data_nef_c34144_5o2v save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5O2V stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLU middle . . 3 A 3 ASP middle . . 4 A 4 GLU middle . . 5 A 5 MET middle . . 6 A 6 PRO middle . false 7 A 7 LYS middle . . 8 A 8 THR middle . . 9 A 9 LEU middle . . 10 A 10 TYR middle . . 11 A 11 VAL middle . . 12 A 12 GLY middle . false 13 A 13 ASN middle . . 14 A 14 LEU middle . . 15 A 15 SER middle . . 16 A 16 ARG middle . . 17 A 17 ASP middle . . 18 A 18 VAL middle . . 19 A 19 THR middle . . 20 A 20 GLU middle . . 21 A 21 ALA middle . . 22 A 22 LEU middle . . 23 A 23 ILE middle . . 24 A 24 LEU middle . . 25 A 25 GLN middle . . 26 A 26 LEU middle . . 27 A 27 PHE middle . . 28 A 28 SER middle . . 29 A 29 GLN middle . . 30 A 30 ILE middle . . 31 A 31 GLY middle . false 32 A 32 PRO middle . false 33 A 33 CYS middle . . 34 A 34 LYS middle . . 35 A 35 ASN middle . . 36 A 36 CYS middle . . 37 A 37 LYS middle . . 38 A 38 MET middle . . 39 A 39 ILE middle . . 40 A 40 MET middle . . 41 A 41 ASP middle . . 42 A 42 THR middle . . 43 A 43 ALA middle . . 44 A 44 GLY middle . false 45 A 45 ASN middle . . 46 A 46 ASP middle . . 47 A 47 PRO middle . false 48 A 48 TYR middle . . 49 A 49 CYS middle . . 50 A 50 PHE middle . . 51 A 51 VAL middle . . 52 A 52 GLU middle . . 53 A 53 PHE middle . . 54 A 54 HIS middle . . 55 A 55 GLU middle . . 56 A 56 HIS middle . . 57 A 57 ARG middle . . 58 A 58 HIS middle . . 59 A 59 ALA middle . . 60 A 60 ALA middle . . 61 A 61 ALA middle . . 62 A 62 ALA middle . . 63 A 63 LEU middle . . 64 A 64 ALA middle . . 65 A 65 ALA middle . . 66 A 66 MET middle . . 67 A 67 ASN middle . . 68 A 68 GLY middle . false 69 A 69 ARG middle . . 70 A 70 LYS middle . . 71 A 71 ILE middle . . 72 A 72 MET middle . . 73 A 73 GLY middle . false 74 A 74 LYS middle . . 75 A 75 GLU middle . . 76 A 76 VAL middle . . 77 A 77 LYS middle . . 78 A 78 VAL middle . . 79 A 79 ASN middle . . 80 A 80 TRP middle . . 81 A 81 ALA middle . . 82 A 82 THR middle . . 83 A 83 THR middle . . 84 A 84 PRO middle . false 85 A 85 SER middle . . 86 A 86 SER middle . . 87 A 87 GLN middle . . 88 A 88 LYS middle . . 89 A 89 LYS middle . . 90 A 90 ASP middle . . 91 A 91 THR middle . . 92 A 92 SER end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 1 MET HA H 1 4.335 0.000 A 1 MET HBy H 1 2.021 0.002 A 1 MET HBx H 1 2.020 0.000 A 1 MET C C 13 177.099 0.000 A 1 MET CA C 13 56.268 0.012 A 1 MET CB C 13 32.451 0.001 A 1 MET N N 15 119.199 0.159 A 2 GLU H H 1 8.444 0.015 A 2 GLU HA H 1 4.139 0.000 A 2 GLU HBx H 1 1.976 0.033 A 2 GLU HBy H 1 1.983 0.000 A 2 GLU HGx H 1 2.223 0.001 A 2 GLU HGy H 1 2.291 0.000 A 2 GLU C C 13 177.025 0.000 A 2 GLU CA C 13 57.593 0.118 A 2 GLU CB C 13 29.899 0.049 A 2 GLU CG C 13 36.479 0.007 A 2 GLU N N 15 120.778 0.048 A 3 ASP H H 1 8.167 0.003 A 3 ASP HA H 1 4.473 0.002 A 3 ASP HBx H 1 2.628 0.000 A 3 ASP HBy H 1 2.628 0.000 A 3 ASP C C 13 176.434 0.000 A 3 ASP CA C 13 55.048 0.129 A 3 ASP CB C 13 41.096 0.013 A 3 ASP CG C 13 176.368 0.000 A 3 ASP N N 15 120.138 0.025 A 4 GLU H H 1 8.042 0.002 A 4 GLU HA H 1 4.161 0.003 A 4 GLU HBy H 1 2.021 0.003 A 4 GLU HBx H 1 1.837 0.005 A 4 GLU HGx H 1 2.156 0.004 A 4 GLU HGy H 1 2.156 0.004 A 4 GLU CA C 13 56.136 0.036 A 4 GLU CB C 13 30.209 0.088 A 4 GLU CG C 13 36.284 0.043 A 4 GLU N N 15 119.462 0.003 A 5 MET H H 1 7.940 0.007 A 5 MET HA H 1 4.263 0.000 A 5 MET HBx H 1 1.737 0.000 A 5 MET HBy H 1 1.737 0.000 A 5 MET HGy H 1 2.423 0.000 A 5 MET HGx H 1 2.268 0.000 A 5 MET CA C 13 53.719 0.029 A 5 MET CB C 13 31.346 0.004 A 5 MET CG C 13 32.474 0.008 A 5 MET N N 15 120.762 0.008 A 6 PRO HA H 1 4.390 0.003 A 6 PRO HBy H 1 2.171 0.000 A 6 PRO HBx H 1 1.779 0.000 A 6 PRO HDy H 1 3.423 0.000 A 6 PRO HDx H 1 3.005 0.002 A 6 PRO HGy H 1 1.395 0.000 A 6 PRO HGx H 1 0.983 0.000 A 6 PRO C C 13 177.884 0.000 A 6 PRO CA C 13 63.890 0.002 A 6 PRO CB C 13 32.590 0.000 A 6 PRO CD C 13 50.417 0.032 A 6 PRO CG C 13 27.079 0.003 A 7 LYS H H 1 8.863 0.005 A 7 LYS HA H 1 4.808 0.000 A 7 LYS HBx H 1 2.509 0.000 A 7 LYS HBy H 1 2.509 0.000 A 7 LYS HDx H 1 1.666 0.000 A 7 LYS HDy H 1 1.666 0.000 A 7 LYS HEx H 1 3.154 0.000 A 7 LYS HEy H 1 3.154 0.000 A 7 LYS HGx H 1 1.201 0.000 A 7 LYS HGy H 1 1.201 0.000 A 7 LYS C C 13 174.799 0.000 A 7 LYS CA C 13 56.773 0.246 A 7 LYS CB C 13 34.900 0.018 A 7 LYS CD C 13 29.644 0.000 A 7 LYS CE C 13 42.553 0.000 A 7 LYS CG C 13 24.980 0.000 A 7 LYS N N 15 118.504 0.086 A 8 THR H H 1 8.055 0.019 A 8 THR HA H 1 5.608 0.005 A 8 THR HB H 1 4.142 0.000 A 8 THR HG2% H 1 1.175 0.000 A 8 THR C C 13 173.883 0.000 A 8 THR CA C 13 61.818 0.041 A 8 THR CB C 13 69.526 0.076 A 8 THR CG2 C 13 21.717 0.000 A 8 THR N N 15 115.490 0.212 A 9 LEU H H 1 9.549 0.004 A 9 LEU HA H 1 5.067 0.001 A 9 LEU HBy H 1 1.579 0.004 A 9 LEU HBx H 1 1.301 0.003 A 9 LEU HDx% H 1 0.070 0.000 A 9 LEU HDy% H 1 0.067 0.000 A 9 LEU HG H 1 0.851 0.000 A 9 LEU C C 13 175.836 0.000 A 9 LEU CA C 13 53.123 0.012 A 9 LEU CB C 13 44.205 0.029 A 9 LEU CDy C 13 23.120 0.000 A 9 LEU CDx C 13 23.119 0.000 A 9 LEU CG C 13 26.569 0.000 A 9 LEU N N 15 126.300 0.060 A 10 TYR H H 1 9.269 0.009 A 10 TYR HA H 1 4.864 0.002 A 10 TYR HBy H 1 2.887 0.000 A 10 TYR HBx H 1 2.753 0.000 A 10 TYR HDx H 1 6.783 0.000 A 10 TYR HDy H 1 6.783 0.000 A 10 TYR HEx H 1 6.153 0.000 A 10 TYR HEy H 1 6.153 0.000 A 10 TYR CA C 13 57.152 0.046 A 10 TYR CB C 13 40.455 0.018 A 10 TYR CDx C 13 130.576 0.000 A 10 TYR CDy C 13 130.576 0.000 A 10 TYR CEx C 13 115.096 0.000 A 10 TYR CEy C 13 115.096 0.000 A 10 TYR N N 15 123.954 0.079 A 11 VAL H H 1 8.479 0.009 A 11 VAL HA H 1 4.551 0.001 A 11 VAL HB H 1 1.965 0.000 A 11 VAL HGx% H 1 0.754 0.001 A 11 VAL HGy% H 1 0.518 0.001 A 11 VAL C C 13 174.126 0.000 A 11 VAL CA C 13 60.843 0.004 A 11 VAL CB C 13 32.510 0.011 A 11 VAL CGy C 13 21.289 0.030 A 11 VAL CGx C 13 21.250 0.022 A 11 VAL N N 15 127.988 0.070 A 12 GLY H H 1 9.192 0.002 A 12 GLY HAy H 1 4.639 0.000 A 12 GLY HAx H 1 3.626 0.001 A 12 GLY C C 13 173.684 0.000 A 12 GLY CA C 13 43.266 0.007 A 12 GLY N N 15 112.642 0.067 A 13 ASN H H 1 9.187 0.002 A 13 ASN HA H 1 4.292 0.007 A 13 ASN HBy H 1 3.716 0.000 A 13 ASN HBx H 1 2.515 0.000 A 13 ASN C C 13 173.992 0.000 A 13 ASN CA C 13 54.094 0.005 A 13 ASN CB C 13 38.620 0.030 A 13 ASN N N 15 116.787 0.028 A 14 LEU H H 1 7.073 0.000 A 14 LEU HA H 1 4.219 0.001 A 14 LEU HBy H 1 1.502 0.010 A 14 LEU HBx H 1 1.172 0.002 A 14 LEU HDx% H 1 0.663 0.000 A 14 LEU HDy% H 1 0.663 0.000 A 14 LEU HG H 1 0.555 0.003 A 14 LEU C C 13 178.025 0.000 A 14 LEU CA C 13 53.730 0.022 A 14 LEU CB C 13 42.836 0.038 A 14 LEU CDx C 13 23.375 0.000 A 14 LEU CDy C 13 23.375 0.000 A 14 LEU CG C 13 26.562 0.043 A 14 LEU N N 15 113.129 0.022 A 15 SER H H 1 8.352 0.001 A 15 SER HA H 1 4.369 0.001 A 15 SER HBy H 1 4.053 0.000 A 15 SER HBx H 1 3.702 0.000 A 15 SER C C 13 175.744 0.000 A 15 SER CA C 13 57.378 0.044 A 15 SER CB C 13 63.929 0.046 A 15 SER N N 15 115.085 0.017 A 16 ARG H H 1 8.723 0.000 A 16 ARG HA H 1 4.009 0.007 A 16 ARG HBy H 1 1.897 0.000 A 16 ARG HBx H 1 1.812 0.008 A 16 ARG HDx H 1 3.212 0.000 A 16 ARG HDy H 1 3.212 0.000 A 16 ARG HGx H 1 1.904 0.000 A 16 ARG HGy H 1 1.904 0.000 A 16 ARG C C 13 175.972 0.000 A 16 ARG CA C 13 58.473 0.042 A 16 ARG CB C 13 29.699 0.035 A 16 ARG CD C 13 43.331 0.019 A 16 ARG CG C 13 27.849 0.011 A 16 ARG N N 15 123.567 0.007 A 17 ASP H H 1 8.092 0.001 A 17 ASP HA H 1 4.585 0.000 A 17 ASP HBy H 1 2.743 0.007 A 17 ASP HBx H 1 2.451 0.002 A 17 ASP C C 13 176.091 0.000 A 17 ASP CA C 13 54.432 0.023 A 17 ASP CB C 13 41.461 0.027 A 17 ASP N N 15 115.928 0.011 A 18 VAL H H 1 7.382 0.014 A 18 VAL HA H 1 3.739 0.000 A 18 VAL HB H 1 2.089 0.000 A 18 VAL HGx% H 1 1.012 0.000 A 18 VAL HGy% H 1 0.920 0.000 A 18 VAL C C 13 174.021 0.000 A 18 VAL CA C 13 63.900 0.001 A 18 VAL CB C 13 31.846 0.017 A 18 VAL CGx C 13 22.959 0.000 A 18 VAL CGy C 13 22.959 0.000 A 18 VAL N N 15 119.989 0.081 A 19 THR H H 1 6.563 0.003 A 19 THR HA H 1 4.614 0.009 A 19 THR HB H 1 4.605 0.000 A 19 THR HG2% H 1 1.190 0.017 A 19 THR C C 13 174.679 0.000 A 19 THR CA C 13 58.821 0.025 A 19 THR CB C 13 72.192 0.003 A 19 THR CG2 C 13 21.699 0.038 A 19 THR N N 15 112.365 0.017 A 20 GLU H H 1 9.091 0.001 A 20 GLU HA H 1 3.719 0.000 A 20 GLU HBy H 1 2.025 0.000 A 20 GLU HBx H 1 1.955 0.000 A 20 GLU HGx H 1 2.193 0.000 A 20 GLU HGy H 1 2.193 0.000 A 20 GLU C C 13 177.671 0.000 A 20 GLU CA C 13 59.881 0.065 A 20 GLU CB C 13 30.290 0.001 A 20 GLU CG C 13 37.088 0.000 A 20 GLU N N 15 121.818 0.008 A 21 ALA H H 1 8.132 0.001 A 21 ALA HA H 1 4.013 0.001 A 21 ALA HB% H 1 1.357 0.003 A 21 ALA C C 13 180.393 0.000 A 21 ALA CA C 13 55.096 0.025 A 21 ALA CB C 13 18.326 0.042 A 21 ALA N N 15 118.415 0.023 A 22 LEU H H 1 7.662 0.000 A 22 LEU HA H 1 4.144 0.000 A 22 LEU HBy H 1 1.804 0.003 A 22 LEU HBx H 1 1.672 0.000 A 22 LEU HDx% H 1 0.974 0.000 A 22 LEU HDy% H 1 0.974 0.000 A 22 LEU HG H 1 1.581 0.000 A 22 LEU C C 13 178.752 0.000 A 22 LEU CA C 13 57.918 0.098 A 22 LEU CB C 13 42.142 0.047 A 22 LEU CDx C 13 26.187 0.000 A 22 LEU CDy C 13 26.187 0.000 A 22 LEU CG C 13 27.359 0.019 A 22 LEU N N 15 120.447 0.015 A 23 ILE H H 1 7.611 0.003 A 23 ILE HA H 1 3.732 0.000 A 23 ILE HB H 1 2.117 0.002 A 23 ILE HD1% H 1 0.616 0.001 A 23 ILE HG1y H 1 1.467 0.011 A 23 ILE HG1x H 1 1.279 0.006 A 23 ILE HG2% H 1 0.619 0.000 A 23 ILE C C 13 178.340 0.000 A 23 ILE CA C 13 62.316 0.000 A 23 ILE CB C 13 35.059 0.043 A 23 ILE CD1 C 13 9.293 0.008 A 23 ILE CG1 C 13 26.355 0.023 A 23 ILE CG2 C 13 18.500 0.000 A 23 ILE N N 15 118.562 0.074 A 24 LEU H H 1 8.556 0.001 A 24 LEU HA H 1 3.976 0.003 A 24 LEU HBx H 1 1.680 0.000 A 24 LEU HBy H 1 1.680 0.000 A 24 LEU HDx% H 1 0.781 0.000 A 24 LEU HDy% H 1 0.753 0.000 A 24 LEU HG H 1 1.532 0.000 A 24 LEU C C 13 180.155 0.000 A 24 LEU CA C 13 58.545 0.007 A 24 LEU CB C 13 41.653 0.018 A 24 LEU CDx C 13 24.250 0.000 A 24 LEU CDy C 13 24.250 0.000 A 24 LEU CG C 13 27.031 0.000 A 24 LEU N N 15 119.959 0.040 A 25 GLN H H 1 8.237 0.001 A 25 GLN HA H 1 3.923 0.001 A 25 GLN HBx H 1 2.250 0.004 A 25 GLN HBy H 1 2.250 0.004 A 25 GLN HGx H 1 2.459 0.003 A 25 GLN HGy H 1 2.459 0.003 A 25 GLN CA C 13 59.570 0.030 A 25 GLN CB C 13 28.476 0.023 A 25 GLN CG C 13 33.857 0.028 A 25 GLN N N 15 121.315 0.072 A 26 LEU H H 1 8.272 0.001 A 26 LEU HA H 1 4.093 0.000 A 26 LEU HBy H 1 1.903 0.002 A 26 LEU HBx H 1 1.316 0.001 A 26 LEU HDx% H 1 0.788 0.000 A 26 LEU HDy% H 1 0.785 0.000 A 26 LEU HG H 1 0.812 0.000 A 26 LEU C C 13 180.169 0.000 A 26 LEU CA C 13 57.686 0.000 A 26 LEU CB C 13 42.822 0.026 A 26 LEU CDx C 13 23.116 0.000 A 26 LEU CDy C 13 23.116 0.000 A 26 LEU CG C 13 25.960 0.000 A 26 LEU N N 15 118.180 0.000 A 27 PHE H H 1 9.070 0.001 A 27 PHE HA H 1 4.100 0.000 A 27 PHE HBy H 1 3.105 0.001 A 27 PHE HBx H 1 2.997 0.000 A 27 PHE HDx H 1 7.660 0.000 A 27 PHE HDy H 1 7.660 0.000 A 27 PHE HEx H 1 6.999 0.000 A 27 PHE HEy H 1 6.999 0.000 A 27 PHE C C 13 177.265 0.000 A 27 PHE CA C 13 62.792 0.036 A 27 PHE CB C 13 37.946 0.006 A 27 PHE CDx C 13 129.087 0.000 A 27 PHE CDy C 13 129.087 0.000 A 27 PHE CEx C 13 127.491 0.000 A 27 PHE CEy C 13 127.491 0.000 A 27 PHE N N 15 117.715 0.025 A 28 SER H H 1 8.370 0.001 A 28 SER HA H 1 5.130 0.000 A 28 SER HBy H 1 4.031 0.010 A 28 SER HBx H 1 3.946 0.006 A 28 SER C C 13 175.309 0.000 A 28 SER CA C 13 60.742 0.022 A 28 SER CB C 13 63.212 0.028 A 28 SER N N 15 114.752 0.000 A 29 GLN H H 1 7.152 0.001 A 29 GLN HA H 1 4.024 0.003 A 29 GLN HBx H 1 2.066 0.004 A 29 GLN HBy H 1 2.066 0.004 A 29 GLN HGx H 1 2.675 0.000 A 29 GLN HGy H 1 2.675 0.000 A 29 GLN C C 13 177.346 0.000 A 29 GLN CA C 13 57.700 0.005 A 29 GLN CB C 13 28.581 0.007 A 29 GLN CG C 13 34.183 0.000 A 29 GLN N N 15 118.301 0.009 A 30 ILE H H 1 7.610 0.001 A 30 ILE HA H 1 3.886 0.000 A 30 ILE HB H 1 2.215 0.000 A 30 ILE HD1% H 1 0.640 0.001 A 30 ILE HG1y H 1 1.364 0.000 A 30 ILE HG1x H 1 1.216 0.002 A 30 ILE HG2% H 1 0.828 0.000 A 30 ILE C C 13 176.112 0.000 A 30 ILE CA C 13 61.863 0.081 A 30 ILE CB C 13 37.062 0.006 A 30 ILE CD1 C 13 11.171 0.011 A 30 ILE CG1 C 13 28.250 0.027 A 30 ILE CG2 C 13 18.458 0.008 A 30 ILE N N 15 118.563 0.000 A 31 GLY H H 1 7.365 0.000 A 31 GLY HAy H 1 3.768 0.000 A 31 GLY HAx H 1 3.133 0.000 A 31 GLY CA C 13 44.695 0.007 A 31 GLY N N 15 105.528 0.000 A 32 PRO HA H 1 4.418 0.003 A 32 PRO HBy H 1 2.306 0.009 A 32 PRO HBx H 1 1.889 0.000 A 32 PRO HDy H 1 3.435 0.002 A 32 PRO HDx H 1 3.372 0.001 A 32 PRO HGx H 1 1.966 0.000 A 32 PRO HGy H 1 1.966 0.000 A 32 PRO C C 13 177.815 0.000 A 32 PRO CA C 13 63.971 0.012 A 32 PRO CB C 13 32.453 0.000 A 32 PRO CD C 13 49.414 0.065 A 32 PRO CG C 13 27.637 0.000 A 33 CYS H H 1 8.987 0.001 A 33 CYS HA H 1 4.355 0.008 A 33 CYS HBy H 1 2.379 0.001 A 33 CYS HBx H 1 2.024 0.000 A 33 CYS C C 13 173.649 0.000 A 33 CYS CA C 13 58.889 0.057 A 33 CYS CB C 13 29.325 0.035 A 33 CYS N N 15 123.116 0.026 A 34 LYS H H 1 8.951 0.001 A 34 LYS HA H 1 3.981 0.005 A 34 LYS HBy H 1 1.136 0.002 A 34 LYS HBx H 1 0.570 0.002 A 34 LYS HDx H 1 1.349 0.000 A 34 LYS HDy H 1 1.349 0.000 A 34 LYS HGx H 1 1.010 0.000 A 34 LYS HGy H 1 1.010 0.000 A 34 LYS C C 13 175.812 0.000 A 34 LYS CA C 13 57.613 0.019 A 34 LYS CB C 13 34.350 0.018 A 34 LYS CD C 13 29.510 0.000 A 34 LYS CE C 13 41.999 0.000 A 34 LYS CG C 13 24.453 0.000 A 34 LYS N N 15 124.830 0.015 A 35 ASN H H 1 7.575 0.002 A 35 ASN HA H 1 4.671 0.001 A 35 ASN HBx H 1 2.631 0.008 A 35 ASN HBy H 1 2.631 0.008 A 35 ASN C C 13 172.802 0.000 A 35 ASN CA C 13 53.112 0.011 A 35 ASN CB C 13 42.099 0.010 A 35 ASN N N 15 111.653 0.020 A 36 CYS H H 1 8.497 0.001 A 36 CYS HA H 1 5.047 0.000 A 36 CYS HBx H 1 2.574 0.003 A 36 CYS HBy H 1 2.574 0.003 A 36 CYS C C 13 174.736 0.000 A 36 CYS CA C 13 57.505 0.021 A 36 CYS CB C 13 28.861 0.024 A 36 CYS N N 15 120.663 0.016 A 37 LYS H H 1 8.595 0.003 A 37 LYS HA H 1 4.701 0.000 A 37 LYS HBy H 1 1.842 0.001 A 37 LYS HBx H 1 1.689 0.004 A 37 LYS HDx H 1 1.665 0.019 A 37 LYS HDy H 1 1.665 0.019 A 37 LYS HEx H 1 2.925 0.000 A 37 LYS HEy H 1 2.925 0.000 A 37 LYS HGx H 1 1.388 0.003 A 37 LYS HGy H 1 1.388 0.003 A 37 LYS C C 13 174.431 0.000 A 37 LYS CA C 13 54.592 0.003 A 37 LYS CB C 13 35.464 0.020 A 37 LYS CD C 13 29.237 0.097 A 37 LYS CE C 13 42.345 0.000 A 37 LYS CG C 13 24.768 0.035 A 37 LYS N N 15 127.468 0.013 A 38 MET H H 1 9.434 0.001 A 38 MET HA H 1 4.607 0.000 A 38 MET HBy H 1 2.001 0.000 A 38 MET HBx H 1 1.732 0.000 A 38 MET HGy H 1 2.589 0.000 A 38 MET HGx H 1 2.513 0.000 A 38 MET C C 13 175.065 0.000 A 38 MET CA C 13 54.647 0.000 A 38 MET CB C 13 33.438 0.050 A 38 MET CG C 13 32.244 0.002 A 38 MET N N 15 126.601 0.022 A 39 ILE H H 1 9.004 0.001 A 39 ILE HA H 1 4.006 0.001 A 39 ILE HB H 1 0.635 0.000 A 39 ILE HD1% H 1 0.689 0.002 A 39 ILE HG1y H 1 1.132 0.002 A 39 ILE HG1x H 1 1.039 0.000 A 39 ILE HG2% H 1 0.631 0.001 A 39 ILE C C 13 174.381 0.000 A 39 ILE CA C 13 60.121 0.015 A 39 ILE CB C 13 37.005 0.018 A 39 ILE CD1 C 13 12.084 0.033 A 39 ILE CG1 C 13 27.654 0.031 A 39 ILE CG2 C 13 18.258 0.016 A 39 ILE N N 15 129.715 0.009 A 40 MET H H 1 8.109 0.004 A 40 MET HA H 1 4.597 0.000 A 40 MET HBy H 1 2.009 0.000 A 40 MET HBx H 1 1.870 0.000 A 40 MET HGy H 1 2.589 0.000 A 40 MET HGx H 1 2.502 0.000 A 40 MET C C 13 175.967 0.000 A 40 MET CA C 13 54.348 0.058 A 40 MET CB C 13 33.436 0.010 A 40 MET CG C 13 32.189 0.000 A 40 MET N N 15 123.698 0.022 A 41 ASP H H 1 8.467 0.002 A 41 ASP HA H 1 4.739 0.002 A 41 ASP HBy H 1 2.820 0.000 A 41 ASP HBx H 1 2.752 0.000 A 41 ASP C C 13 177.007 0.000 A 41 ASP CA C 13 53.687 0.080 A 41 ASP CB C 13 41.696 0.002 A 41 ASP N N 15 122.969 0.020 A 42 THR H H 1 8.301 0.001 A 42 THR HA H 1 4.266 0.002 A 42 THR HB H 1 4.333 0.000 A 42 THR HG2% H 1 1.218 0.000 A 42 THR C C 13 175.038 0.000 A 42 THR CA C 13 62.790 0.035 A 42 THR CB C 13 69.154 0.008 A 42 THR CG2 C 13 21.725 0.000 A 42 THR N N 15 113.754 0.021 A 43 ALA H H 1 8.313 0.000 A 43 ALA HA H 1 4.325 0.012 A 43 ALA HB% H 1 1.402 0.000 A 43 ALA C C 13 177.977 0.000 A 43 ALA CA C 13 52.879 0.038 A 43 ALA CB C 13 18.889 0.010 A 43 ALA N N 15 124.798 0.004 A 44 GLY H H 1 8.138 0.002 A 44 GLY HAy H 1 4.059 0.001 A 44 GLY HAx H 1 3.802 0.001 A 44 GLY C C 13 174.437 0.000 A 44 GLY CA C 13 45.620 0.009 A 44 GLY N N 15 107.336 0.007 A 45 ASN H H 1 8.250 0.000 A 45 ASN HA H 1 4.803 0.002 A 45 ASN HBx H 1 2.847 0.004 A 45 ASN HBy H 1 2.847 0.004 A 45 ASN C C 13 174.745 0.000 A 45 ASN CA C 13 53.170 0.044 A 45 ASN CB C 13 39.798 0.036 A 45 ASN N N 15 118.482 0.008 A 46 ASP H H 1 8.663 0.001 A 46 ASP HA H 1 4.651 0.000 A 46 ASP HBx H 1 2.721 0.000 A 46 ASP HBy H 1 2.721 0.000 A 46 ASP CA C 13 53.986 0.009 A 46 ASP CB C 13 40.599 0.000 A 46 ASP N N 15 121.023 0.000 A 47 PRO HA H 1 4.742 0.002 A 47 PRO HBy H 1 2.297 0.000 A 47 PRO HBx H 1 1.776 0.000 A 47 PRO HDx H 1 3.752 0.000 A 47 PRO HDy H 1 3.752 0.000 A 47 PRO HGx H 1 1.820 0.000 A 47 PRO HGy H 1 1.820 0.000 A 47 PRO C C 13 174.506 0.000 A 47 PRO CA C 13 63.178 0.026 A 47 PRO CB C 13 33.036 0.000 A 47 PRO CD C 13 50.383 0.000 A 47 PRO CG C 13 27.604 0.000 A 48 TYR H H 1 7.947 0.001 A 48 TYR HA H 1 5.037 0.001 A 48 TYR HBy H 1 3.008 0.000 A 48 TYR HBx H 1 2.471 0.001 A 48 TYR HDx H 1 6.664 0.000 A 48 TYR HDy H 1 6.664 0.000 A 48 TYR HEx H 1 6.654 0.000 A 48 TYR HEy H 1 6.654 0.000 A 48 TYR C C 13 172.550 0.000 A 48 TYR CA C 13 55.614 0.106 A 48 TYR CB C 13 40.635 0.005 A 48 TYR CDx C 13 131.545 0.000 A 48 TYR CDy C 13 131.545 0.000 A 48 TYR CEx C 13 115.103 0.000 A 48 TYR CEy C 13 115.103 0.000 A 48 TYR N N 15 115.051 0.015 A 49 CYS H H 1 9.014 0.001 A 49 CYS HA H 1 5.332 0.002 A 49 CYS HBy H 1 2.588 0.005 A 49 CYS HBx H 1 2.513 0.012 A 49 CYS C C 13 172.304 0.000 A 49 CYS CA C 13 55.941 0.052 A 49 CYS CB C 13 32.368 0.031 A 49 CYS N N 15 115.037 0.026 A 50 PHE H H 1 8.500 0.001 A 50 PHE HA H 1 5.845 0.001 A 50 PHE HBy H 1 2.864 0.000 A 50 PHE HBx H 1 2.816 0.002 A 50 PHE HDx H 1 7.624 0.000 A 50 PHE HDy H 1 7.624 0.000 A 50 PHE HEx H 1 7.251 0.000 A 50 PHE HEy H 1 7.251 0.000 A 50 PHE C C 13 176.271 0.000 A 50 PHE CA C 13 55.908 0.087 A 50 PHE CB C 13 41.831 0.069 A 50 PHE CDx C 13 128.964 0.000 A 50 PHE CDy C 13 128.964 0.000 A 50 PHE CEx C 13 128.835 0.000 A 50 PHE CEy C 13 128.835 0.000 A 50 PHE N N 15 118.944 0.028 A 51 VAL H H 1 9.079 0.001 A 51 VAL HA H 1 4.372 0.009 A 51 VAL HB H 1 1.470 0.001 A 51 VAL HGx% H 1 0.290 0.002 A 51 VAL HGy% H 1 0.265 0.023 A 51 VAL C C 13 173.125 0.000 A 51 VAL CA C 13 61.308 0.032 A 51 VAL CB C 13 34.443 0.001 A 51 VAL CGx C 13 21.992 0.064 A 51 VAL CGy C 13 21.992 0.064 A 51 VAL N N 15 123.409 0.026 A 52 GLU H H 1 8.486 0.002 A 52 GLU HA H 1 5.124 0.003 A 52 GLU HBx H 1 1.811 0.000 A 52 GLU HBy H 1 1.811 0.000 A 52 GLU HGx H 1 2.015 0.000 A 52 GLU HGy H 1 2.015 0.000 A 52 GLU C C 13 176.157 0.000 A 52 GLU CA C 13 54.379 0.019 A 52 GLU CB C 13 32.457 0.000 A 52 GLU CG C 13 36.071 0.083 A 52 GLU N N 15 128.406 0.000 A 53 PHE H H 1 9.101 0.001 A 53 PHE HA H 1 4.649 0.003 A 53 PHE HBx H 1 3.009 0.000 A 53 PHE HBy H 1 3.009 0.000 A 53 PHE HDx H 1 7.328 0.000 A 53 PHE HDy H 1 7.328 0.000 A 53 PHE HEx H 1 7.150 0.000 A 53 PHE HEy H 1 7.150 0.000 A 53 PHE C C 13 175.380 0.000 A 53 PHE CA C 13 58.778 0.013 A 53 PHE CB C 13 41.203 0.003 A 53 PHE CDx C 13 129.224 0.000 A 53 PHE CDy C 13 129.224 0.000 A 53 PHE CEx C 13 128.671 0.000 A 53 PHE CEy C 13 128.671 0.000 A 53 PHE N N 15 126.518 0.022 A 54 HIS H H 1 8.143 0.001 A 54 HIS HA H 1 4.379 0.002 A 54 HIS HBy H 1 3.390 0.010 A 54 HIS HBx H 1 3.300 0.001 A 54 HIS HD2 H 1 6.675 0.000 A 54 HIS HE1 H 1 7.947 0.000 A 54 HIS CA C 13 60.290 0.026 A 54 HIS CB C 13 31.179 0.072 A 54 HIS CD2 C 13 116.040 0.000 A 54 HIS CE1 C 13 135.802 0.000 A 54 HIS N N 15 117.424 0.009 A 55 GLU H H 1 8.895 0.003 A 55 GLU HA H 1 4.928 0.002 A 55 GLU HBy H 1 2.104 0.000 A 55 GLU HBx H 1 1.905 0.000 A 55 GLU HGx H 1 2.291 0.001 A 55 GLU HGy H 1 2.291 0.001 A 55 GLU C C 13 177.017 0.000 A 55 GLU CA C 13 54.724 0.033 A 55 GLU CB C 13 32.920 0.000 A 55 GLU CG C 13 36.288 0.007 A 55 GLU N N 15 114.979 0.026 A 56 HIS H H 1 9.766 0.006 A 56 HIS HA H 1 4.406 0.009 A 56 HIS HBy H 1 3.310 0.003 A 56 HIS HBx H 1 3.072 0.002 A 56 HIS HD2 H 1 7.220 0.000 A 56 HIS HE1 H 1 7.998 0.000 A 56 HIS CA C 13 60.214 0.028 A 56 HIS CB C 13 28.373 0.023 A 56 HIS CD2 C 13 122.088 0.000 A 56 HIS CE1 C 13 134.809 0.000 A 56 HIS N N 15 124.932 0.063 A 57 ARG H H 1 9.353 0.004 A 57 ARG HA H 1 3.917 0.005 A 57 ARG HBx H 1 1.768 0.000 A 57 ARG HBy H 1 1.768 0.000 A 57 ARG HDx H 1 3.050 0.002 A 57 ARG HDy H 1 3.050 0.002 A 57 ARG HGx H 1 1.276 0.000 A 57 ARG HGy H 1 1.276 0.000 A 57 ARG C C 13 178.611 0.000 A 57 ARG CA C 13 58.625 0.040 A 57 ARG CB C 13 28.470 0.002 A 57 ARG CD C 13 43.346 0.068 A 57 ARG CG C 13 26.546 0.000 A 57 ARG N N 15 115.699 0.030 A 58 HIS H H 1 6.630 0.019 A 58 HIS HA H 1 4.280 0.000 A 58 HIS HBy H 1 3.247 0.000 A 58 HIS HBx H 1 2.741 0.000 A 58 HIS HD2 H 1 7.004 0.000 A 58 HIS HE1 H 1 7.823 0.000 A 58 HIS CA C 13 58.147 0.097 A 58 HIS CB C 13 32.001 0.013 A 58 HIS CD2 C 13 113.622 0.000 A 58 HIS CE1 C 13 135.504 0.000 A 58 HIS N N 15 119.745 0.048 A 59 ALA H H 1 6.984 0.001 A 59 ALA HA H 1 2.925 0.002 A 59 ALA HB% H 1 1.479 0.000 A 59 ALA C C 13 178.174 0.000 A 59 ALA CA C 13 54.801 0.007 A 59 ALA CB C 13 18.360 0.015 A 59 ALA N N 15 122.638 0.014 A 60 ALA H H 1 8.340 0.003 A 60 ALA HA H 1 3.813 0.010 A 60 ALA HB% H 1 1.289 0.001 A 60 ALA C C 13 180.550 0.000 A 60 ALA CA C 13 54.803 0.039 A 60 ALA CB C 13 17.718 0.062 A 60 ALA N N 15 118.280 0.010 A 61 ALA H H 1 7.417 0.000 A 61 ALA HA H 1 4.103 0.003 A 61 ALA HB% H 1 1.424 0.000 A 61 ALA C C 13 180.511 0.000 A 61 ALA CA C 13 54.539 0.051 A 61 ALA CB C 13 17.976 0.014 A 61 ALA N N 15 120.950 0.013 A 62 ALA H H 1 8.374 0.001 A 62 ALA HA H 1 3.818 0.008 A 62 ALA HB% H 1 1.357 0.014 A 62 ALA CA C 13 55.093 0.022 A 62 ALA CB C 13 19.502 0.065 A 62 ALA N N 15 122.481 0.014 A 63 LEU H H 1 7.894 0.003 A 63 LEU HA H 1 3.580 0.000 A 63 LEU HBy H 1 1.512 0.006 A 63 LEU HBx H 1 1.054 0.002 A 63 LEU HDx% H 1 0.466 0.001 A 63 LEU HDy% H 1 0.189 0.000 A 63 LEU HG H 1 1.183 0.000 A 63 LEU CA C 13 59.224 0.025 A 63 LEU CB C 13 41.626 0.031 A 63 LEU CDx C 13 24.943 0.045 A 63 LEU CDy C 13 25.000 0.000 A 63 LEU CG C 13 27.340 0.000 A 63 LEU N N 15 121.180 0.000 A 64 ALA H H 1 6.952 0.001 A 64 ALA HA H 1 4.062 0.004 A 64 ALA HB% H 1 1.413 0.000 A 64 ALA C C 13 179.724 0.000 A 64 ALA CA C 13 54.165 0.078 A 64 ALA CB C 13 18.534 0.073 A 64 ALA N N 15 117.714 0.016 A 65 ALA H H 1 7.893 0.000 A 65 ALA HA H 1 4.212 0.008 A 65 ALA HB% H 1 1.315 0.006 A 65 ALA C C 13 179.662 0.000 A 65 ALA CA C 13 54.068 0.002 A 65 ALA CB C 13 19.938 0.063 A 65 ALA N N 15 117.264 0.014 A 66 MET H H 1 8.274 0.002 A 66 MET HA H 1 4.491 0.000 A 66 MET HBy H 1 1.925 0.000 A 66 MET HBx H 1 1.618 0.000 A 66 MET HGx H 1 2.505 0.000 A 66 MET HGy H 1 2.589 0.000 A 66 MET CA C 13 54.118 0.007 A 66 MET CB C 13 32.561 0.032 A 66 MET CG C 13 32.595 0.005 A 66 MET N N 15 111.672 0.014 A 67 ASN H H 1 7.258 0.001 A 67 ASN HA H 1 4.306 0.000 A 67 ASN HBy H 1 2.971 0.000 A 67 ASN HBx H 1 2.883 0.006 A 67 ASN C C 13 176.629 0.000 A 67 ASN CA C 13 56.334 0.010 A 67 ASN CB C 13 38.532 0.004 A 67 ASN N N 15 115.636 0.017 A 68 GLY H H 1 8.641 0.001 A 68 GLY HAy H 1 4.204 0.003 A 68 GLY HAx H 1 3.712 0.000 A 68 GLY C C 13 173.639 0.000 A 68 GLY CA C 13 45.845 0.012 A 68 GLY N N 15 116.467 0.011 A 69 ARG H H 1 7.787 0.000 A 69 ARG HA H 1 4.150 0.000 A 69 ARG HBx H 1 1.772 0.000 A 69 ARG HBy H 1 1.772 0.000 A 69 ARG HDx H 1 3.167 0.000 A 69 ARG HDy H 1 3.167 0.000 A 69 ARG HGy H 1 1.691 0.006 A 69 ARG HGx H 1 1.536 0.000 A 69 ARG C C 13 175.742 0.000 A 69 ARG CA C 13 56.047 0.024 A 69 ARG CB C 13 30.613 0.016 A 69 ARG CD C 13 43.146 0.000 A 69 ARG CG C 13 27.458 0.048 A 69 ARG N N 15 121.110 0.017 A 70 LYS H H 1 8.617 0.001 A 70 LYS HA H 1 4.361 0.000 A 70 LYS HBy H 1 1.697 0.000 A 70 LYS HBx H 1 1.472 0.004 A 70 LYS HDx H 1 1.561 0.001 A 70 LYS HDy H 1 1.561 0.001 A 70 LYS HEx H 1 2.963 0.000 A 70 LYS HGx H 1 1.061 0.000 A 70 LYS HGy H 1 1.061 0.000 A 70 LYS C C 13 176.354 0.000 A 70 LYS CA C 13 56.521 0.095 A 70 LYS CB C 13 32.907 0.012 A 70 LYS CD C 13 29.642 0.088 A 70 LYS CE C 13 42.116 0.000 A 70 LYS CG C 13 26.176 0.000 A 70 LYS N N 15 123.334 0.007 A 71 ILE H H 1 8.480 0.001 A 71 ILE HA H 1 4.130 0.002 A 71 ILE HB H 1 1.728 0.003 A 71 ILE HD1% H 1 0.708 0.000 A 71 ILE HG1y H 1 1.449 0.000 A 71 ILE HG1x H 1 0.901 0.000 A 71 ILE HG2% H 1 0.746 0.000 A 71 ILE C C 13 175.807 0.000 A 71 ILE CA C 13 61.153 0.047 A 71 ILE CB C 13 39.548 0.025 A 71 ILE CD1 C 13 13.277 0.016 A 71 ILE CG1 C 13 26.411 0.001 A 71 ILE CG2 C 13 17.465 0.007 A 71 ILE N N 15 125.970 0.042 A 72 MET H H 1 9.599 0.003 A 72 MET HA H 1 3.982 0.001 A 72 MET HBy H 1 2.282 0.015 A 72 MET HBx H 1 1.919 0.000 A 72 MET HGx H 1 2.390 0.001 A 72 MET HGy H 1 2.390 0.001 A 72 MET C C 13 176.365 0.000 A 72 MET CA C 13 56.303 0.056 A 72 MET CB C 13 29.676 0.013 A 72 MET CG C 13 33.242 0.070 A 72 MET N N 15 126.407 0.027 A 73 GLY H H 1 8.399 0.001 A 73 GLY HAy H 1 4.207 0.001 A 73 GLY HAx H 1 3.509 0.000 A 73 GLY C C 13 173.754 0.000 A 73 GLY CA C 13 45.606 0.018 A 73 GLY N N 15 101.918 0.019 A 74 LYS H H 1 7.448 0.001 A 74 LYS HA H 1 4.599 0.004 A 74 LYS HBy H 1 1.855 0.007 A 74 LYS HBx H 1 1.653 0.002 A 74 LYS HGx H 1 1.399 0.000 A 74 LYS HGy H 1 1.399 0.000 A 74 LYS C C 13 175.545 0.000 A 74 LYS CA C 13 55.502 0.034 A 74 LYS CB C 13 35.905 0.075 A 74 LYS CD C 13 29.263 0.000 A 74 LYS CE C 13 41.491 0.000 A 74 LYS CG C 13 25.019 0.001 A 74 LYS N N 15 120.651 0.020 A 75 GLU H H 1 9.000 0.001 A 75 GLU HA H 1 4.143 0.000 A 75 GLU HBy H 1 1.911 0.000 A 75 GLU HBx H 1 1.673 0.000 A 75 GLU HGx H 1 2.106 0.002 A 75 GLU HGy H 1 2.106 0.002 A 75 GLU C C 13 175.964 0.000 A 75 GLU CA C 13 56.679 0.013 A 75 GLU CB C 13 29.601 0.008 A 75 GLU CG C 13 36.733 0.034 A 75 GLU N N 15 126.243 0.019 A 76 VAL H H 1 8.512 0.001 A 76 VAL HA H 1 4.590 0.001 A 76 VAL HB H 1 2.229 0.000 A 76 VAL HGx% H 1 0.989 0.000 A 76 VAL HGy% H 1 1.049 0.001 A 76 VAL C C 13 175.316 0.000 A 76 VAL CA C 13 61.470 0.017 A 76 VAL CB C 13 33.042 0.026 A 76 VAL CGy C 13 23.218 0.000 A 76 VAL CGx C 13 20.213 0.052 A 76 VAL N N 15 123.519 0.019 A 77 LYS H H 1 7.885 0.001 A 77 LYS HA H 1 4.850 0.001 A 77 LYS HBy H 1 1.730 0.002 A 77 LYS HBx H 1 1.643 0.002 A 77 LYS HDx H 1 1.729 0.000 A 77 LYS HDy H 1 1.729 0.000 A 77 LYS HEy H 1 2.963 0.000 A 77 LYS HEx H 1 2.924 0.000 A 77 LYS HGx H 1 1.395 0.000 A 77 LYS HGy H 1 1.395 0.000 A 77 LYS C C 13 174.747 0.000 A 77 LYS CA C 13 54.428 0.011 A 77 LYS CB C 13 34.401 0.036 A 77 LYS CD C 13 29.346 0.000 A 77 LYS CE C 13 42.309 0.001 A 77 LYS CG C 13 24.842 0.000 A 77 LYS N N 15 124.330 0.019 A 78 VAL H H 1 8.615 0.001 A 78 VAL HA H 1 5.478 0.001 A 78 VAL HB H 1 1.782 0.000 A 78 VAL HGx% H 1 1.013 0.000 A 78 VAL HGy% H 1 1.033 0.000 A 78 VAL C C 13 174.045 0.000 A 78 VAL CA C 13 59.848 0.035 A 78 VAL CB C 13 34.360 0.001 A 78 VAL CGy C 13 24.342 0.000 A 78 VAL CGx C 13 22.878 0.000 A 78 VAL N N 15 124.535 0.027 A 79 ASN H H 1 8.958 0.001 A 79 ASN HA H 1 4.821 0.000 A 79 ASN HBx H 1 2.704 0.002 A 79 ASN HBy H 1 2.891 0.001 A 79 ASN C C 13 174.279 0.000 A 79 ASN CA C 13 51.663 0.011 A 79 ASN CB C 13 42.884 0.043 A 79 ASN N N 15 121.284 0.019 A 80 TRP H H 1 8.533 0.002 A 80 TRP HA H 1 4.802 0.001 A 80 TRP HBy H 1 3.480 0.001 A 80 TRP HBx H 1 3.038 0.001 A 80 TRP HD1 H 1 7.358 0.000 A 80 TRP HE1 H 1 10.162 0.000 A 80 TRP C C 13 177.304 0.000 A 80 TRP CA C 13 58.817 0.012 A 80 TRP CB C 13 30.185 0.013 A 80 TRP CD1 C 13 124.843 0.000 A 80 TRP N N 15 121.348 0.019 A 81 ALA H H 1 8.717 0.000 A 81 ALA HA H 1 4.587 0.001 A 81 ALA HB% H 1 1.426 0.003 A 81 ALA C C 13 177.268 0.000 A 81 ALA CA C 13 52.505 0.025 A 81 ALA CB C 13 19.981 0.022 A 81 ALA N N 15 125.215 0.026 A 82 THR H H 1 8.375 0.001 A 82 THR HA H 1 4.430 0.008 A 82 THR HB H 1 4.162 0.000 A 82 THR HG2% H 1 1.165 0.000 A 82 THR C C 13 174.362 0.000 A 82 THR CA C 13 61.375 0.020 A 82 THR CB C 13 69.980 0.002 A 82 THR CG2 C 13 21.713 0.000 A 82 THR N N 15 114.200 0.014 A 83 THR H H 1 8.307 0.001 A 83 THR HA H 1 4.547 0.000 A 83 THR HB H 1 4.326 0.000 A 83 THR HG2% H 1 1.176 0.000 A 83 THR CA C 13 59.852 0.005 A 83 THR CB C 13 69.833 0.000 A 83 THR CG2 C 13 21.290 0.000 A 83 THR N N 15 118.979 0.027 A 84 PRO HA H 1 4.368 0.001 A 84 PRO HBy H 1 2.230 0.000 A 84 PRO HBx H 1 1.873 0.001 A 84 PRO HDy H 1 3.787 0.000 A 84 PRO HDx H 1 3.652 0.000 A 84 PRO HGy H 1 1.977 0.000 A 84 PRO HGx H 1 1.877 0.000 A 84 PRO C C 13 177.178 0.000 A 84 PRO CA C 13 63.791 0.001 A 84 PRO CB C 13 32.150 0.077 A 84 PRO CD C 13 51.065 0.035 A 84 PRO CG C 13 27.559 0.003 A 85 SER H H 1 8.384 0.001 A 85 SER HA H 1 4.349 0.000 A 85 SER HBx H 1 3.827 0.000 A 85 SER HBy H 1 3.827 0.000 A 85 SER C C 13 174.878 0.000 A 85 SER CA C 13 58.716 0.011 A 85 SER CB C 13 63.742 0.021 A 85 SER N N 15 116.057 0.016 A 86 SER H H 1 8.278 0.006 A 86 SER HA H 1 4.387 0.003 A 86 SER HBx H 1 3.843 0.000 A 86 SER HBy H 1 3.843 0.000 A 86 SER C C 13 174.473 0.000 A 86 SER CA C 13 58.581 0.008 A 86 SER CB C 13 63.882 0.002 A 86 SER N N 15 117.533 0.083 A 87 GLN H H 1 8.244 0.002 A 87 GLN HA H 1 4.290 0.000 A 87 GLN HBy H 1 2.061 0.000 A 87 GLN HBx H 1 1.907 0.000 A 87 GLN HGx H 1 2.299 0.005 A 87 GLN HGy H 1 2.299 0.005 A 87 GLN C C 13 175.758 0.000 A 87 GLN CA C 13 55.797 0.000 A 87 GLN CB C 13 29.480 0.007 A 87 GLN CG C 13 33.859 0.057 A 87 GLN N N 15 121.948 0.019 A 88 LYS H H 1 8.261 0.002 A 88 LYS HA H 1 4.262 0.000 A 88 LYS HBy H 1 1.798 0.000 A 88 LYS HBx H 1 1.726 0.000 A 88 LYS HDx H 1 1.643 0.000 A 88 LYS HDy H 1 1.643 0.000 A 88 LYS HEx H 1 2.961 0.000 A 88 LYS HEy H 1 2.961 0.000 A 88 LYS HGx H 1 1.396 0.000 A 88 LYS HGy H 1 1.396 0.000 A 88 LYS C C 13 176.355 0.000 A 88 LYS CA C 13 56.213 0.007 A 88 LYS CB C 13 33.011 0.001 A 88 LYS CD C 13 29.284 0.000 A 88 LYS CE C 13 42.247 0.000 A 88 LYS CG C 13 24.734 0.000 A 88 LYS N N 15 123.190 0.001 A 89 LYS H H 1 8.418 0.017 A 89 LYS HA H 1 4.325 0.000 A 89 LYS HBy H 1 1.810 0.000 A 89 LYS HBx H 1 1.721 0.000 A 89 LYS HDx H 1 1.641 0.000 A 89 LYS HDy H 1 1.641 0.000 A 89 LYS HEx H 1 2.961 0.000 A 89 LYS HEy H 1 2.961 0.000 A 89 LYS HGx H 1 1.398 0.000 A 89 LYS HGy H 1 1.398 0.000 A 89 LYS C C 13 176.232 0.000 A 89 LYS CA C 13 56.140 0.002 A 89 LYS CB C 13 33.317 0.008 A 89 LYS CD C 13 29.212 0.006 A 89 LYS CE C 13 42.297 0.001 A 89 LYS CG C 13 24.699 0.000 A 89 LYS N N 15 123.472 0.021 A 90 ASP H H 1 8.432 0.001 A 90 ASP HA H 1 4.645 0.000 A 90 ASP HBy H 1 2.708 0.000 A 90 ASP HBx H 1 2.640 0.000 A 90 ASP C C 13 176.348 0.000 A 90 ASP CA C 13 54.497 0.004 A 90 ASP CB C 13 41.199 0.000 A 90 ASP N N 15 121.907 0.020 A 91 THR H H 1 8.071 0.002 A 91 THR HA H 1 4.384 0.000 A 91 THR HB H 1 4.330 0.000 A 91 THR HG2% H 1 1.170 0.000 A 91 THR C C 13 173.934 0.000 A 91 THR CA C 13 61.431 0.027 A 91 THR CB C 13 69.877 0.126 A 91 THR CG2 C 13 21.574 0.000 A 91 THR N N 15 113.556 0.014 A 92 SER H H 1 8.018 0.002 A 92 SER HA H 1 4.225 0.000 A 92 SER HBx H 1 3.839 0.000 A 92 SER HBy H 1 3.839 0.000 A 92 SER CA C 13 60.300 0.009 A 92 SER CB C 13 64.766 0.004 A 92 SER N N 15 123.566 0.003 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 3 ASP H A 2 GLU HBx 1.0 . 4.69 2 2 A 3 ASP H A 2 GLU HBy 1.0 . 4.69 3 3 A 3 ASP H A 3 ASP HBx 1.0 . 3.48 4 3 A 3 ASP H A 3 ASP HBy 1.0 . 3.48 5 4 A 4 GLU H A 4 GLU HGx 1.0 . 4.10 6 4 A 4 GLU H A 4 GLU HGy 1.0 . 4.10 7 5 A 4 GLU HA A 5 MET H 1.0 . 3.55 8 6 A 5 MET H A 5 MET HBx 1.0 . 3.55 9 6 A 5 MET H A 5 MET HBy 1.0 . 3.55 10 7 A 5 MET H A 5 MET HGx 1.0 . 3.97 11 8 A 7 LYS H A 8 THR H 1.0 . 4.37 12 9 A 8 THR H A 8 THR HB 1.0 . 4.01 13 10 A 8 THR H A 59 ALA HB% 1.0 . 5.27 14 11 A 8 THR H A 7 LYS HGx 1.0 . 5.17 15 11 A 8 THR H A 7 LYS HGy 1.0 . 5.17 16 12 A 8 THR H A 8 THR HG2% 1.0 . 5.38 17 13 A 10 TYR H A 9 LEU HBy 1.0 . 4.70 18 14 A 52 GLU H A 52 GLU HBx 1.0 . 3.58 19 14 A 52 GLU H A 52 GLU HBy 1.0 . 3.58 20 15 A 11 VAL HA A 12 GLY H 1.0 . 3.28 21 16 A 12 GLY H A 77 LYS HBy 1.0 . 4.44 22 17 A 12 GLY H A 78 VAL HGy% 1.0 . 4.71 23 18 A 12 GLY H A 11 VAL HGx% 1.0 . 4.05 24 19 A 12 GLY H A 11 VAL HGy% 1.0 . 4.47 25 20 A 14 LEU H A 47 PRO HBy 1.0 . 4.27 26 21 A 14 LEU H A 14 LEU HBy 1.0 . 3.32 27 22 A 14 LEU H A 14 LEU HBx 1.0 . 3.99 28 23 A 14 LEU H A 14 LEU HDx% 1.0 . 3.90 29 23 A 14 LEU H A 14 LEU HDy% 1.0 . 3.90 30 24 A 14 LEU H A 13 ASN HA 1.0 . 3.55 31 25 A 14 LEU H A 13 ASN HBy 1.0 . 4.63 32 26 A 14 LEU H A 13 ASN HBx 1.0 . 4.63 33 27 A 14 LEU H A 13 ASN H 1.0 . 3.86 34 28 A 27 PHE H A 28 SER H 1.0 . 3.88 35 29 A 28 SER H A 29 GLN H 1.0 . 3.93 36 30 A 28 SER H A 28 SER HBx 1.0 . 3.87 37 31 A 14 LEU HA A 15 SER H 1.0 . 3.22 38 32 A 15 SER H A 15 SER HBx 1.0 . 3.78 39 33 A 14 LEU HBy A 15 SER H 1.0 . 3.92 40 34 A 15 SER H A 14 LEU HDx% 1.0 . 4.07 41 34 A 14 LEU HDy% A 15 SER H 1.0 . 4.07 42 35 A 16 ARG H A 15 SER HBx 1.0 . 4.38 43 36 A 17 ASP H A 17 ASP HBy 1.0 . 4.16 44 37 A 17 ASP H A 17 ASP HBx 1.0 . 4.16 45 38 A 17 ASP H A 15 SER HBy 1.0 . 4.71 46 39 A 16 ARG H A 17 ASP H 1.0 . 4.04 47 40 A 17 ASP H A 18 VAL H 1.0 . 3.62 48 41 A 18 VAL H A 15 SER HBy 1.0 . 4.73 49 42 A 18 VAL H A 15 SER HBx 1.0 . 4.73 50 43 A 18 VAL H A 72 MET HGx 1.0 . 5.10 51 43 A 18 VAL H A 72 MET HGy 1.0 . 5.10 52 44 A 18 VAL H A 18 VAL HB 1.0 . 3.31 53 45 A 18 VAL H A 18 VAL HGx% 1.0 . 4.16 54 46 A 18 VAL HB A 19 THR H 1.0 . 4.54 55 47 A 20 GLU H A 20 GLU HBy 1.0 . 3.92 56 48 A 20 GLU H A 19 THR HA 1.0 . 3.12 57 49 A 20 GLU H A 21 ALA H 1.0 . 3.85 58 50 A 21 ALA H A 22 LEU H 1.0 . 3.85 59 51 A 19 THR HA A 21 ALA H 1.0 . 4.77 60 52 A 21 ALA H A 24 LEU HBx 1.0 . 5.50 61 52 A 21 ALA H A 24 LEU HBy 1.0 . 5.50 62 53 A 22 LEU H A 22 LEU HDx% 1.0 . 4.12 63 53 A 22 LEU H A 22 LEU HDy% 1.0 . 4.12 64 54 A 23 ILE H A 23 ILE HB 1.0 . 3.03 65 55 A 30 ILE H A 30 ILE HG1y 1.0 . 3.14 66 56 A 23 ILE H A 23 ILE HD1% 1.0 . 3.88 67 57 A 30 ILE H A 30 ILE HD1% 1.0 . 4.15 68 58 A 23 ILE HB A 24 LEU H 1.0 . 3.54 69 59 A 24 LEU H A 24 LEU HBx 1.0 . 3.12 70 59 A 24 LEU HBy A 24 LEU H 1.0 . 3.12 71 60 A 23 ILE H A 24 LEU H 1.0 . 3.68 72 61 A 24 LEU H A 25 GLN H 1.0 . 3.74 73 62 A 25 GLN H A 25 GLN HBx 1.0 . 3.12 74 62 A 25 GLN H A 25 GLN HBy 1.0 . 3.12 75 63 A 25 GLN H A 24 LEU HBx 1.0 . 3.51 76 63 A 24 LEU HBy A 25 GLN H 1.0 . 3.51 77 64 A 26 LEU H A 25 GLN HBx 1.0 . 3.53 78 64 A 25 GLN HBy A 26 LEU H 1.0 . 3.53 79 65 A 26 LEU H A 26 LEU HBy 1.0 . 3.75 80 66 A 26 LEU H A 26 LEU HBx 1.0 . 3.75 81 67 A 26 LEU H A 26 LEU HG 1.0 . 4.17 82 68 A 26 LEU H A 26 LEU HDy% 1.0 . 4.70 83 69 A 27 PHE H A 26 LEU H 1.0 . 3.65 84 70 A 27 PHE H A 27 PHE HBy 1.0 . 4.09 85 71 A 27 PHE H A 26 LEU HBy 1.0 . 4.13 86 72 A 27 PHE H A 26 LEU HBx 1.0 . 4.13 87 73 A 28 SER H A 27 PHE HBy 1.0 . 4.11 88 74 A 29 GLN H A 30 ILE H 1.0 . 3.62 89 75 A 29 GLN H A 28 SER HBx 1.0 . 3.75 90 76 A 29 GLN H A 29 GLN HBx 1.0 . 3.31 91 76 A 29 GLN H A 29 GLN HBy 1.0 . 3.31 92 77 A 30 ILE HB A 31 GLY H 1.0 . 3.74 93 78 A 30 ILE HG1y A 31 GLY H 1.0 . 4.85 94 79 A 31 GLY H A 62 ALA HB% 1.0 . 5.29 95 80 A 31 GLY H A 28 SER HA 1.0 . 4.19 96 81 A 30 ILE H A 31 GLY H 1.0 . 3.38 97 82 A 33 CYS H A 33 CYS HBy 1.0 . 4.11 98 83 A 33 CYS H A 33 CYS HBx 1.0 . 4.11 99 84 A 34 LYS H A 53 PHE HA 1.0 . 4.28 100 85 A 34 LYS H A 33 CYS HBx 1.0 . 4.61 101 86 A 34 LYS H A 34 LYS HBy 1.0 . 4.19 102 87 A 34 LYS H A 34 LYS HBx 1.0 . 4.19 103 88 A 34 LYS H A 35 ASN H 1.0 . 3.67 104 89 A 35 ASN H A 36 CYS H 1.0 . 4.98 105 90 A 35 ASN H A 33 CYS HA 1.0 . 4.36 106 91 A 35 ASN H A 35 ASN HBx 1.0 . 4.06 107 91 A 35 ASN H A 35 ASN HBy 1.0 . 4.06 108 92 A 35 ASN H A 52 GLU HBx 1.0 . 3.88 109 92 A 52 GLU HBy A 35 ASN H 1.0 . 3.88 110 93 A 35 ASN H A 34 LYS HBy 1.0 . 4.25 111 94 A 35 ASN H A 34 LYS HBx 1.0 . 4.25 112 95 A 36 CYS H A 35 ASN HBx 1.0 . 3.40 113 95 A 36 CYS H A 35 ASN HBy 1.0 . 3.40 114 96 A 36 CYS H A 35 ASN HA 1.0 . 3.32 115 97 A 37 LYS H A 36 CYS HBx 1.0 . 4.20 116 97 A 36 CYS HBy A 37 LYS H 1.0 . 4.20 117 98 A 37 LYS H A 37 LYS HBy 1.0 . 3.92 118 99 A 37 LYS HA A 38 MET H 1.0 . 3.26 119 100 A 38 MET H A 38 MET HBy 1.0 . 4.20 120 101 A 38 MET H A 37 LYS HDx 1.0 . 4.08 121 101 A 38 MET H A 37 LYS HDy 1.0 . 4.08 122 102 A 39 ILE H A 38 MET HBy 1.0 . 4.44 123 103 A 39 ILE H A 38 MET HBx 1.0 . 4.44 124 104 A 39 ILE H A 39 ILE HG1x 1.0 . 4.57 125 105 A 39 ILE H A 39 ILE HB 1.0 . 3.73 126 106 A 41 ASP H A 40 MET HBy 1.0 . 4.21 127 107 A 41 ASP H A 39 ILE HG2% 1.0 . 4.73 128 108 A 41 ASP HA A 42 THR H 1.0 . 3.41 129 109 A 41 ASP HA A 43 ALA H 1.0 . 4.49 130 110 A 45 ASN H A 45 ASN HBx 1.0 . 3.46 131 110 A 45 ASN H A 45 ASN HBy 1.0 . 3.46 132 111 A 46 ASP H A 45 ASN HBx 1.0 . 3.38 133 111 A 45 ASN HBy A 46 ASP H 1.0 . 3.38 134 112 A 46 ASP H A 47 PRO HDx 1.0 . 4.43 135 112 A 46 ASP H A 47 PRO HDy 1.0 . 4.43 136 113 A 46 ASP H A 45 ASN HA 1.0 . 3.19 137 114 A 45 ASN H A 46 ASP H 1.0 . 4.72 138 115 A 47 PRO HA A 48 TYR H 1.0 . 3.37 139 116 A 48 TYR H A 47 PRO HBx 1.0 . 4.01 140 117 A 47 PRO HBy A 48 TYR H 1.0 . 4.16 141 118 A 48 TYR H A 14 LEU HDx% 1.0 . 4.69 142 118 A 14 LEU HDy% A 48 TYR H 1.0 . 4.69 143 119 A 49 CYS H A 48 TYR HBx 1.0 . 4.17 144 120 A 49 CYS H A 50 PHE H 1.0 . 5.14 145 121 A 50 PHE H A 50 PHE HBy 1.0 . 3.71 146 122 A 50 PHE HBx A 51 VAL H 1.0 . 4.11 147 123 A 51 VAL H A 51 VAL HB 1.0 . 3.97 148 124 A 8 THR HG2% A 51 VAL H 1.0 . 4.10 149 125 A 52 GLU H A 36 CYS HA 1.0 . 4.39 150 126 A 53 PHE H A 52 GLU HBx 1.0 . 4.16 151 126 A 52 GLU HBy A 53 PHE H 1.0 . 4.16 152 127 A 54 HIS H A 55 GLU H 1.0 . 4.09 153 128 A 54 HIS H A 31 GLY HAx 1.0 . 5.20 154 129 A 55 GLU H A 31 GLY HAx 1.0 . 5.12 155 130 A 55 GLU H A 54 HIS HBx 1.0 . 4.83 156 131 A 56 HIS H A 7 LYS HEx 1.0 . 4.98 157 131 A 7 LYS HEy A 56 HIS H 1.0 . 4.98 158 132 A 55 GLU HBy A 57 ARG H 1.0 . 4.67 159 133 A 57 ARG H A 57 ARG HBx 1.0 . 3.59 160 133 A 57 ARG H A 57 ARG HBy 1.0 . 3.59 161 134 A 57 ARG H A 57 ARG HGx 1.0 . 4.20 162 134 A 57 ARG H A 57 ARG HGy 1.0 . 4.20 163 135 A 57 ARG H A 56 HIS HBy 1.0 . 4.32 164 136 A 57 ARG H A 56 HIS HBx 1.0 . 4.32 165 137 A 57 ARG H A 57 ARG HDx 1.0 . 4.71 166 137 A 57 ARG H A 57 ARG HDy 1.0 . 4.71 167 138 A 57 ARG H A 58 HIS H 1.0 . 4.36 168 139 A 58 HIS H A 58 HIS HBy 1.0 . 4.17 169 140 A 58 HIS H A 58 HIS HBx 1.0 . 4.17 170 141 A 55 GLU HBy A 58 HIS H 1.0 . 4.29 171 142 A 58 HIS H A 57 ARG HGx 1.0 . 4.28 172 142 A 57 ARG HGy A 58 HIS H 1.0 . 4.28 173 143 A 59 ALA HB% A 59 ALA H 1.0 . 3.33 174 144 A 58 HIS H A 59 ALA H 1.0 . 3.54 175 145 A 59 ALA H A 60 ALA H 1.0 . 3.85 176 146 A 61 ALA H A 61 ALA HB% 1.0 . 3.04 177 147 A 60 ALA H A 61 ALA H 1.0 . 3.60 178 148 A 61 ALA H A 62 ALA H 1.0 . 3.70 179 149 A 63 LEU H A 63 LEU HBx 1.0 . 3.23 180 150 A 63 LEU H A 63 LEU HBy 1.0 . 3.23 181 151 A 63 LEU H A 9 LEU HDx% 1.0 . 5.43 182 152 A 63 LEU H A 9 LEU HDy% 1.0 . 5.43 183 153 A 63 LEU H A 60 ALA HA 1.0 . 4.14 184 154 A 62 ALA H A 63 LEU H 1.0 . 3.76 185 155 A 63 LEU H A 64 ALA H 1.0 . 3.76 186 156 A 64 ALA H A 64 ALA HB% 1.0 . 2.95 187 157 A 64 ALA H A 63 LEU HBx 1.0 . 4.19 188 158 A 65 ALA H A 65 ALA HB% 1.0 . 2.98 189 159 A 65 ALA H A 62 ALA HA 1.0 . 4.11 190 160 A 64 ALA H A 65 ALA H 1.0 . 3.72 191 161 A 65 ALA H A 66 MET H 1.0 . 3.59 192 162 A 66 MET H A 66 MET HBy 1.0 . 3.70 193 163 A 66 MET H A 66 MET HBx 1.0 . 3.70 194 164 A 64 ALA H A 66 MET H 1.0 . 4.41 195 165 A 67 ASN H A 67 ASN HBy 1.0 . 3.92 196 166 A 67 ASN H A 78 VAL HB 1.0 . 3.92 197 167 A 78 VAL HGy% A 67 ASN H 1.0 . 4.19 198 168 A 66 MET H A 67 ASN H 1.0 . 3.67 199 169 A 68 GLY H A 76 VAL HGx% 1.0 . 5.40 200 170 A 78 VAL HGy% A 68 GLY H 1.0 . 5.50 201 171 A 69 ARG H A 76 VAL HGy% 1.0 . 3.70 202 172 A 69 ARG H A 69 ARG HBx 1.0 . 3.12 203 172 A 69 ARG H A 69 ARG HBy 1.0 . 3.12 204 173 A 68 GLY H A 69 ARG H 1.0 . 3.61 205 174 A 70 LYS H A 69 ARG HGy 1.0 . 3.48 206 175 A 70 LYS H A 70 LYS HBy 1.0 . 4.14 207 176 A 70 LYS H A 69 ARG HGx 1.0 . 3.48 208 177 A 71 ILE H A 71 ILE HB 1.0 . 3.72 209 178 A 71 ILE H A 70 LYS HGx 1.0 . 4.48 210 178 A 71 ILE H A 70 LYS HGy 1.0 . 4.48 211 179 A 72 MET H A 72 MET HGx 1.0 . 4.15 212 179 A 72 MET HGy A 72 MET H 1.0 . 4.15 213 180 A 73 GLY H A 74 LYS H 1.0 . 4.19 214 181 A 71 ILE H A 74 LYS H 1.0 . 3.69 215 182 A 75 GLU H A 75 GLU HBy 1.0 . 3.60 216 183 A 75 GLU H A 75 GLU HBx 1.0 . 3.60 217 184 A 75 GLU H A 74 LYS HGx 1.0 . 4.10 218 184 A 75 GLU H A 74 LYS HGy 1.0 . 4.10 219 185 A 75 GLU H A 74 LYS HA 1.0 . 3.17 220 186 A 76 VAL HB A 77 LYS H 1.0 . 3.76 221 187 A 77 LYS HBy A 77 LYS H 1.0 . 3.63 222 188 A 76 VAL HGy% A 77 LYS H 1.0 . 4.26 223 189 A 78 VAL HB A 78 VAL H 1.0 . 3.61 224 190 A 78 VAL H A 67 ASN HA 1.0 . 4.13 225 191 A 10 TYR H A 79 ASN H 1.0 . 4.22 226 192 A 80 TRP H A 80 TRP HBy 1.0 . 3.91 227 193 A 80 TRP H A 80 TRP HBx 1.0 . 3.91 228 194 A 80 TRP H A 79 ASN HBx 1.0 . 3.90 229 195 A 80 TRP H A 79 ASN HA 1.0 . 3.34 230 196 A 9 LEU HA A 81 ALA H 1.0 . 3.82 231 197 A 81 ALA H A 80 TRP HA 1.0 . 3.32 232 198 A 81 ALA HA A 82 THR H 1.0 . 3.41 233 199 A 82 THR HA A 83 THR H 1.0 . 3.38 234 200 A 83 THR H A 82 THR HB 1.0 . 3.80 235 201 A 89 LYS H A 88 LYS HBy 1.0 . 4.62 236 202 A 81 ALA H A 9 LEU HDx% 1.0 . 5.23 237 203 A 81 ALA H A 9 LEU HDy% 1.0 . 5.23 238 204 A 53 PHE H A 8 THR HA 1.0 . 4.44 239 205 A 76 VAL HGx% A 75 GLU H 1.0 . 4.98 240 206 A 4 GLU H A 3 ASP HBx 1.0 . 4.14 241 206 A 3 ASP HBy A 4 GLU H 1.0 . 4.14 242 207 A 5 MET H A 82 THR HG2% 1.0 . 4.64 243 208 A 5 MET H A 6 PRO HDy 1.0 . 4.46 244 209 A 5 MET H A 5 MET HGy 1.0 . 3.97 245 210 A 11 VAL H A 11 VAL HB 1.0 . 3.90 246 211 A 11 VAL H A 10 TYR HBy 1.0 . 4.61 247 212 A 11 VAL H A 50 PHE HA 1.0 . 4.66 248 213 A 49 CYS H A 11 VAL H 1.0 . 4.05 249 214 A 12 GLY H A 78 VAL HA 1.0 . 4.59 250 215 A 12 GLY H A 77 LYS HGx 1.0 . 4.82 251 215 A 12 GLY H A 77 LYS HGy 1.0 . 4.82 252 216 A 14 LEU HBy A 13 ASN H 1.0 . 4.75 253 217 A 16 ARG H A 16 ARG HDx 1.0 . 4.84 254 217 A 16 ARG H A 16 ARG HDy 1.0 . 4.84 255 218 A 17 ASP H A 15 SER HBx 1.0 . 4.71 256 219 A 19 THR H A 22 LEU H 1.0 . 4.89 257 220 A 19 THR H A 23 ILE H 1.0 . 5.41 258 221 A 19 THR HA A 22 LEU H 1.0 . 5.12 259 222 A 22 LEU H A 19 THR HB 1.0 . 5.49 260 223 A 30 ILE H A 29 GLN HA 1.0 . 3.55 261 224 A 22 LEU H A 25 GLN H 1.0 . 5.42 262 225 A 23 ILE H A 25 GLN H 1.0 . 5.50 263 226 A 27 PHE H A 26 LEU HG 1.0 . 5.41 264 227 A 27 PHE H A 26 LEU HDx% 1.0 . 5.50 265 228 A 27 PHE H A 26 LEU HDy% 1.0 . 5.50 266 229 A 28 SER H A 30 ILE H 1.0 . 4.67 267 230 A 34 LYS H A 33 CYS HBy 1.0 . 4.61 268 231 A 36 CYS H A 24 LEU HDx% 1.0 . 5.38 269 232 A 36 CYS H A 24 LEU HDy% 1.0 . 5.38 270 233 A 38 MET H A 37 LYS HGx 1.0 . 4.60 271 233 A 38 MET H A 37 LYS HGy 1.0 . 4.60 272 234 A 39 ILE H A 48 TYR H 1.0 . 5.03 273 235 A 48 TYR H A 49 CYS H 1.0 . 5.43 274 236 A 49 CYS H A 10 TYR HD% 1.0 . 5.50 275 237 A 49 CYS H A 11 VAL HB 1.0 . 4.42 276 238 A 37 LYS HBy A 50 PHE H 1.0 . 4.74 277 239 A 50 PHE H A 38 MET HA 1.0 . 4.87 278 240 A 39 ILE H A 50 PHE H 1.0 . 5.03 279 241 A 51 VAL H A 9 LEU H 1.0 . 4.37 280 242 A 50 PHE H A 51 VAL H 1.0 . 5.20 281 243 A 52 GLU H A 51 VAL H 1.0 . 5.16 282 244 A 52 GLU H A 51 VAL HB 1.0 . 4.64 283 245 A 52 GLU H A 35 ASN H 1.0 . 4.48 284 246 A 59 ALA HB% A 53 PHE H 1.0 . 4.70 285 247 A 56 HIS H A 57 ARG H 1.0 . 4.92 286 248 A 59 ALA H A 61 ALA H 1.0 . 4.82 287 249 A 61 ALA H A 30 ILE HG2% 1.0 . 4.80 288 250 A 62 ALA H A 59 ALA HA 1.0 . 4.77 289 251 A 63 LEU H A 9 LEU HG 1.0 . 5.15 290 252 A 63 LEU H A 30 ILE HG2% 1.0 . 5.47 291 253 A 78 VAL HGy% A 66 MET H 1.0 . 4.53 292 254 A 62 ALA HA A 66 MET H 1.0 . 4.72 293 255 A 67 ASN H A 68 GLY H 1.0 . 5.06 294 256 A 67 ASN H A 78 VAL H 1.0 . 5.50 295 257 A 67 ASN H A 69 ARG H 1.0 . 4.93 296 258 A 65 ALA HB% A 67 ASN H 1.0 . 4.69 297 259 A 68 GLY H A 69 ARG HBx 1.0 . 4.63 298 259 A 68 GLY H A 69 ARG HBy 1.0 . 4.63 299 260 A 68 GLY H A 67 ASN HBx 1.0 . 4.54 300 261 A 69 ARG H A 76 VAL HB 1.0 . 4.98 301 262 A 73 GLY H A 72 MET HBx 1.0 . 4.78 302 263 A 73 GLY H A 72 MET HBy 1.0 . 4.78 303 264 A 72 MET H A 73 GLY H 1.0 . 4.59 304 265 A 74 LYS H A 75 GLU H 1.0 . 4.86 305 266 A 75 GLU H A 76 VAL H 1.0 . 4.79 306 267 A 69 ARG H A 76 VAL H 1.0 . 5.50 307 268 A 76 VAL HB A 76 VAL H 1.0 . 3.94 308 269 A 76 VAL HGy% A 76 VAL H 1.0 . 3.32 309 270 A 11 VAL HGx% A 77 LYS H 1.0 . 4.56 310 271 A 12 GLY H A 77 LYS H 1.0 . 4.44 311 272 A 11 VAL HGy% A 79 ASN H 1.0 . 4.90 312 273 A 78 VAL HB A 79 ASN H 1.0 . 4.64 313 274 A 11 VAL HA A 79 ASN H 1.0 . 4.68 314 275 A 80 TRP H A 63 LEU HDx% 1.0 . 5.07 315 276 A 81 ALA H A 80 TRP HBy 1.0 . 4.45 316 277 A 81 ALA H A 80 TRP HBx 1.0 . 4.45 317 278 A 10 TYR H A 81 ALA H 1.0 . 4.62 318 279 A 81 ALA H A 9 LEU H 1.0 . 5.28 319 280 A 83 THR H A 82 THR HG2% 1.0 . 4.47 320 281 A 83 THR H A 83 THR HG2% 1.0 . 4.82 321 282 A 22 LEU H A 23 ILE HB 1.0 . 4.70 322 283 A 70 LYS H A 70 LYS HGx 1.0 . 4.46 323 283 A 70 LYS H A 70 LYS HGy 1.0 . 4.46 324 284 A 41 ASP H A 40 MET HBx 1.0 . 4.21 325 285 A 77 LYS H A 76 VAL H 1.0 . 4.66 326 286 A 38 MET H A 37 LYS HBx 1.0 . 3.63 327 287 A 11 VAL H A 10 TYR HBx 1.0 . 4.61 328 288 A 77 LYS HBy A 78 VAL H 1.0 . 4.72 329 289 A 78 VAL H A 77 LYS HDx 1.0 . 5.22 330 289 A 78 VAL H A 77 LYS HDy 1.0 . 5.22 331 290 A 78 VAL H A 77 LYS HBx 1.0 . 3.60 332 291 A 89 LYS H A 88 LYS HBx 1.0 . 4.62 333 292 A 90 ASP H A 89 LYS HBy 1.0 . 5.02 334 293 A 90 ASP H A 89 LYS HBx 1.0 . 5.02 335 294 A 23 ILE H A 22 LEU HBx 1.0 . 3.73 336 295 A 23 ILE H A 22 LEU HBy 1.0 . 3.73 337 296 A 30 ILE H A 27 PHE HA 1.0 . 4.31 338 297 A 68 GLY H A 67 ASN HBy 1.0 . 4.54 339 298 A 28 SER H A 27 PHE HBx 1.0 . 4.11 340 299 A 5 MET HA A 6 PRO HDx 1.0 . 3.60 341 300 A 71 ILE H A 70 LYS HA 1.0 . 3.15 342 301 A 68 GLY H A 67 ASN HA 1.0 . 3.14 343 302 A 76 VAL H A 75 GLU HA 1.0 . 3.01 344 303 A 22 LEU HA A 22 LEU HDx% 1.0 . 3.40 345 303 A 22 LEU HDy% A 22 LEU HA 1.0 . 3.40 346 304 A 4 GLU HA A 4 GLU HGx 1.0 . 3.69 347 304 A 4 GLU HGy A 4 GLU HA 1.0 . 3.69 348 305 A 70 LYS H A 69 ARG HA 1.0 . 3.01 349 306 A 20 GLU HGx A 24 LEU HBx 1.0 . 3.67 350 306 A 20 GLU HGy A 24 LEU HBx 1.0 . 3.67 351 306 A 24 LEU HBy A 20 GLU HGx 1.0 . 3.67 352 306 A 24 LEU HBy A 20 GLU HGy 1.0 . 3.67 353 307 A 55 GLU HGy A 54 HIS HBy 1.0 . 4.84 354 307 A 54 HIS HBy A 55 GLU HGx 1.0 . 4.84 355 308 A 43 ALA H A 43 ALA HB% 1.0 . 3.25 356 309 A 43 ALA HB% A 44 GLY H 1.0 . 4.00 357 310 A 62 ALA H A 30 ILE HG2% 1.0 . 3.77 358 311 A 64 ALA HB% A 65 ALA H 1.0 . 3.43 359 312 A 22 LEU H A 21 ALA HB% 1.0 . 3.54 360 313 A 23 ILE HG2% A 27 PHE HD% 1.0 . 3.54 361 314 A 30 ILE H A 30 ILE HG2% 1.0 . 4.34 362 315 A 31 GLY H A 30 ILE HG2% 1.0 . 4.14 363 316 A 30 ILE HG2% A 53 PHE HE% 1.0 . 4.68 364 317 A 23 ILE HG2% A 27 PHE HE% 1.0 . 4.16 365 318 A 59 ALA HB% A 58 HIS H 1.0 . 3.93 366 319 A 24 LEU H A 23 ILE HG2% 1.0 . 4.01 367 320 A 61 ALA HB% A 62 ALA H 1.0 . 3.44 368 321 A 59 ALA HB% A 60 ALA H 1.0 . 3.63 369 322 A 21 ALA H A 21 ALA HB% 1.0 . 3.08 370 323 A 39 ILE HG2% A 40 MET H 1.0 . 3.62 371 324 A 59 ALA HB% A 53 PHE HD% 1.0 . 3.71 372 325 A 60 ALA H A 60 ALA HB% 1.0 . 3.20 373 326 A 61 ALA H A 60 ALA HB% 1.0 . 3.47 374 327 A 59 ALA HB% A 56 HIS HA 1.0 . 3.87 375 328 A 30 ILE HG2% A 58 HIS HA 1.0 . 3.95 376 329 A 30 ILE HG2% A 30 ILE HA 1.0 . 3.23 377 330 A 23 ILE HG2% A 23 ILE HA 1.0 . 3.43 378 331 A 59 ALA HB% A 7 LYS HA 1.0 . 3.55 379 332 A 39 ILE HG2% A 39 ILE HA 1.0 . 3.27 380 333 A 61 ALA HB% A 62 ALA HA 1.0 . 4.10 381 334 A 71 ILE HA A 71 ILE HG2% 1.0 . 3.41 382 335 A 62 ALA HB% A 59 ALA HA 1.0 . 3.67 383 336 A 23 ILE HG2% A 36 CYS HBx 1.0 . 4.96 384 336 A 36 CYS HBy A 23 ILE HG2% 1.0 . 4.96 385 337 A 71 ILE HG2% A 72 MET HGx 1.0 . 3.34 386 337 A 72 MET HGy A 71 ILE HG2% 1.0 . 3.34 387 338 A 30 ILE HG2% A 30 ILE HG1x 1.0 . 3.43 388 339 A 23 ILE HG2% A 23 ILE HG1x 1.0 . 4.02 389 340 A 39 ILE HG2% A 39 ILE HG1y 1.0 . 3.84 390 341 A 61 ALA HB% A 30 ILE HG2% 1.0 . 3.21 391 342 A 59 ALA HB% A 9 LEU HG 1.0 . 3.92 392 343 A 62 ALA HB% A 30 ILE HG2% 1.0 . 3.02 393 344 A 30 ILE HD1% A 65 ALA HB% 1.0 . 3.36 394 345 A 71 ILE HB A 71 ILE HD1% 1.0 . 3.32 395 346 A 39 ILE HD1% A 37 LYS HEx 1.0 . 4.11 396 346 A 37 LYS HEy A 39 ILE HD1% 1.0 . 4.11 397 347 A 30 ILE HD1% A 30 ILE HA 1.0 . 3.48 398 348 A 30 ILE HD1% A 62 ALA HA 1.0 . 3.88 399 349 A 30 ILE HD1% A 29 GLN HBx 1.0 . 3.77 400 349 A 30 ILE HD1% A 29 GLN HBy 1.0 . 3.77 401 350 A 23 ILE HD1% A 23 ILE HA 1.0 . 3.21 402 351 A 23 ILE HB A 23 ILE HD1% 1.0 . 4.10 403 352 A 39 ILE H A 39 ILE HG2% 1.0 . 4.05 404 353 A 72 MET H A 71 ILE HG2% 1.0 . 4.09 405 354 A 8 THR HG2% A 50 PHE HBx 1.0 . 3.53 406 355 A 19 THR HG2% A 22 LEU HBy 1.0 . 4.03 407 356 A 11 VAL HGx% A 76 VAL HB 1.0 . 3.75 408 357 A 8 THR HG2% A 52 GLU HGx 1.0 . 4.29 409 357 A 8 THR HG2% A 52 GLU HGy 1.0 . 4.29 410 358 A 11 VAL HGx% A 77 LYS HGx 1.0 . 5.03 411 358 A 11 VAL HGx% A 77 LYS HGy 1.0 . 5.03 412 359 A 23 ILE HD1% A 19 THR HG2% 1.0 . 5.13 413 360 A 78 VAL HGy% A 66 MET HBy 1.0 . 3.68 414 361 A 76 VAL HGy% A 77 LYS HGx 1.0 . 4.26 415 361 A 76 VAL HGy% A 77 LYS HGy 1.0 . 4.26 416 362 A 78 VAL HGy% A 66 MET HBx 1.0 . 3.68 417 363 A 11 VAL HGy% A 9 LEU HBy 1.0 . 4.22 418 364 A 11 VAL HGy% A 78 VAL HGx% 1.0 . 3.37 419 365 A 11 VAL HGy% A 9 LEU HBx 1.0 . 4.22 420 366 A 14 LEU HDy% A 18 VAL HGy% 1.0 . 3.22 421 366 A 18 VAL HGy% A 14 LEU HDx% 1.0 . 3.22 422 367 A 78 VAL HGy% A 11 VAL HGy% 1.0 . 3.56 423 368 A 78 VAL HGy% A 11 VAL HGx% 1.0 . 2.91 424 369 A 14 LEU HA A 14 LEU HDx% 1.0 . 3.24 425 369 A 14 LEU HDy% A 14 LEU HA 1.0 . 3.24 426 370 A 76 VAL HGy% A 76 VAL HA 1.0 . 3.47 427 371 A 26 LEU HA A 26 LEU HDx% 1.0 . 3.50 428 372 A 18 VAL HA A 18 VAL HGy% 1.0 . 4.10 429 373 A 11 VAL HA A 78 VAL HGy% 1.0 . 4.23 430 374 A 78 VAL HGy% A 67 ASN HA 1.0 . 3.51 431 375 A 8 THR HG2% A 9 LEU HA 1.0 . 4.54 432 376 A 41 ASP HA A 42 THR HG2% 1.0 . 4.31 433 377 A 82 THR HA A 82 THR HG2% 1.0 . 3.60 434 378 A 11 VAL HA A 11 VAL HGx% 1.0 . 3.39 435 379 A 18 VAL H A 18 VAL HGy% 1.0 . 4.16 436 380 A 78 VAL HGy% A 27 PHE HE% 1.0 . 3.65 437 381 A 8 THR HG2% A 50 PHE HE% 1.0 . 4.10 438 382 A 19 THR H A 19 THR HG2% 1.0 . 3.70 439 383 A 78 VAL HGy% A 78 VAL H 1.0 . 3.63 440 384 A 8 THR HG2% A 9 LEU H 1.0 . 3.67 441 385 A 20 GLU H A 19 THR HG2% 1.0 . 4.39 442 386 A 52 GLU H A 51 VAL HGx% 1.0 . 4.75 443 387 A 52 GLU H A 51 VAL HGy% 1.0 . 4.75 444 388 A 42 THR H A 42 THR HG2% 1.0 . 4.01 445 389 A 11 VAL HGy% A 11 VAL H 1.0 . 3.71 446 390 A 11 VAL HGx% A 27 PHE HE% 1.0 . 4.00 447 391 A 11 VAL HGy% A 27 PHE HE% 1.0 . 3.59 448 392 A 81 ALA H A 81 ALA HB% 1.0 . 3.33 449 393 A 76 VAL HGx% A 71 ILE H 1.0 . 3.55 450 394 A 76 VAL HGx% A 76 VAL H 1.0 . 3.76 451 395 A 76 VAL HGx% A 69 ARG H 1.0 . 4.52 452 396 A 81 ALA HB% A 50 PHE HD% 1.0 . 4.31 453 397 A 50 PHE HE% A 81 ALA HB% 1.0 . 3.88 454 398 A 82 THR H A 81 ALA HB% 1.0 . 3.91 455 399 A 65 ALA HB% A 66 MET H 1.0 . 3.61 456 400 A 27 PHE HD% A 51 VAL HGx% 1.0 . 4.96 457 401 A 27 PHE HD% A 51 VAL HGy% 1.0 . 4.96 458 402 A 11 VAL HA A 11 VAL HGy% 1.0 . 3.56 459 403 A 8 THR HG2% A 8 THR HA 1.0 . 3.47 460 404 A 76 VAL HGy% A 75 GLU HA 1.0 . 3.89 461 405 A 78 VAL HGy% A 78 VAL HA 1.0 . 3.53 462 406 A 36 CYS HBy A 24 LEU HDx% 1.0 . 4.03 463 406 A 24 LEU HDx% A 36 CYS HBx 1.0 . 4.03 464 407 A 36 CYS HBy A 24 LEU HDy% 1.0 . 4.03 465 407 A 24 LEU HDy% A 36 CYS HBx 1.0 . 4.03 466 408 A 24 LEU HDx% A 24 LEU HBx 1.0 . 3.59 467 408 A 24 LEU HBy A 24 LEU HDx% 1.0 . 3.59 468 409 A 24 LEU HBx A 24 LEU HDy% 1.0 . 3.59 469 409 A 24 LEU HBy A 24 LEU HDy% 1.0 . 3.59 470 410 A 14 LEU HBx A 14 LEU HDx% 1.0 . 3.43 471 410 A 14 LEU HBx A 14 LEU HDy% 1.0 . 3.43 472 411 A 14 LEU HDy% A 18 VAL HGx% 1.0 . 3.22 473 411 A 14 LEU HDx% A 18 VAL HGx% 1.0 . 3.22 474 412 A 78 VAL HA A 78 VAL HGx% 1.0 . 3.53 475 413 A 24 LEU HA A 24 LEU HDx% 1.0 . 3.72 476 414 A 24 LEU HA A 24 LEU HDy% 1.0 . 3.72 477 415 A 63 LEU HA A 63 LEU HDy% 1.0 . 4.60 478 416 A 79 ASN HA A 63 LEU HDy% 1.0 . 4.33 479 417 A 19 THR H A 22 LEU HDx% 1.0 . 4.07 480 417 A 19 THR H A 22 LEU HDy% 1.0 . 4.07 481 418 A 27 PHE HE% A 78 VAL HGx% 1.0 . 4.04 482 419 A 49 CYS H A 14 LEU HG 1.0 . 4.15 483 420 A 80 TRP HE1 A 63 LEU HDy% 1.0 . 4.25 484 421 A 80 TRP HE1 A 63 LEU HDx% 1.0 . 4.25 485 422 A 79 ASN H A 78 VAL HGx% 1.0 . 3.67 486 423 A 80 TRP H A 63 LEU HDy% 1.0 . 5.07 487 424 A 23 ILE H A 23 ILE HG1y 1.0 . 4.23 488 425 A 80 TRP HD1 A 63 LEU HDx% 1.0 . 4.33 489 426 A 26 LEU H A 26 LEU HDx% 1.0 . 4.70 490 427 A 14 LEU HG A 48 TYR HA 1.0 . 3.69 491 428 A 18 VAL HA A 22 LEU HDx% 1.0 . 3.96 492 428 A 22 LEU HDy% A 18 VAL HA 1.0 . 3.96 493 429 A 23 ILE HA A 22 LEU HDx% 1.0 . 4.51 494 429 A 22 LEU HDy% A 23 ILE HA 1.0 . 4.51 495 430 A 22 LEU HDx% A 72 MET HGx 1.0 . 3.70 496 430 A 72 MET HGy A 22 LEU HDx% 1.0 . 3.70 497 430 A 72 MET HGy A 22 LEU HDy% 1.0 . 3.70 498 430 A 22 LEU HDy% A 72 MET HGx 1.0 . 3.70 499 431 A 22 LEU HA A 25 GLN HBx 1.0 . 3.87 500 431 A 25 GLN HBy A 22 LEU HA 1.0 . 3.87 501 432 A 39 ILE HG2% A 39 ILE HG1x 1.0 . 3.84 502 433 A 34 LYS HDy A 34 LYS HBx 1.0 . 4.07 503 433 A 34 LYS HBx A 34 LYS HDx 1.0 . 4.07 504 434 A 30 ILE HG1y A 30 ILE HG2% 1.0 . 3.91 505 435 A 36 CYS H A 36 CYS HBx 1.0 . 3.96 506 435 A 36 CYS H A 36 CYS HBy 1.0 . 3.96 507 436 A 20 GLU H A 20 GLU HBx 1.0 . 3.92 508 437 A 50 PHE H A 49 CYS HBx 1.0 . 4.11 509 438 A 72 MET HGy A 18 VAL HGx% 1.0 . 4.68 510 438 A 18 VAL HGx% A 72 MET HGx 1.0 . 4.68 511 439 A 25 GLN HA A 25 GLN HGx 1.0 . 3.97 512 439 A 25 GLN HA A 25 GLN HGy 1.0 . 3.97 513 440 A 28 SER HBx A 25 GLN HGx 1.0 . 3.80 514 440 A 28 SER HBx A 25 GLN HGy 1.0 . 3.80 515 441 A 25 GLN HGy A 29 GLN HBx 1.0 . 4.10 516 441 A 25 GLN HGx A 29 GLN HBx 1.0 . 4.10 517 441 A 29 GLN HBy A 25 GLN HGx 1.0 . 4.10 518 441 A 29 GLN HBy A 25 GLN HGy 1.0 . 4.10 519 442 A 30 ILE H A 30 ILE HB 1.0 . 3.74 520 443 A 76 VAL HA A 13 ASN HBy 1.0 . 4.40 521 444 A 67 ASN H A 67 ASN HBx 1.0 . 3.92 522 445 A 20 GLU H A 20 GLU HGx 1.0 . 4.19 523 445 A 20 GLU H A 20 GLU HGy 1.0 . 4.19 524 446 A 10 TYR H A 10 TYR HBx 1.0 . 4.09 525 447 A 10 TYR H A 10 TYR HBy 1.0 . 4.09 526 448 A 76 VAL HGy% A 71 ILE HB 1.0 . 5.24 527 449 A 53 PHE H A 53 PHE HBx 1.0 . 4.03 528 449 A 53 PHE H A 53 PHE HBy 1.0 . 4.03 529 450 A 50 PHE H A 50 PHE HBx 1.0 . 3.95 530 451 A 31 GLY HAx A 53 PHE HBx 1.0 . 4.17 531 451 A 31 GLY HAx A 53 PHE HBy 1.0 . 4.17 532 452 A 22 LEU HDy% A 22 LEU HBy 1.0 . 3.74 533 452 A 22 LEU HBy A 22 LEU HDx% 1.0 . 3.74 534 453 A 22 LEU HDy% A 22 LEU HBx 1.0 . 3.74 535 453 A 22 LEU HBx A 22 LEU HDx% 1.0 . 3.74 536 454 A 50 PHE HBy A 37 LYS HGx 1.0 . 3.98 537 454 A 50 PHE HBy A 37 LYS HGy 1.0 . 3.98 538 455 A 8 THR HG2% A 50 PHE HBy 1.0 . 5.31 539 456 A 69 ARG HBx A 69 ARG HDx 1.0 . 3.26 540 456 A 69 ARG HBy A 69 ARG HDx 1.0 . 3.26 541 456 A 69 ARG HDy A 69 ARG HBx 1.0 . 3.26 542 456 A 69 ARG HBy A 69 ARG HDy 1.0 . 3.26 543 457 A 64 ALA H A 63 LEU HBy 1.0 . 4.19 544 458 A 55 GLU HBy A 32 PRO HDy 1.0 . 4.63 545 459 A 55 GLU HBy A 32 PRO HDx 1.0 . 4.63 546 460 A 31 GLY HAx A 32 PRO HDy 1.0 . 3.93 547 461 A 31 GLY HAx A 32 PRO HDx 1.0 . 3.93 548 462 A 5 MET HA A 6 PRO HDy 1.0 . 3.60 549 463 A 82 THR HG2% A 6 PRO HDx 1.0 . 4.56 550 464 A 49 CYS H A 48 TYR HA 1.0 . 3.46 551 465 A 53 PHE H A 52 GLU HA 1.0 . 3.48 552 466 A 10 TYR H A 9 LEU HA 1.0 . 3.41 553 467 A 4 GLU H A 3 ASP HA 1.0 . 3.57 554 468 A 74 LYS HA A 74 LYS HGx 1.0 . 3.97 555 468 A 74 LYS HGy A 74 LYS HA 1.0 . 3.97 556 469 A 21 ALA HA A 24 LEU HBx 1.0 . 3.66 557 469 A 24 LEU HBy A 21 ALA HA 1.0 . 3.66 558 470 A 65 ALA HB% A 62 ALA HA 1.0 . 3.80 559 471 A 62 ALA HA A 30 ILE HG2% 1.0 . 4.07 560 472 A 59 ALA HB% A 60 ALA HA 1.0 . 4.28 561 473 A 47 PRO HBx A 40 MET HA 1.0 . 4.10 562 474 A 14 LEU HBy A 48 TYR HA 1.0 . 4.17 563 475 A 55 GLU HA A 55 GLU HGx 1.0 . 3.82 564 475 A 55 GLU HGy A 55 GLU HA 1.0 . 3.82 565 476 A 77 LYS HA A 77 LYS HDx 1.0 . 4.20 566 476 A 77 LYS HDy A 77 LYS HA 1.0 . 4.20 567 477 A 72 MET HA A 72 MET HGx 1.0 . 3.73 568 477 A 72 MET HGy A 72 MET HA 1.0 . 3.73 569 478 A 8 THR HA A 52 GLU HA 1.0 . 3.62 570 479 A 39 ILE H A 49 CYS HA 1.0 . 4.11 571 480 A 50 PHE H A 49 CYS HA 1.0 . 3.27 572 481 A 51 VAL H A 50 PHE HA 1.0 . 3.22 573 482 A 39 ILE H A 38 MET HA 1.0 . 2.92 574 483 A 41 ASP H A 40 MET HA 1.0 . 3.51 575 484 A 37 LYS H A 36 CYS HA 1.0 . 3.31 576 485 A 11 VAL H A 10 TYR HA 1.0 . 3.34 577 486 A 78 VAL H A 77 LYS HA 1.0 . 3.16 578 487 A 26 LEU HA A 26 LEU HDy% 1.0 . 3.50 579 488 A 34 LYS HA A 34 LYS HGx 1.0 . 3.71 580 488 A 34 LYS HA A 34 LYS HGy 1.0 . 3.71 581 489 A 57 ARG HA A 57 ARG HGx 1.0 . 3.68 582 489 A 57 ARG HGy A 57 ARG HA 1.0 . 3.68 583 490 A 61 ALA HB% A 58 HIS HA 1.0 . 3.75 584 491 A 16 ARG HA A 16 ARG HGx 1.0 . 3.90 585 491 A 16 ARG HA A 16 ARG HGy 1.0 . 3.90 586 492 A 34 LYS H A 33 CYS HA 1.0 . 3.45 587 493 A 16 ARG H A 15 SER HA 1.0 . 3.25 588 494 A 70 LYS HA A 70 LYS HGx 1.0 . 3.99 589 494 A 70 LYS HGy A 70 LYS HA 1.0 . 3.99 590 495 A 76 VAL HGy% A 67 ASN HA 1.0 . 3.62 591 496 A 76 VAL HGx% A 75 GLU HA 1.0 . 4.61 592 497 A 78 VAL HGx% A 63 LEU HA 1.0 . 3.31 593 498 A 11 VAL HA A 78 VAL HA 1.0 . 3.73 594 499 A 79 ASN H A 78 VAL HA 1.0 . 3.24 595 500 A 56 HIS HA A 7 LYS HA 1.0 . 3.98 596 501 A 83 THR HA A 84 PRO HDy 1.0 . 3.43 597 502 A 83 THR HA A 84 PRO HDx 1.0 . 3.43 598 503 A 53 PHE HA A 33 CYS HA 1.0 . 3.91 599 504 A 72 MET H A 71 ILE HA 1.0 . 3.47 600 505 A 40 MET H A 39 ILE HA 1.0 . 3.17 601 506 A 11 VAL HA A 78 VAL HGx% 1.0 . 4.35 602 507 A 83 THR HG2% A 83 THR HA 1.0 . 3.80 603 508 A 71 ILE HA A 71 ILE HG1x 1.0 . 4.07 604 509 A 39 ILE HA A 39 ILE HD1% 1.0 . 3.49 605 510 A 36 CYS HA A 51 VAL HA 1.0 . 3.70 606 511 A 71 ILE HA A 71 ILE HG1y 1.0 . 4.07 607 512 A 20 GLU HA A 20 GLU HGx 1.0 . 3.61 608 512 A 20 GLU HGy A 20 GLU HA 1.0 . 3.61 609 513 A 23 ILE HB A 20 GLU HA 1.0 . 3.49 610 514 A 30 ILE HG1y A 30 ILE HA 1.0 . 4.13 611 515 A 20 GLU HA A 24 LEU HBx 1.0 . 4.72 612 515 A 24 LEU HBy A 20 GLU HA 1.0 . 4.72 613 516 A 76 VAL HGx% A 76 VAL HA 1.0 . 3.55 614 517 A 52 GLU H A 51 VAL HA 1.0 . 3.17 615 518 A 77 LYS H A 76 VAL HA 1.0 . 3.16 616 519 A 8 THR HA A 9 LEU H 1.0 . 3.36 617 520 A 23 ILE HA A 26 LEU HDx% 1.0 . 4.96 618 521 A 23 ILE HA A 26 LEU HDy% 1.0 . 4.96 619 522 A 30 ILE HG1y A 27 PHE HA 1.0 . 4.26 620 523 A 62 ALA HB% A 27 PHE HA 1.0 . 4.65 621 524 A 42 THR HG2% A 42 THR HA 1.0 . 3.54 622 525 A 15 SER H A 15 SER HBy 1.0 . 3.78 623 526 A 19 THR H A 18 VAL HA 1.0 . 3.20 624 527 A 33 CYS H A 32 PRO HA 1.0 . 3.21 625 528 A 18 VAL HA A 18 VAL HGx% 1.0 . 4.10 626 529 A 82 THR HB A 83 THR HA 1.0 . 4.26 627 530 A 8 THR HB A 81 ALA HB% 1.0 . 3.83 628 531 A 82 THR HG2% A 6 PRO HDy 1.0 . 4.56 629 532 A 5 MET H A 6 PRO HDx 1.0 . 4.46 630 533 A 82 THR H A 82 THR HG2% 1.0 . 4.46 631 534 A 8 THR HG2% A 81 ALA HB% 1.0 . 2.98 632 535 A 21 ALA HB% A 19 THR HG2% 1.0 . 2.73 633 536 A 19 THR HG2% A 22 LEU HDx% 1.0 . 3.35 634 536 A 22 LEU HDy% A 19 THR HG2% 1.0 . 3.35 635 537 A 10 TYR H A 9 LEU HBx 1.0 . 4.70 636 538 A 50 PHE HE% A 10 TYR HA 1.0 . 4.42 637 539 A 50 PHE HA A 10 TYR HA 1.0 . 4.11 638 540 A 11 VAL HGy% A 10 TYR HA 1.0 . 4.68 639 541 A 11 VAL HGx% A 11 VAL H 1.0 . 4.44 640 542 A 11 VAL HGx% A 78 VAL HA 1.0 . 4.78 641 543 A 77 LYS HBy A 11 VAL HGx% 1.0 . 4.80 642 544 A 76 VAL HA A 13 ASN HBx 1.0 . 4.40 643 545 A 14 LEU HA A 18 VAL HGx% 1.0 . 5.19 644 546 A 47 PRO HBy A 14 LEU HBy 1.0 . 4.69 645 547 A 14 LEU HBy A 47 PRO HGx 1.0 . 4.97 646 547 A 14 LEU HBy A 47 PRO HGy 1.0 . 4.97 647 548 A 14 LEU HBx A 15 SER H 1.0 . 4.66 648 549 A 18 VAL HB A 14 LEU HG 1.0 . 5.50 649 550 A 47 PRO HBx A 14 LEU HG 1.0 . 5.50 650 551 A 14 LEU H A 14 LEU HG 1.0 . 4.57 651 552 A 48 TYR H A 14 LEU HG 1.0 . 4.99 652 553 A 16 ARG H A 15 SER HBy 1.0 . 4.38 653 554 A 18 VAL H A 16 ARG HA 1.0 . 4.82 654 555 A 18 VAL H A 16 ARG HDx 1.0 . 5.50 655 555 A 18 VAL H A 16 ARG HDy 1.0 . 5.50 656 556 A 16 ARG HA A 16 ARG HDx 1.0 . 4.19 657 556 A 16 ARG HDy A 16 ARG HA 1.0 . 4.19 658 557 A 38 MET HA A 49 CYS HA 1.0 . 3.72 659 558 A 19 THR HA A 19 THR HG2% 1.0 . 3.39 660 559 A 21 ALA H A 19 THR HB 1.0 . 4.61 661 560 A 20 GLU H A 19 THR HB 1.0 . 4.00 662 561 A 21 ALA H A 19 THR HG2% 1.0 . 4.70 663 562 A 19 THR HG2% A 18 VAL HA 1.0 . 4.46 664 563 A 19 THR HG2% A 20 GLU HA 1.0 . 5.15 665 564 A 19 THR HG2% A 22 LEU HBx 1.0 . 4.03 666 565 A 19 THR HG2% A 22 LEU HG 1.0 . 4.28 667 566 A 23 ILE H A 20 GLU HA 1.0 . 4.33 668 567 A 24 LEU H A 20 GLU HA 1.0 . 4.99 669 568 A 20 GLU HA A 23 ILE HG1y 1.0 . 5.13 670 569 A 23 ILE HD1% A 20 GLU HA 1.0 . 5.50 671 570 A 23 ILE HG2% A 20 GLU HA 1.0 . 4.62 672 571 A 30 ILE HB A 53 PHE HE% 1.0 . 4.42 673 572 A 24 LEU H A 21 ALA HA 1.0 . 4.47 674 573 A 19 THR HB A 21 ALA HB% 1.0 . 4.82 675 574 A 21 ALA HB% A 24 LEU HBx 1.0 . 4.52 676 574 A 24 LEU HBy A 21 ALA HB% 1.0 . 4.52 677 575 A 22 LEU HA A 25 GLN HGx 1.0 . 4.74 678 575 A 22 LEU HA A 25 GLN HGy 1.0 . 4.74 679 576 A 26 LEU HA A 25 GLN HGx 1.0 . 4.55 680 576 A 26 LEU HA A 25 GLN HGy 1.0 . 4.55 681 577 A 26 LEU HA A 29 GLN HGx 1.0 . 5.18 682 577 A 26 LEU HA A 29 GLN HGy 1.0 . 5.18 683 578 A 22 LEU H A 22 LEU HG 1.0 . 5.12 684 579 A 23 ILE H A 22 LEU HG 1.0 . 5.50 685 580 A 25 GLN H A 23 ILE HA 1.0 . 5.21 686 581 A 26 LEU H A 23 ILE HA 1.0 . 5.38 687 582 A 23 ILE HD1% A 27 PHE HE% 1.0 . 4.18 688 583 A 23 ILE HG2% A 24 LEU HBx 1.0 . 4.73 689 583 A 24 LEU HBy A 23 ILE HG2% 1.0 . 4.73 690 584 A 23 ILE H A 23 ILE HG1x 1.0 . 4.23 691 585 A 20 GLU HA A 23 ILE HG1x 1.0 . 5.13 692 586 A 24 LEU H A 24 LEU HG 1.0 . 4.20 693 587 A 26 LEU HG A 25 GLN HBx 1.0 . 5.29 694 587 A 25 GLN HBy A 26 LEU HG 1.0 . 5.29 695 588 A 87 GLN H A 87 GLN HGx 1.0 . 4.36 696 588 A 87 GLN H A 87 GLN HGy 1.0 . 4.36 697 589 A 88 LYS H A 87 GLN HGx 1.0 . 4.80 698 589 A 87 GLN HGy A 88 LYS H 1.0 . 4.80 699 590 A 25 GLN H A 25 GLN HGx 1.0 . 4.65 700 590 A 25 GLN H A 25 GLN HGy 1.0 . 4.65 701 591 A 26 LEU H A 25 GLN HGx 1.0 . 4.82 702 591 A 26 LEU H A 25 GLN HGy 1.0 . 4.82 703 592 A 29 GLN H A 25 GLN HGx 1.0 . 4.45 704 592 A 29 GLN H A 25 GLN HGy 1.0 . 4.45 705 593 A 29 GLN H A 26 LEU HA 1.0 . 4.76 706 594 A 26 LEU HG A 26 LEU HA 1.0 . 4.16 707 595 A 26 LEU HG A 23 ILE HA 1.0 . 4.33 708 596 A 30 ILE HD1% A 27 PHE HA 1.0 . 4.58 709 597 A 29 GLN H A 27 PHE HA 1.0 . 4.90 710 598 A 27 PHE HA A 53 PHE HE% 1.0 . 5.16 711 599 A 27 PHE H A 27 PHE HBx 1.0 . 4.09 712 600 A 53 PHE HE% A 27 PHE HBy 1.0 . 4.45 713 601 A 53 PHE HE% A 27 PHE HBx 1.0 . 4.45 714 602 A 30 ILE H A 28 SER HA 1.0 . 4.85 715 603 A 29 GLN HA A 29 GLN HGx 1.0 . 4.22 716 603 A 29 GLN HA A 29 GLN HGy 1.0 . 4.22 717 604 A 29 GLN H A 29 GLN HGx 1.0 . 4.03 718 604 A 29 GLN H A 29 GLN HGy 1.0 . 4.03 719 605 A 30 ILE H A 30 ILE HG1x 1.0 . 4.61 720 606 A 62 ALA HA A 30 ILE HG1x 1.0 . 4.19 721 607 A 30 ILE HD1% A 30 ILE HB 1.0 . 3.98 722 608 A 30 ILE HD1% A 30 ILE HG2% 1.0 . 2.96 723 609 A 34 LYS HDy A 34 LYS HBy 1.0 . 4.07 724 609 A 34 LYS HBy A 34 LYS HDx 1.0 . 4.07 725 610 A 35 ASN H A 34 LYS HGx 1.0 . 4.71 726 610 A 35 ASN H A 34 LYS HGy 1.0 . 4.71 727 611 A 35 ASN HBy A 52 GLU HBx 1.0 . 5.15 728 611 A 35 ASN HBx A 52 GLU HBx 1.0 . 5.15 729 611 A 52 GLU HBy A 35 ASN HBx 1.0 . 5.15 730 611 A 52 GLU HBy A 35 ASN HBy 1.0 . 5.15 731 612 A 24 LEU HBy A 36 CYS HBx 1.0 . 5.11 732 612 A 24 LEU HBx A 36 CYS HBx 1.0 . 5.11 733 612 A 36 CYS HBy A 24 LEU HBx 1.0 . 5.11 734 612 A 24 LEU HBy A 36 CYS HBy 1.0 . 5.11 735 613 A 37 LYS HBy A 36 CYS HBx 1.0 . 5.50 736 613 A 36 CYS HBy A 37 LYS HBy 1.0 . 5.50 737 614 A 24 LEU HG A 36 CYS HBx 1.0 . 4.59 738 614 A 36 CYS HBy A 24 LEU HG 1.0 . 4.59 739 615 A 37 LYS HBy A 50 PHE HBy 1.0 . 4.64 740 616 A 37 LYS H A 37 LYS HBx 1.0 . 4.20 741 617 A 39 ILE HD1% A 37 LYS HDx 1.0 . 4.64 742 617 A 37 LYS HDy A 39 ILE HD1% 1.0 . 4.64 743 618 A 38 MET H A 38 MET HBx 1.0 . 4.20 744 619 A 14 LEU HG A 49 CYS HBy 1.0 . 4.26 745 620 A 14 LEU HG A 49 CYS HBx 1.0 . 4.26 746 621 A 39 ILE HB A 48 TYR HE% 1.0 . 5.06 747 622 A 39 ILE HB A 48 TYR H 1.0 . 4.71 748 623 A 39 ILE H A 39 ILE HG1y 1.0 . 4.57 749 624 A 39 ILE HG2% A 41 ASP HA 1.0 . 5.50 750 625 A 39 ILE HG2% A 47 PRO HA 1.0 . 5.50 751 626 A 39 ILE HG2% A 40 MET HA 1.0 . 4.55 752 627 A 23 ILE HG2% A 23 ILE HG1y 1.0 . 4.02 753 628 A 37 LYS HBx A 39 ILE HD1% 1.0 . 4.21 754 629 A 39 ILE HD1% A 48 TYR HE% 1.0 . 4.01 755 630 A 39 ILE HD1% A 50 PHE HE% 1.0 . 4.03 756 631 A 39 ILE HD1% A 50 PHE HD% 1.0 . 4.01 757 632 A 40 MET H A 39 ILE HD1% 1.0 . 4.88 758 633 A 50 PHE H A 39 ILE HD1% 1.0 . 4.51 759 634 A 39 ILE H A 39 ILE HD1% 1.0 . 4.24 760 635 A 50 PHE H A 49 CYS HBy 1.0 . 4.11 761 636 A 50 PHE HBy A 37 LYS HBx 1.0 . 4.35 762 637 A 50 PHE HBx A 51 VAL HA 1.0 . 4.59 763 638 A 41 ASP HA A 42 THR HA 1.0 . 4.84 764 639 A 42 THR H A 42 THR HB 1.0 . 4.20 765 640 A 43 ALA H A 42 THR HB 1.0 . 4.80 766 641 A 47 PRO HBy A 14 LEU HG 1.0 . 4.73 767 642 A 49 CYS H A 48 TYR HBy 1.0 . 4.17 768 643 A 49 CYS HA A 14 LEU HDx% 1.0 . 5.47 769 643 A 14 LEU HDy% A 49 CYS HA 1.0 . 5.47 770 644 A 39 ILE HB A 49 CYS HA 1.0 . 5.50 771 645 A 39 ILE HD1% A 49 CYS HA 1.0 . 5.50 772 646 A 51 VAL HA A 52 GLU HBx 1.0 . 4.72 773 646 A 52 GLU HBy A 51 VAL HA 1.0 . 4.72 774 647 A 8 THR HG2% A 52 GLU HA 1.0 . 4.34 775 648 A 9 LEU H A 52 GLU HA 1.0 . 4.72 776 649 A 59 ALA HB% A 53 PHE HBx 1.0 . 4.31 777 649 A 59 ALA HB% A 53 PHE HBy 1.0 . 4.31 778 650 A 55 GLU H A 54 HIS HBy 1.0 . 4.83 779 651 A 55 GLU HGy A 54 HIS HBx 1.0 . 4.84 780 651 A 54 HIS HBx A 55 GLU HGx 1.0 . 4.84 781 652 A 55 GLU H A 55 GLU HGx 1.0 . 4.20 782 652 A 55 GLU H A 55 GLU HGy 1.0 . 4.20 783 653 A 56 HIS HA A 7 LYS HGx 1.0 . 4.32 784 653 A 7 LYS HGy A 56 HIS HA 1.0 . 4.32 785 654 A 7 LYS HGx A 56 HIS HBx 1.0 . 5.28 786 654 A 7 LYS HGy A 56 HIS HBx 1.0 . 5.28 787 655 A 7 LYS HGy A 56 HIS HBy 1.0 . 5.28 788 655 A 56 HIS HBy A 7 LYS HGx 1.0 . 5.28 789 656 A 7 LYS HA A 56 HIS HBx 1.0 . 5.33 790 657 A 7 LYS HA A 56 HIS HBy 1.0 . 5.33 791 658 A 57 ARG HA A 57 ARG HDx 1.0 . 4.86 792 658 A 57 ARG HDy A 57 ARG HA 1.0 . 4.86 793 659 A 58 HIS H A 57 ARG HBx 1.0 . 4.93 794 659 A 57 ARG HBy A 58 HIS H 1.0 . 4.93 795 660 A 57 ARG HBy A 57 ARG HDx 1.0 . 3.59 796 660 A 57 ARG HBx A 57 ARG HDx 1.0 . 3.59 797 660 A 57 ARG HDy A 57 ARG HBx 1.0 . 3.59 798 660 A 57 ARG HBy A 57 ARG HDy 1.0 . 3.59 799 661 A 61 ALA H A 58 HIS HA 1.0 . 4.62 800 662 A 53 PHE HD% A 58 HIS HBx 1.0 . 5.50 801 663 A 53 PHE HD% A 58 HIS HBy 1.0 . 5.50 802 664 A 59 ALA HA A 9 LEU HG 1.0 . 4.85 803 665 A 30 ILE HG2% A 59 ALA HA 1.0 . 4.99 804 666 A 59 ALA HA A 53 PHE HD% 1.0 . 4.51 805 667 A 59 ALA HA A 53 PHE HE% 1.0 . 4.61 806 668 A 59 ALA HB% A 63 LEU H 1.0 . 5.40 807 669 A 63 LEU H A 60 ALA HB% 1.0 . 4.88 808 670 A 60 ALA HB% A 61 ALA HA 1.0 . 4.61 809 671 A 30 ILE HG2% A 60 ALA HB% 1.0 . 5.12 810 672 A 30 ILE HD1% A 61 ALA HB% 1.0 . 4.41 811 673 A 62 ALA HB% A 62 ALA H 1.0 . 3.15 812 674 A 62 ALA HB% A 53 PHE HE% 1.0 . 3.38 813 675 A 62 ALA HB% A 27 PHE HE% 1.0 . 3.84 814 676 A 30 ILE HB A 62 ALA HB% 1.0 . 4.11 815 677 A 9 LEU HG A 63 LEU HA 1.0 . 4.44 816 678 A 63 LEU HA A 63 LEU HG 1.0 . 4.04 817 679 A 78 VAL HB A 63 LEU HA 1.0 . 4.63 818 680 A 79 ASN HA A 63 LEU HG 1.0 . 4.64 819 681 A 63 LEU HA A 63 LEU HDx% 1.0 . 4.60 820 682 A 79 ASN HA A 63 LEU HDx% 1.0 . 4.33 821 683 A 78 VAL HB A 63 LEU HDy% 1.0 . 4.58 822 684 A 78 VAL HB A 63 LEU HDx% 1.0 . 4.58 823 685 A 63 LEU H A 61 ALA HA 1.0 . 4.98 824 686 A 65 ALA HB% A 66 MET HA 1.0 . 4.64 825 687 A 9 LEU HA A 81 ALA HB% 1.0 . 4.39 826 688 A 81 ALA HB% A 10 TYR HA 1.0 . 4.51 827 689 A 80 TRP HA A 81 ALA HB% 1.0 . 4.99 828 690 A 69 ARG H A 67 ASN HA 1.0 . 4.57 829 691 A 78 VAL HB A 67 ASN HBx 1.0 . 4.30 830 692 A 78 VAL HGy% A 67 ASN HBx 1.0 . 4.90 831 693 A 66 MET HA A 69 ARG HBx 1.0 . 4.38 832 693 A 69 ARG HBy A 66 MET HA 1.0 . 4.38 833 694 A 70 LYS H A 69 ARG HBx 1.0 . 4.64 834 694 A 69 ARG HBy A 70 LYS H 1.0 . 4.64 835 695 A 70 LYS H A 69 ARG HDx 1.0 . 4.80 836 695 A 70 LYS H A 69 ARG HDy 1.0 . 4.80 837 696 A 7 LYS HA A 7 LYS HEx 1.0 . 4.55 838 696 A 7 LYS HEy A 7 LYS HA 1.0 . 4.55 839 697 A 66 MET HA A 69 ARG HDx 1.0 . 4.29 840 697 A 69 ARG HDy A 66 MET HA 1.0 . 4.29 841 698 A 69 ARG HA A 69 ARG HDx 1.0 . 3.99 842 698 A 69 ARG HA A 69 ARG HDy 1.0 . 3.99 843 699 A 70 LYS H A 70 LYS HBx 1.0 . 4.14 844 700 A 71 ILE HA A 70 LYS HGx 1.0 . 4.66 845 700 A 70 LYS HGy A 71 ILE HA 1.0 . 4.66 846 701 A 71 ILE H A 71 ILE HG2% 1.0 . 4.48 847 702 A 76 VAL HB A 71 ILE HD1% 1.0 . 4.38 848 703 A 71 ILE HA A 71 ILE HD1% 1.0 . 4.10 849 704 A 71 ILE H A 71 ILE HD1% 1.0 . 4.44 850 705 A 71 ILE HG2% A 72 MET HA 1.0 . 4.70 851 706 A 74 LYS HA A 75 GLU HA 1.0 . 4.37 852 707 A 75 GLU HA A 75 GLU HGx 1.0 . 3.77 853 707 A 75 GLU HA A 75 GLU HGy 1.0 . 3.77 854 708 A 75 GLU H A 75 GLU HGx 1.0 . 4.40 855 708 A 75 GLU H A 75 GLU HGy 1.0 . 4.40 856 709 A 76 VAL H A 75 GLU HGx 1.0 . 4.84 857 709 A 76 VAL H A 75 GLU HGy 1.0 . 4.84 858 710 A 14 LEU HA A 18 VAL HGy% 1.0 . 5.19 859 711 A 11 VAL HGy% A 77 LYS HA 1.0 . 5.50 860 712 A 12 GLY H A 77 LYS HBx 1.0 . 4.80 861 713 A 78 VAL HB A 67 ASN HA 1.0 . 4.41 862 714 A 78 VAL HB A 67 ASN HBy 1.0 . 4.30 863 715 A 78 VAL HGy% A 79 ASN H 1.0 . 4.76 864 716 A 78 VAL HGy% A 77 LYS H 1.0 . 4.65 865 717 A 78 VAL HGy% A 77 LYS HA 1.0 . 5.18 866 718 A 76 VAL HGy% A 77 LYS HA 1.0 . 4.63 867 719 A 78 VAL HGy% A 67 ASN HBy 1.0 . 4.90 868 720 A 80 TRP H A 79 ASN HBy 1.0 . 3.90 869 721 A 10 TYR H A 81 ALA HB% 1.0 . 4.49 870 722 A 83 THR HB A 84 PRO HDx 1.0 . 5.28 871 723 A 83 THR HB A 84 PRO HDy 1.0 . 5.28 872 724 A 72 MET HGy A 18 VAL HGy% 1.0 . 4.68 873 724 A 18 VAL HGy% A 72 MET HGx 1.0 . 4.68 874 725 A 7 LYS HA A 56 HIS HE1 1.0 . 4.60 875 726 A 56 HIS HE1 A 6 PRO HDx 1.0 . 4.44 876 727 A 80 TRP HD1 A 80 TRP HBx 1.0 . 3.83 877 728 A 80 TRP HD1 A 80 TRP HBy 1.0 . 3.83 878 729 A 80 TRP H A 80 TRP HD1 1.0 . 3.53 879 730 A 80 TRP HD1 A 63 LEU HDy% 1.0 . 4.33 880 731 A 62 ALA HB% A 27 PHE HD% 1.0 . 3.58 881 732 A 27 PHE H A 27 PHE HD% 1.0 . 3.93 882 733 A 51 VAL H A 50 PHE HD% 1.0 . 4.33 883 734 A 58 HIS HE1 A 55 GLU HGx 1.0 . 4.74 884 734 A 55 GLU HGy A 58 HIS HE1 1.0 . 4.74 885 735 A 54 HIS HE1 A 34 LYS HGx 1.0 . 3.69 886 735 A 34 LYS HGy A 54 HIS HE1 1.0 . 3.69 887 736 A 54 HIS HE1 A 34 LYS HDx 1.0 . 3.98 888 736 A 34 LYS HDy A 54 HIS HE1 1.0 . 3.98 889 737 A 10 TYR HD% A 10 TYR HA 1.0 . 3.97 890 738 A 11 VAL HA A 10 TYR HD% 1.0 . 4.36 891 739 A 79 ASN H A 10 TYR HD% 1.0 . 4.56 892 740 A 10 TYR H A 10 TYR HD% 1.0 . 4.34 893 741 A 10 TYR HD% A 50 PHE HD% 1.0 . 4.13 894 742 A 27 PHE HA A 27 PHE HD% 1.0 . 4.05 895 743 A 27 PHE HD% A 23 ILE HA 1.0 . 4.34 896 744 A 80 TRP HA A 80 TRP HD1 1.0 . 4.57 897 745 A 57 ARG HA A 56 HIS HD2 1.0 . 4.34 898 746 A 56 HIS HD2 A 57 ARG HBx 1.0 . 4.91 899 746 A 57 ARG HBy A 56 HIS HD2 1.0 . 4.91 900 747 A 56 HIS HE1 A 6 PRO HDy 1.0 . 4.44 901 748 A 58 HIS HA A 58 HIS HD2 1.0 . 3.23 902 749 A 61 ALA HB% A 58 HIS HD2 1.0 . 4.28 903 750 A 30 ILE HG2% A 58 HIS HD2 1.0 . 3.93 904 751 A 10 TYR HE% A 48 TYR HBy 1.0 . 4.10 905 752 A 10 TYR HE% A 48 TYR HBx 1.0 . 4.10 906 753 A 81 ALA HB% A 10 TYR HE% 1.0 . 4.71 907 754 A 12 GLY H A 10 TYR HE% 1.0 . 4.59 908 755 A 39 ILE HG2% A 48 TYR HE% 1.0 . 3.49 909 756 A 47 PRO HA A 48 TYR HE% 1.0 . 4.31 910 757 A 54 HIS HD2 A 32 PRO HBx 1.0 . 4.09 911 758 A 54 HIS HD2 A 32 PRO HBy 1.0 . 4.09 912 759 A 33 CYS HA A 54 HIS HD2 1.0 . 4.97 913 760 A 54 HIS HD2 A 54 HIS HA 1.0 . 5.20 914 761 A 33 CYS H A 54 HIS HD2 1.0 . 4.49 915 762 A 50 PHE HA A 50 PHE HE% 1.0 . 4.47 916 763 A 53 PHE H A 53 PHE HD% 1.0 . 4.06 917 764 A 53 PHE HA A 53 PHE HD% 1.0 . 4.41 918 765 A 31 GLY HAx A 53 PHE HD% 1.0 . 3.77 919 766 A 50 PHE HD% A 48 TYR HE% 1.0 . 5.29 920 767 A 50 PHE HD% A 48 TYR HD% 1.0 . 4.05 921 768 A 48 TYR H A 48 TYR HD% 1.0 . 3.89 922 769 A 49 CYS H A 48 TYR HD% 1.0 . 4.23 923 770 A 48 TYR HA A 48 TYR HD% 1.0 . 4.27 924 771 A 47 PRO HA A 48 TYR HD% 1.0 . 4.08 925 772 A 39 ILE HB A 48 TYR HD% 1.0 . 4.10 926 773 A 39 ILE HG2% A 48 TYR HD% 1.0 . 4.58 927 774 A 54 HIS H A 54 HIS HD2 1.0 . 4.26 928 775 A 10 TYR HD% A 81 ALA HB% 1.0 . 4.37 929 776 A 2 GLU H A 2 GLU HGx 1.0 . 4.10 930 776 A 2 GLU H A 2 GLU HGy 1.0 . 4.10 931 777 A 2 GLU HA A 2 GLU HGx 1.0 . 3.53 932 777 A 2 GLU HGy A 2 GLU HA 1.0 . 3.53 933 778 A 3 ASP H A 2 GLU HBy 1.0 . 3.91 934 778 A 3 ASP H A 2 GLU HBx 1.0 . 3.91 935 779 A 3 ASP H A 2 GLU HGx 1.0 . 4.57 936 779 A 3 ASP H A 2 GLU HGy 1.0 . 4.57 937 780 A 4 GLU H A 4 GLU HBy 1.0 . 3.47 938 780 A 4 GLU H A 4 GLU HBx 1.0 . 3.47 939 781 A 5 MET H A 5 MET HGx 1.0 . 3.48 940 781 A 5 MET H A 5 MET HGy 1.0 . 3.48 941 782 A 5 MET HA A 6 PRO HDx 1.0 . 3.13 942 782 A 5 MET HA A 6 PRO HDy 1.0 . 3.13 943 783 A 7 LYS H A 6 PRO HBy 1.0 . 4.06 944 783 A 7 LYS H A 6 PRO HBx 1.0 . 4.06 945 784 A 56 HIS HE1 A 6 PRO HBy 1.0 . 4.56 946 784 A 56 HIS HE1 A 6 PRO HBx 1.0 . 4.56 947 785 A 56 HIS HE1 A 6 PRO HGy 1.0 . 4.00 948 785 A 56 HIS HE1 A 6 PRO HGx 1.0 . 4.00 949 786 A 82 THR HG2% A 6 PRO HGy 1.0 . 3.18 950 786 A 82 THR HG2% A 6 PRO HGx 1.0 . 3.18 951 787 A 56 HIS HE1 A 6 PRO HDx 1.0 . 3.66 952 787 A 56 HIS HE1 A 6 PRO HDy 1.0 . 3.66 953 788 A 82 THR HG2% A 6 PRO HDx 1.0 . 3.80 954 788 A 82 THR HG2% A 6 PRO HDy 1.0 . 3.80 955 789 A 7 LYS HA A 56 HIS HBx 1.0 . 4.56 956 789 A 7 LYS HA A 56 HIS HBy 1.0 . 4.56 957 790 A 7 LYS HGx A 56 HIS HBx 1.0 . 4.55 958 790 A 56 HIS HBy A 7 LYS HGx 1.0 . 4.55 959 790 A 7 LYS HGy A 56 HIS HBy 1.0 . 4.55 960 790 A 7 LYS HGy A 56 HIS HBx 1.0 . 4.55 961 791 A 9 LEU H A 9 LEU HBx 1.0 . 3.41 962 791 A 9 LEU H A 9 LEU HBy 1.0 . 3.41 963 792 A 9 LEU H A 9 LEU HDy% 1.0 . 4.76 964 792 A 9 LEU H A 9 LEU HDx% 1.0 . 4.76 965 793 A 9 LEU HA A 9 LEU HDy% 1.0 . 3.43 966 793 A 9 LEU HA A 9 LEU HDx% 1.0 . 3.43 967 794 A 10 TYR H A 9 LEU HBx 1.0 . 3.83 968 794 A 10 TYR H A 9 LEU HBy 1.0 . 3.83 969 795 A 11 VAL HGy% A 9 LEU HBx 1.0 . 3.54 970 795 A 11 VAL HGy% A 9 LEU HBy 1.0 . 3.54 971 796 A 78 VAL HGx% A 9 LEU HBx 1.0 . 4.05 972 796 A 78 VAL HGx% A 9 LEU HBy 1.0 . 4.05 973 797 A 9 LEU HG A 63 LEU HDy% 1.0 . 4.35 974 797 A 9 LEU HG A 63 LEU HDx% 1.0 . 4.35 975 798 A 10 TYR H A 9 LEU HDy% 1.0 . 4.34 976 798 A 10 TYR H A 9 LEU HDx% 1.0 . 4.34 977 799 A 59 ALA HA A 9 LEU HDy% 1.0 . 4.60 978 799 A 59 ALA HA A 9 LEU HDx% 1.0 . 4.60 979 800 A 59 ALA HB% A 9 LEU HDy% 1.0 . 3.90 980 800 A 59 ALA HB% A 9 LEU HDx% 1.0 . 3.90 981 801 A 63 LEU H A 9 LEU HDy% 1.0 . 4.50 982 801 A 63 LEU H A 9 LEU HDx% 1.0 . 4.50 983 802 A 63 LEU HA A 9 LEU HDy% 1.0 . 4.62 984 802 A 63 LEU HA A 9 LEU HDx% 1.0 . 4.62 985 803 A 78 VAL HGx% A 9 LEU HDy% 1.0 . 3.64 986 803 A 78 VAL HGx% A 9 LEU HDx% 1.0 . 3.64 987 804 A 80 TRP HA A 9 LEU HDy% 1.0 . 3.50 988 804 A 80 TRP HA A 9 LEU HDx% 1.0 . 3.50 989 805 A 81 ALA H A 9 LEU HDy% 1.0 . 4.33 990 805 A 81 ALA H A 9 LEU HDx% 1.0 . 4.33 991 806 A 10 TYR H A 10 TYR HBx 1.0 . 3.55 992 806 A 10 TYR H A 10 TYR HBy 1.0 . 3.55 993 807 A 11 VAL H A 10 TYR HBx 1.0 . 3.96 994 807 A 11 VAL H A 10 TYR HBy 1.0 . 3.96 995 808 A 50 PHE HE% A 10 TYR HBx 1.0 . 3.81 996 808 A 50 PHE HE% A 10 TYR HBy 1.0 . 3.81 997 809 A 81 ALA HA A 10 TYR HBx 1.0 . 4.17 998 809 A 81 ALA HA A 10 TYR HBy 1.0 . 4.17 999 810 A 81 ALA HB% A 10 TYR HBx 1.0 . 3.66 1000 810 A 81 ALA HB% A 10 TYR HBy 1.0 . 3.66 1001 811 A 10 TYR HE% A 12 GLY HAy 1.0 . 3.80 1002 811 A 10 TYR HE% A 12 GLY HAx 1.0 . 3.80 1003 812 A 10 TYR HE% A 48 TYR HBx 1.0 . 3.56 1004 812 A 10 TYR HE% A 48 TYR HBy 1.0 . 3.56 1005 813 A 11 VAL HGy% A 51 VAL HGx% 1.0 . 3.27 1006 813 A 11 VAL HGy% A 51 VAL HGy% 1.0 . 3.27 1007 814 A 14 LEU H A 12 GLY HAy 1.0 . 4.40 1008 814 A 14 LEU H A 12 GLY HAx 1.0 . 4.40 1009 815 A 14 LEU HG A 12 GLY HAy 1.0 . 4.78 1010 815 A 14 LEU HG A 12 GLY HAx 1.0 . 4.78 1011 816 A 12 GLY HAy A 48 TYR HBx 1.0 . 4.13 1012 816 A 12 GLY HAx A 48 TYR HBx 1.0 . 4.13 1013 816 A 48 TYR HBy A 12 GLY HAy 1.0 . 4.13 1014 816 A 12 GLY HAx A 48 TYR HBy 1.0 . 4.13 1015 817 A 49 CYS H A 12 GLY HAy 1.0 . 4.47 1016 817 A 49 CYS H A 12 GLY HAx 1.0 . 4.47 1017 818 A 13 ASN H A 48 TYR HBx 1.0 . 4.72 1018 818 A 13 ASN H A 48 TYR HBy 1.0 . 4.72 1019 819 A 13 ASN HBy A 14 LEU HDx% 1.0 . 5.11 1020 819 A 13 ASN HBx A 14 LEU HDx% 1.0 . 5.11 1021 819 A 14 LEU HDy% A 13 ASN HBy 1.0 . 5.11 1022 819 A 14 LEU HDy% A 13 ASN HBx 1.0 . 5.11 1023 820 A 76 VAL HA A 13 ASN HBy 1.0 . 3.68 1024 820 A 76 VAL HA A 13 ASN HBx 1.0 . 3.68 1025 821 A 77 LYS H A 13 ASN HBy 1.0 . 3.91 1026 821 A 77 LYS H A 13 ASN HBx 1.0 . 3.91 1027 822 A 14 LEU HA A 18 VAL HGx% 1.0 . 4.08 1028 822 A 14 LEU HA A 18 VAL HGy% 1.0 . 4.08 1029 823 A 14 LEU HG A 18 VAL HGx% 1.0 . 4.22 1030 823 A 14 LEU HG A 18 VAL HGy% 1.0 . 4.22 1031 824 A 14 LEU HG A 49 CYS HBx 1.0 . 3.74 1032 824 A 14 LEU HG A 49 CYS HBy 1.0 . 3.74 1033 825 A 15 SER H A 15 SER HBx 1.0 . 3.32 1034 825 A 15 SER H A 15 SER HBy 1.0 . 3.32 1035 826 A 15 SER H A 18 VAL HGx% 1.0 . 3.75 1036 826 A 15 SER H A 18 VAL HGy% 1.0 . 3.75 1037 827 A 16 ARG H A 15 SER HBx 1.0 . 3.85 1038 827 A 16 ARG H A 15 SER HBy 1.0 . 3.85 1039 828 A 15 SER HBy A 16 ARG HDx 1.0 . 4.58 1040 828 A 15 SER HBx A 16 ARG HDx 1.0 . 4.58 1041 828 A 16 ARG HDy A 15 SER HBx 1.0 . 4.58 1042 828 A 16 ARG HDy A 15 SER HBy 1.0 . 4.58 1043 829 A 17 ASP H A 15 SER HBx 1.0 . 4.15 1044 829 A 17 ASP H A 15 SER HBy 1.0 . 4.15 1045 830 A 18 VAL H A 15 SER HBx 1.0 . 3.88 1046 830 A 18 VAL H A 15 SER HBy 1.0 . 3.88 1047 831 A 15 SER HBy A 18 VAL HGx% 1.0 . 3.50 1048 831 A 15 SER HBx A 18 VAL HGx% 1.0 . 3.50 1049 831 A 18 VAL HGy% A 15 SER HBx 1.0 . 3.50 1050 831 A 18 VAL HGy% A 15 SER HBy 1.0 . 3.50 1051 832 A 15 SER HBy A 72 MET HBx 1.0 . 3.69 1052 832 A 15 SER HBx A 72 MET HBx 1.0 . 3.69 1053 832 A 72 MET HBy A 15 SER HBx 1.0 . 3.69 1054 832 A 15 SER HBy A 72 MET HBy 1.0 . 3.69 1055 833 A 15 SER HBy A 74 LYS HBy 1.0 . 4.33 1056 833 A 74 LYS HBx A 15 SER HBx 1.0 . 4.33 1057 833 A 15 SER HBy A 74 LYS HBx 1.0 . 4.33 1058 833 A 15 SER HBx A 74 LYS HBy 1.0 . 4.33 1059 834 A 15 SER HBy A 74 LYS HGx 1.0 . 4.33 1060 834 A 15 SER HBx A 74 LYS HGx 1.0 . 4.33 1061 834 A 74 LYS HGy A 15 SER HBx 1.0 . 4.33 1062 834 A 74 LYS HGy A 15 SER HBy 1.0 . 4.33 1063 835 A 16 ARG H A 16 ARG HBy 1.0 . 3.10 1064 835 A 16 ARG H A 16 ARG HBx 1.0 . 3.10 1065 836 A 16 ARG HBx A 16 ARG HDx 1.0 . 3.66 1066 836 A 16 ARG HDy A 16 ARG HBy 1.0 . 3.66 1067 836 A 16 ARG HDy A 16 ARG HBx 1.0 . 3.66 1068 836 A 16 ARG HBy A 16 ARG HDx 1.0 . 3.66 1069 837 A 17 ASP H A 16 ARG HBy 1.0 . 4.13 1070 837 A 17 ASP H A 16 ARG HBx 1.0 . 4.13 1071 838 A 17 ASP HA A 16 ARG HBy 1.0 . 4.96 1072 838 A 16 ARG HBx A 17 ASP HA 1.0 . 4.96 1073 839 A 17 ASP H A 17 ASP HBx 1.0 . 3.43 1074 839 A 17 ASP H A 17 ASP HBy 1.0 . 3.43 1075 840 A 17 ASP H A 18 VAL HGx% 1.0 . 4.54 1076 840 A 17 ASP H A 18 VAL HGy% 1.0 . 4.54 1077 841 A 18 VAL H A 18 VAL HGx% 1.0 . 3.23 1078 841 A 18 VAL H A 18 VAL HGy% 1.0 . 3.23 1079 842 A 19 THR H A 18 VAL HGx% 1.0 . 3.61 1080 842 A 19 THR H A 18 VAL HGy% 1.0 . 3.61 1081 843 A 19 THR HG2% A 18 VAL HGx% 1.0 . 4.05 1082 843 A 19 THR HG2% A 18 VAL HGy% 1.0 . 4.05 1083 844 A 18 VAL HGy% A 22 LEU HBx 1.0 . 3.76 1084 844 A 18 VAL HGx% A 22 LEU HBx 1.0 . 3.76 1085 844 A 22 LEU HBy A 18 VAL HGx% 1.0 . 3.76 1086 844 A 18 VAL HGy% A 22 LEU HBy 1.0 . 3.76 1087 845 A 23 ILE H A 18 VAL HGx% 1.0 . 3.71 1088 845 A 23 ILE H A 18 VAL HGy% 1.0 . 3.71 1089 846 A 23 ILE HG2% A 18 VAL HGx% 1.0 . 4.11 1090 846 A 23 ILE HG2% A 18 VAL HGy% 1.0 . 4.11 1091 847 A 18 VAL HGy% A 23 ILE HG1x 1.0 . 3.01 1092 847 A 18 VAL HGx% A 23 ILE HG1x 1.0 . 3.01 1093 847 A 23 ILE HG1y A 18 VAL HGx% 1.0 . 3.01 1094 847 A 18 VAL HGy% A 23 ILE HG1y 1.0 . 3.01 1095 848 A 23 ILE HD1% A 18 VAL HGx% 1.0 . 3.09 1096 848 A 23 ILE HD1% A 18 VAL HGy% 1.0 . 3.09 1097 849 A 71 ILE HB A 18 VAL HGx% 1.0 . 4.87 1098 849 A 71 ILE HB A 18 VAL HGy% 1.0 . 4.87 1099 850 A 18 VAL HGy% A 72 MET HBx 1.0 . 4.09 1100 850 A 18 VAL HGx% A 72 MET HBx 1.0 . 4.09 1101 850 A 72 MET HBy A 18 VAL HGx% 1.0 . 4.09 1102 850 A 18 VAL HGy% A 72 MET HBy 1.0 . 4.09 1103 851 A 18 VAL HGy% A 72 MET HGx 1.0 . 3.46 1104 851 A 18 VAL HGx% A 72 MET HGx 1.0 . 3.46 1105 851 A 72 MET HGy A 18 VAL HGx% 1.0 . 3.46 1106 851 A 72 MET HGy A 18 VAL HGy% 1.0 . 3.46 1107 852 A 19 THR H A 22 LEU HBx 1.0 . 3.54 1108 852 A 19 THR H A 22 LEU HBy 1.0 . 3.54 1109 853 A 19 THR HG2% A 22 LEU HBx 1.0 . 3.42 1110 853 A 19 THR HG2% A 22 LEU HBy 1.0 . 3.42 1111 854 A 20 GLU H A 20 GLU HBx 1.0 . 3.12 1112 854 A 20 GLU H A 20 GLU HBy 1.0 . 3.12 1113 855 A 20 GLU HA A 23 ILE HG1x 1.0 . 4.40 1114 855 A 20 GLU HA A 23 ILE HG1y 1.0 . 4.40 1115 856 A 21 ALA H A 20 GLU HBx 1.0 . 3.41 1116 856 A 21 ALA H A 20 GLU HBy 1.0 . 3.41 1117 857 A 20 GLU HGx A 24 LEU HDy% 1.0 . 3.95 1118 857 A 24 LEU HDx% A 20 GLU HGx 1.0 . 3.95 1119 857 A 20 GLU HGy A 24 LEU HDx% 1.0 . 3.95 1120 857 A 20 GLU HGy A 24 LEU HDy% 1.0 . 3.95 1121 858 A 21 ALA H A 22 LEU HBx 1.0 . 5.34 1122 858 A 21 ALA H A 22 LEU HBy 1.0 . 5.34 1123 859 A 21 ALA HA A 24 LEU HDy% 1.0 . 4.26 1124 859 A 21 ALA HA A 24 LEU HDx% 1.0 . 4.26 1125 860 A 22 LEU H A 22 LEU HBx 1.0 . 3.51 1126 860 A 22 LEU H A 22 LEU HBy 1.0 . 3.51 1127 861 A 23 ILE H A 22 LEU HBx 1.0 . 3.16 1128 861 A 23 ILE H A 22 LEU HBy 1.0 . 3.16 1129 862 A 23 ILE HD1% A 22 LEU HBx 1.0 . 3.96 1130 862 A 23 ILE HD1% A 22 LEU HBy 1.0 . 3.96 1131 863 A 23 ILE H A 23 ILE HG1x 1.0 . 3.61 1132 863 A 23 ILE H A 23 ILE HG1y 1.0 . 3.61 1133 864 A 23 ILE HA A 26 LEU HBx 1.0 . 4.00 1134 864 A 23 ILE HA A 26 LEU HBy 1.0 . 4.00 1135 865 A 23 ILE HG2% A 23 ILE HG1x 1.0 . 3.24 1136 865 A 23 ILE HG2% A 23 ILE HG1y 1.0 . 3.24 1137 866 A 23 ILE HG2% A 24 LEU HDy% 1.0 . 3.46 1138 866 A 23 ILE HG2% A 24 LEU HDx% 1.0 . 3.46 1139 867 A 23 ILE HG2% A 51 VAL HGx% 1.0 . 3.31 1140 867 A 23 ILE HG2% A 51 VAL HGy% 1.0 . 3.31 1141 868 A 23 ILE HG1y A 24 LEU HDy% 1.0 . 4.74 1142 868 A 23 ILE HG1x A 24 LEU HDy% 1.0 . 4.74 1143 868 A 24 LEU HDx% A 23 ILE HG1x 1.0 . 4.74 1144 868 A 23 ILE HG1y A 24 LEU HDx% 1.0 . 4.74 1145 869 A 24 LEU H A 24 LEU HDy% 1.0 . 3.75 1146 869 A 24 LEU H A 24 LEU HDx% 1.0 . 3.75 1147 870 A 24 LEU HA A 24 LEU HDy% 1.0 . 3.13 1148 870 A 24 LEU HA A 24 LEU HDx% 1.0 . 3.13 1149 871 A 25 GLN H A 24 LEU HDy% 1.0 . 4.35 1150 871 A 25 GLN H A 24 LEU HDx% 1.0 . 4.35 1151 872 A 24 LEU HDx% A 33 CYS HBx 1.0 . 3.35 1152 872 A 33 CYS HBy A 24 LEU HDy% 1.0 . 3.35 1153 872 A 24 LEU HDx% A 33 CYS HBy 1.0 . 3.35 1154 872 A 24 LEU HDy% A 33 CYS HBx 1.0 . 3.35 1155 873 A 35 ASN HA A 24 LEU HDy% 1.0 . 4.85 1156 873 A 35 ASN HA A 24 LEU HDx% 1.0 . 4.85 1157 874 A 36 CYS H A 24 LEU HDy% 1.0 . 4.51 1158 874 A 36 CYS H A 24 LEU HDx% 1.0 . 4.51 1159 875 A 24 LEU HDx% A 36 CYS HBx 1.0 . 3.51 1160 875 A 24 LEU HDy% A 36 CYS HBx 1.0 . 3.51 1161 875 A 36 CYS HBy A 24 LEU HDy% 1.0 . 3.51 1162 875 A 36 CYS HBy A 24 LEU HDx% 1.0 . 3.51 1163 876 A 25 GLN HBy A 26 LEU HDy% 1.0 . 5.44 1164 876 A 26 LEU HDx% A 25 GLN HBx 1.0 . 5.44 1165 876 A 25 GLN HBy A 26 LEU HDx% 1.0 . 5.44 1166 876 A 25 GLN HBx A 26 LEU HDy% 1.0 . 5.44 1167 877 A 26 LEU H A 26 LEU HBx 1.0 . 3.04 1168 877 A 26 LEU H A 26 LEU HBy 1.0 . 3.04 1169 878 A 26 LEU H A 26 LEU HDy% 1.0 . 4.12 1170 878 A 26 LEU H A 26 LEU HDx% 1.0 . 4.12 1171 879 A 26 LEU HA A 26 LEU HDy% 1.0 . 3.06 1172 879 A 26 LEU HA A 26 LEU HDx% 1.0 . 3.06 1173 880 A 27 PHE H A 26 LEU HBx 1.0 . 3.59 1174 880 A 27 PHE H A 26 LEU HBy 1.0 . 3.59 1175 881 A 27 PHE HD% A 26 LEU HBx 1.0 . 4.37 1176 881 A 27 PHE HD% A 26 LEU HBy 1.0 . 4.37 1177 882 A 28 SER H A 26 LEU HBx 1.0 . 5.04 1178 882 A 28 SER H A 26 LEU HBy 1.0 . 5.04 1179 883 A 27 PHE H A 27 PHE HBx 1.0 . 3.30 1180 883 A 27 PHE H A 27 PHE HBy 1.0 . 3.30 1181 884 A 27 PHE HBx A 51 VAL HGx% 1.0 . 4.04 1182 884 A 27 PHE HBy A 51 VAL HGx% 1.0 . 4.04 1183 884 A 51 VAL HGy% A 27 PHE HBx 1.0 . 4.04 1184 884 A 51 VAL HGy% A 27 PHE HBy 1.0 . 4.04 1185 885 A 53 PHE HE% A 27 PHE HBx 1.0 . 3.83 1186 885 A 53 PHE HE% A 27 PHE HBy 1.0 . 3.83 1187 886 A 27 PHE HD% A 51 VAL HGx% 1.0 . 4.34 1188 886 A 27 PHE HD% A 51 VAL HGy% 1.0 . 4.34 1189 887 A 30 ILE HG2% A 58 HIS HBx 1.0 . 4.13 1190 887 A 30 ILE HG2% A 58 HIS HBy 1.0 . 4.13 1191 888 A 31 GLY H A 58 HIS HBx 1.0 . 4.61 1192 888 A 31 GLY H A 58 HIS HBy 1.0 . 4.61 1193 889 A 31 GLY HAy A 32 PRO HDx 1.0 . 3.57 1194 889 A 31 GLY HAy A 32 PRO HDy 1.0 . 3.57 1195 890 A 31 GLY HAx A 32 PRO HDx 1.0 . 3.37 1196 890 A 31 GLY HAx A 32 PRO HDy 1.0 . 3.37 1197 891 A 33 CYS H A 32 PRO HBx 1.0 . 3.85 1198 891 A 33 CYS H A 32 PRO HBy 1.0 . 3.85 1199 892 A 32 PRO HBx A 54 HIS HBx 1.0 . 4.25 1200 892 A 32 PRO HBy A 54 HIS HBx 1.0 . 4.25 1201 892 A 54 HIS HBy A 32 PRO HBx 1.0 . 4.25 1202 892 A 32 PRO HBy A 54 HIS HBy 1.0 . 4.25 1203 893 A 54 HIS HD2 A 32 PRO HBx 1.0 . 3.33 1204 893 A 54 HIS HD2 A 32 PRO HBy 1.0 . 3.33 1205 894 A 32 PRO HGx A 54 HIS HBx 1.0 . 4.76 1206 894 A 32 PRO HGy A 54 HIS HBx 1.0 . 4.76 1207 894 A 54 HIS HBy A 32 PRO HGx 1.0 . 4.76 1208 894 A 54 HIS HBy A 32 PRO HGy 1.0 . 4.76 1209 895 A 55 GLU HBy A 32 PRO HDx 1.0 . 3.79 1210 895 A 55 GLU HBy A 32 PRO HDy 1.0 . 3.79 1211 896 A 32 PRO HDy A 55 GLU HGx 1.0 . 5.34 1212 896 A 32 PRO HDx A 55 GLU HGx 1.0 . 5.34 1213 896 A 55 GLU HGy A 32 PRO HDx 1.0 . 5.34 1214 896 A 55 GLU HGy A 32 PRO HDy 1.0 . 5.34 1215 897 A 58 HIS HE1 A 32 PRO HDx 1.0 . 4.45 1216 897 A 58 HIS HE1 A 32 PRO HDy 1.0 . 4.45 1217 898 A 33 CYS H A 33 CYS HBx 1.0 . 3.48 1218 898 A 33 CYS H A 33 CYS HBy 1.0 . 3.48 1219 899 A 34 LYS H A 33 CYS HBx 1.0 . 3.96 1220 899 A 34 LYS H A 33 CYS HBy 1.0 . 3.96 1221 900 A 35 ASN H A 33 CYS HBx 1.0 . 3.92 1222 900 A 35 ASN H A 33 CYS HBy 1.0 . 3.92 1223 901 A 33 CYS HBy A 51 VAL HGx% 1.0 . 4.66 1224 901 A 51 VAL HGy% A 33 CYS HBx 1.0 . 4.66 1225 901 A 51 VAL HGy% A 33 CYS HBy 1.0 . 4.66 1226 901 A 33 CYS HBx A 51 VAL HGx% 1.0 . 4.66 1227 902 A 34 LYS H A 34 LYS HBx 1.0 . 3.57 1228 902 A 34 LYS H A 34 LYS HBy 1.0 . 3.57 1229 903 A 34 LYS HBx A 34 LYS HDx 1.0 . 3.51 1230 903 A 34 LYS HBy A 34 LYS HDx 1.0 . 3.51 1231 903 A 34 LYS HDy A 34 LYS HBx 1.0 . 3.51 1232 903 A 34 LYS HDy A 34 LYS HBy 1.0 . 3.51 1233 904 A 35 ASN H A 34 LYS HBx 1.0 . 3.55 1234 904 A 35 ASN H A 34 LYS HBy 1.0 . 3.55 1235 905 A 36 CYS HA A 51 VAL HGx% 1.0 . 4.44 1236 905 A 36 CYS HA A 51 VAL HGy% 1.0 . 4.44 1237 906 A 36 CYS HBy A 51 VAL HGx% 1.0 . 4.18 1238 906 A 36 CYS HBx A 51 VAL HGx% 1.0 . 4.18 1239 906 A 51 VAL HGy% A 36 CYS HBx 1.0 . 4.18 1240 906 A 36 CYS HBy A 51 VAL HGy% 1.0 . 4.18 1241 907 A 38 MET H A 38 MET HBx 1.0 . 3.49 1242 907 A 38 MET H A 38 MET HBy 1.0 . 3.49 1243 908 A 39 ILE H A 38 MET HGy 1.0 . 5.34 1244 908 A 39 ILE H A 38 MET HGx 1.0 . 5.34 1245 909 A 39 ILE H A 39 ILE HG1x 1.0 . 3.84 1246 909 A 39 ILE H A 39 ILE HG1y 1.0 . 3.84 1247 910 A 39 ILE H A 49 CYS HBx 1.0 . 5.34 1248 910 A 39 ILE H A 49 CYS HBy 1.0 . 5.34 1249 911 A 39 ILE HG2% A 39 ILE HG1x 1.0 . 3.13 1250 911 A 39 ILE HG2% A 39 ILE HG1y 1.0 . 3.13 1251 912 A 39 ILE HG2% A 40 MET HGy 1.0 . 5.16 1252 912 A 39 ILE HG2% A 40 MET HGx 1.0 . 5.16 1253 913 A 48 TYR HD% A 39 ILE HG1x 1.0 . 5.31 1254 913 A 48 TYR HD% A 39 ILE HG1y 1.0 . 5.31 1255 914 A 48 TYR HE% A 39 ILE HG1x 1.0 . 3.86 1256 914 A 48 TYR HE% A 39 ILE HG1y 1.0 . 3.86 1257 915 A 49 CYS H A 39 ILE HG1x 1.0 . 5.34 1258 915 A 49 CYS H A 39 ILE HG1y 1.0 . 5.34 1259 916 A 49 CYS HA A 39 ILE HG1x 1.0 . 4.85 1260 916 A 49 CYS HA A 39 ILE HG1y 1.0 . 4.85 1261 917 A 50 PHE H A 39 ILE HG1x 1.0 . 4.84 1262 917 A 50 PHE H A 39 ILE HG1y 1.0 . 4.84 1263 918 A 50 PHE HBy A 39 ILE HG1x 1.0 . 5.34 1264 918 A 50 PHE HBy A 39 ILE HG1y 1.0 . 5.34 1265 919 A 50 PHE HE% A 39 ILE HG1x 1.0 . 4.67 1266 919 A 50 PHE HE% A 39 ILE HG1y 1.0 . 4.67 1267 920 A 40 MET H A 40 MET HBx 1.0 . 3.49 1268 920 A 40 MET H A 40 MET HBy 1.0 . 3.49 1269 921 A 40 MET H A 40 MET HGy 1.0 . 4.14 1270 921 A 40 MET H A 40 MET HGx 1.0 . 4.14 1271 922 A 41 ASP H A 40 MET HBx 1.0 . 3.68 1272 922 A 41 ASP H A 40 MET HBy 1.0 . 3.68 1273 923 A 40 MET HBy A 41 ASP HBy 1.0 . 5.18 1274 923 A 40 MET HBx A 41 ASP HBy 1.0 . 5.18 1275 923 A 41 ASP HBx A 40 MET HBx 1.0 . 5.18 1276 923 A 40 MET HBy A 41 ASP HBx 1.0 . 5.18 1277 924 A 41 ASP H A 41 ASP HBy 1.0 . 3.45 1278 924 A 41 ASP H A 41 ASP HBx 1.0 . 3.45 1279 925 A 42 THR H A 41 ASP HBy 1.0 . 3.87 1280 925 A 42 THR H A 41 ASP HBx 1.0 . 3.87 1281 926 A 42 THR HB A 41 ASP HBy 1.0 . 5.34 1282 926 A 42 THR HB A 41 ASP HBx 1.0 . 5.34 1283 927 A 43 ALA H A 41 ASP HBy 1.0 . 5.04 1284 927 A 43 ALA H A 41 ASP HBx 1.0 . 5.04 1285 928 A 49 CYS H A 48 TYR HBx 1.0 . 3.52 1286 928 A 49 CYS H A 48 TYR HBy 1.0 . 3.52 1287 929 A 51 VAL H A 51 VAL HGx% 1.0 . 3.85 1288 929 A 51 VAL H A 51 VAL HGy% 1.0 . 3.85 1289 930 A 52 GLU H A 51 VAL HGx% 1.0 . 4.17 1290 930 A 52 GLU H A 51 VAL HGy% 1.0 . 4.17 1291 931 A 53 PHE HE% A 51 VAL HGx% 1.0 . 3.76 1292 931 A 53 PHE HE% A 51 VAL HGy% 1.0 . 3.76 1293 932 A 54 HIS H A 54 HIS HBx 1.0 . 3.54 1294 932 A 54 HIS H A 54 HIS HBy 1.0 . 3.54 1295 933 A 54 HIS HD2 A 54 HIS HBx 1.0 . 3.46 1296 933 A 54 HIS HD2 A 54 HIS HBy 1.0 . 3.46 1297 934 A 55 GLU H A 54 HIS HBx 1.0 . 3.99 1298 934 A 55 GLU H A 54 HIS HBy 1.0 . 3.99 1299 935 A 54 HIS HBx A 55 GLU HGx 1.0 . 3.96 1300 935 A 54 HIS HBy A 55 GLU HGx 1.0 . 3.96 1301 935 A 55 GLU HGy A 54 HIS HBx 1.0 . 3.96 1302 935 A 55 GLU HGy A 54 HIS HBy 1.0 . 3.96 1303 936 A 58 HIS H A 58 HIS HBx 1.0 . 3.55 1304 936 A 58 HIS H A 58 HIS HBy 1.0 . 3.55 1305 937 A 59 ALA H A 58 HIS HBx 1.0 . 3.87 1306 937 A 59 ALA H A 58 HIS HBy 1.0 . 3.87 1307 938 A 60 ALA HA A 63 LEU HBx 1.0 . 4.19 1308 938 A 60 ALA HA A 63 LEU HBy 1.0 . 4.19 1309 939 A 63 LEU H A 63 LEU HBx 1.0 . 2.82 1310 939 A 63 LEU H A 63 LEU HBy 1.0 . 2.82 1311 940 A 63 LEU H A 63 LEU HDy% 1.0 . 4.53 1312 940 A 63 LEU H A 63 LEU HDx% 1.0 . 4.53 1313 941 A 63 LEU HA A 63 LEU HDy% 1.0 . 3.58 1314 941 A 63 LEU HA A 63 LEU HDx% 1.0 . 3.58 1315 942 A 64 ALA H A 63 LEU HBx 1.0 . 3.53 1316 942 A 64 ALA H A 63 LEU HBy 1.0 . 3.53 1317 943 A 64 ALA H A 63 LEU HDy% 1.0 . 4.29 1318 943 A 64 ALA H A 63 LEU HDx% 1.0 . 4.29 1319 944 A 64 ALA HA A 63 LEU HDy% 1.0 . 4.35 1320 944 A 63 LEU HDx% A 64 ALA HA 1.0 . 4.35 1321 945 A 64 ALA HB% A 63 LEU HDy% 1.0 . 4.19 1322 945 A 64 ALA HB% A 63 LEU HDx% 1.0 . 4.19 1323 946 A 63 LEU HDy% A 67 ASN HBy 1.0 . 4.17 1324 946 A 63 LEU HDx% A 67 ASN HBy 1.0 . 4.17 1325 946 A 67 ASN HBx A 63 LEU HDy% 1.0 . 4.17 1326 946 A 63 LEU HDx% A 67 ASN HBx 1.0 . 4.17 1327 947 A 78 VAL HB A 63 LEU HDy% 1.0 . 3.82 1328 947 A 78 VAL HB A 63 LEU HDx% 1.0 . 3.82 1329 948 A 78 VAL HGx% A 63 LEU HDy% 1.0 . 3.25 1330 948 A 78 VAL HGx% A 63 LEU HDx% 1.0 . 3.25 1331 949 A 79 ASN HA A 63 LEU HDy% 1.0 . 3.18 1332 949 A 79 ASN HA A 63 LEU HDx% 1.0 . 3.18 1333 950 A 63 LEU HDx% A 79 ASN HBx 1.0 . 5.22 1334 950 A 63 LEU HDy% A 79 ASN HBx 1.0 . 5.22 1335 950 A 79 ASN HBy A 63 LEU HDy% 1.0 . 5.22 1336 950 A 63 LEU HDx% A 79 ASN HBy 1.0 . 5.22 1337 951 A 80 TRP H A 63 LEU HDy% 1.0 . 3.81 1338 951 A 80 TRP H A 63 LEU HDx% 1.0 . 3.81 1339 952 A 80 TRP HD1 A 63 LEU HDy% 1.0 . 3.71 1340 952 A 80 TRP HD1 A 63 LEU HDx% 1.0 . 3.71 1341 953 A 80 TRP HE1 A 63 LEU HDy% 1.0 . 3.74 1342 953 A 80 TRP HE1 A 63 LEU HDx% 1.0 . 3.74 1343 954 A 66 MET HA A 69 ARG HGy 1.0 . 4.50 1344 954 A 66 MET HA A 69 ARG HGx 1.0 . 4.50 1345 955 A 67 ASN H A 67 ASN HBy 1.0 . 3.05 1346 955 A 67 ASN H A 67 ASN HBx 1.0 . 3.05 1347 956 A 78 VAL H A 67 ASN HBy 1.0 . 4.38 1348 956 A 78 VAL H A 67 ASN HBx 1.0 . 4.38 1349 957 A 78 VAL HB A 67 ASN HBy 1.0 . 3.75 1350 957 A 78 VAL HB A 67 ASN HBx 1.0 . 3.75 1351 958 A 78 VAL HGy% A 67 ASN HBy 1.0 . 4.25 1352 958 A 78 VAL HGy% A 67 ASN HBx 1.0 . 4.25 1353 959 A 76 VAL HGy% A 68 GLY HAy 1.0 . 3.68 1354 959 A 76 VAL HGy% A 68 GLY HAx 1.0 . 3.68 1355 960 A 69 ARG HA A 69 ARG HGy 1.0 . 3.12 1356 960 A 69 ARG HA A 69 ARG HGx 1.0 . 3.12 1357 961 A 70 LYS H A 69 ARG HGy 1.0 . 3.00 1358 961 A 70 LYS H A 69 ARG HGx 1.0 . 3.00 1359 962 A 70 LYS H A 70 LYS HBx 1.0 . 3.44 1360 962 A 70 LYS H A 70 LYS HBy 1.0 . 3.44 1361 963 A 71 ILE H A 70 LYS HBx 1.0 . 4.38 1362 963 A 71 ILE H A 70 LYS HBy 1.0 . 4.38 1363 964 A 71 ILE H A 70 LYS HEx 1.0 . 4.85 1364 964 A 71 ILE H A 70 LYS HEy 1.0 . 4.85 1365 965 A 71 ILE H A 71 ILE HG1x 1.0 . 4.33 1366 965 A 71 ILE H A 71 ILE HG1y 1.0 . 4.33 1367 966 A 71 ILE HA A 71 ILE HG1x 1.0 . 3.46 1368 966 A 71 ILE HA A 71 ILE HG1y 1.0 . 3.46 1369 967 A 71 ILE HG2% A 72 MET HBx 1.0 . 4.21 1370 967 A 71 ILE HG2% A 72 MET HBy 1.0 . 4.21 1371 968 A 74 LYS H A 74 LYS HBy 1.0 . 3.61 1372 968 A 74 LYS H A 74 LYS HBx 1.0 . 3.61 1373 969 A 74 LYS HA A 75 GLU HBx 1.0 . 5.34 1374 969 A 74 LYS HA A 75 GLU HBy 1.0 . 5.34 1375 970 A 75 GLU H A 75 GLU HBx 1.0 . 3.10 1376 970 A 75 GLU H A 75 GLU HBy 1.0 . 3.10 1377 971 A 76 VAL H A 75 GLU HBx 1.0 . 3.92 1378 971 A 76 VAL H A 75 GLU HBy 1.0 . 3.92 1379 972 A 79 ASN H A 79 ASN HBx 1.0 . 3.57 1380 972 A 79 ASN H A 79 ASN HBy 1.0 . 3.57 1381 973 A 80 TRP H A 79 ASN HBx 1.0 . 3.41 1382 973 A 80 TRP H A 79 ASN HBy 1.0 . 3.41 1383 974 A 80 TRP H A 80 TRP HBy 1.0 . 3.40 1384 974 A 80 TRP H A 80 TRP HBx 1.0 . 3.40 1385 975 A 80 TRP HD1 A 80 TRP HBy 1.0 . 3.19 1386 975 A 80 TRP HD1 A 80 TRP HBx 1.0 . 3.19 1387 976 A 81 ALA H A 80 TRP HBy 1.0 . 3.88 1388 976 A 81 ALA H A 80 TRP HBx 1.0 . 3.88 1389 977 A 83 THR HA A 84 PRO HDx 1.0 . 3.00 1390 977 A 83 THR HA A 84 PRO HDy 1.0 . 3.00 1391 978 A 83 THR HB A 84 PRO HDx 1.0 . 4.59 1392 978 A 83 THR HB A 84 PRO HDy 1.0 . 4.59 1393 979 A 83 THR HG2% A 84 PRO HDx 1.0 . 4.16 1394 979 A 83 THR HG2% A 84 PRO HDy 1.0 . 4.16 1395 980 A 88 LYS HBx A 88 LYS HEx 1.0 . 5.30 1396 980 A 88 LYS HBy A 88 LYS HEx 1.0 . 5.30 1397 980 A 88 LYS HEy A 88 LYS HBx 1.0 . 5.30 1398 980 A 88 LYS HBy A 88 LYS HEy 1.0 . 5.30 1399 981 A 89 LYS HBx A 89 LYS HEx 1.0 . 5.20 1400 981 A 89 LYS HBy A 89 LYS HEx 1.0 . 5.20 1401 981 A 89 LYS HEy A 89 LYS HBx 1.0 . 5.20 1402 981 A 89 LYS HBy A 89 LYS HEy 1.0 . 5.20 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _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 1 MET C A 2 GLU N A 2 GLU CA A 2 GLU C 1.0 -83.0 -43.0 PHI 2 2 A 2 GLU N A 2 GLU CA A 2 GLU C A 3 ASP N 1.0 -59.0 -19.0 PSI 3 3 A 2 GLU C A 3 ASP N A 3 ASP CA A 3 ASP C 1.0 -87.8 -47.8 PHI 4 4 A 3 ASP N A 3 ASP CA A 3 ASP C A 4 GLU N 1.0 -64.4 -0.2 PSI 5 5 A 3 ASP C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -122.4 -62.6 PHI 6 6 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 MET N 1.0 -45.2 26.8 PSI 7 7 A 4 GLU C A 5 MET N A 5 MET CA A 5 MET C 1.0 -130.8 -25.3 PHI 8 8 A 5 MET N A 5 MET CA A 5 MET C A 6 PRO N 1.0 72.3 193.6 PSI 9 9 A 7 LYS C A 8 THR N A 8 THR CA A 8 THR C 1.0 -137.1 -80.4 PHI 10 10 A 8 THR N A 8 THR CA A 8 THR C A 9 LEU N 1.0 104.4 146.3 PSI 11 11 A 8 THR C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -146.7 -78.2 PHI 12 12 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 TYR N 1.0 99.4 168.3 PSI 13 13 A 9 LEU C A 10 TYR N A 10 TYR CA A 10 TYR C 1.0 -149.4 -70.2 PHI 14 14 A 10 TYR N A 10 TYR CA A 10 TYR C A 11 VAL N 1.0 92.6 142.8 PSI 15 15 A 10 TYR C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -136.6 -93.9 PHI 16 16 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 GLY N 1.0 113.1 153.1 PSI 17 17 A 11 VAL C A 12 GLY N A 12 GLY CA A 12 GLY C 1.0 -211.1 -71.1 PHI 18 18 A 12 GLY N A 12 GLY CA A 12 GLY C A 13 ASN N 1.0 124.4 202.3 PSI 19 19 A 14 LEU C A 15 SER N A 15 SER CA A 15 SER C 1.0 -148.2 -42.8 PHI 20 20 A 15 SER N A 15 SER CA A 15 SER C A 16 ARG N 1.0 70.6 210.6 PSI 21 21 A 15 SER C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -80.4 -40.4 PHI 22 22 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 ASP N 1.0 -47.6 -7.6 PSI 23 23 A 16 ARG C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -129.5 -55.4 PHI 24 24 A 17 ASP N A 17 ASP CA A 17 ASP C A 18 VAL N 1.0 -38.6 13.8 PSI 25 25 A 18 VAL C A 19 THR N A 19 THR CA A 19 THR C 1.0 -157.4 -69.5 PHI 26 26 A 19 THR N A 19 THR CA A 19 THR C A 20 GLU N 1.0 144.9 184.9 PSI 27 27 A 19 THR C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -80.8 -40.8 PHI 28 28 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 ALA N 1.0 -62.2 -22.2 PSI 29 29 A 20 GLU C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -82.0 -42.0 PHI 30 30 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 LEU N 1.0 -59.7 -19.7 PSI 31 31 A 21 ALA C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -84.9 -44.9 PHI 32 32 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 ILE N 1.0 -65.4 -25.4 PSI 33 33 A 22 LEU C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -85.3 -45.3 PHI 34 34 A 23 ILE N A 23 ILE CA A 23 ILE C A 24 LEU N 1.0 -63.1 -23.1 PSI 35 35 A 23 ILE C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -83.7 -43.7 PHI 36 36 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 GLN N 1.0 -61.3 -21.3 PSI 37 37 A 24 LEU C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -86.3 -46.3 PHI 38 38 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 LEU N 1.0 -63.1 -23.1 PSI 39 39 A 25 GLN C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -82.9 -42.9 PHI 40 40 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 PHE N 1.0 -60.3 -20.3 PSI 41 41 A 26 LEU C A 27 PHE N A 27 PHE CA A 27 PHE C 1.0 -85.5 -45.5 PHI 42 42 A 27 PHE N A 27 PHE CA A 27 PHE C A 28 SER N 1.0 -59.1 -19.1 PSI 43 43 A 27 PHE C A 28 SER N A 28 SER CA A 28 SER C 1.0 -79.9 -39.9 PHI 44 44 A 28 SER N A 28 SER CA A 28 SER C A 29 GLN N 1.0 -56.6 -16.6 PSI 45 45 A 28 SER C A 29 GLN N A 29 GLN CA A 29 GLN C 1.0 -87.9 -47.9 PHI 46 46 A 29 GLN N A 29 GLN CA A 29 GLN C A 30 ILE N 1.0 -49.4 -4.0 PSI 47 47 A 29 GLN C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -121.9 -51.0 PHI 48 48 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 GLY N 1.0 -52.3 9.2 PSI 49 49 A 30 ILE C A 31 GLY N A 31 GLY CA A 31 GLY C 1.0 -227.7 -87.7 PHI 50 50 A 31 GLY N A 31 GLY CA A 31 GLY C A 32 PRO N 1.0 52.4 192.4 PSI 51 51 A 32 PRO C A 33 CYS N A 33 CYS CA A 33 CYS C 1.0 -133.8 -68.7 PHI 52 52 A 33 CYS N A 33 CYS CA A 33 CYS C A 34 LYS N 1.0 59.9 174.0 PSI 53 53 A 33 CYS C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -113.0 -72.6 PHI 54 54 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 ASN N 1.0 -58.3 -11.1 PSI 55 55 A 34 LYS C A 35 ASN N A 35 ASN CA A 35 ASN C 1.0 -182.5 -129.7 PHI 56 56 A 35 ASN N A 35 ASN CA A 35 ASN C A 36 CYS N 1.0 127.1 172.7 PSI 57 57 A 35 ASN C A 36 CYS N A 36 CYS CA A 36 CYS C 1.0 -159.6 -77.5 PHI 58 58 A 36 CYS N A 36 CYS CA A 36 CYS C A 37 LYS N 1.0 105.8 168.7 PSI 59 59 A 36 CYS C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -147.7 -86.3 PHI 60 60 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 MET N 1.0 107.2 160.3 PSI 61 61 A 37 LYS C A 38 MET N A 38 MET CA A 38 MET C 1.0 -139.0 -63.2 PHI 62 62 A 38 MET N A 38 MET CA A 38 MET C A 39 ILE N 1.0 99.9 141.5 PSI 63 63 A 38 MET C A 39 ILE N A 39 ILE CA A 39 ILE C 1.0 -143.3 -55.0 PHI 64 64 A 39 ILE N A 39 ILE CA A 39 ILE C A 40 MET N 1.0 85.8 165.4 PSI 65 65 A 39 ILE C A 40 MET N A 40 MET CA A 40 MET C 1.0 -169.2 -50.6 PHI 66 66 A 40 MET N A 40 MET CA A 40 MET C A 41 ASP N 1.0 85.0 188.2 PSI 67 67 A 40 MET C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -145.0 -53.7 PHI 68 68 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 THR N 1.0 71.8 194.6 PSI 69 69 A 41 ASP C A 42 THR N A 42 THR CA A 42 THR C 1.0 -99.8 -37.8 PHI 70 70 A 42 THR N A 42 THR CA A 42 THR C A 43 ALA N 1.0 -58.4 5.8 PSI 71 71 A 45 ASN C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -149.9 -9.9 PHI 72 72 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 PRO N 1.0 116.4 182.0 PSI 73 73 A 47 PRO C A 48 TYR N A 48 TYR CA A 48 TYR C 1.0 -193.5 -70.1 PHI 74 74 A 48 TYR N A 48 TYR CA A 48 TYR C A 49 CYS N 1.0 143.4 183.4 PSI 75 75 A 48 TYR C A 49 CYS N A 49 CYS CA A 49 CYS C 1.0 -164.1 -107.2 PHI 76 76 A 49 CYS N A 49 CYS CA A 49 CYS C A 50 PHE N 1.0 128.6 178.1 PSI 77 77 A 49 CYS C A 50 PHE N A 50 PHE CA A 50 PHE C 1.0 -135.9 -95.9 PHI 78 78 A 50 PHE N A 50 PHE CA A 50 PHE C A 51 VAL N 1.0 103.9 155.9 PSI 79 79 A 50 PHE C A 51 VAL N A 51 VAL CA A 51 VAL C 1.0 -155.0 -95.9 PHI 80 80 A 51 VAL N A 51 VAL CA A 51 VAL C A 52 GLU N 1.0 105.2 146.1 PSI 81 81 A 51 VAL C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -140.7 -85.7 PHI 82 82 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 PHE N 1.0 115.3 155.3 PSI 83 83 A 53 PHE C A 54 HIS N A 54 HIS CA A 54 HIS C 1.0 -107.2 -42.3 PHI 84 84 A 54 HIS N A 54 HIS CA A 54 HIS C A 55 GLU N 1.0 -64.4 -8.2 PSI 85 85 A 54 HIS C A 55 GLU N A 55 GLU CA A 55 GLU C 1.0 -180.8 -96.5 PHI 86 86 A 55 GLU N A 55 GLU CA A 55 GLU C A 56 HIS N 1.0 72.3 208.4 PSI 87 87 A 55 GLU C A 56 HIS N A 56 HIS CA A 56 HIS C 1.0 -77.6 -37.6 PHI 88 88 A 56 HIS N A 56 HIS CA A 56 HIS C A 57 ARG N 1.0 -66.5 -26.5 PSI 89 89 A 56 HIS C A 57 ARG N A 57 ARG CA A 57 ARG C 1.0 -81.1 -41.1 PHI 90 90 A 57 ARG N A 57 ARG CA A 57 ARG C A 58 HIS N 1.0 -65.6 5.5 PSI 91 91 A 57 ARG C A 58 HIS N A 58 HIS CA A 58 HIS C 1.0 -98.7 -45.5 PHI 92 92 A 58 HIS N A 58 HIS CA A 58 HIS C A 59 ALA N 1.0 -64.5 -10.0 PSI 93 93 A 58 HIS C A 59 ALA N A 59 ALA CA A 59 ALA C 1.0 -84.7 -44.7 PHI 94 94 A 59 ALA N A 59 ALA CA A 59 ALA C A 60 ALA N 1.0 -60.9 -20.9 PSI 95 95 A 59 ALA C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -78.6 -38.6 PHI 96 96 A 60 ALA N A 60 ALA CA A 60 ALA C A 61 ALA N 1.0 -62.4 -22.4 PSI 97 97 A 60 ALA C A 61 ALA N A 61 ALA CA A 61 ALA C 1.0 -85.4 -45.4 PHI 98 98 A 61 ALA N A 61 ALA CA A 61 ALA C A 62 ALA N 1.0 -57.7 -17.7 PSI 99 99 A 61 ALA C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -85.4 -45.4 PHI 100 100 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 LEU N 1.0 -60.5 -20.5 PSI 101 101 A 62 ALA C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -82.6 -42.6 PHI 102 102 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 ALA N 1.0 -64.2 -24.2 PSI 103 103 A 63 LEU C A 64 ALA N A 64 ALA CA A 64 ALA C 1.0 -81.7 -41.7 PHI 104 104 A 64 ALA N A 64 ALA CA A 64 ALA C A 65 ALA N 1.0 -61.4 -14.9 PSI 105 105 A 64 ALA C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -91.4 -51.4 PHI 106 106 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 MET N 1.0 -60.0 -9.5 PSI 107 107 A 65 ALA C A 66 MET N A 66 MET CA A 66 MET C 1.0 -124.9 -82.9 PHI 108 108 A 66 MET N A 66 MET CA A 66 MET C A 67 ASN N 1.0 -39.6 28.7 PSI 109 109 A 66 MET C A 67 ASN N A 67 ASN CA A 67 ASN C 1.0 -74.8 -34.8 PHI 110 110 A 67 ASN N A 67 ASN CA A 67 ASN C A 68 GLY N 1.0 111.5 151.5 PSI 111 111 A 67 ASN C A 68 GLY N A 68 GLY CA A 68 GLY C 1.0 63.8 120.1 PHI 112 112 A 68 GLY N A 68 GLY CA A 68 GLY C A 69 ARG N 1.0 -31.7 9.1 PSI 113 113 A 68 GLY C A 69 ARG N A 69 ARG CA A 69 ARG C 1.0 -103.8 -53.2 PHI 114 114 A 69 ARG N A 69 ARG CA A 69 ARG C A 70 LYS N 1.0 112.8 183.3 PSI 115 115 A 69 ARG C A 70 LYS N A 70 LYS CA A 70 LYS C 1.0 -153.3 -13.3 PHI 116 116 A 70 LYS N A 70 LYS CA A 70 LYS C A 71 ILE N 1.0 81.0 159.6 PSI 117 117 A 70 LYS C A 71 ILE N A 71 ILE CA A 71 ILE C 1.0 -157.6 -72.6 PHI 118 118 A 71 ILE N A 71 ILE CA A 71 ILE C A 72 MET N 1.0 107.6 147.6 PSI 119 119 A 73 GLY C A 74 LYS N A 74 LYS CA A 74 LYS C 1.0 -157.3 -59.9 PHI 120 120 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 GLU N 1.0 110.0 170.0 PSI 121 121 A 74 LYS C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -134.5 -56.2 PHI 122 122 A 75 GLU N A 75 GLU CA A 75 GLU C A 76 VAL N 1.0 110.5 151.4 PSI 123 123 A 75 GLU C A 76 VAL N A 76 VAL CA A 76 VAL C 1.0 -138.4 -68.3 PHI 124 124 A 76 VAL N A 76 VAL CA A 76 VAL C A 77 LYS N 1.0 100.7 169.9 PSI 125 125 A 76 VAL C A 77 LYS N A 77 LYS CA A 77 LYS C 1.0 -147.3 -80.8 PHI 126 126 A 77 LYS N A 77 LYS CA A 77 LYS C A 78 VAL N 1.0 84.0 155.9 PSI 127 127 A 77 LYS C A 78 VAL N A 78 VAL CA A 78 VAL C 1.0 -154.8 -83.6 PHI 128 128 A 78 VAL N A 78 VAL CA A 78 VAL C A 79 ASN N 1.0 99.1 164.1 PSI 129 129 A 78 VAL C A 79 ASN N A 79 ASN CA A 79 ASN C 1.0 -164.7 -110.0 PHI 130 130 A 79 ASN N A 79 ASN CA A 79 ASN C A 80 TRP N 1.0 129.3 182.3 PSI 131 131 A 79 ASN C A 80 TRP N A 80 TRP CA A 80 TRP C 1.0 -125.6 -35.9 PHI 132 132 A 80 TRP N A 80 TRP CA A 80 TRP C A 81 ALA N 1.0 86.5 178.7 PSI 133 133 A 80 TRP C A 81 ALA N A 81 ALA CA A 81 ALA C 1.0 -158.0 -18.0 PHI 134 134 A 81 ALA N A 81 ALA CA A 81 ALA C A 82 THR N 1.0 92.5 165.3 PSI 135 135 A 81 ALA C A 82 THR N A 82 THR CA A 82 THR C 1.0 -142.3 -2.3 PHI 136 136 A 82 THR N A 82 THR CA A 82 THR C A 83 THR N 1.0 69.2 209.2 PSI 137 137 A 82 THR C A 83 THR N A 83 THR CA A 83 THR C 1.0 -125.3 -46.0 PHI 138 138 A 83 THR N A 83 THR CA A 83 THR C A 84 PRO N 1.0 105.3 168.3 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 14.02 'not observed' 2 ppm 1H 14.02 'not observed' 3 ppm 15N 34.0001 'not observed' stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 12.01 'not observed' 2 ppm 1H 12.01 'not observed' 3 ppm 13C 70.0058 'not observed' stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 12.01 'not observed' 2 ppm 1H 12.000 'not observed' 3 ppm 13C 28 'not observed' stop_ save_