data_nef_c15735_2k32 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 15737 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 ASP start . . 2 A 2 VAL middle . . 3 A 3 ILE middle . . 4 A 4 ILE middle . . 5 A 5 LYS middle . . 6 A 6 PRO middle . false 7 A 7 GLN middle . . 8 A 8 VAL middle . . 9 A 9 SER middle . . 10 A 10 GLY middle . false 11 A 11 VAL middle . . 12 A 12 ILE middle . . 13 A 13 VAL middle . . 14 A 14 ASN middle . . 15 A 15 LYS middle . . 16 A 16 LEU middle . . 17 A 17 PHE middle . . 18 A 18 LYS middle . . 19 A 19 ALA middle . . 20 A 20 GLY middle . false 21 A 21 ASP middle . . 22 A 22 LYS middle . . 23 A 23 VAL middle . . 24 A 24 LYS middle . . 25 A 25 LYS middle . . 26 A 26 GLY middle . false 27 A 27 GLN middle . . 28 A 28 THR middle . . 29 A 29 LEU middle . . 30 A 30 PHE middle . . 31 A 31 ILE middle . . 32 A 32 ILE middle . . 33 A 33 GLU middle . . 34 A 34 GLN middle . . 35 A 35 ASP middle . . 36 A 36 GLN middle . . 37 A 37 ALA middle . . 38 A 38 SER middle . . 39 A 39 LYS middle . . 40 A 40 ASP middle . . 41 A 41 PHE middle . . 42 A 42 ASN middle . . 43 A 43 ARG middle . . 44 A 44 SER middle . . 45 A 45 LYS middle . . 46 A 46 ALA middle . . 47 A 47 LEU middle . . 48 A 48 PHE middle . . 49 A 49 SER middle . . 50 A 50 GLN middle . . 51 A 51 SER middle . . 52 A 52 ALA middle . . 53 A 53 ILE middle . . 54 A 54 SER middle . . 55 A 55 GLN middle . . 56 A 56 LYS middle . . 57 A 57 GLU middle . . 58 A 58 TYR middle . . 59 A 59 ASP middle . . 60 A 60 SER middle . . 61 A 61 SER middle . . 62 A 62 LEU middle . . 63 A 63 ALA middle . . 64 A 64 THR middle . . 65 A 65 LEU middle . . 66 A 66 ASP middle . . 67 A 67 HIS middle . . 68 A 68 THR middle . . 69 A 69 GLU middle . . 70 A 70 ILE middle . . 71 A 71 LYS middle . . 72 A 72 ALA middle . . 73 A 73 PRO middle . false 74 A 74 PHE middle . . 75 A 75 ASP middle . . 76 A 76 GLY middle . false 77 A 77 THR middle . . 78 A 78 ILE middle . . 79 A 79 GLY middle . false 80 A 80 ASP middle . . 81 A 81 ALA middle . . 82 A 82 LEU middle . . 83 A 83 VAL middle . . 84 A 84 ASN middle . . 85 A 85 ILE middle . . 86 A 86 GLY middle . false 87 A 87 ASP middle . . 88 A 88 TYR middle . . 89 A 89 VAL middle . . 90 A 90 SER middle . . 91 A 91 ALA middle . . 92 A 92 SER middle . . 93 A 93 THR middle . . 94 A 94 THR middle . . 95 A 95 GLU middle . . 96 A 96 LEU middle . . 97 A 97 VAL middle . . 98 A 98 ARG middle . . 99 A 99 VAL middle . . 100 A 100 THR middle . . 101 A 101 ASN middle . . 102 A 102 LEU middle . . 103 A 103 ASN middle . . 104 A 104 PRO middle . false 105 A 105 ILE middle . . 106 A 106 TYR middle . . 107 A 107 ALA middle . . 108 A 108 ASP middle . . 109 A 109 GLY middle . false 110 A 110 SER middle . . 111 A 111 HIS middle . . 112 A 112 HIS middle . . 113 A 113 HIS middle . . 114 A 114 HIS middle . . 115 A 115 HIS middle . . 116 A 116 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ASP CA C 13 54.294 0.200 A 2 VAL H H 1 8.608 0.005 A 2 VAL HA H 1 4.472 0.020 A 2 VAL HB H 1 2.007 0.004 A 2 VAL HGx% H 1 0.930 0.001 A 2 VAL HGy% H 1 0.839 0.003 A 2 VAL CA C 13 61.161 0.011 A 2 VAL CB C 13 35.825 0.200 A 2 VAL CGy C 13 21.611 0.005 A 2 VAL CGx C 13 21.236 0.054 A 2 VAL N N 15 117.995 0.011 A 3 ILE H H 1 8.424 0.003 A 3 ILE HA H 1 4.489 0.012 A 3 ILE HB H 1 1.693 0.002 A 3 ILE HD1% H 1 0.753 0.002 A 3 ILE HG1y H 1 1.476 0.005 A 3 ILE HG1x H 1 0.875 0.002 A 3 ILE HG2% H 1 0.683 0.004 A 3 ILE CA C 13 60.273 0.037 A 3 ILE CB C 13 38.595 0.200 A 3 ILE CD1 C 13 13.201 0.005 A 3 ILE CG1 C 13 28.090 0.019 A 3 ILE CG2 C 13 18.202 0.200 A 3 ILE N N 15 125.647 0.046 A 4 ILE H H 1 8.531 0.005 A 4 ILE HA H 1 3.990 0.020 A 4 ILE HB H 1 1.723 0.020 A 4 ILE HD1% H 1 0.468 0.020 A 4 ILE HG1y H 1 1.301 0.020 A 4 ILE HG1x H 1 1.025 0.020 A 4 ILE HG2% H 1 0.710 0.020 A 4 ILE CA C 13 61.656 0.018 A 4 ILE CB C 13 38.183 0.200 A 4 ILE CD1 C 13 13.150 0.200 A 4 ILE CG1 C 13 27.648 0.006 A 4 ILE CG2 C 13 17.489 0.200 A 4 ILE N N 15 127.472 0.055 A 5 LYS H H 1 8.277 0.006 A 5 LYS HA H 1 5.164 0.003 A 5 LYS HBy H 1 1.432 0.006 A 5 LYS HBx H 1 1.380 0.004 A 5 LYS HDy H 1 1.350 0.002 A 5 LYS HDx H 1 1.305 0.001 A 5 LYS HEy H 1 2.751 0.001 A 5 LYS HEx H 1 2.750 0.020 A 5 LYS HGy H 1 1.237 0.001 A 5 LYS HGx H 1 1.122 0.001 A 5 LYS CA C 13 53.440 0.045 A 5 LYS CB C 13 33.808 0.048 A 5 LYS CD C 13 29.544 0.051 A 5 LYS CE C 13 42.686 0.064 A 5 LYS CG C 13 25.526 0.048 A 5 LYS N N 15 126.697 0.036 A 6 PRO HA H 1 4.370 0.003 A 6 PRO HBy H 1 2.404 0.004 A 6 PRO HBx H 1 1.742 0.005 A 6 PRO HDy H 1 3.905 0.006 A 6 PRO HDx H 1 3.709 0.005 A 6 PRO HGy H 1 1.998 0.020 A 6 PRO HGx H 1 1.559 0.020 A 6 PRO CA C 13 62.493 0.073 A 6 PRO CB C 13 32.091 0.059 A 6 PRO CD C 13 50.288 0.094 A 6 PRO CG C 13 26.910 0.025 A 7 GLN H H 1 9.334 0.007 A 7 GLN HA H 1 4.348 0.077 A 7 GLN HBy H 1 2.137 0.003 A 7 GLN HBx H 1 1.996 0.001 A 7 GLN HE2y H 1 7.527 0.001 A 7 GLN HE2x H 1 6.749 0.020 A 7 GLN HGy H 1 2.445 0.062 A 7 GLN HGx H 1 2.272 0.018 A 7 GLN CA C 13 56.384 0.200 A 7 GLN CB C 13 28.934 0.048 A 7 GLN CG C 13 34.060 0.040 A 7 GLN N N 15 119.944 0.200 A 7 GLN NE2 N 15 112.073 0.045 A 8 VAL H H 1 7.021 0.005 A 8 VAL HA H 1 4.476 0.006 A 8 VAL HB H 1 2.118 0.004 A 8 VAL HGx% H 1 0.796 0.020 A 8 VAL HGy% H 1 0.527 0.002 A 8 VAL CA C 13 58.999 0.094 A 8 VAL CB C 13 35.347 0.067 A 8 VAL CGy C 13 21.853 0.200 A 8 VAL CGx C 13 18.083 0.086 A 8 VAL N N 15 111.118 0.035 A 9 SER H H 1 8.155 0.008 A 9 SER HA H 1 4.945 0.003 A 9 SER HBy H 1 4.178 0.003 A 9 SER HBx H 1 3.745 0.005 A 9 SER CA C 13 56.704 0.051 A 9 SER CB C 13 64.645 0.063 A 9 SER N N 15 114.983 0.031 A 10 GLY H H 1 7.981 0.005 A 10 GLY HAy H 1 4.416 0.007 A 10 GLY HAx H 1 3.643 0.005 A 10 GLY CA C 13 45.433 0.027 A 10 GLY N N 15 108.602 0.037 A 11 VAL H H 1 8.018 0.006 A 11 VAL HA H 1 4.740 0.007 A 11 VAL HB H 1 1.747 0.001 A 11 VAL HGx% H 1 0.918 0.002 A 11 VAL HGy% H 1 0.705 0.020 A 11 VAL CA C 13 60.580 0.095 A 11 VAL CB C 13 35.124 0.016 A 11 VAL CGy C 13 22.266 0.200 A 11 VAL CGx C 13 21.191 0.200 A 11 VAL N N 15 118.346 0.034 A 12 ILE H H 1 8.452 0.004 A 12 ILE HA H 1 4.042 0.003 A 12 ILE HB H 1 2.300 0.005 A 12 ILE HD1% H 1 0.258 0.003 A 12 ILE HG1y H 1 1.448 0.020 A 12 ILE HG1x H 1 1.115 0.002 A 12 ILE HG2% H 1 0.802 0.020 A 12 ILE CA C 13 60.400 0.059 A 12 ILE CB C 13 35.725 0.009 A 12 ILE CD1 C 13 9.946 0.200 A 12 ILE CG1 C 13 25.554 0.200 A 12 ILE CG2 C 13 17.898 0.200 A 12 ILE N N 15 125.267 0.069 A 13 VAL H H 1 8.900 0.008 A 13 VAL HA H 1 4.492 0.005 A 13 VAL HB H 1 2.022 0.003 A 13 VAL HGx% H 1 0.841 0.003 A 13 VAL HGy% H 1 0.675 0.002 A 13 VAL CA C 13 62.168 0.067 A 13 VAL CB C 13 33.406 0.064 A 13 VAL CGy C 13 21.062 0.200 A 13 VAL CGx C 13 20.322 0.054 A 13 VAL N N 15 124.539 0.022 A 14 ASN H H 1 7.649 0.006 A 14 ASN HA H 1 4.805 0.002 A 14 ASN HBy H 1 2.578 0.004 A 14 ASN HBx H 1 2.300 0.003 A 14 ASN HD2y H 1 7.298 0.004 A 14 ASN HD2x H 1 6.838 0.002 A 14 ASN CA C 13 52.950 0.036 A 14 ASN CB C 13 42.149 0.037 A 14 ASN N N 15 115.008 0.013 A 14 ASN ND2 N 15 109.605 0.030 A 15 LYS H H 1 8.393 0.005 A 15 LYS HA H 1 4.640 0.003 A 15 LYS HBy H 1 1.565 0.002 A 15 LYS HBx H 1 1.368 0.001 A 15 LYS HDy H 1 1.349 0.020 A 15 LYS HDx H 1 1.200 0.020 A 15 LYS HEy H 1 2.746 0.020 A 15 LYS HEx H 1 2.577 0.020 A 15 LYS CA C 13 55.987 0.047 A 15 LYS CB C 13 35.412 0.018 A 15 LYS CD C 13 29.764 0.003 A 15 LYS CE C 13 41.641 0.014 A 15 LYS N N 15 123.820 0.031 A 16 LEU H H 1 8.015 0.005 A 16 LEU HA H 1 4.983 0.379 A 16 LEU HBy H 1 1.936 0.020 A 16 LEU HBx H 1 1.365 0.004 A 16 LEU HDx% H 1 0.678 0.020 A 16 LEU HDy% H 1 0.604 0.020 A 16 LEU HG H 1 1.195 0.020 A 16 LEU CA C 13 55.202 0.012 A 16 LEU CB C 13 41.471 0.040 A 16 LEU CDx C 13 24.569 0.200 A 16 LEU CDy C 13 25.553 0.200 A 16 LEU CG C 13 28.302 0.200 A 16 LEU N N 15 126.200 0.014 A 17 PHE H H 1 6.522 0.005 A 17 PHE HA H 1 4.858 0.001 A 17 PHE HBy H 1 2.935 0.002 A 17 PHE HBx H 1 2.809 0.009 A 17 PHE HDx H 1 6.777 0.002 A 17 PHE HDy H 1 6.777 0.002 A 17 PHE HEx H 1 6.802 0.020 A 17 PHE HEy H 1 6.802 0.020 A 17 PHE HZ H 1 7.032 0.002 A 17 PHE CA C 13 55.675 0.046 A 17 PHE CB C 13 41.329 0.056 A 17 PHE N N 15 113.650 0.032 A 18 LYS H H 1 8.648 0.006 A 18 LYS HA H 1 4.325 0.005 A 18 LYS HBy H 1 1.717 0.006 A 18 LYS HBx H 1 1.669 0.001 A 18 LYS HDx H 1 1.669 0.020 A 18 LYS HDy H 1 1.676 0.020 A 18 LYS HEy H 1 2.937 0.003 A 18 LYS HEx H 1 2.807 0.003 A 18 LYS HGy H 1 1.375 0.004 A 18 LYS HGx H 1 1.278 0.002 A 18 LYS CA C 13 54.442 0.028 A 18 LYS CB C 13 35.233 0.028 A 18 LYS CD C 13 27.593 0.019 A 18 LYS CE C 13 41.563 0.195 A 18 LYS CG C 13 24.469 0.068 A 18 LYS N N 15 120.586 0.016 A 19 ALA H H 1 8.396 0.006 A 19 ALA HA H 1 3.956 0.002 A 19 ALA HB% H 1 1.281 0.003 A 19 ALA CA C 13 54.151 0.038 A 19 ALA CB C 13 18.681 0.263 A 19 ALA N N 15 123.901 0.018 A 20 GLY H H 1 8.806 0.004 A 20 GLY HAy H 1 4.299 0.005 A 20 GLY HAx H 1 3.523 0.005 A 20 GLY CA C 13 45.190 0.048 A 20 GLY N N 15 112.460 0.021 A 21 ASP H H 1 7.923 0.006 A 21 ASP HA H 1 4.489 0.002 A 21 ASP HBy H 1 2.787 0.002 A 21 ASP HBx H 1 2.535 0.002 A 21 ASP CA C 13 55.477 0.054 A 21 ASP CB C 13 41.593 0.073 A 21 ASP N N 15 121.531 0.025 A 22 LYS H H 1 8.292 0.004 A 22 LYS HA H 1 4.861 0.004 A 22 LYS HBx H 1 1.736 0.012 A 22 LYS HBy H 1 1.738 0.011 A 22 LYS HDx H 1 1.608 0.004 A 22 LYS HDy H 1 1.613 0.020 A 22 LYS HEx H 1 2.907 0.002 A 22 LYS HEy H 1 2.907 0.002 A 22 LYS HGy H 1 1.493 0.002 A 22 LYS HGx H 1 1.369 0.004 A 22 LYS CA C 13 55.789 0.059 A 22 LYS CB C 13 31.948 0.025 A 22 LYS CD C 13 29.272 0.014 A 22 LYS CE C 13 42.492 0.006 A 22 LYS CG C 13 25.267 0.033 A 22 LYS N N 15 120.223 0.020 A 23 VAL H H 1 8.929 0.006 A 23 VAL HA H 1 4.828 0.003 A 23 VAL HB H 1 1.627 0.003 A 23 VAL HGx% H 1 0.575 0.003 A 23 VAL HGy% H 1 0.471 0.020 A 23 VAL CA C 13 58.619 0.026 A 23 VAL CB C 13 34.776 0.027 A 23 VAL CGy C 13 22.017 0.019 A 23 VAL CGx C 13 18.167 0.200 A 23 VAL N N 15 117.770 0.034 A 24 LYS H H 1 7.952 0.007 A 24 LYS HA H 1 4.828 0.005 A 24 LYS HBy H 1 1.723 0.006 A 24 LYS HBx H 1 1.555 0.003 A 24 LYS HDx H 1 1.587 0.001 A 24 LYS HDy H 1 1.591 0.001 A 24 LYS HEx H 1 2.931 0.011 A 24 LYS HEy H 1 2.937 0.005 A 24 LYS HGx H 1 1.380 0.010 A 24 LYS HGy H 1 1.381 0.009 A 24 LYS CA C 13 53.316 0.059 A 24 LYS CB C 13 35.370 0.042 A 24 LYS CD C 13 29.095 0.058 A 24 LYS CE C 13 41.831 0.065 A 24 LYS CG C 13 24.792 0.011 A 24 LYS N N 15 121.890 0.126 A 25 LYS H H 1 8.903 0.008 A 25 LYS HA H 1 3.152 0.002 A 25 LYS HBy H 1 1.676 0.005 A 25 LYS HBx H 1 1.522 0.004 A 25 LYS HDx H 1 1.652 0.002 A 25 LYS HEy H 1 2.698 0.008 A 25 LYS HEx H 1 2.657 0.006 A 25 LYS HGy H 1 1.127 0.003 A 25 LYS HGx H 1 1.074 0.003 A 25 LYS CA C 13 58.780 0.033 A 25 LYS CB C 13 32.788 0.044 A 25 LYS CD C 13 29.893 0.052 A 25 LYS CE C 13 41.109 0.063 A 25 LYS CG C 13 24.576 0.033 A 25 LYS N N 15 121.717 0.067 A 26 GLY H H 1 8.887 0.004 A 26 GLY HAy H 1 4.277 0.005 A 26 GLY HAx H 1 3.462 0.002 A 26 GLY CA C 13 45.387 0.031 A 26 GLY N N 15 115.271 0.024 A 27 GLN H H 1 8.423 0.004 A 27 GLN HA H 1 4.134 0.003 A 27 GLN HBy H 1 2.294 0.002 A 27 GLN HBx H 1 1.799 0.002 A 27 GLN HE2y H 1 7.917 0.001 A 27 GLN HE2x H 1 7.219 0.003 A 27 GLN HGy H 1 2.354 0.001 A 27 GLN HGx H 1 2.165 0.020 A 27 GLN CA C 13 56.461 0.035 A 27 GLN CB C 13 30.655 0.035 A 27 GLN CG C 13 33.002 0.026 A 27 GLN N N 15 123.160 0.044 A 27 GLN NE2 N 15 112.198 0.012 A 28 THR H H 1 9.094 0.009 A 28 THR HA H 1 3.884 0.003 A 28 THR HB H 1 3.972 0.004 A 28 THR HG2% H 1 1.061 0.003 A 28 THR CA C 13 66.017 0.070 A 28 THR CB C 13 68.577 0.049 A 28 THR CG2 C 13 23.675 0.022 A 28 THR N N 15 124.723 0.019 A 29 LEU H H 1 9.499 0.005 A 29 LEU HA H 1 4.373 0.003 A 29 LEU HBy H 1 1.520 0.006 A 29 LEU HBx H 1 1.015 0.005 A 29 LEU HDx% H 1 0.312 0.002 A 29 LEU HDy% H 1 0.281 0.003 A 29 LEU HG H 1 1.776 0.001 A 29 LEU CA C 13 55.960 0.041 A 29 LEU CB C 13 44.601 0.051 A 29 LEU CDy C 13 25.632 0.002 A 29 LEU CDx C 13 21.382 0.006 A 29 LEU CG C 13 26.279 0.015 A 29 LEU N N 15 125.894 0.027 A 30 PHE H H 1 7.572 0.005 A 30 PHE HA H 1 5.360 0.003 A 30 PHE HBy H 1 3.063 0.003 A 30 PHE HBx H 1 2.435 0.002 A 30 PHE HDx H 1 7.140 0.003 A 30 PHE HDy H 1 7.140 0.003 A 30 PHE HEx H 1 7.034 0.001 A 30 PHE HEy H 1 7.034 0.001 A 30 PHE HZ H 1 7.271 0.002 A 30 PHE CA C 13 55.655 0.045 A 30 PHE CB C 13 45.053 0.025 A 30 PHE N N 15 111.166 0.031 A 31 ILE H H 1 7.850 0.005 A 31 ILE HA H 1 4.808 0.004 A 31 ILE HB H 1 1.541 0.005 A 31 ILE HD1% H 1 0.753 0.001 A 31 ILE HG1y H 1 1.360 0.002 A 31 ILE HG1x H 1 1.006 0.002 A 31 ILE HG2% H 1 0.665 0.002 A 31 ILE CA C 13 60.159 0.038 A 31 ILE CB C 13 39.584 0.029 A 31 ILE CD1 C 13 12.250 0.089 A 31 ILE CG1 C 13 27.779 0.040 A 31 ILE CG2 C 13 17.760 0.028 A 31 ILE N N 15 119.419 0.046 A 32 ILE H H 1 9.095 0.006 A 32 ILE HA H 1 4.830 0.001 A 32 ILE HB H 1 1.257 0.007 A 32 ILE HD1% H 1 0.379 0.006 A 32 ILE HG1y H 1 1.194 0.020 A 32 ILE HG1x H 1 0.589 0.020 A 32 ILE HG2% H 1 0.351 0.008 A 32 ILE CA C 13 59.205 0.131 A 32 ILE CB C 13 42.206 0.013 A 32 ILE CD1 C 13 14.809 0.200 A 32 ILE CG1 C 13 28.806 0.018 A 32 ILE CG2 C 13 16.285 0.200 A 32 ILE N N 15 127.930 0.048 A 33 GLU H H 1 9.089 0.006 A 33 GLU HA H 1 4.674 0.010 A 33 GLU HBy H 1 1.996 0.006 A 33 GLU HBx H 1 1.743 0.004 A 33 GLU HGx H 1 2.290 0.158 A 33 GLU HGy H 1 2.290 0.158 A 33 GLU CA C 13 55.047 0.010 A 33 GLU CB C 13 31.851 0.066 A 33 GLU CG C 13 33.802 2.348 A 33 GLU N N 15 128.159 0.050 A 34 GLN H H 1 8.705 0.007 A 34 GLN HA H 1 4.362 0.004 A 34 GLN HBy H 1 2.051 0.002 A 34 GLN HBx H 1 1.941 0.011 A 34 GLN HE2y H 1 7.441 0.002 A 34 GLN HE2x H 1 6.815 0.003 A 34 GLN HGx H 1 2.305 0.004 A 34 GLN HGy H 1 2.306 0.004 A 34 GLN CA C 13 56.933 0.056 A 34 GLN CB C 13 30.273 0.066 A 34 GLN CG C 13 34.500 0.020 A 34 GLN N N 15 128.144 0.022 A 34 GLN NE2 N 15 111.211 0.018 A 35 ASP H H 1 8.488 0.005 A 35 ASP HA H 1 4.608 0.004 A 35 ASP HBy H 1 2.711 0.004 A 35 ASP HBx H 1 2.648 0.003 A 35 ASP CA C 13 54.124 0.073 A 35 ASP CB C 13 41.702 0.058 A 35 ASP N N 15 122.441 0.036 A 36 GLN H H 1 8.604 0.007 A 36 GLN HA H 1 4.021 0.002 A 36 GLN HBy H 1 2.055 0.003 A 36 GLN HBx H 1 1.934 0.005 A 36 GLN HE2y H 1 7.621 0.005 A 36 GLN HE2x H 1 6.820 0.002 A 36 GLN HGy H 1 2.323 0.001 A 36 GLN HGx H 1 2.268 0.013 A 36 GLN CA C 13 57.273 0.077 A 36 GLN CB C 13 29.266 0.038 A 36 GLN CG C 13 33.903 0.023 A 36 GLN N N 15 123.042 0.032 A 36 GLN NE2 N 15 113.065 0.031 A 37 ALA H H 1 8.313 0.005 A 37 ALA HA H 1 4.212 0.004 A 37 ALA HB% H 1 1.364 0.004 A 37 ALA CA C 13 53.708 0.024 A 37 ALA CB C 13 18.949 0.050 A 37 ALA N N 15 122.748 0.046 A 38 SER H H 1 7.949 0.005 A 38 SER HA H 1 4.285 0.011 A 38 SER HBy H 1 3.926 0.025 A 38 SER HBx H 1 3.853 0.018 A 38 SER CA C 13 59.468 0.063 A 38 SER CB C 13 63.874 0.094 A 38 SER N N 15 113.828 0.023 A 39 LYS H H 1 8.107 0.009 A 39 LYS HA H 1 4.124 0.008 A 39 LYS HBx H 1 1.720 0.006 A 39 LYS HBy H 1 1.720 0.006 A 39 LYS HDx H 1 1.571 0.003 A 39 LYS HDy H 1 1.571 0.003 A 39 LYS HEy H 1 2.885 0.020 A 39 LYS HEx H 1 2.884 0.001 A 39 LYS HGy H 1 1.353 0.005 A 39 LYS HGx H 1 1.288 0.003 A 39 LYS CA C 13 57.821 0.036 A 39 LYS CB C 13 32.978 0.070 A 39 LYS CD C 13 29.354 0.042 A 39 LYS CE C 13 42.505 0.043 A 39 LYS CG C 13 24.926 0.045 A 39 LYS N N 15 122.900 0.094 A 40 ASP H H 1 8.173 0.011 A 40 ASP HA H 1 4.477 0.008 A 40 ASP HBy H 1 2.631 0.003 A 40 ASP HBx H 1 2.534 0.005 A 40 ASP CA C 13 55.164 0.024 A 40 ASP CB C 13 41.359 0.025 A 40 ASP N N 15 119.696 0.032 A 41 PHE H H 1 8.022 0.006 A 41 PHE HA H 1 4.376 0.005 A 41 PHE HBx H 1 3.073 0.004 A 41 PHE HBy H 1 3.073 0.004 A 41 PHE HDx H 1 7.183 0.011 A 41 PHE HDy H 1 7.183 0.011 A 41 PHE CA C 13 59.354 0.038 A 41 PHE CB C 13 39.414 0.021 A 41 PHE N N 15 121.310 0.030 A 42 ASN H H 1 8.247 0.008 A 42 ASN HA H 1 4.483 0.015 A 42 ASN HBy H 1 2.734 0.004 A 42 ASN HBx H 1 2.697 0.006 A 42 ASN HD2y H 1 7.591 0.005 A 42 ASN HD2x H 1 6.870 0.002 A 42 ASN CA C 13 54.383 0.062 A 42 ASN CB C 13 38.853 0.067 A 42 ASN N N 15 119.282 0.079 A 42 ASN ND2 N 15 112.899 0.033 A 43 ARG H H 1 8.048 0.010 A 43 ARG HA H 1 4.130 0.009 A 43 ARG HBy H 1 1.837 0.005 A 43 ARG HBx H 1 1.753 0.002 A 43 ARG HDx H 1 3.116 0.001 A 43 ARG HDy H 1 3.116 0.001 A 43 ARG HGy H 1 1.590 0.002 A 43 ARG HGx H 1 1.540 0.001 A 43 ARG CA C 13 57.429 0.171 A 43 ARG CB C 13 30.503 0.112 A 43 ARG CD C 13 43.563 0.016 A 43 ARG CG C 13 27.526 0.032 A 43 ARG N N 15 121.050 0.143 A 44 SER H H 1 8.111 0.005 A 44 SER HA H 1 4.262 0.004 A 44 SER HBy H 1 3.888 0.047 A 44 SER HBx H 1 3.829 0.003 A 44 SER CA C 13 59.660 0.057 A 44 SER CB C 13 63.810 0.004 A 44 SER N N 15 115.587 0.039 A 45 LYS H H 1 7.968 0.010 A 45 LYS HA H 1 4.132 0.008 A 45 LYS HBx H 1 1.745 0.002 A 45 LYS HEx H 1 2.876 0.020 A 45 LYS HEy H 1 2.876 0.020 A 45 LYS CA C 13 57.193 0.041 A 45 LYS CB C 13 32.534 0.209 A 45 LYS CE C 13 42.257 0.200 A 45 LYS N N 15 122.205 0.196 A 46 ALA H H 1 7.936 0.006 A 46 ALA HA H 1 4.179 0.033 A 46 ALA HB% H 1 1.292 0.022 A 46 ALA CA C 13 53.196 0.033 A 46 ALA CB C 13 19.279 0.048 A 46 ALA N N 15 123.430 0.187 A 47 LEU H H 1 7.873 0.006 A 47 LEU HA H 1 4.147 0.008 A 47 LEU HBy H 1 1.468 0.003 A 47 LEU HBx H 1 1.328 0.001 A 47 LEU HDx% H 1 0.792 0.001 A 47 LEU HDy% H 1 0.738 0.001 A 47 LEU HG H 1 1.467 0.001 A 47 LEU CA C 13 55.854 0.049 A 47 LEU CB C 13 42.536 0.085 A 47 LEU CDy C 13 25.125 0.006 A 47 LEU CDx C 13 23.633 0.027 A 47 LEU CG C 13 27.224 0.022 A 47 LEU N N 15 119.760 0.143 A 48 PHE H H 1 7.960 0.005 A 48 PHE HA H 1 4.540 0.005 A 48 PHE HBy H 1 3.103 0.002 A 48 PHE HBx H 1 2.969 0.007 A 48 PHE HDx H 1 7.164 0.020 A 48 PHE HDy H 1 7.164 0.020 A 48 PHE CA C 13 58.150 0.009 A 48 PHE CB C 13 39.499 0.127 A 48 PHE N N 15 119.481 0.036 A 49 SER H H 1 8.011 0.004 A 49 SER HA H 1 4.333 0.020 A 49 SER CA C 13 58.675 0.033 A 49 SER N N 15 116.263 0.016 A 50 GLN H H 1 8.252 0.002 A 50 GLN HA H 1 4.250 0.020 A 50 GLN HBy H 1 2.087 0.020 A 50 GLN HBx H 1 1.951 0.020 A 50 GLN HE2y H 1 7.437 0.020 A 50 GLN HE2x H 1 6.775 0.020 A 50 GLN HGx H 1 2.306 0.020 A 50 GLN HGy H 1 2.306 0.020 A 50 GLN CA C 13 56.570 0.040 A 50 GLN CB C 13 29.372 0.200 A 50 GLN CG C 13 34.042 0.200 A 50 GLN N N 15 121.890 0.078 A 50 GLN NE2 N 15 112.121 0.006 A 51 SER H H 1 8.143 0.004 A 51 SER HA H 1 4.332 0.020 A 51 SER CA C 13 58.848 0.033 A 51 SER N N 15 115.677 0.004 A 52 ALA H H 1 8.168 0.004 A 52 ALA HA H 1 4.261 0.008 A 52 ALA HB% H 1 1.326 0.020 A 52 ALA CA C 13 53.119 0.007 A 52 ALA CB C 13 19.175 0.200 A 52 ALA N N 15 125.354 0.014 A 53 ILE H H 1 7.858 0.005 A 53 ILE HA H 1 4.094 0.001 A 53 ILE HB H 1 1.812 0.001 A 53 ILE HD1% H 1 0.781 0.020 A 53 ILE HG1y H 1 1.394 0.020 A 53 ILE HG1x H 1 1.116 0.020 A 53 ILE HG2% H 1 0.833 0.020 A 53 ILE CA C 13 61.666 0.043 A 53 ILE CB C 13 39.015 0.019 A 53 ILE CD1 C 13 13.263 0.200 A 53 ILE CG1 C 13 27.512 0.011 A 53 ILE CG2 C 13 17.721 0.200 A 53 ILE N N 15 118.218 0.012 A 54 SER H H 1 8.152 0.006 A 54 SER HA H 1 4.348 0.013 A 54 SER HBy H 1 3.817 0.005 A 54 SER HBx H 1 3.816 0.005 A 54 SER CA C 13 58.678 0.081 A 54 SER CB C 13 64.002 0.073 A 54 SER N N 15 118.590 0.017 A 55 GLN H H 1 8.298 0.005 A 55 GLN HA H 1 4.198 0.005 A 55 GLN HBy H 1 2.072 0.002 A 55 GLN HBx H 1 1.942 0.020 A 55 GLN HE2y H 1 7.522 0.004 A 55 GLN HE2x H 1 6.745 0.002 A 55 GLN HGx H 1 2.289 0.020 A 55 GLN HGy H 1 2.289 0.020 A 55 GLN CA C 13 56.690 0.020 A 55 GLN CB C 13 29.393 0.050 A 55 GLN CG C 13 34.006 0.200 A 55 GLN N N 15 122.154 0.011 A 55 GLN NE2 N 15 112.294 0.236 A 56 LYS H H 1 8.153 0.006 A 56 LYS HA H 1 4.161 0.012 A 56 LYS HBy H 1 1.682 0.007 A 56 LYS HBx H 1 1.681 0.007 A 56 LYS HGy H 1 1.331 0.004 A 56 LYS HGx H 1 1.328 0.003 A 56 LYS CA C 13 57.174 0.017 A 56 LYS CB C 13 32.991 0.015 A 56 LYS CG C 13 24.912 0.014 A 56 LYS N N 15 121.127 0.033 A 57 GLU H H 1 8.201 0.004 A 57 GLU HA H 1 4.151 0.010 A 57 GLU HBy H 1 1.921 0.001 A 57 GLU HBx H 1 1.851 0.004 A 57 GLU HGy H 1 2.142 0.002 A 57 GLU HGx H 1 2.127 0.009 A 57 GLU CA C 13 57.273 0.022 A 57 GLU CB C 13 30.262 0.049 A 57 GLU CG C 13 36.575 0.009 A 57 GLU N N 15 120.626 0.029 A 58 TYR H H 1 8.057 0.004 A 58 TYR HA H 1 4.375 0.003 A 58 TYR HBy H 1 2.942 0.005 A 58 TYR HBx H 1 2.890 0.006 A 58 TYR HDx H 1 7.003 0.002 A 58 TYR HDy H 1 7.003 0.002 A 58 TYR HEx H 1 6.711 0.005 A 58 TYR HEy H 1 6.711 0.005 A 58 TYR CA C 13 58.721 0.062 A 58 TYR CB C 13 39.096 0.044 A 58 TYR N N 15 120.841 0.024 A 59 ASP H H 1 8.144 0.005 A 59 ASP HA H 1 4.493 0.004 A 59 ASP HBy H 1 2.649 0.004 A 59 ASP HBx H 1 2.543 0.006 A 59 ASP CA C 13 54.505 0.027 A 59 ASP CB C 13 41.233 0.005 A 59 ASP N N 15 122.549 0.035 A 60 SER H H 1 8.245 0.009 A 60 SER HA H 1 4.255 0.020 A 60 SER CA C 13 59.650 0.079 A 60 SER N N 15 117.646 0.013 A 61 SER H H 1 8.329 0.014 A 61 SER HA H 1 4.307 0.002 A 61 SER HBx H 1 3.820 0.002 A 61 SER HBy H 1 3.855 0.001 A 61 SER CA C 13 59.882 0.040 A 61 SER CB C 13 63.888 0.033 A 61 SER N N 15 118.138 0.010 A 62 LEU H H 1 7.753 0.005 A 62 LEU HA H 1 4.227 0.005 A 62 LEU HBy H 1 1.574 0.006 A 62 LEU HBx H 1 1.512 0.002 A 62 LEU HDx% H 1 0.824 0.020 A 62 LEU HDy% H 1 0.773 0.001 A 62 LEU HG H 1 1.519 0.001 A 62 LEU CA C 13 55.640 0.033 A 62 LEU CB C 13 42.389 0.059 A 62 LEU CDy C 13 25.374 0.024 A 62 LEU CDx C 13 23.699 0.069 A 62 LEU CG C 13 27.167 0.018 A 62 LEU N N 15 122.616 0.031 A 63 ALA H H 1 7.908 0.008 A 63 ALA HA H 1 4.266 0.005 A 63 ALA HB% H 1 1.334 0.004 A 63 ALA CA C 13 53.071 0.084 A 63 ALA CB C 13 19.373 0.025 A 63 ALA N N 15 123.326 0.014 A 64 THR H H 1 7.855 0.007 A 64 THR HA H 1 4.212 0.002 A 64 THR HB H 1 4.164 0.002 A 64 THR HG2% H 1 1.103 0.002 A 64 THR CA C 13 61.955 0.090 A 64 THR CB C 13 69.997 0.059 A 64 THR CG2 C 13 21.834 0.200 A 64 THR N N 15 112.019 0.007 A 65 LEU H H 1 7.970 0.006 A 65 LEU HA H 1 4.290 0.007 A 65 LEU HBy H 1 1.545 0.003 A 65 LEU HBx H 1 1.418 0.006 A 65 LEU HDx% H 1 0.824 0.020 A 65 LEU HDy% H 1 0.769 0.003 A 65 LEU HG H 1 1.536 0.020 A 65 LEU CA C 13 55.509 0.086 A 65 LEU CB C 13 42.619 0.047 A 65 LEU CDy C 13 25.249 0.200 A 65 LEU CDx C 13 23.886 0.200 A 65 LEU CG C 13 27.247 0.200 A 65 LEU N N 15 123.564 0.012 A 66 ASP H H 1 8.271 0.005 A 66 ASP HA H 1 4.538 0.003 A 66 ASP HBy H 1 2.627 0.004 A 66 ASP HBx H 1 2.490 0.008 A 66 ASP CA C 13 54.906 0.045 A 66 ASP CB C 13 41.384 0.200 A 66 ASP N N 15 120.385 0.016 A 67 HIS H H 1 8.020 0.008 A 67 HIS HA H 1 5.236 0.003 A 67 HIS HBy H 1 2.953 0.006 A 67 HIS HBx H 1 2.934 0.006 A 67 HIS HD2 H 1 6.771 0.005 A 67 HIS HE1 H 1 7.918 0.001 A 67 HIS CA C 13 55.411 0.036 A 67 HIS CB C 13 32.135 0.048 A 67 HIS N N 15 119.214 0.043 A 68 THR H H 1 8.903 0.006 A 68 THR HA H 1 4.474 0.002 A 68 THR HB H 1 3.820 0.003 A 68 THR HG2% H 1 1.040 0.020 A 68 THR CA C 13 62.536 0.042 A 68 THR CB C 13 71.267 0.048 A 68 THR CG2 C 13 21.584 0.200 A 68 THR N N 15 117.138 0.018 A 69 GLU H H 1 8.630 0.008 A 69 GLU HA H 1 4.480 0.020 A 69 GLU HBy H 1 1.938 0.004 A 69 GLU HBx H 1 1.884 0.011 A 69 GLU HGx H 1 2.305 0.016 A 69 GLU HGy H 1 2.305 0.016 A 69 GLU CA C 13 56.016 0.045 A 69 GLU CB C 13 31.824 0.077 A 69 GLU CG C 13 37.260 0.200 A 69 GLU N N 15 124.226 0.036 A 70 ILE H H 1 8.589 0.006 A 70 ILE HA H 1 4.405 0.006 A 70 ILE HB H 1 2.072 0.005 A 70 ILE HD1% H 1 0.635 0.020 A 70 ILE HG1y H 1 1.360 0.020 A 70 ILE HG1x H 1 1.133 0.020 A 70 ILE HG2% H 1 0.843 0.020 A 70 ILE CA C 13 59.367 0.086 A 70 ILE CB C 13 37.492 0.140 A 70 ILE CD1 C 13 11.791 0.200 A 70 ILE CG1 C 13 26.631 0.027 A 70 ILE CG2 C 13 17.207 0.200 A 70 ILE N N 15 123.526 0.015 A 71 LYS H H 1 8.910 0.011 A 71 LYS HA H 1 5.070 0.002 A 71 LYS HBy H 1 1.508 0.009 A 71 LYS HBx H 1 1.190 0.020 A 71 LYS HEy H 1 2.911 0.002 A 71 LYS HEx H 1 2.803 0.002 A 71 LYS CA C 13 54.732 0.041 A 71 LYS CB C 13 36.388 0.039 A 71 LYS CE C 13 42.876 0.102 A 71 LYS N N 15 128.313 0.036 A 72 ALA H H 1 8.623 0.007 A 72 ALA HA H 1 4.060 0.002 A 72 ALA HB% H 1 1.236 0.004 A 72 ALA CA C 13 50.119 0.020 A 72 ALA CB C 13 17.261 0.022 A 72 ALA N N 15 123.091 0.028 A 73 PRO HA H 1 4.328 0.004 A 73 PRO HBy H 1 2.065 0.008 A 73 PRO HBx H 1 1.649 0.003 A 73 PRO HDy H 1 3.609 0.002 A 73 PRO HDx H 1 3.037 0.002 A 73 PRO HGy H 1 1.648 0.020 A 73 PRO HGx H 1 0.825 0.011 A 73 PRO CA C 13 63.731 0.012 A 73 PRO CB C 13 32.196 0.047 A 73 PRO CD C 13 50.956 0.059 A 73 PRO CG C 13 26.361 0.097 A 74 PHE H H 1 6.758 0.005 A 74 PHE HA H 1 4.414 0.004 A 74 PHE HBy H 1 3.357 0.002 A 74 PHE HBx H 1 3.001 0.004 A 74 PHE HDx H 1 6.974 0.008 A 74 PHE HDy H 1 6.974 0.008 A 74 PHE HEx H 1 7.010 0.001 A 74 PHE HEy H 1 7.010 0.001 A 74 PHE CA C 13 54.539 0.052 A 74 PHE CB C 13 40.862 0.041 A 74 PHE N N 15 112.045 0.009 A 75 ASP H H 1 8.563 0.007 A 75 ASP HA H 1 4.915 0.003 A 75 ASP HBy H 1 2.707 0.006 A 75 ASP HBx H 1 2.647 0.007 A 75 ASP CA C 13 54.108 0.062 A 75 ASP CB C 13 41.011 0.052 A 75 ASP N N 15 118.284 0.029 A 76 GLY H H 1 8.340 0.007 A 76 GLY HAy H 1 4.228 0.003 A 76 GLY HAx H 1 4.070 0.004 A 76 GLY CA C 13 46.761 0.042 A 76 GLY N N 15 108.739 0.020 A 77 THR H H 1 8.607 0.008 A 77 THR HA H 1 4.966 0.002 A 77 THR HB H 1 3.799 0.009 A 77 THR HG2% H 1 1.040 0.020 A 77 THR CA C 13 61.891 0.061 A 77 THR CB C 13 70.413 0.115 A 77 THR CG2 C 13 21.789 0.200 A 77 THR N N 15 116.423 0.031 A 78 ILE H H 1 8.815 0.005 A 78 ILE HA H 1 4.656 0.020 A 78 ILE HB H 1 1.186 0.004 A 78 ILE HD1% H 1 -0.268 0.004 A 78 ILE HG1y H 1 1.137 0.020 A 78 ILE HG1x H 1 1.005 0.020 A 78 ILE HG2% H 1 1.020 0.001 A 78 ILE CA C 13 60.214 0.058 A 78 ILE CB C 13 43.110 0.015 A 78 ILE CD1 C 13 16.100 0.200 A 78 ILE CG1 C 13 30.361 0.003 A 78 ILE CG2 C 13 18.498 0.200 A 78 ILE N N 15 129.313 0.027 A 79 GLY H H 1 8.052 0.006 A 79 GLY HAy H 1 4.394 0.003 A 79 GLY HAx H 1 3.765 0.003 A 79 GLY CA C 13 44.297 0.025 A 79 GLY N N 15 114.522 0.018 A 80 ASP H H 1 7.792 0.005 A 80 ASP HA H 1 4.706 0.020 A 80 ASP HBy H 1 2.582 0.005 A 80 ASP HBx H 1 2.400 0.002 A 80 ASP CA C 13 53.784 0.005 A 80 ASP CB C 13 42.062 0.058 A 80 ASP N N 15 113.706 0.030 A 81 ALA H H 1 8.552 0.006 A 81 ALA HA H 1 4.567 0.006 A 81 ALA HB% H 1 1.754 0.004 A 81 ALA CA C 13 53.345 0.135 A 81 ALA CB C 13 20.325 0.011 A 81 ALA N N 15 124.168 0.016 A 82 LEU H H 1 8.734 0.007 A 82 LEU HA H 1 4.338 0.004 A 82 LEU HBy H 1 1.683 0.003 A 82 LEU HBx H 1 1.644 0.002 A 82 LEU HDx% H 1 0.714 0.001 A 82 LEU HDy% H 1 0.812 0.020 A 82 LEU CA C 13 55.320 0.025 A 82 LEU CB C 13 41.616 0.021 A 82 LEU CDy C 13 25.184 0.200 A 82 LEU CDx C 13 22.396 0.200 A 82 LEU N N 15 121.830 0.037 A 83 VAL H H 1 7.136 0.007 A 83 VAL HA H 1 4.489 0.008 A 83 VAL HB H 1 2.129 0.007 A 83 VAL HGx% H 1 0.827 0.007 A 83 VAL HGy% H 1 0.519 0.003 A 83 VAL CA C 13 58.552 0.037 A 83 VAL CB C 13 35.418 0.014 A 83 VAL CGy C 13 22.115 0.012 A 83 VAL CGx C 13 18.913 0.015 A 83 VAL N N 15 108.193 0.016 A 84 ASN H H 1 9.073 0.003 A 84 ASN HA H 1 4.872 0.008 A 84 ASN HBy H 1 2.654 0.003 A 84 ASN HBx H 1 2.530 0.006 A 84 ASN HD2y H 1 7.949 0.002 A 84 ASN HD2x H 1 6.896 0.002 A 84 ASN CA C 13 51.417 0.039 A 84 ASN CB C 13 42.127 0.113 A 84 ASN N N 15 119.533 0.024 A 84 ASN ND2 N 15 115.503 0.021 A 85 ILE H H 1 8.390 0.007 A 85 ILE HA H 1 3.384 0.002 A 85 ILE HB H 1 1.655 0.004 A 85 ILE HD1% H 1 0.891 0.020 A 85 ILE HG1y H 1 1.570 0.020 A 85 ILE HG1x H 1 0.868 0.020 A 85 ILE HG2% H 1 0.804 0.020 A 85 ILE CA C 13 63.985 0.048 A 85 ILE CB C 13 37.368 0.065 A 85 ILE CD1 C 13 13.061 0.200 A 85 ILE CG1 C 13 28.856 0.014 A 85 ILE CG2 C 13 17.400 0.200 A 85 ILE N N 15 119.414 0.022 A 86 GLY H H 1 9.229 0.005 A 86 GLY HAy H 1 4.392 0.006 A 86 GLY HAx H 1 3.412 0.010 A 86 GLY CA C 13 44.946 0.052 A 86 GLY N N 15 117.337 0.021 A 87 ASP H H 1 7.956 0.010 A 87 ASP HA H 1 4.599 0.020 A 87 ASP HBy H 1 2.791 0.002 A 87 ASP HBx H 1 2.466 0.003 A 87 ASP CA C 13 55.055 0.046 A 87 ASP CB C 13 40.978 0.109 A 87 ASP N N 15 121.511 0.031 A 88 TYR H H 1 8.545 0.011 A 88 TYR HA H 1 4.718 0.004 A 88 TYR HBx H 1 2.836 0.004 A 88 TYR HBy H 1 2.836 0.004 A 88 TYR HDx H 1 6.819 0.007 A 88 TYR HDy H 1 6.819 0.007 A 88 TYR HEx H 1 6.706 0.003 A 88 TYR HEy H 1 6.706 0.003 A 88 TYR CA C 13 57.954 0.054 A 88 TYR CB C 13 39.411 0.046 A 88 TYR N N 15 122.327 0.027 A 89 VAL H H 1 8.937 0.004 A 89 VAL HA H 1 4.565 0.006 A 89 VAL HB H 1 1.711 0.002 A 89 VAL HGx% H 1 0.665 0.001 A 89 VAL HGy% H 1 0.529 0.003 A 89 VAL CA C 13 58.580 0.060 A 89 VAL CB C 13 34.504 0.030 A 89 VAL CGy C 13 22.475 0.010 A 89 VAL CGx C 13 18.654 0.067 A 89 VAL N N 15 121.838 0.030 A 90 SER H H 1 8.761 0.008 A 90 SER HA H 1 4.562 0.002 A 90 SER HBy H 1 3.688 0.005 A 90 SER HBx H 1 3.531 0.012 A 90 SER CA C 13 56.974 0.022 A 90 SER CB C 13 65.027 0.074 A 90 SER N N 15 114.806 0.021 A 91 ALA H H 1 8.692 0.005 A 91 ALA HA H 1 3.505 0.001 A 91 ALA HB% H 1 1.061 0.002 A 91 ALA CA C 13 53.471 0.031 A 91 ALA CB C 13 18.719 0.009 A 91 ALA N N 15 129.873 0.031 A 92 SER H H 1 9.156 0.005 A 92 SER HA H 1 3.804 0.005 A 92 SER HBy H 1 3.989 0.006 A 92 SER HBx H 1 3.982 0.003 A 92 SER CA C 13 60.827 0.067 A 92 SER CB C 13 62.630 0.048 A 92 SER N N 15 113.297 0.025 A 93 THR H H 1 7.806 0.003 A 93 THR HA H 1 4.387 0.004 A 93 THR HB H 1 3.732 0.002 A 93 THR HG2% H 1 1.095 0.020 A 93 THR CA C 13 64.607 0.213 A 93 THR CB C 13 71.127 0.039 A 93 THR CG2 C 13 20.697 0.200 A 93 THR N N 15 113.896 0.038 A 94 THR H H 1 7.691 0.003 A 94 THR HA H 1 3.899 0.001 A 94 THR HB H 1 3.498 0.004 A 94 THR HG2% H 1 1.112 0.020 A 94 THR CA C 13 65.258 0.048 A 94 THR CB C 13 70.283 0.054 A 94 THR CG2 C 13 22.840 0.200 A 94 THR N N 15 119.603 0.021 A 95 GLU H H 1 8.389 0.006 A 95 GLU HA H 1 3.793 0.002 A 95 GLU HBy H 1 1.896 0.018 A 95 GLU HBx H 1 1.569 0.007 A 95 GLU HGy H 1 2.429 0.020 A 95 GLU HGx H 1 1.837 0.002 A 95 GLU CA C 13 56.783 0.041 A 95 GLU CB C 13 29.777 0.075 A 95 GLU CG C 13 37.251 0.008 A 95 GLU N N 15 124.816 0.039 A 96 LEU H H 1 8.735 0.005 A 96 LEU HA H 1 4.249 0.004 A 96 LEU HBy H 1 1.544 0.006 A 96 LEU HBx H 1 1.076 0.008 A 96 LEU HDx% H 1 0.249 0.002 A 96 LEU HDy% H 1 0.236 0.003 A 96 LEU HG H 1 1.647 0.020 A 96 LEU CA C 13 57.071 0.071 A 96 LEU CB C 13 43.517 0.111 A 96 LEU CDy C 13 26.387 0.200 A 96 LEU CDx C 13 23.822 0.007 A 96 LEU CG C 13 26.405 0.200 A 96 LEU N N 15 120.104 0.029 A 97 VAL H H 1 7.049 0.006 A 97 VAL HA H 1 4.334 0.003 A 97 VAL HB H 1 2.782 0.005 A 97 VAL HGx% H 1 0.917 0.001 A 97 VAL HGy% H 1 0.571 0.002 A 97 VAL CA C 13 61.411 0.062 A 97 VAL CB C 13 31.724 0.014 A 97 VAL CGy C 13 22.470 0.200 A 97 VAL CGx C 13 19.801 0.200 A 97 VAL N N 15 112.399 0.022 A 98 ARG H H 1 8.968 0.006 A 98 ARG HA H 1 5.255 0.009 A 98 ARG HBy H 1 1.688 0.009 A 98 ARG HBx H 1 1.601 0.006 A 98 ARG HDy H 1 3.117 0.020 A 98 ARG HDx H 1 3.066 0.020 A 98 ARG HGy H 1 1.458 0.001 A 98 ARG HGx H 1 1.304 0.002 A 98 ARG CA C 13 55.391 0.055 A 98 ARG CB C 13 32.925 0.042 A 98 ARG CD C 13 43.594 0.077 A 98 ARG CG C 13 28.388 0.023 A 98 ARG N N 15 127.489 0.024 A 99 VAL H H 1 8.884 0.010 A 99 VAL HA H 1 4.554 0.007 A 99 VAL HB H 1 1.633 0.002 A 99 VAL HGx% H 1 0.536 0.006 A 99 VAL CA C 13 60.996 0.079 A 99 VAL CB C 13 34.358 0.079 A 99 VAL CGx C 13 21.533 0.098 A 99 VAL N N 15 122.863 0.020 A 100 THR H H 1 8.823 0.005 A 100 THR HA H 1 4.552 0.003 A 100 THR HB H 1 3.989 0.004 A 100 THR HG2% H 1 1.180 0.001 A 100 THR CA C 13 61.105 0.094 A 100 THR CB C 13 70.859 0.061 A 100 THR CG2 C 13 21.285 0.017 A 100 THR N N 15 121.813 0.012 A 101 ASN H H 1 8.146 0.005 A 101 ASN HA H 1 4.505 0.006 A 101 ASN HBy H 1 2.409 0.009 A 101 ASN HBx H 1 2.396 0.008 A 101 ASN HD2y H 1 7.085 0.002 A 101 ASN HD2x H 1 6.319 0.002 A 101 ASN CA C 13 54.283 0.063 A 101 ASN CB C 13 38.631 0.021 A 101 ASN N N 15 122.582 0.011 A 101 ASN ND2 N 15 111.990 0.019 A 102 LEU H H 1 8.154 0.006 A 102 LEU HA H 1 4.236 0.020 A 102 LEU HBx H 1 1.458 0.020 A 102 LEU HBy H 1 1.458 0.020 A 102 LEU HDx% H 1 0.783 0.020 A 102 LEU HDy% H 1 0.741 0.020 A 102 LEU HG H 1 1.497 0.020 A 102 LEU CA C 13 55.618 0.018 A 102 LEU CB C 13 42.842 0.200 A 102 LEU CDy C 13 25.269 0.200 A 102 LEU CDx C 13 23.867 0.200 A 102 LEU CG C 13 27.162 0.200 A 102 LEU N N 15 122.572 0.009 A 103 ASN H H 1 8.393 0.010 A 103 ASN HA H 1 4.862 0.004 A 103 ASN HBy H 1 2.722 0.003 A 103 ASN HBx H 1 2.571 0.001 A 103 ASN HD2y H 1 7.561 0.001 A 103 ASN HD2x H 1 6.856 0.002 A 103 ASN CA C 13 51.431 0.035 A 103 ASN CB C 13 39.172 0.020 A 103 ASN N N 15 120.155 0.013 A 103 ASN ND2 N 15 113.037 0.039 A 104 PRO HA H 1 4.224 0.004 A 104 PRO HBy H 1 2.070 0.002 A 104 PRO HBx H 1 1.647 0.020 A 104 PRO HDy H 1 3.682 0.001 A 104 PRO HDx H 1 3.594 0.003 A 104 PRO HGx H 1 1.875 0.001 A 104 PRO HGy H 1 1.875 0.001 A 104 PRO CA C 13 63.636 0.044 A 104 PRO CB C 13 32.301 0.044 A 104 PRO CD C 13 50.921 0.040 A 104 PRO CG C 13 27.417 0.001 A 105 ILE H H 1 7.870 0.005 A 105 ILE HA H 1 3.934 0.002 A 105 ILE HB H 1 1.597 0.001 A 105 ILE HD1% H 1 0.667 0.001 A 105 ILE HG1y H 1 1.167 0.020 A 105 ILE HG1x H 1 0.940 0.001 A 105 ILE HG2% H 1 0.627 0.001 A 105 ILE CA C 13 61.566 0.039 A 105 ILE CB C 13 38.723 0.023 A 105 ILE CD1 C 13 13.079 0.010 A 105 ILE CG1 C 13 27.319 0.023 A 105 ILE CG2 C 13 17.472 0.006 A 105 ILE N N 15 119.425 0.033 A 106 TYR H H 1 7.945 0.008 A 106 TYR HA H 1 4.529 0.010 A 106 TYR HBy H 1 2.976 0.010 A 106 TYR HBx H 1 2.741 0.009 A 106 TYR HDx H 1 6.973 0.002 A 106 TYR HDy H 1 6.973 0.002 A 106 TYR HEx H 1 6.680 0.001 A 106 TYR HEy H 1 6.680 0.001 A 106 TYR CA C 13 57.548 0.072 A 106 TYR CB C 13 39.048 0.121 A 106 TYR N N 15 123.138 0.012 A 107 ALA H H 1 8.113 0.007 A 107 ALA HA H 1 4.213 0.020 A 107 ALA HB% H 1 1.273 0.003 A 107 ALA CA C 13 52.847 0.055 A 107 ALA CB C 13 19.450 0.129 A 107 ALA N N 15 125.476 0.106 A 108 ASP H H 1 8.140 0.007 A 108 ASP HA H 1 4.502 0.011 A 108 ASP HBy H 1 2.631 0.006 A 108 ASP HBx H 1 2.548 0.003 A 108 ASP CA C 13 54.515 0.096 A 108 ASP CB C 13 41.436 0.046 A 108 ASP N N 15 119.275 0.055 A 109 GLY H H 1 8.304 0.006 A 109 GLY HAy H 1 3.930 0.020 A 109 GLY HAx H 1 3.844 0.020 A 109 GLY CA C 13 45.809 0.040 A 109 GLY N N 15 109.463 0.013 A 110 SER H H 1 8.169 0.011 A 110 SER HA H 1 4.263 0.020 A 110 SER CA C 13 59.017 0.005 A 110 SER N N 15 115.630 0.007 A 111 HIS HA H 1 4.522 0.002 A 111 HIS HBy H 1 3.048 0.004 A 111 HIS HBx H 1 2.974 0.002 A 111 HIS CA C 13 56.269 0.089 A 111 HIS CB C 13 30.558 0.015 A 112 HIS HA H 1 4.341 0.001 A 112 HIS HBy H 1 3.107 0.005 A 112 HIS HBx H 1 2.971 0.004 A 112 HIS CA C 13 57.660 0.057 A 112 HIS CB C 13 30.739 0.057 stop_ save_ save_AMBER_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode AMBER_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 VAL H A 100 THR HB 1.0 1.8 5.36 2 2 A 2 VAL HA A 2 VAL HB 1.0 1.8 3.31 3 3 A 2 VAL HA A 2 VAL HGx% 1.0 1.8 5.11 4 4 A 2 VAL HA A 3 ILE H 1.0 1.8 3.40 5 5 A 2 VAL HB A 100 THR HA 1.0 1.8 5.56 6 6 A 100 THR HB A 2 VAL HB 1.0 1.8 6.00 7 7 A 2 VAL HB A 3 ILE H 1.0 1.8 4.42 8 8 A 2 VAL HB A 98 ARG HA 1.0 1.8 6.00 9 9 A 2 VAL HB A 99 VAL H 1.0 1.8 5.39 10 10 A 3 ILE H A 2 VAL HGy% 1.0 1.8 5.41 11 11 A 2 VAL HGy% A 4 ILE HA 1.0 1.8 5.74 12 12 A 99 VAL H A 2 VAL HGy% 1.0 1.8 5.34 13 13 A 3 ILE H A 3 ILE HB 1.0 1.8 3.89 14 14 A 3 ILE H A 3 ILE HG1y 1.0 1.8 4.74 15 15 A 3 ILE H A 3 ILE HD1% 1.0 1.8 5.77 16 16 A 3 ILE HG1y A 3 ILE HA 1.0 1.8 4.42 17 17 A 3 ILE HA A 3 ILE HG1x 1.0 1.8 4.66 18 18 A 3 ILE HD1% A 3 ILE HA 1.0 1.8 5.47 19 19 A 3 ILE HA A 3 ILE HG2% 1.0 1.8 5.08 20 20 A 3 ILE HA A 4 ILE H 1.0 1.8 3.94 21 21 A 98 ARG HA A 3 ILE HA 1.0 1.8 3.38 22 22 A 3 ILE HA A 98 ARG HDx 1.0 1.8 6.00 23 23 A 99 VAL H A 3 ILE HA 1.0 1.8 4.58 24 24 A 3 ILE HB A 5 LYS HEx 1.0 1.8 5.10 25 25 A 98 ARG HA A 3 ILE HB 1.0 1.8 5.79 26 26 A 98 ARG HA A 3 ILE HG1x 1.0 1.8 5.02 27 27 A 3 ILE HD1% A 4 ILE H 1.0 1.8 6.32 28 28 A 98 ARG HA A 3 ILE HD1% 1.0 1.8 5.93 29 29 A 3 ILE HD1% A 98 ARG HBy 1.0 1.8 4.90 30 30 A 3 ILE HD1% A 98 ARG HBx 1.0 1.8 6.30 31 31 A 3 ILE HD1% A 98 ARG HDy 1.0 1.8 6.52 32 32 A 3 ILE HD1% A 98 ARG HDx 1.0 1.8 6.20 33 33 A 99 VAL H A 3 ILE HD1% 1.0 1.8 6.70 34 34 A 3 ILE HG2% A 4 ILE H 1.0 1.8 5.77 35 35 A 3 ILE HG2% A 5 LYS HEx 1.0 1.8 5.22 36 36 A 3 ILE HG2% A 95 GLU HA 1.0 1.8 4.97 37 37 A 3 ILE HG2% A 95 GLU HGy 1.0 1.8 5.62 38 38 A 3 ILE HG2% A 95 GLU HGx 1.0 1.8 5.41 39 39 A 3 ILE HG2% A 96 LEU H 1.0 1.8 5.95 40 40 A 3 ILE HG2% A 97 VAL H 1.0 1.8 5.81 41 41 A 98 ARG HA A 3 ILE HG2% 1.0 1.8 5.54 42 42 A 4 ILE H A 4 ILE HB 1.0 1.8 4.19 43 43 A 4 ILE H A 4 ILE HG1y 1.0 1.8 5.32 44 44 A 4 ILE H A 4 ILE HG1x 1.0 1.8 4.76 45 45 A 4 ILE H A 5 LYS H 1.0 1.8 5.45 46 46 A 4 ILE H A 97 VAL H 1.0 1.8 5.19 47 47 A 4 ILE H A 97 VAL HGy% 1.0 1.8 7.11 48 48 A 98 ARG HA A 4 ILE H 1.0 1.8 4.71 49 49 A 4 ILE H A 98 ARG HBx 1.0 1.8 6.00 50 50 A 4 ILE HA A 4 ILE HG1x 1.0 1.8 4.69 51 51 A 4 ILE HA A 4 ILE HD1% 1.0 1.8 5.45 52 52 A 4 ILE HA A 4 ILE HG2% 1.0 1.8 4.73 53 53 A 4 ILE HA A 5 LYS H 1.0 1.8 3.57 54 54 A 4 ILE HA A 5 LYS HA 1.0 1.8 5.57 55 55 A 4 ILE HA A 5 LYS HEx 1.0 1.8 6.00 56 56 A 4 ILE HA A 73 PRO HDx 1.0 1.8 5.74 57 57 A 4 ILE HA A 97 VAL H 1.0 1.8 6.00 58 58 A 4 ILE HB A 4 ILE HD1% 1.0 1.8 5.57 59 59 A 4 ILE HB A 5 LYS H 1.0 1.8 5.33 60 60 A 4 ILE HB A 96 LEU HDx% 1.0 1.8 6.18 61 61 A 97 VAL H A 4 ILE HB 1.0 1.8 4.77 62 62 A 4 ILE HG1y A 30 PHE HEy 1.0 1.8 6.48 63 62 A 4 ILE HG1y A 30 PHE HEx 1.0 1.8 6.48 64 63 A 4 ILE HG1y A 5 LYS H 1.0 1.8 5.86 65 64 A 4 ILE HG1y A 72 ALA HA 1.0 1.8 4.25 66 65 A 4 ILE HG1x A 5 LYS H 1.0 1.8 5.49 67 66 A 4 ILE HG1x A 73 PRO HDy 1.0 1.8 6.00 68 67 A 4 ILE HG1x A 73 PRO HDx 1.0 1.8 6.00 69 68 A 4 ILE HD1% A 29 LEU HDx% 1.0 1.8 5.92 70 69 A 4 ILE HD1% A 30 PHE HEy 1.0 1.8 7.25 71 69 A 4 ILE HD1% A 30 PHE HEx 1.0 1.8 7.25 72 70 A 5 LYS H A 4 ILE HD1% 1.0 1.8 6.99 73 71 A 4 ILE HD1% A 5 LYS HA 1.0 1.8 5.21 74 72 A 4 ILE HD1% A 72 ALA HA 1.0 1.8 5.14 75 73 A 4 ILE HD1% A 73 PRO HDx 1.0 1.8 5.57 76 74 A 4 ILE HG2% A 30 PHE HDx 1.0 1.8 7.54 77 74 A 4 ILE HG2% A 30 PHE HDy 1.0 1.8 7.54 78 75 A 4 ILE HG2% A 30 PHE HEy 1.0 1.8 6.77 79 75 A 4 ILE HG2% A 30 PHE HEx 1.0 1.8 6.77 80 76 A 4 ILE HG1y A 4 ILE HG2% 1.0 1.8 5.48 81 77 A 4 ILE HD1% A 4 ILE HG2% 1.0 1.8 5.19 82 78 A 5 LYS H A 4 ILE HG2% 1.0 1.8 5.24 83 79 A 4 ILE HG2% A 5 LYS HA 1.0 1.8 6.08 84 80 A 4 ILE HG2% A 5 LYS HBy 1.0 1.8 6.40 85 81 A 4 ILE HG2% A 6 PRO HDy 1.0 1.8 7.11 86 82 A 4 ILE HG2% A 73 PRO HDy 1.0 1.8 7.11 87 83 A 4 ILE HG2% A 73 PRO HDx 1.0 1.8 7.11 88 84 A 4 ILE HG2% A 96 LEU HDx% 1.0 1.8 6.02 89 85 A 97 VAL H A 4 ILE HG2% 1.0 1.8 5.39 90 86 A 5 LYS H A 5 LYS HBx 1.0 1.8 4.38 91 87 A 5 LYS H A 5 LYS HDy 1.0 1.8 5.89 92 88 A 5 LYS H A 5 LYS HGy 1.0 1.8 5.03 93 89 A 5 LYS H A 5 LYS HGx 1.0 1.8 6.00 94 90 A 5 LYS H A 96 LEU HDx% 1.0 1.8 7.11 95 91 A 5 LYS HA A 5 LYS HDy 1.0 1.8 5.43 96 92 A 5 LYS HA A 5 LYS HDx 1.0 1.8 5.27 97 93 A 5 LYS HEx A 5 LYS HA 1.0 1.8 5.40 98 94 A 5 LYS HA A 5 LYS HGy 1.0 1.8 4.52 99 95 A 5 LYS HA A 5 LYS HGx 1.0 1.8 4.27 100 96 A 5 LYS HA A 6 PRO HBy 1.0 1.8 6.00 101 97 A 5 LYS HA A 6 PRO HBx 1.0 1.8 5.52 102 98 A 5 LYS HA A 6 PRO HDy 1.0 1.8 3.83 103 99 A 5 LYS HA A 6 PRO HDx 1.0 1.8 3.97 104 100 A 5 LYS HA A 6 PRO HGy 1.0 1.8 5.24 105 101 A 5 LYS HA A 6 PRO HGx 1.0 1.8 4.81 106 102 A 5 LYS HA A 91 ALA HA 1.0 1.8 6.00 107 103 A 5 LYS HA A 92 SER HA 1.0 1.8 6.00 108 104 A 95 GLU HA A 5 LYS HA 1.0 1.8 4.62 109 105 A 96 LEU H A 5 LYS HA 1.0 1.8 4.95 110 106 A 5 LYS HA A 96 LEU HG 1.0 1.8 5.02 111 107 A 5 LYS HA A 96 LEU HDx% 1.0 1.8 5.50 112 108 A 5 LYS HA A 96 LEU HDy% 1.0 1.8 6.36 113 109 A 97 VAL H A 5 LYS HA 1.0 1.8 5.79 114 110 A 5 LYS HBy A 92 SER HA 1.0 1.8 4.53 115 111 A 5 LYS HBx A 5 LYS HEy 1.0 1.8 5.48 116 112 A 6 PRO HDy A 5 LYS HBx 1.0 1.8 4.77 117 113 A 5 LYS HBx A 6 PRO HDx 1.0 1.8 4.24 118 114 A 5 LYS HBx A 92 SER H 1.0 1.8 5.90 119 115 A 5 LYS HBx A 92 SER HA 1.0 1.8 4.02 120 116 A 5 LYS HBx A 93 THR H 1.0 1.8 6.00 121 117 A 96 LEU H A 5 LYS HBx 1.0 1.8 6.00 122 118 A 96 LEU HDx% A 5 LYS HBx 1.0 1.8 7.11 123 119 A 5 LYS HDy A 92 SER HA 1.0 1.8 5.56 124 120 A 5 LYS HDy A 92 SER HBx 1.0 1.8 5.97 125 121 A 5 LYS HDx A 92 SER HBx 1.0 1.8 6.00 126 122 A 95 GLU HA A 5 LYS HDx 1.0 1.8 5.68 127 123 A 96 LEU HDx% A 5 LYS HDx 1.0 1.8 7.11 128 124 A 92 SER HA A 5 LYS HEy 1.0 1.8 6.00 129 125 A 95 GLU HA A 5 LYS HEy 1.0 1.8 6.00 130 126 A 95 GLU HGy A 5 LYS HEy 1.0 1.8 5.33 131 127 A 95 GLU HGx A 5 LYS HEy 1.0 1.8 4.23 132 128 A 5 LYS HGy A 5 LYS HEy 1.0 1.8 4.51 133 129 A 5 LYS HGy A 92 SER HA 1.0 1.8 5.82 134 130 A 96 LEU H A 5 LYS HGy 1.0 1.8 6.00 135 131 A 5 LYS HGx A 5 LYS HEy 1.0 1.8 4.20 136 132 A 5 LYS HEx A 5 LYS HGx 1.0 1.8 3.76 137 133 A 6 PRO HDy A 5 LYS HGx 1.0 1.8 5.54 138 134 A 95 GLU HA A 5 LYS HGx 1.0 1.8 4.22 139 135 A 6 PRO HA A 32 ILE HD1% 1.0 1.8 5.80 140 136 A 6 PRO HA A 70 ILE HD1% 1.0 1.8 5.39 141 137 A 6 PRO HA A 8 VAL H 1.0 1.8 4.97 142 138 A 91 ALA HA A 6 PRO HA 1.0 1.8 6.00 143 139 A 96 LEU HDx% A 6 PRO HA 1.0 1.8 4.74 144 140 A 6 PRO HBy A 32 ILE HD1% 1.0 1.8 5.64 145 141 A 6 PRO HBy A 8 VAL H 1.0 1.8 4.46 146 142 A 6 PRO HBy A 8 VAL HGy% 1.0 1.8 5.87 147 143 A 6 PRO HBy A 91 ALA HA 1.0 1.8 4.39 148 144 A 96 LEU HDx% A 6 PRO HBy 1.0 1.8 5.87 149 145 A 6 PRO HBx A 32 ILE HD1% 1.0 1.8 5.15 150 146 A 6 PRO HBx A 70 ILE HD1% 1.0 1.8 4.76 151 147 A 6 PRO HBx A 70 ILE HG2% 1.0 1.8 5.40 152 148 A 6 PRO HBx A 8 VAL H 1.0 1.8 5.13 153 149 A 6 PRO HBx A 91 ALA HA 1.0 1.8 6.00 154 150 A 96 LEU HDx% A 6 PRO HBx 1.0 1.8 4.68 155 151 A 6 PRO HDy A 92 SER H 1.0 1.8 6.00 156 152 A 96 LEU H A 6 PRO HDy 1.0 1.8 5.43 157 153 A 96 LEU HDx% A 6 PRO HDy 1.0 1.8 5.46 158 154 A 6 PRO HDy A 96 LEU HDy% 1.0 1.8 5.35 159 155 A 6 PRO HDx A 70 ILE HG2% 1.0 1.8 6.53 160 156 A 96 LEU H A 6 PRO HDx 1.0 1.8 5.85 161 157 A 6 PRO HDx A 96 LEU HG 1.0 1.8 5.18 162 158 A 96 LEU HDx% A 6 PRO HDx 1.0 1.8 6.02 163 159 A 6 PRO HDx A 96 LEU HDy% 1.0 1.8 6.12 164 160 A 6 PRO HGy A 89 VAL HGy% 1.0 1.8 6.55 165 161 A 6 PRO HGy A 8 VAL H 1.0 1.8 5.39 166 162 A 6 PRO HGy A 90 SER H 1.0 1.8 6.00 167 163 A 6 PRO HGy A 91 ALA HA 1.0 1.8 3.93 168 164 A 6 PRO HGy A 91 ALA HB% 1.0 1.8 6.79 169 165 A 6 PRO HGy A 92 SER H 1.0 1.8 5.59 170 166 A 6 PRO HGy A 92 SER HA 1.0 1.8 6.00 171 167 A 6 PRO HGy A 96 LEU HDy% 1.0 1.8 6.22 172 168 A 6 PRO HGx A 32 ILE HD1% 1.0 1.8 5.40 173 169 A 6 PRO HGx A 89 VAL HGy% 1.0 1.8 5.93 174 170 A 6 PRO HGx A 8 VAL H 1.0 1.8 5.89 175 171 A 6 PRO HGx A 90 SER H 1.0 1.8 5.79 176 172 A 6 PRO HGx A 91 ALA HA 1.0 1.8 4.39 177 173 A 96 LEU HDx% A 6 PRO HGx 1.0 1.8 5.03 178 174 A 6 PRO HGx A 96 LEU HDy% 1.0 1.8 5.66 179 175 A 7 GLN H A 7 GLN HGy 1.0 1.8 6.00 180 176 A 7 GLN HGy A 7 GLN HA 1.0 1.8 4.55 181 177 A 7 GLN HA A 7 GLN HGx 1.0 1.8 4.49 182 178 A 91 ALA HA A 7 GLN HA 1.0 1.8 5.38 183 179 A 7 GLN HBy A 68 THR HG2% 1.0 1.8 7.11 184 180 A 8 VAL H A 7 GLN HBy 1.0 1.8 5.45 185 181 A 7 GLN HBy A 8 VAL HGx% 1.0 1.8 6.37 186 182 A 68 THR HG2% A 7 GLN HBx 1.0 1.8 7.11 187 183 A 8 VAL H A 7 GLN HBx 1.0 1.8 5.52 188 184 A 8 VAL HGx% A 7 GLN HBx 1.0 1.8 6.26 189 185 A 68 THR HG2% A 7 GLN HE2y 1.0 1.8 7.02 190 186 A 68 THR HG2% A 7 GLN HE2x 1.0 1.8 6.41 191 187 A 70 ILE HD1% A 7 GLN HE2x 1.0 1.8 7.11 192 188 A 8 VAL HGx% A 7 GLN HE2x 1.0 1.8 7.02 193 189 A 7 GLN HGy A 68 THR HG2% 1.0 1.8 7.07 194 190 A 8 VAL H A 7 GLN HGy 1.0 1.8 5.79 195 191 A 7 GLN HGy A 8 VAL HGx% 1.0 1.8 5.80 196 192 A 8 VAL HGy% A 7 GLN HGy 1.0 1.8 7.11 197 193 A 7 GLN HGx A 68 THR HG2% 1.0 1.8 6.78 198 194 A 8 VAL H A 7 GLN HGx 1.0 1.8 6.00 199 195 A 7 GLN HGx A 8 VAL HGx% 1.0 1.8 5.38 200 196 A 32 ILE HD1% A 8 VAL H 1.0 1.8 7.11 201 197 A 8 VAL H A 68 THR HG2% 1.0 1.8 6.26 202 198 A 8 VAL H A 8 VAL HGx% 1.0 1.8 5.94 203 199 A 8 VAL H A 8 VAL HGy% 1.0 1.8 4.87 204 200 A 91 ALA HA A 8 VAL H 1.0 1.8 5.32 205 201 A 8 VAL H A 91 ALA HB% 1.0 1.8 6.34 206 202 A 8 VAL HA A 8 VAL HB 1.0 1.8 3.17 207 203 A 8 VAL HGx% A 8 VAL HA 1.0 1.8 4.38 208 204 A 8 VAL HGy% A 8 VAL HA 1.0 1.8 4.75 209 205 A 8 VAL HA A 9 SER H 1.0 1.8 3.76 210 206 A 8 VAL HA A 9 SER HBx 1.0 1.8 6.00 211 207 A 8 VAL HB A 34 GLN HE2y 1.0 1.8 6.00 212 208 A 8 VAL HB A 34 GLN HE2x 1.0 1.8 4.66 213 209 A 8 VAL HB A 9 SER H 1.0 1.8 3.98 214 210 A 8 VAL HGx% A 34 GLN HE2y 1.0 1.8 6.58 215 211 A 8 VAL HGx% A 34 GLN HE2x 1.0 1.8 6.13 216 212 A 8 VAL HGx% A 9 SER H 1.0 1.8 5.50 217 213 A 32 ILE HD1% A 8 VAL HGy% 1.0 1.8 5.43 218 214 A 8 VAL HGy% A 32 ILE HG2% 1.0 1.8 5.45 219 215 A 8 VAL HGy% A 34 GLN HA 1.0 1.8 5.29 220 216 A 8 VAL HGy% A 34 GLN HBy 1.0 1.8 6.61 221 217 A 8 VAL HGy% A 34 GLN HBx 1.0 1.8 7.11 222 218 A 8 VAL HGy% A 34 GLN HGx 1.0 1.8 5.66 223 219 A 8 VAL HGy% A 34 GLN HGy 1.0 1.8 5.47 224 220 A 8 VAL HGy% A 67 HIS HA 1.0 1.8 6.65 225 221 A 8 VAL HGy% A 68 THR HB 1.0 1.8 5.38 226 222 A 8 VAL HGy% A 68 THR HG2% 1.0 1.8 6.64 227 223 A 8 VAL HGy% A 9 SER H 1.0 1.8 5.72 228 224 A 8 VAL HGy% A 9 SER HBx 1.0 1.8 7.11 229 225 A 91 ALA HB% A 9 SER H 1.0 1.8 5.77 230 226 A 9 SER H A 9 SER HBy 1.0 1.8 4.68 231 227 A 9 SER H A 9 SER HBx 1.0 1.8 4.52 232 228 A 9 SER HA A 10 GLY H 1.0 1.8 3.93 233 229 A 32 ILE HD1% A 9 SER HA 1.0 1.8 6.72 234 230 A 32 ILE HG2% A 9 SER HA 1.0 1.8 7.11 235 231 A 9 SER HA A 88 TYR HEy 1.0 1.8 6.49 236 231 A 9 SER HA A 88 TYR HEx 1.0 1.8 6.49 237 232 A 89 VAL HGy% A 9 SER HA 1.0 1.8 5.22 238 233 A 9 SER HA A 90 SER HBy 1.0 1.8 5.05 239 234 A 9 SER HA A 91 ALA H 1.0 1.8 4.89 240 235 A 91 ALA HA A 9 SER HA 1.0 1.8 4.95 241 236 A 91 ALA HB% A 9 SER HA 1.0 1.8 6.52 242 237 A 9 SER HBy A 10 GLY H 1.0 1.8 4.61 243 238 A 9 SER HBy A 88 TYR HEy 1.0 1.8 5.99 244 238 A 9 SER HBy A 88 TYR HEx 1.0 1.8 5.99 245 239 A 89 VAL HGy% A 9 SER HBy 1.0 1.8 7.11 246 240 A 9 SER HBy A 90 SER HA 1.0 1.8 3.05 247 241 A 9 SER HBy A 91 ALA H 1.0 1.8 5.36 248 242 A 91 ALA HB% A 9 SER HBy 1.0 1.8 7.11 249 243 A 9 SER HBx A 10 GLY H 1.0 1.8 4.89 250 244 A 9 SER HBx A 88 TYR HEy 1.0 1.8 5.99 251 244 A 9 SER HBx A 88 TYR HEx 1.0 1.8 5.99 252 245 A 9 SER HBx A 91 ALA H 1.0 1.8 5.54 253 246 A 10 GLY H A 11 VAL HA 1.0 1.8 4.98 254 247 A 32 ILE HD1% A 10 GLY H 1.0 1.8 6.53 255 248 A 32 ILE HG2% A 10 GLY H 1.0 1.8 6.84 256 249 A 10 GLY H A 89 VAL H 1.0 1.8 4.60 257 250 A 89 VAL HGy% A 10 GLY H 1.0 1.8 5.26 258 251 A 11 VAL H A 10 GLY HAx 1.0 1.8 4.38 259 251 A 10 GLY HAy A 11 VAL H 1.0 1.8 4.38 260 252 A 10 GLY HAx A 11 VAL HB 1.0 1.8 6.13 261 252 A 10 GLY HAy A 11 VAL HB 1.0 1.8 6.13 262 253 A 10 GLY HAx A 11 VAL HGx% 1.0 1.8 6.18 263 253 A 10 GLY HAy A 11 VAL HGx% 1.0 1.8 6.18 264 254 A 32 ILE HG2% A 10 GLY HAy 1.0 1.8 5.47 265 254 A 32 ILE HG2% A 10 GLY HAx 1.0 1.8 5.47 266 255 A 10 GLY HAx A 33 GLU H 1.0 1.8 6.67 267 255 A 10 GLY HAy A 33 GLU H 1.0 1.8 6.67 268 256 A 10 GLY HAx A 33 GLU HGy 1.0 1.8 7.29 269 256 A 10 GLY HAx A 33 GLU HGx 1.0 1.8 7.29 270 256 A 10 GLY HAy A 33 GLU HGy 1.0 1.8 7.29 271 256 A 10 GLY HAy A 33 GLU HGx 1.0 1.8 7.29 272 257 A 10 GLY HAx A 88 TYR HDy 1.0 1.8 7.43 273 257 A 10 GLY HAx A 88 TYR HDx 1.0 1.8 7.43 274 257 A 10 GLY HAy A 88 TYR HDy 1.0 1.8 7.43 275 257 A 10 GLY HAy A 88 TYR HDx 1.0 1.8 7.43 276 258 A 88 TYR HEx A 10 GLY HAx 1.0 1.8 6.59 277 258 A 88 TYR HEy A 10 GLY HAx 1.0 1.8 6.59 278 258 A 88 TYR HEy A 10 GLY HAy 1.0 1.8 6.59 279 258 A 88 TYR HEx A 10 GLY HAy 1.0 1.8 6.59 280 259 A 89 VAL HGy% A 10 GLY HAy 1.0 1.8 7.27 281 259 A 89 VAL HGy% A 10 GLY HAx 1.0 1.8 7.27 282 260 A 11 VAL H A 11 VAL HB 1.0 1.8 3.94 283 261 A 11 VAL H A 11 VAL HGx% 1.0 1.8 4.74 284 262 A 11 VAL H A 11 VAL HGy% 1.0 1.8 5.44 285 263 A 11 VAL H A 32 ILE HB 1.0 1.8 6.00 286 264 A 11 VAL H A 32 ILE HG1x 1.0 1.8 6.00 287 265 A 32 ILE HG2% A 11 VAL H 1.0 1.8 5.20 288 266 A 11 VAL H A 33 GLU H 1.0 1.8 5.11 289 267 A 11 VAL H A 33 GLU HBy 1.0 1.8 5.36 290 268 A 11 VAL HA A 11 VAL HGx% 1.0 1.8 4.46 291 269 A 11 VAL HA A 11 VAL HGy% 1.0 1.8 4.87 292 270 A 11 VAL HA A 12 ILE H 1.0 1.8 3.81 293 271 A 11 VAL HA A 12 ILE HB 1.0 1.8 5.55 294 272 A 11 VAL HA A 12 ILE HG1y 1.0 1.8 6.00 295 273 A 11 VAL HA A 88 TYR HBy 1.0 1.8 6.46 296 273 A 11 VAL HA A 88 TYR HBx 1.0 1.8 6.46 297 274 A 11 VAL HA A 89 VAL H 1.0 1.8 4.73 298 275 A 89 VAL HGy% A 11 VAL HA 1.0 1.8 6.07 299 276 A 11 VAL HB A 12 ILE H 1.0 1.8 5.15 300 277 A 11 VAL HB A 12 ILE HA 1.0 1.8 6.00 301 278 A 11 VAL HB A 33 GLU H 1.0 1.8 5.20 302 279 A 11 VAL HGx% A 12 ILE H 1.0 1.8 5.42 303 280 A 11 VAL HGx% A 88 TYR HA 1.0 1.8 4.54 304 281 A 11 VAL HGx% A 88 TYR HBy 1.0 1.8 6.62 305 281 A 11 VAL HGx% A 88 TYR HBx 1.0 1.8 6.62 306 282 A 88 TYR HEy A 11 VAL HGx% 1.0 1.8 6.74 307 282 A 88 TYR HEx A 11 VAL HGx% 1.0 1.8 6.74 308 283 A 89 VAL H A 11 VAL HGx% 1.0 1.8 4.99 309 284 A 11 VAL HGy% A 12 ILE H 1.0 1.8 5.02 310 285 A 11 VAL HGy% A 12 ILE HB 1.0 1.8 7.11 311 286 A 11 VAL HGy% A 86 GLY H 1.0 1.8 5.63 312 287 A 11 VAL HGy% A 87 ASP H 1.0 1.8 6.17 313 288 A 11 VAL HGy% A 88 TYR HA 1.0 1.8 6.77 314 289 A 11 VAL HGy% A 88 TYR HBx 1.0 1.8 7.04 315 289 A 11 VAL HGy% A 88 TYR HBy 1.0 1.8 7.04 316 290 A 88 TYR HDx A 11 VAL HGy% 1.0 1.8 7.16 317 290 A 88 TYR HDy A 11 VAL HGy% 1.0 1.8 7.16 318 291 A 12 ILE H A 12 ILE HB 1.0 1.8 4.18 319 292 A 12 ILE H A 12 ILE HG1y 1.0 1.8 4.40 320 293 A 12 ILE H A 12 ILE HG1x 1.0 1.8 4.84 321 294 A 12 ILE H A 12 ILE HD1% 1.0 1.8 5.77 322 295 A 12 ILE H A 83 VAL HGy% 1.0 1.8 7.11 323 296 A 12 ILE H A 87 ASP H 1.0 1.8 5.00 324 297 A 12 ILE H A 89 VAL HGx% 1.0 1.8 7.08 325 298 A 12 ILE HG1y A 12 ILE HA 1.0 1.8 4.46 326 299 A 12 ILE HA A 12 ILE HD1% 1.0 1.8 4.50 327 300 A 12 ILE HA A 12 ILE HG2% 1.0 1.8 4.56 328 301 A 12 ILE HA A 13 VAL H 1.0 1.8 3.87 329 302 A 12 ILE HA A 13 VAL HB 1.0 1.8 5.40 330 303 A 12 ILE HA A 13 VAL HGy% 1.0 1.8 5.63 331 304 A 12 ILE HA A 14 ASN H 1.0 1.8 4.54 332 305 A 30 PHE HDy A 12 ILE HA 1.0 1.8 6.42 333 305 A 30 PHE HDx A 12 ILE HA 1.0 1.8 6.42 334 306 A 12 ILE HA A 31 ILE HB 1.0 1.8 6.00 335 307 A 12 ILE HA A 32 ILE HA 1.0 1.8 3.57 336 308 A 32 ILE HB A 12 ILE HA 1.0 1.8 5.90 337 309 A 12 ILE HA A 32 ILE HG1y 1.0 1.8 5.48 338 310 A 32 ILE HG1x A 12 ILE HA 1.0 1.8 4.65 339 311 A 32 ILE HD1% A 12 ILE HA 1.0 1.8 6.35 340 312 A 32 ILE HG2% A 12 ILE HA 1.0 1.8 5.70 341 313 A 33 GLU H A 12 ILE HA 1.0 1.8 4.77 342 314 A 12 ILE HB A 12 ILE HD1% 1.0 1.8 5.53 343 315 A 12 ILE HB A 85 ILE HA 1.0 1.8 4.00 344 316 A 12 ILE HB A 86 GLY H 1.0 1.8 4.57 345 317 A 12 ILE HB A 86 GLY HAx 1.0 1.8 6.67 346 317 A 12 ILE HB A 86 GLY HAy 1.0 1.8 6.67 347 318 A 12 ILE HB A 87 ASP H 1.0 1.8 4.26 348 319 A 12 ILE HB A 87 ASP HBy 1.0 1.8 5.05 349 320 A 12 ILE HG1y A 85 ILE HA 1.0 1.8 6.00 350 321 A 12 ILE HG1y A 87 ASP HBy 1.0 1.8 6.00 351 322 A 12 ILE HG1y A 87 ASP HBx 1.0 1.8 6.00 352 323 A 12 ILE HG1y A 89 VAL HGx% 1.0 1.8 5.02 353 324 A 89 VAL HGy% A 12 ILE HG1y 1.0 1.8 6.20 354 325 A 12 ILE HG1x A 30 PHE HBx 1.0 1.8 6.00 355 326 A 30 PHE HDy A 12 ILE HG1x 1.0 1.8 5.46 356 326 A 30 PHE HDx A 12 ILE HG1x 1.0 1.8 5.46 357 327 A 12 ILE HG1x A 83 VAL HB 1.0 1.8 4.72 358 328 A 12 ILE HG1x A 83 VAL HGy% 1.0 1.8 6.08 359 329 A 12 ILE HG1x A 85 ILE HA 1.0 1.8 6.00 360 330 A 12 ILE HG1x A 87 ASP HBy 1.0 1.8 4.03 361 331 A 12 ILE HD1% A 13 VAL H 1.0 1.8 5.77 362 332 A 12 ILE HD1% A 30 PHE HA 1.0 1.8 6.66 363 333 A 12 ILE HD1% A 30 PHE HBy 1.0 1.8 6.07 364 334 A 12 ILE HD1% A 30 PHE HBx 1.0 1.8 5.58 365 335 A 30 PHE HDx A 12 ILE HD1% 1.0 1.8 5.54 366 335 A 30 PHE HDy A 12 ILE HD1% 1.0 1.8 5.54 367 336 A 12 ILE HD1% A 32 ILE HA 1.0 1.8 5.59 368 337 A 12 ILE HD1% A 83 VAL HB 1.0 1.8 5.92 369 338 A 12 ILE HD1% A 84 ASN H 1.0 1.8 6.37 370 339 A 12 ILE HD1% A 85 ILE HA 1.0 1.8 7.11 371 340 A 12 ILE HD1% A 87 ASP HBx 1.0 1.8 7.11 372 341 A 12 ILE HD1% A 89 VAL HA 1.0 1.8 6.70 373 342 A 12 ILE HD1% A 89 VAL HGx% 1.0 1.8 5.59 374 343 A 89 VAL HGy% A 12 ILE HD1% 1.0 1.8 5.35 375 344 A 12 ILE HD1% A 12 ILE HG2% 1.0 1.8 5.85 376 345 A 12 ILE HG2% A 13 VAL H 1.0 1.8 5.38 377 346 A 12 ILE HG2% A 13 VAL HA 1.0 1.8 5.35 378 347 A 12 ILE HG2% A 14 ASN H 1.0 1.8 4.93 379 348 A 12 ILE HG2% A 15 LYS HA 1.0 1.8 5.53 380 349 A 12 ILE HG2% A 15 LYS HEy 1.0 1.8 6.66 381 350 A 12 ILE HG2% A 30 PHE HA 1.0 1.8 6.19 382 351 A 12 ILE HG2% A 30 PHE HBy 1.0 1.8 5.66 383 352 A 12 ILE HG2% A 30 PHE HBx 1.0 1.8 6.41 384 353 A 30 PHE HDx A 12 ILE HG2% 1.0 1.8 5.12 385 353 A 30 PHE HDy A 12 ILE HG2% 1.0 1.8 5.12 386 354 A 12 ILE HG2% A 32 ILE HA 1.0 1.8 6.10 387 355 A 86 GLY H A 12 ILE HG2% 1.0 1.8 4.88 388 356 A 12 ILE HG2% A 86 GLY HAx 1.0 1.8 7.91 389 356 A 12 ILE HG2% A 86 GLY HAy 1.0 1.8 7.91 390 357 A 87 ASP H A 12 ILE HG2% 1.0 1.8 5.65 391 358 A 13 VAL H A 13 VAL HB 1.0 1.8 4.46 392 359 A 13 VAL H A 13 VAL HGy% 1.0 1.8 4.75 393 360 A 13 VAL H A 14 ASN H 1.0 1.8 3.85 394 361 A 13 VAL H A 14 ASN HBx 1.0 1.8 5.96 395 362 A 13 VAL H A 31 ILE HB 1.0 1.8 5.45 396 363 A 13 VAL H A 31 ILE HG2% 1.0 1.8 5.90 397 364 A 13 VAL H A 32 ILE H 1.0 1.8 5.43 398 365 A 13 VAL H A 32 ILE HA 1.0 1.8 4.75 399 366 A 13 VAL H A 32 ILE HG1y 1.0 1.8 5.58 400 367 A 32 ILE HG1x A 13 VAL H 1.0 1.8 5.73 401 368 A 13 VAL HA A 13 VAL HGx% 1.0 1.8 4.28 402 369 A 13 VAL HGy% A 13 VAL HA 1.0 1.8 4.96 403 370 A 13 VAL HB A 14 ASN H 1.0 1.8 4.56 404 371 A 13 VAL HB A 14 ASN HBy 1.0 1.8 4.86 405 372 A 13 VAL HB A 31 ILE HA 1.0 1.8 5.05 406 373 A 13 VAL HB A 31 ILE HB 1.0 1.8 4.75 407 374 A 13 VAL HB A 31 ILE HG1x 1.0 1.8 6.00 408 375 A 13 VAL HB A 31 ILE HD1% 1.0 1.8 5.15 409 376 A 13 VAL HB A 32 ILE HA 1.0 1.8 5.23 410 377 A 13 VAL HGx% A 14 ASN HBy 1.0 1.8 6.20 411 378 A 13 VAL HGx% A 67 HIS HD2 1.0 1.8 6.06 412 379 A 13 VAL HGy% A 14 ASN H 1.0 1.8 5.32 413 380 A 13 VAL HGy% A 14 ASN HBy 1.0 1.8 6.84 414 381 A 13 VAL HGy% A 31 ILE HB 1.0 1.8 5.27 415 382 A 13 VAL HGy% A 32 ILE HA 1.0 1.8 5.23 416 383 A 33 GLU H A 13 VAL HGy% 1.0 1.8 5.29 417 384 A 13 VAL HGy% A 33 GLU HBx 1.0 1.8 5.51 418 385 A 33 GLU HGy A 13 VAL HGy% 1.0 1.8 7.21 419 385 A 33 GLU HGx A 13 VAL HGy% 1.0 1.8 7.21 420 386 A 13 VAL HGy% A 67 HIS HD2 1.0 1.8 5.16 421 387 A 14 ASN H A 14 ASN HBx 1.0 1.8 4.65 422 388 A 14 ASN H A 15 LYS H 1.0 1.8 5.58 423 389 A 14 ASN H A 30 PHE HA 1.0 1.8 5.40 424 390 A 14 ASN H A 31 ILE H 1.0 1.8 4.40 425 391 A 14 ASN H A 31 ILE HB 1.0 1.8 4.42 426 392 A 14 ASN H A 32 ILE HA 1.0 1.8 6.00 427 393 A 14 ASN H A 85 ILE HD1% 1.0 1.8 6.54 428 394 A 14 ASN HA A 14 ASN HD2y 1.0 1.8 5.79 429 395 A 14 ASN HA A 14 ASN HD2x 1.0 1.8 6.00 430 396 A 15 LYS H A 14 ASN HA 1.0 1.8 3.63 431 397 A 85 ILE HD1% A 14 ASN HA 1.0 1.8 4.49 432 398 A 14 ASN HBy A 15 LYS H 1.0 1.8 4.53 433 399 A 14 ASN HBy A 16 LEU HDx% 1.0 1.8 6.01 434 400 A 14 ASN HBy A 16 LEU HDy% 1.0 1.8 6.07 435 401 A 14 ASN HBy A 31 ILE H 1.0 1.8 6.00 436 402 A 31 ILE HB A 14 ASN HBy 1.0 1.8 4.50 437 403 A 14 ASN HBy A 31 ILE HG1y 1.0 1.8 6.00 438 404 A 14 ASN HBy A 31 ILE HG1x 1.0 1.8 5.79 439 405 A 14 ASN HBy A 31 ILE HD1% 1.0 1.8 5.90 440 406 A 14 ASN HBx A 15 LYS H 1.0 1.8 4.84 441 407 A 14 ASN HBx A 16 LEU HG 1.0 1.8 5.76 442 408 A 14 ASN HBx A 16 LEU HDx% 1.0 1.8 5.21 443 409 A 14 ASN HBx A 16 LEU HDy% 1.0 1.8 5.44 444 410 A 30 PHE HA A 14 ASN HBx 1.0 1.8 6.00 445 411 A 14 ASN HBx A 31 ILE H 1.0 1.8 5.56 446 412 A 31 ILE HB A 14 ASN HBx 1.0 1.8 4.42 447 413 A 14 ASN HBx A 31 ILE HG1y 1.0 1.8 5.20 448 414 A 14 ASN HBx A 31 ILE HG1x 1.0 1.8 5.24 449 415 A 14 ASN HBx A 31 ILE HD1% 1.0 1.8 5.63 450 416 A 14 ASN HD2y A 16 LEU HDx% 1.0 1.8 6.08 451 417 A 14 ASN HD2y A 16 LEU HDy% 1.0 1.8 6.85 452 418 A 31 ILE HD1% A 14 ASN HD2y 1.0 1.8 6.86 453 419 A 14 ASN HD2x A 16 LEU HA 1.0 1.8 5.96 454 420 A 14 ASN HD2x A 16 LEU HDx% 1.0 1.8 5.98 455 421 A 14 ASN HD2x A 16 LEU HDy% 1.0 1.8 6.96 456 422 A 15 LYS HA A 15 LYS H 1.0 1.8 3.35 457 423 A 15 LYS H A 15 LYS HBy 1.0 1.8 4.47 458 424 A 15 LYS H A 15 LYS HDy 1.0 1.8 5.88 459 425 A 15 LYS H A 16 LEU HDx% 1.0 1.8 6.41 460 426 A 15 LYS H A 85 ILE HD1% 1.0 1.8 5.53 461 427 A 15 LYS HA A 15 LYS HDy 1.0 1.8 4.25 462 428 A 15 LYS HA A 15 LYS HEy 1.0 1.8 5.15 463 429 A 30 PHE HA A 15 LYS HA 1.0 1.8 3.73 464 430 A 30 PHE HBx A 15 LYS HA 1.0 1.8 6.00 465 431 A 30 PHE HDy A 15 LYS HA 1.0 1.8 4.71 466 431 A 30 PHE HDx A 15 LYS HA 1.0 1.8 4.71 467 432 A 30 PHE HEy A 15 LYS HA 1.0 1.8 6.11 468 432 A 30 PHE HEx A 15 LYS HA 1.0 1.8 6.11 469 433 A 15 LYS HEy A 15 LYS HBy 1.0 1.8 5.21 470 434 A 16 LEU HA A 15 LYS HBy 1.0 1.8 5.79 471 435 A 15 LYS HBy A 17 PHE H 1.0 1.8 6.00 472 436 A 15 LYS HEy A 15 LYS HBx 1.0 1.8 5.33 473 437 A 15 LYS HBx A 15 LYS HEx 1.0 1.8 5.31 474 438 A 15 LYS HBx A 16 LEU H 1.0 1.8 5.24 475 439 A 17 PHE H A 15 LYS HBx 1.0 1.8 6.00 476 440 A 15 LYS HBx A 17 PHE HDy 1.0 1.8 5.87 477 440 A 15 LYS HBx A 17 PHE HDx 1.0 1.8 5.87 478 441 A 30 PHE HA A 15 LYS HBx 1.0 1.8 6.00 479 442 A 30 PHE HDy A 15 LYS HBx 1.0 1.8 6.13 480 442 A 30 PHE HDx A 15 LYS HBx 1.0 1.8 6.13 481 443 A 85 ILE HD1% A 15 LYS HBx 1.0 1.8 5.44 482 444 A 30 PHE HBx A 15 LYS HDy 1.0 1.8 6.00 483 445 A 15 LYS HDy A 30 PHE HZ 1.0 1.8 5.39 484 446 A 30 PHE HDy A 15 LYS HDy 1.0 1.8 5.10 485 446 A 30 PHE HDx A 15 LYS HDy 1.0 1.8 5.10 486 447 A 30 PHE HEy A 15 LYS HDy 1.0 1.8 5.20 487 447 A 30 PHE HEx A 15 LYS HDy 1.0 1.8 5.20 488 448 A 15 LYS HDy A 81 ALA HB% 1.0 1.8 5.74 489 449 A 15 LYS HDx A 17 PHE HEy 1.0 1.8 6.67 490 449 A 15 LYS HDx A 17 PHE HEx 1.0 1.8 6.67 491 450 A 30 PHE HA A 15 LYS HDx 1.0 1.8 6.00 492 451 A 30 PHE HDy A 15 LYS HDx 1.0 1.8 6.39 493 451 A 30 PHE HDx A 15 LYS HDx 1.0 1.8 6.39 494 452 A 30 PHE HEy A 15 LYS HDx 1.0 1.8 6.17 495 452 A 30 PHE HEx A 15 LYS HDx 1.0 1.8 6.17 496 453 A 81 ALA HB% A 15 LYS HDx 1.0 1.8 5.54 497 454 A 15 LYS HEy A 30 PHE HZ 1.0 1.8 5.59 498 455 A 15 LYS HEy A 81 ALA HB% 1.0 1.8 4.32 499 456 A 83 VAL HGy% A 15 LYS HEy 1.0 1.8 7.11 500 457 A 15 LYS HEy A 84 ASN HA 1.0 1.8 5.48 501 458 A 15 LYS HEx A 17 PHE HDy 1.0 1.8 6.61 502 458 A 15 LYS HEx A 17 PHE HDx 1.0 1.8 6.61 503 459 A 15 LYS HEx A 17 PHE HEy 1.0 1.8 6.15 504 459 A 15 LYS HEx A 17 PHE HEx 1.0 1.8 6.15 505 460 A 15 LYS HEx A 30 PHE HZ 1.0 1.8 4.84 506 461 A 15 LYS HEx A 81 ALA HB% 1.0 1.8 5.96 507 462 A 85 ILE HD1% A 15 LYS HEx 1.0 1.8 6.22 508 463 A 16 LEU H A 16 LEU HBx 1.0 1.8 4.40 509 464 A 16 LEU HG A 16 LEU H 1.0 1.8 4.47 510 465 A 16 LEU HDx% A 16 LEU H 1.0 1.8 5.68 511 466 A 16 LEU HDy% A 16 LEU H 1.0 1.8 5.38 512 467 A 17 PHE H A 16 LEU H 1.0 1.8 4.72 513 468 A 16 LEU H A 17 PHE HDy 1.0 1.8 5.38 514 468 A 16 LEU H A 17 PHE HDx 1.0 1.8 5.38 515 469 A 16 LEU H A 29 LEU HDy% 1.0 1.8 7.11 516 470 A 30 PHE HA A 16 LEU H 1.0 1.8 4.92 517 471 A 16 LEU HG A 16 LEU HA 1.0 1.8 3.95 518 472 A 16 LEU HDx% A 16 LEU HA 1.0 1.8 4.40 519 473 A 16 LEU HDy% A 16 LEU HA 1.0 1.8 5.02 520 474 A 16 LEU HA A 17 PHE HBx 1.0 1.8 6.00 521 475 A 31 ILE HD1% A 16 LEU HA 1.0 1.8 6.88 522 476 A 16 LEU HG A 16 LEU HBy 1.0 1.8 3.47 523 477 A 16 LEU HDx% A 16 LEU HBy 1.0 1.8 4.45 524 478 A 16 LEU HDy% A 16 LEU HBy 1.0 1.8 4.55 525 479 A 17 PHE H A 16 LEU HBy 1.0 1.8 5.72 526 480 A 29 LEU HDy% A 16 LEU HBy 1.0 1.8 7.11 527 481 A 16 LEU HDx% A 16 LEU HBx 1.0 1.8 5.20 528 482 A 16 LEU HDy% A 16 LEU HBx 1.0 1.8 4.44 529 483 A 17 PHE H A 16 LEU HBx 1.0 1.8 5.06 530 484 A 17 PHE HDy A 16 LEU HBx 1.0 1.8 6.44 531 484 A 17 PHE HDx A 16 LEU HBx 1.0 1.8 6.44 532 485 A 16 LEU HBx A 28 THR HG2% 1.0 1.8 6.17 533 486 A 16 LEU HBx A 29 LEU HDy% 1.0 1.8 7.11 534 487 A 16 LEU HG A 17 PHE H 1.0 1.8 5.56 535 488 A 30 PHE HA A 16 LEU HG 1.0 1.8 6.00 536 489 A 16 LEU HDx% A 17 PHE H 1.0 1.8 5.90 537 490 A 16 LEU HDx% A 28 THR HB 1.0 1.8 6.40 538 491 A 30 PHE HA A 16 LEU HDx% 1.0 1.8 6.25 539 492 A 31 ILE H A 16 LEU HDx% 1.0 1.8 7.09 540 493 A 31 ILE HG1x A 16 LEU HDx% 1.0 1.8 4.80 541 494 A 16 LEU HDy% A 28 THR HB 1.0 1.8 5.45 542 495 A 16 LEU HDy% A 28 THR HG2% 1.0 1.8 6.15 543 496 A 30 PHE HA A 16 LEU HDy% 1.0 1.8 5.27 544 497 A 31 ILE H A 16 LEU HDy% 1.0 1.8 6.24 545 498 A 31 ILE HG1x A 16 LEU HDy% 1.0 1.8 5.16 546 499 A 17 PHE H A 17 PHE HDy 1.0 1.8 5.07 547 499 A 17 PHE H A 17 PHE HDx 1.0 1.8 5.07 548 500 A 17 PHE H A 18 LYS H 1.0 1.8 5.43 549 501 A 17 PHE HDy A 17 PHE HA 1.0 1.8 4.73 550 501 A 17 PHE HDx A 17 PHE HA 1.0 1.8 4.73 551 502 A 18 LYS H A 17 PHE HA 1.0 1.8 3.75 552 503 A 17 PHE HA A 18 LYS HGx 1.0 1.8 6.00 553 504 A 17 PHE HA A 27 GLN HE2y 1.0 1.8 5.63 554 505 A 17 PHE HA A 27 GLN HE2x 1.0 1.8 6.00 555 506 A 29 LEU HDy% A 17 PHE HA 1.0 1.8 6.59 556 507 A 18 LYS H A 17 PHE HBy 1.0 1.8 4.24 557 508 A 17 PHE HBy A 23 VAL HGx% 1.0 1.8 6.29 558 509 A 29 LEU HDy% A 17 PHE HBy 1.0 1.8 6.25 559 510 A 17 PHE HBy A 78 ILE HD1% 1.0 1.8 7.11 560 511 A 17 PHE HBy A 78 ILE HG2% 1.0 1.8 5.30 561 512 A 17 PHE HBx A 18 LYS H 1.0 1.8 4.18 562 513 A 17 PHE HBx A 23 VAL HGx% 1.0 1.8 6.46 563 514 A 17 PHE HBx A 29 LEU HBx 1.0 1.8 3.75 564 515 A 29 LEU HDy% A 17 PHE HBx 1.0 1.8 5.75 565 516 A 17 PHE HBx A 78 ILE HD1% 1.0 1.8 6.79 566 517 A 17 PHE HZ A 81 ALA HA 1.0 1.8 5.25 567 518 A 81 ALA HB% A 17 PHE HZ 1.0 1.8 5.14 568 519 A 17 PHE HZ A 97 VAL HB 1.0 1.8 4.53 569 520 A 97 VAL HGy% A 17 PHE HZ 1.0 1.8 4.84 570 521 A 17 PHE HDy A 18 LYS H 1.0 1.8 5.26 571 521 A 17 PHE HDx A 18 LYS H 1.0 1.8 5.26 572 522 A 17 PHE HDy A 18 LYS HA 1.0 1.8 5.58 573 522 A 17 PHE HDx A 18 LYS HA 1.0 1.8 5.58 574 523 A 17 PHE HDy A 18 LYS HBx 1.0 1.8 6.67 575 523 A 17 PHE HDx A 18 LYS HBx 1.0 1.8 6.67 576 524 A 17 PHE HDy A 21 ASP H 1.0 1.8 6.33 577 524 A 17 PHE HDx A 21 ASP H 1.0 1.8 6.33 578 525 A 17 PHE HDx A 23 VAL HGx% 1.0 1.8 7.64 579 525 A 17 PHE HDy A 23 VAL HGx% 1.0 1.8 7.64 580 526 A 17 PHE HDy A 29 LEU HA 1.0 1.8 5.52 581 526 A 17 PHE HDx A 29 LEU HA 1.0 1.8 5.52 582 527 A 17 PHE HDy A 29 LEU HBy 1.0 1.8 6.59 583 527 A 17 PHE HDx A 29 LEU HBy 1.0 1.8 6.59 584 528 A 17 PHE HDy A 29 LEU HBx 1.0 1.8 5.93 585 528 A 17 PHE HDx A 29 LEU HBx 1.0 1.8 5.93 586 529 A 17 PHE HDy A 29 LEU HG 1.0 1.8 6.67 587 529 A 17 PHE HDx A 29 LEU HG 1.0 1.8 6.67 588 530 A 29 LEU HDx% A 17 PHE HDx 1.0 1.8 7.78 589 530 A 29 LEU HDx% A 17 PHE HDy 1.0 1.8 7.78 590 531 A 17 PHE HDx A 29 LEU HDy% 1.0 1.8 5.76 591 531 A 17 PHE HDy A 29 LEU HDy% 1.0 1.8 5.76 592 532 A 17 PHE HDy A 30 PHE HZ 1.0 1.8 4.82 593 532 A 17 PHE HDx A 30 PHE HZ 1.0 1.8 4.82 594 533 A 17 PHE HDy A 78 ILE HB 1.0 1.8 6.67 595 533 A 17 PHE HDx A 78 ILE HB 1.0 1.8 6.67 596 534 A 17 PHE HDx A 78 ILE HD1% 1.0 1.8 6.38 597 534 A 17 PHE HDy A 78 ILE HD1% 1.0 1.8 6.38 598 535 A 17 PHE HDx A 78 ILE HG2% 1.0 1.8 4.80 599 535 A 17 PHE HDy A 78 ILE HG2% 1.0 1.8 4.80 600 536 A 17 PHE HEy A 19 ALA H 1.0 1.8 6.11 601 536 A 17 PHE HEx A 19 ALA H 1.0 1.8 6.11 602 537 A 17 PHE HEy A 19 ALA HA 1.0 1.8 5.14 603 537 A 17 PHE HEx A 19 ALA HA 1.0 1.8 5.14 604 538 A 30 PHE HZ A 17 PHE HEy 1.0 1.8 5.32 605 538 A 30 PHE HZ A 17 PHE HEx 1.0 1.8 5.32 606 539 A 17 PHE HEy A 78 ILE HG1y 1.0 1.8 6.67 607 539 A 17 PHE HEx A 78 ILE HG1y 1.0 1.8 6.67 608 540 A 17 PHE HEy A 78 ILE HG1x 1.0 1.8 6.46 609 540 A 17 PHE HEx A 78 ILE HG1x 1.0 1.8 6.46 610 541 A 17 PHE HEy A 81 ALA H 1.0 1.8 6.15 611 541 A 17 PHE HEx A 81 ALA H 1.0 1.8 6.15 612 542 A 17 PHE HEy A 81 ALA HA 1.0 1.8 4.84 613 542 A 17 PHE HEx A 81 ALA HA 1.0 1.8 4.84 614 543 A 81 ALA HB% A 17 PHE HEx 1.0 1.8 5.56 615 543 A 81 ALA HB% A 17 PHE HEy 1.0 1.8 5.56 616 544 A 17 PHE HEy A 97 VAL HA 1.0 1.8 6.67 617 544 A 17 PHE HEx A 97 VAL HA 1.0 1.8 6.67 618 545 A 17 PHE HEy A 97 VAL HB 1.0 1.8 5.81 619 545 A 17 PHE HEx A 97 VAL HB 1.0 1.8 5.81 620 546 A 17 PHE HEx A 97 VAL HGx% 1.0 1.8 5.16 621 546 A 17 PHE HEy A 97 VAL HGx% 1.0 1.8 5.16 622 547 A 97 VAL HGy% A 17 PHE HEy 1.0 1.8 6.82 623 547 A 97 VAL HGy% A 17 PHE HEx 1.0 1.8 6.82 624 548 A 18 LYS H A 18 LYS HBy 1.0 1.8 4.47 625 549 A 18 LYS H A 18 LYS HBx 1.0 1.8 4.55 626 550 A 18 LYS H A 18 LYS HGy 1.0 1.8 5.21 627 551 A 18 LYS H A 18 LYS HGx 1.0 1.8 5.12 628 552 A 18 LYS H A 21 ASP H 1.0 1.8 5.41 629 553 A 18 LYS H A 78 ILE HG2% 1.0 1.8 6.65 630 554 A 18 LYS HA A 18 LYS HDy 1.0 1.8 4.20 631 555 A 18 LYS HA A 18 LYS HEy 1.0 1.8 5.89 632 556 A 18 LYS HA A 18 LYS HEx 1.0 1.8 6.00 633 557 A 18 LYS HA A 18 LYS HGy 1.0 1.8 4.58 634 558 A 18 LYS HGx A 18 LYS HA 1.0 1.8 4.20 635 559 A 18 LYS HA A 19 ALA H 1.0 1.8 3.78 636 560 A 19 ALA H A 18 LYS HBy 1.0 1.8 4.50 637 561 A 19 ALA HA A 18 LYS HBy 1.0 1.8 6.00 638 562 A 18 LYS HBy A 21 ASP HBx 1.0 1.8 5.64 639 563 A 18 LYS HBx A 18 LYS HEy 1.0 1.8 5.29 640 564 A 18 LYS HBx A 19 ALA H 1.0 1.8 4.39 641 565 A 18 LYS HBx A 21 ASP HBy 1.0 1.8 6.00 642 566 A 21 ASP HBy A 18 LYS HDx 1.0 1.8 6.00 643 567 A 18 LYS HGx A 18 LYS HEy 1.0 1.8 4.69 644 568 A 18 LYS HGx A 21 ASP H 1.0 1.8 6.00 645 569 A 19 ALA H A 19 ALA HB% 1.0 1.8 4.69 646 570 A 19 ALA HA A 20 GLY H 1.0 1.8 3.59 647 571 A 19 ALA HA A 20 GLY HAx 1.0 1.8 4.83 648 571 A 19 ALA HA A 20 GLY HAy 1.0 1.8 4.83 649 572 A 21 ASP H A 19 ALA HA 1.0 1.8 4.60 650 573 A 78 ILE HD1% A 19 ALA HA 1.0 1.8 7.11 651 574 A 78 ILE HG2% A 19 ALA HA 1.0 1.8 5.26 652 575 A 19 ALA HA A 80 ASP HA 1.0 1.8 3.98 653 576 A 19 ALA HA A 80 ASP HBx 1.0 1.8 5.81 654 577 A 19 ALA HB% A 20 GLY H 1.0 1.8 5.15 655 578 A 21 ASP H A 19 ALA HB% 1.0 1.8 6.67 656 579 A 19 ALA HB% A 80 ASP HA 1.0 1.8 4.33 657 580 A 19 ALA HB% A 80 ASP HBy 1.0 1.8 5.63 658 581 A 19 ALA HB% A 80 ASP HBx 1.0 1.8 5.26 659 582 A 81 ALA H A 19 ALA HB% 1.0 1.8 6.01 660 583 A 81 ALA HA A 19 ALA HB% 1.0 1.8 5.48 661 584 A 21 ASP H A 20 GLY H 1.0 1.8 4.18 662 585 A 78 ILE HG2% A 20 GLY H 1.0 1.8 4.55 663 586 A 78 ILE HG2% A 20 GLY HAy 1.0 1.8 5.93 664 586 A 78 ILE HG2% A 20 GLY HAx 1.0 1.8 5.93 665 587 A 21 ASP H A 21 ASP HBy 1.0 1.8 3.83 666 588 A 21 ASP H A 21 ASP HBx 1.0 1.8 4.11 667 589 A 21 ASP H A 22 LYS H 1.0 1.8 5.14 668 590 A 78 ILE HG2% A 21 ASP H 1.0 1.8 4.85 669 591 A 22 LYS H A 21 ASP HA 1.0 1.8 3.48 670 592 A 21 ASP HA A 22 LYS HGy 1.0 1.8 5.67 671 593 A 78 ILE HG2% A 21 ASP HA 1.0 1.8 6.05 672 594 A 21 ASP HBy A 22 LYS H 1.0 1.8 4.50 673 595 A 78 ILE HG2% A 21 ASP HBy 1.0 1.8 5.33 674 596 A 21 ASP HBx A 22 LYS H 1.0 1.8 4.11 675 597 A 23 VAL HGx% A 21 ASP HBx 1.0 1.8 6.05 676 598 A 78 ILE HG2% A 21 ASP HBx 1.0 1.8 5.64 677 599 A 22 LYS H A 22 LYS HBx 1.0 1.8 3.78 678 600 A 22 LYS H A 22 LYS HDy 1.0 1.8 5.27 679 601 A 22 LYS H A 22 LYS HGy 1.0 1.8 4.67 680 602 A 22 LYS H A 22 LYS HGx 1.0 1.8 4.89 681 603 A 22 LYS H A 23 VAL H 1.0 1.8 5.19 682 604 A 22 LYS H A 77 THR HA 1.0 1.8 6.00 683 605 A 78 ILE HG2% A 22 LYS H 1.0 1.8 6.60 684 606 A 22 LYS HGy A 22 LYS HA 1.0 1.8 4.61 685 607 A 23 VAL H A 22 LYS HA 1.0 1.8 3.63 686 608 A 22 LYS HA A 23 VAL HGy% 1.0 1.8 6.38 687 609 A 78 ILE HG2% A 22 LYS HA 1.0 1.8 5.53 688 610 A 23 VAL H A 22 LYS HBy 1.0 1.8 4.55 689 611 A 22 LYS HDy A 77 THR H 1.0 1.8 6.00 690 612 A 22 LYS HDy A 77 THR HA 1.0 1.8 5.24 691 613 A 22 LYS HGy A 23 VAL H 1.0 1.8 5.30 692 614 A 22 LYS HGx A 22 LYS HEy 1.0 1.8 4.26 693 614 A 22 LYS HGx A 22 LYS HEx 1.0 1.8 4.26 694 615 A 22 LYS HEy A 102 LEU HDy% 1.0 1.8 7.54 695 615 A 22 LYS HEx A 102 LEU HDy% 1.0 1.8 7.54 696 616 A 22 LYS HEy A 77 THR HG2% 1.0 1.8 7.21 697 616 A 22 LYS HEx A 77 THR HG2% 1.0 1.8 7.21 698 617 A 23 VAL HGx% A 23 VAL H 1.0 1.8 6.34 699 618 A 23 VAL H A 23 VAL HGy% 1.0 1.8 4.79 700 619 A 23 VAL H A 76 GLY H 1.0 1.8 4.66 701 620 A 23 VAL HA A 23 VAL HB 1.0 1.8 3.34 702 621 A 23 VAL HGx% A 23 VAL HA 1.0 1.8 4.33 703 622 A 23 VAL HGy% A 23 VAL HA 1.0 1.8 4.94 704 623 A 23 VAL HA A 24 LYS H 1.0 1.8 3.71 705 624 A 23 VAL HA A 27 GLN HBy 1.0 1.8 5.27 706 625 A 27 GLN HE2x A 23 VAL HA 1.0 1.8 5.27 707 626 A 78 ILE HD1% A 23 VAL HA 1.0 1.8 6.62 708 627 A 23 VAL HB A 24 LYS H 1.0 1.8 4.16 709 628 A 27 GLN HE2x A 23 VAL HB 1.0 1.8 6.00 710 629 A 29 LEU HDy% A 23 VAL HB 1.0 1.8 5.75 711 630 A 23 VAL HB A 75 ASP HA 1.0 1.8 5.85 712 631 A 23 VAL HGx% A 24 LYS H 1.0 1.8 5.38 713 632 A 27 GLN HE2y A 23 VAL HGx% 1.0 1.8 6.88 714 633 A 27 GLN HE2x A 23 VAL HGx% 1.0 1.8 6.18 715 634 A 29 LEU HDy% A 23 VAL HGx% 1.0 1.8 6.15 716 635 A 23 VAL HGx% A 78 ILE HB 1.0 1.8 5.34 717 636 A 23 VAL HGx% A 78 ILE HD1% 1.0 1.8 5.87 718 637 A 23 VAL HGx% A 78 ILE HG2% 1.0 1.8 6.82 719 638 A 23 VAL HGy% A 24 LYS H 1.0 1.8 5.77 720 639 A 29 LEU HDy% A 23 VAL HGy% 1.0 1.8 6.17 721 640 A 23 VAL HGy% A 72 ALA HB% 1.0 1.8 5.82 722 641 A 73 PRO HDy A 23 VAL HGy% 1.0 1.8 5.38 723 642 A 23 VAL HGy% A 74 PHE H 1.0 1.8 7.11 724 643 A 23 VAL HGy% A 75 ASP HA 1.0 1.8 5.75 725 644 A 23 VAL HGy% A 76 GLY H 1.0 1.8 5.23 726 645 A 23 VAL HGy% A 76 GLY HAy 1.0 1.8 7.91 727 645 A 23 VAL HGy% A 76 GLY HAx 1.0 1.8 7.91 728 646 A 77 THR HA A 23 VAL HGy% 1.0 1.8 5.77 729 647 A 23 VAL HGy% A 77 THR HB 1.0 1.8 7.11 730 648 A 23 VAL HGy% A 78 ILE H 1.0 1.8 6.35 731 649 A 23 VAL HGy% A 78 ILE HA 1.0 1.8 5.96 732 650 A 78 ILE HD1% A 23 VAL HGy% 1.0 1.8 6.60 733 651 A 78 ILE HG2% A 23 VAL HGy% 1.0 1.8 7.26 734 652 A 24 LYS H A 24 LYS HBx 1.0 1.8 4.38 735 653 A 24 LYS H A 24 LYS HDx 1.0 1.8 5.29 736 654 A 24 LYS H A 24 LYS HGx 1.0 1.8 4.95 737 655 A 24 LYS H A 24 LYS HGy 1.0 1.8 4.59 738 656 A 24 LYS H A 27 GLN H 1.0 1.8 5.04 739 657 A 24 LYS H A 27 GLN HBy 1.0 1.8 4.51 740 658 A 24 LYS H A 27 GLN HBx 1.0 1.8 4.49 741 659 A 24 LYS H A 75 ASP HA 1.0 1.8 6.00 742 660 A 24 LYS HGx A 24 LYS HA 1.0 1.8 4.08 743 661 A 24 LYS HA A 25 LYS H 1.0 1.8 3.84 744 662 A 24 LYS HA A 25 LYS HA 1.0 1.8 5.69 745 663 A 27 GLN HBx A 24 LYS HA 1.0 1.8 4.96 746 664 A 25 LYS H A 24 LYS HBy 1.0 1.8 4.74 747 665 A 27 GLN HBy A 24 LYS HBy 1.0 1.8 5.33 748 666 A 24 LYS HBx A 24 LYS HEx 1.0 1.8 6.00 749 667 A 24 LYS HBx A 25 LYS H 1.0 1.8 4.75 750 668 A 24 LYS HBx A 27 GLN HA 1.0 1.8 5.98 751 669 A 27 GLN HBy A 24 LYS HBx 1.0 1.8 5.27 752 670 A 24 LYS HDy A 24 LYS HEy 1.0 1.8 3.19 753 671 A 25 LYS H A 24 LYS HEx 1.0 1.8 4.89 754 672 A 24 LYS HEx A 25 LYS HGy 1.0 1.8 4.94 755 673 A 24 LYS HEx A 25 LYS HGx 1.0 1.8 4.53 756 674 A 24 LYS HEy A 25 LYS HBx 1.0 1.8 5.74 757 675 A 24 LYS HGx A 24 LYS HEy 1.0 1.8 3.98 758 676 A 24 LYS HGx A 25 LYS H 1.0 1.8 4.80 759 677 A 25 LYS H A 25 LYS HBy 1.0 1.8 4.00 760 678 A 25 LYS H A 25 LYS HBx 1.0 1.8 4.16 761 679 A 25 LYS H A 25 LYS HGx 1.0 1.8 4.66 762 680 A 75 ASP HA A 25 LYS H 1.0 1.8 5.01 763 681 A 25 LYS H A 75 ASP HBy 1.0 1.8 5.90 764 682 A 25 LYS HA A 25 LYS HDx 1.0 1.8 4.15 765 683 A 25 LYS HA A 25 LYS HGy 1.0 1.8 4.42 766 684 A 25 LYS HA A 25 LYS HGx 1.0 1.8 4.13 767 685 A 25 LYS HA A 26 GLY H 1.0 1.8 3.94 768 686 A 74 PHE H A 25 LYS HA 1.0 1.8 4.96 769 687 A 25 LYS HA A 74 PHE HA 1.0 1.8 4.30 770 688 A 25 LYS HA A 75 ASP H 1.0 1.8 5.31 771 689 A 75 ASP HA A 25 LYS HA 1.0 1.8 5.55 772 690 A 25 LYS HBy A 75 ASP H 1.0 1.8 5.91 773 691 A 25 LYS HBx A 26 GLY H 1.0 1.8 5.52 774 692 A 25 LYS HBx A 74 PHE HA 1.0 1.8 4.40 775 693 A 25 LYS HBx A 74 PHE HBy 1.0 1.8 5.38 776 694 A 25 LYS HBx A 74 PHE HBx 1.0 1.8 6.00 777 695 A 25 LYS HBx A 75 ASP H 1.0 1.8 4.70 778 696 A 75 ASP HA A 25 LYS HBx 1.0 1.8 6.00 779 697 A 25 LYS HDx A 74 PHE HA 1.0 1.8 4.08 780 698 A 25 LYS HDx A 74 PHE HBy 1.0 1.8 5.05 781 699 A 25 LYS HDx A 74 PHE HDy 1.0 1.8 6.67 782 699 A 25 LYS HDx A 74 PHE HDx 1.0 1.8 6.67 783 700 A 25 LYS HDx A 75 ASP H 1.0 1.8 4.85 784 701 A 74 PHE HA A 25 LYS HEx 1.0 1.8 4.14 785 702 A 75 ASP H A 25 LYS HEx 1.0 1.8 4.16 786 703 A 27 GLN H A 26 GLY H 1.0 1.8 4.87 787 704 A 27 GLN HBy A 26 GLY H 1.0 1.8 6.00 788 705 A 27 GLN HBx A 26 GLY H 1.0 1.8 5.72 789 706 A 72 ALA HB% A 26 GLY H 1.0 1.8 5.90 790 707 A 26 GLY H A 74 PHE HA 1.0 1.8 4.59 791 708 A 26 GLY H A 75 ASP H 1.0 1.8 5.31 792 709 A 29 LEU HDx% A 26 GLY HAy 1.0 1.8 7.63 793 709 A 29 LEU HDx% A 26 GLY HAx 1.0 1.8 7.63 794 710 A 29 LEU HDy% A 26 GLY HAy 1.0 1.8 6.93 795 710 A 29 LEU HDy% A 26 GLY HAx 1.0 1.8 6.93 796 711 A 72 ALA HB% A 26 GLY HAy 1.0 1.8 7.04 797 711 A 72 ALA HB% A 26 GLY HAx 1.0 1.8 7.04 798 712 A 27 GLN HBy A 27 GLN H 1.0 1.8 4.06 799 713 A 27 GLN H A 27 GLN HBx 1.0 1.8 4.09 800 714 A 27 GLN H A 27 GLN HGy 1.0 1.8 5.22 801 715 A 27 GLN H A 27 GLN HGx 1.0 1.8 5.16 802 716 A 27 GLN H A 28 THR H 1.0 1.8 5.61 803 717 A 27 GLN H A 72 ALA H 1.0 1.8 5.19 804 718 A 72 ALA HB% A 27 GLN H 1.0 1.8 5.50 805 719 A 27 GLN HBy A 27 GLN HA 1.0 1.8 3.52 806 720 A 27 GLN HE2x A 27 GLN HA 1.0 1.8 6.00 807 721 A 27 GLN HA A 27 GLN HGy 1.0 1.8 3.92 808 722 A 27 GLN HA A 27 GLN HGx 1.0 1.8 4.20 809 723 A 27 GLN HA A 28 THR H 1.0 1.8 3.77 810 724 A 27 GLN HA A 72 ALA H 1.0 1.8 6.00 811 725 A 27 GLN HE2x A 27 GLN HBy 1.0 1.8 6.00 812 726 A 27 GLN HBy A 28 THR H 1.0 1.8 5.29 813 727 A 28 THR HB A 27 GLN HBy 1.0 1.8 5.36 814 728 A 29 LEU HDy% A 27 GLN HBy 1.0 1.8 5.81 815 729 A 27 GLN HE2x A 27 GLN HBx 1.0 1.8 6.00 816 730 A 27 GLN HBx A 27 GLN HGx 1.0 1.8 3.48 817 731 A 27 GLN HBx A 28 THR H 1.0 1.8 5.40 818 732 A 29 LEU HDy% A 27 GLN HBx 1.0 1.8 6.95 819 733 A 27 GLN HBx A 72 ALA H 1.0 1.8 6.00 820 734 A 72 ALA HB% A 27 GLN HBx 1.0 1.8 6.49 821 735 A 29 LEU HDy% A 27 GLN HE2y 1.0 1.8 7.11 822 736 A 29 LEU HDy% A 27 GLN HE2x 1.0 1.8 7.01 823 737 A 27 GLN HE2y A 27 GLN HGy 1.0 1.8 4.58 824 738 A 27 GLN HGy A 28 THR H 1.0 1.8 4.75 825 739 A 29 LEU HDy% A 27 GLN HGy 1.0 1.8 6.66 826 740 A 27 GLN HGx A 28 THR H 1.0 1.8 5.08 827 741 A 28 THR HB A 27 GLN HGx 1.0 1.8 6.00 828 742 A 29 LEU HDy% A 27 GLN HGx 1.0 1.8 6.04 829 743 A 28 THR HB A 28 THR H 1.0 1.8 4.07 830 744 A 28 THR HG2% A 28 THR H 1.0 1.8 6.04 831 745 A 28 THR HG2% A 28 THR HA 1.0 1.8 4.43 832 746 A 28 THR HA A 29 LEU H 1.0 1.8 4.07 833 747 A 29 LEU HBy A 28 THR HA 1.0 1.8 4.75 834 748 A 29 LEU HG A 28 THR HA 1.0 1.8 5.51 835 749 A 29 LEU HDx% A 28 THR HA 1.0 1.8 7.11 836 750 A 28 THR HA A 30 PHE H 1.0 1.8 4.92 837 751 A 28 THR HA A 71 LYS H 1.0 1.8 6.00 838 752 A 28 THR HA A 71 LYS HA 1.0 1.8 3.61 839 753 A 28 THR HA A 71 LYS HBy 1.0 1.8 5.45 840 754 A 28 THR HA A 71 LYS HBx 1.0 1.8 4.38 841 755 A 28 THR HA A 71 LYS HEx 1.0 1.8 5.53 842 756 A 28 THR HB A 29 LEU H 1.0 1.8 5.08 843 757 A 29 LEU HDy% A 28 THR HB 1.0 1.8 7.11 844 758 A 28 THR HB A 30 PHE H 1.0 1.8 6.00 845 759 A 28 THR HB A 69 GLU HBx 1.0 1.8 6.00 846 760 A 28 THR HG2% A 29 LEU H 1.0 1.8 5.41 847 761 A 29 LEU HDy% A 28 THR HG2% 1.0 1.8 8.43 848 762 A 28 THR HG2% A 30 PHE H 1.0 1.8 5.66 849 763 A 28 THR HG2% A 69 GLU HBy 1.0 1.8 5.69 850 764 A 28 THR HG2% A 69 GLU HBx 1.0 1.8 5.32 851 765 A 28 THR HG2% A 69 GLU HGx 1.0 1.8 6.57 852 765 A 28 THR HG2% A 69 GLU HGy 1.0 1.8 6.57 853 766 A 28 THR HG2% A 70 ILE H 1.0 1.8 5.59 854 767 A 28 THR HG2% A 71 LYS HA 1.0 1.8 6.55 855 768 A 29 LEU HBx A 29 LEU H 1.0 1.8 4.53 856 769 A 29 LEU HG A 29 LEU H 1.0 1.8 4.77 857 770 A 29 LEU HDx% A 29 LEU H 1.0 1.8 6.13 858 771 A 29 LEU HDy% A 29 LEU H 1.0 1.8 6.07 859 772 A 29 LEU H A 30 PHE H 1.0 1.8 4.64 860 773 A 72 ALA H A 29 LEU H 1.0 1.8 5.50 861 774 A 29 LEU HDx% A 29 LEU HA 1.0 1.8 4.76 862 775 A 29 LEU HDy% A 29 LEU HA 1.0 1.8 4.33 863 776 A 29 LEU HDx% A 29 LEU HBy 1.0 1.8 5.18 864 777 A 29 LEU HDy% A 29 LEU HBy 1.0 1.8 5.16 865 778 A 29 LEU HBy A 30 PHE H 1.0 1.8 4.45 866 779 A 30 PHE HDy A 29 LEU HBy 1.0 1.8 4.66 867 779 A 30 PHE HDx A 29 LEU HBy 1.0 1.8 4.66 868 780 A 29 LEU HBy A 70 ILE HB 1.0 1.8 6.00 869 781 A 29 LEU HBy A 71 LYS HA 1.0 1.8 6.00 870 782 A 78 ILE HD1% A 29 LEU HBy 1.0 1.8 7.11 871 783 A 29 LEU HDx% A 29 LEU HBx 1.0 1.8 5.09 872 784 A 29 LEU HDy% A 29 LEU HBx 1.0 1.8 5.04 873 785 A 29 LEU HBx A 30 PHE H 1.0 1.8 4.26 874 786 A 30 PHE HDy A 29 LEU HBx 1.0 1.8 4.99 875 786 A 30 PHE HDx A 29 LEU HBx 1.0 1.8 4.99 876 787 A 30 PHE HEy A 29 LEU HBx 1.0 1.8 6.20 877 787 A 30 PHE HEx A 29 LEU HBx 1.0 1.8 6.20 878 788 A 29 LEU HBx A 72 ALA H 1.0 1.8 6.00 879 789 A 78 ILE HD1% A 29 LEU HBx 1.0 1.8 7.11 880 790 A 29 LEU HG A 30 PHE H 1.0 1.8 5.39 881 791 A 30 PHE HDy A 29 LEU HG 1.0 1.8 6.13 882 791 A 30 PHE HDx A 29 LEU HG 1.0 1.8 6.13 883 792 A 29 LEU HG A 71 LYS HA 1.0 1.8 4.52 884 793 A 29 LEU HG A 72 ALA H 1.0 1.8 4.86 885 794 A 72 ALA HA A 29 LEU HG 1.0 1.8 6.00 886 795 A 29 LEU HG A 72 ALA HB% 1.0 1.8 5.63 887 796 A 78 ILE HD1% A 29 LEU HG 1.0 1.8 7.11 888 797 A 29 LEU HDx% A 30 PHE H 1.0 1.8 6.55 889 798 A 29 LEU HDx% A 30 PHE HDy 1.0 1.8 7.54 890 798 A 29 LEU HDx% A 30 PHE HDx 1.0 1.8 7.54 891 799 A 30 PHE HEy A 29 LEU HDx% 1.0 1.8 7.59 892 799 A 30 PHE HEx A 29 LEU HDx% 1.0 1.8 7.59 893 800 A 29 LEU HDx% A 70 ILE HG2% 1.0 1.8 7.83 894 801 A 29 LEU HDx% A 71 LYS HA 1.0 1.8 6.08 895 802 A 29 LEU HDx% A 72 ALA H 1.0 1.8 5.70 896 803 A 72 ALA HA A 29 LEU HDx% 1.0 1.8 4.99 897 804 A 29 LEU HDx% A 72 ALA HB% 1.0 1.8 5.79 898 805 A 73 PRO HDy A 29 LEU HDx% 1.0 1.8 6.41 899 806 A 73 PRO HDx A 29 LEU HDx% 1.0 1.8 6.66 900 807 A 29 LEU HDx% A 78 ILE HD1% 1.0 1.8 6.02 901 808 A 29 LEU HDy% A 30 PHE H 1.0 1.8 6.01 902 809 A 29 LEU HDy% A 71 LYS HA 1.0 1.8 7.11 903 810 A 29 LEU HDy% A 72 ALA H 1.0 1.8 6.35 904 811 A 29 LEU HDy% A 72 ALA HB% 1.0 1.8 6.87 905 812 A 29 LEU HDy% A 78 ILE HB 1.0 1.8 6.88 906 813 A 29 LEU HDy% A 78 ILE HG1x 1.0 1.8 7.11 907 814 A 29 LEU HDy% A 78 ILE HD1% 1.0 1.8 5.76 908 815 A 30 PHE HDy A 30 PHE H 1.0 1.8 5.38 909 815 A 30 PHE HDx A 30 PHE H 1.0 1.8 5.38 910 816 A 31 ILE H A 30 PHE H 1.0 1.8 5.69 911 817 A 30 PHE H A 70 ILE H 1.0 1.8 4.70 912 818 A 30 PHE H A 70 ILE HA 1.0 1.8 6.00 913 819 A 30 PHE H A 70 ILE HB 1.0 1.8 4.60 914 820 A 70 ILE HD1% A 30 PHE H 1.0 1.8 7.11 915 821 A 70 ILE HG2% A 30 PHE H 1.0 1.8 6.24 916 822 A 30 PHE H A 71 LYS HA 1.0 1.8 5.56 917 823 A 30 PHE HDy A 30 PHE HA 1.0 1.8 4.56 918 823 A 30 PHE HDx A 30 PHE HA 1.0 1.8 4.56 919 824 A 30 PHE HEy A 30 PHE HA 1.0 1.8 6.10 920 824 A 30 PHE HEx A 30 PHE HA 1.0 1.8 6.10 921 825 A 30 PHE HA A 31 ILE H 1.0 1.8 3.86 922 826 A 31 ILE HB A 30 PHE HA 1.0 1.8 4.95 923 827 A 30 PHE HA A 31 ILE HG1y 1.0 1.8 6.00 924 828 A 30 PHE HA A 31 ILE HG1x 1.0 1.8 6.00 925 829 A 30 PHE HA A 70 ILE HB 1.0 1.8 5.40 926 830 A 70 ILE HD1% A 30 PHE HA 1.0 1.8 5.89 927 831 A 30 PHE HBy A 31 ILE H 1.0 1.8 4.48 928 832 A 30 PHE HBy A 31 ILE HA 1.0 1.8 6.00 929 833 A 32 ILE HG1y A 30 PHE HBy 1.0 1.8 6.00 930 834 A 32 ILE HG1x A 30 PHE HBy 1.0 1.8 6.00 931 835 A 32 ILE HD1% A 30 PHE HBy 1.0 1.8 7.11 932 836 A 30 PHE HBy A 70 ILE H 1.0 1.8 6.00 933 837 A 30 PHE HBy A 70 ILE HB 1.0 1.8 4.36 934 838 A 30 PHE HBy A 70 ILE HG1y 1.0 1.8 5.73 935 839 A 30 PHE HBy A 70 ILE HG1x 1.0 1.8 5.79 936 840 A 70 ILE HD1% A 30 PHE HBy 1.0 1.8 6.59 937 841 A 70 ILE HG2% A 30 PHE HBy 1.0 1.8 6.47 938 842 A 96 LEU HDx% A 30 PHE HBy 1.0 1.8 7.11 939 843 A 30 PHE HBx A 31 ILE H 1.0 1.8 4.90 940 844 A 30 PHE HBx A 70 ILE H 1.0 1.8 5.58 941 845 A 30 PHE HBx A 70 ILE HB 1.0 1.8 4.84 942 846 A 30 PHE HBx A 70 ILE HG1y 1.0 1.8 5.88 943 847 A 70 ILE HD1% A 30 PHE HBx 1.0 1.8 5.51 944 848 A 30 PHE HZ A 81 ALA HA 1.0 1.8 4.55 945 849 A 30 PHE HZ A 81 ALA HB% 1.0 1.8 5.17 946 850 A 30 PHE HZ A 83 VAL HGx% 1.0 1.8 6.64 947 851 A 83 VAL HGy% A 30 PHE HZ 1.0 1.8 5.74 948 852 A 30 PHE HZ A 96 LEU HA 1.0 1.8 5.69 949 853 A 30 PHE HZ A 96 LEU HBy 1.0 1.8 5.14 950 854 A 30 PHE HZ A 96 LEU HBx 1.0 1.8 5.03 951 855 A 96 LEU HDx% A 30 PHE HZ 1.0 1.8 6.73 952 856 A 96 LEU HDy% A 30 PHE HZ 1.0 1.8 6.64 953 857 A 30 PHE HZ A 97 VAL HA 1.0 1.8 6.00 954 858 A 30 PHE HZ A 97 VAL HB 1.0 1.8 4.24 955 859 A 30 PHE HZ A 97 VAL HGx% 1.0 1.8 6.24 956 860 A 97 VAL HGy% A 30 PHE HZ 1.0 1.8 5.77 957 861 A 30 PHE HDy A 31 ILE H 1.0 1.8 5.73 958 861 A 30 PHE HDx A 31 ILE H 1.0 1.8 5.73 959 862 A 30 PHE HDy A 32 ILE HD1% 1.0 1.8 7.91 960 862 A 30 PHE HDx A 32 ILE HD1% 1.0 1.8 7.91 961 863 A 30 PHE HDy A 70 ILE H 1.0 1.8 6.19 962 863 A 30 PHE HDx A 70 ILE H 1.0 1.8 6.19 963 864 A 30 PHE HDy A 70 ILE HB 1.0 1.8 4.43 964 864 A 30 PHE HDx A 70 ILE HB 1.0 1.8 4.43 965 865 A 30 PHE HDy A 70 ILE HG1y 1.0 1.8 5.10 966 865 A 30 PHE HDx A 70 ILE HG1y 1.0 1.8 5.10 967 866 A 30 PHE HDy A 70 ILE HG1x 1.0 1.8 6.53 968 866 A 30 PHE HDx A 70 ILE HG1x 1.0 1.8 6.53 969 867 A 30 PHE HDy A 70 ILE HD1% 1.0 1.8 6.81 970 867 A 30 PHE HDx A 70 ILE HD1% 1.0 1.8 6.81 971 868 A 30 PHE HDx A 70 ILE HG2% 1.0 1.8 5.82 972 868 A 30 PHE HDy A 70 ILE HG2% 1.0 1.8 5.82 973 869 A 30 PHE HDx A 83 VAL HGy% 1.0 1.8 6.77 974 869 A 30 PHE HDy A 83 VAL HGy% 1.0 1.8 6.77 975 870 A 30 PHE HDy A 96 LEU HBx 1.0 1.8 5.92 976 870 A 30 PHE HDx A 96 LEU HBx 1.0 1.8 5.92 977 871 A 30 PHE HEy A 70 ILE HB 1.0 1.8 6.35 978 871 A 30 PHE HEx A 70 ILE HB 1.0 1.8 6.35 979 872 A 30 PHE HEx A 70 ILE HD1% 1.0 1.8 7.91 980 872 A 30 PHE HEy A 70 ILE HD1% 1.0 1.8 7.91 981 873 A 30 PHE HEx A 78 ILE HD1% 1.0 1.8 7.91 982 873 A 30 PHE HEy A 78 ILE HD1% 1.0 1.8 7.91 983 874 A 30 PHE HEy A 83 VAL HB 1.0 1.8 6.57 984 874 A 30 PHE HEx A 83 VAL HB 1.0 1.8 6.57 985 875 A 30 PHE HEx A 83 VAL HGy% 1.0 1.8 5.74 986 875 A 30 PHE HEy A 83 VAL HGy% 1.0 1.8 5.74 987 876 A 30 PHE HEy A 96 LEU HA 1.0 1.8 6.18 988 876 A 30 PHE HEx A 96 LEU HA 1.0 1.8 6.18 989 877 A 30 PHE HEy A 96 LEU HBy 1.0 1.8 4.90 990 877 A 30 PHE HEx A 96 LEU HBy 1.0 1.8 4.90 991 878 A 30 PHE HEy A 96 LEU HBx 1.0 1.8 4.83 992 878 A 30 PHE HEx A 96 LEU HBx 1.0 1.8 4.83 993 879 A 96 LEU HDx% A 30 PHE HEx 1.0 1.8 5.89 994 879 A 96 LEU HDx% A 30 PHE HEy 1.0 1.8 5.89 995 880 A 30 PHE HEx A 97 VAL HGx% 1.0 1.8 6.61 996 880 A 30 PHE HEy A 97 VAL HGx% 1.0 1.8 6.61 997 881 A 31 ILE HB A 31 ILE H 1.0 1.8 4.23 998 882 A 31 ILE H A 31 ILE HG1y 1.0 1.8 5.27 999 883 A 31 ILE HG1x A 31 ILE H 1.0 1.8 5.41 1000 884 A 31 ILE HD1% A 31 ILE H 1.0 1.8 6.79 1001 885 A 31 ILE HA A 31 ILE HG1x 1.0 1.8 4.26 1002 886 A 31 ILE HA A 31 ILE HD1% 1.0 1.8 4.96 1003 887 A 31 ILE HG2% A 31 ILE HA 1.0 1.8 4.87 1004 888 A 32 ILE H A 31 ILE HA 1.0 1.8 3.66 1005 889 A 31 ILE HA A 70 ILE H 1.0 1.8 4.99 1006 890 A 31 ILE HB A 32 ILE H 1.0 1.8 5.35 1007 891 A 32 ILE H A 31 ILE HG1x 1.0 1.8 5.57 1008 892 A 31 ILE HD1% A 67 HIS HBx 1.0 1.8 6.58 1009 893 A 31 ILE HG2% A 31 ILE HG1y 1.0 1.8 4.93 1010 894 A 31 ILE HG2% A 32 ILE H 1.0 1.8 5.16 1011 895 A 31 ILE HG2% A 67 HIS H 1.0 1.8 7.11 1012 896 A 67 HIS HA A 31 ILE HG2% 1.0 1.8 5.58 1013 897 A 31 ILE HG2% A 67 HIS HBx 1.0 1.8 4.86 1014 898 A 31 ILE HG2% A 67 HIS HD2 1.0 1.8 5.04 1015 899 A 31 ILE HG2% A 67 HIS HE1 1.0 1.8 6.28 1016 900 A 31 ILE HG2% A 68 THR H 1.0 1.8 6.52 1017 901 A 32 ILE HB A 32 ILE H 1.0 1.8 4.03 1018 902 A 32 ILE HG1y A 32 ILE H 1.0 1.8 4.64 1019 903 A 32 ILE HG1x A 32 ILE H 1.0 1.8 4.90 1020 904 A 32 ILE HD1% A 32 ILE H 1.0 1.8 5.96 1021 905 A 32 ILE H A 67 HIS HBx 1.0 1.8 5.76 1022 906 A 32 ILE H A 68 THR H 1.0 1.8 4.91 1023 907 A 68 THR HB A 32 ILE H 1.0 1.8 4.85 1024 908 A 68 THR HG2% A 32 ILE H 1.0 1.8 7.00 1025 909 A 70 ILE HD1% A 32 ILE H 1.0 1.8 7.11 1026 910 A 32 ILE HA A 32 ILE HG1y 1.0 1.8 4.30 1027 911 A 32 ILE HG1x A 32 ILE HA 1.0 1.8 4.75 1028 912 A 32 ILE HD1% A 32 ILE HA 1.0 1.8 5.76 1029 913 A 32 ILE HG2% A 32 ILE HA 1.0 1.8 4.92 1030 914 A 33 GLU H A 32 ILE HA 1.0 1.8 3.61 1031 915 A 33 GLU HBy A 32 ILE HA 1.0 1.8 5.36 1032 916 A 33 GLU HGy A 32 ILE HA 1.0 1.8 6.67 1033 916 A 33 GLU HGx A 32 ILE HA 1.0 1.8 6.67 1034 917 A 67 HIS HA A 32 ILE HB 1.0 1.8 6.00 1035 918 A 32 ILE HB A 68 THR H 1.0 1.8 4.93 1036 919 A 68 THR HB A 32 ILE HB 1.0 1.8 3.87 1037 920 A 70 ILE HD1% A 32 ILE HB 1.0 1.8 5.50 1038 921 A 32 ILE HD1% A 68 THR H 1.0 1.8 6.58 1039 922 A 32 ILE HD1% A 68 THR HB 1.0 1.8 6.77 1040 923 A 32 ILE HD1% A 70 ILE HG1x 1.0 1.8 5.94 1041 924 A 32 ILE HD1% A 70 ILE HD1% 1.0 1.8 5.81 1042 925 A 32 ILE HG2% A 33 GLU H 1.0 1.8 4.96 1043 926 A 32 ILE HG2% A 33 GLU HA 1.0 1.8 5.66 1044 927 A 32 ILE HG2% A 33 GLU HBx 1.0 1.8 6.46 1045 928 A 32 ILE HG2% A 33 GLU HGx 1.0 1.8 7.21 1046 928 A 32 ILE HG2% A 33 GLU HGy 1.0 1.8 7.21 1047 929 A 32 ILE HG2% A 34 GLN H 1.0 1.8 7.08 1048 930 A 32 ILE HG2% A 34 GLN HA 1.0 1.8 5.08 1049 931 A 32 ILE HG2% A 34 GLN HBy 1.0 1.8 6.52 1050 932 A 32 ILE HG2% A 35 ASP H 1.0 1.8 7.11 1051 933 A 32 ILE HG2% A 68 THR H 1.0 1.8 6.38 1052 934 A 32 ILE HG2% A 68 THR HB 1.0 1.8 5.82 1053 935 A 33 GLU H A 33 GLU HBy 1.0 1.8 4.49 1054 936 A 33 GLU H A 33 GLU HBx 1.0 1.8 4.52 1055 937 A 67 HIS HA A 33 GLU H 1.0 1.8 6.00 1056 938 A 33 GLU HGy A 33 GLU HA 1.0 1.8 4.66 1057 938 A 33 GLU HGx A 33 GLU HA 1.0 1.8 4.66 1058 939 A 33 GLU HA A 34 GLN H 1.0 1.8 3.70 1059 940 A 33 GLU HA A 35 ASP H 1.0 1.8 4.67 1060 941 A 67 HIS HA A 33 GLU HA 1.0 1.8 3.99 1061 942 A 67 HIS HD2 A 33 GLU HA 1.0 1.8 3.92 1062 943 A 68 THR H A 33 GLU HA 1.0 1.8 4.39 1063 944 A 33 GLU HBy A 67 HIS HD2 1.0 1.8 5.67 1064 945 A 67 HIS HD2 A 33 GLU HBx 1.0 1.8 5.11 1065 946 A 33 GLU HGy A 34 GLN H 1.0 1.8 4.84 1066 946 A 33 GLU HGx A 34 GLN H 1.0 1.8 4.84 1067 947 A 33 GLU HGy A 35 ASP H 1.0 1.8 5.53 1068 947 A 33 GLU HGx A 35 ASP H 1.0 1.8 5.53 1069 948 A 33 GLU HGy A 35 ASP HA 1.0 1.8 5.61 1070 948 A 33 GLU HGx A 35 ASP HA 1.0 1.8 5.61 1071 949 A 34 GLN HBy A 34 GLN H 1.0 1.8 4.20 1072 950 A 34 GLN HBx A 34 GLN H 1.0 1.8 4.34 1073 951 A 34 GLN H A 35 ASP H 1.0 1.8 5.69 1074 952 A 34 GLN H A 66 ASP HA 1.0 1.8 6.00 1075 953 A 67 HIS HA A 34 GLN H 1.0 1.8 5.28 1076 954 A 34 GLN HA A 34 GLN HGx 1.0 1.8 4.16 1077 955 A 34 GLN HA A 35 ASP H 1.0 1.8 3.74 1078 956 A 34 GLN HA A 35 ASP HBx 1.0 1.8 4.93 1079 957 A 34 GLN HE2y A 34 GLN HBy 1.0 1.8 5.76 1080 958 A 34 GLN HE2x A 34 GLN HBy 1.0 1.8 5.81 1081 959 A 34 GLN HBy A 34 GLN HGy 1.0 1.8 3.26 1082 960 A 34 GLN HBy A 35 ASP H 1.0 1.8 4.93 1083 961 A 34 GLN HBy A 66 ASP HA 1.0 1.8 4.67 1084 962 A 34 GLN HBy A 66 ASP HBy 1.0 1.8 4.12 1085 963 A 34 GLN HBy A 67 HIS HA 1.0 1.8 5.40 1086 964 A 34 GLN HE2y A 34 GLN HBx 1.0 1.8 5.79 1087 965 A 34 GLN HE2x A 34 GLN HBx 1.0 1.8 5.90 1088 966 A 34 GLN HBx A 35 ASP H 1.0 1.8 5.30 1089 967 A 34 GLN HE2y A 34 GLN HGy 1.0 1.8 4.38 1090 968 A 35 ASP H A 35 ASP HBx 1.0 1.8 4.20 1091 969 A 35 ASP HA A 35 ASP HBx 1.0 1.8 3.52 1092 970 A 35 ASP HBx A 36 GLN H 1.0 1.8 4.81 1093 971 A 36 GLN H A 36 GLN HBx 1.0 1.8 4.56 1094 972 A 36 GLN H A 36 GLN HGx 1.0 1.8 5.51 1095 973 A 36 GLN HA A 36 GLN HE2y 1.0 1.8 6.00 1096 974 A 36 GLN HA A 36 GLN HE2x 1.0 1.8 6.00 1097 975 A 36 GLN HA A 36 GLN HGy 1.0 1.8 4.71 1098 976 A 36 GLN HGx A 36 GLN HA 1.0 1.8 4.14 1099 977 A 36 GLN HA A 37 ALA HB% 1.0 1.8 6.08 1100 978 A 36 GLN HA A 38 SER H 1.0 1.8 6.00 1101 979 A 36 GLN HA A 39 LYS HEy 1.0 1.8 4.79 1102 980 A 36 GLN HA A 39 LYS HEx 1.0 1.8 5.79 1103 981 A 36 GLN HA A 39 LYS HBy 1.0 1.8 4.96 1104 981 A 36 GLN HA A 39 LYS HBx 1.0 1.8 4.96 1105 982 A 36 GLN HA A 39 LYS HDy 1.0 1.8 5.36 1106 982 A 36 GLN HA A 39 LYS HDx 1.0 1.8 5.36 1107 983 A 36 GLN HE2x A 36 GLN HBy 1.0 1.8 5.14 1108 984 A 36 GLN HBy A 37 ALA HA 1.0 1.8 6.00 1109 985 A 39 LYS HEy A 36 GLN HBy 1.0 1.8 6.00 1110 986 A 39 LYS HBy A 36 GLN HBy 1.0 1.8 3.50 1111 986 A 39 LYS HBx A 36 GLN HBy 1.0 1.8 3.50 1112 987 A 36 GLN HBx A 39 LYS HEy 1.0 1.8 5.14 1113 988 A 36 GLN HE2y A 39 LYS HEy 1.0 1.8 3.82 1114 989 A 36 GLN HE2y A 39 LYS HBy 1.0 1.8 6.42 1115 989 A 36 GLN HE2y A 39 LYS HBx 1.0 1.8 6.42 1116 990 A 36 GLN HE2x A 39 LYS HEy 1.0 1.8 4.63 1117 991 A 36 GLN HGx A 37 ALA H 1.0 1.8 6.00 1118 992 A 36 GLN HGx A 37 ALA HA 1.0 1.8 6.00 1119 993 A 36 GLN HGx A 39 LYS HEy 1.0 1.8 5.32 1120 994 A 37 ALA HB% A 37 ALA H 1.0 1.8 4.97 1121 995 A 38 SER H A 37 ALA H 1.0 1.8 5.42 1122 996 A 37 ALA HB% A 38 SER H 1.0 1.8 5.87 1123 997 A 37 ALA HB% A 38 SER HBy 1.0 1.8 6.59 1124 998 A 37 ALA HB% A 41 PHE HBx 1.0 1.8 7.91 1125 998 A 37 ALA HB% A 41 PHE HBy 1.0 1.8 7.91 1126 999 A 38 SER H A 38 SER HBx 1.0 1.8 4.63 1127 1000 A 38 SER HA A 39 LYS HA 1.0 1.8 5.30 1128 1001 A 39 LYS HBy A 38 SER HA 1.0 1.8 6.67 1129 1001 A 39 LYS HBx A 38 SER HA 1.0 1.8 6.67 1130 1002 A 41 PHE HBy A 38 SER HA 1.0 1.8 4.79 1131 1002 A 41 PHE HBx A 38 SER HA 1.0 1.8 4.79 1132 1003 A 38 SER HA A 41 PHE HDy 1.0 1.8 6.59 1133 1003 A 38 SER HA A 41 PHE HDx 1.0 1.8 6.59 1134 1004 A 38 SER HA A 42 ASN H 1.0 1.8 5.18 1135 1005 A 38 SER HBy A 39 LYS H 1.0 1.8 5.52 1136 1006 A 38 SER HBy A 39 LYS HA 1.0 1.8 4.77 1137 1007 A 38 SER HBy A 41 PHE HBy 1.0 1.8 6.18 1138 1007 A 38 SER HBy A 41 PHE HBx 1.0 1.8 6.18 1139 1008 A 38 SER HBy A 42 ASN HBx 1.0 1.8 5.34 1140 1009 A 41 PHE HBy A 38 SER HBx 1.0 1.8 5.47 1141 1009 A 41 PHE HBx A 38 SER HBx 1.0 1.8 5.47 1142 1010 A 38 SER HBx A 42 ASN HBx 1.0 1.8 5.22 1143 1011 A 39 LYS HA A 39 LYS HGy 1.0 1.8 4.39 1144 1012 A 39 LYS HA A 39 LYS HGx 1.0 1.8 3.37 1145 1013 A 39 LYS HBy A 39 LYS HA 1.0 1.8 3.70 1146 1013 A 39 LYS HBx A 39 LYS HA 1.0 1.8 3.70 1147 1014 A 39 LYS HDy A 39 LYS HA 1.0 1.8 5.16 1148 1014 A 39 LYS HDx A 39 LYS HA 1.0 1.8 5.16 1149 1015 A 39 LYS HA A 42 ASN HBx 1.0 1.8 4.88 1150 1016 A 39 LYS HEy A 39 LYS HGx 1.0 1.8 4.27 1151 1017 A 39 LYS HEy A 39 LYS HBy 1.0 1.8 5.29 1152 1017 A 39 LYS HEy A 39 LYS HBx 1.0 1.8 5.29 1153 1018 A 39 LYS HBy A 40 ASP H 1.0 1.8 5.63 1154 1018 A 39 LYS HBx A 40 ASP H 1.0 1.8 5.63 1155 1019 A 40 ASP HBy A 41 PHE H 1.0 1.8 5.24 1156 1020 A 41 PHE HDy A 40 ASP HBx 1.0 1.8 5.49 1157 1020 A 41 PHE HDx A 40 ASP HBx 1.0 1.8 5.49 1158 1021 A 41 PHE HBy A 41 PHE H 1.0 1.8 4.52 1159 1021 A 41 PHE HBx A 41 PHE H 1.0 1.8 4.52 1160 1022 A 41 PHE HBy A 41 PHE HA 1.0 1.8 3.86 1161 1022 A 41 PHE HBx A 41 PHE HA 1.0 1.8 3.86 1162 1023 A 41 PHE HDy A 41 PHE HA 1.0 1.8 4.68 1163 1023 A 41 PHE HDx A 41 PHE HA 1.0 1.8 4.68 1164 1024 A 41 PHE HBy A 42 ASN H 1.0 1.8 5.89 1165 1024 A 41 PHE HBx A 42 ASN H 1.0 1.8 5.89 1166 1025 A 41 PHE HDy A 42 ASN HA 1.0 1.8 6.01 1167 1025 A 41 PHE HDx A 42 ASN HA 1.0 1.8 6.01 1168 1026 A 41 PHE HDy A 45 LYS HEx 1.0 1.8 6.88 1169 1026 A 41 PHE HDy A 45 LYS HEy 1.0 1.8 6.88 1170 1026 A 41 PHE HDx A 45 LYS HEy 1.0 1.8 6.88 1171 1026 A 41 PHE HDx A 45 LYS HEx 1.0 1.8 6.88 1172 1027 A 42 ASN HA A 45 LYS H 1.0 1.8 5.28 1173 1028 A 42 ASN HA A 45 LYS HEy 1.0 1.8 4.14 1174 1028 A 42 ASN HA A 45 LYS HEx 1.0 1.8 4.14 1175 1029 A 42 ASN HBy A 43 ARG H 1.0 1.8 5.68 1176 1030 A 42 ASN HBy A 43 ARG HA 1.0 1.8 5.67 1177 1031 A 42 ASN HBx A 43 ARG HA 1.0 1.8 5.74 1178 1032 A 43 ARG HA A 43 ARG HGy 1.0 1.8 3.97 1179 1033 A 43 ARG HA A 43 ARG HGx 1.0 1.8 4.58 1180 1034 A 43 ARG HA A 43 ARG HDy 1.0 1.8 5.16 1181 1034 A 43 ARG HA A 43 ARG HDx 1.0 1.8 5.16 1182 1035 A 43 ARG HDy A 43 ARG HBy 1.0 1.8 4.87 1183 1035 A 43 ARG HDx A 43 ARG HBy 1.0 1.8 4.87 1184 1036 A 43 ARG HDy A 43 ARG HBx 1.0 1.8 4.28 1185 1036 A 43 ARG HDx A 43 ARG HBx 1.0 1.8 4.28 1186 1037 A 43 ARG HGx A 43 ARG HDy 1.0 1.8 3.88 1187 1037 A 43 ARG HGx A 43 ARG HDx 1.0 1.8 3.88 1188 1038 A 44 SER HA A 44 SER HBx 1.0 1.8 3.24 1189 1039 A 44 SER HA A 47 LEU HDx% 1.0 1.8 5.80 1190 1040 A 46 ALA HA A 47 LEU H 1.0 1.8 4.05 1191 1041 A 47 LEU H A 46 ALA HB% 1.0 1.8 5.45 1192 1042 A 47 LEU H A 47 LEU HBy 1.0 1.8 4.11 1193 1043 A 47 LEU H A 47 LEU HG 1.0 1.8 5.09 1194 1044 A 47 LEU HG A 47 LEU HA 1.0 1.8 3.93 1195 1045 A 47 LEU HDx% A 47 LEU HA 1.0 1.8 5.81 1196 1046 A 47 LEU HA A 47 LEU HDy% 1.0 1.8 4.66 1197 1047 A 47 LEU HA A 48 PHE HBy 1.0 1.8 5.22 1198 1048 A 47 LEU HA A 48 PHE HDy 1.0 1.8 6.59 1199 1048 A 47 LEU HA A 48 PHE HDx 1.0 1.8 6.59 1200 1049 A 47 LEU HBy A 48 PHE HDy 1.0 1.8 6.67 1201 1049 A 47 LEU HBy A 48 PHE HDx 1.0 1.8 6.67 1202 1050 A 47 LEU HDy% A 47 LEU HBx 1.0 1.8 4.79 1203 1051 A 47 LEU HBx A 48 PHE H 1.0 1.8 5.36 1204 1052 A 48 PHE HBy A 47 LEU HBx 1.0 1.8 5.62 1205 1053 A 47 LEU HBx A 48 PHE HBx 1.0 1.8 6.00 1206 1054 A 48 PHE HDy A 47 LEU HBx 1.0 1.8 6.00 1207 1054 A 48 PHE HDx A 47 LEU HBx 1.0 1.8 6.00 1208 1055 A 47 LEU HG A 48 PHE HDy 1.0 1.8 6.67 1209 1055 A 47 LEU HG A 48 PHE HDx 1.0 1.8 6.67 1210 1056 A 47 LEU HDx% A 48 PHE HBy 1.0 1.8 7.09 1211 1057 A 47 LEU HDy% A 48 PHE HDx 1.0 1.8 7.91 1212 1057 A 47 LEU HDy% A 48 PHE HDy 1.0 1.8 7.91 1213 1058 A 48 PHE HDy A 48 PHE HA 1.0 1.8 4.92 1214 1058 A 48 PHE HDx A 48 PHE HA 1.0 1.8 4.92 1215 1059 A 48 PHE HDy A 49 SER HA 1.0 1.8 6.67 1216 1059 A 48 PHE HDx A 49 SER HA 1.0 1.8 6.67 1217 1060 A 50 GLN HA A 50 GLN HGy 1.0 1.8 4.66 1218 1060 A 50 GLN HA A 50 GLN HGx 1.0 1.8 4.66 1219 1061 A 50 GLN HBy A 50 GLN HE2x 1.0 1.8 5.11 1220 1062 A 50 GLN HGy A 50 GLN HBy 1.0 1.8 3.86 1221 1062 A 50 GLN HGx A 50 GLN HBy 1.0 1.8 3.86 1222 1063 A 50 GLN HBx A 51 SER HA 1.0 1.8 6.00 1223 1064 A 50 GLN HGy A 50 GLN HE2y 1.0 1.8 4.63 1224 1064 A 50 GLN HGx A 50 GLN HE2y 1.0 1.8 4.63 1225 1065 A 52 ALA HA A 53 ILE HB 1.0 1.8 6.00 1226 1066 A 52 ALA HA A 53 ILE HD1% 1.0 1.8 6.86 1227 1067 A 52 ALA HB% A 53 ILE H 1.0 1.8 6.66 1228 1068 A 53 ILE HB A 52 ALA HB% 1.0 1.8 6.00 1229 1069 A 53 ILE HD1% A 52 ALA HB% 1.0 1.8 7.94 1230 1070 A 53 ILE HB A 53 ILE H 1.0 1.8 4.52 1231 1071 A 53 ILE H A 53 ILE HG1y 1.0 1.8 5.19 1232 1072 A 53 ILE H A 53 ILE HG1x 1.0 1.8 5.21 1233 1073 A 53 ILE H A 53 ILE HG2% 1.0 1.8 6.22 1234 1074 A 53 ILE H A 58 TYR HBx 1.0 1.8 6.00 1235 1075 A 53 ILE HG1y A 53 ILE HA 1.0 1.8 4.62 1236 1076 A 53 ILE HG1x A 53 ILE HA 1.0 1.8 4.56 1237 1077 A 53 ILE HD1% A 53 ILE HA 1.0 1.8 6.42 1238 1078 A 53 ILE HG2% A 53 ILE HA 1.0 1.8 4.80 1239 1079 A 53 ILE HA A 54 SER HA 1.0 1.8 5.72 1240 1080 A 53 ILE HB A 54 SER H 1.0 1.8 5.59 1241 1081 A 53 ILE HD1% A 58 TYR HBy 1.0 1.8 6.52 1242 1082 A 53 ILE HD1% A 58 TYR HDy 1.0 1.8 7.91 1243 1082 A 53 ILE HD1% A 58 TYR HDx 1.0 1.8 7.91 1244 1083 A 53 ILE HG1x A 53 ILE HG2% 1.0 1.8 4.40 1245 1084 A 53 ILE HG2% A 54 SER H 1.0 1.8 7.11 1246 1085 A 53 ILE HG2% A 58 TYR HBx 1.0 1.8 6.86 1247 1086 A 54 SER HA A 54 SER HBy 1.0 1.8 3.48 1248 1087 A 54 SER HA A 54 SER HBx 1.0 1.8 3.24 1249 1088 A 54 SER HBy A 57 GLU HGx 1.0 1.8 6.00 1250 1089 A 54 SER HBx A 55 GLN HGy 1.0 1.8 6.67 1251 1089 A 54 SER HBx A 55 GLN HGx 1.0 1.8 6.67 1252 1090 A 54 SER HBx A 56 LYS H 1.0 1.8 4.88 1253 1091 A 54 SER HBx A 56 LYS HGx 1.0 1.8 4.78 1254 1092 A 55 GLN HGy A 55 GLN HA 1.0 1.8 4.59 1255 1092 A 55 GLN HGx A 55 GLN HA 1.0 1.8 4.59 1256 1093 A 58 TYR HBy A 55 GLN HA 1.0 1.8 6.00 1257 1094 A 58 TYR HBx A 55 GLN HA 1.0 1.8 4.56 1258 1095 A 58 TYR HDy A 55 GLN HA 1.0 1.8 6.27 1259 1095 A 58 TYR HDx A 55 GLN HA 1.0 1.8 6.27 1260 1096 A 55 GLN HA A 58 TYR HEy 1.0 1.8 5.52 1261 1096 A 55 GLN HA A 58 TYR HEx 1.0 1.8 5.52 1262 1097 A 55 GLN HBy A 55 GLN HE2x 1.0 1.8 4.05 1263 1098 A 55 GLN HGy A 55 GLN HBy 1.0 1.8 3.79 1264 1098 A 55 GLN HGx A 55 GLN HBy 1.0 1.8 3.79 1265 1099 A 56 LYS H A 55 GLN HBy 1.0 1.8 6.00 1266 1100 A 55 GLN HGy A 55 GLN HBx 1.0 1.8 3.68 1267 1100 A 55 GLN HGx A 55 GLN HBx 1.0 1.8 3.68 1268 1101 A 55 GLN HBx A 56 LYS HGy 1.0 1.8 5.06 1269 1102 A 58 TYR HEy A 55 GLN HBx 1.0 1.8 4.60 1270 1102 A 58 TYR HEx A 55 GLN HBx 1.0 1.8 4.60 1271 1103 A 55 GLN HGy A 56 LYS HGy 1.0 1.8 6.13 1272 1103 A 55 GLN HGx A 56 LYS HGy 1.0 1.8 6.13 1273 1104 A 58 TYR HDx A 55 GLN HGy 1.0 1.8 5.78 1274 1104 A 58 TYR HDy A 55 GLN HGy 1.0 1.8 5.78 1275 1104 A 58 TYR HDy A 55 GLN HGx 1.0 1.8 5.78 1276 1104 A 58 TYR HDx A 55 GLN HGx 1.0 1.8 5.78 1277 1105 A 55 GLN HGy A 58 TYR HEy 1.0 1.8 7.14 1278 1105 A 55 GLN HGy A 58 TYR HEx 1.0 1.8 7.14 1279 1105 A 55 GLN HGx A 58 TYR HEy 1.0 1.8 7.14 1280 1105 A 55 GLN HGx A 58 TYR HEx 1.0 1.8 7.14 1281 1106 A 56 LYS H A 56 LYS HBy 1.0 1.8 4.36 1282 1107 A 56 LYS H A 56 LYS HGx 1.0 1.8 5.34 1283 1108 A 56 LYS HA A 56 LYS HBx 1.0 1.8 3.51 1284 1109 A 56 LYS HGy A 56 LYS HA 1.0 1.8 4.13 1285 1110 A 58 TYR HEy A 56 LYS HA 1.0 1.8 5.14 1286 1110 A 58 TYR HEx A 56 LYS HA 1.0 1.8 5.14 1287 1111 A 56 LYS HBy A 57 GLU H 1.0 1.8 5.27 1288 1112 A 57 GLU HA A 57 GLU HGy 1.0 1.8 4.59 1289 1113 A 57 GLU HGx A 57 GLU HA 1.0 1.8 3.95 1290 1114 A 58 TYR HBy A 57 GLU HBy 1.0 1.8 6.00 1291 1115 A 58 TYR HBx A 57 GLU HBy 1.0 1.8 5.81 1292 1116 A 58 TYR HBx A 57 GLU HBx 1.0 1.8 6.00 1293 1117 A 58 TYR HDy A 57 GLU HBx 1.0 1.8 6.67 1294 1117 A 58 TYR HDx A 57 GLU HBx 1.0 1.8 6.67 1295 1118 A 58 TYR HBy A 58 TYR H 1.0 1.8 4.35 1296 1119 A 58 TYR HBx A 58 TYR H 1.0 1.8 4.15 1297 1120 A 58 TYR HDy A 58 TYR H 1.0 1.8 6.06 1298 1120 A 58 TYR HDx A 58 TYR H 1.0 1.8 6.06 1299 1121 A 58 TYR HDy A 58 TYR HA 1.0 1.8 4.62 1300 1121 A 58 TYR HDx A 58 TYR HA 1.0 1.8 4.62 1301 1122 A 58 TYR HBx A 59 ASP H 1.0 1.8 4.92 1302 1123 A 58 TYR HEy A 62 LEU HDx% 1.0 1.8 7.35 1303 1123 A 58 TYR HEx A 62 LEU HDx% 1.0 1.8 7.35 1304 1124 A 58 TYR HEy A 62 LEU HDy% 1.0 1.8 7.91 1305 1124 A 58 TYR HEx A 62 LEU HDy% 1.0 1.8 7.91 1306 1125 A 59 ASP H A 60 SER H 1.0 1.8 5.66 1307 1126 A 59 ASP HA A 59 ASP HBy 1.0 1.8 3.23 1308 1127 A 59 ASP HA A 62 LEU HBy 1.0 1.8 6.00 1309 1128 A 59 ASP HA A 62 LEU HBx 1.0 1.8 6.00 1310 1129 A 59 ASP HBy A 62 LEU HBy 1.0 1.8 6.00 1311 1130 A 59 ASP HBy A 62 LEU HBx 1.0 1.8 5.99 1312 1131 A 59 ASP HBy A 62 LEU HG 1.0 1.8 5.48 1313 1132 A 61 SER H A 63 ALA H 1.0 1.8 4.94 1314 1133 A 61 SER HA A 61 SER HBx 1.0 1.8 3.40 1315 1134 A 61 SER HBx A 62 LEU H 1.0 1.8 5.40 1316 1135 A 62 LEU HDx% A 61 SER HBx 1.0 1.8 7.11 1317 1136 A 62 LEU HDy% A 61 SER HBx 1.0 1.8 5.56 1318 1137 A 62 LEU HDy% A 61 SER HBy 1.0 1.8 6.78 1319 1138 A 62 LEU HBy A 62 LEU H 1.0 1.8 4.53 1320 1139 A 62 LEU HBx A 62 LEU H 1.0 1.8 3.92 1321 1140 A 62 LEU HG A 62 LEU H 1.0 1.8 4.80 1322 1141 A 62 LEU HDy% A 62 LEU H 1.0 1.8 6.90 1323 1142 A 63 ALA H A 62 LEU H 1.0 1.8 5.00 1324 1143 A 62 LEU HBx A 62 LEU HA 1.0 1.8 3.36 1325 1144 A 62 LEU HG A 62 LEU HA 1.0 1.8 4.30 1326 1145 A 62 LEU HDx% A 62 LEU HA 1.0 1.8 5.11 1327 1146 A 62 LEU HBx A 63 ALA H 1.0 1.8 5.18 1328 1147 A 62 LEU HBx A 63 ALA HB% 1.0 1.8 4.64 1329 1148 A 63 ALA H A 63 ALA HB% 1.0 1.8 4.79 1330 1149 A 63 ALA HA A 64 THR H 1.0 1.8 3.63 1331 1150 A 63 ALA HB% A 64 THR H 1.0 1.8 6.22 1332 1151 A 63 ALA HB% A 64 THR HA 1.0 1.8 6.19 1333 1152 A 63 ALA HB% A 64 THR HB 1.0 1.8 7.11 1334 1153 A 64 THR H A 64 THR HG2% 1.0 1.8 6.30 1335 1154 A 64 THR H A 66 ASP H 1.0 1.8 5.16 1336 1155 A 64 THR HA A 64 THR HG2% 1.0 1.8 4.51 1337 1156 A 64 THR HA A 65 LEU H 1.0 1.8 3.71 1338 1157 A 64 THR HA A 65 LEU HDy% 1.0 1.8 7.11 1339 1158 A 64 THR HA A 66 ASP H 1.0 1.8 6.00 1340 1159 A 64 THR HB A 65 LEU H 1.0 1.8 4.45 1341 1160 A 64 THR HB A 65 LEU HG 1.0 1.8 5.17 1342 1161 A 64 THR HB A 65 LEU HDy% 1.0 1.8 7.11 1343 1162 A 64 THR HB A 66 ASP H 1.0 1.8 6.00 1344 1163 A 64 THR HB A 67 HIS HBy 1.0 1.8 6.00 1345 1164 A 64 THR HG2% A 65 LEU H 1.0 1.8 6.78 1346 1165 A 64 THR HG2% A 65 LEU HDx% 1.0 1.8 5.75 1347 1166 A 64 THR HG2% A 67 HIS HBy 1.0 1.8 7.11 1348 1167 A 67 HIS HE1 A 64 THR HG2% 1.0 1.8 7.11 1349 1168 A 65 LEU H A 65 LEU HBy 1.0 1.8 4.31 1350 1169 A 65 LEU H A 65 LEU HBx 1.0 1.8 4.59 1351 1170 A 65 LEU H A 65 LEU HG 1.0 1.8 4.13 1352 1171 A 65 LEU H A 65 LEU HDx% 1.0 1.8 6.05 1353 1172 A 65 LEU H A 65 LEU HDy% 1.0 1.8 6.16 1354 1173 A 66 ASP H A 65 LEU H 1.0 1.8 4.83 1355 1174 A 65 LEU HG A 65 LEU HA 1.0 1.8 4.46 1356 1175 A 65 LEU HDy% A 65 LEU HA 1.0 1.8 4.34 1357 1176 A 66 ASP H A 65 LEU HA 1.0 1.8 3.81 1358 1177 A 65 LEU HA A 66 ASP HBx 1.0 1.8 5.77 1359 1178 A 65 LEU HDy% A 65 LEU HBy 1.0 1.8 4.56 1360 1179 A 66 ASP H A 65 LEU HBy 1.0 1.8 5.08 1361 1180 A 67 HIS HE1 A 65 LEU HBy 1.0 1.8 5.77 1362 1181 A 66 ASP H A 65 LEU HBx 1.0 1.8 5.08 1363 1182 A 67 HIS HE1 A 65 LEU HDx% 1.0 1.8 6.54 1364 1183 A 66 ASP H A 65 LEU HDy% 1.0 1.8 6.95 1365 1184 A 67 HIS HE1 A 65 LEU HDy% 1.0 1.8 7.11 1366 1185 A 66 ASP HBy A 66 ASP H 1.0 1.8 4.64 1367 1186 A 66 ASP H A 66 ASP HBx 1.0 1.8 4.35 1368 1187 A 67 HIS H A 66 ASP H 1.0 1.8 5.11 1369 1188 A 67 HIS H A 66 ASP HA 1.0 1.8 4.03 1370 1189 A 67 HIS HA A 66 ASP HA 1.0 1.8 4.97 1371 1190 A 67 HIS HBx A 67 HIS H 1.0 1.8 4.24 1372 1191 A 67 HIS HA A 67 HIS HD2 1.0 1.8 4.04 1373 1192 A 67 HIS HA A 68 THR HA 1.0 1.8 5.34 1374 1193 A 67 HIS HA A 68 THR HB 1.0 1.8 5.22 1375 1194 A 67 HIS HBx A 68 THR H 1.0 1.8 4.57 1376 1195 A 67 HIS HBx A 68 THR HA 1.0 1.8 5.43 1377 1196 A 68 THR HB A 68 THR H 1.0 1.8 4.19 1378 1197 A 68 THR HG2% A 68 THR H 1.0 1.8 6.40 1379 1198 A 68 THR HG2% A 68 THR HA 1.0 1.8 4.37 1380 1199 A 68 THR HA A 69 GLU H 1.0 1.8 3.59 1381 1200 A 68 THR HB A 69 GLU H 1.0 1.8 5.07 1382 1201 A 68 THR HG2% A 69 GLU H 1.0 1.8 5.28 1383 1202 A 68 THR HG2% A 69 GLU HGy 1.0 1.8 7.11 1384 1202 A 68 THR HG2% A 69 GLU HGx 1.0 1.8 7.11 1385 1203 A 69 GLU HBy A 69 GLU H 1.0 1.8 4.54 1386 1204 A 69 GLU HBx A 69 GLU H 1.0 1.8 4.62 1387 1205 A 69 GLU HGy A 69 GLU H 1.0 1.8 5.10 1388 1205 A 69 GLU HGx A 69 GLU H 1.0 1.8 5.10 1389 1206 A 69 GLU HBx A 70 ILE H 1.0 1.8 5.54 1390 1207 A 70 ILE H A 70 ILE HB 1.0 1.8 4.50 1391 1208 A 70 ILE H A 70 ILE HG1y 1.0 1.8 4.90 1392 1209 A 70 ILE H A 70 ILE HG1x 1.0 1.8 5.10 1393 1210 A 70 ILE HD1% A 70 ILE H 1.0 1.8 6.11 1394 1211 A 70 ILE HG2% A 70 ILE H 1.0 1.8 5.98 1395 1212 A 70 ILE HD1% A 70 ILE HA 1.0 1.8 4.40 1396 1213 A 70 ILE HG2% A 70 ILE HA 1.0 1.8 4.62 1397 1214 A 71 LYS H A 70 ILE HA 1.0 1.8 3.74 1398 1215 A 71 LYS HA A 70 ILE HA 1.0 1.8 6.00 1399 1216 A 70 ILE HD1% A 70 ILE HB 1.0 1.8 5.32 1400 1217 A 71 LYS H A 70 ILE HB 1.0 1.8 5.54 1401 1218 A 96 LEU HDx% A 70 ILE HB 1.0 1.8 6.54 1402 1219 A 96 LEU HDx% A 70 ILE HD1% 1.0 1.8 5.88 1403 1220 A 70 ILE HD1% A 70 ILE HG2% 1.0 1.8 5.36 1404 1221 A 70 ILE HG2% A 71 LYS H 1.0 1.8 5.58 1405 1222 A 70 ILE HG2% A 71 LYS HA 1.0 1.8 7.11 1406 1223 A 72 ALA HA A 70 ILE HG2% 1.0 1.8 6.55 1407 1224 A 96 LEU HDx% A 70 ILE HG2% 1.0 1.8 5.97 1408 1225 A 71 LYS H A 71 LYS HBy 1.0 1.8 4.34 1409 1226 A 72 ALA HA A 71 LYS H 1.0 1.8 6.00 1410 1227 A 71 LYS HA A 71 LYS HEx 1.0 1.8 5.73 1411 1228 A 72 ALA H A 71 LYS HA 1.0 1.8 3.94 1412 1229 A 72 ALA HA A 71 LYS HA 1.0 1.8 5.70 1413 1230 A 72 ALA HB% A 71 LYS HA 1.0 1.8 5.98 1414 1231 A 71 LYS HBy A 71 LYS HEy 1.0 1.8 5.98 1415 1232 A 71 LYS HBy A 71 LYS HEx 1.0 1.8 3.86 1416 1233 A 72 ALA H A 71 LYS HBy 1.0 1.8 4.74 1417 1234 A 71 LYS HBx A 71 LYS HEy 1.0 1.8 6.00 1418 1235 A 72 ALA H A 71 LYS HBx 1.0 1.8 5.13 1419 1236 A 72 ALA HB% A 72 ALA H 1.0 1.8 4.84 1420 1237 A 73 PRO HDx A 72 ALA H 1.0 1.8 6.00 1421 1238 A 72 ALA HA A 73 PRO HDy 1.0 1.8 3.92 1422 1239 A 73 PRO HDx A 72 ALA HA 1.0 1.8 3.80 1423 1240 A 72 ALA HA A 73 PRO HGy 1.0 1.8 5.03 1424 1241 A 72 ALA HA A 74 PHE H 1.0 1.8 5.05 1425 1242 A 72 ALA HA A 78 ILE HD1% 1.0 1.8 7.11 1426 1243 A 72 ALA HA A 99 VAL HGx% 1.0 1.8 5.15 1427 1244 A 72 ALA HB% A 73 PRO HA 1.0 1.8 6.84 1428 1245 A 73 PRO HDy A 72 ALA HB% 1.0 1.8 6.23 1429 1246 A 73 PRO HDx A 72 ALA HB% 1.0 1.8 5.70 1430 1247 A 72 ALA HB% A 74 PHE H 1.0 1.8 5.48 1431 1248 A 78 ILE HD1% A 72 ALA HB% 1.0 1.8 8.43 1432 1249 A 74 PHE HDy A 73 PRO HA 1.0 1.8 5.85 1433 1249 A 74 PHE HDx A 73 PRO HA 1.0 1.8 5.85 1434 1250 A 74 PHE HDy A 73 PRO HBy 1.0 1.8 5.58 1435 1250 A 74 PHE HDx A 73 PRO HBy 1.0 1.8 5.58 1436 1251 A 74 PHE H A 73 PRO HBx 1.0 1.8 4.40 1437 1252 A 74 PHE HDy A 73 PRO HBx 1.0 1.8 4.62 1438 1252 A 74 PHE HDx A 73 PRO HBx 1.0 1.8 4.62 1439 1253 A 73 PRO HBx A 74 PHE HEy 1.0 1.8 5.16 1440 1253 A 73 PRO HBx A 74 PHE HEx 1.0 1.8 5.16 1441 1254 A 73 PRO HDy A 74 PHE H 1.0 1.8 4.96 1442 1255 A 73 PRO HDy A 74 PHE HDy 1.0 1.8 6.67 1443 1255 A 73 PRO HDy A 74 PHE HDx 1.0 1.8 6.67 1444 1256 A 73 PRO HDy A 99 VAL HGx% 1.0 1.8 7.11 1445 1257 A 73 PRO HDx A 74 PHE H 1.0 1.8 5.16 1446 1258 A 73 PRO HDx A 99 VAL HGx% 1.0 1.8 5.96 1447 1259 A 74 PHE H A 73 PRO HGy 1.0 1.8 5.37 1448 1260 A 74 PHE H A 73 PRO HGx 1.0 1.8 4.80 1449 1261 A 74 PHE HDy A 73 PRO HGx 1.0 1.8 4.55 1450 1261 A 74 PHE HDx A 73 PRO HGx 1.0 1.8 4.55 1451 1262 A 74 PHE HEy A 73 PRO HGx 1.0 1.8 4.74 1452 1262 A 74 PHE HEx A 73 PRO HGx 1.0 1.8 4.74 1453 1263 A 74 PHE H A 74 PHE HBx 1.0 1.8 4.41 1454 1264 A 74 PHE H A 74 PHE HDy 1.0 1.8 5.21 1455 1264 A 74 PHE H A 74 PHE HDx 1.0 1.8 5.21 1456 1265 A 74 PHE H A 75 ASP H 1.0 1.8 5.19 1457 1266 A 74 PHE H A 99 VAL HGx% 1.0 1.8 6.25 1458 1267 A 74 PHE HA A 74 PHE HDy 1.0 1.8 4.88 1459 1267 A 74 PHE HA A 74 PHE HDx 1.0 1.8 4.88 1460 1268 A 74 PHE HA A 75 ASP H 1.0 1.8 3.94 1461 1269 A 74 PHE HA A 99 VAL HGx% 1.0 1.8 7.11 1462 1270 A 75 ASP H A 74 PHE HBy 1.0 1.8 4.35 1463 1271 A 75 ASP H A 74 PHE HBx 1.0 1.8 4.36 1464 1272 A 74 PHE HDy A 101 ASN HA 1.0 1.8 5.11 1465 1272 A 74 PHE HDx A 101 ASN HA 1.0 1.8 5.11 1466 1273 A 74 PHE HDy A 101 ASN HBy 1.0 1.8 5.38 1467 1273 A 74 PHE HDx A 101 ASN HBy 1.0 1.8 5.38 1468 1274 A 74 PHE HDy A 101 ASN HBx 1.0 1.8 5.58 1469 1274 A 74 PHE HDx A 101 ASN HBx 1.0 1.8 5.58 1470 1275 A 75 ASP H A 74 PHE HDy 1.0 1.8 5.84 1471 1275 A 75 ASP H A 74 PHE HDx 1.0 1.8 5.84 1472 1276 A 76 GLY H A 74 PHE HDy 1.0 1.8 6.10 1473 1276 A 76 GLY H A 74 PHE HDx 1.0 1.8 6.10 1474 1277 A 76 GLY HAx A 74 PHE HDy 1.0 1.8 6.25 1475 1277 A 76 GLY HAy A 74 PHE HDy 1.0 1.8 6.25 1476 1277 A 76 GLY HAx A 74 PHE HDx 1.0 1.8 6.25 1477 1277 A 76 GLY HAy A 74 PHE HDx 1.0 1.8 6.25 1478 1278 A 74 PHE HDy A 99 VAL HGx% 1.0 1.8 5.54 1479 1278 A 74 PHE HDx A 99 VAL HGx% 1.0 1.8 5.54 1480 1279 A 74 PHE HEx A 100 THR HG2% 1.0 1.8 7.91 1481 1279 A 74 PHE HEy A 100 THR HG2% 1.0 1.8 7.91 1482 1280 A 74 PHE HEy A 101 ASN HA 1.0 1.8 4.56 1483 1280 A 74 PHE HEx A 101 ASN HA 1.0 1.8 4.56 1484 1281 A 74 PHE HEy A 101 ASN HBy 1.0 1.8 5.81 1485 1281 A 74 PHE HEx A 101 ASN HBy 1.0 1.8 5.81 1486 1282 A 74 PHE HEy A 101 ASN HBx 1.0 1.8 5.25 1487 1282 A 74 PHE HEx A 101 ASN HBx 1.0 1.8 5.25 1488 1283 A 99 VAL HGx% A 74 PHE HEx 1.0 1.8 5.47 1489 1283 A 99 VAL HGx% A 74 PHE HEy 1.0 1.8 5.47 1490 1284 A 76 GLY H A 75 ASP HA 1.0 1.8 3.85 1491 1285 A 76 GLY H A 75 ASP HBx 1.0 1.8 4.54 1492 1286 A 76 GLY HAx A 100 THR HG2% 1.0 1.8 7.58 1493 1286 A 76 GLY HAy A 100 THR HG2% 1.0 1.8 7.58 1494 1287 A 76 GLY HAx A 101 ASN HBx 1.0 1.8 6.36 1495 1287 A 76 GLY HAy A 101 ASN HBx 1.0 1.8 6.36 1496 1288 A 76 GLY HAx A 101 ASN HD2y 1.0 1.8 6.39 1497 1288 A 76 GLY HAy A 101 ASN HD2y 1.0 1.8 6.39 1498 1289 A 76 GLY HAx A 102 LEU HBy 1.0 1.8 6.42 1499 1289 A 76 GLY HAx A 102 LEU HBx 1.0 1.8 6.42 1500 1289 A 76 GLY HAy A 102 LEU HBy 1.0 1.8 6.42 1501 1289 A 76 GLY HAy A 102 LEU HBx 1.0 1.8 6.42 1502 1290 A 102 LEU HDy% A 76 GLY HAy 1.0 1.8 7.91 1503 1290 A 102 LEU HDy% A 76 GLY HAx 1.0 1.8 7.91 1504 1291 A 77 THR HA A 76 GLY HAx 1.0 1.8 6.67 1505 1291 A 77 THR HA A 76 GLY HAy 1.0 1.8 6.67 1506 1292 A 76 GLY HAy A 99 VAL HGx% 1.0 1.8 6.38 1507 1292 A 76 GLY HAx A 99 VAL HGx% 1.0 1.8 6.38 1508 1293 A 77 THR H A 100 THR H 1.0 1.8 4.44 1509 1294 A 100 THR HA A 77 THR H 1.0 1.8 5.10 1510 1295 A 77 THR H A 100 THR HG2% 1.0 1.8 6.29 1511 1296 A 77 THR H A 102 LEU HBy 1.0 1.8 6.06 1512 1296 A 77 THR H A 102 LEU HBx 1.0 1.8 6.06 1513 1297 A 77 THR H A 102 LEU HDy% 1.0 1.8 7.06 1514 1298 A 77 THR H A 77 THR HB 1.0 1.8 4.06 1515 1299 A 77 THR H A 77 THR HG2% 1.0 1.8 6.23 1516 1300 A 77 THR H A 99 VAL HGx% 1.0 1.8 5.63 1517 1301 A 77 THR HA A 77 THR HG2% 1.0 1.8 4.56 1518 1302 A 77 THR HA A 78 ILE H 1.0 1.8 3.72 1519 1303 A 78 ILE HB A 77 THR HA 1.0 1.8 5.07 1520 1304 A 78 ILE HD1% A 77 THR HA 1.0 1.8 7.11 1521 1305 A 77 THR HB A 100 THR HG2% 1.0 1.8 5.34 1522 1306 A 77 THR HB A 102 LEU HG 1.0 1.8 6.00 1523 1307 A 77 THR HB A 102 LEU HDx% 1.0 1.8 7.11 1524 1308 A 102 LEU HDy% A 77 THR HB 1.0 1.8 6.02 1525 1309 A 77 THR HB A 78 ILE H 1.0 1.8 4.32 1526 1310 A 77 THR HG2% A 100 THR H 1.0 1.8 6.73 1527 1311 A 77 THR HG2% A 100 THR HG2% 1.0 1.8 6.28 1528 1312 A 77 THR HG2% A 78 ILE H 1.0 1.8 5.41 1529 1313 A 78 ILE HB A 78 ILE H 1.0 1.8 4.42 1530 1314 A 78 ILE HG1y A 78 ILE H 1.0 1.8 5.40 1531 1315 A 78 ILE HG1x A 78 ILE H 1.0 1.8 5.40 1532 1316 A 78 ILE HD1% A 78 ILE H 1.0 1.8 6.65 1533 1317 A 78 ILE HG2% A 78 ILE H 1.0 1.8 4.80 1534 1318 A 78 ILE H A 79 GLY H 1.0 1.8 5.15 1535 1319 A 78 ILE HA A 100 THR H 1.0 1.8 4.49 1536 1320 A 78 ILE HA A 100 THR HG2% 1.0 1.8 5.11 1537 1321 A 78 ILE HG1y A 78 ILE HA 1.0 1.8 3.81 1538 1322 A 78 ILE HG1x A 78 ILE HA 1.0 1.8 3.62 1539 1323 A 78 ILE HD1% A 78 ILE HA 1.0 1.8 5.53 1540 1324 A 78 ILE HA A 79 GLY H 1.0 1.8 3.95 1541 1325 A 99 VAL H A 78 ILE HA 1.0 1.8 5.69 1542 1326 A 78 ILE HA A 99 VAL HGx% 1.0 1.8 5.10 1543 1327 A 78 ILE HD1% A 78 ILE HB 1.0 1.8 4.76 1544 1328 A 78 ILE HB A 79 GLY H 1.0 1.8 5.28 1545 1329 A 78 ILE HB A 99 VAL HGx% 1.0 1.8 5.44 1546 1330 A 78 ILE HG1y A 79 GLY H 1.0 1.8 4.44 1547 1331 A 97 VAL HB A 78 ILE HG1y 1.0 1.8 6.00 1548 1332 A 78 ILE HG1y A 99 VAL HGx% 1.0 1.8 6.00 1549 1333 A 78 ILE HG1x A 79 GLY H 1.0 1.8 4.37 1550 1334 A 97 VAL HB A 78 ILE HG1x 1.0 1.8 6.00 1551 1335 A 97 VAL HGy% A 78 ILE HG1x 1.0 1.8 6.70 1552 1336 A 78 ILE HG1x A 99 VAL HA 1.0 1.8 5.20 1553 1337 A 78 ILE HD1% A 79 GLY H 1.0 1.8 6.14 1554 1338 A 78 ILE HD1% A 79 GLY HAy 1.0 1.8 7.91 1555 1338 A 78 ILE HD1% A 79 GLY HAx 1.0 1.8 7.91 1556 1339 A 78 ILE HD1% A 97 VAL HA 1.0 1.8 7.11 1557 1340 A 78 ILE HD1% A 97 VAL HB 1.0 1.8 6.38 1558 1341 A 78 ILE HD1% A 97 VAL HGx% 1.0 1.8 6.20 1559 1342 A 97 VAL HGy% A 78 ILE HD1% 1.0 1.8 6.40 1560 1343 A 78 ILE HD1% A 99 VAL HA 1.0 1.8 6.31 1561 1344 A 78 ILE HD1% A 99 VAL HB 1.0 1.8 6.26 1562 1345 A 78 ILE HD1% A 99 VAL HGx% 1.0 1.8 5.59 1563 1346 A 78 ILE HD1% A 78 ILE HG2% 1.0 1.8 6.05 1564 1347 A 79 GLY H A 80 ASP H 1.0 1.8 5.23 1565 1348 A 97 VAL HGx% A 79 GLY H 1.0 1.8 5.46 1566 1349 A 79 GLY H A 99 VAL HA 1.0 1.8 4.83 1567 1350 A 79 GLY HAx A 80 ASP H 1.0 1.8 4.11 1568 1350 A 79 GLY HAy A 80 ASP H 1.0 1.8 4.11 1569 1351 A 79 GLY HAx A 98 ARG HGy 1.0 1.8 5.20 1570 1351 A 79 GLY HAy A 98 ARG HGy 1.0 1.8 5.20 1571 1352 A 79 GLY HAx A 98 ARG HGx 1.0 1.8 5.15 1572 1352 A 79 GLY HAy A 98 ARG HGx 1.0 1.8 5.15 1573 1353 A 80 ASP HBy A 80 ASP H 1.0 1.8 4.13 1574 1354 A 80 ASP HBx A 80 ASP H 1.0 1.8 3.79 1575 1355 A 81 ALA H A 80 ASP H 1.0 1.8 5.39 1576 1356 A 81 ALA H A 80 ASP HA 1.0 1.8 3.33 1577 1357 A 81 ALA H A 80 ASP HBy 1.0 1.8 4.38 1578 1358 A 81 ALA H A 80 ASP HBx 1.0 1.8 4.67 1579 1359 A 81 ALA HB% A 80 ASP HBx 1.0 1.8 6.61 1580 1360 A 81 ALA HB% A 81 ALA H 1.0 1.8 4.84 1581 1361 A 81 ALA H A 97 VAL HGx% 1.0 1.8 7.08 1582 1362 A 81 ALA HA A 82 LEU H 1.0 1.8 4.05 1583 1363 A 81 ALA HA A 83 VAL H 1.0 1.8 5.29 1584 1364 A 81 ALA HA A 97 VAL HB 1.0 1.8 3.81 1585 1365 A 81 ALA HA A 97 VAL HGx% 1.0 1.8 4.80 1586 1366 A 97 VAL HGy% A 81 ALA HA 1.0 1.8 6.66 1587 1367 A 81 ALA HB% A 82 LEU H 1.0 1.8 5.27 1588 1368 A 81 ALA HB% A 82 LEU HA 1.0 1.8 6.88 1589 1369 A 81 ALA HB% A 83 VAL H 1.0 1.8 4.91 1590 1370 A 83 VAL HGy% A 81 ALA HB% 1.0 1.8 6.92 1591 1371 A 81 ALA HB% A 97 VAL HB 1.0 1.8 5.94 1592 1372 A 82 LEU H A 82 LEU HBy 1.0 1.8 3.94 1593 1373 A 82 LEU H A 82 LEU HBx 1.0 1.8 4.64 1594 1374 A 82 LEU H A 82 LEU HDx% 1.0 1.8 5.39 1595 1375 A 82 LEU H A 82 LEU HDy% 1.0 1.8 5.29 1596 1376 A 82 LEU H A 83 VAL H 1.0 1.8 4.04 1597 1377 A 82 LEU H A 83 VAL HA 1.0 1.8 5.85 1598 1378 A 97 VAL HA A 82 LEU H 1.0 1.8 4.75 1599 1379 A 97 VAL HB A 82 LEU H 1.0 1.8 5.23 1600 1380 A 97 VAL HGy% A 82 LEU H 1.0 1.8 7.11 1601 1381 A 82 LEU HA A 82 LEU HBy 1.0 1.8 3.36 1602 1382 A 82 LEU HA A 82 LEU HDy% 1.0 1.8 4.14 1603 1383 A 82 LEU HBy A 82 LEU HDx% 1.0 1.8 4.02 1604 1384 A 82 LEU HBy A 82 LEU HDy% 1.0 1.8 3.98 1605 1385 A 83 VAL H A 82 LEU HBy 1.0 1.8 5.41 1606 1386 A 83 VAL HGy% A 82 LEU HBy 1.0 1.8 7.11 1607 1387 A 97 VAL HA A 82 LEU HBy 1.0 1.8 4.02 1608 1388 A 83 VAL H A 82 LEU HBx 1.0 1.8 5.39 1609 1389 A 82 LEU HDx% A 95 GLU H 1.0 1.8 6.44 1610 1390 A 95 GLU HA A 82 LEU HDx% 1.0 1.8 6.73 1611 1391 A 82 LEU HDx% A 95 GLU HBy 1.0 1.8 5.28 1612 1392 A 95 GLU HGy A 82 LEU HDx% 1.0 1.8 7.11 1613 1393 A 97 VAL H A 82 LEU HDx% 1.0 1.8 6.66 1614 1394 A 97 VAL HA A 82 LEU HDx% 1.0 1.8 4.75 1615 1395 A 82 LEU HDx% A 98 ARG H 1.0 1.8 6.28 1616 1396 A 83 VAL HGx% A 83 VAL H 1.0 1.8 5.44 1617 1397 A 83 VAL HGy% A 83 VAL H 1.0 1.8 4.73 1618 1398 A 84 ASN H A 83 VAL H 1.0 1.8 5.35 1619 1399 A 83 VAL HGx% A 83 VAL HA 1.0 1.8 4.29 1620 1400 A 84 ASN H A 83 VAL HA 1.0 1.8 3.60 1621 1401 A 84 ASN HA A 83 VAL HA 1.0 1.8 5.00 1622 1402 A 87 ASP H A 83 VAL HA 1.0 1.8 5.78 1623 1403 A 83 VAL HB A 84 ASN H 1.0 1.8 4.00 1624 1404 A 83 VAL HB A 84 ASN HA 1.0 1.8 6.00 1625 1405 A 83 VAL HB A 84 ASN HD2x 1.0 1.8 5.67 1626 1406 A 87 ASP H A 83 VAL HB 1.0 1.8 5.21 1627 1407 A 87 ASP HBy A 83 VAL HB 1.0 1.8 4.08 1628 1408 A 87 ASP HBx A 83 VAL HB 1.0 1.8 4.98 1629 1409 A 89 VAL HGx% A 83 VAL HB 1.0 1.8 6.48 1630 1410 A 84 ASN H A 83 VAL HGx% 1.0 1.8 5.29 1631 1411 A 87 ASP HBy A 83 VAL HGx% 1.0 1.8 5.88 1632 1412 A 87 ASP HBx A 83 VAL HGx% 1.0 1.8 6.22 1633 1413 A 89 VAL HGx% A 83 VAL HGx% 1.0 1.8 6.38 1634 1414 A 83 VAL HGx% A 94 THR HB 1.0 1.8 7.09 1635 1415 A 83 VAL HGx% A 94 THR HG2% 1.0 1.8 6.07 1636 1416 A 96 LEU HDy% A 83 VAL HGx% 1.0 1.8 5.91 1637 1417 A 83 VAL HGy% A 84 ASN H 1.0 1.8 6.07 1638 1418 A 83 VAL HGy% A 84 ASN HA 1.0 1.8 7.11 1639 1419 A 83 VAL HGy% A 87 ASP HBy 1.0 1.8 6.10 1640 1420 A 83 VAL HGy% A 96 LEU HA 1.0 1.8 4.96 1641 1421 A 83 VAL HGy% A 96 LEU HBx 1.0 1.8 6.88 1642 1422 A 96 LEU HDy% A 83 VAL HGy% 1.0 1.8 5.66 1643 1423 A 84 ASN H A 84 ASN HBy 1.0 1.8 4.24 1644 1424 A 84 ASN H A 84 ASN HBx 1.0 1.8 4.15 1645 1425 A 84 ASN H A 84 ASN HD2x 1.0 1.8 5.51 1646 1426 A 84 ASN H A 85 ILE H 1.0 1.8 5.55 1647 1427 A 87 ASP H A 84 ASN H 1.0 1.8 5.16 1648 1428 A 87 ASP HBy A 84 ASN H 1.0 1.8 4.68 1649 1429 A 87 ASP HBx A 84 ASN H 1.0 1.8 4.90 1650 1430 A 84 ASN HA A 84 ASN HD2y 1.0 1.8 6.00 1651 1431 A 84 ASN HA A 84 ASN HD2x 1.0 1.8 5.74 1652 1432 A 84 ASN HA A 85 ILE H 1.0 1.8 3.63 1653 1433 A 85 ILE HA A 84 ASN HA 1.0 1.8 5.73 1654 1434 A 86 GLY H A 84 ASN HA 1.0 1.8 6.00 1655 1435 A 84 ASN HBy A 85 ILE H 1.0 1.8 4.16 1656 1436 A 84 ASN HBy A 85 ILE HB 1.0 1.8 5.12 1657 1437 A 87 ASP H A 84 ASN HBy 1.0 1.8 4.42 1658 1438 A 84 ASN HBx A 84 ASN HD2y 1.0 1.8 4.48 1659 1439 A 84 ASN HBx A 85 ILE H 1.0 1.8 4.54 1660 1440 A 85 ILE H A 85 ILE HB 1.0 1.8 3.80 1661 1441 A 85 ILE H A 85 ILE HG1y 1.0 1.8 4.11 1662 1442 A 85 ILE H A 85 ILE HG1x 1.0 1.8 4.08 1663 1443 A 85 ILE HD1% A 85 ILE H 1.0 1.8 4.76 1664 1444 A 85 ILE H A 85 ILE HG2% 1.0 1.8 5.00 1665 1445 A 86 GLY H A 85 ILE H 1.0 1.8 5.18 1666 1446 A 85 ILE HA A 85 ILE HG1y 1.0 1.8 4.29 1667 1447 A 85 ILE HA A 85 ILE HD1% 1.0 1.8 4.73 1668 1448 A 85 ILE HA A 85 ILE HG2% 1.0 1.8 4.07 1669 1449 A 86 GLY H A 85 ILE HA 1.0 1.8 3.72 1670 1450 A 86 GLY H A 85 ILE HB 1.0 1.8 5.12 1671 1451 A 87 ASP H A 85 ILE HB 1.0 1.8 6.00 1672 1452 A 86 GLY H A 85 ILE HG1x 1.0 1.8 5.66 1673 1453 A 86 GLY H A 85 ILE HD1% 1.0 1.8 6.20 1674 1454 A 86 GLY H A 87 ASP H 1.0 1.8 4.21 1675 1455 A 86 GLY H A 87 ASP HBx 1.0 1.8 6.00 1676 1456 A 87 ASP H A 87 ASP HBy 1.0 1.8 3.87 1677 1457 A 87 ASP H A 87 ASP HBx 1.0 1.8 4.13 1678 1458 A 87 ASP H A 88 TYR H 1.0 1.8 5.24 1679 1459 A 87 ASP H A 89 VAL HGx% 1.0 1.8 6.66 1680 1460 A 88 TYR H A 87 ASP HA 1.0 1.8 3.62 1681 1461 A 89 VAL HGx% A 87 ASP HBy 1.0 1.8 7.08 1682 1462 A 87 ASP HBx A 88 TYR H 1.0 1.8 4.30 1683 1463 A 89 VAL HGx% A 87 ASP HBx 1.0 1.8 6.56 1684 1464 A 88 TYR HBy A 88 TYR H 1.0 1.8 4.01 1685 1464 A 88 TYR HBx A 88 TYR H 1.0 1.8 4.01 1686 1465 A 88 TYR HDy A 88 TYR H 1.0 1.8 5.53 1687 1465 A 88 TYR HDx A 88 TYR H 1.0 1.8 5.53 1688 1466 A 89 VAL HGx% A 88 TYR H 1.0 1.8 7.11 1689 1467 A 88 TYR HDy A 88 TYR HA 1.0 1.8 4.32 1690 1467 A 88 TYR HDx A 88 TYR HA 1.0 1.8 4.32 1691 1468 A 88 TYR HEy A 88 TYR HA 1.0 1.8 5.28 1692 1468 A 88 TYR HEx A 88 TYR HA 1.0 1.8 5.28 1693 1469 A 89 VAL H A 88 TYR HA 1.0 1.8 3.75 1694 1470 A 88 TYR HA A 89 VAL HGx% 1.0 1.8 5.59 1695 1471 A 89 VAL H A 88 TYR HBy 1.0 1.8 5.35 1696 1471 A 89 VAL H A 88 TYR HBx 1.0 1.8 5.35 1697 1472 A 89 VAL H A 88 TYR HDy 1.0 1.8 5.73 1698 1472 A 89 VAL H A 88 TYR HDx 1.0 1.8 5.73 1699 1473 A 88 TYR HEy A 90 SER HBy 1.0 1.8 5.21 1700 1473 A 88 TYR HEx A 90 SER HBy 1.0 1.8 5.21 1701 1474 A 88 TYR HEy A 90 SER HBx 1.0 1.8 5.66 1702 1474 A 88 TYR HEx A 90 SER HBx 1.0 1.8 5.66 1703 1475 A 89 VAL H A 89 VAL HGx% 1.0 1.8 5.54 1704 1476 A 89 VAL HGy% A 89 VAL H 1.0 1.8 5.08 1705 1477 A 89 VAL HGx% A 89 VAL HA 1.0 1.8 4.36 1706 1478 A 90 SER H A 89 VAL HA 1.0 1.8 4.04 1707 1479 A 89 VAL HA A 94 THR HB 1.0 1.8 4.72 1708 1480 A 89 VAL HA A 94 THR HG2% 1.0 1.8 4.64 1709 1481 A 90 SER H A 89 VAL HB 1.0 1.8 4.69 1710 1482 A 90 SER HBy A 89 VAL HB 1.0 1.8 6.00 1711 1483 A 90 SER HBx A 89 VAL HB 1.0 1.8 6.00 1712 1484 A 89 VAL HB A 94 THR HA 1.0 1.8 5.86 1713 1485 A 94 THR HB A 89 VAL HB 1.0 1.8 3.71 1714 1486 A 94 THR HG2% A 89 VAL HB 1.0 1.8 5.18 1715 1487 A 96 LEU HDy% A 89 VAL HB 1.0 1.8 5.83 1716 1488 A 90 SER H A 89 VAL HGx% 1.0 1.8 6.20 1717 1489 A 89 VAL HGx% A 90 SER HBx 1.0 1.8 7.11 1718 1490 A 89 VAL HGx% A 94 THR HA 1.0 1.8 7.11 1719 1491 A 89 VAL HGx% A 94 THR HB 1.0 1.8 5.70 1720 1492 A 89 VAL HGx% A 94 THR HG2% 1.0 1.8 5.94 1721 1493 A 89 VAL HGx% A 95 GLU H 1.0 1.8 6.26 1722 1494 A 96 LEU HDy% A 89 VAL HGx% 1.0 1.8 5.79 1723 1495 A 89 VAL HGy% A 90 SER H 1.0 1.8 6.54 1724 1496 A 89 VAL HGy% A 90 SER HBy 1.0 1.8 7.11 1725 1497 A 89 VAL HGy% A 90 SER HBx 1.0 1.8 7.11 1726 1498 A 89 VAL HGy% A 94 THR HB 1.0 1.8 5.70 1727 1499 A 90 SER H A 90 SER HBy 1.0 1.8 4.29 1728 1500 A 90 SER H A 90 SER HBx 1.0 1.8 4.31 1729 1501 A 93 THR H A 90 SER H 1.0 1.8 5.69 1730 1502 A 90 SER H A 93 THR HB 1.0 1.8 5.41 1731 1503 A 90 SER H A 94 THR H 1.0 1.8 4.91 1732 1504 A 90 SER H A 94 THR HB 1.0 1.8 4.33 1733 1505 A 90 SER H A 94 THR HG2% 1.0 1.8 5.59 1734 1506 A 90 SER HBy A 91 ALA H 1.0 1.8 4.97 1735 1507 A 90 SER HBx A 93 THR HB 1.0 1.8 4.16 1736 1508 A 90 SER HBx A 93 THR HG2% 1.0 1.8 5.56 1737 1509 A 91 ALA HB% A 91 ALA H 1.0 1.8 4.88 1738 1510 A 93 THR H A 91 ALA H 1.0 1.8 5.36 1739 1511 A 91 ALA HA A 92 SER H 1.0 1.8 3.86 1740 1512 A 91 ALA HA A 92 SER HA 1.0 1.8 4.46 1741 1513 A 91 ALA HA A 93 THR H 1.0 1.8 4.62 1742 1514 A 92 SER H A 91 ALA HB% 1.0 1.8 5.24 1743 1515 A 92 SER HA A 91 ALA HB% 1.0 1.8 6.88 1744 1516 A 92 SER HBx A 91 ALA HB% 1.0 1.8 6.49 1745 1517 A 93 THR H A 91 ALA HB% 1.0 1.8 5.84 1746 1518 A 92 SER H A 92 SER HBx 1.0 1.8 4.56 1747 1519 A 92 SER H A 93 THR H 1.0 1.8 4.85 1748 1520 A 92 SER H A 93 THR HB 1.0 1.8 6.00 1749 1521 A 93 THR H A 92 SER HBy 1.0 1.8 5.42 1750 1522 A 93 THR H A 93 THR HB 1.0 1.8 3.67 1751 1523 A 93 THR H A 93 THR HG2% 1.0 1.8 5.70 1752 1524 A 93 THR H A 94 THR H 1.0 1.8 4.14 1753 1525 A 93 THR HG2% A 93 THR HA 1.0 1.8 4.64 1754 1526 A 93 THR HB A 94 THR H 1.0 1.8 3.89 1755 1527 A 94 THR H A 93 THR HG2% 1.0 1.8 5.59 1756 1528 A 94 THR HB A 94 THR H 1.0 1.8 4.00 1757 1529 A 94 THR HG2% A 94 THR H 1.0 1.8 5.22 1758 1530 A 95 GLU H A 94 THR H 1.0 1.8 5.09 1759 1531 A 94 THR H A 95 GLU HBx 1.0 1.8 6.00 1760 1532 A 96 LEU HDy% A 94 THR H 1.0 1.8 7.06 1761 1533 A 94 THR HG2% A 94 THR HA 1.0 1.8 4.11 1762 1534 A 95 GLU H A 94 THR HA 1.0 1.8 4.07 1763 1535 A 95 GLU HBy A 94 THR HA 1.0 1.8 5.30 1764 1536 A 95 GLU HGy A 94 THR HA 1.0 1.8 4.88 1765 1537 A 95 GLU H A 94 THR HB 1.0 1.8 5.51 1766 1538 A 95 GLU HGy A 94 THR HB 1.0 1.8 6.00 1767 1539 A 96 LEU HDy% A 94 THR HB 1.0 1.8 5.39 1768 1540 A 95 GLU H A 94 THR HG2% 1.0 1.8 5.11 1769 1541 A 95 GLU HGy A 94 THR HG2% 1.0 1.8 6.97 1770 1542 A 96 LEU HDy% A 94 THR HG2% 1.0 1.8 6.10 1771 1543 A 95 GLU H A 95 GLU HBy 1.0 1.8 4.54 1772 1544 A 95 GLU H A 95 GLU HBx 1.0 1.8 4.61 1773 1545 A 95 GLU HGy A 95 GLU H 1.0 1.8 4.45 1774 1546 A 95 GLU HGx A 95 GLU H 1.0 1.8 4.73 1775 1547 A 95 GLU HA A 95 GLU HGy 1.0 1.8 4.27 1776 1548 A 95 GLU HA A 95 GLU HGx 1.0 1.8 4.18 1777 1549 A 95 GLU HA A 96 LEU H 1.0 1.8 4.01 1778 1550 A 95 GLU HA A 96 LEU HDy% 1.0 1.8 6.53 1779 1551 A 95 GLU HA A 97 VAL H 1.0 1.8 5.05 1780 1552 A 96 LEU H A 95 GLU HBx 1.0 1.8 5.87 1781 1553 A 95 GLU HGy A 96 LEU H 1.0 1.8 5.98 1782 1554 A 95 GLU HGx A 96 LEU H 1.0 1.8 5.75 1783 1555 A 96 LEU H A 96 LEU HBy 1.0 1.8 4.55 1784 1556 A 96 LEU H A 96 LEU HG 1.0 1.8 4.56 1785 1557 A 96 LEU H A 96 LEU HDx% 1.0 1.8 5.63 1786 1558 A 96 LEU H A 96 LEU HDy% 1.0 1.8 5.66 1787 1559 A 96 LEU H A 97 VAL H 1.0 1.8 4.23 1788 1560 A 96 LEU HDy% A 96 LEU HA 1.0 1.8 4.46 1789 1561 A 97 VAL HB A 96 LEU HA 1.0 1.8 6.00 1790 1562 A 96 LEU HDx% A 96 LEU HBy 1.0 1.8 4.94 1791 1563 A 97 VAL H A 96 LEU HBy 1.0 1.8 4.19 1792 1564 A 97 VAL HB A 96 LEU HBy 1.0 1.8 5.42 1793 1565 A 97 VAL HGy% A 96 LEU HBy 1.0 1.8 6.67 1794 1566 A 96 LEU HDx% A 96 LEU HBx 1.0 1.8 4.82 1795 1567 A 96 LEU HDy% A 96 LEU HBx 1.0 1.8 4.64 1796 1568 A 97 VAL H A 96 LEU HBx 1.0 1.8 4.58 1797 1569 A 97 VAL HGx% A 96 LEU HBx 1.0 1.8 4.48 1798 1570 A 97 VAL H A 96 LEU HDx% 1.0 1.8 5.68 1799 1571 A 97 VAL H A 96 LEU HDy% 1.0 1.8 6.50 1800 1572 A 97 VAL H A 97 VAL HGy% 1.0 1.8 5.42 1801 1573 A 98 ARG HA A 97 VAL H 1.0 1.8 5.83 1802 1574 A 97 VAL HA A 97 VAL HGx% 1.0 1.8 4.49 1803 1575 A 97 VAL HA A 98 ARG H 1.0 1.8 3.88 1804 1576 A 98 ARG HA A 97 VAL HA 1.0 1.8 5.89 1805 1577 A 97 VAL HB A 98 ARG H 1.0 1.8 5.19 1806 1578 A 97 VAL HGx% A 98 ARG H 1.0 1.8 5.44 1807 1579 A 98 ARG HA A 97 VAL HGx% 1.0 1.8 6.88 1808 1580 A 97 VAL HGx% A 98 ARG HGx 1.0 1.8 6.60 1809 1581 A 98 ARG HA A 97 VAL HGy% 1.0 1.8 4.93 1810 1582 A 98 ARG HBy A 98 ARG H 1.0 1.8 4.47 1811 1583 A 98 ARG HBx A 98 ARG H 1.0 1.8 4.27 1812 1584 A 98 ARG HDy A 98 ARG H 1.0 1.8 5.45 1813 1585 A 98 ARG HDx A 98 ARG H 1.0 1.8 5.59 1814 1586 A 98 ARG HGy A 98 ARG H 1.0 1.8 5.73 1815 1587 A 98 ARG HA A 98 ARG HDy 1.0 1.8 5.56 1816 1588 A 98 ARG HA A 98 ARG HDx 1.0 1.8 5.44 1817 1589 A 98 ARG HA A 98 ARG HGy 1.0 1.8 4.50 1818 1590 A 98 ARG HA A 98 ARG HGx 1.0 1.8 4.29 1819 1591 A 98 ARG HA A 99 VAL H 1.0 1.8 3.55 1820 1592 A 98 ARG HBy A 98 ARG HDy 1.0 1.8 4.39 1821 1593 A 98 ARG HBx A 98 ARG HDy 1.0 1.8 3.89 1822 1594 A 98 ARG HDx A 98 ARG HBx 1.0 1.8 4.56 1823 1595 A 100 THR HB A 98 ARG HGy 1.0 1.8 6.00 1824 1596 A 99 VAL H A 98 ARG HGy 1.0 1.8 6.00 1825 1597 A 99 VAL H A 99 VAL HB 1.0 1.8 4.14 1826 1598 A 99 VAL H A 99 VAL HGx% 1.0 1.8 5.41 1827 1599 A 100 THR H A 99 VAL HA 1.0 1.8 3.66 1828 1600 A 99 VAL HGx% A 99 VAL HA 1.0 1.8 4.32 1829 1601 A 99 VAL HGx% A 100 THR H 1.0 1.8 4.66 1830 1602 A 100 THR HB A 99 VAL HGx% 1.0 1.8 6.66 1831 1603 A 99 VAL HGx% A 100 THR HG2% 1.0 1.8 8.14 1832 1604 A 99 VAL HGx% A 101 ASN HA 1.0 1.8 7.11 1833 1605 A 100 THR HB A 100 THR H 1.0 1.8 4.03 1834 1606 A 100 THR HG2% A 100 THR H 1.0 1.8 5.26 1835 1607 A 100 THR HA A 100 THR HG2% 1.0 1.8 4.50 1836 1608 A 100 THR HA A 101 ASN HBx 1.0 1.8 5.93 1837 1609 A 101 ASN HA A 100 THR HG2% 1.0 1.8 7.11 1838 1610 A 101 ASN HBx A 100 THR HG2% 1.0 1.8 7.11 1839 1611 A 101 ASN HA A 102 LEU HBy 1.0 1.8 6.00 1840 1611 A 101 ASN HA A 102 LEU HBx 1.0 1.8 6.00 1841 1612 A 101 ASN HA A 102 LEU HDx% 1.0 1.8 6.59 1842 1613 A 101 ASN HD2y A 104 PRO HA 1.0 1.8 6.00 1843 1614 A 104 PRO HA A 101 ASN HD2x 1.0 1.8 6.00 1844 1615 A 102 LEU HG A 102 LEU H 1.0 1.8 5.73 1845 1616 A 102 LEU HBy A 102 LEU H 1.0 1.8 4.61 1846 1616 A 102 LEU HBx A 102 LEU H 1.0 1.8 4.61 1847 1617 A 102 LEU HDx% A 102 LEU H 1.0 1.8 6.55 1848 1618 A 102 LEU HBy A 102 LEU HA 1.0 1.8 3.87 1849 1618 A 102 LEU HBx A 102 LEU HA 1.0 1.8 3.87 1850 1619 A 102 LEU HDy% A 102 LEU HA 1.0 1.8 4.21 1851 1620 A 102 LEU HBy A 102 LEU HDx% 1.0 1.8 5.04 1852 1620 A 102 LEU HBx A 102 LEU HDx% 1.0 1.8 5.04 1853 1621 A 102 LEU HBy A 103 ASN H 1.0 1.8 6.52 1854 1621 A 102 LEU HBx A 103 ASN H 1.0 1.8 6.52 1855 1622 A 102 LEU HBy A 103 ASN HBy 1.0 1.8 6.67 1856 1622 A 102 LEU HBx A 103 ASN HBy 1.0 1.8 6.67 1857 1623 A 102 LEU HBy A 103 ASN HBx 1.0 1.8 6.36 1858 1623 A 102 LEU HBx A 103 ASN HBx 1.0 1.8 6.36 1859 1624 A 102 LEU HBy A 106 TYR HDy 1.0 1.8 6.99 1860 1624 A 102 LEU HBy A 106 TYR HDx 1.0 1.8 6.99 1861 1624 A 102 LEU HBx A 106 TYR HDy 1.0 1.8 6.99 1862 1624 A 102 LEU HBx A 106 TYR HDx 1.0 1.8 6.99 1863 1625 A 102 LEU HDx% A 106 TYR HDy 1.0 1.8 7.91 1864 1625 A 102 LEU HDx% A 106 TYR HDx 1.0 1.8 7.91 1865 1626 A 102 LEU HDy% A 106 TYR HDx 1.0 1.8 7.91 1866 1626 A 102 LEU HDy% A 106 TYR HDy 1.0 1.8 7.91 1867 1627 A 102 LEU HDy% A 106 TYR HEx 1.0 1.8 7.91 1868 1627 A 102 LEU HDy% A 106 TYR HEy 1.0 1.8 7.91 1869 1628 A 103 ASN HA A 104 PRO HBx 1.0 1.8 5.37 1870 1629 A 103 ASN HA A 104 PRO HDy 1.0 1.8 3.76 1871 1630 A 103 ASN HA A 104 PRO HDx 1.0 1.8 3.72 1872 1631 A 103 ASN HA A 104 PRO HGy 1.0 1.8 5.41 1873 1631 A 103 ASN HA A 104 PRO HGx 1.0 1.8 5.41 1874 1632 A 103 ASN HA A 105 ILE HG1y 1.0 1.8 6.00 1875 1633 A 103 ASN HBy A 104 PRO HDy 1.0 1.8 5.02 1876 1634 A 103 ASN HBy A 104 PRO HDx 1.0 1.8 4.66 1877 1635 A 103 ASN HBy A 104 PRO HGy 1.0 1.8 6.67 1878 1635 A 103 ASN HBy A 104 PRO HGx 1.0 1.8 6.67 1879 1636 A 103 ASN HBy A 105 ILE HB 1.0 1.8 6.00 1880 1637 A 103 ASN HBy A 105 ILE HG1x 1.0 1.8 5.49 1881 1638 A 103 ASN HBy A 105 ILE HD1% 1.0 1.8 7.11 1882 1639 A 103 ASN HBy A 106 TYR HEy 1.0 1.8 5.80 1883 1639 A 103 ASN HBy A 106 TYR HEx 1.0 1.8 5.80 1884 1640 A 104 PRO HA A 103 ASN HBx 1.0 1.8 6.00 1885 1641 A 103 ASN HBx A 104 PRO HDy 1.0 1.8 5.70 1886 1642 A 103 ASN HBx A 104 PRO HDx 1.0 1.8 4.83 1887 1643 A 103 ASN HBx A 104 PRO HGy 1.0 1.8 6.67 1888 1643 A 103 ASN HBx A 104 PRO HGx 1.0 1.8 6.67 1889 1644 A 104 PRO HA A 105 ILE H 1.0 1.8 3.62 1890 1645 A 104 PRO HA A 105 ILE HG1y 1.0 1.8 6.00 1891 1646 A 104 PRO HA A 105 ILE HG1x 1.0 1.8 6.00 1892 1647 A 104 PRO HA A 105 ILE HG2% 1.0 1.8 7.11 1893 1648 A 105 ILE H A 104 PRO HBy 1.0 1.8 4.87 1894 1649 A 104 PRO HBx A 105 ILE HG2% 1.0 1.8 7.11 1895 1650 A 104 PRO HDx A 105 ILE H 1.0 1.8 5.77 1896 1651 A 104 PRO HGy A 105 ILE H 1.0 1.8 6.07 1897 1651 A 104 PRO HGx A 105 ILE H 1.0 1.8 6.07 1898 1652 A 104 PRO HGx A 105 ILE HG2% 1.0 1.8 7.91 1899 1652 A 104 PRO HGy A 105 ILE HG2% 1.0 1.8 7.91 1900 1653 A 105 ILE HG1y A 105 ILE H 1.0 1.8 4.92 1901 1654 A 105 ILE HG1x A 105 ILE H 1.0 1.8 4.86 1902 1655 A 105 ILE HD1% A 105 ILE H 1.0 1.8 7.06 1903 1656 A 105 ILE H A 105 ILE HG2% 1.0 1.8 5.81 1904 1657 A 105 ILE HG1x A 105 ILE HA 1.0 1.8 4.62 1905 1658 A 105 ILE HD1% A 105 ILE HA 1.0 1.8 5.92 1906 1659 A 105 ILE HG2% A 105 ILE HA 1.0 1.8 4.84 1907 1660 A 105 ILE HA A 106 TYR H 1.0 1.8 3.91 1908 1661 A 105 ILE HA A 106 TYR HBy 1.0 1.8 5.99 1909 1662 A 106 TYR HDy A 105 ILE HA 1.0 1.8 6.67 1910 1662 A 106 TYR HDx A 105 ILE HA 1.0 1.8 6.67 1911 1663 A 105 ILE HB A 105 ILE HD1% 1.0 1.8 5.60 1912 1664 A 105 ILE HB A 106 TYR HA 1.0 1.8 6.00 1913 1665 A 106 TYR HDy A 105 ILE HB 1.0 1.8 5.98 1914 1665 A 106 TYR HDx A 105 ILE HB 1.0 1.8 5.98 1915 1666 A 106 TYR HDy A 105 ILE HG1x 1.0 1.8 4.98 1916 1666 A 106 TYR HDx A 105 ILE HG1x 1.0 1.8 4.98 1917 1667 A 106 TYR HEy A 105 ILE HG1x 1.0 1.8 5.74 1918 1667 A 106 TYR HEx A 105 ILE HG1x 1.0 1.8 5.74 1919 1668 A 106 TYR HDx A 105 ILE HD1% 1.0 1.8 7.91 1920 1668 A 106 TYR HDy A 105 ILE HD1% 1.0 1.8 7.91 1921 1669 A 106 TYR HEx A 105 ILE HD1% 1.0 1.8 7.91 1922 1669 A 106 TYR HEy A 105 ILE HD1% 1.0 1.8 7.91 1923 1670 A 105 ILE HG2% A 106 TYR H 1.0 1.8 6.70 1924 1671 A 106 TYR HDy A 105 ILE HG2% 1.0 1.8 7.91 1925 1671 A 106 TYR HDx A 105 ILE HG2% 1.0 1.8 7.91 1926 1672 A 106 TYR H A 106 TYR HBy 1.0 1.8 4.48 1927 1673 A 106 TYR H A 106 TYR HBx 1.0 1.8 4.38 1928 1674 A 106 TYR HDy A 106 TYR H 1.0 1.8 6.02 1929 1674 A 106 TYR HDx A 106 TYR H 1.0 1.8 6.02 1930 1675 A 106 TYR HDy A 106 TYR HA 1.0 1.8 4.42 1931 1675 A 106 TYR HDx A 106 TYR HA 1.0 1.8 4.42 1932 1676 A 106 TYR HA A 107 ALA HB% 1.0 1.8 7.11 1933 1677 A 106 TYR HBx A 107 ALA HB% 1.0 1.8 7.11 1934 1678 A 107 ALA HA A 108 ASP HA 1.0 1.8 4.90 1935 1679 A 107 ALA HA A 108 ASP HBy 1.0 1.8 5.28 1936 1680 A 107 ALA HB% A 108 ASP H 1.0 1.8 7.00 1937 1681 A 2 VAL H A 99 VAL O 1.0 1.7 2.80 1938 1682 A 99 VAL H A 2 VAL O 1.0 1.7 2.80 1939 1683 A 4 ILE H A 97 VAL O 1.0 1.7 2.80 1940 1684 A 10 GLY H A 89 VAL O 1.0 1.7 2.80 1941 1685 A 89 VAL H A 10 GLY O 1.0 1.7 2.80 1942 1686 A 12 ILE H A 87 ASP O 1.0 1.7 2.80 1943 1687 A 11 VAL H A 33 GLU O 1.0 1.7 2.80 1944 1688 A 33 GLU H A 11 VAL O 1.0 1.7 2.80 1945 1689 A 13 VAL H A 31 ILE O 1.0 1.7 2.80 1946 1690 A 31 ILE H A 14 ASN O 1.0 1.7 2.80 1947 1691 A 16 LEU H A 29 LEU O 1.0 1.7 2.80 1948 1692 A 78 ILE H A 21 ASP O 1.0 1.7 2.80 1949 1693 A 23 VAL H A 76 GLY O 1.0 1.7 2.80 1950 1694 A 76 GLY H A 23 VAL O 1.0 1.7 2.80 1951 1695 A 72 ALA H A 27 GLN O 1.0 1.7 2.80 1952 1696 A 30 PHE H A 70 ILE O 1.0 1.7 2.80 1953 1697 A 70 ILE H A 30 PHE O 1.0 1.7 2.80 1954 1698 A 32 ILE H A 68 THR O 1.0 1.7 2.80 1955 1699 A 68 THR H A 32 ILE O 1.0 1.7 2.80 1956 1700 A 100 THR H A 77 THR O 1.0 1.7 2.80 1957 1701 A 77 THR H A 100 THR O 1.0 1.7 2.80 1958 1702 A 79 GLY H A 98 ARG O 1.0 1.7 2.80 1959 1703 A 99 VAL O A 2 VAL N 1.0 2.6 3.70 1960 1704 A 2 VAL O A 99 VAL N 1.0 2.6 3.70 1961 1705 A 97 VAL O A 4 ILE N 1.0 2.6 3.70 1962 1706 A 89 VAL O A 10 GLY N 1.0 2.6 3.70 1963 1707 A 10 GLY O A 89 VAL N 1.0 2.6 3.70 1964 1708 A 87 ASP O A 12 ILE N 1.0 2.6 3.70 1965 1709 A 33 GLU O A 11 VAL N 1.0 2.6 3.70 1966 1710 A 11 VAL O A 33 GLU N 1.0 2.6 3.70 1967 1711 A 31 ILE O A 13 VAL N 1.0 2.6 3.70 1968 1712 A 14 ASN O A 31 ILE N 1.0 2.6 3.70 1969 1713 A 29 LEU O A 16 LEU N 1.0 2.6 3.70 1970 1714 A 21 ASP O A 78 ILE N 1.0 2.6 3.70 1971 1715 A 76 GLY O A 23 VAL N 1.0 2.6 3.70 1972 1716 A 23 VAL O A 76 GLY N 1.0 2.6 3.70 1973 1717 A 27 GLN O A 72 ALA N 1.0 2.6 3.70 1974 1718 A 70 ILE O A 30 PHE N 1.0 2.6 3.70 1975 1719 A 30 PHE O A 70 ILE N 1.0 2.6 3.70 1976 1720 A 68 THR O A 32 ILE N 1.0 2.6 3.70 1977 1721 A 32 ILE O A 68 THR N 1.0 2.6 3.70 1978 1722 A 77 THR O A 100 THR N 1.0 2.6 3.70 1979 1723 A 100 THR O A 77 THR N 1.0 2.6 3.70 1980 1724 A 98 ARG O A 79 GLY N 1.0 2.6 3.70 stop_ save_ save_AMBER_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode AMBER_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 ASP C A 2 VAL N A 2 VAL CA A 2 VAL C 1.0 -170.0 -86.0 PHI 2 2 A 2 VAL N A 2 VAL CA A 2 VAL C A 3 ILE N 1.0 107.0 167.0 PSI 3 3 A 2 VAL C A 3 ILE N A 3 ILE CA A 3 ILE C 1.0 -127.0 -67.0 PHI 4 4 A 3 ILE N A 3 ILE CA A 3 ILE C A 4 ILE N 1.0 89.0 149.0 PSI 5 5 A 3 ILE C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -124.7 -51.8 PHI 6 6 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 LYS N 1.0 96.0 156.0 PSI 7 7 A 4 ILE C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -143.4 -51.0 PHI 8 8 A 5 LYS N A 5 LYS CA A 5 LYS C A 6 PRO N 1.0 105.4 184.5 PSI 9 9 A 7 GLN C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -165.0 -105.0 PHI 10 10 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 SER N 1.0 127.0 187.0 PSI 11 11 A 10 GLY C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -157.0 -97.0 PHI 12 12 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 ILE N 1.0 114.0 174.0 PSI 13 13 A 11 VAL C A 12 ILE N A 12 ILE CA A 12 ILE C 1.0 -117.0 -53.0 PHI 14 14 A 12 ILE N A 12 ILE CA A 12 ILE C A 13 VAL N 1.0 92.0 152.0 PSI 15 15 A 13 VAL C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 -180.4 -120.4 PHI 16 16 A 14 ASN N A 14 ASN CA A 14 ASN C A 15 LYS N 1.0 115.2 175.2 PSI 17 17 A 14 ASN C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -163.4 -59.3 PHI 18 18 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 LEU N 1.0 94.7 164.1 PSI 19 19 A 16 LEU C A 17 PHE N A 17 PHE CA A 17 PHE C 1.0 -184.5 -70.2 PHI 20 20 A 17 PHE N A 17 PHE CA A 17 PHE C A 18 LYS N 1.0 124.7 184.7 PSI 21 21 A 17 PHE C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -167.0 -37.1 PHI 22 22 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 ALA N 1.0 126.6 186.6 PSI 23 23 A 19 ALA C A 20 GLY N A 20 GLY CA A 20 GLY C 1.0 62.0 122.0 PHI 24 24 A 20 GLY N A 20 GLY CA A 20 GLY C A 21 ASP N 1.0 -42.0 18.0 PSI 25 25 A 22 LYS C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -165.0 -105.0 PHI 26 26 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 LYS N 1.0 134.0 194.0 PSI 27 27 A 23 VAL C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -142.0 -70.0 PHI 28 28 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 LYS N 1.0 127.0 187.0 PSI 29 29 A 25 LYS C A 26 GLY N A 26 GLY CA A 26 GLY C 1.0 63.0 123.0 PHI 30 30 A 26 GLY N A 26 GLY CA A 26 GLY C A 27 GLN N 1.0 -44.0 16.0 PSI 31 31 A 26 GLY C A 27 GLN N A 27 GLN CA A 27 GLN C 1.0 -143.9 -30.0 PHI 32 32 A 27 GLN N A 27 GLN CA A 27 GLN C A 28 THR N 1.0 99.2 162.2 PSI 33 33 A 29 LEU C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -162.0 -102.0 PHI 34 34 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 ILE N 1.0 117.9 177.9 PSI 35 35 A 30 PHE C A 31 ILE N A 31 ILE CA A 31 ILE C 1.0 -148.1 -88.1 PHI 36 36 A 31 ILE N A 31 ILE CA A 31 ILE C A 32 ILE N 1.0 90.0 150.0 PSI 37 37 A 31 ILE C A 32 ILE N A 32 ILE CA A 32 ILE C 1.0 -148.8 -86.4 PHI 38 38 A 32 ILE N A 32 ILE CA A 32 ILE C A 33 GLU N 1.0 100.1 160.1 PSI 39 39 A 32 ILE C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -137.6 -53.9 PHI 40 40 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 GLN N 1.0 98.2 158.2 PSI 41 41 A 36 GLN C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -93.0 -33.0 PHI 42 42 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 SER N 1.0 -70.0 -10.0 PSI 43 43 A 37 ALA C A 38 SER N A 38 SER CA A 38 SER C 1.0 -97.3 -37.3 PHI 44 44 A 38 SER N A 38 SER CA A 38 SER C A 39 LYS N 1.0 -62.9 -2.9 PSI 45 45 A 38 SER C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -100.0 -40.0 PHI 46 46 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 ASP N 1.0 -62.0 0.0 PSI 47 47 A 40 ASP C A 41 PHE N A 41 PHE CA A 41 PHE C 1.0 -107.0 -37.0 PHI 48 48 A 41 PHE N A 41 PHE CA A 41 PHE C A 42 ASN N 1.0 -70.0 0.0 PSI 49 49 A 41 PHE C A 42 ASN N A 42 ASN CA A 42 ASN C 1.0 -93.0 -33.0 PHI 50 50 A 42 ASN N A 42 ASN CA A 42 ASN C A 43 ARG N 1.0 -67.0 -7.0 PSI 51 51 A 42 ASN C A 43 ARG N A 43 ARG CA A 43 ARG C 1.0 -94.0 -34.0 PHI 52 52 A 43 ARG N A 43 ARG CA A 43 ARG C A 44 SER N 1.0 -69.0 -5.0 PSI 53 53 A 43 ARG C A 44 SER N A 44 SER CA A 44 SER C 1.0 -97.0 -37.0 PHI 54 54 A 44 SER N A 44 SER CA A 44 SER C A 45 LYS N 1.0 -61.0 -1.0 PSI 55 55 A 44 SER C A 45 LYS N A 45 LYS CA A 45 LYS C 1.0 -99.0 -39.0 PHI 56 56 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 ALA N 1.0 -69.0 -9.0 PSI 57 57 A 49 SER C A 50 GLN N A 50 GLN CA A 50 GLN C 1.0 -99.0 -39.0 PHI 58 58 A 50 GLN N A 50 GLN CA A 50 GLN C A 51 SER N 1.0 -77.0 23.0 PSI 59 59 A 50 GLN C A 51 SER N A 51 SER CA A 51 SER C 1.0 -98.0 -38.0 PHI 60 60 A 51 SER N A 51 SER CA A 51 SER C A 52 ALA N 1.0 -64.0 -4.0 PSI 61 61 A 51 SER C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -103.0 -43.0 PHI 62 62 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 ILE N 1.0 -60.0 0.0 PSI 63 63 A 54 SER C A 55 GLN N A 55 GLN CA A 55 GLN C 1.0 -98.0 -38.0 PHI 64 64 A 55 GLN N A 55 GLN CA A 55 GLN C A 56 LYS N 1.0 -67.0 -7.0 PSI 65 65 A 56 LYS C A 57 GLU N A 57 GLU CA A 57 GLU C 1.0 -98.0 -38.0 PHI 66 66 A 57 GLU N A 57 GLU CA A 57 GLU C A 58 TYR N 1.0 -70.0 -10.0 PSI 67 67 A 57 GLU C A 58 TYR N A 58 TYR CA A 58 TYR C 1.0 -98.0 -38.0 PHI 68 68 A 58 TYR N A 58 TYR CA A 58 TYR C A 59 ASP N 1.0 -78.0 10.0 PSI 69 69 A 59 ASP C A 60 SER N A 60 SER CA A 60 SER C 1.0 -94.0 -34.0 PHI 70 70 A 60 SER N A 60 SER CA A 60 SER C A 61 SER N 1.0 -69.0 -9.0 PSI 71 71 A 60 SER C A 61 SER N A 61 SER CA A 61 SER C 1.0 -103.0 -43.0 PHI 72 72 A 61 SER N A 61 SER CA A 61 SER C A 62 LEU N 1.0 -58.0 2.0 PSI 73 73 A 61 SER C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -102.0 -42.0 PHI 74 74 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 ALA N 1.0 -72.0 20.0 PSI 75 75 A 66 ASP C A 67 HIS N A 67 HIS CA A 67 HIS C 1.0 -161.1 -66.6 PHI 76 76 A 67 HIS N A 67 HIS CA A 67 HIS C A 68 THR N 1.0 116.8 176.8 PSI 77 77 A 67 HIS C A 68 THR N A 68 THR CA A 68 THR C 1.0 -153.9 -69.2 PHI 78 78 A 68 THR N A 68 THR CA A 68 THR C A 69 GLU N 1.0 85.8 165.7 PSI 79 79 A 68 THR C A 69 GLU N A 69 GLU CA A 69 GLU C 1.0 -149.6 -47.3 PHI 80 80 A 69 GLU N A 69 GLU CA A 69 GLU C A 70 ILE N 1.0 96.0 181.8 PSI 81 81 A 69 GLU C A 70 ILE N A 70 ILE CA A 70 ILE C 1.0 -128.0 -68.0 PHI 82 82 A 70 ILE N A 70 ILE CA A 70 ILE C A 71 LYS N 1.0 90.8 150.8 PSI 83 83 A 70 ILE C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -162.6 -84.8 PHI 84 84 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 ALA N 1.0 115.5 175.5 PSI 85 85 A 76 GLY C A 77 THR N A 77 THR CA A 77 THR C 1.0 -128.4 -68.4 PHI 86 86 A 77 THR N A 77 THR CA A 77 THR C A 78 ILE N 1.0 103.0 163.0 PSI 87 87 A 77 THR C A 78 ILE N A 78 ILE CA A 78 ILE C 1.0 -156.1 -91.9 PHI 88 88 A 78 ILE N A 78 ILE CA A 78 ILE C A 79 GLY N 1.0 108.7 168.7 PSI 89 89 A 82 LEU C A 83 VAL N A 83 VAL CA A 83 VAL C 1.0 -166.5 -98.3 PHI 90 90 A 83 VAL N A 83 VAL CA A 83 VAL C A 84 ASN N 1.0 124.9 184.9 PSI 91 91 A 83 VAL C A 84 ASN N A 84 ASN CA A 84 ASN C 1.0 -141.4 -61.5 PHI 92 92 A 84 ASN N A 84 ASN CA A 84 ASN C A 85 ILE N 1.0 131.1 193.9 PSI 93 93 A 85 ILE C A 86 GLY N A 86 GLY CA A 86 GLY C 1.0 66.0 126.0 PHI 94 94 A 86 GLY N A 86 GLY CA A 86 GLY C A 87 ASP N 1.0 -47.0 13.0 PSI 95 95 A 87 ASP C A 88 TYR N A 88 TYR CA A 88 TYR C 1.0 -137.1 -46.1 PHI 96 96 A 88 TYR N A 88 TYR CA A 88 TYR C A 89 VAL N 1.0 107.7 167.7 PSI 97 97 A 88 TYR C A 89 VAL N A 89 VAL CA A 89 VAL C 1.0 -170.1 -78.0 PHI 98 98 A 89 VAL N A 89 VAL CA A 89 VAL C A 90 SER N 1.0 136.0 196.0 PSI 99 99 A 89 VAL C A 90 SER N A 90 SER CA A 90 SER C 1.0 -164.0 -60.0 PHI 100 100 A 90 SER N A 90 SER CA A 90 SER C A 91 ALA N 1.0 94.0 174.0 PSI 101 101 A 90 SER C A 91 ALA N A 91 ALA CA A 91 ALA C 1.0 -102.0 -26.0 PHI 102 102 A 91 ALA N A 91 ALA CA A 91 ALA C A 92 SER N 1.0 -71.0 9.0 PSI 103 103 A 91 ALA C A 92 SER N A 92 SER CA A 92 SER C 1.0 -95.0 -35.0 PHI 104 104 A 92 SER N A 92 SER CA A 92 SER C A 93 THR N 1.0 -57.0 3.0 PSI 105 105 A 92 SER C A 93 THR N A 93 THR CA A 93 THR C 1.0 -96.0 -36.0 PHI 106 106 A 93 THR N A 93 THR CA A 93 THR C A 94 THR N 1.0 -71.0 -11.0 PSI 107 107 A 94 THR C A 95 GLU N A 95 GLU CA A 95 GLU C 1.0 -103.0 -43.0 PHI 108 108 A 95 GLU C A 96 LEU N A 96 LEU CA A 96 LEU C 1.0 -99.0 -39.0 PHI 109 109 A 96 LEU N A 96 LEU CA A 96 LEU C A 97 VAL N 1.0 -61.0 -1.0 PSI 110 110 A 97 VAL C A 98 ARG N A 98 ARG CA A 98 ARG C 1.0 -160.0 -76.0 PHI 111 111 A 98 ARG N A 98 ARG CA A 98 ARG C A 99 VAL N 1.0 90.0 162.0 PSI 112 112 A 98 ARG C A 99 VAL N A 99 VAL CA A 99 VAL C 1.0 -159.0 -83.0 PHI 113 113 A 99 VAL N A 99 VAL CA A 99 VAL C A 100 THR N 1.0 96.0 156.0 PSI 114 114 A 99 VAL C A 100 THR N A 100 THR CA A 100 THR C 1.0 -141.0 -65.0 PHI 115 115 A 100 THR N A 100 THR CA A 100 THR C A 101 ASN N 1.0 99.0 183.0 PSI 116 116 A 102 LEU C A 103 ASN N A 103 ASN CA A 103 ASN C 1.0 -131.0 -35.0 PHI 117 117 A 103 ASN N A 103 ASN CA A 103 ASN C A 104 PRO N 1.0 73.0 185.0 PSI stop_ save_ save_AMBER_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode AMBER_dihedral_5 _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 2 VAL CA A 2 VAL N A 1 ASP C A 1 ASP CA 1.0 170.0 190.0 OMEGA stop_ save_