7.902 0.003 A 32 ALA HA H 1 4.405 0.005 A 32 ALA HB% H 1 1.513 0.008 A 32 ALA C C 13 177.706 0.000 A 32 ALA CA C 13 52.384 0.108 A 32 ALA CB C 13 21.173 0.050 A 32 ALA N N 15 124.536 0.047 A 33 ILE H H 1 7.595 0.006 A 33 ILE HA H 1 3.841 0.006 A 33 ILE HB H 1 1.773 0.006 A 33 ILE HD1% H 1 0.246 0.006 A 33 ILE HG12 H 1 1.478 0.006 A 33 ILE HG13 H 1 0.206 0.011 A 33 ILE HG2% H 1 0.714 0.004 A 33 ILE C C 13 175.517 0.000 A 33 ILE CA C 13 62.252 0.066 A 33 ILE CB C 13 37.984 0.024 A 33 ILE CD1 C 13 14.218 0.049 A 33 ILE CG1 C 13 27.922 0.048 A 33 ILE CG2 C 13 16.624 0.041 A 33 ILE N N 15 121.051 0.011 A 34 GLN H H 1 8.714 0.003 A 34 GLN HA H 1 4.255 0.008 A 34 GLN HB2 H 1 1.898 0.004 A 34 GLN HB3 H 1 2.077 0.007 A 34 GLN HE21 H 1 8.074 0.008 A 34 GLN HE22 H 1 6.921 0.009 A 34 GLN HG2 H 1 2.274 0.005 A 34 GLN HG3 H 1 2.274 0.005 A 34 GLN C C 13 176.167 0.000 A 34 GLN CA C 13 55.872 0.198 A 34 GLN CB C 13 29.510 0.096 A 34 GLN CG C 13 34.079 0.070 A 34 GLN N N 15 126.803 0.013 A 34 GLN NE2 N 15 113.639 0.111 A 35 GLY H H 1 8.411 0.005 A 35 GLY HA2 H 1 3.752 0.000 A 35 GLY HA3 H 1 3.752 0.000 A 35 GLY C C 13 172.763 0.000 A 35 GLY CA C 13 44.838 0.000 A 35 GLY N N 15 110.928 0.008 A 36 ASP H H 1 8.319 0.001 A 36 ASP HA H 1 4.799 0.014 A 36 ASP HB2 H 1 2.547 0.003 A 36 ASP HB3 H 1 2.658 0.006 A 36 ASP C C 13 176.584 0.000 A 36 ASP CA C 13 53.957 0.000 A 36 ASP CB C 13 42.297 0.087 A 36 ASP N N 15 119.994 0.030 A 37 GLY H H 1 8.390 0.001 A 37 GLY HA2 H 1 3.832 0.002 A 37 GLY HA3 H 1 3.832 0.002 A 37 GLY C C 13 176.528 0.000 A 37 GLY CA C 13 44.676 0.019 A 37 GLY N N 15 108.688 0.003 A 38 PHE H H 1 8.423 0.000 A 38 PHE HA H 1 4.767 0.009 A 38 PHE C C 13 175.402 0.000 A 38 PHE CA C 13 59.992 0.000 A 38 PHE CB C 13 39.043 0.000 A 38 PHE N N 15 122.793 0.003 A 39 LYS H H 1 8.592 0.002 A 39 LYS HA H 1 4.333 0.024 A 39 LYS HB2 H 1 1.408 0.006 A 39 LYS HB3 H 1 1.861 0.019 A 39 LYS HD2 H 1 1.813 0.004 A 39 LYS HD3 H 1 1.638 0.008 A 39 LYS HE2 H 1 3.053 0.001 A 39 LYS HE3 H 1 3.053 0.001 A 39 LYS C C 13 169.990 0.000 A 39 LYS CA C 13 55.478 0.000 A 39 LYS CB C 13 32.335 0.053 A 39 LYS CD C 13 29.380 0.039 A 39 LYS N N 15 123.349 0.006 A 40 SER H H 1 7.444 0.003 A 40 SER HA H 1 3.673 0.010 A 40 SER HB2 H 1 3.508 0.008 A 40 SER HB3 H 1 3.640 0.005 A 40 SER CA C 13 57.015 0.000 A 40 SER CB C 13 64.589 0.071 A 40 SER N N 15 113.941 0.010 A 41 LEU H H 1 5.598 0.003 A 41 LEU HA H 1 4.394 0.003 A 41 LEU HB2 H 1 1.089 0.002 A 41 LEU HB3 H 1 0.387 0.113 A 41 LEU HD1% H 1 0.245 0.006 A 41 LEU HD2% H 1 0.503 0.007 A 41 LEU HG H 1 0.754 0.006 A 41 LEU C C 13 173.917 0.000 A 41 LEU CA C 13 52.414 0.046 A 41 LEU CB C 13 46.815 0.035 A 41 LEU CD1 C 13 25.655 0.072 A 41 LEU CD2 C 13 22.947 0.037 A 41 LEU CG C 13 25.984 0.096 A 41 LEU N N 15 117.107 0.040 A 42 ASP H H 1 8.156 0.005 A 42 ASP HA H 1 4.894 0.003 A 42 ASP HB2 H 1 2.320 0.002 A 42 ASP HB3 H 1 2.617 0.018 A 42 ASP C C 13 175.559 0.000 A 42 ASP CA C 13 52.777 0.000 A 42 ASP CB C 13 42.970 0.066 A 42 ASP N N 15 118.896 0.044 A 43 GLU H H 1 8.689 0.005 A 43 GLU HA H 1 3.518 0.004 A 43 GLU HB2 H 1 2.014 0.004 A 43 GLU HB3 H 1 2.184 0.007 A 43 GLU HG2 H 1 2.558 0.004 A 43 GLU HG3 H 1 2.241 0.010 A 43 GLU C C 13 177.211 0.000 A 43 GLU CA C 13 58.444 0.067 A 43 GLU CB C 13 29.531 0.117 A 43 GLU CG C 13 35.915 0.057 A 43 GLU N N 15 121.023 0.241 A 44 GLY H H 1 8.971 0.007 A 44 GLY HA2 H 1 4.302 0.002 A 44 GLY HA3 H 1 4.302 0.002 A 44 GLY C C 13 173.870 0.000 A 44 GLY CA C 13 45.194 0.102 A 44 GLY N N 15 113.916 0.041 A 45 GLN H H 1 7.634 0.005 A 45 GLN HA H 1 4.177 0.004 A 45 GLN HB2 H 1 1.998 0.006 A 45 GLN HB3 H 1 2.208 0.004 A 45 GLN HE21 H 1 7.496 0.001 A 45 GLN HE22 H 1 6.693 0.001 A 45 GLN HG2 H 1 2.300 0.006 A 45 GLN HG3 H 1 2.300 0.006 A 45 GLN C C 13 175.454 0.000 A 45 GLN CA C 13 56.105 0.163 A 45 GLN CB C 13 30.398 0.156 A 45 GLN CG C 13 33.671 0.091 A 45 GLN N N 15 120.533 0.028 A 45 GLN NE2 N 15 111.665 0.010 A 46 ALA H H 1 8.894 0.002 A 46 ALA HA H 1 4.933 0.008 A 46 ALA HB% H 1 1.499 0.005 A 46 ALA C C 13 178.148 0.000 A 46 ALA CA C 13 52.206 0.091 A 46 ALA CB C 13 18.983 0.026 A 46 ALA N N 15 130.118 0.037 A 47 VAL H H 1 8.591 0.008 A 47 VAL HA H 1 5.408 0.004 A 47 VAL HB H 1 2.128 0.007 A 47 VAL HG1% H 1 0.612 0.008 A 47 VAL HG2% H 1 0.509 0.006 A 47 VAL C C 13 175.654 0.000 A 47 VAL CA C 13 58.872 0.055 A 47 VAL CB C 13 37.129 0.083 A 47 VAL CG1 C 13 23.557 0.026 A 47 VAL CG2 C 13 18.617 0.033 A 47 VAL N N 15 114.581 0.022 A 48 THR H H 1 8.943 0.005 A 48 THR HA H 1 5.398 0.007 A 48 THR HB H 1 4.085 0.003 A 48 THR HG2% H 1 1.076 0.010 A 48 THR C C 13 177.527 0.000 A 48 THR CA C 13 60.253 0.047 A 48 THR CB C 13 71.323 0.046 A 48 THR CG2 C 13 21.468 0.016 A 48 THR N N 15 113.346 0.033 A 49 PHE H H 1 8.214 0.007 A 49 PHE HA H 1 5.003 0.005 A 49 PHE HB2 H 1 3.013 0.008 A 49 PHE HB3 H 1 3.208 0.005 A 49 PHE HD1 H 1 6.712 0.003 A 49 PHE C C 13 171.900 0.000 A 49 PHE CA C 13 56.589 0.072 A 49 PHE CB C 13 39.741 0.091 A 49 PHE CD1 C 13 132.259 0.011 A 49 PHE N N 15 116.531 0.019 A 50 ASP H H 1 8.862 0.008 A 50 ASP HA H 1 5.167 0.012 A 50 ASP HB2 H 1 2.378 0.020 A 50 ASP HB3 H 1 2.675 0.003 A 50 ASP C C 13 175.559 0.000 A 50 ASP CA C 13 53.971 0.000 A 50 ASP CB C 13 43.986 0.042 A 50 ASP N N 15 118.134 0.023 A 51 VAL H H 1 8.700 0.008 A 51 VAL HA H 1 4.770 0.019 A 51 VAL HB H 1 1.934 0.004 A 51 VAL HG1% H 1 0.995 0.002 A 51 VAL HG2% H 1 0.878 0.007 A 51 VAL C C 13 175.378 0.000 A 51 VAL CA C 13 62.046 0.000 A 51 VAL CB C 13 33.854 0.029 A 51 VAL CG1 C 13 23.172 0.046 A 51 VAL CG2 C 13 21.862 0.064 A 51 VAL N N 15 120.815 0.207 A 52 GLU H H 1 9.062 0.014 A 52 GLU HA H 1 4.780 0.015 A 52 GLU HB2 H 1 1.836 0.001 A 52 GLU HB3 H 1 1.976 0.005 A 52 GLU HG2 H 1 2.032 0.004 A 52 GLU HG3 H 1 2.111 0.014 A 52 GLU C C 13 175.436 0.000 A 52 GLU CA C 13 54.133 0.000 A 52 GLU CB C 13 32.295 0.025 A 52 GLU CG C 13 33.634 0.050 A 52 GLU N N 15 127.575 0.058 A 53 GLU H H 1 8.808 0.012 A 53 GLU HA H 1 4.260 0.007 A 53 GLU HB2 H 1 1.897 0.007 A 53 GLU HB3 H 1 1.982 0.003 A 53 GLU HG2 H 1 2.243 0.008 A 53 GLU HG3 H 1 2.190 0.009 A 53 GLU C C 13 176.436 0.000 A 53 GLU CA C 13 56.417 0.118 A 53 GLU CB C 13 29.392 0.015 A 53 GLU CG C 13 35.741 0.055 A 53 GLU N N 15 124.119 0.042 A 54 GLY H H 1 7.822 0.003 A 54 GLY HA2 H 1 4.358 0.011 A 54 GLY HA3 H 1 4.358 0.011 A 54 GLY C C 13 175.559 0.000 A 54 GLY CA C 13 44.527 0.061 A 54 GLY N N 15 113.794 0.017 A 55 GLN H H 1 8.685 0.024 A 55 GLN HA H 1 4.757 0.040 A 55 GLN HB2 H 1 1.970 0.009 A 55 GLN HB3 H 1 1.995 0.004 A 55 GLN HE21 H 1 7.182 0.003 A 55 GLN HE22 H 1 6.898 0.007 A 55 GLN HG2 H 1 2.359 0.007 A 55 GLN HG3 H 1 2.359 0.007 A 55 GLN C C 13 177.419 0.000 A 55 GLN CA C 13 58.624 0.000 A 55 GLN CB C 13 29.233 0.078 A 55 GLN CG C 13 33.939 0.001 A 55 GLN N N 15 121.059 0.095 A 55 GLN NE2 N 15 113.217 0.002 A 56 ARG H H 1 8.491 0.002 A 56 ARG HA H 1 4.426 0.002 A 56 ARG HB2 H 1 1.296 0.003 A 56 ARG HB3 H 1 1.777 0.003 A 56 ARG HG2 H 1 1.367 0.001 A 56 ARG HG3 H 1 1.367 0.001 A 56 ARG C C 13 175.110 0.000 A 56 ARG CA C 13 54.836 0.065 A 56 ARG CB C 13 30.092 0.034 A 56 ARG CG C 13 26.730 0.035 A 56 ARG N N 15 116.444 0.021 A 57 GLY H H 1 7.316 0.004 A 57 GLY HA2 H 1 4.490 0.004 A 57 GLY HA3 H 1 4.490 0.004 A 57 GLY CA C 13 44.201 0.060 A 57 GLY N N 15 107.667 0.022 A 58 PRO HA H 1 4.810 0.007 A 58 PRO HB2 H 1 1.847 0.004 A 58 PRO HB3 H 1 2.283 0.010 A 58 PRO HD2 H 1 3.863 0.005 A 58 PRO HD3 H 1 3.740 0.005 A 58 PRO HG2 H 1 2.085 0.005 A 58 PRO HG3 H 1 2.308 0.004 A 58 PRO C C 13 176.345 0.000 A 58 PRO CA C 13 63.118 0.000 A 58 PRO CB C 13 32.517 0.065 A 58 PRO CD C 13 49.705 0.071 A 58 PRO CG C 13 27.506 0.047 A 59 GLN H H 1 9.086 0.012 A 59 GLN HA H 1 5.160 0.008 A 59 GLN HB2 H 1 2.096 0.009 A 59 GLN HB3 H 1 2.202 0.005 A 59 GLN HE21 H 1 7.760 0.000 A 59 GLN HE22 H 1 7.378 0.000 A 59 GLN HG2 H 1 2.319 0.001 A 59 GLN HG3 H 1 2.319 0.001 A 59 GLN C C 13 173.910 0.000 A 59 GLN CA C 13 54.284 0.115 A 59 GLN CB C 13 32.688 0.076 A 59 GLN CG C 13 33.892 0.002 A 59 GLN N N 15 121.136 0.028 A 59 GLN NE2 N 15 113.023 0.000 A 60 ALA H H 1 8.796 0.006 A 60 ALA HA H 1 4.878 0.013 A 60 ALA HB% H 1 0.816 0.005 A 60 ALA C C 13 176.210 0.000 A 60 ALA CA C 13 51.216 0.163 A 60 ALA CB C 13 20.271 0.043 A 60 ALA N N 15 123.241 0.035 A 61 ALA H H 1 9.165 0.008 A 61 ALA HA H 1 4.670 0.012 A 61 ALA HB% H 1 1.299 0.005 A 61 ALA C C 13 175.840 0.000 A 61 ALA CA C 13 50.868 0.000 A 61 ALA CB C 13 23.063 0.046 A 61 ALA N N 15 123.741 0.026 A 62 ASN H H 1 9.288 0.003 A 62 ASN HA H 1 4.250 0.008 A 62 ASN HB2 H 1 2.771 0.008 A 62 ASN HB3 H 1 2.920 0.014 A 62 ASN HD21 H 1 8.078 0.000 A 62 ASN HD22 H 1 6.785 0.000 A 62 ASN C C 13 178.093 0.000 A 62 ASN CA C 13 53.967 0.136 A 62 ASN CB C 13 37.229 0.047 A 62 ASN N N 15 118.727 0.011 A 62 ASN ND2 N 15 114.981 0.000 A 63 VAL H H 1 8.129 0.010 A 63 VAL HA H 1 4.383 0.003 A 63 VAL HB H 1 1.718 0.003 A 63 VAL HG1% H 1 0.611 0.006 A 63 VAL HG2% H 1 0.571 0.003 A 63 VAL C C 13 175.378 0.000 A 63 VAL CA C 13 63.116 0.091 A 63 VAL CB C 13 31.509 0.069 A 63 VAL CG1 C 13 21.476 0.080 A 63 VAL CG2 C 13 22.756 0.074 A 63 VAL N N 15 116.869 0.020 A 64 GLN H H 1 9.104 0.005 A 64 GLN HA H 1 4.777 0.007 A 64 GLN HB2 H 1 1.836 0.007 A 64 GLN HB3 H 1 1.982 0.005 A 64 GLN HE21 H 1 7.520 0.005 A 64 GLN HE22 H 1 6.953 0.001 A 64 GLN HG2 H 1 2.230 0.005 A 64 GLN HG3 H 1 2.110 0.000 A 64 GLN CA C 13 54.133 0.000 A 64 GLN CB C 13 32.174 0.073 A 64 GLN CG C 13 33.899 0.044 A 64 GLN N N 15 127.534 0.017 A 64 GLN NE2 N 15 112.440 0.118 A 65 LYS H H 1 8.637 0.048 A 65 LYS HA H 1 4.295 0.002 A 65 LYS HB2 H 1 1.855 0.006 A 65 LYS HB3 H 1 1.710 0.005 A 65 LYS HD2 H 1 1.675 0.002 A 65 LYS HD3 H 1 1.865 0.008 A 65 LYS HE2 H 1 2.944 0.014 A 65 LYS HE3 H 1 2.944 0.014 A 65 LYS HG2 H 1 1.431 0.015 A 65 LYS HG3 H 1 1.114 0.004 A 65 LYS C C 13 175.520 0.000 A 65 LYS CA C 13 57.760 0.101 A 65 LYS CB C 13 32.714 0.064 A 65 LYS CD C 13 29.575 0.070 A 65 LYS CE C 13 43.049 0.068 A 65 LYS CG C 13 25.859 0.072 A 65 LYS N N 15 122.593 0.027 A 66 ALA H H 1 8.116 0.004 A 66 ALA HA H 1 4.196 0.002 A 66 ALA HB% H 1 1.210 0.003 A 66 ALA CA C 13 53.098 0.027 A 66 ALA CB C 13 20.648 0.048 A 66 ALA N N 15 133.816 0.031 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 47 VAL HA A 66 ALA HB% 1.0 . 3.67 2 2 A 47 VAL HA A 65 LYS HA 1.0 . 3.43 3 3 A 65 LYS HA A 65 LYS HG2 1.0 . 3.62 4 4 A 65 LYS HA A 65 LYS HG3 1.0 . 3.87 5 5 A 49 PHE HA A 63 VAL HA 1.0 . 3.82 6 6 A 63 VAL HA A 50 ASP H 1.0 . 4.06 7 7 A 63 VAL HA A 63 VAL HG1% 1.0 . 3.35 8 8 A 63 VAL HA A 49 PHE HB2 1.0 . 4.04 9 9 A 63 VAL HA A 63 VAL HG2% 1.0 . 3.35 10 10 A 49 PHE HB3 A 63 VAL HG2% 1.0 . 4.57 11 11 A 62 ASN H A 62 ASN HB3 1.0 . 4.15 12 12 A 63 VAL H A 62 ASN HB3 1.0 . 4.51 13 13 A 61 ALA HB% A 62 ASN HD22 1.0 . 4.08 14 14 A 49 PHE HD1 A 60 ALA HB% 1.0 . 3.76 15 15 A 60 ALA HB% A 28 VAL HA 1.0 . 3.64 16 16 A 60 ALA HB% A 28 VAL HB 1.0 . 3.30 17 17 A 60 ALA HB% A 28 VAL HG2% 1.0 . 3.62 18 18 A 33 ILE HA A 33 ILE HG12 1.0 . 4.06 19 19 A 33 ILE HA A 63 VAL HG1% 1.0 . 4.42 20 20 A 33 ILE HA A 33 ILE HG13 1.0 . 4.06 21 21 A 56 ARG HA A 56 ARG HG2 1.0 . 3.47 22 21 A 56 ARG HA A 56 ARG HG3 1.0 . 3.47 23 22 A 51 VAL HA A 51 VAL HG1% 1.0 . 3.29 24 23 A 51 VAL HA A 51 VAL HG2% 1.0 . 3.29 25 24 A 49 PHE HB3 A 49 PHE HD1 1.0 . 3.72 26 25 A 49 PHE HB2 A 60 ALA HB% 1.0 . 3.99 27 26 A 49 PHE HD1 A 48 THR HA 1.0 . 4.33 28 27 A 48 THR HA A 48 THR HG2% 1.0 . 3.35 29 28 A 3 GLN H A 48 THR HB 1.0 . 4.23 30 29 A 47 VAL HA A 47 VAL HG1% 1.0 . 3.17 31 30 A 47 VAL HG1% A 34 GLN HG2 1.0 . 3.96 32 30 A 47 VAL HG1% A 34 GLN HG3 1.0 . 3.96 33 31 A 65 LYS HA A 47 VAL HG1% 1.0 . 3.43 34 32 A 47 VAL HG1% A 6 VAL HG2% 1.0 . 3.11 35 33 A 45 GLN HA A 45 GLN HG2 1.0 . 3.80 36 33 A 45 GLN HA A 45 GLN HG3 1.0 . 3.80 37 34 A 34 GLN HE22 A 45 GLN HG2 1.0 . 3.75 38 34 A 45 GLN HG3 A 34 GLN HE22 1.0 . 3.75 39 35 A 6 VAL HB A 43 GLU HA 1.0 . 3.75 40 36 A 43 GLU HA A 6 VAL HG1% 1.0 . 3.31 41 37 A 43 GLU HA A 43 GLU HG2 1.0 . 4.05 42 38 A 43 GLU HA A 43 GLU HG3 1.0 . 4.05 43 39 A 43 GLU H A 42 ASP HB3 1.0 . 4.25 44 40 A 43 GLU H A 42 ASP HB2 1.0 . 4.25 45 41 A 6 VAL HG2% A 41 LEU HB2 1.0 . 4.15 46 42 A 41 LEU HA A 41 LEU HD2% 1.0 . 4.41 47 43 A 41 LEU HA A 41 LEU HG 1.0 . 3.87 48 44 A 33 ILE HG2% A 33 ILE HD1% 1.0 . 3.09 49 45 A 33 ILE HD1% A 33 ILE HB 1.0 . 3.78 50 46 A 33 ILE HG2% A 33 ILE HG12 1.0 . 4.00 51 47 A 33 ILE HA A 33 ILE HG2% 1.0 . 3.51 52 48 A 32 ALA HB% A 61 ALA HA 1.0 . 3.99 53 49 A 32 ALA HB% A 33 ILE H 1.0 . 3.90 54 50 A 34 GLN HA A 34 GLN HG2 1.0 . 3.52 55 50 A 34 GLN HG3 A 34 GLN HA 1.0 . 3.52 56 51 A 34 GLN HB2 A 34 GLN HG2 1.0 . 2.84 57 51 A 34 GLN HG3 A 34 GLN HB2 1.0 . 2.84 58 52 A 33 ILE HD1% A 30 PHE HA 1.0 . 3.24 59 53 A 28 VAL HA A 28 VAL HG1% 1.0 . 3.76 60 54 A 28 VAL HA A 28 VAL HG2% 1.0 . 3.33 61 55 A 28 VAL HG2% A 32 ALA HB% 1.0 . 3.52 62 56 A 18 ILE HA A 18 ILE HG2% 1.0 . 3.25 63 57 A 26 VAL HA A 26 VAL HG1% 1.0 . 3.44 64 58 A 26 VAL HA A 26 VAL HG2% 1.0 . 3.42 65 59 A 18 ILE H A 26 VAL HB 1.0 . 3.56 66 60 A 52 GLU H A 52 GLU HB3 1.0 . 3.67 67 61 A 18 ILE HA A 6 VAL HA 1.0 . 3.33 68 62 A 18 ILE HA A 18 ILE HG13 1.0 . 4.12 69 63 A 26 VAL HB A 18 ILE HB 1.0 . 3.55 70 64 A 18 ILE HA A 18 ILE HG12 1.0 . 4.22 71 65 A 6 VAL HG1% A 18 ILE HG12 1.0 . 4.05 72 66 A 33 ILE HG2% A 18 ILE HG12 1.0 . 5.14 73 67 A 12 GLU HA A 12 GLU HG2 1.0 . 4.01 74 67 A 12 GLU HA A 12 GLU HG3 1.0 . 4.01 75 68 A 6 VAL HA A 18 ILE HG12 1.0 . 3.85 76 69 A 6 VAL HG1% A 6 VAL HA 1.0 . 3.27 77 70 A 6 VAL HG2% A 6 VAL HA 1.0 . 3.36 78 71 A 6 VAL HG2% A 45 GLN HB3 1.0 . 3.79 79 72 A 6 VAL HG2% A 18 ILE HG13 1.0 . 3.43 80 73 A 6 VAL HG2% A 18 ILE HG12 1.0 . 3.38 81 74 A 6 VAL HG2% A 47 VAL HG2% 1.0 . 3.28 82 75 A 5 THR HA A 46 ALA HA 1.0 . 3.14 83 76 A 47 VAL HG2% A 5 THR HA 1.0 . 3.97 84 77 A 6 VAL HG2% A 5 THR HA 1.0 . 4.08 85 78 A 5 THR HA A 46 ALA HB% 1.0 . 4.03 86 79 A 18 ILE HG12 A 47 VAL HG2% 1.0 . 3.79 87 80 A 49 PHE HD1 A 47 VAL HG2% 1.0 . 3.28 88 81 A 47 VAL HA A 47 VAL HG2% 1.0 . 4.16 89 82 A 48 THR HA A 47 VAL HG2% 1.0 . 4.66 90 83 A 7 LYS HA A 7 LYS HG2 1.0 . 4.17 91 84 A 7 LYS H A 7 LYS HB3 1.0 . 3.82 92 85 A 7 LYS HB3 A 19 GLU HB3 1.0 . 5.06 93 86 A 19 GLU HB3 A 7 LYS HB2 1.0 . 4.16 94 87 A 50 ASP HB3 A 51 VAL H 1.0 . 4.10 95 88 A 50 ASP H A 50 ASP HB3 1.0 . 3.85 96 89 A 61 ALA HB% A 50 ASP HB3 1.0 . 4.08 97 90 A 61 ALA HB% A 50 ASP HB2 1.0 . 4.17 98 91 A 13 LYS HA A 13 LYS HG2 1.0 . 3.94 99 92 A 65 LYS HG2 A 66 ALA H 1.0 . 4.65 100 93 A 7 LYS HE3 A 7 LYS HG2 1.0 . 4.08 101 93 A 7 LYS HG2 A 7 LYS HE2 1.0 . 4.08 102 94 A 65 LYS HG3 A 65 LYS HE2 1.0 . 3.82 103 94 A 65 LYS HG3 A 65 LYS HE3 1.0 . 3.82 104 95 A 53 GLU HA A 58 PRO HA 1.0 . 3.12 105 96 A 19 GLU HB3 A 5 THR HB 1.0 . 5.42 106 97 A 5 THR HA A 5 THR HG2% 1.0 . 3.30 107 98 A 46 ALA HA A 5 THR HG2% 1.0 . 3.51 108 99 A 46 ALA HB% A 5 THR HG2% 1.0 . 3.85 109 100 A 66 ALA HB% A 48 THR HG2% 1.0 . 2.91 110 101 A 6 VAL HG1% A 8 TRP HA 1.0 . 4.24 111 102 A 6 VAL HG1% A 42 ASP H 1.0 . 4.83 112 103 A 6 VAL HG1% A 33 ILE HG2% 1.0 . 4.84 113 104 A 7 LYS HA A 8 TRP HA 1.0 . 4.73 114 105 A 15 PHE H A 10 ASN HB3 1.0 . 4.26 115 106 A 11 ALA HB% A 12 GLU HB2 1.0 . 4.56 116 107 A 11 ALA HB% A 12 GLU HG2 1.0 . 4.07 117 107 A 12 GLU HG3 A 11 ALA HB% 1.0 . 4.07 118 108 A 13 LYS H A 13 LYS HG2 1.0 . 4.23 119 109 A 18 ILE H A 17 PHE HB2 1.0 . 4.35 120 110 A 17 PHE HA A 27 PHE HA 1.0 . 4.21 121 111 A 28 VAL HG1% A 17 PHE HA 1.0 . 4.24 122 112 A 6 VAL HG1% A 18 ILE HA 1.0 . 4.30 123 113 A 26 VAL HG1% A 18 ILE HB 1.0 . 4.51 124 114 A 18 ILE HG2% A 6 VAL HA 1.0 . 4.36 125 115 A 28 VAL HG1% A 27 PHE HA 1.0 . 4.96 126 116 A 28 VAL HG1% A 18 ILE HG13 1.0 . 4.21 127 117 A 18 ILE HG2% A 19 GLU HA 1.0 . 4.03 128 118 A 21 GLU HA A 21 GLU HG3 1.0 . 4.19 129 119 A 21 GLU HA A 22 ASN HA 1.0 . 4.69 130 120 A 21 GLU HA A 21 GLU HG2 1.0 . 4.19 131 121 A 43 GLU HA A 8 TRP HA 1.0 . 4.29 132 122 A 49 PHE HD1 A 28 VAL HG2% 1.0 . 4.14 133 123 A 6 VAL HG1% A 33 ILE HD1% 1.0 . 4.22 134 124 A 33 ILE HG2% A 34 GLN HA 1.0 . 4.72 135 125 A 53 GLU HA A 57 GLY HA2 1.0 . 4.64 136 125 A 53 GLU HA A 57 GLY HA3 1.0 . 4.64 137 126 A 33 ILE HA A 34 GLN HA 1.0 . 4.54 138 127 A 34 GLN HG3 A 65 LYS HE2 1.0 . 4.65 139 127 A 34 GLN HG2 A 65 LYS HE2 1.0 . 4.65 140 127 A 65 LYS HE3 A 34 GLN HG2 1.0 . 4.65 141 127 A 34 GLN HG3 A 65 LYS HE3 1.0 . 4.65 142 128 A 6 VAL HA A 8 TRP H 1.0 . 4.68 143 129 A 41 LEU HA A 41 LEU HD1% 1.0 . 4.41 144 130 A 5 THR HG2% A 44 GLY HA2 1.0 . 4.10 145 130 A 5 THR HG2% A 44 GLY HA3 1.0 . 4.10 146 131 A 47 VAL HG1% A 45 GLN HG2 1.0 . 3.87 147 131 A 47 VAL HG1% A 45 GLN HG3 1.0 . 3.87 148 132 A 45 GLN HA A 46 ALA HB% 1.0 . 4.00 149 133 A 47 VAL HA A 46 ALA HB% 1.0 . 4.09 150 134 A 49 PHE HD1 A 47 VAL HB 1.0 . 5.14 151 135 A 47 VAL HG1% A 41 LEU HG 1.0 . 3.23 152 136 A 47 VAL HG2% A 46 ALA HA 1.0 . 4.06 153 137 A 27 PHE HDx A 59 GLN HA 1.0 . 4.63 154 138 A 59 GLN HA A 27 PHE HB3 1.0 . 3.96 155 139 A 26 VAL HG1% A 59 GLN HA 1.0 . 4.54 156 140 A 65 LYS H A 65 LYS HB3 1.0 . 4.03 157 141 A 58 PRO HA A 54 GLY HA2 1.0 . 5.13 158 141 A 58 PRO HA A 54 GLY HA3 1.0 . 5.13 159 142 A 53 GLU H A 54 GLY HA2 1.0 . 5.24 160 142 A 54 GLY HA3 A 53 GLU H 1.0 . 5.24 161 143 A 26 VAL HG2% A 58 PRO HG2 1.0 . 4.83 162 144 A 26 VAL HG2% A 58 PRO HG3 1.0 . 4.83 163 145 A 61 ALA HB% A 52 GLU HB2 1.0 . 4.17 164 146 A 63 VAL HA A 62 ASN HA 1.0 . 4.58 165 147 A 63 VAL HA A 49 PHE HB3 1.0 . 3.72 166 148 A 49 PHE HD1 A 63 VAL HG2% 1.0 . 4.45 167 149 A 18 ILE HG2% A 18 ILE HD1% 1.0 . 2.87 168 150 A 47 VAL HG2% A 18 ILE HD1% 1.0 . 3.26 169 151 A 60 ALA HB% A 18 ILE HD1% 1.0 . 4.18 170 152 A 18 ILE HB A 18 ILE HD1% 1.0 . 3.37 171 153 A 28 VAL HB A 18 ILE HD1% 1.0 . 3.87 172 154 A 26 VAL HB A 18 ILE HD1% 1.0 . 4.52 173 155 A 52 GLU HA A 52 GLU HG2 1.0 . 4.01 174 156 A 13 LYS HB2 A 13 LYS HE2 1.0 . 4.45 175 156 A 13 LYS HB2 A 13 LYS HE3 1.0 . 4.45 176 157 A 49 PHE HA A 49 PHE HD1 1.0 . 4.42 177 158 A 18 ILE H A 18 ILE HG12 1.0 . 4.46 178 159 A 26 VAL HA A 27 PHE HB3 1.0 . 4.99 179 160 A 26 VAL HA A 25 ASP H 1.0 . 4.86 180 161 A 30 PHE HA A 30 PHE HD1 1.0 . 4.48 181 162 A 41 LEU HA A 33 ILE HB 1.0 . 4.62 182 163 A 33 ILE HD1% A 33 ILE H 1.0 . 3.96 183 164 A 63 VAL HB A 34 GLN HG2 1.0 . 5.10 184 164 A 34 GLN HG3 A 63 VAL HB 1.0 . 5.10 185 165 A 41 LEU H A 40 SER HB2 1.0 . 4.45 186 166 A 47 VAL HA A 34 GLN HG2 1.0 . 5.12 187 166 A 47 VAL HA A 34 GLN HG3 1.0 . 5.12 188 167 A 47 VAL HA A 45 GLN HG2 1.0 . 5.50 189 167 A 47 VAL HA A 45 GLN HG3 1.0 . 5.50 190 168 A 50 ASP HB3 A 61 ALA H 1.0 . 5.09 191 169 A 10 ASN HD21 A 13 LYS HB3 1.0 . 4.10 192 170 A 63 VAL HA A 33 ILE HA 1.0 . 5.34 193 171 A 60 ALA HB% A 59 GLN HA 1.0 . 4.41 194 172 A 49 PHE HB3 A 60 ALA HB% 1.0 . 4.45 195 173 A 50 ASP H A 62 ASN HB3 1.0 . 4.54 196 174 A 49 PHE HB3 A 63 VAL HG1% 1.0 . 4.57 197 175 A 49 PHE HD1 A 63 VAL HG1% 1.0 . 4.45 198 176 A 48 THR HG2% A 66 ALA HA 1.0 . 4.46 199 177 A 65 LYS HA A 47 VAL HB 1.0 . 4.36 200 178 A 33 ILE HG2% A 33 ILE HG13 1.0 . 4.00 201 179 A 30 PHE HA A 33 ILE HG13 1.0 . 4.24 202 180 A 52 GLU HA A 52 GLU HG3 1.0 . 4.01 203 181 A 7 LYS HA A 7 LYS HG3 1.0 . 4.17 204 182 A 7 LYS HE3 A 7 LYS HG3 1.0 . 4.08 205 182 A 7 LYS HE2 A 7 LYS HG3 1.0 . 4.08 206 183 A 19 GLU H A 7 LYS HG3 1.0 . 4.42 207 184 A 13 LYS HA A 13 LYS HG3 1.0 . 3.94 208 185 A 33 ILE HA A 63 VAL HB 1.0 . 3.63 209 186 A 56 ARG H A 56 ARG HG2 1.0 . 4.13 210 186 A 56 ARG HG3 A 56 ARG H 1.0 . 4.13 211 187 A 5 THR HB A 44 GLY HA2 1.0 . 4.50 212 187 A 5 THR HB A 44 GLY HA3 1.0 . 4.50 213 188 A 6 VAL HG1% A 7 LYS H 1.0 . 3.24 214 189 A 6 VAL HG1% A 44 GLY H 1.0 . 3.88 215 190 A 6 VAL HG2% A 47 VAL HB 1.0 . 4.89 216 191 A 13 LYS H A 11 ALA HA 1.0 . 4.72 217 192 A 13 LYS HB2 A 10 ASN HD21 1.0 . 4.61 218 193 A 18 ILE HA A 7 LYS HB3 1.0 . 5.50 219 194 A 18 ILE HG2% A 26 VAL HB 1.0 . 4.82 220 195 A 28 VAL HG1% A 26 VAL HB 1.0 . 5.25 221 196 A 43 GLU HA A 9 PHE H 1.0 . 5.05 222 197 A 59 GLN HA A 27 PHE HB2 1.0 . 5.43 223 198 A 26 VAL HA A 27 PHE HB2 1.0 . 4.52 224 199 A 33 ILE H A 30 PHE HA 1.0 . 4.74 225 200 A 34 GLN HB3 A 64 GLN HA 1.0 . 4.58 226 201 A 36 ASP HA A 37 GLY HA2 1.0 . 4.61 227 201 A 36 ASP HA A 37 GLY HA3 1.0 . 4.61 228 202 A 38 PHE HA A 37 GLY HA2 1.0 . 4.96 229 202 A 37 GLY HA3 A 38 PHE HA 1.0 . 4.96 230 203 A 31 SER H A 32 ALA HA 1.0 . 5.16 231 204 A 47 VAL HG1% A 5 THR HA 1.0 . 4.73 232 205 A 49 PHE HB2 A 50 ASP HB2 1.0 . 4.66 233 206 A 56 ARG HA A 55 GLN HA 1.0 . 4.80 234 207 A 33 ILE HA A 63 VAL HG2% 1.0 . 4.42 235 208 A 66 ALA HB% A 46 ALA HA 1.0 . 4.52 236 209 A 49 PHE HD1 A 18 ILE HB 1.0 . 5.19 237 210 A 33 ILE HD1% A 30 PHE HB3 1.0 . 4.46 238 211 A 33 ILE HD1% A 30 PHE HB2 1.0 . 4.46 239 212 A 31 SER HA A 30 PHE HB2 1.0 . 5.50 240 213 A 31 SER HA A 30 PHE HB3 1.0 . 5.50 241 214 A 20 ARG HB3 A 20 ARG HDx 1.0 . 3.31 242 214 A 20 ARG HB2 A 20 ARG HDx 1.0 . 3.31 243 214 A 20 ARG HDy A 20 ARG HB2 1.0 . 3.31 244 214 A 20 ARG HB3 A 20 ARG HDy 1.0 . 3.31 245 215 A 11 ALA HA A 14 GLY HA2 1.0 . 4.47 246 215 A 11 ALA HA A 14 GLY HA3 1.0 . 4.47 247 216 A 13 LYS HA A 14 GLY HA2 1.0 . 5.12 248 216 A 13 LYS HA A 14 GLY HA3 1.0 . 5.12 249 217 A 30 PHE HD1 A 14 GLY HA2 1.0 . 4.20 250 217 A 30 PHE HD1 A 14 GLY HA3 1.0 . 4.20 251 218 A 12 GLU HB2 A 12 GLU HG2 1.0 . 2.91 252 218 A 12 GLU HG3 A 12 GLU HB2 1.0 . 2.91 253 219 A 63 VAL HA A 64 GLN HB2 1.0 . 4.59 254 220 A 25 ASP HA A 20 ARG HB2 1.0 . 4.74 255 220 A 20 ARG HB3 A 25 ASP HA 1.0 . 4.74 256 221 A 49 PHE HA A 50 ASP HA 1.0 . 4.58 257 222 A 50 ASP HB2 A 61 ALA H 1.0 . 4.88 258 223 A 48 THR HB A 64 GLN H 1.0 . 5.34 259 224 A 5 THR HG2% A 44 GLY H 1.0 . 4.28 260 225 A 48 THR HG2% A 48 THR H 1.0 . 4.44 261 226 A 47 VAL HA A 64 GLN H 1.0 . 4.70 262 227 A 41 LEU HG A 47 VAL HB 1.0 . 5.32 263 228 A 47 VAL HG1% A 66 ALA H 1.0 . 3.81 264 229 A 47 VAL HG1% A 47 VAL H 1.0 . 3.50 265 230 A 47 VAL HG2% A 6 VAL H 1.0 . 4.12 266 231 A 46 ALA HB% A 66 ALA H 1.0 . 3.71 267 232 A 45 GLN HA A 42 ASP H 1.0 . 5.50 268 233 A 6 VAL HG2% A 45 GLN HB2 1.0 . 4.88 269 234 A 45 GLN HB2 A 45 GLN HG2 1.0 . 2.72 270 234 A 45 GLN HG3 A 45 GLN HB2 1.0 . 2.72 271 235 A 45 GLN H A 45 GLN HG2 1.0 . 4.09 272 235 A 45 GLN HG3 A 45 GLN H 1.0 . 4.09 273 236 A 43 GLU HA A 42 ASP HA 1.0 . 4.95 274 237 A 33 ILE HD1% A 41 LEU HB2 1.0 . 4.19 275 238 A 33 ILE HD1% A 41 LEU HB3 1.0 . 4.19 276 239 A 6 VAL HG2% A 41 LEU HB3 1.0 . 4.15 277 240 A 41 LEU H A 40 SER HB3 1.0 . 4.45 278 241 A 6 VAL HA A 5 THR HB 1.0 . 4.97 279 242 A 64 GLN HA A 34 GLN HG2 1.0 . 4.89 280 242 A 34 GLN HG3 A 64 GLN HA 1.0 . 4.89 281 243 A 30 PHE HA A 33 ILE HG12 1.0 . 4.24 282 244 A 20 ARG H A 20 ARG HB2 1.0 . 3.58 283 244 A 20 ARG HB3 A 20 ARG H 1.0 . 3.58 284 245 A 44 GLY H A 43 GLU HG3 1.0 . 4.01 285 246 A 18 ILE HA A 18 ILE HD1% 1.0 . 4.99 286 247 A 47 VAL HG1% A 18 ILE HD1% 1.0 . 4.05 287 248 A 18 ILE HD1% A 6 VAL H 1.0 . 4.95 288 249 A 49 PHE HD1 A 18 ILE HG12 1.0 . 5.25 289 250 A 18 ILE HG12 A 7 LYS HB2 1.0 . 5.50 290 251 A 18 ILE HG2% A 19 GLU H 1.0 . 2.92 291 252 A 65 LYS HG3 A 64 GLN HA 1.0 . 4.70 292 253 A 6 VAL HA A 7 LYS HB2 1.0 . 5.17 293 254 A 6 VAL HA A 7 LYS HB3 1.0 . 5.50 294 255 A 7 LYS HB2 A 7 LYS HE2 1.0 . 4.18 295 255 A 7 LYS HB2 A 7 LYS HE3 1.0 . 4.18 296 256 A 6 VAL HB A 5 THR HA 1.0 . 4.80 297 257 A 66 ALA H A 47 VAL H 1.0 . 4.96 298 258 A 65 LYS HA A 66 ALA H 1.0 . 2.62 299 259 A 66 ALA HB% A 66 ALA H 1.0 . 2.90 300 260 A 66 ALA H A 65 LYS HB2 1.0 . 4.16 301 261 A 66 ALA H A 65 LYS HB3 1.0 . 3.60 302 262 A 66 ALA H A 47 VAL HB 1.0 . 4.96 303 263 A 62 ASN H A 63 VAL H 1.0 . 3.40 304 264 A 63 VAL H A 61 ALA HA 1.0 . 4.69 305 265 A 63 VAL H A 62 ASN HA 1.0 . 3.06 306 266 A 63 VAL H A 61 ALA HB% 1.0 . 5.48 307 267 A 63 VAL H A 63 VAL HB 1.0 . 3.63 308 268 A 63 VAL H A 62 ASN HB2 1.0 . 4.51 309 269 A 62 ASN H A 61 ALA H 1.0 . 4.36 310 270 A 62 ASN H A 61 ALA HA 1.0 . 2.83 311 271 A 62 ASN H A 62 ASN HA 1.0 . 2.80 312 272 A 62 ASN H A 62 ASN HB2 1.0 . 4.15 313 273 A 62 ASN H A 32 ALA HB% 1.0 . 4.35 314 274 A 62 ASN H A 61 ALA HB% 1.0 . 3.08 315 275 A 50 ASP H A 61 ALA H 1.0 . 3.60 316 276 A 61 ALA H A 60 ALA HA 1.0 . 2.76 317 277 A 61 ALA HB% A 61 ALA H 1.0 . 3.10 318 278 A 49 PHE HB2 A 61 ALA H 1.0 . 4.01 319 279 A 60 ALA HB% A 61 ALA H 1.0 . 3.34 320 280 A 59 GLN HA A 60 ALA H 1.0 . 2.86 321 281 A 28 VAL HA A 60 ALA H 1.0 . 3.65 322 282 A 60 ALA H A 59 GLN HB3 1.0 . 4.16 323 283 A 60 ALA H A 59 GLN HB2 1.0 . 4.16 324 284 A 28 VAL HB A 60 ALA H 1.0 . 4.96 325 285 A 61 ALA HB% A 60 ALA H 1.0 . 5.34 326 286 A 60 ALA HB% A 60 ALA H 1.0 . 2.85 327 287 A 28 VAL HG2% A 60 ALA H 1.0 . 4.40 328 288 A 58 PRO HA A 59 GLN H 1.0 . 2.76 329 289 A 53 GLU HA A 59 GLN H 1.0 . 3.81 330 290 A 59 GLN H A 58 PRO HB2 1.0 . 4.37 331 291 A 26 VAL HG1% A 59 GLN H 1.0 . 5.47 332 292 A 54 GLY H A 57 GLY H 1.0 . 3.82 333 293 A 57 GLY H A 56 ARG HB2 1.0 . 4.30 334 293 A 57 GLY H A 56 ARG HB3 1.0 . 4.30 335 294 A 56 ARG H A 55 GLN H 1.0 . 3.47 336 295 A 56 ARG H A 54 GLY H 1.0 . 4.44 337 296 A 56 ARG H A 57 GLY H 1.0 . 3.01 338 297 A 56 ARG H A 55 GLN HA 1.0 . 3.52 339 298 A 56 ARG H A 56 ARG HB2 1.0 . 3.04 340 298 A 56 ARG H A 56 ARG HB3 1.0 . 3.04 341 299 A 56 ARG H A 55 GLN HG2 1.0 . 4.44 342 299 A 56 ARG H A 55 GLN HG3 1.0 . 4.44 343 300 A 25 ASP H A 24 ASP H 1.0 . 3.81 344 301 A 25 ASP H A 26 VAL H 1.0 . 4.35 345 302 A 51 VAL H A 50 ASP HA 1.0 . 2.81 346 303 A 59 GLN H A 54 GLY H 1.0 . 4.22 347 304 A 54 GLY H A 57 GLY HA2 1.0 . 3.67 348 304 A 57 GLY HA3 A 54 GLY H 1.0 . 3.67 349 305 A 53 GLU HA A 54 GLY H 1.0 . 2.62 350 306 A 53 GLU H A 54 GLY H 1.0 . 4.63 351 307 A 49 PHE HA A 50 ASP H 1.0 . 3.10 352 308 A 50 ASP H A 49 PHE HB3 1.0 . 3.83 353 309 A 50 ASP H A 49 PHE HB2 1.0 . 3.16 354 310 A 50 ASP H A 50 ASP HB2 1.0 . 3.68 355 311 A 50 ASP H A 62 ASN HB2 1.0 . 4.54 356 312 A 50 ASP H A 61 ALA HB% 1.0 . 4.50 357 313 A 49 PHE HD1 A 49 PHE H 1.0 . 3.32 358 314 A 48 THR HA A 49 PHE H 1.0 . 2.77 359 315 A 3 GLN H A 2 GLU HA 1.0 . 2.69 360 316 A 48 THR HB A 49 PHE H 1.0 . 3.42 361 317 A 49 PHE HB3 A 49 PHE H 1.0 . 3.93 362 318 A 49 PHE H A 48 THR HG1 1.0 . 4.36 363 319 A 3 GLN H A 3 GLN HB2 1.0 . 3.78 364 320 A 3 GLN H A 3 GLN HB3 1.0 . 3.78 365 321 A 49 PHE HD1 A 48 THR H 1.0 . 5.45 366 322 A 47 VAL HA A 48 THR H 1.0 . 2.78 367 323 A 64 GLN HA A 48 THR H 1.0 . 4.70 368 324 A 48 THR HB A 48 THR H 1.0 . 3.98 369 325 A 63 VAL HA A 48 THR H 1.0 . 4.67 370 326 A 47 VAL HB A 48 THR H 1.0 . 3.05 371 327 A 64 GLN HB2 A 48 THR H 1.0 . 5.33 372 328 A 48 THR H A 64 GLN HB3 1.0 . 4.38 373 329 A 66 ALA HB% A 48 THR H 1.0 . 4.22 374 330 A 48 THR H A 48 THR HG1 1.0 . 3.62 375 331 A 47 VAL HG2% A 48 THR H 1.0 . 3.91 376 332 A 5 THR HA A 47 VAL H 1.0 . 3.41 377 333 A 46 ALA HA A 47 VAL H 1.0 . 2.60 378 334 A 47 VAL H A 45 GLN HG2 1.0 . 4.83 379 334 A 45 GLN HG3 A 47 VAL H 1.0 . 4.83 380 335 A 46 ALA HB% A 47 VAL H 1.0 . 3.36 381 336 A 66 ALA HB% A 47 VAL H 1.0 . 4.34 382 337 A 5 THR HG2% A 47 VAL H 1.0 . 4.82 383 338 A 48 THR HG2% A 47 VAL H 1.0 . 5.01 384 339 A 47 VAL HG2% A 47 VAL H 1.0 . 2.92 385 340 A 47 VAL H A 46 ALA H 1.0 . 4.49 386 341 A 5 THR HA A 46 ALA H 1.0 . 4.61 387 342 A 45 GLN HA A 46 ALA H 1.0 . 2.53 388 343 A 46 ALA H A 45 GLN HG2 1.0 . 3.63 389 343 A 45 GLN HG3 A 46 ALA H 1.0 . 3.63 390 344 A 45 GLN HB3 A 46 ALA H 1.0 . 4.27 391 345 A 46 ALA HB% A 46 ALA H 1.0 . 2.65 392 346 A 5 THR HG2% A 46 ALA H 1.0 . 4.27 393 347 A 47 VAL HG1% A 46 ALA H 1.0 . 4.60 394 348 A 43 GLU HA A 45 GLN H 1.0 . 3.53 395 349 A 6 VAL HB A 45 GLN H 1.0 . 3.40 396 350 A 45 GLN HB2 A 45 GLN H 1.0 . 2.94 397 351 A 45 GLN HB3 A 45 GLN H 1.0 . 2.95 398 352 A 5 THR HG2% A 45 GLN H 1.0 . 4.05 399 353 A 6 VAL HG2% A 45 GLN H 1.0 . 4.29 400 354 A 44 GLY H A 45 GLN H 1.0 . 3.48 401 355 A 45 GLN HA A 44 GLY H 1.0 . 5.02 402 356 A 43 GLU HA A 44 GLY H 1.0 . 2.70 403 357 A 44 GLY H A 43 GLU HG2 1.0 . 4.01 404 358 A 6 VAL HB A 44 GLY H 1.0 . 3.35 405 359 A 45 GLN HB3 A 44 GLY H 1.0 . 5.01 406 360 A 43 GLU H A 42 ASP H 1.0 . 4.41 407 361 A 42 ASP H A 45 GLN H 1.0 . 4.54 408 362 A 41 LEU HA A 42 ASP H 1.0 . 2.79 409 363 A 42 ASP H A 45 GLN HB2 1.0 . 3.75 410 364 A 45 GLN HB3 A 42 ASP H 1.0 . 4.19 411 365 A 42 ASP H A 41 LEU HB2 1.0 . 3.94 412 366 A 6 VAL HG2% A 42 ASP H 1.0 . 4.24 413 367 A 42 ASP H A 41 LEU HD2% 1.0 . 4.34 414 368 A 42 ASP H A 41 LEU HB3 1.0 . 3.94 415 369 A 42 ASP H A 41 LEU HD1% 1.0 . 4.34 416 370 A 41 LEU HG A 41 LEU H 1.0 . 4.74 417 371 A 33 ILE HD1% A 41 LEU H 1.0 . 4.44 418 372 A 66 ALA H A 65 LYS H 1.0 . 4.79 419 373 A 38 PHE H A 39 LYS H 1.0 . 4.62 420 374 A 38 PHE HA A 39 LYS H 1.0 . 2.87 421 375 A 65 LYS H A 64 GLN HA 1.0 . 3.09 422 376 A 65 LYS H A 64 GLN HG2 1.0 . 4.13 423 377 A 65 LYS H A 64 GLN HG3 1.0 . 4.13 424 378 A 65 LYS H A 64 GLN HB2 1.0 . 4.30 425 379 A 65 LYS H A 64 GLN HB3 1.0 . 4.01 426 380 A 65 LYS HG2 A 65 LYS H 1.0 . 3.52 427 381 A 37 GLY H A 37 GLY HA2 1.0 . 2.91 428 381 A 37 GLY HA3 A 37 GLY H 1.0 . 2.91 429 382 A 36 ASP HA A 36 ASP H 1.0 . 2.86 430 383 A 36 ASP H A 35 GLY HA2 1.0 . 2.92 431 383 A 36 ASP H A 35 GLY HA3 1.0 . 2.92 432 384 A 34 GLN H A 35 GLY H 1.0 . 4.69 433 385 A 34 GLN HA A 35 GLY H 1.0 . 2.65 434 386 A 35 GLY H A 34 GLN HG2 1.0 . 4.20 435 386 A 34 GLN HG3 A 35 GLY H 1.0 . 4.20 436 387 A 34 GLN HB2 A 35 GLY H 1.0 . 3.36 437 388 A 34 GLN HB3 A 35 GLY H 1.0 . 4.05 438 389 A 33 ILE HA A 34 GLN H 1.0 . 2.76 439 390 A 63 VAL HA A 34 GLN H 1.0 . 5.50 440 391 A 64 GLN HA A 34 GLN H 1.0 . 5.01 441 392 A 34 GLN H A 34 GLN HG2 1.0 . 2.98 442 392 A 34 GLN HG3 A 34 GLN H 1.0 . 2.98 443 393 A 34 GLN HB2 A 34 GLN H 1.0 . 3.62 444 394 A 34 GLN HB3 A 34 GLN H 1.0 . 3.06 445 395 A 63 VAL HB A 34 GLN H 1.0 . 4.29 446 396 A 33 ILE HG2% A 34 GLN H 1.0 . 3.19 447 397 A 33 ILE HD1% A 34 GLN H 1.0 . 5.50 448 398 A 33 ILE H A 34 GLN H 1.0 . 4.77 449 399 A 33 ILE HB A 33 ILE H 1.0 . 3.10 450 400 A 33 ILE H A 33 ILE HG12 1.0 . 3.32 451 401 A 33 ILE HG2% A 33 ILE H 1.0 . 3.99 452 402 A 33 ILE H A 33 ILE HG13 1.0 . 3.32 453 403 A 28 VAL HG2% A 33 ILE H 1.0 . 5.21 454 404 A 33 ILE H A 32 ALA H 1.0 . 3.02 455 405 A 31 SER H A 32 ALA H 1.0 . 3.32 456 406 A 32 ALA H A 29 HIS HB2 1.0 . 4.67 457 407 A 33 ILE HB A 32 ALA H 1.0 . 5.33 458 408 A 32 ALA HB% A 32 ALA H 1.0 . 2.64 459 409 A 33 ILE HD1% A 32 ALA H 1.0 . 4.45 460 410 A 28 VAL HG2% A 32 ALA H 1.0 . 4.72 461 411 A 30 PHE HD1 A 30 PHE H 1.0 . 3.22 462 412 A 30 PHE H A 29 HIS HA 1.0 . 3.00 463 413 A 30 PHE H A 30 PHE HB3 1.0 . 3.78 464 414 A 30 PHE H A 30 PHE HB2 1.0 . 3.78 465 415 A 33 ILE HD1% A 30 PHE H 1.0 . 4.46 466 416 A 28 VAL H A 29 HIS H 1.0 . 4.46 467 417 A 28 VAL HA A 29 HIS H 1.0 . 2.77 468 418 A 29 HIS H A 29 HIS HB3 1.0 . 3.58 469 419 A 29 HIS H A 29 HIS HB2 1.0 . 3.58 470 420 A 32 ALA HB% A 29 HIS H 1.0 . 3.80 471 421 A 28 VAL HG1% A 29 HIS H 1.0 . 4.33 472 422 A 28 VAL HG2% A 29 HIS H 1.0 . 3.31 473 423 A 60 ALA HB% A 29 HIS H 1.0 . 4.25 474 424 A 28 VAL HB A 29 HIS H 1.0 . 4.38 475 425 A 27 PHE HDx A 28 VAL H 1.0 . 4.09 476 426 A 17 PHE HA A 28 VAL H 1.0 . 3.79 477 427 A 27 PHE HA A 28 VAL H 1.0 . 2.87 478 428 A 27 PHE HB2 A 28 VAL H 1.0 . 4.35 479 429 A 27 PHE HB3 A 28 VAL H 1.0 . 4.62 480 430 A 28 VAL HB A 28 VAL H 1.0 . 3.76 481 431 A 28 VAL HG2% A 28 VAL H 1.0 . 4.17 482 432 A 28 VAL HG1% A 28 VAL H 1.0 . 2.95 483 433 A 27 PHE HDx A 27 PHE H 1.0 . 5.03 484 434 A 27 PHE HB2 A 27 PHE H 1.0 . 3.33 485 435 A 27 PHE HB3 A 27 PHE H 1.0 . 3.22 486 436 A 26 VAL HG2% A 27 PHE H 1.0 . 4.39 487 437 A 26 VAL HG1% A 27 PHE H 1.0 . 3.52 488 438 A 26 VAL HG2% A 26 VAL H 1.0 . 3.40 489 439 A 26 VAL HG1% A 26 VAL H 1.0 . 4.03 490 440 A 18 ILE HG2% A 26 VAL H 1.0 . 4.56 491 441 A 24 ASP H A 23 GLY H 1.0 . 4.44 492 442 A 24 ASP H A 23 GLY HA2 1.0 . 3.12 493 442 A 24 ASP H A 23 GLY HA3 1.0 . 3.12 494 443 A 23 GLY H A 22 ASN H 1.0 . 3.34 495 444 A 23 GLY H A 22 ASN HB2 1.0 . 4.30 496 444 A 23 GLY H A 22 ASN HB3 1.0 . 4.30 497 445 A 22 ASN H A 21 GLU H 1.0 . 3.47 498 446 A 22 ASN H A 22 ASN HB2 1.0 . 3.47 499 446 A 22 ASN H A 22 ASN HB3 1.0 . 3.47 500 447 A 20 ARG H A 21 GLU H 1.0 . 4.53 501 448 A 19 GLU HA A 20 ARG H 1.0 . 2.77 502 449 A 19 GLU H A 5 THR H 1.0 . 4.72 503 450 A 18 ILE HA A 19 GLU H 1.0 . 2.86 504 451 A 6 VAL HA A 19 GLU H 1.0 . 3.67 505 452 A 19 GLU HB3 A 19 GLU H 1.0 . 3.16 506 453 A 7 LYS HB2 A 19 GLU H 1.0 . 4.25 507 454 A 19 GLU H A 7 LYS HG2 1.0 . 4.42 508 455 A 18 ILE HG13 A 19 GLU H 1.0 . 5.08 509 456 A 18 ILE HB A 19 GLU H 1.0 . 4.63 510 457 A 18 ILE H A 27 PHE HA 1.0 . 4.64 511 458 A 18 ILE H A 17 PHE HB3 1.0 . 4.35 512 459 A 18 ILE H A 18 ILE HG13 1.0 . 3.61 513 460 A 18 ILE H A 18 ILE HB 1.0 . 3.19 514 461 A 26 VAL HG1% A 18 ILE H 1.0 . 4.66 515 462 A 18 ILE HG2% A 18 ILE H 1.0 . 3.95 516 463 A 6 VAL HG1% A 18 ILE H 1.0 . 4.84 517 464 A 18 ILE H A 18 ILE HD1% 1.0 . 4.29 518 465 A 18 ILE HG13 A 17 PHE H 1.0 . 5.02 519 466 A 28 VAL H A 16 GLY H 1.0 . 3.89 520 467 A 28 VAL HG1% A 16 GLY H 1.0 . 3.43 521 468 A 15 PHE H A 13 LYS H 1.0 . 4.14 522 469 A 15 PHE H A 14 GLY H 1.0 . 3.18 523 470 A 15 PHE H A 16 GLY H 1.0 . 4.61 524 471 A 15 PHE H A 29 HIS HA 1.0 . 5.50 525 472 A 15 PHE H A 10 ASN HB2 1.0 . 4.26 526 473 A 15 PHE H A 13 LYS HB3 1.0 . 4.68 527 474 A 15 PHE H A 13 LYS HB2 1.0 . 3.91 528 475 A 11 ALA HA A 14 GLY H 1.0 . 3.86 529 476 A 13 LYS HB2 A 14 GLY H 1.0 . 4.17 530 477 A 11 ALA H A 12 GLU H 1.0 . 3.17 531 478 A 14 GLY H A 12 GLU H 1.0 . 3.83 532 479 A 13 LYS H A 12 GLU H 1.0 . 2.93 533 480 A 12 GLU H A 10 ASN HA 1.0 . 3.86 534 481 A 12 GLU HB2 A 12 GLU H 1.0 . 2.81 535 482 A 11 ALA HB% A 12 GLU H 1.0 . 3.42 536 483 A 11 ALA H A 10 ASN HA 1.0 . 2.86 537 484 A 11 ALA HB% A 11 ALA H 1.0 . 2.98 538 485 A 15 PHE H A 10 ASN H 1.0 . 4.09 539 486 A 10 ASN H A 9 PHE HA 1.0 . 3.17 540 487 A 10 ASN H A 9 PHE HB3 1.0 . 4.53 541 488 A 8 TRP H A 9 PHE H 1.0 . 4.47 542 489 A 8 TRP HA A 9 PHE H 1.0 . 2.94 543 490 A 9 PHE H A 8 TRP HB3 1.0 . 3.97 544 491 A 9 PHE H A 8 TRP HB2 1.0 . 3.97 545 492 A 9 PHE H A 9 PHE HB3 1.0 . 4.00 546 493 A 9 PHE H A 9 PHE HB2 1.0 . 4.00 547 494 A 6 VAL HG1% A 9 PHE H 1.0 . 4.32 548 495 A 18 ILE HA A 8 TRP H 1.0 . 4.69 549 496 A 8 TRP H A 17 PHE HB3 1.0 . 4.87 550 497 A 8 TRP H A 17 PHE HB2 1.0 . 4.87 551 498 A 7 LYS HB3 A 8 TRP H 1.0 . 3.46 552 499 A 6 VAL HG1% A 8 TRP H 1.0 . 3.19 553 500 A 18 ILE HA A 7 LYS H 1.0 . 3.28 554 501 A 6 VAL HA A 7 LYS H 1.0 . 2.91 555 502 A 7 LYS H A 7 LYS HB2 1.0 . 3.49 556 503 A 6 VAL HG2% A 7 LYS H 1.0 . 4.41 557 504 A 18 ILE HG12 A 7 LYS H 1.0 . 4.06 558 505 A 47 VAL H A 6 VAL H 1.0 . 4.56 559 506 A 6 VAL H A 45 GLN H 1.0 . 4.01 560 507 A 5 THR HA A 6 VAL H 1.0 . 2.71 561 508 A 46 ALA HA A 6 VAL H 1.0 . 3.82 562 509 A 18 ILE HA A 6 VAL H 1.0 . 5.08 563 510 A 5 THR HB A 6 VAL H 1.0 . 3.59 564 511 A 6 VAL HB A 6 VAL H 1.0 . 2.98 565 512 A 45 GLN HB3 A 6 VAL H 1.0 . 4.43 566 513 A 18 ILE HG12 A 6 VAL H 1.0 . 4.78 567 514 A 6 VAL HG1% A 6 VAL H 1.0 . 3.86 568 515 A 47 VAL HG1% A 6 VAL H 1.0 . 4.83 569 516 A 6 VAL HG2% A 6 VAL H 1.0 . 2.90 570 517 A 5 THR HG2% A 6 VAL H 1.0 . 3.35 571 518 A 5 THR H A 4 GLY H 1.0 . 4.25 572 519 A 5 THR H A 4 GLY HA2 1.0 . 3.11 573 519 A 5 THR H A 4 GLY HA3 1.0 . 3.11 574 520 A 5 THR HB A 5 THR H 1.0 . 3.44 575 521 A 5 THR HG2% A 5 THR H 1.0 . 4.73 576 522 A 47 VAL HG2% A 5 THR H 1.0 . 5.50 577 523 A 3 GLN H A 4 GLY H 1.0 . 4.65 578 524 A 48 THR HA A 4 GLY H 1.0 . 4.24 579 525 A 4 GLY H A 3 GLN HA 1.0 . 2.89 580 526 A 4 GLY H A 3 GLN HB3 1.0 . 3.71 581 527 A 4 GLY H A 3 GLN HB2 1.0 . 3.71 582 528 A 48 THR HG2% A 4 GLY H 1.0 . 4.20 583 529 A 61 ALA HB% A 62 ASN HD21 1.0 . 4.08 584 530 A 34 GLN HE21 A 45 GLN HG2 1.0 . 3.75 585 530 A 45 GLN HG3 A 34 GLN HE21 1.0 . 3.75 586 531 A 65 LYS HB3 A 34 GLN HE21 1.0 . 4.47 587 532 A 65 LYS HG2 A 34 GLN HE21 1.0 . 4.75 588 533 A 34 GLN HE22 A 65 LYS HB3 1.0 . 4.47 589 534 A 64 GLN H A 48 THR H 1.0 . 3.59 590 535 A 48 THR HA A 64 GLN H 1.0 . 5.35 591 536 A 49 PHE HA A 64 GLN H 1.0 . 4.25 592 537 A 63 VAL HA A 64 GLN H 1.0 . 2.74 593 538 A 49 PHE HB3 A 64 GLN H 1.0 . 4.30 594 539 A 52 GLU H A 51 VAL HB 1.0 . 4.41 595 540 A 52 GLU H A 50 ASP HB3 1.0 . 5.50 596 541 A 47 VAL HB A 64 GLN H 1.0 . 3.96 597 542 A 61 ALA HB% A 52 GLU H 1.0 . 5.01 598 543 A 52 GLU H A 51 VAL HG2% 1.0 . 4.39 599 544 A 52 GLU H A 51 VAL HG1% 1.0 . 4.39 600 545 A 64 GLN HB2 A 64 GLN H 1.0 . 3.65 601 546 A 64 GLN H A 64 GLN HB3 1.0 . 3.44 602 547 A 51 VAL HA A 52 GLU H 1.0 . 2.79 603 548 A 13 LYS H A 14 GLY H 1.0 . 3.25 604 549 A 12 GLU HB2 A 13 LYS H 1.0 . 3.72 605 550 A 13 LYS H A 12 GLU HB3 1.0 . 4.04 606 551 A 13 LYS H A 13 LYS HB3 1.0 . 3.77 607 552 A 11 ALA HB% A 13 LYS H 1.0 . 4.91 608 553 A 13 LYS H A 13 LYS HB2 1.0 . 3.40 609 554 A 31 SER H A 31 SER HB3 1.0 . 3.74 610 555 A 31 SER H A 31 SER HB2 1.0 . 3.74 611 556 A 32 ALA HB% A 31 SER H 1.0 . 4.29 612 557 A 7 LYS H A 8 TRP H 1.0 . 3.12 613 558 A 7 LYS HB2 A 8 TRP H 1.0 . 3.21 614 559 A 13 LYS H A 13 LYS HG3 1.0 . 4.23 615 560 A 6 VAL H A 5 THR H 1.0 . 4.82 616 561 A 50 ASP H A 49 PHE H 1.0 . 4.58 617 562 A 50 ASP H A 60 ALA HA 1.0 . 5.43 618 563 A 18 ILE H A 17 PHE HA 1.0 . 2.98 619 564 A 60 ALA H A 29 HIS H 1.0 . 4.62 620 565 A 32 ALA HB% A 61 ALA H 1.0 . 5.50 621 566 A 49 PHE HB3 A 61 ALA H 1.0 . 4.57 622 567 A 7 LYS HB3 A 8 TRP HE1 1.0 . 4.46 623 568 A 45 GLN H A 46 ALA H 1.0 . 4.63 624 569 A 18 ILE HG13 A 7 LYS H 1.0 . 5.21 625 570 A 6 VAL HB A 7 LYS H 1.0 . 4.46 626 571 A 12 GLU H A 12 GLU HB3 1.0 . 3.49 627 572 A 13 LYS HB2 A 12 GLU H 1.0 . 4.79 628 573 A 41 LEU HG A 42 ASP H 1.0 . 4.47 629 574 A 55 GLN H A 55 GLN HG2 1.0 . 3.94 630 574 A 55 GLN H A 55 GLN HG3 1.0 . 3.94 631 575 A 55 GLN H A 55 GLN HB2 1.0 . 3.15 632 576 A 55 GLN HA A 55 GLN H 1.0 . 2.94 633 577 A 54 GLY H A 55 GLN H 1.0 . 4.69 634 578 A 66 ALA H A 48 THR H 1.0 . 4.13 635 579 A 47 VAL HA A 66 ALA H 1.0 . 3.10 636 580 A 65 LYS H A 64 GLN H 1.0 . 4.51 637 581 A 63 VAL H A 64 GLN H 1.0 . 4.64 638 582 A 49 PHE HB2 A 64 GLN H 1.0 . 4.88 639 583 A 63 VAL HB A 64 GLN H 1.0 . 4.50 640 584 A 64 GLN H A 48 THR HG1 1.0 . 4.79 641 585 A 63 VAL H A 64 GLN HA 1.0 . 5.34 642 586 A 49 PHE HB3 A 63 VAL H 1.0 . 4.89 643 587 A 63 VAL H A 33 ILE HG2% 1.0 . 5.10 644 588 A 62 ASN H A 63 VAL HB 1.0 . 5.50 645 589 A 27 PHE HDx A 60 ALA H 1.0 . 4.70 646 590 A 27 PHE HB3 A 60 ALA H 1.0 . 4.89 647 591 A 28 VAL HG1% A 60 ALA H 1.0 . 5.50 648 592 A 59 GLN H A 58 PRO HB3 1.0 . 4.37 649 593 A 53 GLU HA A 57 GLY H 1.0 . 5.50 650 594 A 43 GLU H A 42 ASP HA 1.0 . 2.57 651 595 A 43 GLU H A 43 GLU HB3 1.0 . 2.97 652 596 A 43 GLU H A 43 GLU HB2 1.0 . 2.97 653 597 A 6 VAL HG1% A 43 GLU H 1.0 . 4.56 654 598 A 43 GLU H A 45 GLN H 1.0 . 4.87 655 599 A 43 GLU H A 9 PHE H 1.0 . 5.05 656 600 A 57 GLY H A 55 GLN H 1.0 . 4.72 657 601 A 55 GLN H A 55 GLN HB3 1.0 . 3.15 658 602 A 51 VAL H A 51 VAL HB 1.0 . 3.54 659 603 A 51 VAL H A 51 VAL HG1% 1.0 . 3.86 660 604 A 51 VAL H A 51 VAL HG2% 1.0 . 3.86 661 605 A 51 VAL H A 50 ASP HB2 1.0 . 4.68 662 606 A 25 ASP H A 24 ASP HB3 1.0 . 3.97 663 607 A 25 ASP H A 24 ASP HB2 1.0 . 3.97 664 608 A 53 GLU H A 52 GLU HA 1.0 . 3.53 665 609 A 52 GLU HB3 A 53 GLU H 1.0 . 3.85 666 610 A 52 GLU H A 53 GLU H 1.0 . 4.53 667 611 A 52 GLU H A 51 VAL H 1.0 . 4.72 668 612 A 50 ASP H A 60 ALA HB% 1.0 . 5.23 669 613 A 48 THR H A 49 PHE H 1.0 . 4.77 670 614 A 48 THR H A 47 VAL H 1.0 . 4.42 671 615 A 65 LYS HA A 48 THR H 1.0 . 4.16 672 616 A 65 LYS HA A 47 VAL H 1.0 . 5.50 673 617 A 45 GLN HB2 A 46 ALA H 1.0 . 4.27 674 618 A 66 ALA HB% A 46 ALA H 1.0 . 4.91 675 619 A 5 THR HB A 45 GLN H 1.0 . 5.50 676 620 A 47 VAL HG1% A 45 GLN H 1.0 . 5.20 677 621 A 43 GLU H A 44 GLY H 1.0 . 4.69 678 622 A 8 TRP HA A 44 GLY H 1.0 . 5.50 679 623 A 5 THR HB A 44 GLY H 1.0 . 4.94 680 624 A 6 VAL HG2% A 44 GLY H 1.0 . 4.78 681 625 A 42 ASP H A 41 LEU H 1.0 . 4.76 682 626 A 43 GLU HA A 42 ASP H 1.0 . 5.25 683 627 A 41 LEU H A 31 SER HA 1.0 . 5.50 684 628 A 13 LYS H A 12 GLU HG2 1.0 . 4.71 685 628 A 12 GLU HG3 A 13 LYS H 1.0 . 4.71 686 629 A 33 ILE H A 31 SER H 1.0 . 4.93 687 630 A 31 SER H A 29 HIS HA 1.0 . 4.64 688 631 A 65 LYS H A 65 LYS HE2 1.0 . 4.71 689 631 A 65 LYS HE3 A 65 LYS H 1.0 . 4.71 690 632 A 65 LYS H A 65 LYS HB2 1.0 . 3.40 691 633 A 38 PHE H A 37 GLY HA2 1.0 . 3.18 692 633 A 37 GLY HA3 A 38 PHE H 1.0 . 3.18 693 634 A 38 PHE H A 39 LYS HA 1.0 . 5.50 694 635 A 65 LYS HG2 A 34 GLN HE22 1.0 . 4.75 695 636 A 33 ILE H A 31 SER HA 1.0 . 4.66 696 637 A 32 ALA H A 29 HIS HB3 1.0 . 4.67 697 638 A 30 PHE HA A 32 ALA H 1.0 . 4.01 698 639 A 31 SER H A 30 PHE H 1.0 . 4.18 699 640 A 32 ALA H A 29 HIS H 1.0 . 5.00 700 641 A 26 VAL H A 27 PHE H 1.0 . 4.55 701 642 A 28 VAL HG1% A 27 PHE H 1.0 . 5.37 702 643 A 26 VAL H A 20 ARG HB2 1.0 . 4.81 703 643 A 20 ARG HB3 A 26 VAL H 1.0 . 4.81 704 644 A 18 ILE HG13 A 26 VAL H 1.0 . 5.50 705 645 A 18 ILE HB A 26 VAL H 1.0 . 3.99 706 646 A 5 THR HA A 19 GLU H 1.0 . 5.44 707 647 A 5 THR HB A 19 GLU H 1.0 . 5.00 708 648 A 6 VAL HG1% A 19 GLU H 1.0 . 4.96 709 649 A 18 ILE HD1% A 19 GLU H 1.0 . 4.91 710 650 A 18 ILE H A 27 PHE H 1.0 . 5.12 711 651 A 18 ILE H A 7 LYS HB2 1.0 . 4.94 712 652 A 28 VAL HB A 18 ILE H 1.0 . 5.10 713 653 A 8 TRP HA A 17 PHE H 1.0 . 5.44 714 654 A 6 VAL HG1% A 17 PHE H 1.0 . 4.94 715 655 A 29 HIS HA A 16 GLY H 1.0 . 4.56 716 656 A 13 LYS HB3 A 14 GLY H 1.0 . 4.82 717 657 A 11 ALA HB% A 14 GLY H 1.0 . 4.98 718 658 A 15 PHE H A 11 ALA HA 1.0 . 4.45 719 659 A 13 LYS H A 11 ALA H 1.0 . 4.59 720 660 A 12 GLU H A 12 GLU HG2 1.0 . 3.41 721 660 A 12 GLU HG3 A 12 GLU H 1.0 . 3.41 722 661 A 12 GLU H A 14 GLY HA2 1.0 . 5.50 723 661 A 14 GLY HA3 A 12 GLU H 1.0 . 5.50 724 662 A 11 ALA H A 9 PHE HA 1.0 . 5.08 725 663 A 11 ALA H A 10 ASN HB3 1.0 . 4.88 726 664 A 11 ALA H A 10 ASN HB2 1.0 . 4.88 727 665 A 13 LYS HB2 A 10 ASN H 1.0 . 4.93 728 666 A 6 VAL HG1% A 10 ASN H 1.0 . 5.50 729 667 A 10 ASN H A 9 PHE HB2 1.0 . 4.53 730 668 A 8 TRP H A 8 TRP HE1 1.0 . 5.50 731 669 A 6 VAL HG2% A 8 TRP H 1.0 . 5.33 732 670 A 7 LYS H A 5 THR HB 1.0 . 5.44 733 671 A 7 LYS H A 6 VAL H 1.0 . 4.56 734 672 A 45 GLN HA A 6 VAL H 1.0 . 5.27 735 673 A 46 ALA HB% A 6 VAL H 1.0 . 5.25 736 674 A 6 VAL HG2% A 5 THR H 1.0 . 5.50 737 675 A 66 ALA HB% A 4 GLY H 1.0 . 5.23 738 676 A 3 GLN H A 2 GLU HG2 1.0 . 3.46 739 676 A 3 GLN H A 2 GLU HG3 1.0 . 3.46 740 677 A 39 LYS H A 39 LYS HB2 1.0 . 3.04 741 677 A 39 LYS H A 39 LYS HB3 1.0 . 3.04 742 678 A 65 LYS HG3 A 65 LYS H 1.0 . 3.50 743 679 A 3 GLN H A 2 GLU HB2 1.0 . 4.08 744 679 A 3 GLN H A 2 GLU HB3 1.0 . 4.08 745 680 A 3 GLN H A 3 GLN HB2 1.0 . 3.04 746 680 A 3 GLN H A 3 GLN HB3 1.0 . 3.04 747 681 A 3 GLN HA A 3 GLN HG2 1.0 . 3.44 748 681 A 3 GLN HA A 3 GLN HG3 1.0 . 3.44 749 682 A 3 GLN HA A 51 VAL HG2% 1.0 . 5.01 750 682 A 3 GLN HA A 51 VAL HG1% 1.0 . 5.01 751 683 A 4 GLY H A 3 GLN HB2 1.0 . 3.17 752 683 A 4 GLY H A 3 GLN HB3 1.0 . 3.17 753 684 A 48 THR HB A 3 GLN HB2 1.0 . 4.19 754 684 A 48 THR HB A 3 GLN HB3 1.0 . 4.19 755 685 A 48 THR HG2% A 3 GLN HB2 1.0 . 3.88 756 685 A 48 THR HG2% A 3 GLN HB3 1.0 . 3.88 757 686 A 4 GLY H A 3 GLN HG2 1.0 . 4.41 758 686 A 4 GLY H A 3 GLN HG3 1.0 . 4.41 759 687 A 48 THR HA A 3 GLN HG2 1.0 . 4.18 760 687 A 48 THR HA A 3 GLN HG3 1.0 . 4.18 761 688 A 48 THR HB A 3 GLN HG2 1.0 . 4.20 762 688 A 48 THR HB A 3 GLN HG3 1.0 . 4.20 763 689 A 48 THR HG2% A 3 GLN HG2 1.0 . 4.63 764 689 A 48 THR HG2% A 3 GLN HG3 1.0 . 4.63 765 690 A 18 ILE HB A 3 GLN HE22 1.0 . 4.57 766 690 A 18 ILE HB A 3 GLN HE21 1.0 . 4.57 767 691 A 18 ILE HG13 A 3 GLN HE22 1.0 . 5.34 768 691 A 18 ILE HG13 A 3 GLN HE21 1.0 . 5.34 769 692 A 18 ILE HD1% A 3 GLN HE22 1.0 . 3.87 770 692 A 18 ILE HD1% A 3 GLN HE21 1.0 . 3.87 771 693 A 26 VAL HB A 3 GLN HE22 1.0 . 4.53 772 693 A 26 VAL HB A 3 GLN HE21 1.0 . 4.53 773 694 A 26 VAL HG1% A 3 GLN HE22 1.0 . 3.47 774 694 A 26 VAL HG1% A 3 GLN HE21 1.0 . 3.47 775 695 A 26 VAL HG2% A 3 GLN HE22 1.0 . 3.47 776 695 A 26 VAL HG2% A 3 GLN HE21 1.0 . 3.47 777 696 A 51 VAL HA A 3 GLN HE22 1.0 . 5.34 778 696 A 51 VAL HA A 3 GLN HE21 1.0 . 5.34 779 697 A 51 VAL HB A 3 GLN HE22 1.0 . 4.55 780 697 A 51 VAL HB A 3 GLN HE21 1.0 . 4.55 781 698 A 3 GLN HE22 A 51 VAL HG2% 1.0 . 3.03 782 698 A 3 GLN HE21 A 51 VAL HG2% 1.0 . 3.03 783 698 A 51 VAL HG1% A 3 GLN HE22 1.0 . 3.03 784 698 A 51 VAL HG1% A 3 GLN HE21 1.0 . 3.03 785 699 A 5 THR HA A 19 GLU HG2 1.0 . 4.84 786 699 A 5 THR HA A 19 GLU HGy 1.0 . 4.84 787 700 A 5 THR HB A 19 GLU HG2 1.0 . 4.37 788 700 A 5 THR HB A 19 GLU HGy 1.0 . 4.37 789 701 A 6 VAL H A 19 GLU HG2 1.0 . 5.08 790 701 A 6 VAL H A 19 GLU HGy 1.0 . 5.08 791 702 A 6 VAL H A 41 LEU HD2% 1.0 . 5.41 792 702 A 6 VAL H A 41 LEU HD1% 1.0 . 5.41 793 703 A 6 VAL HA A 7 LYS HG3 1.0 . 5.34 794 703 A 6 VAL HA A 7 LYS HG2 1.0 . 5.34 795 704 A 6 VAL HB A 41 LEU HB3 1.0 . 5.34 796 704 A 6 VAL HB A 41 LEU HB2 1.0 . 5.34 797 705 A 6 VAL HG1% A 9 PHE HB3 1.0 . 3.51 798 705 A 6 VAL HG1% A 9 PHE HB2 1.0 . 3.51 799 706 A 6 VAL HG1% A 41 LEU HB3 1.0 . 4.17 800 706 A 6 VAL HG1% A 41 LEU HB2 1.0 . 4.17 801 707 A 6 VAL HG2% A 41 LEU HB3 1.0 . 3.44 802 707 A 6 VAL HG2% A 41 LEU HB2 1.0 . 3.44 803 708 A 6 VAL HG2% A 41 LEU HD2% 1.0 . 3.84 804 708 A 6 VAL HG2% A 41 LEU HD1% 1.0 . 3.84 805 709 A 7 LYS H A 7 LYS HG3 1.0 . 4.04 806 709 A 7 LYS H A 7 LYS HG2 1.0 . 4.04 807 710 A 7 LYS HA A 7 LYS HG3 1.0 . 3.48 808 710 A 7 LYS HA A 7 LYS HG2 1.0 . 3.48 809 711 A 7 LYS HB2 A 7 LYS HD2 1.0 . 3.69 810 711 A 7 LYS HB2 A 7 LYS HDy 1.0 . 3.69 811 712 A 7 LYS HE3 A 7 LYS HG3 1.0 . 3.28 812 712 A 7 LYS HE2 A 7 LYS HG3 1.0 . 3.28 813 712 A 7 LYS HG2 A 7 LYS HE2 1.0 . 3.28 814 712 A 7 LYS HE3 A 7 LYS HG2 1.0 . 3.28 815 713 A 8 TRP H A 7 LYS HG3 1.0 . 4.89 816 713 A 8 TRP H A 7 LYS HG2 1.0 . 4.89 817 714 A 18 ILE HA A 7 LYS HG3 1.0 . 5.34 818 714 A 18 ILE HA A 7 LYS HG2 1.0 . 5.34 819 715 A 19 GLU H A 7 LYS HG3 1.0 . 3.66 820 715 A 19 GLU H A 7 LYS HG2 1.0 . 3.66 821 716 A 19 GLU HB3 A 7 LYS HG3 1.0 . 3.42 822 716 A 19 GLU HB3 A 7 LYS HG2 1.0 . 3.42 823 717 A 7 LYS HG2 A 19 GLU HG2 1.0 . 4.01 824 717 A 7 LYS HG3 A 19 GLU HG2 1.0 . 4.01 825 717 A 19 GLU HGy A 7 LYS HG3 1.0 . 4.01 826 717 A 19 GLU HGy A 7 LYS HG2 1.0 . 4.01 827 718 A 8 TRP H A 8 TRP HB2 1.0 . 3.55 828 718 A 8 TRP H A 8 TRP HB3 1.0 . 3.55 829 719 A 8 TRP H A 17 PHE HB3 1.0 . 4.13 830 719 A 8 TRP H A 17 PHE HB2 1.0 . 4.13 831 720 A 8 TRP HA A 43 GLU HG3 1.0 . 4.41 832 720 A 8 TRP HA A 43 GLU HG2 1.0 . 4.41 833 721 A 9 PHE H A 8 TRP HB2 1.0 . 3.22 834 721 A 9 PHE H A 8 TRP HB3 1.0 . 3.22 835 722 A 9 PHE H A 43 GLU HG3 1.0 . 5.34 836 722 A 9 PHE H A 43 GLU HG2 1.0 . 5.34 837 723 A 41 LEU H A 9 PHE HB3 1.0 . 5.34 838 723 A 41 LEU H A 9 PHE HB2 1.0 . 5.34 839 724 A 9 PHE HB2 A 41 LEU HB3 1.0 . 4.25 840 724 A 41 LEU HB2 A 9 PHE HB3 1.0 . 4.25 841 724 A 41 LEU HB2 A 9 PHE HB2 1.0 . 4.25 842 724 A 9 PHE HB3 A 41 LEU HB3 1.0 . 4.25 843 725 A 43 GLU H A 9 PHE HB3 1.0 . 4.59 844 725 A 43 GLU H A 9 PHE HB2 1.0 . 4.59 845 726 A 10 ASN H A 10 ASN HB2 1.0 . 3.37 846 726 A 10 ASN H A 10 ASN HB3 1.0 . 3.37 847 727 A 11 ALA H A 10 ASN HB2 1.0 . 4.24 848 727 A 11 ALA H A 10 ASN HB3 1.0 . 4.24 849 728 A 12 GLU H A 10 ASN HB2 1.0 . 4.68 850 728 A 12 GLU H A 10 ASN HB3 1.0 . 4.68 851 729 A 13 LYS H A 10 ASN HB2 1.0 . 4.22 852 729 A 13 LYS H A 10 ASN HB3 1.0 . 4.22 853 730 A 15 PHE H A 10 ASN HB2 1.0 . 3.60 854 730 A 15 PHE H A 10 ASN HB3 1.0 . 3.60 855 731 A 12 GLU H A 13 LYS HG3 1.0 . 4.41 856 731 A 12 GLU H A 13 LYS HG2 1.0 . 4.41 857 732 A 12 GLU HB2 A 13 LYS HD2 1.0 . 5.34 858 732 A 12 GLU HB2 A 13 LYS HD3 1.0 . 5.34 859 733 A 13 LYS H A 13 LYS HG3 1.0 . 3.36 860 733 A 13 LYS H A 13 LYS HG2 1.0 . 3.36 861 734 A 13 LYS H A 13 LYS HD2 1.0 . 4.37 862 734 A 13 LYS H A 13 LYS HD3 1.0 . 4.37 863 735 A 13 LYS HA A 13 LYS HD2 1.0 . 4.58 864 735 A 13 LYS HA A 13 LYS HD3 1.0 . 4.58 865 736 A 13 LYS HB2 A 13 LYS HD2 1.0 . 3.68 866 736 A 13 LYS HB2 A 13 LYS HD3 1.0 . 3.68 867 737 A 13 LYS HB3 A 13 LYS HD2 1.0 . 3.63 868 737 A 13 LYS HB3 A 13 LYS HD3 1.0 . 3.63 869 738 A 13 LYS HD2 A 13 LYS HG3 1.0 . 2.37 870 738 A 13 LYS HD3 A 13 LYS HG3 1.0 . 2.37 871 738 A 13 LYS HG2 A 13 LYS HD2 1.0 . 2.37 872 738 A 13 LYS HG2 A 13 LYS HD3 1.0 . 2.37 873 739 A 14 GLY H A 13 LYS HG3 1.0 . 4.78 874 739 A 14 GLY H A 13 LYS HG2 1.0 . 4.78 875 740 A 15 PHE H A 13 LYS HG3 1.0 . 5.34 876 740 A 15 PHE H A 13 LYS HG2 1.0 . 5.34 877 741 A 14 GLY HA3 A 30 PHE HB3 1.0 . 4.50 878 741 A 14 GLY HA2 A 30 PHE HB3 1.0 . 4.50 879 741 A 30 PHE HB2 A 14 GLY HA2 1.0 . 4.50 880 741 A 14 GLY HA3 A 30 PHE HB2 1.0 . 4.50 881 742 A 15 PHE H A 30 PHE HB3 1.0 . 4.70 882 742 A 15 PHE H A 30 PHE HB2 1.0 . 4.70 883 743 A 18 ILE H A 17 PHE HB3 1.0 . 3.53 884 743 A 18 ILE H A 17 PHE HB2 1.0 . 3.53 885 744 A 19 GLU H A 19 GLU HG2 1.0 . 3.05 886 744 A 19 GLU H A 19 GLU HGy 1.0 . 3.05 887 745 A 21 GLU H A 20 ARG HG2 1.0 . 4.51 888 745 A 21 GLU H A 20 ARG HG3 1.0 . 4.51 889 746 A 21 GLU H A 21 GLU HB2 1.0 . 2.74 890 746 A 21 GLU H A 21 GLU HB3 1.0 . 2.74 891 747 A 21 GLU H A 21 GLU HG3 1.0 . 3.57 892 747 A 21 GLU H A 21 GLU HG2 1.0 . 3.57 893 748 A 21 GLU HA A 21 GLU HG3 1.0 . 3.51 894 748 A 21 GLU HA A 21 GLU HG2 1.0 . 3.51 895 749 A 22 ASN H A 21 GLU HB2 1.0 . 3.30 896 749 A 22 ASN H A 21 GLU HB3 1.0 . 3.30 897 750 A 23 GLY H A 21 GLU HB2 1.0 . 4.81 898 750 A 23 GLY H A 21 GLU HB3 1.0 . 4.81 899 751 A 22 ASN H A 21 GLU HG3 1.0 . 4.76 900 751 A 22 ASN H A 21 GLU HG2 1.0 . 4.76 901 752 A 24 ASP H A 24 ASP HB3 1.0 . 2.98 902 752 A 24 ASP H A 24 ASP HB2 1.0 . 2.98 903 753 A 25 ASP H A 24 ASP HB3 1.0 . 3.28 904 753 A 25 ASP H A 24 ASP HB2 1.0 . 3.28 905 754 A 26 VAL HA A 58 PRO HB2 1.0 . 4.91 906 754 A 26 VAL HA A 58 PRO HB3 1.0 . 4.91 907 755 A 26 VAL HA A 58 PRO HG2 1.0 . 4.03 908 755 A 26 VAL HA A 58 PRO HG3 1.0 . 4.03 909 756 A 26 VAL HG1% A 58 PRO HB2 1.0 . 4.49 910 756 A 26 VAL HG1% A 58 PRO HB3 1.0 . 4.49 911 757 A 26 VAL HG2% A 58 PRO HB2 1.0 . 4.51 912 757 A 26 VAL HG2% A 58 PRO HB3 1.0 . 4.51 913 758 A 26 VAL HG2% A 58 PRO HG2 1.0 . 4.25 914 758 A 26 VAL HG2% A 58 PRO HG3 1.0 . 4.25 915 759 A 27 PHE H A 58 PRO HG2 1.0 . 5.35 916 759 A 27 PHE H A 58 PRO HG3 1.0 . 5.35 917 760 A 27 PHE HB3 A 58 PRO HG2 1.0 . 5.11 918 760 A 27 PHE HB3 A 58 PRO HG3 1.0 . 5.11 919 761 A 28 VAL HG2% A 33 ILE HG13 1.0 . 4.36 920 761 A 28 VAL HG2% A 33 ILE HG12 1.0 . 4.36 921 762 A 30 PHE H A 29 HIS HB2 1.0 . 4.30 922 762 A 30 PHE H A 29 HIS HB3 1.0 . 4.30 923 763 A 31 SER H A 29 HIS HB2 1.0 . 3.79 924 763 A 31 SER H A 29 HIS HB3 1.0 . 3.79 925 764 A 32 ALA H A 29 HIS HB2 1.0 . 3.91 926 764 A 32 ALA H A 29 HIS HB3 1.0 . 3.91 927 765 A 30 PHE H A 30 PHE HB3 1.0 . 2.97 928 765 A 30 PHE H A 30 PHE HB2 1.0 . 2.97 929 766 A 30 PHE HA A 33 ILE HG13 1.0 . 3.57 930 766 A 30 PHE HA A 33 ILE HG12 1.0 . 3.57 931 767 A 31 SER HA A 30 PHE HB3 1.0 . 4.68 932 767 A 31 SER HA A 30 PHE HB2 1.0 . 4.68 933 768 A 33 ILE HD1% A 30 PHE HB3 1.0 . 3.88 934 768 A 33 ILE HD1% A 30 PHE HB2 1.0 . 3.88 935 769 A 41 LEU H A 30 PHE HB3 1.0 . 4.66 936 769 A 41 LEU H A 30 PHE HB2 1.0 . 4.66 937 770 A 30 PHE HB3 A 41 LEU HB3 1.0 . 5.18 938 770 A 41 LEU HB2 A 30 PHE HB3 1.0 . 5.18 939 770 A 41 LEU HB2 A 30 PHE HB2 1.0 . 5.18 940 770 A 30 PHE HB2 A 41 LEU HB3 1.0 . 5.18 941 771 A 31 SER H A 31 SER HB3 1.0 . 3.18 942 771 A 31 SER H A 31 SER HB2 1.0 . 3.18 943 772 A 31 SER HA A 40 SER HB3 1.0 . 4.03 944 772 A 31 SER HA A 40 SER HB2 1.0 . 4.03 945 773 A 32 ALA H A 31 SER HB3 1.0 . 4.42 946 773 A 32 ALA H A 31 SER HB2 1.0 . 4.42 947 774 A 32 ALA HA A 33 ILE HG13 1.0 . 4.96 948 774 A 32 ALA HA A 33 ILE HG12 1.0 . 4.96 949 775 A 32 ALA HB% A 63 VAL HG2% 1.0 . 3.47 950 775 A 32 ALA HB% A 63 VAL HG1% 1.0 . 3.47 951 776 A 33 ILE H A 33 ILE HG13 1.0 . 2.89 952 776 A 33 ILE H A 33 ILE HG12 1.0 . 2.89 953 777 A 33 ILE HA A 33 ILE HG13 1.0 . 3.49 954 777 A 33 ILE HA A 33 ILE HG12 1.0 . 3.49 955 778 A 33 ILE HA A 63 VAL HG2% 1.0 . 3.73 956 778 A 33 ILE HA A 63 VAL HG1% 1.0 . 3.73 957 779 A 33 ILE HB A 41 LEU HD2% 1.0 . 4.15 958 779 A 33 ILE HB A 41 LEU HD1% 1.0 . 4.15 959 780 A 33 ILE HG2% A 41 LEU HB3 1.0 . 4.28 960 780 A 33 ILE HG2% A 41 LEU HB2 1.0 . 4.28 961 781 A 33 ILE HG2% A 41 LEU HD2% 1.0 . 3.61 962 781 A 33 ILE HG2% A 41 LEU HD1% 1.0 . 3.61 963 782 A 33 ILE HG2% A 63 VAL HG2% 1.0 . 3.14 964 782 A 33 ILE HG2% A 63 VAL HG1% 1.0 . 3.14 965 783 A 34 GLN H A 33 ILE HG13 1.0 . 4.59 966 783 A 34 GLN H A 33 ILE HG12 1.0 . 4.59 967 784 A 33 ILE HD1% A 41 LEU HB3 1.0 . 3.56 968 784 A 33 ILE HD1% A 41 LEU HB2 1.0 . 3.56 969 785 A 33 ILE HD1% A 41 LEU HD2% 1.0 . 4.66 970 785 A 33 ILE HD1% A 41 LEU HD1% 1.0 . 4.66 971 786 A 33 ILE HD1% A 63 VAL HG2% 1.0 . 4.36 972 786 A 33 ILE HD1% A 63 VAL HG1% 1.0 . 4.36 973 787 A 34 GLN H A 63 VAL HG2% 1.0 . 3.99 974 787 A 34 GLN H A 63 VAL HG1% 1.0 . 3.99 975 788 A 34 GLN HG3 A 45 GLN HE22 1.0 . 5.04 976 788 A 34 GLN HG2 A 45 GLN HE22 1.0 . 5.04 977 788 A 45 GLN HE21 A 34 GLN HG2 1.0 . 5.04 978 788 A 34 GLN HG3 A 45 GLN HE21 1.0 . 5.04 979 789 A 34 GLN HE21 A 41 LEU HD1% 1.0 . 4.03 980 789 A 34 GLN HE22 A 41 LEU HD2% 1.0 . 4.03 981 789 A 34 GLN HE22 A 41 LEU HD1% 1.0 . 4.03 982 789 A 34 GLN HE21 A 41 LEU HD2% 1.0 . 4.03 983 790 A 34 GLN HE22 A 45 GLN HG2 1.0 . 3.24 984 790 A 45 GLN HG3 A 34 GLN HE21 1.0 . 3.24 985 790 A 45 GLN HG3 A 34 GLN HE22 1.0 . 3.24 986 790 A 34 GLN HE21 A 45 GLN HG2 1.0 . 3.24 987 791 A 46 ALA H A 34 GLN HE21 1.0 . 5.34 988 791 A 34 GLN HE22 A 46 ALA H 1.0 . 5.34 989 792 A 46 ALA HB% A 34 GLN HE21 1.0 . 5.34 990 792 A 34 GLN HE22 A 46 ALA HB% 1.0 . 5.34 991 793 A 47 VAL HG1% A 34 GLN HE21 1.0 . 4.17 992 793 A 47 VAL HG1% A 34 GLN HE22 1.0 . 4.17 993 794 A 65 LYS HA A 34 GLN HE21 1.0 . 4.30 994 794 A 65 LYS HA A 34 GLN HE22 1.0 . 4.30 995 795 A 65 LYS HB3 A 34 GLN HE21 1.0 . 3.85 996 795 A 34 GLN HE22 A 65 LYS HB3 1.0 . 3.85 997 796 A 65 LYS HG2 A 34 GLN HE21 1.0 . 4.13 998 796 A 65 LYS HG2 A 34 GLN HE22 1.0 . 4.13 999 797 A 65 LYS HG3 A 34 GLN HE21 1.0 . 4.93 1000 797 A 65 LYS HG3 A 34 GLN HE22 1.0 . 4.93 1001 798 A 34 GLN HE21 A 65 LYS HD2 1.0 . 3.91 1002 798 A 34 GLN HE21 A 65 LYS HD3 1.0 . 3.91 1003 798 A 34 GLN HE22 A 65 LYS HD3 1.0 . 3.91 1004 798 A 34 GLN HE22 A 65 LYS HD2 1.0 . 3.91 1005 799 A 34 GLN HE21 A 65 LYS HE2 1.0 . 4.49 1006 799 A 65 LYS HE3 A 34 GLN HE21 1.0 . 4.49 1007 799 A 34 GLN HE22 A 65 LYS HE3 1.0 . 4.49 1008 799 A 34 GLN HE22 A 65 LYS HE2 1.0 . 4.49 1009 800 A 66 ALA H A 34 GLN HE21 1.0 . 5.05 1010 800 A 34 GLN HE22 A 66 ALA H 1.0 . 5.05 1011 801 A 35 GLY HA2 A 36 ASP HB2 1.0 . 5.34 1012 801 A 35 GLY HA3 A 36 ASP HB2 1.0 . 5.34 1013 801 A 36 ASP HB3 A 35 GLY HA2 1.0 . 5.34 1014 801 A 35 GLY HA3 A 36 ASP HB3 1.0 . 5.34 1015 802 A 38 PHE H A 38 PHE HBx 1.0 . 3.06 1016 802 A 38 PHE H A 38 PHE HBy 1.0 . 3.06 1017 803 A 38 PHE HA A 39 LYS HD2 1.0 . 4.09 1018 803 A 38 PHE HA A 39 LYS HD3 1.0 . 4.09 1019 804 A 39 LYS H A 39 LYS HB2 1.0 . 3.04 1020 804 A 39 LYS H A 39 LYS HB3 1.0 . 3.04 1021 805 A 39 LYS H A 39 LYS HD2 1.0 . 4.16 1022 805 A 39 LYS H A 39 LYS HD3 1.0 . 4.16 1023 806 A 39 LYS HA A 39 LYS HD2 1.0 . 4.30 1024 806 A 39 LYS HA A 39 LYS HD3 1.0 . 4.30 1025 807 A 41 LEU H A 40 SER HB3 1.0 . 3.76 1026 807 A 41 LEU H A 40 SER HB2 1.0 . 3.76 1027 808 A 41 LEU H A 41 LEU HD2% 1.0 . 5.03 1028 808 A 41 LEU H A 41 LEU HD1% 1.0 . 5.03 1029 809 A 41 LEU HA A 41 LEU HD2% 1.0 . 3.09 1030 809 A 41 LEU HA A 41 LEU HD1% 1.0 . 3.09 1031 810 A 41 LEU HA A 42 ASP HB3 1.0 . 4.71 1032 810 A 41 LEU HA A 42 ASP HB2 1.0 . 4.71 1033 811 A 41 LEU HB3 A 41 LEU HD2% 1.0 . 2.85 1034 811 A 41 LEU HB2 A 41 LEU HD2% 1.0 . 2.85 1035 811 A 41 LEU HD1% A 41 LEU HB3 1.0 . 2.85 1036 811 A 41 LEU HD1% A 41 LEU HB2 1.0 . 2.85 1037 812 A 42 ASP H A 41 LEU HB3 1.0 . 3.20 1038 812 A 42 ASP H A 41 LEU HB2 1.0 . 3.20 1039 813 A 41 LEU HB2 A 45 GLN HG2 1.0 . 5.05 1040 813 A 41 LEU HB3 A 45 GLN HG2 1.0 . 5.05 1041 813 A 45 GLN HG3 A 41 LEU HB3 1.0 . 5.05 1042 813 A 45 GLN HG3 A 41 LEU HB2 1.0 . 5.05 1043 814 A 42 ASP H A 41 LEU HD2% 1.0 . 3.40 1044 814 A 42 ASP H A 41 LEU HD1% 1.0 . 3.40 1045 815 A 41 LEU HD1% A 45 GLN HG2 1.0 . 3.83 1046 815 A 41 LEU HD2% A 45 GLN HG2 1.0 . 3.83 1047 815 A 45 GLN HG3 A 41 LEU HD2% 1.0 . 3.83 1048 815 A 45 GLN HG3 A 41 LEU HD1% 1.0 . 3.83 1049 816 A 41 LEU HD2% A 45 GLN HE22 1.0 . 4.86 1050 816 A 45 GLN HE21 A 41 LEU HD2% 1.0 . 4.86 1051 816 A 41 LEU HD1% A 45 GLN HE21 1.0 . 4.86 1052 816 A 41 LEU HD1% A 45 GLN HE22 1.0 . 4.86 1053 817 A 47 VAL HG1% A 41 LEU HD2% 1.0 . 3.53 1054 817 A 47 VAL HG1% A 41 LEU HD1% 1.0 . 3.53 1055 818 A 47 VAL HG2% A 41 LEU HD2% 1.0 . 4.03 1056 818 A 47 VAL HG2% A 41 LEU HD1% 1.0 . 4.03 1057 819 A 42 ASP H A 42 ASP HB3 1.0 . 2.91 1058 819 A 42 ASP H A 42 ASP HB2 1.0 . 2.91 1059 820 A 42 ASP HA A 43 GLU HB3 1.0 . 4.74 1060 820 A 42 ASP HA A 43 GLU HB2 1.0 . 4.74 1061 821 A 43 GLU H A 42 ASP HB3 1.0 . 3.55 1062 821 A 43 GLU H A 42 ASP HB2 1.0 . 3.55 1063 822 A 45 GLN H A 42 ASP HB3 1.0 . 4.41 1064 822 A 45 GLN H A 42 ASP HB2 1.0 . 4.41 1065 823 A 45 GLN HB3 A 42 ASP HB3 1.0 . 4.35 1066 823 A 45 GLN HB3 A 42 ASP HB2 1.0 . 4.35 1067 824 A 43 GLU H A 43 GLU HG3 1.0 . 4.47 1068 824 A 43 GLU H A 43 GLU HG2 1.0 . 4.47 1069 825 A 44 GLY H A 43 GLU HB3 1.0 . 4.48 1070 825 A 44 GLY H A 43 GLU HB2 1.0 . 4.48 1071 826 A 47 VAL HA A 63 VAL HG2% 1.0 . 4.76 1072 826 A 47 VAL HA A 63 VAL HG1% 1.0 . 4.76 1073 827 A 47 VAL HB A 63 VAL HG2% 1.0 . 3.44 1074 827 A 47 VAL HB A 63 VAL HG1% 1.0 . 3.44 1075 828 A 48 THR H A 63 VAL HG2% 1.0 . 3.59 1076 828 A 48 THR H A 63 VAL HG1% 1.0 . 3.59 1077 829 A 48 THR HA A 63 VAL HG2% 1.0 . 5.17 1078 829 A 48 THR HA A 63 VAL HG1% 1.0 . 5.17 1079 830 A 49 PHE HA A 63 VAL HG2% 1.0 . 4.23 1080 830 A 49 PHE HA A 63 VAL HG1% 1.0 . 4.23 1081 831 A 49 PHE HB2 A 63 VAL HG2% 1.0 . 3.57 1082 831 A 49 PHE HB2 A 63 VAL HG1% 1.0 . 3.57 1083 832 A 49 PHE HB3 A 63 VAL HG2% 1.0 . 3.37 1084 832 A 49 PHE HB3 A 63 VAL HG1% 1.0 . 3.37 1085 833 A 49 PHE HD1 A 63 VAL HG2% 1.0 . 3.86 1086 833 A 49 PHE HD1 A 63 VAL HG1% 1.0 . 3.86 1087 834 A 50 ASP H A 62 ASN HB2 1.0 . 3.77 1088 834 A 50 ASP H A 62 ASN HB3 1.0 . 3.77 1089 835 A 50 ASP H A 63 VAL HG2% 1.0 . 4.66 1090 835 A 50 ASP H A 63 VAL HG1% 1.0 . 4.66 1091 836 A 51 VAL H A 51 VAL HG2% 1.0 . 3.08 1092 836 A 51 VAL H A 51 VAL HG1% 1.0 . 3.08 1093 837 A 52 GLU H A 51 VAL HG2% 1.0 . 3.16 1094 837 A 52 GLU H A 51 VAL HG1% 1.0 . 3.16 1095 838 A 51 VAL HG2% A 58 PRO HB2 1.0 . 3.16 1096 838 A 51 VAL HG1% A 58 PRO HB2 1.0 . 3.16 1097 838 A 58 PRO HB3 A 51 VAL HG2% 1.0 . 3.16 1098 838 A 51 VAL HG1% A 58 PRO HB3 1.0 . 3.16 1099 839 A 59 GLN H A 51 VAL HG2% 1.0 . 4.19 1100 839 A 59 GLN H A 51 VAL HG1% 1.0 . 4.19 1101 840 A 61 ALA H A 51 VAL HG2% 1.0 . 5.17 1102 840 A 61 ALA H A 51 VAL HG1% 1.0 . 5.17 1103 841 A 52 GLU HA A 52 GLU HG3 1.0 . 3.51 1104 841 A 52 GLU HA A 52 GLU HG2 1.0 . 3.51 1105 842 A 52 GLU HB3 A 52 GLU HG3 1.0 . 2.42 1106 842 A 52 GLU HB3 A 52 GLU HG2 1.0 . 2.42 1107 843 A 53 GLU H A 53 GLU HB2 1.0 . 2.88 1108 843 A 53 GLU H A 53 GLU HB3 1.0 . 2.88 1109 844 A 53 GLU H A 53 GLU HG2 1.0 . 4.32 1110 844 A 53 GLU H A 53 GLU HG3 1.0 . 4.32 1111 845 A 53 GLU HB2 A 53 GLU HG2 1.0 . 2.27 1112 845 A 53 GLU HB3 A 53 GLU HG2 1.0 . 2.27 1113 845 A 53 GLU HG3 A 53 GLU HB2 1.0 . 2.27 1114 845 A 53 GLU HB3 A 53 GLU HG3 1.0 . 2.27 1115 846 A 54 GLY H A 53 GLU HB2 1.0 . 4.32 1116 846 A 54 GLY H A 53 GLU HB3 1.0 . 4.32 1117 847 A 54 GLY H A 53 GLU HG2 1.0 . 3.91 1118 847 A 54 GLY H A 53 GLU HG3 1.0 . 3.91 1119 848 A 55 GLN H A 55 GLN HB2 1.0 . 2.69 1120 848 A 55 GLN H A 55 GLN HB3 1.0 . 2.69 1121 849 A 55 GLN HA A 56 ARG HB2 1.0 . 5.34 1122 849 A 55 GLN HA A 56 ARG HB3 1.0 . 5.34 1123 850 A 56 ARG H A 55 GLN HB2 1.0 . 3.43 1124 850 A 56 ARG H A 55 GLN HB3 1.0 . 3.43 1125 851 A 56 ARG H A 56 ARG HB2 1.0 . 3.04 1126 851 A 56 ARG H A 56 ARG HB3 1.0 . 3.04 1127 852 A 57 GLY H A 58 PRO HD2 1.0 . 4.75 1128 852 A 57 GLY H A 58 PRO HD3 1.0 . 4.75 1129 853 A 59 GLN H A 58 PRO HB2 1.0 . 3.75 1130 853 A 59 GLN H A 58 PRO HB3 1.0 . 3.75 1131 854 A 59 GLN H A 58 PRO HD2 1.0 . 4.96 1132 854 A 59 GLN H A 58 PRO HD3 1.0 . 4.96 1133 855 A 59 GLN H A 59 GLN HB2 1.0 . 3.61 1134 855 A 59 GLN H A 59 GLN HB3 1.0 . 3.61 1135 856 A 59 GLN HA A 59 GLN HE22 1.0 . 4.57 1136 856 A 59 GLN HA A 59 GLN HE21 1.0 . 4.57 1137 857 A 60 ALA H A 59 GLN HB2 1.0 . 3.42 1138 857 A 60 ALA H A 59 GLN HB3 1.0 . 3.42 1139 858 A 60 ALA HB% A 63 VAL HG2% 1.0 . 3.51 1140 858 A 60 ALA HB% A 63 VAL HG1% 1.0 . 3.51 1141 859 A 61 ALA H A 63 VAL HG2% 1.0 . 4.13 1142 859 A 61 ALA H A 63 VAL HG1% 1.0 . 4.13 1143 860 A 61 ALA HA A 63 VAL HG2% 1.0 . 4.33 1144 860 A 61 ALA HA A 63 VAL HG1% 1.0 . 4.33 1145 861 A 62 ASN H A 62 ASN HB2 1.0 . 3.53 1146 861 A 62 ASN H A 62 ASN HB3 1.0 . 3.53 1147 862 A 62 ASN H A 63 VAL HG2% 1.0 . 4.15 1148 862 A 62 ASN H A 63 VAL HG1% 1.0 . 4.15 1149 863 A 62 ASN HD22 A 62 ASN HB3 1.0 . 3.07 1150 863 A 62 ASN HD22 A 62 ASN HB2 1.0 . 3.07 1151 863 A 62 ASN HD21 A 62 ASN HB3 1.0 . 3.07 1152 863 A 62 ASN HD21 A 62 ASN HB2 1.0 . 3.07 1153 864 A 63 VAL H A 63 VAL HG2% 1.0 . 2.84 1154 864 A 63 VAL H A 63 VAL HG1% 1.0 . 2.84 1155 865 A 63 VAL HA A 63 VAL HG2% 1.0 . 2.87 1156 865 A 63 VAL HA A 63 VAL HG1% 1.0 . 2.87 1157 866 A 64 GLN H A 63 VAL HG2% 1.0 . 3.15 1158 866 A 64 GLN H A 63 VAL HG1% 1.0 . 3.15 1159 867 A 64 GLN H A 64 GLN HG2 1.0 . 4.68 1160 867 A 64 GLN H A 64 GLN HG3 1.0 . 4.68 1161 868 A 64 GLN HA A 64 GLN HG2 1.0 . 3.69 1162 868 A 64 GLN HA A 64 GLN HG3 1.0 . 3.69 1163 869 A 64 GLN HA A 64 GLN HE22 1.0 . 3.82 1164 869 A 64 GLN HA A 64 GLN HE21 1.0 . 3.82 1165 870 A 64 GLN HB3 A 64 GLN HE22 1.0 . 4.41 1166 870 A 64 GLN HB3 A 64 GLN HE21 1.0 . 4.41 1167 871 A 65 LYS H A 64 GLN HG2 1.0 . 3.61 1168 871 A 65 LYS H A 64 GLN HG3 1.0 . 3.61 stop_ save_