data_nef_c19013_2m4m save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code TargetDB NYSGRC-019428 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 SER middle . . 3 A 3 LEU middle . . 4 A 4 GLY middle . false 5 A 5 SER middle . . 6 A 6 GLU middle . . 7 A 7 SER middle . . 8 A 8 GLU middle . . 9 A 9 THR middle . . 10 A 10 GLY middle . false 11 A 11 ASN middle . . 12 A 12 ALA middle . . 13 A 13 VAL middle . . 14 A 14 VAL middle . . 15 A 15 VAL middle . . 16 A 16 PHE middle . . 17 A 17 GLY middle . false 18 A 18 TYR middle . . 19 A 19 ARG middle . . 20 A 20 GLU middle . . 21 A 21 ALA middle . . 22 A 22 ILE middle . . 23 A 23 THR middle . . 24 A 24 LYS middle . . 25 A 25 GLN middle . . 26 A 26 ILE middle . . 27 A 27 LEU middle . . 28 A 28 ALA middle . . 29 A 29 TYR middle . . 30 A 30 PHE middle . . 31 A 31 ALA middle . . 32 A 32 GLN middle . . 33 A 33 PHE middle . . 34 A 34 GLY middle . false 35 A 35 GLU middle . . 36 A 36 ILE middle . . 37 A 37 LEU middle . . 38 A 38 GLU middle . . 39 A 39 ASP middle . . 40 A 40 LEU middle . . 41 A 41 GLU middle . . 42 A 42 SER middle . . 43 A 43 GLU middle . . 44 A 44 LEU middle . . 45 A 45 GLY middle . false 46 A 46 ASP middle . . 47 A 47 THR middle . . 48 A 48 GLU middle . . 49 A 49 THR middle . . 50 A 50 MET middle . . 51 A 51 ARG middle . . 52 A 52 THR middle . . 53 A 53 PRO middle . false 54 A 54 GLY middle . false 55 A 55 TYR middle . . 56 A 56 PHE middle . . 57 A 57 PHE middle . . 58 A 58 GLN middle . . 59 A 59 GLN middle . . 60 A 60 ALA middle . . 61 A 61 PRO middle . false 62 A 62 ASN middle . . 63 A 63 ARG middle . . 64 A 64 ARG middle . . 65 A 65 ARG middle . . 66 A 66 ILE middle . . 67 A 67 SER middle . . 68 A 68 ARG middle . . 69 A 69 GLU middle . . 70 A 70 HIS middle . . 71 A 71 GLY middle . false 72 A 72 ARG middle . . 73 A 73 THR middle . . 74 A 74 TRP middle . . 75 A 75 THR middle . . 76 A 76 LYS middle . . 77 A 77 LEU middle . . 78 A 78 THR middle . . 79 A 79 TYR middle . . 80 A 80 ALA middle . . 81 A 81 ASN middle . . 82 A 82 HIS middle . . 83 A 83 SER middle . . 84 A 84 SER middle . . 85 A 85 TYR middle . . 86 A 86 LEU middle . . 87 A 87 ARG middle . . 88 A 88 ALA middle . . 89 A 89 LEU middle . . 90 A 90 ARG middle . . 91 A 91 GLU middle . . 92 A 92 HIS middle . . 93 A 93 GLY middle . false 94 A 94 THR middle . . 95 A 95 ILE middle . . 96 A 96 TYR middle . . 97 A 97 CYS middle . . 98 A 98 GLY middle . false 99 A 99 ALA middle . . 100 A 100 ALA middle . . 101 A 101 ILE middle . . 102 A 102 GLY middle . false 103 A 103 CYS middle . . 104 A 104 VAL middle . . 105 A 105 PRO middle . false 106 A 106 TYR middle . . 107 A 107 LYS middle . . 108 A 108 HIS middle . . 109 A 109 GLU middle . . 110 A 110 LEU middle . . 111 A 111 ILE middle . . 112 A 112 SER middle . . 113 A 113 GLU middle . . 114 A 114 LEU middle . . 115 A 115 SER middle . . 116 A 116 ARG middle . . 117 A 117 GLU middle . . 118 A 118 GLY middle . false 119 A 119 HIS middle . . 120 A 120 HIS middle . . 121 A 121 HIS middle . . 122 A 122 HIS middle . . 123 A 123 HIS middle . . 124 A 124 HIS 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 HA H 1 4.167 0.005 A 2 SER HB2 H 1 4.000 0.005 A 2 SER HB3 H 1 4.000 0.005 A 2 SER C C 13 170.960 0.001 A 2 SER CA C 13 57.139 0.004 A 2 SER CB C 13 63.027 0.037 A 3 LEU H H 1 8.788 0.001 A 3 LEU HA H 1 4.415 0.002 A 3 LEU HB2 H 1 1.659 0.013 A 3 LEU HB3 H 1 1.659 0.013 A 3 LEU HDx% H 1 0.938 0.010 A 3 LEU HDy% H 1 0.899 0.004 A 3 LEU HG H 1 1.658 0.010 A 3 LEU C C 13 177.886 0.003 A 3 LEU CA C 13 55.625 0.006 A 3 LEU CB C 13 42.334 0.014 A 3 LEU CDy C 13 24.767 0.010 A 3 LEU CDx C 13 23.558 0.010 A 3 LEU CG C 13 26.960 0.010 A 3 LEU N N 15 123.102 0.029 A 4 GLY H H 1 8.636 0.001 A 4 GLY HA2 H 1 4.003 0.010 A 4 GLY HA3 H 1 4.003 0.010 A 4 GLY C C 13 174.473 0.005 A 4 GLY CA C 13 45.270 0.003 A 4 GLY N N 15 110.546 0.014 A 5 SER H H 1 8.249 0.001 A 5 SER HA H 1 4.472 0.002 A 5 SER HBx H 1 3.861 0.001 A 5 SER HBy H 1 3.933 0.003 A 5 SER C C 13 175.085 0.004 A 5 SER CA C 13 58.419 0.004 A 5 SER CB C 13 63.648 0.004 A 5 SER N N 15 115.839 0.013 A 6 GLU H H 1 8.650 0.001 A 6 GLU HA H 1 4.340 0.002 A 6 GLU HBx H 1 2.004 0.006 A 6 GLU HBy H 1 2.118 0.002 A 6 GLU HG2 H 1 2.304 0.007 A 6 GLU HG3 H 1 2.304 0.007 A 6 GLU C C 13 176.767 0.004 A 6 GLU CA C 13 57.020 0.010 A 6 GLU CB C 13 29.785 0.018 A 6 GLU CG C 13 36.254 0.010 A 6 GLU N N 15 122.855 0.022 A 7 SER H H 1 8.301 0.001 A 7 SER HA H 1 4.444 0.010 A 7 SER HBx H 1 3.849 0.010 A 7 SER HBy H 1 3.916 0.010 A 7 SER C C 13 174.946 0.007 A 7 SER CA C 13 58.587 0.004 A 7 SER CB C 13 63.645 0.002 A 7 SER N N 15 116.046 0.017 A 8 GLU H H 1 8.463 0.001 A 8 GLU HA H 1 4.372 0.004 A 8 GLU HBx H 1 2.032 0.003 A 8 GLU HBy H 1 2.135 0.005 A 8 GLU HG2 H 1 2.306 0.003 A 8 GLU HG3 H 1 2.309 0.001 A 8 GLU C C 13 176.929 0.003 A 8 GLU CA C 13 56.902 0.011 A 8 GLU CB C 13 29.837 0.007 A 8 GLU CG C 13 36.254 0.010 A 8 GLU N N 15 122.758 0.020 A 9 THR H H 1 8.121 0.002 A 9 THR HA H 1 4.295 0.003 A 9 THR HB H 1 4.290 0.001 A 9 THR HG2% H 1 1.216 0.008 A 9 THR C C 13 175.371 0.011 A 9 THR CA C 13 62.279 0.021 A 9 THR CB C 13 69.828 0.069 A 9 THR CG2 C 13 21.689 0.010 A 9 THR N N 15 113.221 0.025 A 10 GLY H H 1 8.257 0.002 A 10 GLY HA2 H 1 3.877 0.010 A 10 GLY HA3 H 1 3.877 0.010 A 10 GLY C C 13 173.283 0.005 A 10 GLY CA C 13 45.731 0.004 A 10 GLY N N 15 110.774 0.016 A 11 ASN H H 1 8.240 0.002 A 11 ASN HA H 1 4.267 0.005 A 11 ASN HBx H 1 2.892 0.010 A 11 ASN HBy H 1 3.094 0.003 A 11 ASN HD21 H 1 7.175 0.001 A 11 ASN HD22 H 1 6.945 0.005 A 11 ASN C C 13 174.352 0.008 A 11 ASN CA C 13 52.467 0.019 A 11 ASN CB C 13 39.483 0.005 A 11 ASN N N 15 116.215 0.028 A 11 ASN ND2 N 15 112.518 0.048 A 12 ALA H H 1 7.960 0.002 A 12 ALA HA H 1 5.985 0.003 A 12 ALA HB% H 1 1.342 0.003 A 12 ALA C C 13 177.325 0.005 A 12 ALA CA C 13 50.537 0.014 A 12 ALA CB C 13 21.830 0.030 A 12 ALA N N 15 121.979 0.027 A 13 VAL H H 1 9.576 0.003 A 13 VAL HA H 1 5.326 0.003 A 13 VAL HB H 1 2.260 0.004 A 13 VAL HGx% H 1 0.898 0.008 A 13 VAL HGy% H 1 0.933 0.005 A 13 VAL C C 13 175.275 0.004 A 13 VAL CA C 13 58.762 0.008 A 13 VAL CB C 13 35.161 0.008 A 13 VAL CGx C 13 19.341 0.028 A 13 VAL CGy C 13 23.716 0.026 A 13 VAL N N 15 116.191 0.032 A 14 VAL H H 1 9.362 0.002 A 14 VAL HA H 1 5.238 0.003 A 14 VAL HB H 1 1.912 0.003 A 14 VAL HGx% H 1 0.964 0.002 A 14 VAL HGy% H 1 1.052 0.002 A 14 VAL C C 13 174.716 0.002 A 14 VAL CA C 13 61.296 0.021 A 14 VAL CB C 13 34.380 0.010 A 14 VAL CGx C 13 21.745 0.010 A 14 VAL CGy C 13 23.734 0.017 A 14 VAL N N 15 119.334 0.017 A 15 VAL H H 1 9.131 0.003 A 15 VAL HA H 1 5.308 0.006 A 15 VAL HB H 1 1.747 0.006 A 15 VAL HGx% H 1 0.894 0.006 A 15 VAL HGy% H 1 0.179 0.002 A 15 VAL C C 13 176.256 0.010 A 15 VAL CA C 13 60.155 0.009 A 15 VAL CB C 13 33.301 0.035 A 15 VAL CGy C 13 22.033 0.022 A 15 VAL CGx C 13 20.746 0.007 A 15 VAL N N 15 127.812 0.022 A 16 PHE H H 1 8.997 0.002 A 16 PHE HA H 1 5.919 0.007 A 16 PHE HBy H 1 3.447 0.005 A 16 PHE HBx H 1 3.043 0.007 A 16 PHE HDx H 1 7.087 0.007 A 16 PHE HDy H 1 7.087 0.007 A 16 PHE HEx H 1 7.354 0.008 A 16 PHE HEy H 1 7.354 0.008 A 16 PHE HZ H 1 7.423 0.010 A 16 PHE C C 13 174.623 0.001 A 16 PHE CA C 13 56.135 0.015 A 16 PHE CB C 13 42.093 0.026 A 16 PHE CDx C 13 132.911 0.039 A 16 PHE CDy C 13 132.911 0.039 A 16 PHE CEx C 13 131.163 0.019 A 16 PHE CEy C 13 131.163 0.019 A 16 PHE CZ C 13 129.580 0.032 A 16 PHE N N 15 122.243 0.036 A 17 GLY H H 1 8.714 0.003 A 17 GLY HAy H 1 4.570 0.004 A 17 GLY HAx H 1 3.945 0.010 A 17 GLY C C 13 174.023 0.001 A 17 GLY CA C 13 44.961 0.028 A 17 GLY N N 15 106.894 0.027 A 18 TYR H H 1 6.977 0.003 A 18 TYR HA H 1 4.866 0.005 A 18 TYR HBx H 1 2.648 0.007 A 18 TYR HBy H 1 3.021 0.006 A 18 TYR HDx H 1 6.765 0.007 A 18 TYR HDy H 1 6.765 0.007 A 18 TYR HEx H 1 6.652 0.004 A 18 TYR HEy H 1 6.652 0.004 A 18 TYR C C 13 173.847 0.006 A 18 TYR CA C 13 53.165 0.008 A 18 TYR CB C 13 39.831 0.032 A 18 TYR CDx C 13 133.925 0.040 A 18 TYR CDy C 13 133.925 0.040 A 18 TYR CEx C 13 117.684 0.027 A 18 TYR CEy C 13 117.684 0.027 A 18 TYR N N 15 115.205 0.024 A 19 ARG H H 1 7.681 0.003 A 19 ARG HA H 1 4.455 0.002 A 19 ARG HBy H 1 2.013 0.006 A 19 ARG HBx H 1 1.887 0.013 A 19 ARG HD2 H 1 3.323 0.003 A 19 ARG HD3 H 1 3.323 0.003 A 19 ARG HE H 1 7.401 0.002 A 19 ARG HGx H 1 1.745 0.005 A 19 ARG HGy H 1 1.834 0.004 A 19 ARG C C 13 177.198 0.002 A 19 ARG CA C 13 54.928 0.022 A 19 ARG CB C 13 30.721 0.016 A 19 ARG CD C 13 43.369 0.008 A 19 ARG CG C 13 28.084 0.025 A 19 ARG N N 15 116.814 0.030 A 19 ARG NE N 15 84.675 0.039 A 20 GLU H H 1 9.104 0.002 A 20 GLU HA H 1 4.057 0.003 A 20 GLU HB2 H 1 2.087 0.004 A 20 GLU HB3 H 1 2.087 0.004 A 20 GLU HGy H 1 2.505 0.003 A 20 GLU HGx H 1 2.375 0.005 A 20 GLU C C 13 180.643 0.002 A 20 GLU CA C 13 59.529 0.024 A 20 GLU CB C 13 29.863 0.025 A 20 GLU CG C 13 35.794 0.042 A 20 GLU N N 15 125.261 0.025 A 21 ALA H H 1 8.825 0.002 A 21 ALA HA H 1 4.354 0.006 A 21 ALA HB% H 1 1.534 0.002 A 21 ALA C C 13 179.291 0.007 A 21 ALA CA C 13 54.680 0.049 A 21 ALA CB C 13 19.410 0.009 A 21 ALA N N 15 119.760 0.030 A 22 ILE H H 1 7.743 0.003 A 22 ILE HA H 1 5.175 0.003 A 22 ILE HB H 1 2.357 0.009 A 22 ILE HD1% H 1 1.084 0.005 A 22 ILE HG12 H 1 1.500 0.007 A 22 ILE HG13 H 1 1.500 0.007 A 22 ILE HG2% H 1 0.962 0.004 A 22 ILE C C 13 175.636 0.002 A 22 ILE CA C 13 60.231 0.004 A 22 ILE CB C 13 38.445 0.010 A 22 ILE CD1 C 13 15.607 0.014 A 22 ILE CG1 C 13 27.479 0.044 A 22 ILE CG2 C 13 17.672 0.020 A 22 ILE N N 15 109.751 0.030 A 23 THR H H 1 7.731 0.003 A 23 THR HA H 1 3.375 0.003 A 23 THR HB H 1 4.265 0.008 A 23 THR HG2% H 1 1.066 0.008 A 23 THR C C 13 175.159 0.007 A 23 THR CA C 13 68.267 0.021 A 23 THR CB C 13 69.564 0.049 A 23 THR CG2 C 13 20.050 0.013 A 23 THR N N 15 118.763 0.016 A 24 LYS H H 1 8.869 0.002 A 24 LYS HA H 1 3.663 0.003 A 24 LYS HBy H 1 1.818 0.001 A 24 LYS HBx H 1 1.727 0.010 A 24 LYS HD2 H 1 1.710 0.008 A 24 LYS HD3 H 1 1.709 0.007 A 24 LYS HE2 H 1 3.010 0.002 A 24 LYS HE3 H 1 3.010 0.002 A 24 LYS HGx H 1 1.327 0.003 A 24 LYS HGy H 1 1.555 0.002 A 24 LYS C C 13 178.421 0.007 A 24 LYS CA C 13 61.054 0.040 A 24 LYS CB C 13 31.781 0.005 A 24 LYS CD C 13 29.358 0.025 A 24 LYS CE C 13 41.813 0.007 A 24 LYS CG C 13 26.079 0.029 A 24 LYS N N 15 118.723 0.021 A 25 GLN H H 1 7.934 0.002 A 25 GLN HA H 1 4.043 0.004 A 25 GLN HB2 H 1 2.323 0.006 A 25 GLN HB3 H 1 2.323 0.006 A 25 GLN HE21 H 1 7.480 0.001 A 25 GLN HE22 H 1 6.819 0.002 A 25 GLN HGx H 1 2.387 0.004 A 25 GLN HGy H 1 2.601 0.003 A 25 GLN C C 13 179.248 0.006 A 25 GLN CA C 13 59.680 0.047 A 25 GLN CB C 13 28.245 0.007 A 25 GLN CG C 13 35.106 0.026 A 25 GLN N N 15 118.276 0.026 A 25 GLN NE2 N 15 111.158 0.025 A 26 ILE H H 1 8.067 0.005 A 26 ILE HA H 1 3.769 0.003 A 26 ILE HB H 1 1.737 0.004 A 26 ILE HD1% H 1 0.472 0.002 A 26 ILE HG1y H 1 1.234 0.003 A 26 ILE HG1x H 1 0.599 0.006 A 26 ILE HG2% H 1 0.369 0.002 A 26 ILE C C 13 177.797 0.006 A 26 ILE CA C 13 62.178 0.029 A 26 ILE CB C 13 35.591 0.059 A 26 ILE CD1 C 13 10.059 0.015 A 26 ILE CG1 C 13 26.776 0.015 A 26 ILE CG2 C 13 15.943 0.014 A 26 ILE N N 15 122.000 0.037 A 27 LEU H H 1 8.277 0.003 A 27 LEU HA H 1 3.918 0.003 A 27 LEU HBx H 1 1.225 0.005 A 27 LEU HBy H 1 1.912 0.007 A 27 LEU HDx% H 1 0.594 0.005 A 27 LEU HDy% H 1 0.667 0.003 A 27 LEU C C 13 178.173 0.033 A 27 LEU CA C 13 58.307 0.017 A 27 LEU CB C 13 41.087 0.019 A 27 LEU CDy C 13 25.600 0.017 A 27 LEU CDx C 13 22.778 0.009 A 27 LEU N N 15 119.685 0.027 A 28 ALA H H 1 7.856 0.002 A 28 ALA HA H 1 3.862 0.002 A 28 ALA HB% H 1 1.430 0.002 A 28 ALA C C 13 179.693 0.007 A 28 ALA CA C 13 54.902 0.021 A 28 ALA CB C 13 18.116 0.019 A 28 ALA N N 15 118.927 0.039 A 29 TYR H H 1 8.009 0.002 A 29 TYR HA H 1 3.922 0.006 A 29 TYR HBx H 1 2.976 0.008 A 29 TYR HBy H 1 3.013 0.009 A 29 TYR HDx H 1 6.414 0.008 A 29 TYR HDy H 1 6.414 0.008 A 29 TYR HEx H 1 6.464 0.002 A 29 TYR HEy H 1 6.464 0.002 A 29 TYR C C 13 178.234 0.018 A 29 TYR CA C 13 61.136 0.015 A 29 TYR CB C 13 38.376 0.022 A 29 TYR CDx C 13 132.981 0.092 A 29 TYR CDy C 13 132.981 0.092 A 29 TYR CEx C 13 116.781 0.050 A 29 TYR CEy C 13 116.781 0.050 A 29 TYR N N 15 119.687 0.051 A 30 PHE H H 1 8.169 0.002 A 30 PHE HA H 1 3.929 0.004 A 30 PHE HBy H 1 3.347 0.008 A 30 PHE HBx H 1 2.687 0.005 A 30 PHE HDx H 1 7.928 0.007 A 30 PHE HDy H 1 7.928 0.007 A 30 PHE HEx H 1 7.449 0.008 A 30 PHE HEy H 1 7.449 0.008 A 30 PHE HZ H 1 7.209 0.011 A 30 PHE C C 13 180.031 0.013 A 30 PHE CA C 13 61.815 0.057 A 30 PHE CB C 13 37.951 0.031 A 30 PHE CDx C 13 131.444 0.139 A 30 PHE CDy C 13 131.444 0.139 A 30 PHE CEx C 13 132.279 0.037 A 30 PHE CEy C 13 132.279 0.037 A 30 PHE CZ C 13 128.560 0.030 A 30 PHE N N 15 115.353 0.020 A 31 ALA H H 1 8.438 0.001 A 31 ALA HA H 1 4.462 0.005 A 31 ALA HB% H 1 1.438 0.004 A 31 ALA C C 13 178.235 0.012 A 31 ALA CA C 13 53.794 0.021 A 31 ALA CB C 13 17.482 0.043 A 31 ALA N N 15 125.929 0.017 A 32 GLN H H 1 6.875 0.002 A 32 GLN HA H 1 3.956 0.003 A 32 GLN HBx H 1 1.472 0.010 A 32 GLN HBy H 1 1.630 0.012 A 32 GLN HE21 H 1 6.757 0.001 A 32 GLN HE22 H 1 6.200 0.001 A 32 GLN HG2 H 1 1.809 0.011 A 32 GLN HG3 H 1 1.809 0.011 A 32 GLN C C 13 177.465 0.014 A 32 GLN CA C 13 56.959 0.011 A 32 GLN CB C 13 29.085 0.006 A 32 GLN CG C 13 33.537 0.019 A 32 GLN N N 15 113.541 0.027 A 32 GLN NE2 N 15 111.802 0.027 A 33 PHE H H 1 6.824 0.004 A 33 PHE HA H 1 4.650 0.005 A 33 PHE HBy H 1 3.240 0.008 A 33 PHE HBx H 1 2.734 0.008 A 33 PHE HDx H 1 7.119 0.005 A 33 PHE HDy H 1 7.119 0.005 A 33 PHE HEx H 1 6.554 0.004 A 33 PHE HEy H 1 6.554 0.004 A 33 PHE HZ H 1 6.261 0.004 A 33 PHE C C 13 175.848 0.015 A 33 PHE CA C 13 57.066 0.039 A 33 PHE CB C 13 37.930 0.017 A 33 PHE CDx C 13 130.305 0.099 A 33 PHE CDy C 13 130.305 0.099 A 33 PHE CEx C 13 130.937 0.091 A 33 PHE CEy C 13 130.937 0.091 A 33 PHE CZ C 13 129.721 0.018 A 33 PHE N N 15 114.638 0.026 A 34 GLY H H 1 7.446 0.002 A 34 GLY HAy H 1 4.561 0.006 A 34 GLY HAx H 1 3.812 0.003 A 34 GLY C C 13 170.428 0.008 A 34 GLY CA C 13 44.564 0.026 A 34 GLY N N 15 106.452 0.043 A 35 GLU H H 1 8.415 0.001 A 35 GLU HA H 1 4.166 0.010 A 35 GLU HBy H 1 2.026 0.002 A 35 GLU HBx H 1 1.889 0.008 A 35 GLU HGy H 1 2.375 0.010 A 35 GLU HGx H 1 2.030 0.010 A 35 GLU C C 13 175.939 0.010 A 35 GLU CA C 13 57.385 0.002 A 35 GLU CB C 13 30.115 0.010 A 35 GLU CG C 13 35.877 0.001 A 35 GLU N N 15 118.228 0.031 A 36 ILE HA H 1 4.564 0.006 A 36 ILE HB H 1 1.612 0.004 A 36 ILE HD1% H 1 0.690 0.003 A 36 ILE HG1x H 1 0.059 0.004 A 36 ILE HG1y H 1 1.768 0.006 A 36 ILE HG2% H 1 1.083 0.004 A 36 ILE C C 13 176.530 0.019 A 36 ILE CA C 13 59.847 0.052 A 36 ILE CB C 13 41.594 0.063 A 36 ILE CD1 C 13 14.262 0.006 A 36 ILE CG1 C 13 29.197 0.011 A 36 ILE CG2 C 13 18.135 0.014 A 37 LEU H H 1 9.138 0.002 A 37 LEU HA H 1 4.089 0.009 A 37 LEU HB2 H 1 1.474 0.009 A 37 LEU HB3 H 1 1.474 0.009 A 37 LEU HDx% H 1 0.806 0.006 A 37 LEU HDy% H 1 0.768 0.004 A 37 LEU C C 13 178.470 0.003 A 37 LEU CA C 13 57.114 0.003 A 37 LEU CB C 13 42.176 0.019 A 37 LEU CDy C 13 25.177 0.018 A 37 LEU CDx C 13 22.478 0.012 A 37 LEU N N 15 125.464 0.019 A 38 GLU H H 1 8.996 0.003 A 38 GLU HA H 1 4.179 0.004 A 38 GLU HBy H 1 2.037 0.003 A 38 GLU HBx H 1 1.879 0.003 A 38 GLU C C 13 175.620 0.005 A 38 GLU CA C 13 58.630 0.041 A 38 GLU CB C 13 29.551 0.010 A 38 GLU N N 15 120.405 0.035 A 39 ASP H H 1 8.398 0.005 A 39 ASP HA H 1 4.502 0.002 A 39 ASP HBy H 1 2.835 0.006 A 39 ASP HBx H 1 2.483 0.002 A 39 ASP C C 13 176.811 0.005 A 39 ASP CA C 13 53.870 0.015 A 39 ASP CB C 13 40.381 0.022 A 39 ASP N N 15 117.746 0.051 A 40 LEU H H 1 8.719 0.002 A 40 LEU HA H 1 4.310 0.008 A 40 LEU HB2 H 1 1.448 0.007 A 40 LEU HB3 H 1 1.448 0.007 A 40 LEU HDx% H 1 0.827 0.004 A 40 LEU HDy% H 1 0.669 0.002 A 40 LEU HG H 1 1.743 0.002 A 40 LEU C C 13 177.950 0.004 A 40 LEU CA C 13 55.104 0.014 A 40 LEU CB C 13 41.706 0.003 A 40 LEU CDy C 13 25.848 0.007 A 40 LEU CDx C 13 23.716 0.005 A 40 LEU CG C 13 26.977 0.029 A 40 LEU N N 15 127.180 0.027 A 41 GLU H H 1 8.563 0.003 A 41 GLU HA H 1 3.930 0.006 A 41 GLU HBy H 1 2.085 0.013 A 41 GLU HBx H 1 2.065 0.007 A 41 GLU HG2 H 1 2.289 0.001 A 41 GLU HG3 H 1 2.289 0.001 A 41 GLU C C 13 178.353 0.016 A 41 GLU CA C 13 59.238 0.055 A 41 GLU CB C 13 29.391 0.004 A 41 GLU CG C 13 36.089 0.010 A 41 GLU N N 15 120.599 0.027 A 42 SER H H 1 8.301 0.003 A 42 SER HA H 1 4.209 0.002 A 42 SER HB2 H 1 3.804 0.002 A 42 SER HB3 H 1 3.804 0.002 A 42 SER C C 13 175.221 0.007 A 42 SER CA C 13 60.331 0.006 A 42 SER CB C 13 62.849 0.018 A 42 SER N N 15 114.356 0.021 A 43 GLU H H 1 7.926 0.002 A 43 GLU HA H 1 4.286 0.003 A 43 GLU HBx H 1 1.865 0.011 A 43 GLU HBy H 1 1.927 0.002 A 43 GLU HG2 H 1 2.134 0.003 A 43 GLU HG3 H 1 2.134 0.003 A 43 GLU C C 13 176.893 0.012 A 43 GLU CA C 13 57.593 0.015 A 43 GLU CB C 13 30.441 0.007 A 43 GLU CG C 13 36.370 0.016 A 43 GLU N N 15 119.711 0.042 A 44 LEU H H 1 8.145 0.002 A 44 LEU HA H 1 4.354 0.006 A 44 LEU HBx H 1 1.507 0.003 A 44 LEU HBy H 1 1.606 0.002 A 44 LEU HDx% H 1 0.795 0.008 A 44 LEU HDy% H 1 0.714 0.003 A 44 LEU C C 13 177.944 0.009 A 44 LEU CA C 13 54.941 0.015 A 44 LEU CB C 13 42.375 0.032 A 44 LEU CDx C 13 23.049 0.022 A 44 LEU CDy C 13 25.439 0.009 A 44 LEU N N 15 117.788 0.026 A 45 GLY H H 1 8.100 0.003 A 45 GLY HA2 H 1 3.970 0.010 A 45 GLY HA3 H 1 3.970 0.010 A 45 GLY C C 13 173.791 0.005 A 45 GLY CA C 13 45.637 0.002 A 45 GLY N N 15 108.349 0.042 A 46 ASP H H 1 8.255 0.002 A 46 ASP HA H 1 4.689 0.005 A 46 ASP HB2 H 1 2.713 0.002 A 46 ASP HB3 H 1 2.713 0.002 A 46 ASP C C 13 176.628 0.005 A 46 ASP CA C 13 54.021 0.026 A 46 ASP CB C 13 41.096 0.044 A 46 ASP N N 15 119.869 0.013 A 47 THR H H 1 8.156 0.002 A 47 THR HA H 1 4.258 0.008 A 47 THR HB H 1 4.179 0.010 A 47 THR HG2% H 1 1.196 0.009 A 47 THR C C 13 175.277 0.005 A 47 THR CA C 13 62.715 0.028 A 47 THR CB C 13 69.504 0.019 A 47 THR CG2 C 13 21.645 0.018 A 47 THR N N 15 113.962 0.021 A 48 GLU H H 1 8.450 0.002 A 48 GLU HA H 1 4.235 0.004 A 48 GLU HBx H 1 2.026 0.005 A 48 GLU HBy H 1 2.060 0.021 A 48 GLU HG2 H 1 2.282 0.011 A 48 GLU HG3 H 1 2.282 0.011 A 48 GLU C C 13 177.221 0.005 A 48 GLU CA C 13 57.505 0.035 A 48 GLU CB C 13 29.718 0.051 A 48 GLU CG C 13 36.276 0.010 A 48 GLU N N 15 121.748 0.016 A 49 THR H H 1 8.019 0.002 A 49 THR HA H 1 4.160 0.003 A 49 THR HB H 1 4.151 0.003 A 49 THR HG2% H 1 1.158 0.005 A 49 THR C C 13 174.979 0.011 A 49 THR CA C 13 62.989 0.039 A 49 THR CB C 13 69.198 0.033 A 49 THR CG2 C 13 21.855 0.032 A 49 THR N N 15 113.781 0.024 A 50 MET H H 1 8.086 0.001 A 50 MET HA H 1 4.295 0.008 A 50 MET HBx H 1 1.956 0.002 A 50 MET HBy H 1 2.021 0.007 A 50 MET HE% H 1 1.995 0.005 A 50 MET HGy H 1 2.512 0.001 A 50 MET HGx H 1 2.345 0.001 A 50 MET C C 13 175.846 0.004 A 50 MET CA C 13 55.981 0.044 A 50 MET CB C 13 32.549 0.043 A 50 MET CE C 13 16.890 0.010 A 50 MET CG C 13 32.076 0.007 A 50 MET N N 15 121.133 0.018 A 51 ARG H H 1 8.078 0.001 A 51 ARG HA H 1 4.338 0.004 A 51 ARG HBy H 1 1.823 0.004 A 51 ARG HBx H 1 1.746 0.005 A 51 ARG HDy H 1 3.083 0.008 A 51 ARG HDx H 1 3.053 0.008 A 51 ARG HE H 1 7.191 0.001 A 51 ARG HGx H 1 1.525 0.005 A 51 ARG HGy H 1 1.593 0.006 A 51 ARG C C 13 176.213 0.015 A 51 ARG CA C 13 55.879 0.024 A 51 ARG CB C 13 30.606 0.029 A 51 ARG CD C 13 43.136 0.024 A 51 ARG CG C 13 27.075 0.109 A 51 ARG N N 15 120.641 0.021 A 51 ARG NE N 15 84.790 0.025 A 52 THR H H 1 8.010 0.003 A 52 THR HA H 1 4.564 0.004 A 52 THR HB H 1 4.164 0.003 A 52 THR HG2% H 1 1.211 0.007 A 52 THR C C 13 172.814 0.010 A 52 THR CA C 13 59.828 0.050 A 52 THR CB C 13 69.498 0.030 A 52 THR CG2 C 13 21.501 0.020 A 52 THR N N 15 116.663 0.042 A 53 PRO HA H 1 4.340 0.003 A 53 PRO HBx H 1 1.822 0.002 A 53 PRO HBy H 1 2.263 0.002 A 53 PRO HDx H 1 3.665 0.003 A 53 PRO HDy H 1 3.850 0.003 A 53 PRO HGy H 1 2.040 0.012 A 53 PRO HGx H 1 1.972 0.009 A 53 PRO C C 13 177.518 0.001 A 53 PRO CA C 13 63.990 0.013 A 53 PRO CB C 13 31.917 0.031 A 53 PRO CD C 13 50.938 0.017 A 53 PRO CG C 13 27.553 0.044 A 54 GLY H H 1 8.454 0.001 A 54 GLY HAy H 1 3.901 0.002 A 54 GLY HAx H 1 3.761 0.005 A 54 GLY C C 13 174.121 0.009 A 54 GLY CA C 13 45.369 0.022 A 54 GLY N N 15 108.804 0.021 A 55 TYR H H 1 7.791 0.001 A 55 TYR HA H 1 4.360 0.001 A 55 TYR HBx H 1 2.840 0.006 A 55 TYR HBy H 1 2.895 0.004 A 55 TYR HDx H 1 6.857 0.003 A 55 TYR HDy H 1 6.857 0.003 A 55 TYR HEx H 1 6.720 0.003 A 55 TYR HEy H 1 6.720 0.003 A 55 TYR C C 13 175.550 0.018 A 55 TYR CA C 13 58.508 0.020 A 55 TYR CB C 13 38.907 0.013 A 55 TYR CDx C 13 133.137 0.040 A 55 TYR CDy C 13 133.137 0.040 A 55 TYR CEx C 13 118.098 0.010 A 55 TYR CEy C 13 118.098 0.010 A 55 TYR N N 15 119.872 0.013 A 56 PHE H H 1 7.973 0.003 A 56 PHE HA H 1 4.429 0.003 A 56 PHE HBy H 1 2.966 0.004 A 56 PHE HBx H 1 2.880 0.005 A 56 PHE HDx H 1 7.121 0.007 A 56 PHE HDy H 1 7.121 0.007 A 56 PHE HEx H 1 7.283 0.003 A 56 PHE HEy H 1 7.283 0.003 A 56 PHE HZ H 1 7.244 0.010 A 56 PHE C C 13 175.354 0.010 A 56 PHE CA C 13 58.138 0.029 A 56 PHE CB C 13 39.513 0.014 A 56 PHE CDx C 13 131.796 0.061 A 56 PHE CDy C 13 131.796 0.061 A 56 PHE CEx C 13 131.347 0.010 A 56 PHE CEy C 13 131.347 0.010 A 56 PHE CZ C 13 129.726 0.022 A 56 PHE N N 15 121.248 0.027 A 57 PHE H H 1 7.987 0.002 A 57 PHE HA H 1 4.473 0.004 A 57 PHE HBy H 1 3.041 0.007 A 57 PHE HBx H 1 2.979 0.005 A 57 PHE HDx H 1 7.205 0.007 A 57 PHE HDy H 1 7.205 0.007 A 57 PHE HEx H 1 7.295 0.004 A 57 PHE HEy H 1 7.295 0.004 A 57 PHE HZ H 1 7.295 0.004 A 57 PHE C C 13 175.182 0.027 A 57 PHE CA C 13 57.826 0.034 A 57 PHE CB C 13 39.529 0.011 A 57 PHE CDx C 13 131.797 0.049 A 57 PHE CDy C 13 131.797 0.049 A 57 PHE CEx C 13 131.517 0.071 A 57 PHE CEy C 13 131.517 0.071 A 57 PHE CZ C 13 130.703 0.010 A 57 PHE N N 15 121.226 0.030 A 58 GLN H H 1 8.038 0.004 A 58 GLN HA H 1 4.232 0.005 A 58 GLN HBx H 1 1.874 0.005 A 58 GLN HBy H 1 2.043 0.004 A 58 GLN HE21 H 1 7.527 0.001 A 58 GLN HE22 H 1 6.920 0.002 A 58 GLN HGx H 1 2.207 0.003 A 58 GLN HGy H 1 2.295 0.005 A 58 GLN C C 13 175.287 0.036 A 58 GLN CA C 13 55.406 0.014 A 58 GLN CB C 13 29.477 0.073 A 58 GLN CG C 13 33.610 0.039 A 58 GLN N N 15 121.160 0.027 A 58 GLN NE2 N 15 112.418 0.016 A 59 GLN H H 1 8.178 0.002 A 59 GLN HA H 1 4.286 0.002 A 59 GLN HBx H 1 1.938 0.002 A 59 GLN HBy H 1 2.071 0.007 A 59 GLN HE21 H 1 7.490 0.002 A 59 GLN HE22 H 1 7.019 0.002 A 59 GLN HG2 H 1 2.312 0.006 A 59 GLN HG3 H 1 2.312 0.006 A 59 GLN C C 13 175.318 0.003 A 59 GLN CA C 13 55.297 0.019 A 59 GLN CB C 13 29.419 0.004 A 59 GLN CG C 13 33.940 0.018 A 59 GLN N N 15 120.923 0.021 A 59 GLN NE2 N 15 112.849 0.004 A 60 ALA H H 1 8.394 0.002 A 60 ALA HA H 1 4.536 0.002 A 60 ALA HB% H 1 1.361 0.002 A 60 ALA C C 13 175.924 0.010 A 60 ALA CA C 13 50.682 0.003 A 60 ALA CB C 13 18.173 0.003 A 60 ALA N N 15 126.737 0.029 A 61 PRO HA H 1 4.404 0.002 A 61 PRO HBx H 1 1.913 0.004 A 61 PRO HBy H 1 2.263 0.002 A 61 PRO HDx H 1 3.660 0.002 A 61 PRO HDy H 1 3.755 0.003 A 61 PRO HG2 H 1 2.006 0.003 A 61 PRO HG3 H 1 2.006 0.003 A 61 PRO C C 13 176.902 0.002 A 61 PRO CA C 13 63.549 0.011 A 61 PRO CB C 13 31.981 0.014 A 61 PRO CD C 13 50.527 0.056 A 61 PRO CG C 13 27.302 0.022 A 62 ASN H H 1 8.474 0.002 A 62 ASN HA H 1 4.600 0.001 A 62 ASN HB2 H 1 2.837 0.002 A 62 ASN HB3 H 1 2.837 0.002 A 62 ASN HD21 H 1 7.641 0.001 A 62 ASN HD22 H 1 6.927 0.001 A 62 ASN C C 13 174.942 0.014 A 62 ASN CA C 13 53.299 0.013 A 62 ASN CB C 13 38.021 0.011 A 62 ASN N N 15 116.490 0.019 A 62 ASN ND2 N 15 113.041 0.009 A 63 ARG H H 1 7.906 0.002 A 63 ARG HA H 1 4.361 0.007 A 63 ARG HBy H 1 1.839 0.003 A 63 ARG HBx H 1 1.762 0.002 A 63 ARG HD2 H 1 3.175 0.005 A 63 ARG HD3 H 1 3.175 0.005 A 63 ARG HE H 1 7.296 0.001 A 63 ARG HG2 H 1 1.587 0.005 A 63 ARG HG3 H 1 1.587 0.005 A 63 ARG C C 13 175.853 0.001 A 63 ARG CA C 13 55.555 0.031 A 63 ARG CB C 13 31.085 0.058 A 63 ARG CD C 13 43.294 0.019 A 63 ARG CG C 13 26.888 0.112 A 63 ARG N N 15 120.117 0.023 A 63 ARG NE N 15 84.787 0.014 A 64 ARG H H 1 8.453 0.001 A 64 ARG HA H 1 4.300 0.002 A 64 ARG HBy H 1 1.812 0.004 A 64 ARG HBx H 1 1.761 0.005 A 64 ARG HD2 H 1 3.186 0.002 A 64 ARG HD3 H 1 3.186 0.002 A 64 ARG HE H 1 7.229 0.011 A 64 ARG HGx H 1 1.588 0.010 A 64 ARG HGy H 1 1.666 0.001 A 64 ARG C C 13 175.995 0.021 A 64 ARG CA C 13 56.003 0.026 A 64 ARG CB C 13 30.480 0.047 A 64 ARG CD C 13 43.254 0.010 A 64 ARG CG C 13 27.197 0.024 A 64 ARG N N 15 123.061 0.033 A 64 ARG NE N 15 84.856 0.228 A 65 ARG H H 1 8.479 0.003 A 65 ARG HA H 1 4.576 0.003 A 65 ARG HBy H 1 1.834 0.010 A 65 ARG HBx H 1 1.717 0.006 A 65 ARG HD2 H 1 3.157 0.005 A 65 ARG HD3 H 1 3.157 0.005 A 65 ARG HGx H 1 1.575 0.008 A 65 ARG HGy H 1 1.691 0.010 A 65 ARG C C 13 176.085 0.015 A 65 ARG CA C 13 55.448 0.014 A 65 ARG CB C 13 31.155 0.008 A 65 ARG CD C 13 43.319 0.001 A 65 ARG CG C 13 27.475 0.059 A 65 ARG N N 15 123.698 0.025 A 66 ILE H H 1 8.148 0.004 A 66 ILE HA H 1 4.435 0.002 A 66 ILE HB H 1 1.886 0.004 A 66 ILE HD1% H 1 0.792 0.003 A 66 ILE HG1y H 1 1.356 0.005 A 66 ILE HG1x H 1 0.891 0.006 A 66 ILE HG2% H 1 0.898 0.004 A 66 ILE C C 13 175.488 0.020 A 66 ILE CA C 13 60.214 0.045 A 66 ILE CB C 13 40.154 0.028 A 66 ILE CD1 C 13 13.338 0.017 A 66 ILE CG1 C 13 26.403 0.021 A 66 ILE CG2 C 13 17.436 0.028 A 66 ILE N N 15 120.928 0.029 A 67 SER H H 1 8.511 0.002 A 67 SER HA H 1 4.431 0.005 A 67 SER HBy H 1 3.855 0.002 A 67 SER HBx H 1 3.819 0.014 A 67 SER C C 13 174.034 0.015 A 67 SER CA C 13 58.599 0.023 A 67 SER CB C 13 63.499 0.013 A 67 SER N N 15 119.534 0.034 A 68 ARG H H 1 8.930 0.002 A 68 ARG HA H 1 4.575 0.004 A 68 ARG HBy H 1 2.045 0.004 A 68 ARG HBx H 1 1.456 0.013 A 68 ARG HD2 H 1 3.193 0.005 A 68 ARG HD3 H 1 3.193 0.005 A 68 ARG HGy H 1 1.495 0.007 A 68 ARG HGx H 1 1.155 0.011 A 68 ARG C C 13 175.967 0.043 A 68 ARG CA C 13 55.454 0.016 A 68 ARG CB C 13 32.473 0.031 A 68 ARG CD C 13 43.243 0.003 A 68 ARG CG C 13 28.983 0.004 A 68 ARG N N 15 124.936 0.016 A 69 GLU H H 1 9.488 0.003 A 69 GLU HA H 1 4.505 0.003 A 69 GLU HBx H 1 2.039 0.006 A 69 GLU HBy H 1 2.219 0.004 A 69 GLU HGx H 1 2.364 0.005 A 69 GLU HGy H 1 2.405 0.007 A 69 GLU C C 13 174.852 0.013 A 69 GLU CA C 13 56.194 0.014 A 69 GLU CB C 13 29.801 0.017 A 69 GLU CG C 13 35.963 0.017 A 69 GLU N N 15 136.462 0.022 A 70 HIS H H 1 8.673 0.002 A 70 HIS HA H 1 3.736 0.002 A 70 HIS HBy H 1 3.389 0.008 A 70 HIS HBx H 1 3.206 0.009 A 70 HIS HD2 H 1 7.188 0.010 A 70 HIS C C 13 171.455 0.019 A 70 HIS CA C 13 54.574 0.020 A 70 HIS CB C 13 31.116 0.029 A 70 HIS CD2 C 13 120.957 0.066 A 70 HIS N N 15 120.728 0.044 A 71 GLY H H 1 6.309 0.004 A 71 GLY HAy H 1 4.242 0.006 A 71 GLY HAx H 1 3.133 0.017 A 71 GLY C C 13 174.611 0.011 A 71 GLY CA C 13 43.064 0.124 A 71 GLY N N 15 108.698 0.032 A 72 ARG H H 1 9.152 0.003 A 72 ARG HA H 1 4.195 0.003 A 72 ARG HBy H 1 1.950 0.007 A 72 ARG HBx H 1 1.865 0.003 A 72 ARG HD2 H 1 3.266 0.001 A 72 ARG HD3 H 1 3.266 0.001 A 72 ARG HE H 1 7.412 0.002 A 72 ARG HGx H 1 1.685 0.005 A 72 ARG HGy H 1 1.853 0.003 A 72 ARG C C 13 178.495 0.003 A 72 ARG CA C 13 60.196 0.013 A 72 ARG CB C 13 30.822 0.036 A 72 ARG CD C 13 43.225 0.022 A 72 ARG CG C 13 28.653 0.057 A 72 ARG N N 15 123.350 0.031 A 72 ARG NE N 15 84.923 0.050 A 73 THR H H 1 7.400 0.004 A 73 THR HA H 1 4.196 0.005 A 73 THR HB H 1 4.692 0.002 A 73 THR HG2% H 1 1.142 0.002 A 73 THR C C 13 171.300 0.008 A 73 THR CA C 13 59.336 0.017 A 73 THR CB C 13 69.837 0.017 A 73 THR CG2 C 13 21.300 0.014 A 73 THR N N 15 103.467 0.053 A 74 TRP H H 1 6.553 0.003 A 74 TRP HA H 1 5.707 0.005 A 74 TRP HBx H 1 3.309 0.016 A 74 TRP HBy H 1 3.326 0.014 A 74 TRP HD1 H 1 7.087 0.007 A 74 TRP HE1 H 1 9.937 0.001 A 74 TRP HE3 H 1 7.220 0.006 A 74 TRP HH2 H 1 7.050 0.004 A 74 TRP HZ2 H 1 7.276 0.004 A 74 TRP HZ3 H 1 6.773 0.008 A 74 TRP C C 13 176.667 0.004 A 74 TRP CA C 13 54.882 0.027 A 74 TRP CB C 13 32.860 0.005 A 74 TRP CD1 C 13 126.763 0.027 A 74 TRP CE3 C 13 119.605 0.052 A 74 TRP CH2 C 13 124.408 0.032 A 74 TRP CZ2 C 13 114.868 0.048 A 74 TRP CZ3 C 13 121.715 0.041 A 74 TRP N N 15 112.582 0.030 A 74 TRP NE1 N 15 129.354 0.020 A 75 THR H H 1 9.900 0.003 A 75 THR HA H 1 4.594 0.005 A 75 THR HB H 1 3.827 0.002 A 75 THR HG2% H 1 1.114 0.004 A 75 THR C C 13 170.237 0.029 A 75 THR CA C 13 61.354 0.041 A 75 THR CB C 13 69.887 0.013 A 75 THR CG2 C 13 19.805 0.021 A 75 THR N N 15 114.629 0.025 A 76 LYS H H 1 9.090 0.003 A 76 LYS HA H 1 5.722 0.006 A 76 LYS HBx H 1 1.759 0.013 A 76 LYS HBy H 1 2.393 0.016 A 76 LYS HDy H 1 1.526 0.003 A 76 LYS HDx H 1 1.225 0.005 A 76 LYS HEy H 1 2.469 0.002 A 76 LYS HEx H 1 1.591 0.004 A 76 LYS HG2 H 1 1.218 0.004 A 76 LYS HG3 H 1 1.218 0.004 A 76 LYS C C 13 177.934 0.009 A 76 LYS CA C 13 56.040 0.015 A 76 LYS CB C 13 35.170 0.038 A 76 LYS CD C 13 29.746 0.007 A 76 LYS CE C 13 41.321 0.032 A 76 LYS N N 15 130.596 0.033 A 77 LEU H H 1 8.891 0.003 A 77 LEU HA H 1 4.287 0.002 A 77 LEU HBy H 1 1.494 0.011 A 77 LEU HBx H 1 0.896 0.007 A 77 LEU HDx% H 1 0.627 0.004 A 77 LEU HDy% H 1 0.854 0.004 A 77 LEU C C 13 174.557 0.010 A 77 LEU CA C 13 55.298 0.023 A 77 LEU CB C 13 46.100 0.055 A 77 LEU CDy C 13 26.060 0.011 A 77 LEU CDx C 13 23.005 0.029 A 77 LEU N N 15 128.006 0.034 A 78 THR H H 1 11.169 0.002 A 78 THR HA H 1 4.435 0.004 A 78 THR HB H 1 4.135 0.007 A 78 THR HG2% H 1 1.092 0.002 A 78 THR C C 13 174.067 0.001 A 78 THR CA C 13 62.500 0.023 A 78 THR CB C 13 67.902 0.034 A 78 THR CG2 C 13 21.813 0.010 A 78 THR N N 15 123.666 0.026 A 79 TYR H H 1 8.384 0.003 A 79 TYR HA H 1 4.952 0.005 A 79 TYR HBx H 1 2.879 0.008 A 79 TYR HBy H 1 3.452 0.003 A 79 TYR HDx H 1 7.095 0.008 A 79 TYR HDy H 1 7.095 0.008 A 79 TYR HEx H 1 6.651 0.004 A 79 TYR HEy H 1 6.651 0.004 A 79 TYR C C 13 176.523 0.009 A 79 TYR CA C 13 59.379 0.021 A 79 TYR CB C 13 39.819 0.023 A 79 TYR CDx C 13 132.939 0.058 A 79 TYR CDy C 13 132.939 0.058 A 79 TYR CEx C 13 117.680 0.026 A 79 TYR CEy C 13 117.680 0.026 A 79 TYR N N 15 125.290 0.024 A 80 ALA H H 1 8.350 0.002 A 80 ALA HA H 1 4.060 0.002 A 80 ALA HB% H 1 1.393 0.002 A 80 ALA C C 13 177.255 0.007 A 80 ALA CA C 13 53.930 0.010 A 80 ALA CB C 13 19.186 0.018 A 80 ALA N N 15 121.971 0.034 A 81 ASN H H 1 8.618 0.002 A 81 ASN HA H 1 5.097 0.004 A 81 ASN HBx H 1 2.912 0.011 A 81 ASN HBy H 1 2.938 0.006 A 81 ASN HD21 H 1 7.752 0.001 A 81 ASN HD22 H 1 7.159 0.001 A 81 ASN C C 13 175.438 0.013 A 81 ASN CA C 13 51.488 0.015 A 81 ASN CB C 13 41.430 0.043 A 81 ASN N N 15 112.786 0.036 A 81 ASN ND2 N 15 114.994 0.022 A 82 HIS H H 1 9.357 0.002 A 82 HIS HA H 1 4.287 0.005 A 82 HIS HBy H 1 3.406 0.007 A 82 HIS HBx H 1 3.329 0.003 A 82 HIS HD2 H 1 7.393 0.016 A 82 HIS C C 13 176.494 0.005 A 82 HIS CA C 13 59.091 0.039 A 82 HIS CB C 13 28.563 0.044 A 82 HIS CD2 C 13 120.674 0.019 A 82 HIS N N 15 123.560 0.030 A 83 SER H H 1 8.899 0.002 A 83 SER HA H 1 4.095 0.002 A 83 SER HB2 H 1 3.973 0.003 A 83 SER HB3 H 1 3.973 0.003 A 83 SER C C 13 177.619 0.010 A 83 SER CA C 13 61.637 0.007 A 83 SER CB C 13 61.644 0.035 A 83 SER N N 15 114.623 0.013 A 84 SER H H 1 7.614 0.002 A 84 SER HA H 1 3.935 0.001 A 84 SER HBy H 1 3.815 0.016 A 84 SER HBx H 1 3.319 0.005 A 84 SER C C 13 173.466 0.001 A 84 SER CA C 13 62.250 0.003 A 84 SER CB C 13 62.700 0.010 A 84 SER N N 15 120.863 0.027 A 85 TYR H H 1 6.578 0.002 A 85 TYR HA H 1 3.769 0.004 A 85 TYR HBx H 1 3.113 0.007 A 85 TYR HBy H 1 3.173 0.010 A 85 TYR HDx H 1 6.631 0.006 A 85 TYR HDy H 1 6.631 0.006 A 85 TYR HEx H 1 6.759 0.006 A 85 TYR HEy H 1 6.759 0.006 A 85 TYR C C 13 175.010 0.022 A 85 TYR CA C 13 60.673 0.035 A 85 TYR CB C 13 37.625 0.034 A 85 TYR CDx C 13 133.489 0.027 A 85 TYR CDy C 13 133.489 0.027 A 85 TYR CEx C 13 118.883 0.108 A 85 TYR CEy C 13 118.883 0.108 A 85 TYR N N 15 122.263 0.031 A 86 LEU H H 1 7.745 0.004 A 86 LEU HA H 1 3.537 0.005 A 86 LEU HBx H 1 1.240 0.004 A 86 LEU HBy H 1 1.774 0.006 A 86 LEU HDx% H 1 0.870 0.003 A 86 LEU HDy% H 1 0.938 0.003 A 86 LEU HG H 1 1.506 0.007 A 86 LEU C C 13 179.942 0.005 A 86 LEU CA C 13 57.269 0.030 A 86 LEU CB C 13 41.694 0.024 A 86 LEU CDx C 13 22.252 0.024 A 86 LEU CDy C 13 25.961 0.019 A 86 LEU N N 15 117.366 0.037 A 87 ARG H H 1 7.355 0.002 A 87 ARG HA H 1 3.848 0.003 A 87 ARG HBx H 1 1.679 0.002 A 87 ARG HBy H 1 1.811 0.004 A 87 ARG HD2 H 1 2.971 0.010 A 87 ARG HD3 H 1 2.971 0.010 A 87 ARG C C 13 178.784 0.016 A 87 ARG CA C 13 57.441 0.020 A 87 ARG CB C 13 28.941 0.017 A 87 ARG N N 15 118.578 0.028 A 88 ALA H H 1 7.867 0.001 A 88 ALA HA H 1 3.543 0.007 A 88 ALA HB% H 1 1.640 0.007 A 88 ALA C C 13 179.517 0.004 A 88 ALA CA C 13 55.414 0.025 A 88 ALA CB C 13 18.142 0.006 A 88 ALA N N 15 123.868 0.041 A 89 LEU H H 1 7.334 0.004 A 89 LEU HA H 1 3.924 0.006 A 89 LEU HBx H 1 1.282 0.006 A 89 LEU HBy H 1 1.622 0.007 A 89 LEU HDx% H 1 0.573 0.003 A 89 LEU HDy% H 1 0.410 0.002 A 89 LEU C C 13 180.088 0.016 A 89 LEU CA C 13 57.417 0.026 A 89 LEU CB C 13 41.886 0.052 A 89 LEU CDx C 13 22.726 0.009 A 89 LEU CDy C 13 25.943 0.021 A 89 LEU N N 15 114.573 0.023 A 90 ARG H H 1 7.237 0.003 A 90 ARG HA H 1 4.132 0.005 A 90 ARG HB2 H 1 1.948 0.004 A 90 ARG HB3 H 1 1.948 0.004 A 90 ARG HD2 H 1 3.140 0.005 A 90 ARG HD3 H 1 3.140 0.005 A 90 ARG HE H 1 7.236 0.009 A 90 ARG HGx H 1 1.699 0.002 A 90 ARG HGy H 1 1.881 0.004 A 90 ARG C C 13 177.429 0.013 A 90 ARG CA C 13 57.799 0.022 A 90 ARG CB C 13 29.834 0.047 A 90 ARG CD C 13 43.628 0.060 A 90 ARG CG C 13 27.549 0.012 A 90 ARG N N 15 116.735 0.039 A 90 ARG NE N 15 84.433 0.066 A 91 GLU H H 1 8.005 0.002 A 91 GLU HA H 1 4.147 0.003 A 91 GLU HBy H 1 2.338 0.018 A 91 GLU HBx H 1 1.972 0.004 A 91 GLU HG2 H 1 2.668 0.010 A 91 GLU HG3 H 1 2.668 0.010 A 91 GLU C C 13 176.303 0.024 A 91 GLU CA C 13 55.336 0.018 A 91 GLU CB C 13 29.705 0.002 A 91 GLU N N 15 115.787 0.041 A 92 HIS H H 1 7.557 0.002 A 92 HIS HA H 1 4.271 0.006 A 92 HIS HBy H 1 3.980 0.012 A 92 HIS HBx H 1 3.092 0.005 A 92 HIS HD2 H 1 6.967 0.003 A 92 HIS C C 13 176.823 0.010 A 92 HIS CA C 13 59.453 0.099 A 92 HIS CB C 13 30.812 0.037 A 92 HIS CD2 C 13 117.030 0.011 A 92 HIS N N 15 118.997 0.032 A 93 GLY H H 1 8.767 0.010 A 93 GLY HAy H 1 4.118 0.002 A 93 GLY HAx H 1 3.315 0.006 A 93 GLY C C 13 174.512 0.024 A 93 GLY CA C 13 44.976 0.015 A 93 GLY N N 15 116.944 0.010 A 94 THR H H 1 8.155 0.002 A 94 THR HA H 1 4.059 0.008 A 94 THR HB H 1 4.329 0.008 A 94 THR HG2% H 1 1.229 0.005 A 94 THR C C 13 172.656 0.002 A 94 THR CA C 13 63.330 0.039 A 94 THR CB C 13 69.936 0.023 A 94 THR CG2 C 13 21.554 0.025 A 94 THR N N 15 117.838 0.022 A 95 ILE H H 1 8.314 0.004 A 95 ILE HA H 1 4.388 0.003 A 95 ILE HB H 1 1.860 0.001 A 95 ILE HD1% H 1 0.736 0.001 A 95 ILE HG1y H 1 1.505 0.004 A 95 ILE HG1x H 1 1.197 0.006 A 95 ILE HG2% H 1 0.610 0.004 A 95 ILE C C 13 175.534 0.010 A 95 ILE CA C 13 59.777 0.011 A 95 ILE CB C 13 35.990 0.025 A 95 ILE CD1 C 13 11.009 0.009 A 95 ILE CG1 C 13 27.136 0.001 A 95 ILE CG2 C 13 17.113 0.008 A 95 ILE N N 15 124.155 0.036 A 96 TYR H H 1 8.881 0.004 A 96 TYR HA H 1 4.563 0.004 A 96 TYR HBx H 1 2.512 0.006 A 96 TYR HBy H 1 2.692 0.009 A 96 TYR HDx H 1 6.697 0.005 A 96 TYR HDy H 1 6.697 0.005 A 96 TYR HEx H 1 6.390 0.003 A 96 TYR HEy H 1 6.390 0.003 A 96 TYR C C 13 174.539 0.006 A 96 TYR CA C 13 57.456 0.013 A 96 TYR CB C 13 41.727 0.053 A 96 TYR CDx C 13 132.347 0.048 A 96 TYR CDy C 13 132.347 0.048 A 96 TYR CEx C 13 118.217 0.053 A 96 TYR CEy C 13 118.217 0.053 A 96 TYR N N 15 130.370 0.031 A 97 CYS H H 1 8.987 0.004 A 97 CYS HA H 1 3.658 0.004 A 97 CYS HBx H 1 2.642 0.003 A 97 CYS HBy H 1 2.940 0.007 A 97 CYS C C 13 175.798 0.002 A 97 CYS CA C 13 60.821 0.032 A 97 CYS CB C 13 25.479 0.025 A 97 CYS N N 15 123.936 0.044 A 98 GLY H H 1 8.287 0.002 A 98 GLY HAx H 1 3.461 0.004 A 98 GLY HAy H 1 4.122 0.002 A 98 GLY C C 13 173.270 0.006 A 98 GLY CA C 13 45.312 0.005 A 98 GLY N N 15 103.268 0.020 A 99 ALA H H 1 7.691 0.002 A 99 ALA HA H 1 4.695 0.003 A 99 ALA HB% H 1 1.491 0.002 A 99 ALA C C 13 175.215 0.009 A 99 ALA CA C 13 50.778 0.005 A 99 ALA CB C 13 21.755 0.023 A 99 ALA N N 15 123.511 0.022 A 100 ALA H H 1 8.502 0.002 A 100 ALA HA H 1 4.633 0.002 A 100 ALA HB% H 1 1.158 0.005 A 100 ALA C C 13 177.477 0.008 A 100 ALA CA C 13 51.523 0.021 A 100 ALA CB C 13 18.169 0.009 A 100 ALA N N 15 124.957 0.019 A 101 ILE H H 1 8.596 0.004 A 101 ILE HA H 1 4.455 0.003 A 101 ILE HB H 1 2.135 0.004 A 101 ILE HD1% H 1 0.896 0.005 A 101 ILE HG1y H 1 1.588 0.003 A 101 ILE HG1x H 1 1.464 0.010 A 101 ILE HG2% H 1 1.048 0.005 A 101 ILE C C 13 175.956 0.014 A 101 ILE CA C 13 59.964 0.023 A 101 ILE CB C 13 39.835 0.014 A 101 ILE CD1 C 13 13.450 0.016 A 101 ILE CG1 C 13 26.932 0.036 A 101 ILE CG2 C 13 18.961 0.013 A 101 ILE N N 15 121.598 0.038 A 102 GLY H H 1 8.352 0.002 A 102 GLY HAy H 1 4.663 0.010 A 102 GLY HAx H 1 1.881 0.003 A 102 GLY C C 13 172.857 0.010 A 102 GLY CA C 13 42.444 0.019 A 102 GLY N N 15 113.717 0.019 A 103 CYS HA H 1 5.534 0.002 A 103 CYS HBx H 1 2.691 0.004 A 103 CYS HBy H 1 2.769 0.008 A 103 CYS C C 13 172.624 0.010 A 103 CYS CA C 13 58.703 0.008 A 103 CYS CB C 13 27.343 0.001 A 104 VAL H H 1 8.688 0.003 A 104 VAL HA H 1 4.905 0.002 A 104 VAL HB H 1 2.353 0.004 A 104 VAL HGx% H 1 0.863 0.003 A 104 VAL HGy% H 1 0.851 0.004 A 104 VAL C C 13 172.705 0.010 A 104 VAL CA C 13 57.413 0.007 A 104 VAL CB C 13 33.103 0.013 A 104 VAL CGx C 13 19.010 0.023 A 104 VAL CGy C 13 21.369 0.027 A 104 VAL N N 15 118.519 0.017 A 105 PRO HA H 1 4.615 0.005 A 105 PRO HBy H 1 2.871 0.005 A 105 PRO HBx H 1 1.833 0.010 A 105 PRO HDx H 1 3.658 0.003 A 105 PRO HDy H 1 3.817 0.006 A 105 PRO HGx H 1 2.092 0.006 A 105 PRO HGy H 1 2.180 0.003 A 105 PRO C C 13 176.557 0.011 A 105 PRO CA C 13 63.554 0.022 A 105 PRO CB C 13 32.666 0.019 A 105 PRO CD C 13 50.956 0.033 A 105 PRO CG C 13 28.266 0.003 A 106 TYR H H 1 8.388 0.002 A 106 TYR HA H 1 3.830 0.005 A 106 TYR HBy H 1 2.867 0.008 A 106 TYR HBx H 1 2.602 0.003 A 106 TYR HDx H 1 6.876 0.004 A 106 TYR HDy H 1 6.876 0.004 A 106 TYR HEx H 1 6.733 0.002 A 106 TYR HEy H 1 6.733 0.002 A 106 TYR C C 13 174.643 0.021 A 106 TYR CA C 13 61.018 0.005 A 106 TYR CB C 13 39.387 0.048 A 106 TYR CDx C 13 132.607 0.049 A 106 TYR CDy C 13 132.607 0.049 A 106 TYR CEx C 13 118.764 0.041 A 106 TYR CEy C 13 118.764 0.041 A 106 TYR N N 15 121.923 0.029 A 107 LYS H H 1 5.803 0.003 A 107 LYS HA H 1 4.181 0.003 A 107 LYS HBy H 1 1.859 0.004 A 107 LYS HBx H 1 1.531 0.007 A 107 LYS HD2 H 1 1.680 0.007 A 107 LYS HD3 H 1 1.680 0.007 A 107 LYS HE2 H 1 2.932 0.003 A 107 LYS HE3 H 1 2.932 0.003 A 107 LYS HG2 H 1 1.367 0.003 A 107 LYS HG3 H 1 1.367 0.003 A 107 LYS C C 13 176.443 0.005 A 107 LYS CA C 13 54.777 0.017 A 107 LYS CB C 13 35.925 0.025 A 107 LYS CD C 13 28.921 0.061 A 107 LYS CE C 13 41.846 0.010 A 107 LYS CG C 13 24.787 0.012 A 107 LYS N N 15 124.087 0.047 A 108 HIS H H 1 9.382 0.003 A 108 HIS HA H 1 3.960 0.005 A 108 HIS HBy H 1 3.309 0.010 A 108 HIS HBx H 1 3.150 0.006 A 108 HIS HD2 H 1 7.310 0.003 A 108 HIS HE1 H 1 8.402 0.010 A 108 HIS C C 13 176.998 0.007 A 108 HIS CA C 13 59.599 0.046 A 108 HIS CB C 13 28.548 0.007 A 108 HIS CD2 C 13 120.207 0.040 A 108 HIS CE1 C 13 137.146 0.010 A 108 HIS N N 15 124.171 0.036 A 109 GLU H H 1 9.633 0.002 A 109 GLU HA H 1 3.913 0.002 A 109 GLU HB2 H 1 1.880 0.002 A 109 GLU HB3 H 1 1.880 0.002 A 109 GLU HGx H 1 2.207 0.004 A 109 GLU HGy H 1 2.292 0.002 A 109 GLU C C 13 177.738 0.002 A 109 GLU CA C 13 59.337 0.006 A 109 GLU CB C 13 28.719 0.019 A 109 GLU CG C 13 36.330 0.004 A 109 GLU N N 15 118.941 0.028 A 110 LEU H H 1 6.747 0.004 A 110 LEU HA H 1 4.001 0.005 A 110 LEU HB2 H 1 1.420 0.005 A 110 LEU HB3 H 1 1.420 0.005 A 110 LEU HDx% H 1 0.604 0.005 A 110 LEU HDy% H 1 0.611 0.003 A 110 LEU HG H 1 1.177 0.002 A 110 LEU C C 13 177.872 0.022 A 110 LEU CA C 13 56.373 0.007 A 110 LEU CB C 13 41.955 0.016 A 110 LEU CDx C 13 23.642 0.010 A 110 LEU CDy C 13 25.372 0.019 A 110 LEU CG C 13 26.919 0.037 A 110 LEU N N 15 118.555 0.056 A 111 ILE H H 1 6.900 0.002 A 111 ILE HA H 1 2.970 0.003 A 111 ILE HB H 1 1.796 0.003 A 111 ILE HD1% H 1 0.480 0.002 A 111 ILE HG1y H 1 1.270 0.004 A 111 ILE HG1x H 1 1.202 0.010 A 111 ILE HG2% H 1 0.659 0.004 A 111 ILE C C 13 178.773 0.006 A 111 ILE CA C 13 62.738 0.014 A 111 ILE CB C 13 35.418 0.009 A 111 ILE CD1 C 13 11.388 0.008 A 111 ILE CG1 C 13 27.496 0.012 A 111 ILE CG2 C 13 18.108 0.003 A 111 ILE N N 15 117.129 0.027 A 112 SER H H 1 7.799 0.002 A 112 SER HA H 1 4.000 0.005 A 112 SER HB2 H 1 3.769 0.002 A 112 SER HB3 H 1 3.769 0.002 A 112 SER C C 13 176.313 0.041 A 112 SER CA C 13 61.433 0.040 A 112 SER CB C 13 62.188 0.026 A 112 SER N N 15 116.165 0.059 A 113 GLU H H 1 7.345 0.002 A 113 GLU HA H 1 3.986 0.003 A 113 GLU HB2 H 1 1.943 0.005 A 113 GLU HB3 H 1 1.943 0.005 A 113 GLU HGy H 1 2.187 0.005 A 113 GLU HGx H 1 2.117 0.003 A 113 GLU C C 13 178.799 0.007 A 113 GLU CA C 13 58.521 0.008 A 113 GLU CB C 13 29.382 0.021 A 113 GLU CG C 13 35.475 0.049 A 113 GLU N N 15 120.732 0.017 A 114 LEU H H 1 8.008 0.002 A 114 LEU HA H 1 3.723 0.003 A 114 LEU HBy H 1 0.662 0.003 A 114 LEU HBx H 1 0.266 0.019 A 114 LEU HDx% H 1 0.208 0.003 A 114 LEU HDy% H 1 -0.071 0.002 A 114 LEU HG H 1 1.141 0.005 A 114 LEU C C 13 179.184 0.010 A 114 LEU CA C 13 56.684 0.009 A 114 LEU CB C 13 39.987 0.024 A 114 LEU CDx C 13 21.463 0.018 A 114 LEU CDy C 13 25.500 0.035 A 114 LEU CG C 13 25.685 0.061 A 114 LEU N N 15 119.452 0.025 A 115 SER H H 1 7.816 0.002 A 115 SER HA H 1 4.615 0.001 A 115 SER HBx H 1 3.969 0.004 A 115 SER HBy H 1 4.025 0.007 A 115 SER C C 13 174.994 0.009 A 115 SER CA C 13 59.706 0.014 A 115 SER CB C 13 63.512 0.009 A 115 SER N N 15 112.708 0.029 A 116 ARG H H 1 7.543 0.002 A 116 ARG HA H 1 4.241 0.003 A 116 ARG HB2 H 1 1.871 0.008 A 116 ARG HB3 H 1 1.871 0.008 A 116 ARG HD2 H 1 3.156 0.001 A 116 ARG HD3 H 1 3.156 0.001 A 116 ARG HGx H 1 1.601 0.002 A 116 ARG HGy H 1 1.735 0.004 A 116 ARG C C 13 176.893 0.006 A 116 ARG CA C 13 57.022 0.037 A 116 ARG CB C 13 30.163 0.040 A 116 ARG CD C 13 43.330 0.010 A 116 ARG CG C 13 27.246 0.040 A 116 ARG N N 15 121.600 0.019 A 117 GLU H H 1 8.139 0.001 A 117 GLU HA H 1 4.240 0.001 A 117 GLU HBy H 1 2.114 0.002 A 117 GLU HBx H 1 2.021 0.004 A 117 GLU HG2 H 1 2.357 0.002 A 117 GLU HG3 H 1 2.357 0.002 A 117 GLU C C 13 177.260 0.008 A 117 GLU CA C 13 57.042 0.044 A 117 GLU CB C 13 29.763 0.012 A 117 GLU CG C 13 35.889 0.017 A 117 GLU N N 15 120.450 0.020 A 118 GLY H H 1 8.347 0.001 A 118 GLY HA2 H 1 3.943 0.010 A 118 GLY HA3 H 1 3.943 0.010 A 118 GLY C C 13 174.225 0.006 A 118 GLY CA C 13 45.383 0.004 A 118 GLY N N 15 108.905 0.016 A 119 HIS H H 1 8.230 0.002 A 119 HIS HA H 1 4.659 0.001 A 119 HIS HBy H 1 3.235 0.001 A 119 HIS HBx H 1 3.106 0.004 A 119 HIS C C 13 174.439 0.025 A 119 HIS CA C 13 55.413 0.010 A 119 HIS CB C 13 28.904 0.028 A 119 HIS N N 15 117.625 0.023 A 120 HIS H H 1 8.484 0.002 A 120 HIS HA H 1 4.672 0.008 A 120 HIS C C 13 174.259 0.010 A 120 HIS CA C 13 55.321 0.010 A 120 HIS CB C 13 29.098 0.012 A 120 HIS N N 15 119.015 0.028 A 121 HIS H H 1 8.602 0.003 A 121 HIS HA H 1 4.680 0.002 A 121 HIS C C 13 174.245 0.004 A 121 HIS CA C 13 55.389 0.017 A 121 HIS CB C 13 29.259 0.010 A 121 HIS N N 15 119.872 0.042 A 122 HIS H H 1 8.696 0.004 A 122 HIS HA H 1 4.687 0.010 A 122 HIS C C 13 174.101 0.019 A 122 HIS CA C 13 55.386 0.016 A 122 HIS CB C 13 29.349 0.020 A 122 HIS N N 15 120.597 0.022 A 123 HIS H H 1 8.596 0.001 A 123 HIS HA H 1 4.656 0.001 A 123 HIS C C 13 173.591 0.004 A 123 HIS CA C 13 55.563 0.026 A 123 HIS CB C 13 29.456 0.002 A 123 HIS N N 15 120.680 0.024 A 124 HIS H H 1 8.406 0.002 A 124 HIS HB2 H 1 3.238 0.010 A 124 HIS HB3 H 1 3.238 0.010 A 124 HIS C C 13 178.921 0.010 A 124 HIS CA C 13 57.192 0.010 A 124 HIS CB C 13 29.642 0.010 A 124 HIS N N 15 125.638 0.014 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 3 LEU HA A 3 LEU HDy% 1.0 1.8 5.0 2 2 A 6 GLU H A 6 GLU HBx 1.0 1.8 4.0 3 3 A 6 GLU H A 6 GLU HBy 1.0 1.8 3.5 4 4 A 7 SER H A 7 SER HBx 1.0 1.8 3.5 5 5 A 8 GLU HA A 8 GLU HG2 1.0 1.8 3.5 6 6 A 8 GLU H A 8 GLU HBx 1.0 1.8 4.0 7 7 A 8 GLU H A 8 GLU HBy 1.0 1.8 4.0 8 8 A 9 THR HA A 9 THR HG2% 1.0 1.8 3.5 9 9 A 9 THR HG2% A 9 THR H 1.0 1.8 5.0 10 10 A 11 ASN HBx A 11 ASN HD21 1.0 1.8 5.0 11 11 A 11 ASN HBx A 11 ASN HD22 1.0 1.8 4.0 12 12 A 11 ASN HD21 A 11 ASN HBy 1.0 1.8 6.0 13 13 A 11 ASN HD22 A 11 ASN HBy 1.0 1.8 5.0 14 14 A 11 ASN HBx A 11 ASN H 1.0 1.8 4.0 15 15 A 11 ASN HBy A 11 ASN H 1.0 1.8 5.0 16 16 A 12 ALA H A 12 ALA HB% 1.0 1.8 4.0 17 17 A 13 VAL HA A 13 VAL HGx% 1.0 1.8 5.0 18 18 A 13 VAL H A 13 VAL HGy% 1.0 1.8 4.0 19 19 A 14 VAL HA A 14 VAL HGx% 1.0 1.8 4.0 20 20 A 14 VAL HA A 14 VAL HGy% 1.0 1.8 5.0 21 21 A 14 VAL H A 14 VAL HB 1.0 1.8 4.0 22 22 A 14 VAL HGy% A 14 VAL H 1.0 1.8 5.5 23 23 A 15 VAL HA A 15 VAL HGx% 1.0 1.8 5.0 24 24 A 15 VAL HA A 15 VAL HGy% 1.0 1.8 4.0 25 25 A 15 VAL H A 15 VAL HB 1.0 1.8 4.0 26 26 A 15 VAL HGx% A 15 VAL H 1.0 1.8 5.5 27 27 A 15 VAL HGy% A 15 VAL H 1.0 1.8 5.0 28 28 A 16 PHE HA A 16 PHE HDx 1.0 1.8 6.0 29 28 A 16 PHE HA A 16 PHE HDy 1.0 1.8 6.0 30 29 A 16 PHE HBy A 16 PHE HDx 1.0 1.8 4.0 31 30 A 16 PHE HBx A 16 PHE HDy 1.0 1.8 4.0 32 31 A 16 PHE HDy A 16 PHE H 1.0 1.8 5.0 33 32 A 18 TYR HA A 18 TYR HDx 1.0 1.8 5.0 34 32 A 18 TYR HA A 18 TYR HDy 1.0 1.8 5.0 35 33 A 18 TYR HBx A 18 TYR HDy 1.0 1.8 4.0 36 34 A 18 TYR HBy A 18 TYR HDx 1.0 1.8 4.0 37 35 A 18 TYR HBx A 18 TYR H 1.0 1.8 5.0 38 36 A 18 TYR HBy A 18 TYR H 1.0 1.8 5.0 39 37 A 18 TYR HDy A 18 TYR H 1.0 1.8 3.5 40 38 A 18 TYR H A 18 TYR HEy 1.0 1.8 5.0 41 39 A 19 ARG HA A 19 ARG HGx 1.0 1.8 5.0 42 40 A 19 ARG HGx A 19 ARG HE 1.0 1.8 6.0 43 41 A 19 ARG H A 19 ARG HBy 1.0 1.8 4.0 44 42 A 19 ARG H A 19 ARG HBx 1.0 1.8 5.0 45 43 A 19 ARG HGx A 19 ARG H 1.0 1.8 5.0 46 44 A 20 GLU HA A 20 GLU HGy 1.0 1.8 4.0 47 45 A 20 GLU HA A 20 GLU HGx 1.0 1.8 4.0 48 46 A 20 GLU HGy A 20 GLU H 1.0 1.8 6.0 49 47 A 20 GLU HGx A 20 GLU H 1.0 1.8 6.0 50 48 A 21 ALA H A 21 ALA HB% 1.0 1.8 3.5 51 49 A 22 ILE HA A 22 ILE HD1% 1.0 1.8 5.5 52 50 A 22 ILE HA A 22 ILE HG2% 1.0 1.8 3.5 53 51 A 22 ILE HD1% A 22 ILE HB 1.0 1.8 4.0 54 52 A 22 ILE HB A 22 ILE H 1.0 1.8 6.0 55 53 A 22 ILE HD1% A 22 ILE H 1.0 1.8 5.5 56 54 A 22 ILE HG2% A 22 ILE H 1.0 1.8 5.0 57 55 A 23 THR HA A 23 THR HG2% 1.0 1.8 4.0 58 56 A 23 THR H A 23 THR HB 1.0 1.8 4.0 59 57 A 23 THR HG2% A 23 THR H 1.0 1.8 5.5 60 58 A 24 LYS HA A 24 LYS HD2 1.0 1.8 6.0 61 59 A 24 LYS HA A 24 LYS HGx 1.0 1.8 5.0 62 60 A 24 LYS HA A 24 LYS HGy 1.0 1.8 5.0 63 61 A 24 LYS H A 24 LYS HBy 1.0 1.8 3.5 64 62 A 24 LYS H A 24 LYS HD2 1.0 1.8 3.5 65 63 A 24 LYS HGx A 24 LYS H 1.0 1.8 4.0 66 64 A 24 LYS HGy A 24 LYS H 1.0 1.8 5.0 67 65 A 25 GLN HA A 25 GLN HGx 1.0 1.8 4.0 68 66 A 25 GLN HA A 25 GLN HGy 1.0 1.8 4.0 69 67 A 25 GLN HGx A 25 GLN HE21 1.0 1.8 6.0 70 68 A 25 GLN HGy A 25 GLN HE21 1.0 1.8 6.0 71 69 A 25 GLN HGx A 25 GLN HE22 1.0 1.8 5.0 72 70 A 25 GLN HGy A 25 GLN HE22 1.0 1.8 5.0 73 71 A 25 GLN HGx A 25 GLN H 1.0 1.8 5.0 74 72 A 25 GLN HGy A 25 GLN H 1.0 1.8 4.0 75 73 A 26 ILE HA A 26 ILE HD1% 1.0 1.8 5.0 76 74 A 26 ILE HA A 26 ILE HG1y 1.0 1.8 6.0 77 75 A 26 ILE HA A 26 ILE HG1x 1.0 1.8 6.0 78 76 A 26 ILE HA A 26 ILE HG2% 1.0 1.8 5.0 79 77 A 26 ILE HD1% A 26 ILE HB 1.0 1.8 5.0 80 78 A 26 ILE HB A 26 ILE H 1.0 1.8 3.5 81 79 A 26 ILE HD1% A 26 ILE H 1.0 1.8 5.5 82 80 A 26 ILE HG1y A 26 ILE H 1.0 1.8 5.0 83 81 A 26 ILE HG1x A 26 ILE H 1.0 1.8 4.0 84 82 A 26 ILE HG2% A 26 ILE H 1.0 1.8 5.5 85 83 A 27 LEU HA A 27 LEU HDx% 1.0 1.8 6.5 86 84 A 27 LEU HA A 27 LEU HDy% 1.0 1.8 5.0 87 85 A 27 LEU HDx% A 27 LEU HBx 1.0 1.8 6.5 88 86 A 27 LEU HDy% A 27 LEU HBx 1.0 1.8 5.0 89 87 A 27 LEU HDx% A 27 LEU HBy 1.0 1.8 4.0 90 88 A 27 LEU HDy% A 27 LEU HBy 1.0 1.8 4.0 91 89 A 27 LEU HBx A 27 LEU H 1.0 1.8 4.0 92 90 A 27 LEU HBy A 27 LEU H 1.0 1.8 3.5 93 91 A 27 LEU HDx% A 27 LEU H 1.0 1.8 5.5 94 92 A 27 LEU HDy% A 27 LEU H 1.0 1.8 5.5 95 93 A 28 ALA H A 28 ALA HB% 1.0 1.8 3.5 96 94 A 29 TYR HA A 29 TYR HDx 1.0 1.8 4.0 97 94 A 29 TYR HA A 29 TYR HDy 1.0 1.8 4.0 98 95 A 29 TYR HBx A 29 TYR HDy 1.0 1.8 4.0 99 96 A 29 TYR HBy A 29 TYR HEx 1.0 1.8 6.0 100 97 A 29 TYR HBx A 29 TYR H 1.0 1.8 3.0 101 98 A 30 PHE HA A 30 PHE HDx 1.0 1.8 6.0 102 98 A 30 PHE HA A 30 PHE HDy 1.0 1.8 6.0 103 99 A 30 PHE HBy A 30 PHE HDx 1.0 1.8 5.0 104 100 A 30 PHE HBx A 30 PHE HDy 1.0 1.8 5.0 105 101 A 30 PHE HBy A 30 PHE H 1.0 1.8 5.0 106 102 A 30 PHE HBx A 30 PHE H 1.0 1.8 4.0 107 103 A 30 PHE HDx A 30 PHE H 1.0 1.8 4.0 108 104 A 31 ALA H A 31 ALA HB% 1.0 1.8 3.5 109 105 A 32 GLN HA A 32 GLN HE21 1.0 1.8 6.0 110 106 A 32 GLN HA A 32 GLN HE22 1.0 1.8 5.0 111 107 A 32 GLN H A 32 GLN HBx 1.0 1.8 4.0 112 108 A 32 GLN H A 32 GLN HBy 1.0 1.8 4.0 113 109 A 33 PHE HA A 33 PHE HDx 1.0 1.8 4.0 114 109 A 33 PHE HA A 33 PHE HDy 1.0 1.8 4.0 115 110 A 33 PHE HBy A 33 PHE HDx 1.0 1.8 6.0 116 111 A 33 PHE HBx A 33 PHE HDy 1.0 1.8 6.0 117 112 A 33 PHE HBy A 33 PHE H 1.0 1.8 4.0 118 113 A 33 PHE HBx A 33 PHE H 1.0 1.8 5.0 119 114 A 33 PHE HDx A 33 PHE H 1.0 1.8 4.0 120 115 A 35 GLU H A 35 GLU HBy 1.0 1.8 4.0 121 116 A 35 GLU H A 35 GLU HBx 1.0 1.8 4.0 122 117 A 35 GLU H A 35 GLU HGy 1.0 1.8 5.0 123 118 A 36 ILE HA A 36 ILE HG1x 1.0 1.8 6.0 124 119 A 36 ILE HA A 36 ILE HG1y 1.0 1.8 5.0 125 120 A 36 ILE HA A 36 ILE HG2% 1.0 1.8 5.0 126 121 A 36 ILE HB A 36 ILE HD1% 1.0 1.8 4.0 127 122 A 37 LEU HA A 37 LEU HDx% 1.0 1.8 3.5 128 123 A 37 LEU HA A 37 LEU HDy% 1.0 1.8 5.0 129 124 A 37 LEU HDy% A 37 LEU H 1.0 1.8 5.5 130 125 A 38 GLU H A 38 GLU HBy 1.0 1.8 5.0 131 126 A 38 GLU H A 38 GLU HBx 1.0 1.8 6.0 132 127 A 39 ASP H A 39 ASP HBx 1.0 1.8 3.5 133 128 A 40 LEU HA A 40 LEU HDx% 1.0 1.8 5.0 134 129 A 40 LEU HA A 40 LEU HDy% 1.0 1.8 6.5 135 130 A 40 LEU HDx% A 40 LEU H 1.0 1.8 5.5 136 131 A 40 LEU HDy% A 40 LEU H 1.0 1.8 6.5 137 132 A 40 LEU H A 40 LEU HG 1.0 1.8 5.0 138 133 A 43 GLU H A 43 GLU HBx 1.0 1.8 4.0 139 134 A 44 LEU HA A 44 LEU HDx% 1.0 1.8 5.5 140 135 A 44 LEU HA A 44 LEU HDy% 1.0 1.8 4.0 141 136 A 44 LEU HDx% A 44 LEU HBx 1.0 1.8 4.0 142 137 A 44 LEU HDy% A 44 LEU HBx 1.0 1.8 4.0 143 138 A 44 LEU HDx% A 44 LEU HBy 1.0 1.8 4.0 144 139 A 44 LEU HDy% A 44 LEU HBy 1.0 1.8 4.0 145 140 A 44 LEU HBx A 44 LEU H 1.0 1.8 4.0 146 141 A 44 LEU HBy A 44 LEU H 1.0 1.8 3.5 147 142 A 44 LEU HDx% A 44 LEU H 1.0 1.8 6.5 148 143 A 44 LEU HDy% A 44 LEU H 1.0 1.8 5.5 149 144 A 47 THR HA A 47 THR HG2% 1.0 1.8 4.0 150 145 A 47 THR HG2% A 47 THR H 1.0 1.8 5.0 151 146 A 48 GLU H A 48 GLU HBx 1.0 1.8 4.0 152 147 A 48 GLU H A 48 GLU HBy 1.0 1.8 3.5 153 148 A 49 THR HA A 49 THR HG2% 1.0 1.8 4.0 154 149 A 49 THR HG2% A 49 THR H 1.0 1.8 5.0 155 150 A 50 MET H A 50 MET HBx 1.0 1.8 3.5 156 151 A 50 MET H A 50 MET HBy 1.0 1.8 3.5 157 152 A 50 MET H A 50 MET HGy 1.0 1.8 5.0 158 153 A 50 MET H A 50 MET HGx 1.0 1.8 5.0 159 154 A 51 ARG HA A 51 ARG HDy 1.0 1.8 5.0 160 155 A 51 ARG HA A 51 ARG HDx 1.0 1.8 6.0 161 156 A 51 ARG HA A 51 ARG HGy 1.0 1.8 4.0 162 157 A 51 ARG HBy A 51 ARG HDx 1.0 1.8 5.0 163 158 A 51 ARG HBx A 51 ARG HDx 1.0 1.8 4.0 164 159 A 51 ARG HBx A 51 ARG HE 1.0 1.8 5.0 165 160 A 51 ARG HE A 51 ARG HGx 1.0 1.8 5.0 166 161 A 51 ARG HBy A 51 ARG H 1.0 1.8 5.0 167 162 A 51 ARG HBx A 51 ARG H 1.0 1.8 4.0 168 163 A 51 ARG HGx A 51 ARG H 1.0 1.8 5.0 169 164 A 51 ARG HGy A 51 ARG H 1.0 1.8 6.0 170 165 A 52 THR HA A 52 THR HG2% 1.0 1.8 3.5 171 166 A 52 THR H A 52 THR HB 1.0 1.8 4.0 172 167 A 52 THR HG2% A 52 THR H 1.0 1.8 5.0 173 168 A 53 PRO HA A 53 PRO HDx 1.0 1.8 6.0 174 169 A 53 PRO HA A 53 PRO HDy 1.0 1.8 6.0 175 170 A 53 PRO HA A 53 PRO HGy 1.0 1.8 6.0 176 171 A 53 PRO HA A 53 PRO HGx 1.0 1.8 5.0 177 172 A 53 PRO HDx A 53 PRO HBx 1.0 1.8 4.0 178 173 A 53 PRO HDy A 53 PRO HBx 1.0 1.8 6.0 179 174 A 53 PRO HDx A 53 PRO HBy 1.0 1.8 5.0 180 175 A 55 TYR HA A 55 TYR HDx 1.0 1.8 3.5 181 175 A 55 TYR HA A 55 TYR HDy 1.0 1.8 3.5 182 176 A 55 TYR HBx A 55 TYR HDy 1.0 1.8 4.0 183 177 A 55 TYR HBy A 55 TYR HDx 1.0 1.8 4.0 184 178 A 55 TYR HBy A 55 TYR HEx 1.0 1.8 6.0 185 179 A 55 TYR HBx A 55 TYR H 1.0 1.8 4.0 186 180 A 55 TYR HDx A 55 TYR H 1.0 1.8 4.0 187 181 A 56 PHE HA A 56 PHE HDx 1.0 1.8 4.0 188 181 A 56 PHE HA A 56 PHE HDy 1.0 1.8 4.0 189 182 A 56 PHE HBy A 56 PHE HDx 1.0 1.8 4.0 190 183 A 56 PHE HBx A 56 PHE HDy 1.0 1.8 4.0 191 184 A 56 PHE HBx A 56 PHE H 1.0 1.8 4.0 192 185 A 56 PHE HDx A 56 PHE H 1.0 1.8 5.0 193 186 A 57 PHE HA A 57 PHE HDx 1.0 1.8 4.0 194 186 A 57 PHE HA A 57 PHE HDy 1.0 1.8 4.0 195 187 A 57 PHE HBy A 57 PHE HDy 1.0 1.8 4.0 196 188 A 57 PHE HBy A 57 PHE HEy 1.0 1.8 5.0 197 189 A 57 PHE HBx A 57 PHE HDx 1.0 1.8 4.0 198 190 A 57 PHE HBx A 57 PHE HEx 1.0 1.8 5.0 199 191 A 57 PHE HDy A 57 PHE H 1.0 1.8 5.0 200 192 A 58 GLN HA A 58 GLN HGx 1.0 1.8 6.0 201 193 A 58 GLN HA A 58 GLN HGy 1.0 1.8 5.0 202 194 A 58 GLN HGx A 58 GLN HE21 1.0 1.8 6.0 203 195 A 58 GLN HGy A 58 GLN HE21 1.0 1.8 6.0 204 196 A 58 GLN HGx A 58 GLN HE22 1.0 1.8 4.0 205 197 A 58 GLN HGy A 58 GLN HE22 1.0 1.8 4.0 206 198 A 58 GLN H A 58 GLN HBx 1.0 1.8 5.0 207 199 A 58 GLN H A 58 GLN HBy 1.0 1.8 4.0 208 200 A 58 GLN HGx A 58 GLN H 1.0 1.8 6.0 209 201 A 58 GLN HGy A 58 GLN H 1.0 1.8 5.0 210 202 A 59 GLN H A 59 GLN HBx 1.0 1.8 4.0 211 203 A 59 GLN H A 59 GLN HBy 1.0 1.8 4.0 212 204 A 60 ALA H A 60 ALA HB% 1.0 1.8 3.5 213 205 A 61 PRO HA A 61 PRO HDx 1.0 1.8 6.0 214 206 A 61 PRO HA A 61 PRO HDy 1.0 1.8 6.0 215 207 A 61 PRO HDx A 61 PRO HBx 1.0 1.8 5.0 216 208 A 61 PRO HDy A 61 PRO HBx 1.0 1.8 5.0 217 209 A 61 PRO HDx A 61 PRO HBy 1.0 1.8 6.0 218 210 A 61 PRO HDy A 61 PRO HBy 1.0 1.8 5.0 219 211 A 63 ARG HBy A 63 ARG HE 1.0 1.8 6.0 220 212 A 63 ARG HE A 63 ARG HBx 1.0 1.8 6.0 221 213 A 63 ARG HBy A 63 ARG H 1.0 1.8 4.0 222 214 A 63 ARG HBx A 63 ARG H 1.0 1.8 4.0 223 215 A 64 ARG HA A 64 ARG HGx 1.0 1.8 3.5 224 216 A 64 ARG HA A 64 ARG HGy 1.0 1.8 5.0 225 217 A 64 ARG HGx A 64 ARG HE 1.0 1.8 4.0 226 218 A 64 ARG H A 64 ARG HD3 1.0 1.8 6.0 227 219 A 64 ARG HGx A 64 ARG H 1.0 1.8 3.5 228 220 A 64 ARG HGy A 64 ARG H 1.0 1.8 4.0 229 221 A 65 ARG HA A 65 ARG HGx 1.0 1.8 5.0 230 222 A 65 ARG HA A 65 ARG HGy 1.0 1.8 4.0 231 223 A 65 ARG H A 65 ARG HBy 1.0 1.8 4.0 232 224 A 65 ARG H A 65 ARG HBx 1.0 1.8 3.5 233 225 A 65 ARG HGy A 65 ARG H 1.0 1.8 3.5 234 226 A 66 ILE HA A 66 ILE HD1% 1.0 1.8 6.5 235 227 A 66 ILE HA A 66 ILE HG1x 1.0 1.8 6.0 236 228 A 66 ILE HA A 66 ILE HG2% 1.0 1.8 4.0 237 229 A 66 ILE HD1% A 66 ILE HB 1.0 1.8 4.0 238 230 A 66 ILE HD1% A 66 ILE H 1.0 1.8 5.5 239 231 A 66 ILE HG1x A 66 ILE H 1.0 1.8 5.0 240 232 A 66 ILE HG2% A 66 ILE H 1.0 1.8 4.0 241 233 A 67 SER H A 67 SER HBx 1.0 1.8 3.5 242 234 A 68 ARG HA A 68 ARG HGy 1.0 1.8 4.0 243 235 A 68 ARG HA A 68 ARG HGx 1.0 1.8 6.0 244 236 A 68 ARG H A 68 ARG HBy 1.0 1.8 4.0 245 237 A 68 ARG H A 68 ARG HBx 1.0 1.8 4.0 246 238 A 68 ARG HGx A 68 ARG H 1.0 1.8 6.0 247 239 A 69 GLU HA A 69 GLU HGx 1.0 1.8 4.0 248 240 A 69 GLU HA A 69 GLU HGy 1.0 1.8 5.0 249 241 A 69 GLU H A 69 GLU HBx 1.0 1.8 5.0 250 242 A 70 HIS HBx A 70 HIS HD2 1.0 1.8 6.0 251 243 A 70 HIS HD2 A 70 HIS H 1.0 1.8 5.0 252 244 A 72 ARG HA A 72 ARG HGx 1.0 1.8 4.0 253 245 A 72 ARG HA A 72 ARG HGy 1.0 1.8 5.0 254 246 A 72 ARG HGx A 72 ARG HE 1.0 1.8 6.0 255 247 A 72 ARG HGy A 72 ARG HE 1.0 1.8 4.0 256 248 A 72 ARG H A 72 ARG HBy 1.0 1.8 4.0 257 249 A 72 ARG H A 72 ARG HBx 1.0 1.8 4.0 258 250 A 72 ARG HGx A 72 ARG H 1.0 1.8 6.0 259 251 A 73 THR HA A 73 THR HG2% 1.0 1.8 3.5 260 252 A 73 THR HG2% A 73 THR H 1.0 1.8 5.0 261 253 A 74 TRP H A 74 TRP HBx 1.0 1.8 5.0 262 254 A 74 TRP H A 74 TRP HD1 1.0 1.8 5.0 263 255 A 74 TRP H A 74 TRP HE1 1.0 1.8 6.0 264 256 A 75 THR HA A 75 THR HG2% 1.0 1.8 6.5 265 257 A 75 THR H A 75 THR HB 1.0 1.8 6.0 266 258 A 75 THR HG2% A 75 THR H 1.0 1.8 5.0 267 259 A 76 LYS HBy A 76 LYS HEy 1.0 1.8 4.0 268 260 A 76 LYS H A 76 LYS HBx 1.0 1.8 5.0 269 261 A 76 LYS HBy A 76 LYS H 1.0 1.8 5.0 270 262 A 77 LEU HBy A 77 LEU HDx% 1.0 1.8 6.5 271 263 A 77 LEU HDx% A 77 LEU HBx 1.0 1.8 5.0 272 264 A 77 LEU HBx A 77 LEU HDy% 1.0 1.8 5.0 273 265 A 77 LEU HBx A 77 LEU H 1.0 1.8 6.0 274 266 A 78 THR HA A 78 THR HG2% 1.0 1.8 4.0 275 267 A 78 THR H A 78 THR HB 1.0 1.8 6.0 276 268 A 78 THR HG2% A 78 THR H 1.0 1.8 5.5 277 269 A 79 TYR HA A 79 TYR HDy 1.0 1.8 5.0 278 270 A 79 TYR HDy A 79 TYR HBx 1.0 1.8 5.0 279 271 A 79 TYR HBy A 79 TYR HDx 1.0 1.8 6.0 280 272 A 79 TYR HBx A 79 TYR H 1.0 1.8 4.0 281 273 A 79 TYR HBy A 79 TYR H 1.0 1.8 6.0 282 274 A 79 TYR HDx A 79 TYR H 1.0 1.8 5.0 283 275 A 80 ALA H A 80 ALA HB% 1.0 1.8 4.0 284 276 A 81 ASN HD21 A 81 ASN HBx 1.0 1.8 3.5 285 277 A 81 ASN HD22 A 81 ASN HBx 1.0 1.8 5.0 286 278 A 81 ASN HD21 A 81 ASN H 1.0 1.8 6.0 287 279 A 82 HIS HA A 82 HIS HD2 1.0 1.8 6.0 288 280 A 82 HIS HD2 A 82 HIS HBy 1.0 1.8 6.0 289 281 A 82 HIS HD2 A 82 HIS HBx 1.0 1.8 5.0 290 282 A 82 HIS HBy A 82 HIS H 1.0 1.8 3.5 291 283 A 82 HIS HBx A 82 HIS H 1.0 1.8 3.5 292 284 A 84 SER H A 84 SER HBy 1.0 1.8 4.0 293 285 A 84 SER H A 84 SER HBx 1.0 1.8 4.0 294 286 A 85 TYR HA A 85 TYR HDx 1.0 1.8 6.0 295 287 A 85 TYR HBx A 85 TYR HDy 1.0 1.8 4.0 296 288 A 85 TYR HDx A 85 TYR HBy 1.0 1.8 4.0 297 289 A 85 TYR HBx A 85 TYR H 1.0 1.8 4.0 298 290 A 85 TYR HBy A 85 TYR H 1.0 1.8 4.0 299 291 A 86 LEU HA A 86 LEU HDx% 1.0 1.8 4.0 300 292 A 86 LEU HA A 86 LEU HDy% 1.0 1.8 6.5 301 293 A 86 LEU HA A 86 LEU HG 1.0 1.8 6.0 302 294 A 86 LEU HDx% A 86 LEU HBx 1.0 1.8 5.0 303 295 A 86 LEU HDy% A 86 LEU HBx 1.0 1.8 5.0 304 296 A 86 LEU HDx% A 86 LEU HBy 1.0 1.8 5.0 305 297 A 86 LEU HDy% A 86 LEU HBy 1.0 1.8 5.0 306 298 A 86 LEU HBx A 86 LEU H 1.0 1.8 5.0 307 299 A 86 LEU HBy A 86 LEU H 1.0 1.8 4.0 308 300 A 86 LEU HDx% A 86 LEU H 1.0 1.8 5.0 309 301 A 86 LEU HDy% A 86 LEU H 1.0 1.8 5.0 310 302 A 86 LEU HG A 86 LEU H 1.0 1.8 4.0 311 303 A 87 ARG H A 87 ARG HBx 1.0 1.8 3.5 312 304 A 87 ARG H A 87 ARG HBy 1.0 1.8 4.0 313 305 A 88 ALA H A 88 ALA HB% 1.0 1.8 4.0 314 306 A 89 LEU HA A 89 LEU HDx% 1.0 1.8 3.5 315 307 A 89 LEU HA A 89 LEU HDy% 1.0 1.8 5.5 316 308 A 89 LEU HDx% A 89 LEU HBx 1.0 1.8 5.0 317 309 A 89 LEU HDy% A 89 LEU HBx 1.0 1.8 4.0 318 310 A 89 LEU HDx% A 89 LEU HBy 1.0 1.8 4.0 319 311 A 89 LEU HDy% A 89 LEU HBy 1.0 1.8 3.5 320 312 A 89 LEU HBx A 89 LEU H 1.0 1.8 3.5 321 313 A 89 LEU HBy A 89 LEU H 1.0 1.8 3.5 322 314 A 89 LEU HDx% A 89 LEU H 1.0 1.8 5.5 323 315 A 89 LEU HDy% A 89 LEU H 1.0 1.8 5.5 324 316 A 90 ARG HA A 90 ARG HGx 1.0 1.8 4.0 325 317 A 90 ARG HA A 90 ARG HGy 1.0 1.8 5.0 326 318 A 90 ARG HGx A 90 ARG HE 1.0 1.8 5.0 327 319 A 90 ARG HGy A 90 ARG HE 1.0 1.8 5.0 328 320 A 90 ARG HGx A 90 ARG H 1.0 1.8 3.5 329 321 A 90 ARG HGy A 90 ARG H 1.0 1.8 5.0 330 322 A 91 GLU H A 91 GLU HBy 1.0 1.8 5.0 331 323 A 91 GLU H A 91 GLU HBx 1.0 1.8 4.0 332 324 A 92 HIS HBy A 92 HIS HD2 1.0 1.8 5.0 333 325 A 92 HIS HD2 A 92 HIS HBx 1.0 1.8 4.0 334 326 A 92 HIS HBy A 92 HIS H 1.0 1.8 3.5 335 327 A 92 HIS HBx A 92 HIS H 1.0 1.8 4.0 336 328 A 94 THR HA A 94 THR HG2% 1.0 1.8 3.5 337 329 A 94 THR H A 94 THR HB 1.0 1.8 3.0 338 330 A 94 THR HG2% A 94 THR H 1.0 1.8 5.0 339 331 A 95 ILE HA A 95 ILE HD1% 1.0 1.8 4.0 340 332 A 95 ILE HA A 95 ILE HG1y 1.0 1.8 6.0 341 333 A 95 ILE HA A 95 ILE HG2% 1.0 1.8 4.0 342 334 A 95 ILE HD1% A 95 ILE HB 1.0 1.8 4.0 343 335 A 95 ILE HB A 95 ILE H 1.0 1.8 4.0 344 336 A 95 ILE HG1y A 95 ILE H 1.0 1.8 5.0 345 337 A 95 ILE H A 95 ILE HG1x 1.0 1.8 5.0 346 338 A 96 TYR HA A 96 TYR HDx 1.0 1.8 3.5 347 338 A 96 TYR HA A 96 TYR HDy 1.0 1.8 3.5 348 339 A 96 TYR HA A 96 TYR HEx 1.0 1.8 6.0 349 339 A 96 TYR HA A 96 TYR HEy 1.0 1.8 6.0 350 340 A 96 TYR HBx A 96 TYR HDx 1.0 1.8 4.0 351 341 A 96 TYR HBx A 96 TYR HEx 1.0 1.8 6.0 352 342 A 96 TYR HBy A 96 TYR HDy 1.0 1.8 4.0 353 343 A 96 TYR HBy A 96 TYR HEy 1.0 1.8 6.0 354 344 A 96 TYR HBx A 96 TYR H 1.0 1.8 6.0 355 345 A 96 TYR HBy A 96 TYR H 1.0 1.8 6.0 356 346 A 97 CYS H A 97 CYS HBx 1.0 1.8 6.0 357 347 A 97 CYS H A 97 CYS HBy 1.0 1.8 6.0 358 348 A 99 ALA H A 99 ALA HB% 1.0 1.8 3.5 359 349 A 100 ALA H A 100 ALA HB% 1.0 1.8 3.5 360 350 A 101 ILE HA A 101 ILE HD1% 1.0 1.8 5.5 361 351 A 101 ILE HA A 101 ILE HG1x 1.0 1.8 5.0 362 352 A 101 ILE HA A 101 ILE HG2% 1.0 1.8 4.0 363 353 A 101 ILE HD1% A 101 ILE HB 1.0 1.8 5.0 364 354 A 101 ILE HB A 101 ILE H 1.0 1.8 5.0 365 355 A 101 ILE H A 101 ILE HG1y 1.0 1.8 5.0 366 356 A 101 ILE HG1x A 101 ILE H 1.0 1.8 5.0 367 357 A 101 ILE HG2% A 101 ILE H 1.0 1.8 6.5 368 358 A 104 VAL HA A 104 VAL HGx% 1.0 1.8 4.0 369 359 A 104 VAL HA A 104 VAL HGy% 1.0 1.8 5.5 370 360 A 104 VAL H A 104 VAL HGy% 1.0 1.8 4.0 371 361 A 106 TYR HA A 106 TYR HDx 1.0 1.8 4.0 372 362 A 106 TYR HA A 106 TYR HEx 1.0 1.8 6.0 373 363 A 106 TYR HBy A 106 TYR HDy 1.0 1.8 4.0 374 364 A 106 TYR HBy A 106 TYR H 1.0 1.8 4.0 375 365 A 106 TYR H A 106 TYR HBx 1.0 1.8 3.5 376 366 A 106 TYR HDx A 106 TYR H 1.0 1.8 6.0 377 366 A 106 TYR HDy A 106 TYR H 1.0 1.8 6.0 378 367 A 107 LYS H A 107 LYS HBy 1.0 1.8 6.0 379 368 A 108 HIS HA A 108 HIS HD2 1.0 1.8 6.0 380 369 A 108 HIS HD2 A 108 HIS HBy 1.0 1.8 5.0 381 370 A 108 HIS HD2 A 108 HIS HBx 1.0 1.8 5.0 382 371 A 108 HIS HBy A 108 HIS H 1.0 1.8 3.5 383 372 A 108 HIS HBx A 108 HIS H 1.0 1.8 4.0 384 373 A 109 GLU HA A 109 GLU HGx 1.0 1.8 4.0 385 374 A 109 GLU H A 109 GLU HGx 1.0 1.8 5.0 386 375 A 109 GLU H A 109 GLU HGy 1.0 1.8 5.0 387 376 A 110 LEU HA A 110 LEU HDx% 1.0 1.8 3.5 388 377 A 110 LEU HA A 110 LEU HDy% 1.0 1.8 5.0 389 378 A 110 LEU H A 110 LEU HG 1.0 1.8 5.0 390 379 A 111 ILE HA A 111 ILE HD1% 1.0 1.8 3.5 391 380 A 111 ILE HA A 111 ILE HG1y 1.0 1.8 6.0 392 381 A 111 ILE HA A 111 ILE HG1x 1.0 1.8 6.0 393 382 A 111 ILE HA A 111 ILE HG2% 1.0 1.8 4.0 394 383 A 111 ILE HD1% A 111 ILE HB 1.0 1.8 4.0 395 384 A 111 ILE HB A 111 ILE H 1.0 1.8 3.5 396 385 A 111 ILE HG1y A 111 ILE H 1.0 1.8 4.0 397 386 A 111 ILE HG1x A 111 ILE H 1.0 1.8 3.5 398 387 A 111 ILE HG2% A 111 ILE H 1.0 1.8 5.0 399 388 A 113 GLU HA A 113 GLU HGy 1.0 1.8 4.0 400 389 A 113 GLU HA A 113 GLU HGx 1.0 1.8 4.0 401 390 A 113 GLU HGy A 113 GLU H 1.0 1.8 5.0 402 391 A 114 LEU HA A 114 LEU HDx% 1.0 1.8 3.5 403 392 A 114 LEU HA A 114 LEU HDy% 1.0 1.8 5.5 404 393 A 114 LEU HA A 114 LEU HG 1.0 1.8 5.0 405 394 A 114 LEU HDy% A 114 LEU HBy 1.0 1.8 6.5 406 395 A 114 LEU HDy% A 114 LEU HBx 1.0 1.8 5.0 407 396 A 114 LEU HBy A 114 LEU H 1.0 1.8 3.5 408 397 A 114 LEU HBx A 114 LEU H 1.0 1.8 3.5 409 398 A 114 LEU HDy% A 114 LEU H 1.0 1.8 5.5 410 399 A 114 LEU HG A 114 LEU H 1.0 1.8 3.5 411 400 A 115 SER H A 115 SER HBx 1.0 1.8 3.5 412 401 A 116 ARG HA A 116 ARG HGx 1.0 1.8 4.0 413 402 A 116 ARG HA A 116 ARG HGy 1.0 1.8 4.0 414 403 A 116 ARG HGx A 116 ARG H 1.0 1.8 4.0 415 404 A 116 ARG HGy A 116 ARG H 1.0 1.8 4.0 416 405 A 117 GLU H A 117 GLU HBy 1.0 1.8 4.0 417 406 A 117 GLU H A 117 GLU HBx 1.0 1.8 4.0 418 407 A 119 HIS H A 119 HIS HBy 1.0 1.8 5.0 419 408 A 119 HIS H A 119 HIS HBx 1.0 1.8 4.0 420 409 A 63 ARG HBx A 63 ARG HD2 1.0 1.8 4.0 421 409 A 63 ARG HBx A 63 ARG HD3 1.0 1.8 4.0 422 410 A 6 GLU H A 6 GLU HG2 1.0 1.8 5.0 423 410 A 6 GLU H A 6 GLU HG3 1.0 1.8 5.0 424 411 A 40 LEU HDy% A 40 LEU HB2 1.0 1.8 4.0 425 411 A 40 LEU HDy% A 40 LEU HB3 1.0 1.8 4.0 426 412 A 59 GLN H A 59 GLN HG2 1.0 1.8 4.0 427 412 A 59 GLN H A 59 GLN HG3 1.0 1.8 4.0 428 413 A 64 ARG HBx A 64 ARG HD3 1.0 1.8 4.0 429 413 A 64 ARG HBx A 64 ARG HD2 1.0 1.8 4.0 430 414 A 6 GLU HA A 6 GLU HG2 1.0 1.8 3.5 431 414 A 6 GLU HG3 A 6 GLU HA 1.0 1.8 3.5 432 415 A 76 LYS H A 76 LYS HG2 1.0 1.8 6.0 433 415 A 76 LYS H A 76 LYS HG3 1.0 1.8 6.0 434 416 A 117 GLU HA A 117 GLU HG2 1.0 1.8 3.5 435 416 A 117 GLU HG3 A 117 GLU HA 1.0 1.8 3.5 436 417 A 59 GLN HBy A 59 GLN HG2 1.0 1.8 3.5 437 417 A 59 GLN HBy A 59 GLN HG3 1.0 1.8 3.5 438 418 A 116 ARG H A 116 ARG HB2 1.0 1.8 3.5 439 418 A 116 ARG H A 116 ARG HB3 1.0 1.8 3.5 440 419 A 32 GLN HA A 32 GLN HG2 1.0 1.8 6.0 441 419 A 32 GLN HA A 32 GLN HG3 1.0 1.8 6.0 442 420 A 90 ARG HA A 90 ARG HD2 1.0 1.8 5.0 443 420 A 90 ARG HA A 90 ARG HD3 1.0 1.8 5.0 444 421 A 116 ARG HGx A 116 ARG HB2 1.0 1.8 3.0 445 421 A 116 ARG HGx A 116 ARG HB3 1.0 1.8 3.0 446 422 A 24 LYS HGx A 24 LYS HE2 1.0 1.8 5.0 447 422 A 24 LYS HGx A 24 LYS HE3 1.0 1.8 5.0 448 423 A 40 LEU H A 40 LEU HB2 1.0 1.8 5.0 449 423 A 40 LEU H A 40 LEU HB3 1.0 1.8 5.0 450 424 A 107 LYS HBy A 107 LYS HD2 1.0 1.8 3.0 451 424 A 107 LYS HBy A 107 LYS HD3 1.0 1.8 3.0 452 425 A 113 GLU H A 113 GLU HB2 1.0 1.8 3.5 453 425 A 113 GLU H A 113 GLU HB3 1.0 1.8 3.5 454 426 A 3 LEU HA A 3 LEU HB2 1.0 1.8 5.0 455 426 A 3 LEU HA A 3 LEU HB3 1.0 1.8 5.0 456 427 A 76 LYS HEy A 76 LYS HG2 1.0 1.8 4.0 457 427 A 76 LYS HEy A 76 LYS HG3 1.0 1.8 4.0 458 428 A 90 ARG HE A 90 ARG HB2 1.0 1.8 6.0 459 428 A 90 ARG HE A 90 ARG HB3 1.0 1.8 6.0 460 429 A 59 GLN HE21 A 59 GLN HG2 1.0 1.8 5.0 461 429 A 59 GLN HG3 A 59 GLN HE21 1.0 1.8 5.0 462 430 A 65 ARG HA A 65 ARG HD2 1.0 1.8 4.0 463 430 A 65 ARG HA A 65 ARG HD3 1.0 1.8 4.0 464 431 A 59 GLN HA A 59 GLN HG2 1.0 1.8 4.0 465 431 A 59 GLN HG3 A 59 GLN HA 1.0 1.8 4.0 466 432 A 110 LEU HA A 110 LEU HB2 1.0 1.8 4.0 467 432 A 110 LEU HA A 110 LEU HB3 1.0 1.8 4.0 468 433 A 74 TRP HE3 A 74 TRP HBx 1.0 1.8 5.0 469 433 A 74 TRP HE3 A 74 TRP HBy 1.0 1.8 5.0 470 434 A 72 ARG HE A 72 ARG HD2 1.0 1.8 3.5 471 434 A 72 ARG HE A 72 ARG HD3 1.0 1.8 3.5 472 435 A 112 SER HA A 112 SER HB3 1.0 1.8 3.0 473 435 A 112 SER HB2 A 112 SER HA 1.0 1.8 3.0 474 436 A 107 LYS HBy A 107 LYS HG2 1.0 1.8 3.5 475 436 A 107 LYS HBy A 107 LYS HG3 1.0 1.8 3.5 476 437 A 24 LYS HGx A 24 LYS HE2 1.0 1.8 3.5 477 437 A 24 LYS HGx A 24 LYS HE3 1.0 1.8 3.5 478 438 A 40 LEU HDx% A 40 LEU HB2 1.0 1.8 4.0 479 438 A 40 LEU HDx% A 40 LEU HB3 1.0 1.8 4.0 480 439 A 112 SER H A 112 SER HB3 1.0 1.8 3.0 481 439 A 112 SER HB2 A 112 SER H 1.0 1.8 3.0 482 440 A 8 GLU H A 8 GLU HG2 1.0 1.8 3.5 483 440 A 8 GLU H A 8 GLU HG3 1.0 1.8 3.5 484 441 A 46 ASP H A 46 ASP HB2 1.0 1.8 3.5 485 441 A 46 ASP H A 46 ASP HB3 1.0 1.8 3.5 486 442 A 72 ARG HBy A 72 ARG HD2 1.0 1.8 5.0 487 442 A 72 ARG HBy A 72 ARG HD3 1.0 1.8 5.0 488 443 A 63 ARG H A 63 ARG HG2 1.0 1.8 3.5 489 443 A 63 ARG H A 63 ARG HG3 1.0 1.8 3.5 490 444 A 59 GLN HA A 59 GLN HG2 1.0 1.8 4.0 491 444 A 59 GLN HG3 A 59 GLN HA 1.0 1.8 4.0 492 445 A 19 ARG H A 19 ARG HD2 1.0 1.8 6.0 493 445 A 19 ARG H A 19 ARG HD3 1.0 1.8 6.0 494 446 A 76 LYS HA A 76 LYS HG2 1.0 1.8 5.0 495 446 A 76 LYS HG3 A 76 LYS HA 1.0 1.8 5.0 496 447 A 110 LEU HG A 110 LEU HB2 1.0 1.8 4.0 497 447 A 110 LEU HG A 110 LEU HB3 1.0 1.8 4.0 498 448 A 61 PRO HA A 61 PRO HG2 1.0 1.8 5.0 499 448 A 61 PRO HA A 61 PRO HG3 1.0 1.8 5.0 500 449 A 63 ARG HBy A 63 ARG HD2 1.0 1.8 3.5 501 449 A 63 ARG HBy A 63 ARG HD3 1.0 1.8 3.5 502 450 A 110 LEU H A 110 LEU HB2 1.0 1.8 3.5 503 450 A 110 LEU H A 110 LEU HB3 1.0 1.8 3.5 504 451 A 37 LEU HDy% A 37 LEU HB2 1.0 1.8 5.0 505 451 A 37 LEU HDy% A 37 LEU HB3 1.0 1.8 5.0 506 452 A 19 ARG HBx A 19 ARG HD2 1.0 1.8 3.5 507 452 A 19 ARG HBx A 19 ARG HD3 1.0 1.8 3.5 508 453 A 43 GLU H A 43 GLU HG2 1.0 1.8 4.0 509 453 A 43 GLU H A 43 GLU HG3 1.0 1.8 4.0 510 454 A 74 TRP HD1 A 74 TRP HBx 1.0 1.8 5.0 511 454 A 74 TRP HD1 A 74 TRP HBy 1.0 1.8 5.0 512 455 A 109 GLU HB2 A 109 GLU HGx 1.0 1.8 3.5 513 455 A 109 GLU HB3 A 109 GLU HGx 1.0 1.8 3.5 514 456 A 90 ARG HA A 90 ARG HB2 1.0 1.8 5.0 515 456 A 90 ARG HA A 90 ARG HB3 1.0 1.8 5.0 516 457 A 110 LEU HB2 A 110 LEU HDx% 1.0 1.8 5.0 517 457 A 110 LEU HB3 A 110 LEU HDx% 1.0 1.8 5.0 518 457 A 110 LEU HDy% A 110 LEU HB2 1.0 1.8 5.0 519 457 A 110 LEU HB3 A 110 LEU HDy% 1.0 1.8 5.0 520 458 A 63 ARG HE A 63 ARG HD2 1.0 1.8 3.5 521 458 A 63 ARG HE A 63 ARG HD3 1.0 1.8 3.5 522 459 A 24 LYS HGy A 24 LYS HE2 1.0 1.8 6.0 523 459 A 24 LYS HGy A 24 LYS HE3 1.0 1.8 6.0 524 460 A 64 ARG HE A 64 ARG HD3 1.0 1.8 3.5 525 460 A 64 ARG HE A 64 ARG HD2 1.0 1.8 3.5 526 461 A 64 ARG HBy A 64 ARG HD3 1.0 1.8 4.0 527 461 A 64 ARG HD2 A 64 ARG HBy 1.0 1.8 4.0 528 462 A 72 ARG HA A 72 ARG HD2 1.0 1.8 5.0 529 462 A 72 ARG HA A 72 ARG HD3 1.0 1.8 5.0 530 463 A 63 ARG HE A 63 ARG HG2 1.0 1.8 4.0 531 463 A 63 ARG HE A 63 ARG HG3 1.0 1.8 4.0 532 464 A 3 LEU H A 3 LEU HB2 1.0 1.8 6.0 533 464 A 3 LEU HB3 A 3 LEU H 1.0 1.8 6.0 534 465 A 20 GLU H A 20 GLU HB3 1.0 1.8 3.5 535 465 A 20 GLU H A 20 GLU HB2 1.0 1.8 3.5 536 466 A 61 PRO HA A 61 PRO HG2 1.0 1.8 4.0 537 466 A 61 PRO HA A 61 PRO HG3 1.0 1.8 4.0 538 467 A 91 GLU H A 91 GLU HG2 1.0 1.8 6.0 539 467 A 91 GLU H A 91 GLU HG3 1.0 1.8 6.0 540 468 A 116 ARG H A 116 ARG HD2 1.0 1.8 6.0 541 468 A 116 ARG H A 116 ARG HD3 1.0 1.8 6.0 542 469 A 113 GLU HGy A 113 GLU HB2 1.0 1.8 3.0 543 469 A 113 GLU HGy A 113 GLU HB3 1.0 1.8 3.0 544 470 A 87 ARG HA A 87 ARG HD2 1.0 1.8 5.0 545 470 A 87 ARG HA A 87 ARG HD3 1.0 1.8 5.0 546 471 A 90 ARG HE A 90 ARG HD2 1.0 1.8 3.5 547 471 A 90 ARG HE A 90 ARG HD3 1.0 1.8 3.5 548 472 A 19 ARG HE A 19 ARG HD2 1.0 1.8 3.5 549 472 A 19 ARG HE A 19 ARG HD3 1.0 1.8 3.5 550 473 A 107 LYS HBy A 107 LYS HD2 1.0 1.8 4.0 551 473 A 107 LYS HBy A 107 LYS HD3 1.0 1.8 4.0 552 474 A 42 SER H A 42 SER HB2 1.0 1.8 3.5 553 474 A 42 SER H A 42 SER HB3 1.0 1.8 3.5 554 475 A 116 ARG HA A 116 ARG HB2 1.0 1.8 3.5 555 475 A 116 ARG HA A 116 ARG HB3 1.0 1.8 3.5 556 476 A 63 ARG HA A 63 ARG HG2 1.0 1.8 3.5 557 476 A 63 ARG HG3 A 63 ARG HA 1.0 1.8 3.5 558 477 A 62 ASN HA A 62 ASN HB2 1.0 1.8 3.0 559 477 A 62 ASN HB3 A 62 ASN HA 1.0 1.8 3.0 560 478 A 72 ARG HBx A 72 ARG HD2 1.0 1.8 6.0 561 478 A 72 ARG HBx A 72 ARG HD3 1.0 1.8 6.0 562 479 A 63 ARG HA A 63 ARG HD2 1.0 1.8 4.0 563 479 A 63 ARG HD3 A 63 ARG HA 1.0 1.8 4.0 564 480 A 20 GLU HGx A 20 GLU HB3 1.0 1.8 3.5 565 480 A 20 GLU HGx A 20 GLU HB2 1.0 1.8 3.5 566 481 A 83 SER H A 83 SER HB2 1.0 1.8 3.5 567 481 A 83 SER H A 83 SER HB3 1.0 1.8 3.5 568 482 A 22 ILE HA A 22 ILE HG12 1.0 1.8 5.0 569 482 A 22 ILE HA A 22 ILE HG13 1.0 1.8 5.0 570 483 A 81 ASN H A 81 ASN HBy 1.0 1.8 3.5 571 483 A 81 ASN H A 81 ASN HBx 1.0 1.8 3.5 572 484 A 59 GLN HBx A 59 GLN HG2 1.0 1.8 3.5 573 484 A 59 GLN HBx A 59 GLN HG3 1.0 1.8 3.5 574 485 A 107 LYS HA A 107 LYS HG2 1.0 1.8 4.0 575 485 A 107 LYS HG3 A 107 LYS HA 1.0 1.8 4.0 576 486 A 62 ASN HD21 A 62 ASN HB2 1.0 1.8 4.0 577 486 A 62 ASN HB3 A 62 ASN HD21 1.0 1.8 4.0 578 487 A 107 LYS H A 107 LYS HG2 1.0 1.8 6.0 579 487 A 107 LYS H A 107 LYS HG3 1.0 1.8 6.0 580 488 A 32 GLN HA A 32 GLN HG2 1.0 1.8 6.0 581 488 A 32 GLN HA A 32 GLN HG3 1.0 1.8 6.0 582 489 A 48 GLU H A 48 GLU HG2 1.0 1.8 4.0 583 489 A 48 GLU H A 48 GLU HG3 1.0 1.8 4.0 584 490 A 46 ASP HA A 46 ASP HB2 1.0 1.8 3.5 585 490 A 46 ASP HB3 A 46 ASP HA 1.0 1.8 3.5 586 491 A 2 SER HA A 2 SER HB2 1.0 1.8 3.0 587 491 A 2 SER HB3 A 2 SER HA 1.0 1.8 3.0 588 492 A 51 ARG HBy A 51 ARG HDx 1.0 1.8 5.0 589 492 A 51 ARG HBy A 51 ARG HDy 1.0 1.8 5.0 590 493 A 22 ILE H A 22 ILE HG12 1.0 1.8 3.5 591 493 A 22 ILE H A 22 ILE HG13 1.0 1.8 3.5 592 494 A 117 GLU H A 117 GLU HG2 1.0 1.8 5.0 593 494 A 117 GLU H A 117 GLU HG3 1.0 1.8 5.0 594 495 A 63 ARG HA A 63 ARG HG2 1.0 1.8 3.5 595 495 A 63 ARG HG3 A 63 ARG HA 1.0 1.8 3.5 596 496 A 91 GLU HA A 91 GLU HG2 1.0 1.8 6.0 597 496 A 91 GLU HG3 A 91 GLU HA 1.0 1.8 6.0 598 497 A 64 ARG HA A 64 ARG HD3 1.0 1.8 4.0 599 497 A 64 ARG HA A 64 ARG HD2 1.0 1.8 4.0 600 498 A 42 SER HA A 42 SER HB2 1.0 1.8 3.0 601 498 A 42 SER HB3 A 42 SER HA 1.0 1.8 3.0 602 499 A 41 GLU HA A 41 GLU HG2 1.0 1.8 4.0 603 499 A 41 GLU HA A 41 GLU HG3 1.0 1.8 4.0 604 500 A 37 LEU H A 37 LEU HB2 1.0 1.8 3.5 605 500 A 37 LEU H A 37 LEU HB3 1.0 1.8 3.5 606 501 A 110 LEU H A 110 LEU HDx% 1.0 1.8 6.0 607 501 A 110 LEU H A 110 LEU HDy% 1.0 1.8 6.0 608 502 A 110 LEU HDy% A 110 LEU HB2 1.0 1.8 3.5 609 502 A 110 LEU HB3 A 110 LEU HDy% 1.0 1.8 3.5 610 503 A 107 LYS HA A 107 LYS HD2 1.0 1.8 4.0 611 503 A 107 LYS HD3 A 107 LYS HA 1.0 1.8 4.0 612 504 A 32 GLN HE22 A 32 GLN HG2 1.0 1.8 5.0 613 504 A 32 GLN HE22 A 32 GLN HG3 1.0 1.8 5.0 614 505 A 107 LYS HE3 A 107 LYS HG2 1.0 1.8 4.0 615 505 A 107 LYS HE2 A 107 LYS HG2 1.0 1.8 4.0 616 505 A 107 LYS HG3 A 107 LYS HE2 1.0 1.8 4.0 617 505 A 107 LYS HG3 A 107 LYS HE3 1.0 1.8 4.0 618 506 A 72 ARG H A 72 ARG HD2 1.0 1.8 6.0 619 506 A 72 ARG H A 72 ARG HD3 1.0 1.8 6.0 620 507 A 117 GLU HA A 117 GLU HG2 1.0 1.8 3.5 621 507 A 117 GLU HG3 A 117 GLU HA 1.0 1.8 3.5 622 508 A 65 ARG HA A 65 ARG HD2 1.0 1.8 4.0 623 508 A 65 ARG HA A 65 ARG HD3 1.0 1.8 4.0 624 509 A 90 ARG H A 90 ARG HB2 1.0 1.8 4.0 625 509 A 90 ARG H A 90 ARG HB3 1.0 1.8 4.0 626 510 A 62 ASN HD22 A 62 ASN HB2 1.0 1.8 3.5 627 510 A 62 ASN HB3 A 62 ASN HD22 1.0 1.8 3.5 628 511 A 24 LYS HD3 A 24 LYS HE2 1.0 1.8 3.0 629 511 A 24 LYS HD2 A 24 LYS HE2 1.0 1.8 3.0 630 511 A 24 LYS HE3 A 24 LYS HD2 1.0 1.8 3.0 631 511 A 24 LYS HE3 A 24 LYS HD3 1.0 1.8 3.0 632 512 A 113 GLU HGx A 113 GLU HB2 1.0 1.8 3.0 633 512 A 113 GLU HGx A 113 GLU HB3 1.0 1.8 3.0 634 513 A 72 ARG HBx A 72 ARG HD2 1.0 1.8 3.5 635 513 A 72 ARG HBx A 72 ARG HD3 1.0 1.8 3.5 636 514 A 53 PRO HA A 53 PRO HGx 1.0 1.8 6.0 637 514 A 53 PRO HA A 53 PRO HGy 1.0 1.8 6.0 638 515 A 25 GLN H A 25 GLN HB2 1.0 1.8 3.5 639 515 A 25 GLN H A 25 GLN HB3 1.0 1.8 3.5 640 516 A 90 ARG HB2 A 90 ARG HD2 1.0 1.8 6.0 641 516 A 90 ARG HB3 A 90 ARG HD2 1.0 1.8 6.0 642 516 A 90 ARG HD3 A 90 ARG HB2 1.0 1.8 6.0 643 516 A 90 ARG HD3 A 90 ARG HB3 1.0 1.8 6.0 644 517 A 43 GLU HA A 43 GLU HG2 1.0 1.8 3.5 645 517 A 43 GLU HG3 A 43 GLU HA 1.0 1.8 3.5 646 518 A 37 LEU HA A 37 LEU HB2 1.0 1.8 6.0 647 518 A 37 LEU HA A 37 LEU HB3 1.0 1.8 6.0 648 519 A 109 GLU H A 109 GLU HB2 1.0 1.8 3.5 649 519 A 109 GLU H A 109 GLU HB3 1.0 1.8 3.5 650 520 A 109 GLU HA A 109 GLU HB2 1.0 1.8 3.5 651 520 A 109 GLU HA A 109 GLU HB3 1.0 1.8 3.5 652 521 A 124 HIS H A 124 HIS HB2 1.0 1.8 5.0 653 521 A 124 HIS H A 124 HIS HB3 1.0 1.8 5.0 654 522 A 41 GLU H A 41 GLU HBx 1.0 1.8 3.5 655 522 A 41 GLU H A 41 GLU HBy 1.0 1.8 3.5 656 523 A 19 ARG HA A 19 ARG HD2 1.0 1.8 5.0 657 523 A 19 ARG HA A 19 ARG HD3 1.0 1.8 5.0 658 524 A 107 LYS HBx A 107 LYS HG2 1.0 1.8 3.0 659 524 A 107 LYS HG3 A 107 LYS HBx 1.0 1.8 3.0 660 525 A 43 GLU HA A 43 GLU HG2 1.0 1.8 4.0 661 525 A 43 GLU HG3 A 43 GLU HA 1.0 1.8 4.0 662 526 A 20 GLU HA A 20 GLU HB3 1.0 1.8 4.0 663 526 A 20 GLU HA A 20 GLU HB2 1.0 1.8 4.0 664 527 A 62 ASN H A 62 ASN HB2 1.0 1.8 3.5 665 527 A 62 ASN HB3 A 62 ASN H 1.0 1.8 3.5 666 528 A 25 GLN HA A 25 GLN HB2 1.0 1.8 6.0 667 528 A 25 GLN HA A 25 GLN HB3 1.0 1.8 6.0 668 529 A 43 GLU HBy A 43 GLU HG2 1.0 1.8 3.5 669 529 A 43 GLU HG3 A 43 GLU HBy 1.0 1.8 3.5 670 530 A 41 GLU H A 41 GLU HG2 1.0 1.8 5.0 671 530 A 41 GLU HG3 A 41 GLU H 1.0 1.8 5.0 672 531 A 107 LYS HBx A 107 LYS HD2 1.0 1.8 4.0 673 531 A 107 LYS HD3 A 107 LYS HBx 1.0 1.8 4.0 674 532 A 61 PRO HBx A 61 PRO HG2 1.0 1.8 3.5 675 532 A 61 PRO HBx A 61 PRO HG3 1.0 1.8 3.5 676 533 A 107 LYS HA A 107 LYS HG2 1.0 1.8 4.0 677 533 A 107 LYS HG3 A 107 LYS HA 1.0 1.8 4.0 678 534 A 110 LEU HB2 A 110 LEU HDx% 1.0 1.8 3.5 679 534 A 110 LEU HB3 A 110 LEU HDx% 1.0 1.8 3.5 680 535 A 24 LYS HGy A 24 LYS HE2 1.0 1.8 3.5 681 535 A 24 LYS HGy A 24 LYS HE3 1.0 1.8 3.5 682 536 A 32 GLN HE21 A 32 GLN HG2 1.0 1.8 6.0 683 536 A 32 GLN HE21 A 32 GLN HG3 1.0 1.8 6.0 684 537 A 107 LYS HA A 107 LYS HD2 1.0 1.8 5.0 685 537 A 107 LYS HD3 A 107 LYS HA 1.0 1.8 5.0 686 538 A 116 ARG HA A 116 ARG HD2 1.0 1.8 5.0 687 538 A 116 ARG HA A 116 ARG HD3 1.0 1.8 5.0 688 539 A 48 GLU HA A 48 GLU HG2 1.0 1.8 4.0 689 539 A 48 GLU HG3 A 48 GLU HA 1.0 1.8 4.0 690 540 A 32 GLN H A 32 GLN HG2 1.0 1.8 4.0 691 540 A 32 GLN H A 32 GLN HG3 1.0 1.8 4.0 692 541 A 87 ARG H A 87 ARG HD2 1.0 1.8 6.0 693 541 A 87 ARG H A 87 ARG HD3 1.0 1.8 6.0 694 542 A 59 GLN HE22 A 59 GLN HG2 1.0 1.8 5.0 695 542 A 59 GLN HG3 A 59 GLN HE22 1.0 1.8 5.0 696 543 A 3 LEU H A 2 SER HA 1.0 1.8 5.0 697 544 A 3 LEU HA A 4 GLY H 1.0 1.8 4.0 698 545 A 4 GLY HA3 A 5 SER H 1.0 1.8 3.5 699 546 A 6 GLU H A 5 SER HA 1.0 1.8 3.5 700 547 A 6 GLU H A 5 SER HBx 1.0 1.8 6.0 701 548 A 6 GLU H A 5 SER HBy 1.0 1.8 6.0 702 549 A 6 GLU H A 5 SER H 1.0 1.8 5.0 703 550 A 7 SER H A 6 GLU HA 1.0 1.8 3.0 704 551 A 6 GLU HBy A 7 SER H 1.0 1.8 6.0 705 552 A 6 GLU H A 7 SER H 1.0 1.8 3.5 706 553 A 8 GLU H A 7 SER HA 1.0 1.8 3.0 707 554 A 7 SER H A 8 GLU HBy 1.0 1.8 6.0 708 555 A 7 SER H A 8 GLU H 1.0 1.8 3.5 709 556 A 8 GLU HA A 9 THR HG2% 1.0 1.8 6.5 710 557 A 8 GLU HA A 9 THR H 1.0 1.8 3.0 711 558 A 8 GLU HBx A 9 THR H 1.0 1.8 6.0 712 559 A 8 GLU HBy A 9 THR H 1.0 1.8 5.0 713 560 A 8 GLU H A 9 THR H 1.0 1.8 3.5 714 561 A 9 THR HG2% A 10 GLY H 1.0 1.8 5.5 715 562 A 9 THR H A 10 GLY H 1.0 1.8 3.5 716 563 A 12 ALA H A 11 ASN HA 1.0 1.8 4.0 717 564 A 11 ASN H A 12 ALA HB% 1.0 1.8 6.5 718 565 A 11 ASN H A 12 ALA H 1.0 1.8 3.5 719 566 A 13 VAL H A 12 ALA HA 1.0 1.8 3.5 720 567 A 12 ALA HB% A 13 VAL HGy% 1.0 1.8 5.0 721 568 A 12 ALA HB% A 13 VAL H 1.0 1.8 5.0 722 569 A 12 ALA H A 13 VAL H 1.0 1.8 6.0 723 570 A 13 VAL HA A 14 VAL H 1.0 1.8 3.5 724 571 A 14 VAL H A 13 VAL HB 1.0 1.8 4.0 725 572 A 14 VAL H A 13 VAL HGy% 1.0 1.8 5.0 726 573 A 14 VAL HA A 15 VAL H 1.0 1.8 3.5 727 574 A 14 VAL HGx% A 15 VAL H 1.0 1.8 5.0 728 575 A 14 VAL HGy% A 15 VAL H 1.0 1.8 5.5 729 576 A 15 VAL HA A 16 PHE HDy 1.0 1.8 6.0 730 577 A 15 VAL HA A 16 PHE H 1.0 1.8 3.5 731 578 A 15 VAL HGx% A 16 PHE HA 1.0 1.8 6.5 732 579 A 15 VAL HGx% A 16 PHE H 1.0 1.8 5.0 733 580 A 15 VAL HGy% A 16 PHE H 1.0 1.8 6.5 734 581 A 16 PHE HA A 17 GLY H 1.0 1.8 4.0 735 582 A 16 PHE HBy A 17 GLY H 1.0 1.8 5.0 736 583 A 16 PHE HBx A 17 GLY H 1.0 1.8 4.0 737 584 A 16 PHE HDx A 17 GLY HAx 1.0 1.8 6.0 738 585 A 16 PHE HDx A 17 GLY H 1.0 1.8 5.0 739 586 A 18 TYR H A 17 GLY HAy 1.0 1.8 5.0 740 587 A 18 TYR H A 17 GLY HAx 1.0 1.8 5.0 741 588 A 18 TYR H A 17 GLY H 1.0 1.8 3.5 742 589 A 18 TYR HA A 19 ARG H 1.0 1.8 4.0 743 590 A 18 TYR HBx A 19 ARG H 1.0 1.8 5.0 744 591 A 18 TYR HBy A 19 ARG H 1.0 1.8 4.0 745 592 A 18 TYR HDx A 19 ARG H 1.0 1.8 5.0 746 593 A 18 TYR H A 19 ARG H 1.0 1.8 6.0 747 594 A 19 ARG HA A 20 GLU H 1.0 1.8 3.5 748 595 A 19 ARG HBy A 20 GLU H 1.0 1.8 5.0 749 596 A 19 ARG H A 20 GLU H 1.0 1.8 6.0 750 597 A 20 GLU HA A 21 ALA H 1.0 1.8 6.0 751 598 A 21 ALA H A 20 GLU HB3 1.0 1.8 5.0 752 599 A 20 GLU H A 21 ALA H 1.0 1.8 4.0 753 600 A 22 ILE H A 21 ALA HA 1.0 1.8 6.0 754 601 A 21 ALA HB% A 22 ILE HA 1.0 1.8 6.5 755 602 A 21 ALA HB% A 22 ILE HG2% 1.0 1.8 5.0 756 603 A 21 ALA H A 22 ILE HG2% 1.0 1.8 6.5 757 604 A 21 ALA H A 22 ILE H 1.0 1.8 4.0 758 605 A 22 ILE HA A 23 THR H 1.0 1.8 5.0 759 606 A 23 THR HA A 24 LYS H 1.0 1.8 6.0 760 607 A 23 THR HB A 24 LYS HD2 1.0 1.8 6.0 761 608 A 23 THR HB A 24 LYS H 1.0 1.8 4.0 762 609 A 23 THR HG2% A 24 LYS HA 1.0 1.8 5.5 763 610 A 23 THR HG2% A 24 LYS HBx 1.0 1.8 6.5 764 611 A 23 THR HG2% A 24 LYS H 1.0 1.8 5.0 765 612 A 23 THR H A 24 LYS H 1.0 1.8 4.0 766 613 A 24 LYS HA A 25 GLN H 1.0 1.8 6.0 767 614 A 24 LYS HBy A 25 GLN H 1.0 1.8 5.0 768 615 A 25 GLN H A 24 LYS HBx 1.0 1.8 5.0 769 616 A 24 LYS H A 25 GLN H 1.0 1.8 4.0 770 617 A 25 GLN HA A 26 ILE H 1.0 1.8 6.0 771 618 A 25 GLN HGx A 26 ILE HD1% 1.0 1.8 7.5 772 619 A 25 GLN HGx A 26 ILE H 1.0 1.8 6.0 773 620 A 25 GLN HGy A 26 ILE H 1.0 1.8 6.0 774 621 A 25 GLN H A 26 ILE H 1.0 1.8 3.5 775 622 A 26 ILE HA A 27 LEU H 1.0 1.8 7.0 776 623 A 26 ILE HB A 27 LEU H 1.0 1.8 4.0 777 624 A 26 ILE HG2% A 27 LEU HA 1.0 1.8 5.5 778 625 A 26 ILE HG2% A 27 LEU HBy 1.0 1.8 6.5 779 626 A 26 ILE HG2% A 27 LEU HDy% 1.0 1.8 7.0 780 627 A 26 ILE HG2% A 27 LEU H 1.0 1.8 5.5 781 628 A 26 ILE H A 27 LEU H 1.0 1.8 3.5 782 629 A 27 LEU HBx A 28 ALA H 1.0 1.8 5.0 783 630 A 27 LEU HBy A 28 ALA H 1.0 1.8 4.0 784 631 A 27 LEU HDx% A 28 ALA H 1.0 1.8 6.5 785 632 A 27 LEU HDy% A 28 ALA H 1.0 1.8 5.5 786 633 A 27 LEU H A 28 ALA H 1.0 1.8 4.0 787 634 A 28 ALA HB% A 29 TYR HBx 1.0 1.8 5.5 788 635 A 28 ALA HB% A 29 TYR H 1.0 1.8 4.0 789 636 A 28 ALA H A 29 TYR H 1.0 1.8 3.5 790 637 A 29 TYR HBx A 30 PHE H 1.0 1.8 4.0 791 638 A 29 TYR HDy A 30 PHE HDx 1.0 1.8 5.0 792 639 A 29 TYR HDy A 30 PHE HEx 1.0 1.8 6.0 793 640 A 29 TYR HDy A 30 PHE H 1.0 1.8 6.0 794 641 A 30 PHE HBx A 29 TYR HEy 1.0 1.8 6.0 795 642 A 29 TYR H A 30 PHE H 1.0 1.8 3.5 796 643 A 30 PHE HA A 31 ALA H 1.0 1.8 5.0 797 644 A 30 PHE HBx A 31 ALA H 1.0 1.8 6.0 798 645 A 30 PHE H A 31 ALA HB% 1.0 1.8 6.5 799 646 A 30 PHE H A 31 ALA H 1.0 1.8 3.5 800 647 A 32 GLN H A 31 ALA HA 1.0 1.8 6.0 801 648 A 31 ALA HB% A 32 GLN H 1.0 1.8 5.0 802 649 A 31 ALA H A 32 GLN H 1.0 1.8 3.5 803 650 A 32 GLN HA A 33 PHE H 1.0 1.8 4.0 804 651 A 32 GLN HBx A 33 PHE HDx 1.0 1.8 5.0 805 652 A 32 GLN HBx A 33 PHE H 1.0 1.8 5.0 806 653 A 32 GLN HBy A 33 PHE H 1.0 1.8 6.0 807 654 A 33 PHE HA A 34 GLY H 1.0 1.8 5.0 808 655 A 33 PHE HBy A 34 GLY H 1.0 1.8 6.0 809 656 A 33 PHE HBx A 34 GLY H 1.0 1.8 6.0 810 657 A 33 PHE H A 34 GLY H 1.0 1.8 3.5 811 658 A 35 GLU H A 34 GLY HAy 1.0 1.8 3.5 812 659 A 35 GLU H A 34 GLY HAx 1.0 1.8 3.5 813 660 A 35 GLU H A 34 GLY H 1.0 1.8 5.0 814 661 A 35 GLU HBy A 36 ILE HG2% 1.0 1.8 6.5 815 662 A 36 ILE HA A 37 LEU HDx% 1.0 1.8 5.5 816 663 A 36 ILE HA A 37 LEU HDy% 1.0 1.8 6.5 817 664 A 36 ILE HA A 37 LEU H 1.0 1.8 3.5 818 665 A 36 ILE HB A 37 LEU HDy% 1.0 1.8 5.5 819 666 A 36 ILE HG2% A 37 LEU HDy% 1.0 1.8 4.0 820 667 A 36 ILE HG2% A 37 LEU H 1.0 1.8 5.0 821 668 A 37 LEU HDy% A 38 GLU H 1.0 1.8 6.5 822 669 A 37 LEU H A 38 GLU H 1.0 1.8 5.0 823 670 A 39 ASP H A 38 GLU HA 1.0 1.8 3.5 824 671 A 38 GLU HBx A 39 ASP HA 1.0 1.8 6.0 825 672 A 40 LEU H A 39 ASP HA 1.0 1.8 3.5 826 673 A 40 LEU HA A 41 GLU H 1.0 1.8 6.0 827 674 A 40 LEU HDx% A 41 GLU HA 1.0 1.8 5.5 828 675 A 40 LEU H A 41 GLU H 1.0 1.8 3.5 829 676 A 42 SER H A 41 GLU HA 1.0 1.8 4.0 830 677 A 42 SER H A 41 GLU HBy 1.0 1.8 4.0 831 678 A 42 SER H A 41 GLU H 1.0 1.8 5.0 832 679 A 43 GLU H A 42 SER HA 1.0 1.8 4.0 833 680 A 43 GLU H A 42 SER H 1.0 1.8 4.0 834 681 A 43 GLU HBx A 44 LEU HDx% 1.0 1.8 5.5 835 682 A 43 GLU HBx A 44 LEU HDy% 1.0 1.8 5.0 836 683 A 43 GLU HBx A 44 LEU H 1.0 1.8 5.0 837 684 A 44 LEU HDx% A 43 GLU HBy 1.0 1.8 5.5 838 685 A 44 LEU H A 43 GLU HBy 1.0 1.8 5.0 839 686 A 43 GLU H A 44 LEU H 1.0 1.8 3.5 840 687 A 44 LEU HA A 45 GLY H 1.0 1.8 4.0 841 688 A 44 LEU HBx A 45 GLY H 1.0 1.8 6.0 842 689 A 44 LEU HBy A 45 GLY H 1.0 1.8 6.0 843 690 A 47 THR H A 46 ASP HA 1.0 1.8 3.5 844 691 A 47 THR HG2% A 48 GLU HBy 1.0 1.8 5.5 845 692 A 47 THR HG2% A 48 GLU H 1.0 1.8 5.5 846 693 A 47 THR H A 48 GLU H 1.0 1.8 3.5 847 694 A 49 THR H A 48 GLU HBx 1.0 1.8 5.0 848 695 A 49 THR H A 48 GLU HBy 1.0 1.8 5.0 849 696 A 48 GLU H A 49 THR H 1.0 1.8 3.5 850 697 A 49 THR HA A 50 MET H 1.0 1.8 3.5 851 698 A 49 THR HG2% A 50 MET H 1.0 1.8 5.5 852 699 A 51 ARG HA A 50 MET HE% 1.0 1.8 5.5 853 700 A 51 ARG HA A 52 THR H 1.0 1.8 3.0 854 701 A 51 ARG HBy A 52 THR HA 1.0 1.8 6.0 855 702 A 51 ARG HBy A 52 THR H 1.0 1.8 6.0 856 703 A 51 ARG HBx A 52 THR H 1.0 1.8 6.0 857 704 A 52 THR HA A 53 PRO HDx 1.0 1.8 3.5 858 705 A 52 THR HA A 53 PRO HDy 1.0 1.8 3.5 859 706 A 52 THR HA A 53 PRO HGy 1.0 1.8 6.0 860 707 A 52 THR HA A 53 PRO HGx 1.0 1.8 6.0 861 708 A 52 THR HB A 53 PRO HDx 1.0 1.8 4.0 862 709 A 52 THR HB A 53 PRO HDy 1.0 1.8 5.0 863 710 A 52 THR HB A 53 PRO HGy 1.0 1.8 6.0 864 711 A 52 THR HG2% A 53 PRO HDx 1.0 1.8 5.0 865 712 A 52 THR HG2% A 53 PRO HDy 1.0 1.8 6.5 866 713 A 52 THR H A 53 PRO HDy 1.0 1.8 6.0 867 714 A 53 PRO HA A 54 GLY H 1.0 1.8 3.0 868 715 A 53 PRO HBx A 54 GLY H 1.0 1.8 5.0 869 716 A 53 PRO HBy A 54 GLY H 1.0 1.8 6.0 870 717 A 55 TYR H A 54 GLY HAy 1.0 1.8 4.0 871 718 A 55 TYR H A 54 GLY HAx 1.0 1.8 4.0 872 719 A 55 TYR H A 54 GLY H 1.0 1.8 3.5 873 720 A 55 TYR HA A 56 PHE H 1.0 1.8 3.5 874 721 A 55 TYR HDy A 56 PHE H 1.0 1.8 6.0 875 722 A 55 TYR H A 56 PHE H 1.0 1.8 4.0 876 723 A 56 PHE HBx A 57 PHE HA 1.0 1.8 6.0 877 724 A 56 PHE HBx A 57 PHE HDy 1.0 1.8 6.0 878 725 A 56 PHE HBx A 57 PHE HEy 1.0 1.8 5.0 879 726 A 57 PHE HA A 58 GLN H 1.0 1.8 3.5 880 727 A 57 PHE HBy A 58 GLN H 1.0 1.8 4.0 881 728 A 58 GLN HA A 59 GLN H 1.0 1.8 3.5 882 729 A 60 ALA HB% A 59 GLN HA 1.0 1.8 6.5 883 730 A 60 ALA H A 59 GLN HA 1.0 1.8 3.0 884 731 A 59 GLN HBx A 60 ALA H 1.0 1.8 5.0 885 732 A 59 GLN HBy A 60 ALA H 1.0 1.8 6.0 886 733 A 59 GLN H A 60 ALA H 1.0 1.8 4.0 887 734 A 61 PRO HDx A 60 ALA HA 1.0 1.8 3.0 888 735 A 61 PRO HDy A 60 ALA HA 1.0 1.8 3.0 889 736 A 60 ALA HB% A 61 PRO HDx 1.0 1.8 4.0 890 737 A 60 ALA HB% A 61 PRO HDy 1.0 1.8 4.0 891 738 A 61 PRO HA A 62 ASN H 1.0 1.8 3.5 892 739 A 61 PRO HBx A 62 ASN H 1.0 1.8 5.0 893 740 A 61 PRO HBy A 62 ASN H 1.0 2.8 5.0 894 741 A 61 PRO HDy A 62 ASN H 1.0 1.8 6.0 895 742 A 63 ARG H A 62 ASN HA 1.0 1.8 3.5 896 743 A 63 ARG H A 62 ASN H 1.0 1.8 3.5 897 744 A 64 ARG H A 63 ARG HA 1.0 1.8 3.0 898 745 A 63 ARG H A 64 ARG H 1.0 1.8 6.0 899 746 A 64 ARG HA A 65 ARG H 1.0 1.8 3.0 900 747 A 65 ARG HA A 66 ILE HG2% 1.0 1.8 6.5 901 748 A 65 ARG HA A 66 ILE H 1.0 1.8 3.5 902 749 A 65 ARG HGy A 66 ILE HG2% 1.0 1.8 5.5 903 750 A 65 ARG HGy A 66 ILE H 1.0 1.8 6.0 904 751 A 66 ILE HB A 67 SER H 1.0 1.8 4.0 905 752 A 66 ILE HD1% A 67 SER H 1.0 1.8 6.5 906 753 A 66 ILE HG1y A 67 SER HA 1.0 1.8 5.0 907 754 A 67 SER H A 66 ILE HG1y 1.0 1.8 3.5 908 755 A 66 ILE HG1x A 67 SER HA 1.0 1.8 5.0 909 756 A 66 ILE H A 67 SER H 1.0 1.8 6.0 910 757 A 68 ARG H A 67 SER HA 1.0 1.8 3.5 911 758 A 67 SER HBx A 68 ARG HA 1.0 1.8 5.0 912 759 A 67 SER HBx A 68 ARG H 1.0 1.8 4.0 913 760 A 67 SER H A 68 ARG H 1.0 1.8 6.0 914 761 A 68 ARG HA A 69 GLU H 1.0 1.8 4.0 915 762 A 68 ARG HBx A 69 GLU H 1.0 1.8 4.0 916 763 A 68 ARG HGy A 69 GLU H 1.0 1.8 6.0 917 764 A 69 GLU HA A 70 HIS H 1.0 1.8 3.0 918 765 A 69 GLU HBx A 70 HIS H 1.0 1.8 6.0 919 766 A 70 HIS H A 69 GLU HBy 1.0 1.8 5.0 920 767 A 69 GLU HGx A 70 HIS H 1.0 1.8 5.0 921 768 A 70 HIS HA A 71 GLY H 1.0 1.8 4.0 922 769 A 71 GLY H A 70 HIS HBy 1.0 1.8 5.0 923 770 A 70 HIS HBx A 71 GLY H 1.0 1.8 5.0 924 771 A 72 ARG H A 71 GLY HAy 1.0 1.8 5.0 925 772 A 72 ARG H A 71 GLY HAx 1.0 1.8 4.0 926 773 A 72 ARG HA A 73 THR HB 1.0 1.8 6.0 927 774 A 72 ARG HA A 73 THR HG2% 1.0 1.8 5.0 928 775 A 72 ARG HBy A 73 THR HA 1.0 1.8 6.0 929 776 A 72 ARG HBy A 73 THR HG2% 1.0 1.8 4.0 930 777 A 72 ARG HBy A 73 THR H 1.0 1.8 6.0 931 778 A 72 ARG HBx A 73 THR HG2% 1.0 1.8 5.0 932 779 A 72 ARG HBx A 73 THR H 1.0 1.8 6.0 933 780 A 72 ARG H A 73 THR H 1.0 1.8 5.0 934 781 A 73 THR HA A 74 TRP H 1.0 1.8 4.0 935 782 A 73 THR HG2% A 74 TRP H 1.0 1.8 6.5 936 783 A 73 THR H A 74 TRP HD1 1.0 1.8 6.0 937 784 A 73 THR H A 74 TRP H 1.0 1.8 3.5 938 785 A 75 THR HG2% A 74 TRP HA 1.0 1.8 6.5 939 786 A 75 THR H A 74 TRP HA 1.0 1.8 4.0 940 787 A 75 THR HA A 74 TRP HE3 1.0 1.8 6.0 941 788 A 75 THR H A 74 TRP HE3 1.0 1.8 5.0 942 789 A 75 THR HA A 76 LYS H 1.0 1.8 4.0 943 790 A 77 LEU H A 76 LYS HA 1.0 1.8 3.5 944 791 A 77 LEU HBx A 78 THR H 1.0 1.8 6.0 945 792 A 77 LEU HDy% A 78 THR H 1.0 1.8 5.5 946 793 A 78 THR HA A 79 TYR H 1.0 1.8 3.5 947 794 A 78 THR HG2% A 79 TYR HA 1.0 1.8 6.5 948 795 A 78 THR HG2% A 79 TYR H 1.0 1.8 5.0 949 796 A 79 TYR HA A 80 ALA H 1.0 1.8 4.0 950 797 A 79 TYR HBy A 80 ALA HB% 1.0 1.8 6.5 951 798 A 79 TYR HDx A 80 ALA H 1.0 1.8 6.0 952 799 A 81 ASN H A 80 ALA HA 1.0 1.8 6.0 953 800 A 80 ALA HB% A 81 ASN HA 1.0 1.8 6.5 954 801 A 80 ALA HB% A 81 ASN HD21 1.0 1.8 5.5 955 802 A 80 ALA HB% A 81 ASN HD22 1.0 1.8 6.5 956 803 A 80 ALA HB% A 81 ASN H 1.0 1.8 5.0 957 804 A 80 ALA H A 81 ASN H 1.0 1.8 4.0 958 805 A 82 HIS H A 81 ASN HA 1.0 1.8 3.5 959 806 A 82 HIS H A 81 ASN HBx 1.0 1.8 4.0 960 807 A 81 ASN HD22 A 82 HIS H 1.0 1.8 6.0 961 808 A 82 HIS HA A 83 SER H 1.0 1.8 6.0 962 809 A 82 HIS HBx A 83 SER H 1.0 1.8 4.0 963 810 A 82 HIS H A 83 SER H 1.0 1.8 4.0 964 811 A 84 SER H A 83 SER HA 1.0 1.8 6.0 965 812 A 84 SER H A 83 SER H 1.0 1.8 3.5 966 813 A 85 TYR H A 84 SER HA 1.0 1.8 5.0 967 814 A 84 SER HBy A 85 TYR H 1.0 1.8 6.0 968 815 A 84 SER HBx A 85 TYR H 1.0 1.8 5.0 969 816 A 84 SER H A 85 TYR H 1.0 1.8 3.5 970 817 A 85 TYR HA A 86 LEU H 1.0 1.8 6.0 971 818 A 85 TYR HBx A 86 LEU H 1.0 1.8 5.0 972 819 A 85 TYR HBy A 86 LEU H 1.0 1.8 5.0 973 820 A 85 TYR HDy A 86 LEU HA 1.0 1.8 7.0 974 821 A 85 TYR HDy A 86 LEU HDx% 1.0 1.8 5.0 975 822 A 85 TYR HDy A 86 LEU HDy% 1.0 1.8 6.5 976 823 A 85 TYR HDy A 86 LEU HG 1.0 1.8 6.0 977 824 A 86 LEU HA A 85 TYR HEy 1.0 1.8 7.0 978 825 A 86 LEU HDx% A 85 TYR HEy 1.0 1.8 4.0 979 826 A 86 LEU HDy% A 85 TYR HEy 1.0 1.8 5.5 980 827 A 85 TYR H A 86 LEU H 1.0 1.8 4.0 981 828 A 86 LEU HA A 87 ARG H 1.0 1.8 6.0 982 829 A 86 LEU HBx A 87 ARG H 1.0 1.8 5.0 983 830 A 86 LEU HBy A 87 ARG H 1.0 1.8 3.5 984 831 A 86 LEU HDx% A 87 ARG H 1.0 1.8 6.5 985 832 A 86 LEU HDy% A 87 ARG H 1.0 1.8 6.5 986 833 A 86 LEU HG A 87 ARG H 1.0 1.8 5.0 987 834 A 86 LEU H A 87 ARG H 1.0 1.8 4.0 988 835 A 88 ALA H A 87 ARG HA 1.0 1.8 5.0 989 836 A 87 ARG HBx A 88 ALA H 1.0 1.8 4.0 990 837 A 87 ARG H A 88 ALA HB% 1.0 1.8 5.5 991 838 A 87 ARG H A 88 ALA H 1.0 1.8 4.0 992 839 A 88 ALA HB% A 89 LEU HDx% 1.0 1.8 7.0 993 840 A 88 ALA H A 89 LEU H 1.0 1.8 4.0 994 841 A 89 LEU HA A 90 ARG H 1.0 1.8 6.0 995 842 A 89 LEU HBx A 90 ARG H 1.0 1.8 5.0 996 843 A 89 LEU HBy A 90 ARG H 1.0 1.8 6.0 997 844 A 89 LEU H A 90 ARG H 1.0 1.8 4.0 998 845 A 90 ARG H A 91 GLU H 1.0 1.8 5.0 999 846 A 92 HIS H A 91 GLU HA 1.0 1.8 4.0 1000 847 A 91 GLU H A 92 HIS H 1.0 1.8 4.0 1001 848 A 94 THR H A 93 GLY HAy 1.0 1.8 3.5 1002 849 A 94 THR HA A 95 ILE HD1% 1.0 1.8 5.5 1003 850 A 94 THR HA A 95 ILE H 1.0 1.8 3.5 1004 851 A 94 THR HB A 95 ILE H 1.0 1.8 5.0 1005 852 A 94 THR HG2% A 95 ILE H 1.0 1.8 5.0 1006 853 A 95 ILE HA A 96 TYR H 1.0 1.8 4.0 1007 854 A 95 ILE HG2% A 96 TYR H 1.0 1.8 5.5 1008 855 A 96 TYR HA A 97 CYS HA 1.0 1.8 5.0 1009 856 A 96 TYR HA A 97 CYS H 1.0 1.8 3.5 1010 857 A 96 TYR HBx A 97 CYS H 1.0 1.8 6.0 1011 858 A 96 TYR HDy A 97 CYS HBx 1.0 1.8 6.0 1012 859 A 96 TYR HDy A 97 CYS HBy 1.0 1.8 6.0 1013 860 A 96 TYR HDy A 97 CYS H 1.0 1.8 6.0 1014 861 A 96 TYR HEy A 97 CYS HBx 1.0 1.8 5.0 1015 862 A 96 TYR HEy A 97 CYS HBy 1.0 1.8 6.0 1016 863 A 97 CYS HA A 98 GLY H 1.0 1.8 4.0 1017 864 A 97 CYS H A 98 GLY H 1.0 1.8 4.0 1018 865 A 99 ALA H A 98 GLY HAy 1.0 1.8 5.0 1019 866 A 99 ALA H A 98 GLY H 1.0 1.8 4.0 1020 867 A 100 ALA HB% A 99 ALA HA 1.0 1.8 5.0 1021 868 A 100 ALA H A 99 ALA HA 1.0 1.8 3.0 1022 869 A 99 ALA HB% A 100 ALA H 1.0 1.8 4.0 1023 870 A 99 ALA H A 100 ALA H 1.0 1.8 6.0 1024 871 A 101 ILE H A 100 ALA HA 1.0 1.8 4.0 1025 872 A 100 ALA HB% A 101 ILE HA 1.0 1.8 6.5 1026 873 A 100 ALA HB% A 101 ILE H 1.0 1.8 5.0 1027 874 A 101 ILE HA A 102 GLY H 1.0 1.8 3.5 1028 875 A 101 ILE HB A 102 GLY H 1.0 1.8 4.0 1029 876 A 101 ILE HG2% A 102 GLY H 1.0 1.8 5.5 1030 877 A 104 VAL H A 103 CYS HA 1.0 1.8 3.5 1031 878 A 104 VAL HA A 105 PRO HDx 1.0 1.8 5.0 1032 879 A 104 VAL HA A 105 PRO HDy 1.0 1.8 4.0 1033 880 A 105 PRO HDx A 104 VAL HB 1.0 1.8 5.0 1034 881 A 105 PRO HDy A 104 VAL HB 1.0 1.8 6.0 1035 882 A 105 PRO HDx A 104 VAL HGx% 1.0 1.8 5.5 1036 883 A 105 PRO HDy A 104 VAL HGx% 1.0 1.8 5.5 1037 884 A 105 PRO HDx A 104 VAL HGy% 1.0 1.8 5.5 1038 885 A 106 TYR H A 105 PRO HA 1.0 1.8 3.5 1039 886 A 106 TYR H A 105 PRO HBy 1.0 1.8 7.0 1040 887 A 106 TYR HA A 107 LYS H 1.0 1.8 4.0 1041 888 A 106 TYR HDy A 107 LYS HA 1.0 1.8 6.0 1042 889 A 106 TYR HDy A 107 LYS H 1.0 1.8 6.0 1043 889 A 106 TYR HDx A 107 LYS H 1.0 1.8 6.0 1044 890 A 108 HIS H A 107 LYS HA 1.0 1.8 3.5 1045 891 A 107 LYS HBy A 108 HIS H 1.0 1.8 5.0 1046 892 A 108 HIS HBy A 109 GLU H 1.0 1.8 5.0 1047 893 A 108 HIS HBx A 109 GLU H 1.0 1.8 4.0 1048 894 A 108 HIS H A 109 GLU H 1.0 1.8 5.0 1049 895 A 109 GLU H A 110 LEU H 1.0 1.8 4.0 1050 896 A 110 LEU H A 111 ILE H 1.0 1.8 3.5 1051 897 A 111 ILE HA A 112 SER H 1.0 1.8 5.0 1052 898 A 111 ILE HB A 112 SER H 1.0 1.8 3.5 1053 899 A 111 ILE HG1y A 112 SER H 1.0 1.8 6.0 1054 900 A 111 ILE HG1x A 112 SER H 1.0 1.8 6.0 1055 901 A 111 ILE HG2% A 112 SER HA 1.0 1.8 5.0 1056 902 A 111 ILE HG2% A 112 SER H 1.0 1.8 5.0 1057 903 A 111 ILE H A 112 SER H 1.0 1.8 3.5 1058 904 A 113 GLU H A 112 SER HB2 1.0 1.8 3.5 1059 905 A 113 GLU H A 112 SER H 1.0 1.8 3.5 1060 906 A 113 GLU H A 114 LEU H 1.0 1.8 3.5 1061 907 A 114 LEU HA A 115 SER H 1.0 1.8 5.0 1062 908 A 114 LEU HBy A 115 SER H 1.0 1.8 5.0 1063 909 A 114 LEU HBx A 115 SER H 1.0 1.8 4.0 1064 910 A 114 LEU H A 115 SER H 1.0 1.8 3.5 1065 911 A 116 ARG H A 115 SER HA 1.0 1.8 4.0 1066 912 A 115 SER H A 116 ARG H 1.0 1.8 3.5 1067 913 A 116 ARG HGy A 117 GLU H 1.0 1.8 6.0 1068 914 A 116 ARG H A 117 GLU H 1.0 1.8 3.5 1069 915 A 117 GLU HA A 118 GLY H 1.0 1.8 3.0 1070 916 A 117 GLU HBy A 118 GLY H 1.0 1.8 5.0 1071 917 A 117 GLU HBx A 118 GLY H 1.0 1.8 5.0 1072 918 A 117 GLU H A 118 GLY H 1.0 1.8 3.5 1073 919 A 119 HIS H A 118 GLY H 1.0 1.8 4.0 1074 920 A 119 HIS HBy A 120 HIS H 1.0 1.8 6.0 1075 921 A 119 HIS HBx A 120 HIS H 1.0 1.8 5.0 1076 922 A 124 HIS H A 123 HIS HA 1.0 1.8 4.0 1077 923 A 62 ASN H A 61 PRO HG2 1.0 1.8 5.0 1078 923 A 61 PRO HG3 A 62 ASN H 1.0 1.8 5.0 1079 924 A 60 ALA HA A 61 PRO HG2 1.0 1.8 5.0 1080 924 A 61 PRO HG3 A 60 ALA HA 1.0 1.8 5.0 1081 925 A 108 HIS HBx A 109 GLU HB2 1.0 1.8 6.0 1082 925 A 108 HIS HBx A 109 GLU HB3 1.0 1.8 6.0 1083 926 A 9 THR H A 8 GLU HG2 1.0 1.8 6.0 1084 926 A 9 THR H A 8 GLU HG3 1.0 1.8 6.0 1085 927 A 26 ILE H A 25 GLN HB2 1.0 1.8 4.0 1086 927 A 26 ILE H A 25 GLN HB3 1.0 1.8 4.0 1087 928 A 63 ARG HA A 62 ASN HB2 1.0 1.8 5.0 1088 928 A 63 ARG HA A 62 ASN HB3 1.0 1.8 5.0 1089 929 A 111 ILE H A 110 LEU HB2 1.0 1.8 4.0 1090 929 A 111 ILE H A 110 LEU HB3 1.0 1.8 4.0 1091 930 A 44 LEU H A 43 GLU HG2 1.0 1.8 5.0 1092 930 A 44 LEU H A 43 GLU HG3 1.0 1.8 5.0 1093 931 A 49 THR HG2% A 48 GLU HBy 1.0 1.8 6.5 1094 931 A 49 THR HG2% A 48 GLU HBx 1.0 1.8 6.5 1095 932 A 42 SER H A 41 GLU HG2 1.0 1.8 5.0 1096 932 A 42 SER H A 41 GLU HG3 1.0 1.8 5.0 1097 933 A 43 GLU H A 42 SER HB2 1.0 1.8 5.0 1098 933 A 43 GLU H A 42 SER HB3 1.0 1.8 5.0 1099 934 A 111 ILE HG2% A 112 SER HB3 1.0 1.8 5.5 1100 934 A 111 ILE HG2% A 112 SER HB2 1.0 1.8 5.5 1101 935 A 9 THR H A 10 GLY HA2 1.0 1.8 5.0 1102 935 A 9 THR H A 10 GLY HA3 1.0 1.8 5.0 1103 936 A 46 ASP H A 45 GLY HA2 1.0 1.8 3.0 1104 936 A 46 ASP H A 45 GLY HA3 1.0 1.8 3.0 1105 937 A 105 PRO HDy A 104 VAL HGx% 1.0 1.8 7.0 1106 937 A 105 PRO HDy A 104 VAL HGy% 1.0 1.8 7.0 1107 938 A 33 PHE H A 32 GLN HG2 1.0 1.8 5.0 1108 938 A 33 PHE H A 32 GLN HG3 1.0 1.8 5.0 1109 939 A 23 THR HB A 24 LYS HE2 1.0 1.8 5.0 1110 939 A 23 THR HB A 24 LYS HE3 1.0 1.8 5.0 1111 940 A 75 THR H A 74 TRP HBx 1.0 1.8 4.0 1112 940 A 75 THR H A 74 TRP HBy 1.0 1.8 4.0 1113 941 A 36 ILE HA A 37 LEU HB2 1.0 1.8 6.0 1114 941 A 36 ILE HA A 37 LEU HB3 1.0 1.8 6.0 1115 942 A 47 THR HG2% A 46 ASP HB2 1.0 1.8 6.5 1116 942 A 47 THR HG2% A 46 ASP HB3 1.0 1.8 6.5 1117 943 A 60 ALA HA A 61 PRO HG2 1.0 1.8 5.0 1118 943 A 61 PRO HG3 A 60 ALA HA 1.0 1.8 5.0 1119 944 A 119 HIS H A 118 GLY HA2 1.0 1.8 3.5 1120 944 A 119 HIS H A 118 GLY HA3 1.0 1.8 3.5 1121 945 A 77 LEU HA A 76 LYS HG2 1.0 1.8 5.0 1122 945 A 76 LYS HG3 A 77 LEU HA 1.0 1.8 5.0 1123 946 A 11 ASN H A 10 GLY HA2 1.0 1.8 3.5 1124 946 A 11 ASN H A 10 GLY HA3 1.0 1.8 3.5 1125 947 A 44 LEU H A 45 GLY HA2 1.0 1.8 5.0 1126 947 A 44 LEU H A 45 GLY HA3 1.0 1.8 5.0 1127 948 A 38 GLU H A 37 LEU HB2 1.0 1.8 4.0 1128 948 A 38 GLU H A 37 LEU HB3 1.0 1.8 4.0 1129 949 A 60 ALA H A 59 GLN HG2 1.0 1.8 6.0 1130 949 A 60 ALA H A 59 GLN HG3 1.0 1.8 6.0 1131 950 A 23 THR H A 22 ILE HG12 1.0 1.8 6.0 1132 950 A 23 THR H A 22 ILE HG13 1.0 1.8 6.0 1133 951 A 41 GLU H A 40 LEU HB2 1.0 1.8 6.0 1134 951 A 40 LEU HB3 A 41 GLU H 1.0 1.8 6.0 1135 952 A 64 ARG HE A 63 ARG HD2 1.0 1.8 3.5 1136 952 A 64 ARG HE A 63 ARG HD3 1.0 1.8 3.5 1137 953 A 84 SER H A 83 SER HB2 1.0 1.8 3.5 1138 953 A 84 SER H A 83 SER HB3 1.0 1.8 3.5 1139 954 A 47 THR H A 46 ASP HB2 1.0 1.8 4.0 1140 954 A 47 THR H A 46 ASP HB3 1.0 1.8 4.0 1141 955 A 44 LEU HDy% A 43 GLU HG2 1.0 1.8 6.5 1142 955 A 44 LEU HDy% A 43 GLU HG3 1.0 1.8 6.5 1143 956 A 73 THR HG2% A 72 ARG HD2 1.0 1.8 5.5 1144 956 A 73 THR HG2% A 72 ARG HD3 1.0 1.8 5.5 1145 957 A 42 SER HB2 A 43 GLU HG2 1.0 1.8 6.0 1146 957 A 42 SER HB3 A 43 GLU HG2 1.0 1.8 6.0 1147 957 A 43 GLU HG3 A 42 SER HB2 1.0 1.8 6.0 1148 957 A 43 GLU HG3 A 42 SER HB3 1.0 1.8 6.0 1149 958 A 77 LEU H A 76 LYS HG2 1.0 1.8 4.0 1150 958 A 77 LEU H A 76 LYS HG3 1.0 1.8 4.0 1151 959 A 111 ILE H A 110 LEU HDx% 1.0 1.8 7.0 1152 959 A 111 ILE H A 110 LEU HDy% 1.0 1.8 7.0 1153 960 A 105 PRO HDx A 104 VAL HGx% 1.0 1.8 6.0 1154 960 A 105 PRO HDx A 104 VAL HGy% 1.0 1.8 6.0 1155 961 A 110 LEU H A 109 GLU HB2 1.0 1.8 4.0 1156 961 A 110 LEU H A 109 GLU HB3 1.0 1.8 4.0 1157 962 A 63 ARG H A 62 ASN HB2 1.0 1.8 5.0 1158 962 A 63 ARG H A 62 ASN HB3 1.0 1.8 5.0 1159 963 A 73 THR HG2% A 72 ARG HD2 1.0 1.8 5.5 1160 963 A 73 THR HG2% A 72 ARG HD3 1.0 1.8 5.5 1161 964 A 114 LEU HDx% A 113 GLU HB2 1.0 1.8 6.5 1162 964 A 114 LEU HDx% A 113 GLU HB3 1.0 1.8 6.5 1163 965 A 114 LEU H A 113 GLU HB2 1.0 1.8 4.0 1164 965 A 114 LEU H A 113 GLU HB3 1.0 1.8 4.0 1165 966 A 36 ILE HG2% A 37 LEU HB2 1.0 1.8 4.0 1166 966 A 36 ILE HG2% A 37 LEU HB3 1.0 1.8 4.0 1167 967 A 7 SER H A 5 SER HBx 1.0 1.8 3.5 1168 968 A 9 THR HG2% A 11 ASN HA 1.0 1.8 6.5 1169 969 A 9 THR HA A 12 ALA HB% 1.0 1.8 5.5 1170 970 A 9 THR HG2% A 12 ALA HB% 1.0 1.8 4.0 1171 971 A 9 THR HG2% A 12 ALA H 1.0 1.8 6.5 1172 972 A 15 VAL HGy% A 13 VAL HB 1.0 1.8 6.5 1173 973 A 15 VAL HGy% A 13 VAL HGy% 1.0 1.8 5.0 1174 974 A 14 VAL HGx% A 16 PHE HA 1.0 1.8 6.5 1175 975 A 14 VAL HGx% A 16 PHE HBy 1.0 1.8 5.5 1176 976 A 14 VAL HGx% A 16 PHE HBx 1.0 1.8 6.5 1177 977 A 14 VAL HGx% A 16 PHE HDy 1.0 1.8 4.0 1178 978 A 14 VAL HGx% A 16 PHE HEy 1.0 1.8 5.5 1179 979 A 14 VAL HGy% A 16 PHE HDy 1.0 1.8 6.5 1180 980 A 15 VAL HB A 18 TYR HEx 1.0 1.8 4.0 1181 980 A 15 VAL HB A 18 TYR HEy 1.0 1.8 4.0 1182 981 A 15 VAL HGx% A 18 TYR HDy 1.0 1.8 5.0 1183 982 A 15 VAL HGx% A 18 TYR HEy 1.0 1.8 3.5 1184 983 A 15 VAL HGy% A 18 TYR HEy 1.0 1.8 5.5 1185 984 A 16 PHE HA A 18 TYR HEy 1.0 1.8 6.0 1186 985 A 16 PHE HA A 18 TYR H 1.0 1.8 6.0 1187 986 A 18 TYR HA A 22 ILE HD1% 1.0 1.8 5.5 1188 987 A 18 TYR HBx A 22 ILE HD1% 1.0 1.8 4.0 1189 988 A 18 TYR HBx A 22 ILE HG2% 1.0 1.8 5.5 1190 989 A 18 TYR HBy A 22 ILE HD1% 1.0 1.8 5.5 1191 990 A 18 TYR HBy A 22 ILE HG2% 1.0 1.8 5.5 1192 991 A 18 TYR HDx A 23 THR HA 1.0 1.8 6.0 1193 992 A 19 ARG HA A 21 ALA H 1.0 1.8 6.0 1194 993 A 19 ARG HE A 21 ALA HB% 1.0 1.8 6.5 1195 994 A 19 ARG HGx A 21 ALA HA 1.0 1.8 6.0 1196 995 A 19 ARG HGx A 21 ALA H 1.0 1.8 6.0 1197 996 A 21 ALA H A 19 ARG HGy 1.0 1.8 5.0 1198 997 A 19 ARG HBy A 22 ILE HG2% 1.0 1.8 5.5 1199 998 A 19 ARG HBy A 22 ILE H 1.0 1.8 6.0 1200 999 A 19 ARG HE A 22 ILE HG2% 1.0 1.8 6.5 1201 1000 A 19 ARG HGx A 22 ILE H 1.0 1.8 6.0 1202 1001 A 22 ILE H A 19 ARG HGy 1.0 1.8 6.0 1203 1002 A 19 ARG H A 22 ILE HD1% 1.0 1.8 5.0 1204 1003 A 22 ILE HA A 25 GLN HGx 1.0 1.8 6.0 1205 1004 A 22 ILE HA A 25 GLN HGy 1.0 1.8 7.0 1206 1005 A 22 ILE HA A 25 GLN H 1.0 1.8 6.0 1207 1006 A 22 ILE HD1% A 25 GLN HGx 1.0 1.8 6.5 1208 1007 A 22 ILE HD1% A 25 GLN HGy 1.0 1.8 6.5 1209 1008 A 22 ILE HG2% A 25 GLN HE21 1.0 1.8 6.5 1210 1009 A 22 ILE HG2% A 25 GLN HE22 1.0 1.8 6.5 1211 1010 A 22 ILE HG2% A 25 GLN HGx 1.0 1.8 6.5 1212 1011 A 22 ILE HG2% A 25 GLN HGy 1.0 1.8 6.5 1213 1012 A 22 ILE HB A 26 ILE HD1% 1.0 1.8 6.5 1214 1013 A 22 ILE HD1% A 26 ILE HB 1.0 1.8 5.5 1215 1014 A 22 ILE HD1% A 26 ILE HD1% 1.0 1.8 5.0 1216 1015 A 22 ILE HD1% A 26 ILE H 1.0 1.8 6.5 1217 1016 A 22 ILE HG2% A 26 ILE HD1% 1.0 1.8 6.0 1218 1017 A 23 THR HA A 26 ILE HB 1.0 1.8 6.0 1219 1018 A 23 THR HA A 26 ILE HD1% 1.0 1.8 6.5 1220 1019 A 23 THR HA A 26 ILE HG2% 1.0 1.8 5.5 1221 1020 A 23 THR HA A 26 ILE H 1.0 1.8 6.0 1222 1021 A 23 THR HG2% A 26 ILE HG2% 1.0 1.8 6.0 1223 1022 A 23 THR HA A 27 LEU HDx% 1.0 1.8 6.5 1224 1023 A 23 THR HG2% A 27 LEU HBy 1.0 1.8 4.0 1225 1024 A 23 THR HG2% A 27 LEU HDx% 1.0 1.8 4.0 1226 1025 A 23 THR HG2% A 27 LEU HDy% 1.0 1.8 5.0 1227 1026 A 23 THR HG2% A 27 LEU H 1.0 1.8 6.5 1228 1027 A 24 LYS HA A 27 LEU HBx 1.0 1.8 6.0 1229 1028 A 24 LYS HA A 27 LEU HBy 1.0 1.8 5.0 1230 1029 A 24 LYS HA A 27 LEU HDx% 1.0 1.8 5.5 1231 1030 A 24 LYS HA A 27 LEU HDy% 1.0 1.8 6.5 1232 1031 A 25 GLN HA A 28 ALA HB% 1.0 1.8 5.0 1233 1032 A 25 GLN HA A 28 ALA H 1.0 1.8 6.0 1234 1033 A 25 GLN HGy A 28 ALA HB% 1.0 1.8 6.5 1235 1034 A 26 ILE HA A 29 TYR HBx 1.0 1.8 5.0 1236 1035 A 26 ILE HA A 29 TYR HDy 1.0 1.8 6.0 1237 1036 A 26 ILE HD1% A 29 TYR HDy 1.0 1.8 6.5 1238 1037 A 26 ILE HG2% A 29 TYR HBx 1.0 1.8 6.5 1239 1038 A 26 ILE HG2% A 29 TYR HDy 1.0 1.8 6.5 1240 1039 A 26 ILE HD1% A 30 PHE HEx 1.0 1.8 6.5 1241 1040 A 26 ILE HG2% A 30 PHE HDx 1.0 1.8 5.0 1242 1041 A 26 ILE HG2% A 30 PHE HEx 1.0 1.8 6.5 1243 1042 A 26 ILE HG2% A 30 PHE HZ 1.0 1.8 6.5 1244 1043 A 26 ILE HG2% A 31 ALA HB% 1.0 1.8 7.0 1245 1044 A 27 LEU HA A 31 ALA H 1.0 1.8 4.0 1246 1045 A 27 LEU HDy% A 31 ALA HB% 1.0 1.8 5.0 1247 1046 A 27 LEU H A 31 ALA HB% 1.0 1.8 6.5 1248 1047 A 31 ALA HB% A 28 ALA HA 1.0 1.8 5.0 1249 1048 A 31 ALA H A 28 ALA HA 1.0 1.8 5.0 1250 1049 A 30 PHE HA A 33 PHE HDx 1.0 1.8 6.0 1251 1050 A 33 PHE H A 31 ALA HA 1.0 1.8 6.0 1252 1051 A 31 ALA HB% A 33 PHE H 1.0 1.8 6.5 1253 1052 A 31 ALA H A 33 PHE H 1.0 1.8 5.0 1254 1053 A 36 ILE HD1% A 31 ALA HA 1.0 1.8 5.0 1255 1054 A 31 ALA HB% A 36 ILE HD1% 1.0 1.8 5.0 1256 1055 A 31 ALA H A 36 ILE HD1% 1.0 1.8 5.5 1257 1056 A 32 GLN HA A 34 GLY H 1.0 1.8 6.0 1258 1057 A 33 PHE H A 36 ILE HD1% 1.0 1.8 7.5 1259 1058 A 36 ILE HD1% A 34 GLY H 1.0 1.8 6.5 1260 1059 A 41 GLU H A 39 ASP HA 1.0 1.8 6.0 1261 1060 A 44 LEU HBx A 47 THR HG2% 1.0 1.8 5.5 1262 1061 A 44 LEU HDx% A 47 THR HG2% 1.0 1.8 6.0 1263 1062 A 49 THR HG2% A 46 ASP HA 1.0 1.8 6.5 1264 1063 A 47 THR HA A 49 THR H 1.0 1.8 3.5 1265 1064 A 47 THR HA A 50 MET HBy 1.0 1.8 6.0 1266 1065 A 48 GLU HA A 51 ARG HDx 1.0 1.8 5.0 1267 1066 A 51 ARG HGx A 48 GLU HA 1.0 1.8 4.0 1268 1067 A 52 THR HB A 55 TYR HBx 1.0 1.8 6.0 1269 1068 A 52 THR HB A 55 TYR HBy 1.0 1.8 6.0 1270 1069 A 57 PHE HEx A 59 GLN HBx 1.0 1.8 6.0 1271 1070 A 60 ALA HB% A 62 ASN H 1.0 1.8 6.5 1272 1071 A 60 ALA HB% A 63 ARG HBy 1.0 1.8 6.5 1273 1072 A 60 ALA HB% A 63 ARG HBx 1.0 1.8 5.0 1274 1073 A 60 ALA HB% A 63 ARG H 1.0 1.8 6.5 1275 1074 A 63 ARG HBy A 65 ARG HA 1.0 1.8 6.0 1276 1075 A 63 ARG HBx A 65 ARG HA 1.0 1.8 6.0 1277 1076 A 66 ILE HD1% A 68 ARG HBy 1.0 1.8 4.0 1278 1077 A 69 GLU HGx A 74 TRP HH2 1.0 1.8 6.0 1279 1078 A 69 GLU HGx A 74 TRP HZ3 1.0 1.8 6.0 1280 1079 A 69 GLU HGy A 74 TRP HH2 1.0 1.8 6.0 1281 1080 A 69 GLU HGy A 74 TRP HZ3 1.0 1.8 6.0 1282 1081 A 74 TRP HE3 A 70 HIS HA 1.0 1.8 6.0 1283 1082 A 70 HIS HA A 74 TRP HZ3 1.0 1.8 6.0 1284 1083 A 75 THR HA A 70 HIS HA 1.0 1.8 5.0 1285 1084 A 75 THR HG2% A 70 HIS HBy 1.0 1.8 6.5 1286 1085 A 70 HIS HBx A 75 THR HA 1.0 1.8 6.0 1287 1086 A 70 HIS HBx A 75 THR HG2% 1.0 1.8 6.5 1288 1087 A 74 TRP HE1 A 71 GLY HAy 1.0 1.8 5.5 1289 1088 A 74 TRP HE1 A 71 GLY HAx 1.0 1.8 5.0 1290 1089 A 74 TRP HE3 A 71 GLY H 1.0 1.8 6.0 1291 1090 A 74 TRP H A 71 GLY H 1.0 1.8 5.0 1292 1091 A 75 THR HA A 71 GLY H 1.0 1.8 6.0 1293 1092 A 72 ARG H A 74 TRP H 1.0 1.8 6.0 1294 1093 A 76 LYS HBx A 74 TRP HZ3 1.0 1.8 6.0 1295 1094 A 76 LYS H A 74 TRP HZ3 1.0 1.8 6.0 1296 1095 A 75 THR HG2% A 77 LEU HDx% 1.0 1.8 5.0 1297 1096 A 75 THR HG2% A 77 LEU HDy% 1.0 1.8 5.0 1298 1097 A 75 THR HG2% A 77 LEU H 1.0 1.8 6.5 1299 1098 A 77 LEU HDx% A 79 TYR HEx 1.0 1.8 6.5 1300 1099 A 79 TYR HBy A 81 ASN H 1.0 1.8 4.0 1301 1100 A 79 TYR HDx A 84 SER HBy 1.0 1.8 5.0 1302 1100 A 79 TYR HDy A 84 SER HBy 1.0 1.8 5.0 1303 1101 A 79 TYR HDx A 84 SER HBx 1.0 1.8 6.0 1304 1101 A 79 TYR HDy A 84 SER HBx 1.0 1.8 6.0 1305 1102 A 83 SER H A 81 ASN HA 1.0 1.8 6.0 1306 1103 A 83 SER H A 81 ASN HBx 1.0 1.8 4.0 1307 1104 A 84 SER H A 81 ASN HBx 1.0 1.8 4.0 1308 1105 A 82 HIS HA A 85 TYR HBx 1.0 1.8 6.0 1309 1106 A 82 HIS HA A 85 TYR HBy 1.0 1.8 7.0 1310 1107 A 82 HIS HA A 85 TYR HDx 1.0 1.8 5.0 1311 1108 A 82 HIS HA A 85 TYR H 1.0 1.8 5.0 1312 1109 A 82 HIS HD2 A 86 LEU HDx% 1.0 1.8 5.5 1313 1110 A 82 HIS HD2 A 86 LEU HDy% 1.0 1.8 5.0 1314 1111 A 86 LEU HDy% A 83 SER HA 1.0 1.8 5.5 1315 1112 A 86 LEU H A 83 SER HA 1.0 1.8 5.0 1316 1113 A 87 ARG H A 84 SER HA 1.0 1.8 5.0 1317 1114 A 88 ALA H A 84 SER HA 1.0 1.8 5.0 1318 1115 A 85 TYR HA A 88 ALA HB% 1.0 1.8 5.5 1319 1116 A 85 TYR HDy A 89 LEU HDx% 1.0 1.8 6.5 1320 1117 A 89 LEU HDx% A 85 TYR HEy 1.0 1.8 6.5 1321 1118 A 89 LEU HDy% A 85 TYR HEy 1.0 1.8 5.0 1322 1119 A 86 LEU HBx A 88 ALA H 1.0 1.8 6.0 1323 1120 A 86 LEU HA A 89 LEU HBx 1.0 1.8 6.0 1324 1121 A 86 LEU HA A 89 LEU HBy 1.0 1.8 6.0 1325 1122 A 86 LEU HA A 89 LEU HDy% 1.0 1.8 5.0 1326 1123 A 86 LEU HA A 89 LEU H 1.0 1.8 6.0 1327 1124 A 86 LEU HDx% A 89 LEU HDx% 1.0 1.8 5.0 1328 1125 A 86 LEU HDx% A 89 LEU HDy% 1.0 1.8 5.0 1329 1126 A 86 LEU HDy% A 89 LEU HDx% 1.0 1.8 6.0 1330 1127 A 89 LEU H A 87 ARG HA 1.0 1.8 6.0 1331 1128 A 90 ARG H A 87 ARG HA 1.0 1.8 6.0 1332 1129 A 88 ALA H A 90 ARG H 1.0 1.8 5.0 1333 1130 A 94 THR HB A 91 GLU HA 1.0 1.8 5.0 1334 1131 A 94 THR HG2% A 91 GLU HA 1.0 1.8 5.5 1335 1132 A 94 THR HG2% A 96 TYR HA 1.0 1.8 6.5 1336 1133 A 94 THR HG2% A 96 TYR HBy 1.0 1.8 5.0 1337 1134 A 95 ILE HG2% A 98 GLY HAx 1.0 1.8 5.0 1338 1135 A 95 ILE HG2% A 98 GLY HAy 1.0 1.8 5.5 1339 1136 A 95 ILE HG2% A 98 GLY H 1.0 1.8 5.0 1340 1137 A 95 ILE HG1y A 99 ALA HB% 1.0 1.8 5.0 1341 1138 A 95 ILE HG2% A 99 ALA HA 1.0 1.8 5.5 1342 1139 A 95 ILE HG2% A 99 ALA HB% 1.0 1.8 6.0 1343 1140 A 95 ILE HG2% A 99 ALA H 1.0 1.8 5.0 1344 1141 A 95 ILE HA A 100 ALA HA 1.0 1.8 3.5 1345 1142 A 95 ILE HA A 100 ALA HB% 1.0 1.8 5.0 1346 1143 A 95 ILE HD1% A 100 ALA HA 1.0 1.8 5.0 1347 1144 A 95 ILE HD1% A 100 ALA HB% 1.0 1.8 4.0 1348 1145 A 95 ILE HD1% A 100 ALA H 1.0 1.8 5.5 1349 1146 A 95 ILE HG2% A 100 ALA HA 1.0 1.8 5.0 1350 1147 A 95 ILE HG2% A 100 ALA HB% 1.0 1.8 6.0 1351 1148 A 96 TYR H A 99 ALA HB% 1.0 1.8 6.5 1352 1149 A 96 TYR H A 99 ALA H 1.0 1.8 4.0 1353 1150 A 96 TYR HBy A 101 ILE HD1% 1.0 1.8 5.0 1354 1151 A 96 TYR HBy A 101 ILE HG2% 1.0 1.8 5.0 1355 1152 A 96 TYR HDx A 101 ILE HD1% 1.0 1.8 5.5 1356 1153 A 96 TYR HDx A 101 ILE HG2% 1.0 1.8 5.5 1357 1154 A 96 TYR HEx A 101 ILE HD1% 1.0 1.8 7.5 1358 1155 A 107 LYS HBx A 104 VAL HGy% 1.0 1.8 5.5 1359 1156 A 108 HIS HA A 106 TYR HEy 1.0 1.8 4.0 1360 1157 A 106 TYR HA A 110 LEU HDy% 1.0 1.8 5.5 1361 1158 A 106 TYR HA A 111 ILE HD1% 1.0 1.8 6.5 1362 1159 A 106 TYR HDx A 111 ILE HD1% 1.0 1.8 5.0 1363 1160 A 106 TYR HEx A 111 ILE HD1% 1.0 1.8 4.0 1364 1161 A 106 TYR HEx A 111 ILE HG1y 1.0 1.8 6.0 1365 1162 A 106 TYR HEx A 111 ILE HG2% 1.0 1.8 5.5 1366 1163 A 109 GLU H A 107 LYS HBx 1.0 1.8 6.0 1367 1164 A 110 LEU HDy% A 107 LYS HBx 1.0 1.8 5.0 1368 1165 A 110 LEU H A 107 LYS HBx 1.0 1.8 5.0 1369 1166 A 107 LYS H A 110 LEU HDy% 1.0 1.8 6.5 1370 1167 A 108 HIS H A 110 LEU H 1.0 1.8 6.0 1371 1168 A 108 HIS HA A 111 ILE HB 1.0 1.8 6.0 1372 1169 A 108 HIS HA A 111 ILE HD1% 1.0 1.8 5.5 1373 1170 A 108 HIS HA A 111 ILE HG1y 1.0 1.8 6.0 1374 1171 A 108 HIS HA A 111 ILE HG1x 1.0 1.8 6.0 1375 1172 A 108 HIS HA A 111 ILE H 1.0 1.8 4.0 1376 1173 A 110 LEU H A 112 SER H 1.0 1.8 6.0 1377 1174 A 113 GLU HGy A 110 LEU HDx% 1.0 1.8 7.5 1378 1175 A 113 GLU HGx A 110 LEU HDx% 1.0 1.8 6.5 1379 1176 A 114 LEU HDx% A 110 LEU HDx% 1.0 1.8 5.0 1380 1177 A 114 LEU HDy% A 110 LEU HDx% 1.0 1.8 5.0 1381 1178 A 114 LEU HG A 110 LEU HDx% 1.0 1.8 6.5 1382 1179 A 114 LEU HDy% A 110 LEU HDy% 1.0 1.8 5.0 1383 1180 A 110 LEU HG A 114 LEU HDy% 1.0 1.8 6.5 1384 1181 A 111 ILE HA A 114 LEU HDx% 1.0 1.8 6.5 1385 1182 A 111 ILE HA A 114 LEU HDy% 1.0 1.8 5.5 1386 1183 A 111 ILE HD1% A 114 LEU HDy% 1.0 1.8 5.0 1387 1184 A 111 ILE HA A 115 SER H 1.0 1.8 6.0 1388 1185 A 114 LEU H A 112 SER H 1.0 1.8 5.0 1389 1186 A 115 SER H A 112 SER HA 1.0 1.8 3.5 1390 1187 A 113 GLU HA A 116 ARG HGx 1.0 1.8 6.0 1391 1188 A 113 GLU HA A 116 ARG H 1.0 1.8 4.0 1392 1189 A 115 SER H A 117 GLU H 1.0 1.8 6.0 1393 1190 A 119 HIS H A 117 GLU HA 1.0 1.8 6.0 1394 1191 A 107 LYS HD3 A 110 LEU HDy% 1.0 1.8 5.5 1395 1191 A 110 LEU HDy% A 107 LYS HD2 1.0 1.8 5.5 1396 1192 A 22 ILE HG2% A 19 ARG HD2 1.0 1.8 6.5 1397 1192 A 22 ILE HG2% A 19 ARG HD3 1.0 1.8 6.5 1398 1193 A 113 GLU HA A 116 ARG HB2 1.0 1.8 5.0 1399 1193 A 113 GLU HA A 116 ARG HB3 1.0 1.8 5.0 1400 1194 A 60 ALA HB% A 63 ARG HD2 1.0 1.8 5.5 1401 1194 A 60 ALA HB% A 63 ARG HD3 1.0 1.8 5.5 1402 1195 A 12 ALA H A 10 GLY HA2 1.0 1.8 5.0 1403 1195 A 12 ALA H A 10 GLY HA3 1.0 1.8 5.0 1404 1196 A 107 LYS HG3 A 104 VAL HGy% 1.0 1.8 5.5 1405 1196 A 104 VAL HGy% A 107 LYS HG2 1.0 1.8 5.5 1406 1197 A 107 LYS HD3 A 110 LEU HB2 1.0 1.8 4.0 1407 1197 A 107 LYS HD2 A 110 LEU HB2 1.0 1.8 4.0 1408 1197 A 110 LEU HB3 A 107 LYS HD2 1.0 1.8 4.0 1409 1197 A 107 LYS HD3 A 110 LEU HB3 1.0 1.8 4.0 1410 1198 A 110 LEU HDy% A 107 LYS HG2 1.0 1.8 6.5 1411 1198 A 107 LYS HG3 A 110 LEU HDy% 1.0 1.8 6.5 1412 1199 A 112 SER HB2 A 109 GLU HGx 1.0 1.8 6.0 1413 1199 A 109 GLU HGx A 112 SER HB3 1.0 1.8 6.0 1414 1200 A 109 GLU HB3 A 112 SER HB3 1.0 1.8 6.0 1415 1200 A 109 GLU HB2 A 112 SER HB3 1.0 1.8 6.0 1416 1200 A 112 SER HB2 A 109 GLU HB2 1.0 1.8 6.0 1417 1200 A 112 SER HB2 A 109 GLU HB3 1.0 1.8 6.0 1418 1201 A 21 ALA HB% A 19 ARG HD2 1.0 1.8 5.0 1419 1201 A 21 ALA HB% A 19 ARG HD3 1.0 1.8 5.0 1420 1202 A 109 GLU HA A 112 SER HB3 1.0 1.8 4.0 1421 1202 A 109 GLU HA A 112 SER HB2 1.0 1.8 4.0 1422 1203 A 18 TYR HA A 22 ILE HG12 1.0 1.8 4.0 1423 1203 A 18 TYR HA A 22 ILE HG13 1.0 1.8 4.0 1424 1204 A 44 LEU HDx% A 48 GLU HG2 1.0 1.8 6.5 1425 1204 A 44 LEU HDx% A 48 GLU HG3 1.0 1.8 6.5 1426 1205 A 22 ILE HG2% A 19 ARG HD2 1.0 1.8 6.5 1427 1205 A 22 ILE HG2% A 19 ARG HD3 1.0 1.8 6.5 1428 1206 A 28 ALA HB% A 25 GLN HB2 1.0 1.8 6.5 1429 1206 A 28 ALA HB% A 25 GLN HB3 1.0 1.8 6.5 1430 1207 A 107 LYS HD3 A 110 LEU HDy% 1.0 1.8 5.5 1431 1207 A 110 LEU HDy% A 107 LYS HD2 1.0 1.8 5.5 1432 1208 A 107 LYS HG3 A 104 VAL HGx% 1.0 1.8 5.5 1433 1208 A 104 VAL HGx% A 107 LYS HG2 1.0 1.8 5.5 1434 1209 A 114 LEU HDy% A 110 LEU HB2 1.0 1.8 6.5 1435 1209 A 114 LEU HDy% A 110 LEU HB3 1.0 1.8 6.5 1436 1210 A 110 LEU HA A 113 GLU HB2 1.0 1.8 5.0 1437 1210 A 110 LEU HA A 113 GLU HB3 1.0 1.8 5.0 1438 1211 A 18 TYR HDx A 22 ILE HG12 1.0 1.8 6.0 1439 1211 A 18 TYR HDx A 22 ILE HG13 1.0 1.8 6.0 1440 1212 A 113 GLU HB3 A 110 LEU HDx% 1.0 1.8 5.0 1441 1212 A 110 LEU HDx% A 113 GLU HB2 1.0 1.8 5.0 1442 1213 A 86 LEU HDy% A 83 SER HB2 1.0 1.8 6.5 1443 1213 A 86 LEU HDy% A 83 SER HB3 1.0 1.8 6.5 1444 1214 A 18 TYR HBy A 22 ILE HG12 1.0 1.8 6.0 1445 1214 A 18 TYR HBy A 22 ILE HG13 1.0 1.8 6.0 1446 1215 A 114 LEU HDy% A 110 LEU HDx% 1.0 1.8 5.5 1447 1215 A 114 LEU HDy% A 110 LEU HDy% 1.0 1.8 5.5 1448 1216 A 60 ALA HB% A 63 ARG HD2 1.0 1.8 5.0 1449 1216 A 60 ALA HB% A 63 ARG HD3 1.0 1.8 5.0 1450 1217 A 107 LYS HBy A 110 LEU HB2 1.0 1.8 6.0 1451 1217 A 107 LYS HBy A 110 LEU HB3 1.0 1.8 6.0 1452 1218 A 26 ILE HD1% A 22 ILE HG12 1.0 1.8 5.0 1453 1218 A 26 ILE HD1% A 22 ILE HG13 1.0 1.8 5.0 1454 1219 A 110 LEU HDy% A 113 GLU HB2 1.0 1.8 6.0 1455 1219 A 110 LEU HDx% A 113 GLU HB2 1.0 1.8 6.0 1456 1219 A 113 GLU HB3 A 110 LEU HDx% 1.0 1.8 6.0 1457 1219 A 113 GLU HB3 A 110 LEU HDy% 1.0 1.8 6.0 1458 1220 A 113 GLU H A 109 GLU HGx 1.0 1.8 4.0 1459 1220 A 113 GLU H A 109 GLU HGy 1.0 1.8 4.0 1460 1221 A 109 GLU H A 107 LYS HG2 1.0 1.8 5.0 1461 1221 A 109 GLU H A 107 LYS HG3 1.0 1.8 5.0 1462 1222 A 21 ALA HB% A 19 ARG HD2 1.0 1.8 5.5 1463 1222 A 21 ALA HB% A 19 ARG HD3 1.0 1.8 5.5 1464 1223 A 19 ARG H A 22 ILE HG12 1.0 1.8 4.0 1465 1223 A 19 ARG H A 22 ILE HG13 1.0 1.8 4.0 1466 1224 A 18 TYR HBx A 22 ILE HG12 1.0 1.8 6.0 1467 1224 A 18 TYR HBx A 22 ILE HG13 1.0 1.8 6.0 1468 1225 A 66 ILE HD1% A 68 ARG HD2 1.0 1.8 5.5 1469 1225 A 66 ILE HD1% A 68 ARG HD3 1.0 1.8 5.5 1470 1226 A 57 PHE HEx A 59 GLN HG2 1.0 1.8 6.0 1471 1226 A 57 PHE HEx A 59 GLN HG3 1.0 1.8 6.0 1472 1227 A 94 THR HG2% A 96 TYR HDx 1.0 1.8 5.0 1473 1228 A 9 THR HA A 106 TYR HDy 1.0 1.8 6.0 1474 1229 A 106 TYR HDy A 9 THR HB 1.0 1.8 6.0 1475 1230 A 11 ASN HBx A 78 THR HG2% 1.0 1.8 5.5 1476 1231 A 11 ASN HD21 A 82 HIS H 1.0 1.8 7.0 1477 1232 A 12 ALA HB% A 76 LYS HEy 1.0 1.8 5.0 1478 1233 A 12 ALA HB% A 76 LYS HEx 1.0 1.8 5.0 1479 1234 A 12 ALA HB% A 77 LEU H 1.0 1.8 5.5 1480 1235 A 78 THR HA A 12 ALA HA 1.0 1.8 4.0 1481 1236 A 78 THR HG2% A 12 ALA HA 1.0 1.8 5.5 1482 1237 A 12 ALA HB% A 78 THR HA 1.0 1.8 5.0 1483 1238 A 12 ALA HB% A 78 THR HB 1.0 1.8 5.5 1484 1239 A 12 ALA HB% A 78 THR HG2% 1.0 1.8 4.0 1485 1240 A 12 ALA H A 78 THR HG2% 1.0 1.8 6.5 1486 1241 A 79 TYR H A 12 ALA HA 1.0 1.8 5.0 1487 1242 A 12 ALA HB% A 79 TYR H 1.0 1.8 6.5 1488 1243 A 12 ALA H A 85 TYR HDx 1.0 1.8 6.0 1489 1244 A 12 ALA H A 85 TYR HEx 1.0 1.8 6.0 1490 1245 A 12 ALA HB% A 106 TYR HBy 1.0 1.8 5.5 1491 1246 A 12 ALA HB% A 106 TYR HBx 1.0 1.8 5.5 1492 1247 A 12 ALA HB% A 106 TYR HDx 1.0 1.8 5.5 1493 1248 A 12 ALA HB% A 106 TYR H 1.0 1.8 5.5 1494 1249 A 77 LEU HBx A 13 VAL HGy% 1.0 1.8 5.5 1495 1250 A 77 LEU HDx% A 13 VAL HGy% 1.0 1.8 5.0 1496 1251 A 13 VAL H A 77 LEU H 1.0 1.8 5.0 1497 1252 A 78 THR HA A 13 VAL HGy% 1.0 1.8 6.5 1498 1253 A 13 VAL H A 78 THR HA 1.0 1.8 5.0 1499 1254 A 79 TYR HDx A 13 VAL HGx% 1.0 1.8 6.5 1500 1255 A 85 TYR HDx A 13 VAL HGx% 1.0 1.8 5.0 1501 1256 A 85 TYR HEx A 13 VAL HGx% 1.0 1.8 4.0 1502 1257 A 85 TYR HDx A 13 VAL HGy% 1.0 1.8 5.0 1503 1258 A 88 ALA HB% A 13 VAL HGx% 1.0 1.8 5.0 1504 1259 A 88 ALA HB% A 13 VAL HGy% 1.0 1.8 6.0 1505 1260 A 13 VAL HA A 89 LEU HDx% 1.0 1.8 6.5 1506 1261 A 89 LEU HDx% A 13 VAL HB 1.0 1.8 5.5 1507 1262 A 89 LEU HDx% A 13 VAL HGx% 1.0 1.8 5.0 1508 1263 A 89 LEU HDy% A 13 VAL HGx% 1.0 1.8 5.0 1509 1264 A 89 LEU H A 13 VAL HGy% 1.0 1.8 6.5 1510 1265 A 13 VAL HA A 105 PRO HA 1.0 1.8 5.0 1511 1266 A 13 VAL HA A 106 TYR H 1.0 1.8 4.0 1512 1267 A 106 TYR H A 13 VAL HB 1.0 1.8 7.0 1513 1268 A 106 TYR H A 13 VAL HGx% 1.0 1.8 6.5 1514 1269 A 14 VAL HGx% A 74 TRP HE3 1.0 1.8 5.0 1515 1270 A 14 VAL HGx% A 74 TRP HZ3 1.0 1.8 5.5 1516 1271 A 14 VAL HGy% A 74 TRP HE3 1.0 1.8 5.5 1517 1272 A 14 VAL HGx% A 75 THR H 1.0 1.8 5.5 1518 1273 A 14 VAL HA A 76 LYS HA 1.0 1.8 5.0 1519 1274 A 14 VAL HA A 76 LYS HBy 1.0 1.8 6.0 1520 1275 A 14 VAL HGx% A 76 LYS HA 1.0 1.8 5.5 1521 1276 A 14 VAL HGx% A 76 LYS HBx 1.0 1.8 5.0 1522 1277 A 14 VAL HGy% A 76 LYS HA 1.0 1.8 5.5 1523 1278 A 14 VAL HA A 77 LEU H 1.0 1.8 6.0 1524 1279 A 14 VAL HGy% A 77 LEU H 1.0 1.8 6.5 1525 1280 A 14 VAL HB A 104 VAL HGx% 1.0 1.8 5.5 1526 1281 A 14 VAL HB A 104 VAL HGy% 1.0 1.8 5.0 1527 1282 A 14 VAL H A 104 VAL H 1.0 1.8 5.0 1528 1283 A 14 VAL HGx% A 106 TYR HDx 1.0 1.8 6.5 1529 1284 A 14 VAL HGx% A 106 TYR HEx 1.0 1.8 6.0 1530 1285 A 14 VAL HGy% A 106 TYR HA 1.0 1.8 4.0 1531 1286 A 14 VAL HGy% A 106 TYR HDx 1.0 1.8 4.0 1532 1287 A 14 VAL HGy% A 106 TYR HEx 1.0 1.8 5.0 1533 1288 A 14 VAL HGy% A 106 TYR H 1.0 1.8 6.5 1534 1289 A 14 VAL H A 106 TYR H 1.0 1.8 6.0 1535 1290 A 14 VAL HGy% A 107 LYS H 1.0 1.8 6.5 1536 1291 A 14 VAL HB A 110 LEU HDy% 1.0 1.8 4.0 1537 1292 A 14 VAL HGx% A 110 LEU HDx% 1.0 1.8 6.0 1538 1293 A 14 VAL HGx% A 110 LEU HDy% 1.0 1.8 5.0 1539 1294 A 14 VAL HGy% A 110 LEU HDx% 1.0 1.8 5.0 1540 1295 A 14 VAL HGy% A 110 LEU HDy% 1.0 1.8 5.0 1541 1296 A 14 VAL HGx% A 111 ILE HD1% 1.0 1.8 5.0 1542 1297 A 14 VAL HGy% A 111 ILE HD1% 1.0 1.8 5.0 1543 1298 A 14 VAL HGx% A 114 LEU HDx% 1.0 1.8 6.0 1544 1299 A 14 VAL HGx% A 114 LEU HDy% 1.0 1.8 5.0 1545 1300 A 14 VAL HGy% A 114 LEU HDy% 1.0 1.8 6.0 1546 1301 A 15 VAL HGx% A 26 ILE HD1% 1.0 1.8 6.0 1547 1302 A 15 VAL HGx% A 26 ILE HG2% 1.0 1.8 6.0 1548 1303 A 15 VAL HGx% A 30 PHE HEy 1.0 1.8 5.5 1549 1304 A 15 VAL HGy% A 30 PHE HDy 1.0 1.8 5.5 1550 1305 A 15 VAL HGy% A 30 PHE HEy 1.0 1.8 5.5 1551 1306 A 15 VAL HGy% A 30 PHE HZ 1.0 1.8 6.5 1552 1307 A 15 VAL HB A 75 THR HG2% 1.0 1.8 5.0 1553 1308 A 15 VAL HB A 75 THR H 1.0 1.8 6.0 1554 1309 A 15 VAL HGy% A 75 THR HG2% 1.0 1.8 5.0 1555 1310 A 15 VAL H A 75 THR HG2% 1.0 1.8 5.5 1556 1311 A 15 VAL H A 75 THR H 1.0 1.8 5.0 1557 1312 A 15 VAL HGx% A 76 LYS HA 1.0 1.8 6.5 1558 1313 A 15 VAL H A 76 LYS HA 1.0 1.8 5.0 1559 1314 A 15 VAL HB A 77 LEU HDy% 1.0 1.8 6.5 1560 1315 A 15 VAL HGy% A 77 LEU HBx 1.0 1.8 6.5 1561 1316 A 15 VAL HGy% A 77 LEU HDx% 1.0 1.8 5.0 1562 1317 A 15 VAL HGy% A 101 ILE HD1% 1.0 1.8 5.0 1563 1318 A 15 VAL HGx% A 102 GLY H 1.0 1.8 5.5 1564 1319 A 15 VAL HA A 103 CYS HA 1.0 1.8 5.0 1565 1320 A 15 VAL HGx% A 103 CYS HA 1.0 1.8 5.5 1566 1321 A 15 VAL HGy% A 103 CYS HA 1.0 1.8 5.5 1567 1322 A 15 VAL HGy% A 103 CYS HBx 1.0 1.8 6.5 1568 1323 A 15 VAL HGy% A 103 CYS HBy 1.0 1.8 6.5 1569 1324 A 15 VAL HA A 104 VAL H 1.0 1.8 6.0 1570 1325 A 16 PHE HA A 74 TRP HA 1.0 1.8 5.0 1571 1326 A 16 PHE HBy A 74 TRP HA 1.0 1.8 6.0 1572 1327 A 16 PHE HA A 75 THR H 1.0 1.8 6.0 1573 1328 A 16 PHE H A 102 GLY H 1.0 1.8 5.0 1574 1329 A 16 PHE HDy A 104 VAL HGx% 1.0 1.8 6.5 1575 1330 A 16 PHE HDy A 104 VAL HGy% 1.0 1.8 5.0 1576 1331 A 16 PHE HEy A 104 VAL HGx% 1.0 1.8 5.5 1577 1332 A 104 VAL HGy% A 16 PHE HEy 1.0 1.8 5.0 1578 1333 A 16 PHE HZ A 104 VAL HGx% 1.0 1.8 5.5 1579 1334 A 104 VAL HGy% A 16 PHE HZ 1.0 1.8 5.5 1580 1335 A 16 PHE HDy A 110 LEU HDx% 1.0 1.8 5.5 1581 1336 A 110 LEU HDy% A 16 PHE HEy 1.0 1.8 5.5 1582 1337 A 16 PHE HA A 114 LEU HDx% 1.0 1.8 7.5 1583 1338 A 16 PHE HBy A 114 LEU HDx% 1.0 1.8 5.5 1584 1339 A 16 PHE HBy A 114 LEU HDy% 1.0 1.8 6.5 1585 1340 A 16 PHE HBx A 114 LEU HDx% 1.0 1.8 6.5 1586 1341 A 16 PHE HBx A 114 LEU HDy% 1.0 1.8 6.5 1587 1342 A 16 PHE HDy A 114 LEU HDx% 1.0 1.8 5.5 1588 1343 A 17 GLY H A 74 TRP HA 1.0 1.8 6.0 1589 1344 A 17 GLY HAx A 102 GLY H 1.0 1.8 4.0 1590 1345 A 18 TYR HA A 26 ILE HD1% 1.0 1.8 6.5 1591 1346 A 18 TYR HBx A 26 ILE HD1% 1.0 1.8 5.0 1592 1347 A 18 TYR HBy A 26 ILE HD1% 1.0 1.8 5.5 1593 1348 A 18 TYR HBy A 26 ILE HG2% 1.0 1.8 6.5 1594 1349 A 18 TYR HDy A 26 ILE HD1% 1.0 1.8 5.5 1595 1350 A 18 TYR HDx A 26 ILE HG2% 1.0 1.8 5.5 1596 1351 A 26 ILE HG2% A 18 TYR HEx 1.0 1.8 5.5 1597 1352 A 36 ILE HD1% A 18 TYR HEx 1.0 1.8 6.0 1598 1352 A 18 TYR HEy A 36 ILE HD1% 1.0 1.8 6.0 1599 1353 A 36 ILE HG2% A 18 TYR HEx 1.0 1.8 5.0 1600 1354 A 18 TYR HA A 37 LEU HDy% 1.0 1.8 6.5 1601 1355 A 18 TYR HDx A 37 LEU HDy% 1.0 1.8 6.5 1602 1356 A 73 THR HA A 18 TYR HEx 1.0 1.8 6.0 1603 1357 A 18 TYR H A 73 THR HA 1.0 1.8 6.0 1604 1358 A 18 TYR H A 73 THR HB 1.0 1.8 5.0 1605 1359 A 18 TYR H A 73 THR HG2% 1.0 1.8 6.5 1606 1360 A 74 TRP HA A 18 TYR HEx 1.0 1.8 5.5 1607 1360 A 18 TYR HEy A 74 TRP HA 1.0 1.8 5.5 1608 1361 A 18 TYR HDx A 75 THR HG2% 1.0 1.8 6.5 1609 1362 A 75 THR HG2% A 18 TYR HEx 1.0 1.8 5.0 1610 1363 A 75 THR H A 18 TYR HEx 1.0 1.8 6.0 1611 1364 A 18 TYR HA A 99 ALA HB% 1.0 1.8 5.5 1612 1365 A 18 TYR HDy A 101 ILE HG2% 1.0 1.8 5.5 1613 1366 A 18 TYR H A 101 ILE HD1% 1.0 1.8 6.5 1614 1367 A 18 TYR H A 101 ILE HG2% 1.0 1.8 6.5 1615 1368 A 19 ARG HBy A 37 LEU HDy% 1.0 1.8 6.5 1616 1369 A 19 ARG HBx A 37 LEU HDy% 1.0 1.8 6.5 1617 1370 A 19 ARG HA A 73 THR HG2% 1.0 1.8 4.0 1618 1371 A 20 GLU HGy A 38 GLU HBy 1.0 1.8 6.0 1619 1372 A 20 GLU HGx A 39 ASP H 1.0 1.8 6.0 1620 1373 A 20 GLU H A 73 THR HG2% 1.0 1.8 6.0 1621 1374 A 22 ILE HD1% A 36 ILE HB 1.0 1.8 5.5 1622 1375 A 22 ILE HD1% A 36 ILE HD1% 1.0 1.8 6.0 1623 1376 A 22 ILE HD1% A 37 LEU HDy% 1.0 1.8 5.0 1624 1377 A 22 ILE HB A 96 TYR HEy 1.0 1.8 4.0 1625 1378 A 22 ILE HD1% A 96 TYR HBx 1.0 1.8 6.5 1626 1379 A 22 ILE HD1% A 96 TYR HDy 1.0 1.8 5.0 1627 1380 A 22 ILE HD1% A 96 TYR HEy 1.0 1.8 5.0 1628 1381 A 22 ILE HG2% A 96 TYR HDy 1.0 1.8 6.5 1629 1382 A 22 ILE HG2% A 96 TYR HEy 1.0 1.8 6.5 1630 1383 A 22 ILE HD1% A 97 CYS HBx 1.0 1.8 5.0 1631 1384 A 22 ILE HD1% A 97 CYS HBy 1.0 1.8 5.5 1632 1385 A 22 ILE HG2% A 97 CYS HBx 1.0 1.8 6.5 1633 1386 A 22 ILE HG2% A 97 CYS HBy 1.0 1.8 6.5 1634 1387 A 23 THR HG2% A 38 GLU H 1.0 1.8 5.0 1635 1388 A 23 THR HG2% A 40 LEU HDx% 1.0 1.8 5.0 1636 1389 A 23 THR HG2% A 40 LEU HDy% 1.0 1.8 5.0 1637 1390 A 24 LYS HD3 A 41 GLU H 1.0 1.8 6.0 1638 1391 A 25 GLN HGx A 96 TYR HEy 1.0 1.8 6.0 1639 1392 A 26 ILE HD1% A 36 ILE HG2% 1.0 1.8 7.0 1640 1393 A 26 ILE HG2% A 36 ILE HG2% 1.0 1.8 5.0 1641 1394 A 26 ILE HG2% A 75 THR HG2% 1.0 1.8 6.0 1642 1395 A 26 ILE HA A 96 TYR HEy 1.0 1.8 6.0 1643 1396 A 26 ILE HD1% A 96 TYR HDy 1.0 1.8 4.0 1644 1397 A 26 ILE HD1% A 96 TYR HEy 1.0 1.8 5.5 1645 1398 A 26 ILE HG1x A 96 TYR HEy 1.0 1.8 5.0 1646 1399 A 26 ILE HG2% A 96 TYR HBy 1.0 1.8 6.5 1647 1400 A 26 ILE HB A 101 ILE HD1% 1.0 1.8 5.5 1648 1401 A 26 ILE HD1% A 101 ILE HD1% 1.0 1.8 5.0 1649 1402 A 26 ILE HD1% A 101 ILE HG1y 1.0 1.8 6.5 1650 1403 A 26 ILE HD1% A 101 ILE HG2% 1.0 1.8 5.0 1651 1404 A 26 ILE HG1y A 101 ILE HG2% 1.0 1.8 5.0 1652 1405 A 26 ILE HG2% A 101 ILE HD1% 1.0 1.8 5.0 1653 1406 A 27 LEU H A 37 LEU HDy% 1.0 1.8 6.5 1654 1407 A 27 LEU HDy% A 40 LEU HDy% 1.0 1.8 5.0 1655 1408 A 27 LEU HDy% A 40 LEU HG 1.0 1.8 5.5 1656 1409 A 27 LEU HDx% A 43 GLU HBx 1.0 1.8 6.5 1657 1410 A 27 LEU HDx% A 43 GLU HBy 1.0 1.8 6.5 1658 1411 A 27 LEU HDy% A 43 GLU HA 1.0 1.8 5.5 1659 1412 A 27 LEU HDy% A 44 LEU HA 1.0 1.8 6.5 1660 1413 A 44 LEU HDx% A 28 ALA HA 1.0 1.8 5.5 1661 1414 A 44 LEU HDy% A 28 ALA HA 1.0 1.8 5.5 1662 1415 A 28 ALA HB% A 44 LEU HDy% 1.0 1.8 5.0 1663 1416 A 28 ALA H A 44 LEU HDy% 1.0 1.8 5.5 1664 1417 A 94 THR HG2% A 29 TYR HEy 1.0 1.8 5.5 1665 1418 A 29 TYR HDy A 101 ILE HD1% 1.0 1.8 6.5 1666 1419 A 101 ILE HD1% A 29 TYR HEy 1.0 1.8 5.5 1667 1420 A 30 PHE HBy A 77 LEU HDx% 1.0 1.8 5.5 1668 1421 A 30 PHE HBx A 77 LEU HDx% 1.0 1.8 5.5 1669 1422 A 30 PHE HDy A 88 ALA HB% 1.0 1.8 5.5 1670 1423 A 30 PHE HEy A 88 ALA HA 1.0 1.8 6.0 1671 1424 A 88 ALA HB% A 30 PHE HEy 1.0 1.8 5.0 1672 1425 A 90 ARG HGx A 30 PHE HZ 1.0 1.8 5.0 1673 1426 A 90 ARG HGy A 30 PHE HZ 1.0 1.8 6.0 1674 1427 A 30 PHE HDx A 101 ILE HD1% 1.0 1.8 6.5 1675 1428 A 101 ILE HD1% A 30 PHE HEx 1.0 1.8 5.0 1676 1429 A 101 ILE HG2% A 30 PHE HEx 1.0 1.8 5.5 1677 1430 A 101 ILE HD1% A 30 PHE HZ 1.0 1.8 5.0 1678 1431 A 101 ILE HG2% A 30 PHE HZ 1.0 1.8 6.5 1679 1432 A 31 ALA HB% A 44 LEU HDx% 1.0 1.8 5.0 1680 1433 A 31 ALA HB% A 44 LEU HDy% 1.0 1.8 5.0 1681 1434 A 35 GLU HBx A 66 ILE HB 1.0 1.8 6.0 1682 1435 A 36 ILE HB A 66 ILE HD1% 1.0 1.8 5.5 1683 1436 A 36 ILE HG2% A 66 ILE HD1% 1.0 1.8 6.0 1684 1437 A 36 ILE HD1% A 75 THR HG2% 1.0 1.8 4.0 1685 1438 A 66 ILE HB A 38 GLU HA 1.0 1.8 5.0 1686 1439 A 66 ILE HG2% A 38 GLU HA 1.0 1.8 5.5 1687 1440 A 38 GLU H A 66 ILE HG2% 1.0 1.8 6.5 1688 1441 A 43 GLU HBx A 51 ARG HE 1.0 1.8 6.0 1689 1442 A 44 LEU HDx% A 51 ARG HGx 1.0 1.8 5.0 1690 1443 A 44 LEU HDy% A 51 ARG HGx 1.0 1.8 5.5 1691 1444 A 52 THR HA A 79 TYR HA 1.0 1.8 5.0 1692 1445 A 80 ALA HB% A 53 PRO HGy 1.0 1.8 4.0 1693 1446 A 66 ILE HB A 75 THR HG2% 1.0 1.8 6.5 1694 1447 A 66 ILE HG1x A 75 THR HG2% 1.0 1.8 5.5 1695 1448 A 66 ILE HD1% A 78 THR HB 1.0 1.8 6.5 1696 1449 A 68 ARG HBy A 78 THR HB 1.0 1.8 6.0 1697 1450 A 76 LYS H A 70 HIS HA 1.0 1.8 6.0 1698 1451 A 111 ILE HD1% A 74 TRP HE3 1.0 1.8 6.5 1699 1452 A 111 ILE HD1% A 74 TRP HH2 1.0 1.8 5.5 1700 1453 A 111 ILE HG2% A 74 TRP HH2 1.0 1.8 5.5 1701 1454 A 111 ILE HG2% A 74 TRP HZ2 1.0 1.8 5.5 1702 1455 A 111 ILE HD1% A 74 TRP HZ3 1.0 1.8 6.5 1703 1456 A 111 ILE HG2% A 74 TRP HZ3 1.0 1.8 6.5 1704 1457 A 114 LEU HDx% A 74 TRP HBx 1.0 1.8 6.5 1705 1458 A 114 LEU HDx% A 74 TRP HBy 1.0 1.8 6.5 1706 1459 A 74 TRP HD1 A 114 LEU HDx% 1.0 1.8 5.5 1707 1460 A 74 TRP HE1 A 114 LEU HBy 1.0 1.8 6.0 1708 1461 A 74 TRP HE1 A 115 SER HA 1.0 1.8 5.0 1709 1462 A 115 SER HA A 74 TRP HZ2 1.0 1.8 6.0 1710 1463 A 115 SER HBx A 74 TRP HZ2 1.0 1.8 7.0 1711 1464 A 74 TRP HZ2 A 115 SER HBy 1.0 1.8 6.0 1712 1465 A 76 LYS HBy A 106 TYR HEx 1.0 1.8 5.0 1713 1466 A 106 TYR HDx A 76 LYS HDx 1.0 1.8 5.0 1714 1467 A 106 TYR HEx A 76 LYS HDx 1.0 1.8 5.0 1715 1468 A 76 LYS HEy A 106 TYR HDx 1.0 1.8 6.0 1716 1469 A 76 LYS HEy A 106 TYR HEx 1.0 1.8 5.0 1717 1470 A 76 LYS HBx A 111 ILE HD1% 1.0 1.8 5.5 1718 1471 A 79 TYR HDx A 85 TYR HA 1.0 1.8 6.0 1719 1472 A 79 TYR HDx A 88 ALA HB% 1.0 1.8 5.0 1720 1473 A 88 ALA HB% A 79 TYR HEx 1.0 1.8 4.0 1721 1474 A 105 PRO HA A 85 TYR HEx 1.0 1.8 4.0 1722 1475 A 85 TYR HEx A 105 PRO HBx 1.0 1.8 5.0 1723 1476 A 106 TYR H A 85 TYR HEx 1.0 1.8 6.0 1724 1477 A 89 LEU HA A 104 VAL HGx% 1.0 1.8 6.5 1725 1478 A 89 LEU HDx% A 104 VAL HA 1.0 1.8 4.0 1726 1479 A 89 LEU HDx% A 104 VAL HB 1.0 1.8 5.5 1727 1480 A 89 LEU HDy% A 104 VAL HGy% 1.0 1.8 7.0 1728 1481 A 89 LEU HDx% A 105 PRO HA 1.0 1.8 5.5 1729 1482 A 89 LEU HDx% A 105 PRO HDx 1.0 1.8 5.0 1730 1483 A 89 LEU HDx% A 105 PRO HDy 1.0 1.8 5.0 1731 1484 A 89 LEU HDx% A 105 PRO HGx 1.0 1.8 5.5 1732 1485 A 89 LEU HDx% A 105 PRO HGy 1.0 1.8 5.5 1733 1486 A 89 LEU HDy% A 105 PRO HGx 1.0 1.8 6.5 1734 1487 A 89 LEU HDy% A 105 PRO HGy 1.0 1.8 6.5 1735 1488 A 90 ARG HGx A 101 ILE HD1% 1.0 1.8 5.5 1736 1489 A 100 ALA HB% A 91 GLU HA 1.0 1.8 5.0 1737 1490 A 100 ALA HB% A 93 GLY HAx 1.0 1.8 6.5 1738 1491 A 94 THR HB A 101 ILE HB 1.0 1.8 6.0 1739 1492 A 94 THR HB A 101 ILE HD1% 1.0 1.8 5.5 1740 1493 A 94 THR HB A 101 ILE HG1y 1.0 1.8 6.0 1741 1494 A 94 THR HG2% A 101 ILE HB 1.0 1.8 5.5 1742 1495 A 94 THR HG2% A 101 ILE HD1% 1.0 1.8 5.0 1743 1496 A 94 THR HG2% A 101 ILE HG1y 1.0 1.8 5.0 1744 1497 A 94 THR HG2% A 101 ILE HG1x 1.0 1.8 4.0 1745 1498 A 95 ILE HA A 101 ILE H 1.0 1.8 6.0 1746 1499 A 110 LEU HDy% A 104 VAL HGx% 1.0 1.8 5.0 1747 1500 A 104 VAL HGy% A 110 LEU HDx% 1.0 1.8 5.0 1748 1501 A 110 LEU HDy% A 104 VAL HGy% 1.0 1.8 4.0 1749 1502 A 40 LEU HB3 A 59 GLN HG2 1.0 1.8 6.0 1750 1502 A 40 LEU HB2 A 59 GLN HG2 1.0 1.8 6.0 1751 1502 A 59 GLN HG3 A 40 LEU HB2 1.0 1.8 6.0 1752 1502 A 40 LEU HB3 A 59 GLN HG3 1.0 1.8 6.0 1753 1503 A 26 ILE HG2% A 37 LEU HB2 1.0 1.8 6.5 1754 1503 A 26 ILE HG2% A 37 LEU HB3 1.0 1.8 6.5 1755 1504 A 88 ALA HB% A 13 VAL HGx% 1.0 1.8 5.0 1756 1504 A 88 ALA HB% A 13 VAL HGy% 1.0 1.8 5.0 1757 1505 A 96 TYR HDy A 22 ILE HG12 1.0 1.8 6.0 1758 1505 A 96 TYR HDy A 22 ILE HG13 1.0 1.8 6.0 1759 1506 A 57 PHE HEx A 40 LEU HB2 1.0 1.8 6.0 1760 1506 A 57 PHE HEx A 40 LEU HB3 1.0 1.8 6.0 1761 1507 A 66 ILE HG2% A 37 LEU HB2 1.0 1.8 5.5 1762 1507 A 66 ILE HG2% A 37 LEU HB3 1.0 1.8 5.5 1763 1508 A 27 LEU HDx% A 43 GLU HG2 1.0 1.8 5.5 1764 1508 A 27 LEU HDx% A 43 GLU HG3 1.0 1.8 5.5 1765 1509 A 40 LEU HDy% A 24 LYS HD2 1.0 1.8 5.0 1766 1509 A 40 LEU HDy% A 24 LYS HD3 1.0 1.8 5.0 1767 1510 A 16 PHE HDy A 110 LEU HDx% 1.0 1.8 7.0 1768 1510 A 16 PHE HDy A 110 LEU HDy% 1.0 1.8 7.0 1769 1511 A 14 VAL HGx% A 74 TRP HBx 1.0 1.8 5.5 1770 1511 A 14 VAL HGx% A 74 TRP HBy 1.0 1.8 5.5 1771 1512 A 17 GLY H A 74 TRP HBx 1.0 1.8 6.0 1772 1512 A 74 TRP HBy A 17 GLY H 1.0 1.8 6.0 1773 1513 A 40 LEU H A 24 LYS HD2 1.0 1.8 5.0 1774 1513 A 40 LEU H A 24 LYS HD3 1.0 1.8 5.0 1775 1514 A 14 VAL HGx% A 110 LEU HDx% 1.0 1.8 5.0 1776 1514 A 14 VAL HGx% A 110 LEU HDy% 1.0 1.8 5.0 1777 1515 A 16 PHE HEy A 110 LEU HDx% 1.0 1.8 7.0 1778 1515 A 110 LEU HDy% A 16 PHE HEy 1.0 1.8 7.0 1779 1516 A 30 PHE HZ A 90 ARG HB2 1.0 1.8 6.0 1780 1516 A 90 ARG HB3 A 30 PHE HZ 1.0 1.8 6.0 1781 1517 A 16 PHE HA A 74 TRP HBx 1.0 1.8 5.0 1782 1517 A 16 PHE HA A 74 TRP HBy 1.0 1.8 5.0 1783 1518 A 37 LEU HDy% A 22 ILE HG12 1.0 1.8 3.5 1784 1518 A 37 LEU HDy% A 22 ILE HG13 1.0 1.8 3.5 1785 1519 A 14 VAL HB A 110 LEU HDx% 1.0 1.8 6.0 1786 1519 A 14 VAL HB A 110 LEU HDy% 1.0 1.8 6.0 1787 1520 A 114 LEU HDy% A 74 TRP HBx 1.0 1.8 6.5 1788 1520 A 114 LEU HDy% A 74 TRP HBy 1.0 1.8 6.5 1789 1521 A 39 ASP HBx A 24 LYS HD2 1.0 1.8 6.0 1790 1521 A 39 ASP HBx A 24 LYS HD3 1.0 1.8 6.0 1791 1522 A 27 LEU HDy% A 43 GLU HG2 1.0 1.8 6.5 1792 1522 A 27 LEU HDy% A 43 GLU HG3 1.0 1.8 6.5 1793 1523 A 39 ASP HA A 24 LYS HD2 1.0 1.8 6.0 1794 1523 A 24 LYS HD3 A 39 ASP HA 1.0 1.8 6.0 1795 1524 A 37 LEU HDx% A 22 ILE HG12 1.0 1.8 4.0 1796 1524 A 37 LEU HDx% A 22 ILE HG13 1.0 1.8 4.0 1797 1525 A 39 ASP HBy A 24 LYS HD2 1.0 1.8 6.0 1798 1525 A 24 LYS HD3 A 39 ASP HBy 1.0 1.8 6.0 1799 1526 A 23 THR HG2% A 43 GLU HG2 1.0 1.8 6.5 1800 1526 A 23 THR HG2% A 43 GLU HG3 1.0 1.8 6.5 1801 1527 A 16 PHE HZ A 104 VAL HGx% 1.0 1.8 6.0 1802 1527 A 104 VAL HGy% A 16 PHE HZ 1.0 1.8 6.0 1803 1528 A 30 PHE HZ A 90 ARG HD2 1.0 1.8 5.0 1804 1528 A 90 ARG HD3 A 30 PHE HZ 1.0 1.8 5.0 1805 1529 A 37 LEU HDx% A 22 ILE HG12 1.0 1.8 4.0 1806 1529 A 37 LEU HDx% A 22 ILE HG13 1.0 1.8 4.0 1807 1530 A 14 VAL HB A 104 VAL HGx% 1.0 1.8 6.0 1808 1530 A 14 VAL HB A 104 VAL HGy% 1.0 1.8 6.0 1809 1531 A 16 PHE HEy A 104 VAL HGx% 1.0 1.8 5.0 1810 1531 A 104 VAL HGy% A 16 PHE HEy 1.0 1.8 5.0 1811 1532 A 57 PHE HEy A 48 GLU HG2 1.0 1.8 6.0 1812 1532 A 57 PHE HEy A 48 GLU HG3 1.0 1.8 6.0 1813 1533 A 106 TYR HDx A 76 LYS HDy 1.0 1.8 3.5 1814 1534 A 9 THR HG2% A 106 TYR HDy 1.0 1.8 5.0 1815 1535 A 26 ILE HG1x A 96 TYR HDy 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 29 TYR HDy A 94 THR HG2% 1.0 1.8 6.0 2 1 A 26 ILE HG1x A 29 TYR HDy 1.0 1.8 6.0 3 2 A 120 HIS H A 120 HIS HA 1.0 1.8 5.0 4 2 A 120 HIS H A 119 HIS HA 1.0 1.8 5.0 5 3 A 73 THR HA A 73 THR H 1.0 1.8 4.0 6 3 A 72 ARG HA A 73 THR H 1.0 1.8 4.0 7 4 A 110 LEU HA A 113 GLU HB2 1.0 1.8 3.5 8 4 A 113 GLU HA A 113 GLU HB2 1.0 1.8 3.5 9 4 A 113 GLU HA A 113 GLU HB3 1.0 1.8 3.5 10 4 A 110 LEU HA A 113 GLU HB3 1.0 1.8 3.5 11 5 A 48 GLU H A 48 GLU HA 1.0 1.8 3.0 12 5 A 47 THR HA A 48 GLU H 1.0 1.8 3.0 13 6 A 67 SER H A 67 SER HA 1.0 1.8 3.0 14 6 A 66 ILE HA A 67 SER H 1.0 1.8 3.0 15 7 A 77 LEU HBy A 77 LEU H 1.0 1.8 4.0 16 7 A 15 VAL HGx% A 77 LEU H 1.0 1.8 4.0 17 8 A 30 PHE HA A 30 PHE H 1.0 1.8 4.0 18 8 A 29 TYR HA A 30 PHE H 1.0 1.8 4.0 19 9 A 10 GLY H A 9 THR HB 1.0 1.8 3.5 20 9 A 9 THR HA A 10 GLY H 1.0 1.8 3.5 21 10 A 52 THR HA A 79 TYR HA 1.0 1.8 5.0 22 10 A 79 TYR HA A 34 GLY HAx 1.0 1.8 5.0 23 11 A 75 THR HG2% A 76 LYS HA 1.0 1.8 6.0 24 11 A 75 THR HG2% A 74 TRP HA 1.0 1.8 6.0 25 12 A 57 PHE HBy A 57 PHE H 1.0 1.8 3.5 26 12 A 56 PHE HBy A 57 PHE H 1.0 1.8 3.5 27 13 A 76 LYS HEx A 76 LYS HG2 1.0 1.8 4.0 28 13 A 76 LYS HG3 A 76 LYS HEx 1.0 1.8 4.0 29 13 A 76 LYS HEx A 76 LYS HDy 1.0 1.8 4.0 30 14 A 24 LYS HGx A 24 LYS HD2 1.0 1.8 3.5 31 14 A 24 LYS HGx A 24 LYS HD3 1.0 1.8 3.5 32 14 A 24 LYS HGx A 24 LYS HBx 1.0 1.8 3.5 33 15 A 49 THR HG2% A 49 THR HB 1.0 1.8 3.0 34 15 A 49 THR HA A 49 THR HG2% 1.0 1.8 3.0 35 16 A 29 TYR HA A 29 TYR HEx 1.0 1.8 6.0 36 16 A 29 TYR HA A 29 TYR HEy 1.0 1.8 6.0 37 16 A 30 PHE HA A 29 TYR HEy 1.0 1.8 6.0 38 16 A 29 TYR HEx A 30 PHE HA 1.0 1.8 6.0 39 17 A 74 TRP HD1 A 114 LEU HDy% 1.0 1.8 6.0 40 17 A 16 PHE HDy A 114 LEU HDy% 1.0 1.8 6.0 41 18 A 24 LYS HA A 24 LYS HBx 1.0 1.8 4.0 42 18 A 24 LYS HA A 24 LYS HD2 1.0 1.8 4.0 43 19 A 88 ALA HB% A 89 LEU HA 1.0 1.8 6.0 44 19 A 88 ALA HB% A 84 SER HA 1.0 1.8 6.0 45 20 A 85 TYR H A 81 ASN HBy 1.0 1.8 6.0 46 20 A 79 TYR HBx A 85 TYR H 1.0 1.8 6.0 47 21 A 13 VAL H A 106 TYR H 1.0 1.8 6.0 48 21 A 13 VAL H A 79 TYR H 1.0 1.8 6.0 49 22 A 117 GLU H A 117 GLU HA 1.0 1.8 3.0 50 22 A 116 ARG HA A 117 GLU H 1.0 1.8 3.0 51 23 A 9 THR H A 9 THR HB 1.0 1.8 3.0 52 23 A 9 THR HA A 9 THR H 1.0 1.8 3.0 53 24 A 65 ARG H A 65 ARG HD2 1.0 1.8 6.0 54 24 A 65 ARG H A 63 ARG HD2 1.0 1.8 6.0 55 24 A 65 ARG H A 65 ARG HD3 1.0 1.8 6.0 56 24 A 65 ARG H A 63 ARG HD3 1.0 1.8 6.0 57 25 A 121 HIS H A 121 HIS HA 1.0 1.8 6.0 58 25 A 120 HIS HA A 121 HIS H 1.0 1.8 6.0 59 26 A 24 LYS HGy A 24 LYS HD2 1.0 1.8 4.0 60 26 A 24 LYS HGy A 24 LYS HD3 1.0 1.8 4.0 61 26 A 24 LYS HGy A 24 LYS HBx 1.0 1.8 4.0 62 27 A 106 TYR HEx A 111 ILE HG1x 1.0 1.8 3.5 63 27 A 106 TYR HEx A 76 LYS HDy 1.0 1.8 3.5 64 27 A 111 ILE HG1x A 106 TYR HEy 1.0 1.8 3.5 65 27 A 106 TYR HEy A 76 LYS HDy 1.0 1.8 3.5 66 28 A 64 ARG H A 64 ARG HBy 1.0 1.8 3.5 67 28 A 63 ARG HBy A 64 ARG H 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 10 GLY C A 11 ASN N A 11 ASN CA A 11 ASN C 1.0 -120.0 -60.0 PHI 2 2 A 11 ASN N A 11 ASN CA A 11 ASN C A 12 ALA N 1.0 -38.0 22.0 PSI 3 3 A 11 ASN C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -193.5 -66.5 PHI 4 4 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 VAL N 1.0 129.5 189.5 PSI 5 5 A 12 ALA C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -165.4 -105.4 PHI 6 6 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 VAL N 1.0 133.1 193.1 PSI 7 7 A 13 VAL C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -151.5 -91.5 PHI 8 8 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 VAL N 1.0 95.8 155.8 PSI 9 9 A 14 VAL C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -146.0 -86.0 PHI 10 10 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 PHE N 1.0 107.7 167.7 PSI 11 11 A 15 VAL C A 16 PHE N A 16 PHE CA A 16 PHE C 1.0 -157.0 -97.0 PHI 12 12 A 16 PHE N A 16 PHE CA A 16 PHE C A 17 GLY N 1.0 123.4 183.4 PSI 13 13 A 22 ILE C A 23 THR N A 23 THR CA A 23 THR C 1.0 -84.0 -24.0 PHI 14 14 A 23 THR N A 23 THR CA A 23 THR C A 24 LYS N 1.0 -78.0 -18.0 PSI 15 15 A 23 THR C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -89.0 -29.0 PHI 16 16 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 GLN N 1.0 -73.0 -13.0 PSI 17 17 A 24 LYS C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -93.0 -33.0 PHI 18 18 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 ILE N 1.0 -74.0 -14.0 PSI 19 19 A 25 GLN C A 26 ILE N A 26 ILE CA A 26 ILE C 1.0 -97.0 -37.0 PHI 20 20 A 26 ILE N A 26 ILE CA A 26 ILE C A 27 LEU N 1.0 -70.7 -10.7 PSI 21 21 A 26 ILE C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -90.7 -30.7 PHI 22 22 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 ALA N 1.0 -72.7 -12.7 PSI 23 23 A 27 LEU C A 28 ALA N A 28 ALA CA A 28 ALA C 1.0 -92.4 -32.4 PHI 24 24 A 28 ALA N A 28 ALA CA A 28 ALA C A 29 TYR N 1.0 -72.1 -12.1 PSI 25 25 A 28 ALA C A 29 TYR N A 29 TYR CA A 29 TYR C 1.0 -94.0 -34.0 PHI 26 26 A 29 TYR N A 29 TYR CA A 29 TYR C A 30 PHE N 1.0 -76.0 -16.0 PSI 27 27 A 29 TYR C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -93.0 -33.0 PHI 28 28 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 ALA N 1.0 -70.0 -10.0 PSI 29 29 A 30 PHE C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -93.0 -33.0 PHI 30 30 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 GLN N 1.0 -65.0 -5.0 PSI 31 31 A 67 SER C A 68 ARG N A 68 ARG CA A 68 ARG C 1.0 -143.0 -83.0 PHI 32 32 A 68 ARG N A 68 ARG CA A 68 ARG C A 69 GLU N 1.0 96.0 156.0 PSI 33 33 A 68 ARG C A 69 GLU N A 69 GLU CA A 69 GLU C 1.0 -135.6 -75.6 PHI 34 34 A 69 GLU N A 69 GLU CA A 69 GLU C A 70 HIS N 1.0 104.6 164.6 PSI 35 35 A 69 GLU C A 70 HIS N A 70 HIS CA A 70 HIS C 1.0 -167.0 -107.0 PHI 36 36 A 70 HIS N A 70 HIS CA A 70 HIS C A 71 GLY N 1.0 122.0 182.0 PSI 37 37 A 73 THR C A 74 TRP N A 74 TRP CA A 74 TRP C 1.0 -146.4 -86.4 PHI 38 38 A 74 TRP N A 74 TRP CA A 74 TRP C A 75 THR N 1.0 126.9 186.9 PSI 39 39 A 74 TRP C A 75 THR N A 75 THR CA A 75 THR C 1.0 -142.0 -82.0 PHI 40 40 A 75 THR N A 75 THR CA A 75 THR C A 76 LYS N 1.0 86.2 146.2 PSI 41 41 A 75 THR C A 76 LYS N A 76 LYS CA A 76 LYS C 1.0 -141.0 -81.0 PHI 42 42 A 76 LYS N A 76 LYS CA A 76 LYS C A 77 LEU N 1.0 104.3 164.3 PSI 43 43 A 76 LYS C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -153.6 -93.6 PHI 44 44 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 THR N 1.0 96.3 156.3 PSI 45 45 A 77 LEU C A 78 THR N A 78 THR CA A 78 THR C 1.0 -109.8 -49.8 PHI 46 46 A 78 THR N A 78 THR CA A 78 THR C A 79 TYR N 1.0 97.8 157.8 PSI 47 47 A 78 THR C A 79 TYR N A 79 TYR CA A 79 TYR C 1.0 -114.0 -54.0 PHI 48 48 A 79 TYR N A 79 TYR CA A 79 TYR C A 80 ALA N 1.0 -49.4 10.6 PSI 49 49 A 81 ASN C A 82 HIS N A 82 HIS CA A 82 HIS C 1.0 -93.5 -33.5 PHI 50 50 A 82 HIS N A 82 HIS CA A 82 HIS C A 83 SER N 1.0 -66.3 -6.3 PSI 51 51 A 82 HIS C A 83 SER N A 83 SER CA A 83 SER C 1.0 -93.0 -33.0 PHI 52 52 A 83 SER N A 83 SER CA A 83 SER C A 84 SER N 1.0 -71.2 -11.2 PSI 53 53 A 83 SER C A 84 SER N A 84 SER CA A 84 SER C 1.0 -92.9 -32.9 PHI 54 54 A 84 SER N A 84 SER CA A 84 SER C A 85 TYR N 1.0 -71.7 -11.7 PSI 55 55 A 84 SER C A 85 TYR N A 85 TYR CA A 85 TYR C 1.0 -92.7 -32.7 PHI 56 56 A 85 TYR N A 85 TYR CA A 85 TYR C A 86 LEU N 1.0 -74.5 -14.5 PSI 57 57 A 85 TYR C A 86 LEU N A 86 LEU CA A 86 LEU C 1.0 -88.8 -28.8 PHI 58 58 A 86 LEU N A 86 LEU CA A 86 LEU C A 87 ARG N 1.0 -72.9 -12.9 PSI 59 59 A 86 LEU C A 87 ARG N A 87 ARG CA A 87 ARG C 1.0 -94.8 -34.8 PHI 60 60 A 87 ARG N A 87 ARG CA A 87 ARG C A 88 ALA N 1.0 -70.2 -10.2 PSI 61 61 A 87 ARG C A 88 ALA N A 88 ALA CA A 88 ALA C 1.0 -92.9 -32.9 PHI 62 62 A 88 ALA N A 88 ALA CA A 88 ALA C A 89 LEU N 1.0 -74.3 -14.3 PSI 63 63 A 88 ALA C A 89 LEU N A 89 LEU CA A 89 LEU C 1.0 -89.0 -29.0 PHI 64 64 A 89 LEU N A 89 LEU CA A 89 LEU C A 90 ARG N 1.0 -68.8 -8.8 PSI 65 65 A 94 THR C A 95 ILE N A 95 ILE CA A 95 ILE C 1.0 -131.0 -71.0 PHI 66 66 A 95 ILE N A 95 ILE CA A 95 ILE C A 96 TYR N 1.0 98.0 158.0 PSI 67 67 A 95 ILE C A 96 TYR N A 96 TYR CA A 96 TYR C 1.0 -151.2 -91.2 PHI 68 68 A 96 TYR N A 96 TYR CA A 96 TYR C A 97 CYS N 1.0 90.8 150.8 PSI 69 69 A 98 GLY C A 99 ALA N A 99 ALA CA A 99 ALA C 1.0 -145.0 -85.0 PHI 70 70 A 99 ALA N A 99 ALA CA A 99 ALA C A 100 ALA N 1.0 109.0 169.0 PSI 71 71 A 99 ALA C A 100 ALA N A 100 ALA CA A 100 ALA C 1.0 -123.0 -63.0 PHI 72 72 A 100 ALA N A 100 ALA CA A 100 ALA C A 101 ILE N 1.0 98.0 158.0 PSI 73 73 A 100 ALA C A 101 ILE N A 101 ILE CA A 101 ILE C 1.0 -145.0 -85.0 PHI 74 74 A 101 ILE N A 101 ILE CA A 101 ILE C A 102 GLY N 1.0 104.0 164.0 PSI 75 75 A 101 ILE C A 102 GLY N A 102 GLY CA A 102 GLY C 1.0 -160.0 -100.0 PHI 76 76 A 102 GLY N A 102 GLY CA A 102 GLY C A 103 CYS N 1.0 100.0 160.0 PSI 77 77 A 102 GLY C A 103 CYS N A 103 CYS CA A 103 CYS C 1.0 -161.0 -41.0 PHI 78 78 A 103 CYS N A 103 CYS CA A 103 CYS C A 104 VAL N 1.0 101.0 161.0 PSI 79 79 A 107 LYS C A 108 HIS N A 108 HIS CA A 108 HIS C 1.0 -86.0 -26.0 PHI 80 80 A 108 HIS N A 108 HIS CA A 108 HIS C A 109 GLU N 1.0 -69.0 -9.0 PSI 81 81 A 108 HIS C A 109 GLU N A 109 GLU CA A 109 GLU C 1.0 -89.9 -29.9 PHI 82 82 A 109 GLU N A 109 GLU CA A 109 GLU C A 110 LEU N 1.0 -69.3 -9.3 PSI 83 83 A 109 GLU C A 110 LEU N A 110 LEU CA A 110 LEU C 1.0 -96.3 -36.3 PHI 84 84 A 110 LEU N A 110 LEU CA A 110 LEU C A 111 ILE N 1.0 -67.5 -7.5 PSI 85 85 A 110 LEU C A 111 ILE N A 111 ILE CA A 111 ILE C 1.0 -94.3 -34.3 PHI 86 86 A 111 ILE N A 111 ILE CA A 111 ILE C A 112 SER N 1.0 -63.1 -3.1 PSI 87 87 A 111 ILE C A 112 SER N A 112 SER CA A 112 SER C 1.0 -93.3 -33.3 PHI 88 88 A 112 SER N A 112 SER CA A 112 SER C A 113 GLU N 1.0 -71.0 -11.0 PSI 89 89 A 112 SER C A 113 GLU N A 113 GLU CA A 113 GLU C 1.0 -95.5 -35.5 PHI 90 90 A 113 GLU N A 113 GLU CA A 113 GLU C A 114 LEU N 1.0 -71.8 -11.8 PSI 91 91 A 113 GLU C A 114 LEU N A 114 LEU CA A 114 LEU C 1.0 -92.7 -32.7 PHI 92 92 A 114 LEU N A 114 LEU CA A 114 LEU C A 115 SER N 1.0 -62.6 -2.6 PSI 93 93 A 114 LEU C A 115 SER N A 115 SER CA A 115 SER C 1.0 -97.3 -37.3 PHI 94 94 A 115 SER N A 115 SER CA A 115 SER C A 116 ARG N 1.0 -59.4 0.6 PSI 95 95 A 115 SER C A 116 ARG N A 116 ARG CA A 116 ARG C 1.0 -112.0 -52.0 PHI 96 96 A 116 ARG N A 116 ARG CA A 116 ARG C A 117 GLU N 1.0 -53.0 7.0 PSI 97 97 A 16 PHE CA A 16 PHE CB A 16 PHE CG A 16 PHE CD1 1.0 80.0 100.0 CHI2 98 98 A 30 PHE CA A 30 PHE CB A 30 PHE CG A 30 PHE CD1 1.0 80.0 100.0 CHI2 99 99 A 33 PHE CA A 33 PHE CB A 33 PHE CG A 33 PHE CD1 1.0 80.0 100.0 CHI2 100 100 A 56 PHE CA A 56 PHE CB A 56 PHE CG A 56 PHE CD1 1.0 80.0 100.0 CHI2 101 101 A 57 PHE CA A 57 PHE CB A 57 PHE CG A 57 PHE CD1 1.0 80.0 100.0 CHI2 102 102 A 18 TYR CA A 18 TYR CB A 18 TYR CG A 18 TYR CD1 1.0 80.0 100.0 CHI2 103 103 A 29 TYR CA A 29 TYR CB A 29 TYR CG A 29 TYR CD1 1.0 80.0 100.0 CHI2 104 104 A 55 TYR CA A 55 TYR CB A 55 TYR CG A 55 TYR CD1 1.0 80.0 100.0 CHI2 105 105 A 79 TYR CA A 79 TYR CB A 79 TYR CG A 79 TYR CD1 1.0 80.0 100.0 CHI2 106 106 A 85 TYR CA A 85 TYR CB A 85 TYR CG A 85 TYR CD1 1.0 80.0 100.0 CHI2 107 107 A 96 TYR CA A 96 TYR CB A 96 TYR CG A 96 TYR CD1 1.0 80.0 100.0 CHI2 108 108 A 106 TYR CA A 106 TYR CB A 106 TYR CG A 106 TYR CD1 1.0 80.0 100.0 CHI2 stop_ save_