data_nef_c19372_2mar 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 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 ASP middle . . 3 A 3 THR middle . . 4 A 4 PRO middle . false 5 A 5 PRO middle . false 6 A 6 PRO middle . false 7 A 7 PRO middle . false 8 A 8 PRO middle . false 9 A 9 PHE middle . . 10 A 10 LEU middle . . 11 A 11 ALA middle . . 12 A 12 GLY middle . false 13 A 13 ALA middle . . 14 A 14 PRO middle . false 15 A 15 GLN middle . . 16 A 16 ASP middle . . 17 A 17 VAL middle . . 18 A 18 VAL middle . . 19 A 19 LYS middle . . 20 A 20 ALA middle . . 21 A 21 PHE middle . . 22 A 22 PHE middle . . 23 A 23 GLU middle . . 24 A 24 LEU middle . . 25 A 25 LEU middle . . 26 A 26 LYS middle . . 27 A 27 LYS middle . . 28 A 28 ASP middle . . 29 A 29 GLU middle . . 30 A 30 THR middle . . 31 A 31 LYS middle . . 32 A 32 THR middle . . 33 A 33 ASP middle . . 34 A 34 PRO middle . false 35 A 35 GLU middle . . 36 A 36 ILE middle . . 37 A 37 GLU middle . . 38 A 38 LYS middle . . 39 A 39 ASP middle . . 40 A 40 LEU middle . . 41 A 41 ASP middle . . 42 A 42 ALA middle . . 43 A 43 TRP middle . . 44 A 44 VAL middle . . 45 A 45 ASP middle . . 46 A 46 THR middle . . 47 A 47 LEU middle . . 48 A 48 GLY middle . false 49 A 49 GLY middle . false 50 A 50 ASP middle . . 51 A 51 TYR middle . . 52 A 52 LYS middle . . 53 A 53 ALA middle . . 54 A 54 LYS middle . . 55 A 55 PHE middle . . 56 A 56 GLU middle . . 57 A 57 THR middle . . 58 A 58 PHE middle . . 59 A 59 LYS middle . . 60 A 60 LYS middle . . 61 A 61 GLU middle . . 62 A 62 MET middle . . 63 A 63 LYS middle . . 64 A 64 ALA middle . . 65 A 65 LYS middle . . 66 A 66 GLU middle . . 67 A 67 ALA middle . . 68 A 68 GLU middle . . 69 A 69 LEU middle . . 70 A 70 ALA middle . . 71 A 71 LYS middle . . 72 A 72 ALA middle . . 73 A 73 HIS middle . . 74 A 74 GLU middle . . 75 A 75 GLU middle . . 76 A 76 ALA middle . . 77 A 77 VAL middle . . 78 A 78 ALA middle . . 79 A 79 LYS middle . . 80 A 80 MET middle . . 81 A 81 THR middle . . 82 A 82 PRO middle . false 83 A 83 GLU middle . . 84 A 84 ALA middle . . 85 A 85 LYS middle . . 86 A 86 LYS middle . . 87 A 87 ALA middle . . 88 A 88 ASP middle . . 89 A 89 ALA middle . . 90 A 90 GLU middle . . 91 A 91 LEU middle . . 92 A 92 SER middle . . 93 A 93 LYS middle . . 94 A 94 ILE middle . . 95 A 95 ALA middle . . 96 A 96 GLU middle . . 97 A 97 ASP middle . . 98 A 98 ASP middle . . 99 A 99 SER middle . . 100 A 100 LEU middle . . 101 A 101 ASN middle . . 102 A 102 GLY middle . false 103 A 103 ILE middle . . 104 A 104 GLN middle . . 105 A 105 LYS middle . . 106 A 106 ALA middle . . 107 A 107 GLN middle . . 108 A 108 LYS middle . . 109 A 109 ILE middle . . 110 A 110 GLN middle . . 111 A 111 ALA middle . . 112 A 112 ILE middle . . 113 A 113 TYR middle . . 114 A 114 LYS middle . . 115 A 115 THR middle . . 116 A 116 LEU middle . . 117 A 117 PRO middle . false 118 A 118 GLN middle . . 119 A 119 SER middle . . 120 A 120 VAL middle . . 121 A 121 LYS middle . . 122 A 122 ASP middle . . 123 A 123 GLU middle . . 124 A 124 LEU middle . . 125 A 125 GLU middle . . 126 A 126 LYS middle . . 127 A 127 GLY middle . false 128 A 128 ILE middle . . 129 A 129 GLY middle . false 130 A 130 PRO middle . false 131 A 131 ALA middle . . 132 A 132 VAL middle . . 133 A 133 PRO middle . false 134 A 134 GLN 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 H1 H 1 8.586 0.005 A 1 ASP HA H 1 4.556 0.000 A 1 ASP N N 15 116.260 0.044 A 2 ASP H H 1 8.195 0.004 A 2 ASP HA H 1 4.560 0.007 A 2 ASP HBx H 1 2.636 0.024 A 2 ASP HBy H 1 2.636 0.024 A 2 ASP CA C 13 53.200 0.000 A 2 ASP CB C 13 39.400 0.000 A 3 THR H H 1 7.870 0.008 A 3 THR HA H 1 4.304 0.005 A 3 THR HB H 1 3.831 0.006 A 3 THR HG2% H 1 1.049 0.005 A 3 THR CA C 13 59.975 0.017 A 3 THR CB C 13 69.280 0.159 A 3 THR CG2 C 13 21.389 0.016 A 3 THR N N 15 116.354 0.031 A 4 PRO HA H 1 4.481 0.005 A 4 PRO HBx H 1 1.504 0.000 A 4 PRO HBy H 1 2.088 0.000 A 4 PRO HDx H 1 2.662 0.005 A 4 PRO HDy H 1 3.451 0.005 A 4 PRO HG2 H 1 1.535 0.007 A 4 PRO HG3 H 1 1.361 0.000 A 4 PRO CA C 13 61.363 0.019 A 4 PRO CB C 13 29.998 0.030 A 4 PRO CD C 13 50.523 0.018 A 4 PRO CG C 13 26.957 0.025 A 8 PRO HA H 1 4.116 0.004 A 8 PRO HBx H 1 1.860 0.008 A 8 PRO HBy H 1 2.350 0.005 A 8 PRO HDx H 1 3.351 0.007 A 8 PRO HDy H 1 3.792 0.004 A 8 PRO HGx H 1 2.099 0.006 A 8 PRO HGy H 1 2.099 0.006 A 8 PRO CA C 13 65.392 0.048 A 8 PRO CB C 13 31.976 0.046 A 8 PRO CD C 13 50.262 0.042 A 8 PRO CG C 13 27.898 0.026 A 9 PHE H H 1 6.203 0.005 A 9 PHE HA H 1 4.486 0.007 A 9 PHE HBx H 1 2.711 0.014 A 9 PHE HBy H 1 3.269 0.006 A 9 PHE HD1 H 1 6.581 0.004 A 9 PHE HD2 H 1 6.581 0.004 A 9 PHE HE1 H 1 7.101 0.000 A 9 PHE HE2 H 1 7.101 0.000 A 9 PHE CA C 13 57.754 0.035 A 9 PHE CB C 13 37.396 0.030 A 9 PHE CDx C 13 132.536 0.000 A 9 PHE CDy C 13 132.536 0.000 A 9 PHE N N 15 109.414 0.052 A 10 LEU H H 1 6.980 0.007 A 10 LEU HA H 1 4.295 0.007 A 10 LEU HBx H 1 0.692 0.007 A 10 LEU HBy H 1 1.341 0.006 A 10 LEU HDx% H 1 0.071 0.005 A 10 LEU HDy% H 1 0.361 0.003 A 10 LEU CA C 13 52.749 0.034 A 10 LEU CB C 13 42.361 0.002 A 10 LEU CDy C 13 25.697 0.057 A 10 LEU CDx C 13 22.605 0.065 A 10 LEU N N 15 117.913 0.028 A 11 ALA H H 1 6.998 0.002 A 11 ALA HA H 1 3.865 0.008 A 11 ALA HB% H 1 1.293 0.005 A 11 ALA CA C 13 54.417 0.018 A 11 ALA CB C 13 17.938 0.000 A 11 ALA N N 15 123.765 0.041 A 12 GLY H H 1 8.746 0.005 A 12 GLY HAx H 1 3.672 0.010 A 12 GLY HAy H 1 4.036 0.005 A 12 GLY CA C 13 45.234 0.046 A 12 GLY N N 15 112.408 0.037 A 13 ALA H H 1 7.904 0.005 A 13 ALA HA H 1 4.579 0.011 A 13 ALA HB% H 1 1.202 0.012 A 13 ALA CA C 13 50.797 0.003 A 13 ALA CB C 13 18.003 0.041 A 13 ALA N N 15 123.861 0.032 A 14 PRO HA H 1 4.487 0.004 A 14 PRO HBx H 1 2.035 0.007 A 14 PRO HBy H 1 2.435 0.005 A 14 PRO HD2 H 1 3.388 0.004 A 14 PRO HD3 H 1 3.882 0.009 A 14 PRO HGx H 1 1.984 0.000 A 14 PRO HGy H 1 2.090 0.004 A 14 PRO CA C 13 62.432 0.052 A 14 PRO CB C 13 32.436 0.080 A 14 PRO CD C 13 50.518 0.018 A 14 PRO CG C 13 27.573 0.061 A 15 GLN H H 1 8.878 0.010 A 15 GLN HA H 1 3.934 0.010 A 15 GLN HBx H 1 2.019 0.009 A 15 GLN HBy H 1 2.095 0.002 A 15 GLN HE2x H 1 6.845 0.003 A 15 GLN HE2y H 1 7.539 0.010 A 15 GLN HG2 H 1 2.425 0.005 A 15 GLN HG3 H 1 2.425 0.005 A 15 GLN CA C 13 59.199 0.001 A 15 GLN CB C 13 28.505 0.000 A 15 GLN CG C 13 33.880 0.036 A 15 GLN N N 15 121.929 0.008 A 15 GLN NE2 N 15 112.002 0.020 A 16 ASP H H 1 8.952 0.006 A 16 ASP HA H 1 4.284 0.006 A 16 ASP HBx H 1 2.652 0.013 A 16 ASP HBy H 1 2.736 0.007 A 16 ASP CA C 13 56.587 0.019 A 16 ASP CB C 13 38.294 0.020 A 16 ASP N N 15 115.696 0.043 A 17 VAL H H 1 7.339 0.003 A 17 VAL HA H 1 3.876 0.009 A 17 VAL HB H 1 2.115 0.005 A 17 VAL HG1% H 1 0.726 0.009 A 17 VAL HG2% H 1 0.906 0.005 A 17 VAL CA C 13 65.943 0.057 A 17 VAL CB C 13 31.636 0.074 A 17 VAL CGx C 13 22.342 0.053 A 17 VAL CGy C 13 22.342 0.053 A 17 VAL N N 15 123.529 0.031 A 18 VAL H H 1 7.319 0.010 A 18 VAL HA H 1 3.311 0.007 A 18 VAL HB H 1 2.105 0.009 A 18 VAL HGx% H 1 1.034 0.004 A 18 VAL HGy% H 1 0.885 0.011 A 18 VAL CA C 13 67.455 0.025 A 18 VAL CB C 13 31.677 0.065 A 18 VAL CG1 C 13 22.764 0.064 A 18 VAL CG2 C 13 22.764 0.064 A 18 VAL N N 15 119.813 0.034 A 19 LYS H H 1 8.527 0.006 A 19 LYS HA H 1 4.031 0.011 A 19 LYS HBx H 1 1.811 0.002 A 19 LYS HBy H 1 1.811 0.002 A 19 LYS HDx H 1 1.595 0.000 A 19 LYS HDy H 1 1.595 0.000 A 19 LYS HEx H 1 2.869 0.000 A 19 LYS HEy H 1 2.869 0.000 A 19 LYS HG2 H 1 1.332 0.001 A 19 LYS HG3 H 1 1.407 0.004 A 19 LYS CA C 13 59.735 0.024 A 19 LYS CB C 13 32.444 0.068 A 19 LYS CD C 13 29.211 0.093 A 19 LYS CE C 13 42.018 0.030 A 19 LYS CG C 13 25.418 0.098 A 19 LYS N N 15 117.257 0.041 A 20 ALA H H 1 7.436 0.002 A 20 ALA HA H 1 3.961 0.009 A 20 ALA HB% H 1 1.628 0.006 A 20 ALA CA C 13 55.018 0.025 A 20 ALA CB C 13 18.176 0.000 A 20 ALA N N 15 120.943 0.021 A 21 PHE H H 1 7.709 0.011 A 21 PHE HA H 1 2.814 0.006 A 21 PHE HBx H 1 2.845 0.012 A 21 PHE HBy H 1 2.908 0.006 A 21 PHE HDx H 1 6.017 0.005 A 21 PHE HDy H 1 6.017 0.005 A 21 PHE HEx H 1 6.828 0.012 A 21 PHE HEy H 1 6.828 0.012 A 21 PHE CA C 13 60.563 0.016 A 21 PHE CB C 13 37.747 0.026 A 21 PHE CDx C 13 131.492 0.000 A 21 PHE CDy C 13 131.492 0.000 A 21 PHE N N 15 121.447 0.037 A 22 PHE H H 1 7.500 0.006 A 22 PHE HA H 1 3.760 0.006 A 22 PHE HB2 H 1 2.790 0.009 A 22 PHE HB3 H 1 3.070 0.006 A 22 PHE HDx H 1 7.270 0.008 A 22 PHE HDy H 1 7.270 0.008 A 22 PHE CA C 13 62.463 0.032 A 22 PHE CB C 13 38.280 0.025 A 22 PHE CDx C 13 133.722 0.000 A 22 PHE CDy C 13 133.722 0.000 A 22 PHE N N 15 115.993 0.061 A 23 GLU H H 1 8.306 0.007 A 23 GLU HA H 1 3.940 0.004 A 23 GLU HBx H 1 1.901 0.001 A 23 GLU HBy H 1 1.998 0.000 A 23 GLU HGy H 1 2.353 0.000 A 23 GLU HGx H 1 1.353 0.000 A 23 GLU CA C 13 58.700 0.000 A 23 GLU CB C 13 28.070 0.060 A 23 GLU CG C 13 34.013 0.117 A 23 GLU N N 15 120.666 0.054 A 24 LEU H H 1 7.479 0.008 A 24 LEU HA H 1 3.725 0.010 A 24 LEU HBx H 1 0.959 0.004 A 24 LEU HBy H 1 1.290 0.004 A 24 LEU HDx% H 1 0.473 0.002 A 24 LEU HDy% H 1 0.396 0.002 A 24 LEU HG H 1 2.353 0.001 A 24 LEU CA C 13 58.092 0.023 A 24 LEU CB C 13 40.996 0.007 A 24 LEU CDx C 13 24.497 0.048 A 24 LEU CDy C 13 25.639 0.000 A 24 LEU CG C 13 26.957 0.038 A 24 LEU N N 15 124.143 0.038 A 25 LEU H H 1 7.347 0.005 A 25 LEU HA H 1 3.522 0.012 A 25 LEU HBx H 1 1.207 0.011 A 25 LEU HBy H 1 1.361 0.012 A 25 LEU HDx% H 1 0.427 0.005 A 25 LEU HDy% H 1 0.441 0.003 A 25 LEU HG H 1 0.968 0.015 A 25 LEU CA C 13 57.826 0.015 A 25 LEU CB C 13 41.024 0.034 A 25 LEU CDy C 13 25.587 0.057 A 25 LEU CDx C 13 22.163 0.029 A 25 LEU CG C 13 25.793 0.261 A 25 LEU N N 15 116.878 0.059 A 26 LYS H H 1 7.528 0.007 A 26 LYS HA H 1 3.961 0.007 A 26 LYS HBx H 1 1.817 0.003 A 26 LYS HBy H 1 1.817 0.003 A 26 LYS HGx H 1 1.554 0.000 A 26 LYS HGy H 1 1.554 0.000 A 26 LYS CA C 13 58.700 0.000 A 26 LYS CB C 13 32.151 0.013 A 26 LYS CD C 13 28.984 0.000 A 26 LYS CG C 13 24.501 0.000 A 26 LYS N N 15 118.460 0.038 A 27 LYS H H 1 8.122 0.004 A 27 LYS HA H 1 3.964 0.000 A 27 LYS HBx H 1 1.791 0.004 A 27 LYS HBy H 1 1.896 0.000 A 27 LYS CA C 13 58.842 0.120 A 27 LYS CB C 13 31.953 0.157 A 27 LYS CD C 13 29.068 0.139 A 27 LYS CG C 13 24.684 0.102 A 27 LYS N N 15 121.136 0.039 A 28 ASP H H 1 7.786 0.006 A 28 ASP HA H 1 4.622 0.011 A 28 ASP HBx H 1 2.707 0.002 A 28 ASP HBy H 1 3.139 0.003 A 28 ASP CA C 13 52.540 0.000 A 28 ASP CB C 13 37.756 0.005 A 28 ASP N N 15 116.768 0.044 A 29 GLU H H 1 7.231 0.002 A 29 GLU HA H 1 4.052 0.006 A 29 GLU HBx H 1 2.127 0.008 A 29 GLU HBy H 1 2.236 0.000 A 29 GLU HG2 H 1 2.525 0.000 A 29 GLU HG3 H 1 2.525 0.000 A 29 GLU CA C 13 59.400 0.000 A 29 GLU CB C 13 28.547 0.048 A 29 GLU CG C 13 33.515 0.010 A 29 GLU N N 15 119.405 0.044 A 30 THR H H 1 7.894 0.003 A 30 THR HA H 1 4.421 0.000 A 30 THR HB H 1 4.583 0.008 A 30 THR HG2% H 1 1.417 0.006 A 30 THR CA C 13 61.089 0.000 A 30 THR CB C 13 68.781 0.060 A 30 THR CG2 C 13 21.680 0.036 A 30 THR N N 15 105.811 0.056 A 31 LYS H H 1 7.650 0.005 A 31 LYS HA H 1 4.485 0.009 A 31 LYS HBx H 1 1.871 0.006 A 31 LYS HBy H 1 1.952 0.008 A 31 LYS HDx H 1 1.239 0.000 A 31 LYS HDy H 1 1.239 0.000 A 31 LYS CA C 13 56.190 0.017 A 31 LYS CB C 13 34.060 0.063 A 31 LYS CG C 13 26.267 0.089 A 31 LYS N N 15 122.194 0.034 A 32 THR H H 1 7.787 0.005 A 32 THR HA H 1 4.233 0.014 A 32 THR HB H 1 4.451 0.005 A 32 THR HG2% H 1 1.132 0.007 A 32 THR CA C 13 60.798 0.024 A 32 THR CB C 13 70.446 0.029 A 32 THR CG2 C 13 21.851 0.061 A 32 THR N N 15 109.072 0.023 A 33 ASP H H 1 9.280 0.006 A 33 ASP HA H 1 4.594 0.006 A 33 ASP HBx H 1 2.715 0.005 A 33 ASP HBy H 1 2.805 0.003 A 33 ASP CA C 13 58.770 0.014 A 33 ASP CB C 13 37.192 0.012 A 33 ASP N N 15 120.385 0.064 A 34 PRO HA H 1 4.268 0.007 A 34 PRO HBx H 1 1.731 0.016 A 34 PRO HBy H 1 2.287 0.003 A 34 PRO HD2 H 1 3.857 0.004 A 34 PRO HD3 H 1 3.660 0.005 A 34 PRO HGx H 1 1.920 0.003 A 34 PRO HGy H 1 2.036 0.004 A 34 PRO CA C 13 65.956 0.045 A 34 PRO CB C 13 31.185 0.036 A 34 PRO CD C 13 49.998 0.049 A 34 PRO CG C 13 28.288 0.027 A 35 GLU H H 1 7.019 0.007 A 35 GLU HA H 1 3.936 0.009 A 35 GLU HBx H 1 2.345 0.001 A 35 GLU HBy H 1 2.345 0.001 A 35 GLU HGx H 1 2.317 0.000 A 35 GLU HGy H 1 2.317 0.000 A 35 GLU CA C 13 58.500 0.000 A 35 GLU CB C 13 29.201 0.259 A 35 GLU CG C 13 35.015 0.032 A 35 GLU N N 15 116.576 0.037 A 36 ILE H H 1 8.369 0.004 A 36 ILE HA H 1 3.606 0.010 A 36 ILE HB H 1 1.864 0.010 A 36 ILE HD1% H 1 0.778 0.001 A 36 ILE HG12 H 1 1.753 0.015 A 36 ILE HG13 H 1 1.753 0.015 A 36 ILE HG2% H 1 0.797 0.003 A 36 ILE CA C 13 65.649 0.067 A 36 ILE CB C 13 38.181 0.027 A 36 ILE CD1 C 13 13.377 0.058 A 36 ILE CG1 C 13 30.461 0.000 A 36 ILE CG2 C 13 16.534 0.045 A 36 ILE N N 15 122.127 0.046 A 37 GLU H H 1 8.353 0.005 A 37 GLU HA H 1 3.924 0.013 A 37 GLU HBx H 1 2.083 0.006 A 37 GLU HBy H 1 2.083 0.006 A 37 GLU HGx H 1 2.447 0.003 A 37 GLU HGy H 1 2.447 0.003 A 37 GLU CA C 13 59.520 0.020 A 37 GLU CB C 13 28.326 0.112 A 37 GLU CG C 13 34.265 0.048 A 37 GLU N N 15 117.968 0.029 A 38 LYS H H 1 7.520 0.004 A 38 LYS HA H 1 4.094 0.010 A 38 LYS HBx H 1 1.775 0.001 A 38 LYS HBy H 1 1.897 0.000 A 38 LYS HGx H 1 1.562 0.000 A 38 LYS HGy H 1 1.562 0.000 A 38 LYS CA C 13 59.700 0.000 A 38 LYS CB C 13 32.180 0.056 A 38 LYS CD C 13 29.172 0.000 A 38 LYS CG C 13 24.935 0.000 A 38 LYS N N 15 118.828 0.021 A 39 ASP H H 1 7.848 0.008 A 39 ASP HA H 1 4.447 0.008 A 39 ASP HBx H 1 2.499 0.004 A 39 ASP HBy H 1 2.894 0.007 A 39 ASP CA C 13 56.500 0.000 A 39 ASP CB C 13 38.908 0.016 A 39 ASP N N 15 120.922 0.031 A 40 LEU H H 1 8.976 0.005 A 40 LEU HA H 1 4.148 0.004 A 40 LEU HB2 H 1 1.896 0.005 A 40 LEU HB3 H 1 1.515 0.006 A 40 LEU HD1% H 1 1.018 0.006 A 40 LEU HD2% H 1 0.913 0.008 A 40 LEU HG H 1 1.699 0.009 A 40 LEU CA C 13 58.298 0.000 A 40 LEU CB C 13 42.370 0.015 A 40 LEU CD1 C 13 25.685 0.063 A 40 LEU CD2 C 13 24.827 0.070 A 40 LEU CG C 13 27.235 0.000 A 40 LEU N N 15 123.185 0.023 A 41 ASP H H 1 8.611 0.008 A 41 ASP HA H 1 4.227 0.003 A 41 ASP HB2 H 1 2.775 0.009 A 41 ASP HB3 H 1 2.947 0.004 A 41 ASP CA C 13 56.998 0.007 A 41 ASP CB C 13 39.586 0.099 A 41 ASP N N 15 119.246 0.031 A 42 ALA H H 1 7.614 0.003 A 42 ALA HA H 1 4.066 0.001 A 42 ALA HB% H 1 1.482 0.005 A 42 ALA CA C 13 54.622 0.027 A 42 ALA CB C 13 18.006 0.050 A 42 ALA N N 15 119.387 0.008 A 43 TRP H H 1 8.121 0.004 A 43 TRP HA H 1 4.227 0.007 A 43 TRP HB2 H 1 3.157 0.011 A 43 TRP HB3 H 1 3.307 0.008 A 43 TRP HD1 H 1 7.153 0.009 A 43 TRP HE1 H 1 9.991 0.005 A 43 TRP HH2 H 1 7.225 0.015 A 43 TRP HZ2 H 1 7.416 0.001 A 43 TRP HZ3 H 1 6.859 0.000 A 43 TRP CA C 13 61.613 0.026 A 43 TRP CB C 13 28.230 0.262 A 43 TRP CD1 C 13 127.029 0.000 A 43 TRP CH2 C 13 121.509 0.000 A 43 TRP CZ2 C 13 115.423 0.000 A 43 TRP CZ3 C 13 124.344 0.000 A 43 TRP N N 15 120.382 0.030 A 43 TRP NE1 N 15 129.471 0.056 A 44 VAL H H 1 9.040 0.004 A 44 VAL HA H 1 2.863 0.006 A 44 VAL HB H 1 1.749 0.004 A 44 VAL HG1% H 1 0.611 0.009 A 44 VAL HG2% H 1 0.499 0.012 A 44 VAL CA C 13 65.694 0.061 A 44 VAL CB C 13 30.825 0.000 A 44 VAL CG1 C 13 21.679 0.098 A 44 VAL CG2 C 13 22.227 0.000 A 44 VAL N N 15 120.028 0.054 A 45 ASP H H 1 7.485 0.004 A 45 ASP HA H 1 4.319 0.012 A 45 ASP HBx H 1 2.788 0.010 A 45 ASP HBy H 1 2.929 0.006 A 45 ASP CA C 13 56.000 0.000 A 45 ASP CB C 13 38.500 0.000 A 45 ASP N N 15 118.438 0.065 A 46 THR H H 1 7.580 0.003 A 46 THR HA H 1 4.180 0.013 A 46 THR HB H 1 4.176 0.006 A 46 THR HG2% H 1 1.278 0.006 A 46 THR CA C 13 63.252 0.034 A 46 THR CB C 13 70.112 0.031 A 46 THR CG2 C 13 21.313 0.029 A 46 THR N N 15 110.299 0.025 A 47 LEU H H 1 7.022 0.003 A 47 LEU HA H 1 3.838 0.006 A 47 LEU HBx H 1 1.097 0.005 A 47 LEU HBy H 1 1.511 0.005 A 47 LEU HD1% H 1 0.013 0.005 A 47 LEU HD2% H 1 -0.501 0.009 A 47 LEU HG H 1 0.843 0.003 A 47 LEU CA C 13 55.604 0.030 A 47 LEU CB C 13 43.115 0.021 A 47 LEU CD1 C 13 20.721 0.063 A 47 LEU CD2 C 13 23.897 0.054 A 47 LEU CG C 13 25.187 0.062 A 47 LEU N N 15 120.158 0.026 A 48 GLY H H 1 7.667 0.003 A 48 GLY HAx H 1 3.815 0.002 A 48 GLY HAy H 1 4.051 0.005 A 48 GLY CA C 13 44.500 0.017 A 48 GLY N N 15 104.927 0.032 A 49 GLY H H 1 8.533 0.004 A 49 GLY HAx H 1 3.715 0.007 A 49 GLY HAy H 1 3.808 0.004 A 49 GLY CA C 13 46.819 0.019 A 49 GLY N N 15 108.141 0.033 A 50 ASP H H 1 8.335 0.009 A 50 ASP HA H 1 4.821 0.009 A 50 ASP HBx H 1 2.554 0.016 A 50 ASP HBy H 1 2.660 0.011 A 50 ASP CA C 13 52.962 0.001 A 50 ASP CB C 13 39.400 0.000 A 50 ASP N N 15 122.133 0.020 A 51 TYR H H 1 7.307 0.005 A 51 TYR HA H 1 4.026 0.004 A 51 TYR HBx H 1 2.737 0.005 A 51 TYR HBy H 1 2.812 0.014 A 51 TYR HDx H 1 7.250 0.010 A 51 TYR HDy H 1 7.250 0.010 A 51 TYR HEx H 1 6.707 0.000 A 51 TYR HEy H 1 6.707 0.000 A 51 TYR CA C 13 62.982 0.032 A 51 TYR CB C 13 38.425 0.043 A 51 TYR CDx C 13 133.882 0.000 A 51 TYR CDy C 13 133.882 0.000 A 51 TYR CEx C 13 118.334 0.000 A 51 TYR CEy C 13 118.334 0.000 A 51 TYR N N 15 116.727 0.014 A 52 LYS H H 1 8.370 0.003 A 52 LYS HA H 1 3.881 0.007 A 52 LYS HBx H 1 1.837 0.011 A 52 LYS HBy H 1 1.837 0.011 A 52 LYS HDx H 1 1.654 0.002 A 52 LYS HDy H 1 1.654 0.002 A 52 LYS HEx H 1 2.869 0.000 A 52 LYS HEy H 1 2.869 0.000 A 52 LYS HGx H 1 1.419 0.003 A 52 LYS HGy H 1 1.419 0.003 A 52 LYS CA C 13 60.138 0.015 A 52 LYS CB C 13 32.016 0.118 A 52 LYS CD C 13 29.654 0.083 A 52 LYS CE C 13 42.006 0.006 A 52 LYS CG C 13 24.708 0.048 A 52 LYS N N 15 119.945 0.024 A 53 ALA H H 1 7.913 0.011 A 53 ALA HA H 1 4.098 0.005 A 53 ALA HB% H 1 1.414 0.013 A 53 ALA CA C 13 55.203 0.006 A 53 ALA CB C 13 17.795 0.027 A 53 ALA N N 15 121.977 0.043 A 54 LYS H H 1 7.963 0.008 A 54 LYS HA H 1 4.075 0.006 A 54 LYS HBx H 1 1.924 0.000 A 54 LYS HBy H 1 2.109 0.002 A 54 LYS HDx H 1 1.626 0.000 A 54 LYS HDy H 1 1.694 0.000 A 54 LYS CA C 13 59.428 0.017 A 54 LYS CB C 13 33.451 0.043 A 54 LYS CD C 13 29.584 0.076 A 54 LYS CG C 13 25.716 0.000 A 54 LYS N N 15 117.600 0.019 A 55 PHE H H 1 8.967 0.004 A 55 PHE HA H 1 3.917 0.006 A 55 PHE HBx H 1 2.855 0.003 A 55 PHE HBy H 1 3.119 0.009 A 55 PHE HDx H 1 6.213 0.001 A 55 PHE HDy H 1 6.213 0.001 A 55 PHE CA C 13 60.008 0.019 A 55 PHE CB C 13 39.665 0.050 A 55 PHE CDx C 13 131.281 0.000 A 55 PHE CDy C 13 131.281 0.000 A 55 PHE N N 15 123.083 0.017 A 56 GLU H H 1 8.514 0.004 A 56 GLU HA H 1 3.705 0.007 A 56 GLU HB2 H 1 2.102 0.008 A 56 GLU HB3 H 1 2.021 0.004 A 56 GLU HGx H 1 2.495 0.004 A 56 GLU HGy H 1 2.495 0.004 A 56 GLU CA C 13 58.898 0.014 A 56 GLU CB C 13 27.915 0.038 A 56 GLU CG C 13 34.500 0.000 A 56 GLU N N 15 118.603 0.037 A 57 THR H H 1 7.997 0.005 A 57 THR HA H 1 3.803 0.005 A 57 THR HB H 1 4.196 0.012 A 57 THR HG2% H 1 1.182 0.009 A 57 THR CA C 13 66.912 0.025 A 57 THR CB C 13 68.800 0.027 A 57 THR CG2 C 13 21.678 0.090 A 57 THR N N 15 117.055 0.043 A 58 PHE H H 1 7.898 0.006 A 58 PHE HA H 1 4.310 0.009 A 58 PHE HBx H 1 3.181 0.007 A 58 PHE HBy H 1 3.319 0.008 A 58 PHE HDx H 1 7.192 0.005 A 58 PHE HDy H 1 7.192 0.005 A 58 PHE CA C 13 60.800 0.022 A 58 PHE CB C 13 38.994 0.033 A 58 PHE N N 15 123.608 0.026 A 59 LYS H H 1 8.337 0.005 A 59 LYS HA H 1 3.411 0.008 A 59 LYS HBx H 1 1.386 0.000 A 59 LYS HBy H 1 1.478 0.000 A 59 LYS HDx H 1 1.249 0.010 A 59 LYS HDy H 1 1.310 0.021 A 59 LYS HEx H 1 2.187 0.001 A 59 LYS HEy H 1 2.500 0.002 A 59 LYS HGx H 1 0.882 0.001 A 59 LYS HGy H 1 0.915 0.000 A 59 LYS CA C 13 59.959 0.019 A 59 LYS CB C 13 31.609 0.000 A 59 LYS CD C 13 29.231 0.048 A 59 LYS CE C 13 41.180 0.000 A 59 LYS CG C 13 24.694 0.026 A 59 LYS N N 15 119.410 0.035 A 60 LYS H H 1 7.612 0.005 A 60 LYS HA H 1 3.837 0.004 A 60 LYS HBx H 1 1.345 0.000 A 60 LYS HBy H 1 1.484 0.000 A 60 LYS HDx H 1 1.314 0.000 A 60 LYS HDy H 1 1.314 0.000 A 60 LYS HGx H 1 1.526 0.001 A 60 LYS HGy H 1 1.526 0.001 A 60 LYS CA C 13 59.698 0.019 A 60 LYS CB C 13 32.297 0.098 A 60 LYS CD C 13 29.314 0.113 A 60 LYS CE C 13 41.983 0.000 A 60 LYS CG C 13 25.106 0.021 A 60 LYS N N 15 119.497 0.029 A 61 GLU H H 1 8.071 0.008 A 61 GLU HA H 1 3.998 0.009 A 61 GLU HB2 H 1 2.104 0.010 A 61 GLU HB3 H 1 1.874 0.011 A 61 GLU HG2 H 1 2.527 0.000 A 61 GLU HG3 H 1 2.527 0.000 A 61 GLU CA C 13 58.700 0.000 A 61 GLU CB C 13 28.053 0.034 A 61 GLU CG C 13 33.645 0.047 A 61 GLU N N 15 120.540 0.028 A 62 MET H H 1 8.133 0.004 A 62 MET HA H 1 4.097 0.002 A 62 MET HBx H 1 1.745 0.003 A 62 MET HBy H 1 2.058 0.007 A 62 MET HE% H 1 1.962 0.000 A 62 MET CA C 13 57.200 0.000 A 62 MET CB C 13 31.803 0.035 A 62 MET CE C 13 16.856 0.000 A 62 MET CG C 13 32.461 0.049 A 62 MET N N 15 121.290 0.018 A 63 LYS H H 1 7.842 0.004 A 63 LYS HA H 1 3.945 0.004 A 63 LYS HBx H 1 1.783 0.000 A 63 LYS HBy H 1 1.783 0.000 A 63 LYS HEx H 1 2.826 0.017 A 63 LYS HEy H 1 2.826 0.017 A 63 LYS CA C 13 59.000 0.000 A 63 LYS CB C 13 32.010 0.091 A 63 LYS CD C 13 29.007 0.097 A 63 LYS CE C 13 41.990 0.024 A 63 LYS CG C 13 24.955 0.043 A 63 LYS N N 15 120.378 0.005 A 64 ALA H H 1 7.664 0.003 A 64 ALA HA H 1 4.140 0.002 A 64 ALA HB% H 1 1.400 0.013 A 64 ALA CA C 13 54.860 0.000 A 64 ALA CB C 13 17.803 0.152 A 64 ALA N N 15 122.025 0.001 A 65 LYS H H 1 7.982 0.006 A 65 LYS HA H 1 3.999 0.000 A 65 LYS HBx H 1 1.887 0.005 A 65 LYS HBy H 1 1.887 0.005 A 65 LYS CA C 13 58.722 0.092 A 65 LYS CB C 13 31.998 0.091 A 65 LYS CG C 13 24.908 0.119 A 65 LYS N N 15 119.948 0.043 A 66 GLU H H 1 8.261 0.003 A 66 GLU HA H 1 4.034 0.010 A 66 GLU HBx H 1 2.097 0.000 A 66 GLU HBy H 1 2.097 0.000 A 66 GLU HGx H 1 2.524 0.007 A 66 GLU HGy H 1 2.524 0.007 A 66 GLU CA C 13 58.922 0.084 A 66 GLU CB C 13 27.846 0.003 A 66 GLU CG C 13 33.792 0.000 A 66 GLU N N 15 118.632 0.040 A 67 ALA HA H 1 4.181 0.000 A 67 ALA HB% H 1 1.416 0.000 A 67 ALA CA C 13 54.887 0.056 A 67 ALA CB C 13 17.858 0.061 A 68 GLU H H 1 7.829 0.002 A 68 GLU HA H 1 3.911 0.000 A 68 GLU HGx H 1 2.260 0.003 A 68 GLU HGy H 1 2.260 0.003 A 68 GLU CA C 13 58.632 0.032 A 68 GLU CB C 13 28.262 0.146 A 68 GLU CG C 13 33.620 0.042 A 68 GLU N N 15 119.398 0.017 A 69 LEU H H 1 8.428 0.002 A 69 LEU HA H 1 4.038 0.005 A 69 LEU HB2 H 1 1.452 0.002 A 69 LEU HB3 H 1 1.762 0.011 A 69 LEU HDx% H 1 0.804 0.002 A 69 LEU HDy% H 1 0.804 0.002 A 69 LEU CA C 13 58.087 0.008 A 69 LEU CB C 13 41.580 0.034 A 69 LEU CDx C 13 23.170 0.000 A 69 LEU CDy C 13 25.138 0.041 A 69 LEU CG C 13 26.617 0.017 A 69 LEU N N 15 119.871 0.031 A 70 ALA H H 1 8.091 0.014 A 70 ALA HA H 1 4.160 0.006 A 70 ALA HB% H 1 1.439 0.004 A 70 ALA CA C 13 54.831 0.020 A 70 ALA CB C 13 18.000 0.000 A 70 ALA N N 15 122.464 0.034 A 71 LYS H H 1 7.674 0.006 A 71 LYS HA H 1 4.087 0.000 A 71 LYS HBx H 1 1.845 0.000 A 71 LYS HBy H 1 1.845 0.000 A 71 LYS CA C 13 58.836 0.072 A 71 LYS CB C 13 31.610 0.043 A 71 LYS N N 15 119.708 0.008 A 72 ALA H H 1 7.902 0.003 A 72 ALA HA H 1 4.131 0.004 A 72 ALA HB% H 1 1.434 0.004 A 72 ALA CA C 13 54.745 0.074 A 72 ALA CB C 13 17.735 0.001 A 72 ALA N N 15 122.287 0.017 A 73 HIS H H 1 8.458 0.011 A 73 HIS HA H 1 4.393 0.004 A 73 HIS HBx H 1 3.277 0.004 A 73 HIS HBy H 1 3.358 0.008 A 73 HIS CA C 13 58.011 0.016 A 73 HIS CB C 13 28.480 0.020 A 73 HIS N N 15 118.207 0.037 A 74 GLU H H 1 8.226 0.010 A 74 GLU HA H 1 3.906 0.000 A 74 GLU HBx H 1 2.138 0.004 A 74 GLU HBy H 1 2.138 0.004 A 74 GLU HGx H 1 2.454 0.027 A 74 GLU HGy H 1 2.454 0.027 A 74 GLU CA C 13 58.828 0.088 A 74 GLU CB C 13 27.939 0.072 A 74 GLU CG C 13 33.725 0.000 A 74 GLU N N 15 119.264 0.048 A 75 GLU H H 1 7.919 0.001 A 75 GLU HA H 1 4.083 0.004 A 75 GLU HBx H 1 2.005 0.000 A 75 GLU HBy H 1 2.083 0.000 A 75 GLU HGx H 1 2.299 0.007 A 75 GLU HGy H 1 2.299 0.007 A 75 GLU CA C 13 58.251 0.026 A 75 GLU CB C 13 28.219 0.085 A 75 GLU CG C 13 33.965 0.000 A 75 GLU N N 15 122.303 0.005 A 76 ALA H H 1 7.671 0.007 A 76 ALA HA H 1 3.997 0.010 A 76 ALA HB% H 1 1.393 0.005 A 76 ALA CA C 13 54.697 0.018 A 76 ALA CB C 13 17.587 0.063 A 76 ALA N N 15 121.624 0.067 A 77 VAL H H 1 8.045 0.005 A 77 VAL HA H 1 3.804 0.006 A 77 VAL HB H 1 1.865 0.003 A 77 VAL HGx% H 1 0.715 0.011 A 77 VAL HGy% H 1 0.839 0.007 A 77 VAL CA C 13 64.432 0.065 A 77 VAL CB C 13 32.372 0.423 A 77 VAL CGx C 13 20.154 0.000 A 77 VAL CGy C 13 21.055 0.124 A 77 VAL N N 15 119.173 0.000 A 78 ALA H H 1 8.138 0.000 A 78 ALA HA H 1 4.044 0.000 A 78 ALA HB% H 1 1.418 0.000 A 78 ALA CA C 13 54.153 0.098 A 78 ALA CB C 13 18.323 0.059 A 78 ALA N N 15 126.902 0.000 A 79 LYS H H 1 7.198 0.011 A 79 LYS HA H 1 4.313 0.009 A 79 LYS HBx H 1 1.663 0.009 A 79 LYS HBy H 1 2.009 0.000 A 79 LYS HGx H 1 1.452 0.000 A 79 LYS HGy H 1 1.452 0.000 A 79 LYS CA C 13 55.600 0.000 A 79 LYS CB C 13 32.718 0.097 A 79 LYS CD C 13 28.927 0.066 A 79 LYS CE C 13 42.093 0.007 A 79 LYS CG C 13 24.713 0.021 A 79 LYS N N 15 114.908 0.049 A 80 MET H H 1 7.541 0.008 A 80 MET HA H 1 4.418 0.011 A 80 MET HBx H 1 2.045 0.016 A 80 MET HBy H 1 2.764 0.011 A 80 MET HE% H 1 1.831 0.000 A 80 MET HGx H 1 2.482 0.013 A 80 MET CA C 13 56.500 0.000 A 80 MET CB C 13 33.887 0.083 A 80 MET CE C 13 17.959 0.000 A 80 MET CG C 13 33.782 0.018 A 80 MET N N 15 120.096 0.030 A 81 THR H H 1 9.290 0.015 A 81 THR HA H 1 4.346 0.019 A 81 THR HB H 1 4.469 0.005 A 81 THR HG2% H 1 1.118 0.004 A 81 THR CA C 13 61.327 0.018 A 81 THR CB C 13 68.579 0.105 A 81 THR CG2 C 13 21.575 0.110 A 81 THR N N 15 113.534 0.026 A 82 PRO HA H 1 4.052 0.008 A 82 PRO HBx H 1 1.858 0.011 A 82 PRO HBy H 1 2.314 0.003 A 82 PRO HD2 H 1 3.846 0.000 A 82 PRO HD3 H 1 3.678 0.017 A 82 PRO HGx H 1 2.006 0.000 A 82 PRO HGy H 1 2.137 0.005 A 82 PRO CA C 13 65.940 0.043 A 82 PRO CB C 13 31.828 0.062 A 82 PRO CD C 13 49.960 0.001 A 82 PRO CG C 13 27.822 0.014 A 83 GLU H H 1 8.662 0.004 A 83 GLU HA H 1 3.967 0.010 A 83 GLU HBx H 1 1.835 0.003 A 83 GLU HBy H 1 1.998 0.017 A 83 GLU HGx H 1 2.317 0.005 A 83 GLU HGy H 1 2.417 0.008 A 83 GLU CA C 13 59.600 0.000 A 83 GLU CB C 13 28.316 0.058 A 83 GLU CG C 13 35.428 0.017 A 83 GLU N N 15 116.084 0.037 A 84 ALA H H 1 7.695 0.004 A 84 ALA HA H 1 4.057 0.004 A 84 ALA HB% H 1 1.477 0.007 A 84 ALA CA C 13 55.000 0.000 A 84 ALA CB C 13 18.595 0.069 A 84 ALA N N 15 124.175 0.025 A 85 LYS H H 1 8.529 0.009 A 85 LYS HA H 1 3.760 0.004 A 85 LYS HBx H 1 1.737 0.017 A 85 LYS HBy H 1 1.737 0.017 A 85 LYS HDx H 1 1.574 0.000 A 85 LYS HDy H 1 1.574 0.000 A 85 LYS HEx H 1 2.998 0.000 A 85 LYS HEy H 1 3.123 0.008 A 85 LYS HGx H 1 1.235 0.000 A 85 LYS HGy H 1 1.235 0.000 A 85 LYS CA C 13 60.277 0.019 A 85 LYS CB C 13 32.764 0.037 A 85 LYS CD C 13 29.795 0.031 A 85 LYS CE C 13 42.825 0.025 A 85 LYS CG C 13 25.858 0.013 A 85 LYS N N 15 118.796 0.035 A 86 LYS H H 1 7.835 0.007 A 86 LYS HA H 1 4.003 0.003 A 86 LYS HBx H 1 1.793 0.008 A 86 LYS HBy H 1 1.793 0.008 A 86 LYS HGx H 1 1.432 0.002 A 86 LYS HGy H 1 1.432 0.002 A 86 LYS CA C 13 59.200 0.000 A 86 LYS CB C 13 32.356 0.105 A 86 LYS CG C 13 24.853 0.000 A 86 LYS N N 15 119.995 0.069 A 87 ALA H H 1 7.564 0.013 A 87 ALA HA H 1 4.089 0.007 A 87 ALA HB% H 1 1.336 0.016 A 87 ALA CA C 13 54.663 0.037 A 87 ALA CB C 13 18.759 0.000 A 87 ALA N N 15 121.918 0.022 A 88 ASP H H 1 8.819 0.006 A 88 ASP HA H 1 4.187 0.009 A 88 ASP HBx H 1 2.620 0.005 A 88 ASP HBy H 1 2.620 0.005 A 88 ASP CA C 13 57.581 0.019 A 88 ASP CB C 13 41.453 0.000 A 88 ASP N N 15 116.921 0.053 A 89 ALA H H 1 7.993 0.004 A 89 ALA HA H 1 4.066 0.011 A 89 ALA HB% H 1 1.475 0.005 A 89 ALA CA C 13 55.187 0.014 A 89 ALA CB C 13 17.760 0.067 A 89 ALA N N 15 122.006 0.010 A 90 GLU H H 1 7.748 0.004 A 90 GLU HA H 1 4.009 0.000 A 90 GLU HBx H 1 2.021 0.000 A 90 GLU HBy H 1 2.258 0.000 A 90 GLU HGx H 1 2.535 0.000 A 90 GLU HGy H 1 2.535 0.000 A 90 GLU CA C 13 58.693 0.020 A 90 GLU CB C 13 28.499 0.000 A 90 GLU N N 15 118.271 0.023 A 91 LEU H H 1 8.433 0.013 A 91 LEU HA H 1 3.963 0.002 A 91 LEU HBx H 1 1.915 0.000 A 91 LEU HBy H 1 1.915 0.000 A 91 LEU HDx% H 1 0.846 0.000 A 91 LEU CA C 13 58.115 0.077 A 91 LEU CB C 13 41.618 0.000 A 91 LEU N N 15 120.597 0.011 A 92 SER H H 1 8.553 0.005 A 92 SER HA H 1 4.029 0.004 A 92 SER HBx H 1 3.750 0.004 A 92 SER HBy H 1 3.880 0.002 A 92 SER CA C 13 61.657 0.005 A 92 SER CB C 13 62.726 0.036 A 92 SER N N 15 115.986 0.066 A 93 LYS H H 1 7.466 0.004 A 93 LYS HA H 1 3.854 0.006 A 93 LYS HBx H 1 1.833 0.007 A 93 LYS HBy H 1 1.833 0.007 A 93 LYS HGx H 1 1.409 0.000 A 93 LYS HGy H 1 1.409 0.000 A 93 LYS CA C 13 59.000 0.000 A 93 LYS CB C 13 32.243 0.067 A 93 LYS CG C 13 25.052 0.045 A 93 LYS N N 15 120.638 0.024 A 94 ILE H H 1 7.157 0.003 A 94 ILE HA H 1 3.733 0.004 A 94 ILE HB H 1 1.841 0.011 A 94 ILE HD1% H 1 0.717 0.005 A 94 ILE HG1x H 1 1.110 0.000 A 94 ILE HG1y H 1 1.594 0.012 A 94 ILE HG2% H 1 0.842 0.006 A 94 ILE CA C 13 63.836 0.044 A 94 ILE CB C 13 38.142 0.000 A 94 ILE CD1 C 13 13.864 0.056 A 94 ILE CG1 C 13 28.311 0.001 A 94 ILE CG2 C 13 18.927 0.023 A 94 ILE N N 15 118.236 0.046 A 95 ALA H H 1 7.829 0.012 A 95 ALA HA H 1 3.812 0.009 A 95 ALA HB% H 1 1.411 0.004 A 95 ALA CA C 13 55.322 0.033 A 95 ALA CB C 13 18.397 0.110 A 95 ALA N N 15 119.817 0.023 A 96 GLU H H 1 7.550 0.003 A 96 GLU HA H 1 4.269 0.009 A 96 GLU HBx H 1 1.870 0.007 A 96 GLU HBy H 1 2.184 0.018 A 96 GLU HGx H 1 2.448 0.012 A 96 GLU HGy H 1 2.448 0.012 A 96 GLU CA C 13 54.700 0.000 A 96 GLU CB C 13 28.568 0.084 A 96 GLU CG C 13 33.282 0.006 A 96 GLU N N 15 113.237 0.046 A 97 ASP H H 1 7.272 0.005 A 97 ASP HA H 1 4.432 0.005 A 97 ASP HBx H 1 2.817 0.014 A 97 ASP HBy H 1 3.109 0.010 A 97 ASP CA C 13 54.130 0.000 A 97 ASP CB C 13 39.731 0.016 A 97 ASP N N 15 120.540 0.021 A 98 ASP H H 1 8.542 0.007 A 98 ASP HA H 1 4.657 0.003 A 98 ASP HBx H 1 2.795 0.010 A 98 ASP HBy H 1 2.865 0.009 A 98 ASP CA C 13 54.640 0.000 A 98 ASP CB C 13 39.220 0.000 A 98 ASP N N 15 125.783 0.022 A 99 SER H H 1 8.799 0.005 A 99 SER HA H 1 4.401 0.012 A 99 SER HBx H 1 3.799 0.008 A 99 SER HBy H 1 3.910 0.004 A 99 SER CA C 13 59.404 0.039 A 99 SER CB C 13 64.033 0.075 A 99 SER N N 15 115.044 0.035 A 100 LEU H H 1 7.105 0.005 A 100 LEU HA H 1 4.652 0.006 A 100 LEU HBx H 1 1.322 0.008 A 100 LEU HBy H 1 1.675 0.008 A 100 LEU HDx% H 1 0.627 0.005 A 100 LEU HDy% H 1 0.826 0.008 A 100 LEU HG H 1 1.451 0.001 A 100 LEU CA C 13 52.837 0.003 A 100 LEU CB C 13 45.132 0.028 A 100 LEU CDx C 13 22.500 0.010 A 100 LEU CDy C 13 26.794 0.054 A 100 LEU CG C 13 26.827 0.027 A 100 LEU N N 15 121.409 0.030 A 101 ASN H H 1 8.632 0.003 A 101 ASN HA H 1 4.701 0.009 A 101 ASN HBx H 1 2.544 0.002 A 101 ASN HBy H 1 3.104 0.007 A 101 ASN CA C 13 51.205 0.014 A 101 ASN CB C 13 38.435 0.016 A 101 ASN N N 15 121.800 0.000 A 102 GLY H H 1 8.687 0.015 A 102 GLY HAx H 1 3.660 0.007 A 102 GLY HAy H 1 3.954 0.013 A 102 GLY CA C 13 48.004 0.016 A 102 GLY N N 15 105.125 0.029 A 103 ILE H H 1 7.677 0.004 A 103 ILE HA H 1 3.824 0.011 A 103 ILE HB H 1 1.858 0.014 A 103 ILE HD1% H 1 0.759 0.005 A 103 ILE HG1x H 1 1.089 0.010 A 103 ILE HG1y H 1 1.455 0.011 A 103 ILE HG2% H 1 0.819 0.009 A 103 ILE CA C 13 64.189 0.052 A 103 ILE CB C 13 38.158 0.000 A 103 ILE CD1 C 13 12.910 0.050 A 103 ILE CG1 C 13 28.483 0.026 A 103 ILE CG2 C 13 17.241 0.048 A 103 ILE N N 15 123.494 0.059 A 104 GLN H H 1 8.428 0.003 A 104 GLN HA H 1 4.018 0.010 A 104 GLN HBx H 1 2.202 0.001 A 104 GLN HBy H 1 2.276 0.018 A 104 GLN HE21 H 1 6.741 0.000 A 104 GLN HE22 H 1 7.438 0.000 A 104 GLN HG2 H 1 2.543 0.004 A 104 GLN HG3 H 1 2.543 0.004 A 104 GLN CA C 13 58.376 0.093 A 104 GLN CB C 13 28.031 0.000 A 104 GLN CG C 13 33.900 0.034 A 104 GLN N N 15 120.535 0.032 A 104 GLN NE2 N 15 111.319 0.013 A 105 LYS H H 1 8.563 0.006 A 105 LYS HA H 1 3.615 0.011 A 105 LYS HBx H 1 1.569 0.008 A 105 LYS HBy H 1 1.783 0.004 A 105 LYS HGx H 1 1.221 0.000 A 105 LYS HGy H 1 1.550 0.003 A 105 LYS CA C 13 60.525 0.011 A 105 LYS CB C 13 33.527 0.042 A 105 LYS CE C 13 42.617 0.058 A 105 LYS CG C 13 26.705 0.029 A 105 LYS N N 15 118.211 0.023 A 106 ALA HA H 1 3.940 0.000 A 106 ALA HB% H 1 1.316 0.000 A 106 ALA CA C 13 51.537 0.041 A 106 ALA CB C 13 19.300 0.000 A 107 GLN H H 1 8.666 0.000 A 107 GLN HA H 1 4.556 0.020 A 107 GLN CA C 13 55.000 0.000 A 107 GLN CB C 13 28.769 0.181 A 107 GLN N N 15 117.717 0.000 A 108 LYS H H 1 8.065 0.016 A 108 LYS HA H 1 3.994 0.010 A 108 LYS HBx H 1 1.875 0.000 A 108 LYS HBy H 1 1.875 0.000 A 108 LYS CA C 13 59.519 0.062 A 108 LYS CB C 13 32.635 0.000 A 108 LYS N N 15 120.998 0.003 A 109 ILE H H 1 8.560 0.006 A 109 ILE HA H 1 3.493 0.006 A 109 ILE HB H 1 1.832 0.007 A 109 ILE HD1% H 1 0.887 0.004 A 109 ILE HG12 H 1 0.950 0.004 A 109 ILE HG13 H 1 0.950 0.004 A 109 ILE HG2% H 1 0.775 0.015 A 109 ILE CA C 13 65.669 0.047 A 109 ILE CB C 13 38.153 0.010 A 109 ILE CD1 C 13 13.298 0.000 A 109 ILE CG1 C 13 30.465 0.006 A 109 ILE CG2 C 13 16.817 0.059 A 109 ILE N N 15 120.913 0.019 A 110 GLN H H 1 8.130 0.003 A 110 GLN HA H 1 3.993 0.002 A 110 GLN HBx H 1 2.099 0.007 A 110 GLN HBy H 1 2.099 0.007 A 110 GLN HGx H 1 2.407 0.000 A 110 GLN HGy H 1 2.407 0.000 A 110 GLN CA C 13 58.900 0.000 A 110 GLN CB C 13 28.128 0.065 A 110 GLN CG C 13 34.067 0.033 A 110 GLN N N 15 118.820 0.054 A 111 ALA H H 1 7.655 0.010 A 111 ALA HA H 1 4.031 0.004 A 111 ALA HB% H 1 1.448 0.003 A 111 ALA CA C 13 54.800 0.000 A 111 ALA CB C 13 17.970 0.038 A 111 ALA N N 15 120.358 0.025 A 112 ILE H H 1 7.486 0.005 A 112 ILE HA H 1 3.730 0.007 A 112 ILE HB H 1 1.804 0.015 A 112 ILE HD1% H 1 0.680 0.009 A 112 ILE HG1x H 1 1.107 0.009 A 112 ILE HG1y H 1 1.541 0.004 A 112 ILE HG2% H 1 0.666 0.002 A 112 ILE CA C 13 63.853 0.045 A 112 ILE CB C 13 38.161 0.000 A 112 ILE CD1 C 13 13.455 1.058 A 112 ILE CG1 C 13 28.679 0.036 A 112 ILE CG2 C 13 16.638 0.050 A 112 ILE N N 15 117.936 0.034 A 113 TYR H H 1 8.601 0.008 A 113 TYR HA H 1 3.887 0.004 A 113 TYR HBx H 1 2.972 0.005 A 113 TYR HBy H 1 2.972 0.005 A 113 TYR HDx H 1 6.919 0.002 A 113 TYR HDy H 1 6.919 0.002 A 113 TYR HEx H 1 6.671 0.001 A 113 TYR HEy H 1 6.671 0.001 A 113 TYR CA C 13 62.354 0.044 A 113 TYR CB C 13 38.513 0.019 A 113 TYR CDx C 13 133.886 0.000 A 113 TYR CDy C 13 133.886 0.000 A 113 TYR CEx C 13 118.322 0.000 A 113 TYR CEy C 13 118.322 0.000 A 113 TYR N N 15 121.429 0.051 A 114 LYS H H 1 7.882 0.006 A 114 LYS HA H 1 4.048 0.009 A 114 LYS HBx H 1 1.903 0.001 A 114 LYS HBy H 1 1.903 0.001 A 114 LYS HGx H 1 1.506 0.000 A 114 LYS HGy H 1 1.506 0.000 A 114 LYS CA C 13 58.800 0.000 A 114 LYS CB C 13 32.601 0.048 A 114 LYS CE C 13 41.798 0.000 A 114 LYS CG C 13 25.041 0.000 A 114 LYS N N 15 115.456 0.036 A 115 THR H H 1 7.450 0.004 A 115 THR HA H 1 4.338 0.006 A 115 THR HB H 1 4.368 0.011 A 115 THR HG2% H 1 1.218 0.004 A 115 THR CA C 13 61.624 0.012 A 115 THR CB C 13 70.127 0.024 A 115 THR CG2 C 13 21.576 0.046 A 115 THR N N 15 106.935 0.017 A 116 LEU H H 1 7.238 0.012 A 116 LEU HA H 1 4.498 0.007 A 116 LEU HBx H 1 0.990 0.010 A 116 LEU HBy H 1 1.554 0.007 A 116 LEU HDx% H 1 0.491 0.006 A 116 LEU HDy% H 1 0.659 0.010 A 116 LEU HG H 1 0.474 0.004 A 116 LEU CA C 13 52.733 0.040 A 116 LEU CB C 13 41.762 0.012 A 116 LEU CDx C 13 22.234 0.044 A 116 LEU CDy C 13 22.234 0.044 A 116 LEU CG C 13 26.202 0.029 A 116 LEU N N 15 123.049 0.067 A 117 PRO HA H 1 4.482 0.006 A 117 PRO HB2 H 1 2.438 0.000 A 117 PRO HB3 H 1 1.831 0.000 A 117 PRO HD2 H 1 3.282 0.010 A 117 PRO HD3 H 1 3.970 0.006 A 117 PRO HG2 H 1 1.991 0.000 A 117 PRO CA C 13 62.190 0.020 A 117 PRO CB C 13 32.454 0.066 A 117 PRO CD C 13 50.506 0.013 A 117 PRO CG C 13 27.569 0.025 A 118 GLN H H 1 8.997 0.010 A 118 GLN HA H 1 3.599 0.008 A 118 GLN HBx H 1 1.948 0.012 A 118 GLN HBy H 1 2.192 0.006 A 118 GLN HE2x H 1 6.933 0.004 A 118 GLN HE2y H 1 7.684 0.003 A 118 GLN HGx H 1 2.265 0.009 A 118 GLN HGy H 1 2.350 0.006 A 118 GLN CA C 13 58.914 0.086 A 118 GLN CB C 13 28.200 0.086 A 118 GLN CG C 13 33.227 0.032 A 118 GLN N N 15 124.699 0.020 A 118 GLN NE2 N 15 115.783 0.066 A 119 SER H H 1 8.756 0.006 A 119 SER HA H 1 3.870 0.014 A 119 SER HBx H 1 4.055 0.007 A 119 SER HBy H 1 4.055 0.007 A 119 SER CA C 13 61.300 0.000 A 119 SER CB C 13 61.791 0.000 A 119 SER N N 15 112.132 0.040 A 120 VAL H H 1 6.866 0.008 A 120 VAL HA H 1 3.823 0.007 A 120 VAL HB H 1 1.971 0.008 A 120 VAL HG1% H 1 0.752 0.017 A 120 VAL HG2% H 1 0.876 0.010 A 120 VAL CA C 13 65.403 0.073 A 120 VAL CB C 13 31.735 0.060 A 120 VAL CG1 C 13 21.823 0.055 A 120 VAL CG2 C 13 22.988 0.073 A 120 VAL N N 15 123.339 0.039 A 121 LYS H H 1 7.805 0.005 A 121 LYS HA H 1 3.655 0.008 A 121 LYS HBx H 1 1.790 0.004 A 121 LYS HBy H 1 1.790 0.004 A 121 LYS HDx H 1 1.264 0.013 A 121 LYS HDy H 1 1.264 0.013 A 121 LYS HGx H 1 1.530 0.000 A 121 LYS HGy H 1 1.530 0.000 A 121 LYS CA C 13 61.064 0.040 A 121 LYS CB C 13 31.951 0.165 A 121 LYS CD C 13 29.668 0.000 A 121 LYS CG C 13 26.568 0.002 A 121 LYS N N 15 120.053 0.066 A 122 ASP H H 1 8.520 0.004 A 122 ASP HA H 1 4.295 0.006 A 122 ASP HBx H 1 2.643 0.006 A 122 ASP HBy H 1 2.771 0.008 A 122 ASP CA C 13 56.694 0.000 A 122 ASP CB C 13 39.047 0.000 A 122 ASP N N 15 117.269 0.017 A 123 GLU H H 1 7.499 0.004 A 123 GLU HA H 1 3.988 0.012 A 123 GLU HB2 H 1 2.223 0.000 A 123 GLU HB3 H 1 2.078 0.015 A 123 GLU HGx H 1 2.212 0.008 A 123 GLU HGy H 1 2.629 0.010 A 123 GLU CA C 13 59.663 0.064 A 123 GLU CB C 13 30.790 0.063 A 123 GLU CG C 13 36.254 0.012 A 123 GLU N N 15 119.790 0.026 A 124 LEU H H 1 8.020 0.008 A 124 LEU HA H 1 3.993 0.004 A 124 LEU HB2 H 1 1.509 0.008 A 124 LEU HB3 H 1 1.867 0.005 A 124 LEU HDx% H 1 0.808 0.011 A 124 LEU HDy% H 1 0.808 0.011 A 124 LEU HG H 1 0.719 0.011 A 124 LEU CA C 13 57.210 0.017 A 124 LEU CB C 13 41.597 0.025 A 124 LEU CDx C 13 22.545 0.068 A 124 LEU CDy C 13 22.545 0.068 A 124 LEU CG C 13 26.036 0.087 A 124 LEU N N 15 118.211 0.063 A 125 GLU H H 1 8.060 0.004 A 125 GLU HA H 1 4.018 0.005 A 125 GLU HBx H 1 2.067 0.003 A 125 GLU HBy H 1 2.067 0.003 A 125 GLU HGx H 1 2.429 0.014 A 125 GLU HGy H 1 2.429 0.014 A 125 GLU CA C 13 57.727 0.000 A 125 GLU CB C 13 28.412 0.034 A 125 GLU CG C 13 33.753 0.065 A 125 GLU N N 15 117.899 0.023 A 126 LYS H H 1 7.657 0.004 A 126 LYS HA H 1 4.101 0.011 A 126 LYS HBx H 1 1.814 0.003 A 126 LYS HBy H 1 1.814 0.003 A 126 LYS HGx H 1 1.473 0.000 A 126 LYS HGy H 1 1.473 0.000 A 126 LYS CA C 13 57.453 0.000 A 126 LYS CB C 13 32.551 0.028 A 126 LYS CD C 13 28.937 0.000 A 126 LYS CE C 13 41.924 0.000 A 126 LYS CG C 13 24.870 0.147 A 126 LYS N N 15 118.123 0.032 A 127 GLY H H 1 7.880 0.006 A 127 GLY HAx H 1 3.629 0.012 A 127 GLY HAy H 1 3.970 0.009 A 127 GLY CA C 13 45.447 0.027 A 127 GLY N N 15 106.728 0.032 A 128 ILE H H 1 7.816 0.007 A 128 ILE HA H 1 4.106 0.004 A 128 ILE HB H 1 1.799 0.009 A 128 ILE HD1% H 1 0.686 0.006 A 128 ILE HG1x H 1 1.019 0.006 A 128 ILE HG1y H 1 1.334 0.007 A 128 ILE HG2% H 1 0.734 0.013 A 128 ILE CA C 13 61.075 0.032 A 128 ILE CB C 13 38.968 0.008 A 128 ILE CD1 C 13 13.249 0.050 A 128 ILE CG1 C 13 27.103 0.000 A 128 ILE CG2 C 13 17.606 0.023 A 128 ILE N N 15 117.946 0.051 A 129 GLY H H 1 7.950 0.005 A 129 GLY HAx H 1 3.968 0.011 A 129 GLY HAy H 1 3.968 0.011 A 129 GLY CA C 13 44.442 0.041 A 129 GLY N N 15 111.473 0.052 A 130 PRO HA H 1 4.283 0.004 A 130 PRO HBx H 1 1.830 0.007 A 130 PRO HBy H 1 2.136 0.001 A 130 PRO HDy H 1 3.473 0.006 A 130 PRO CA C 13 62.850 0.122 A 130 PRO CB C 13 31.610 0.055 A 130 PRO CD C 13 49.700 0.020 A 130 PRO CG C 13 27.087 0.064 A 131 ALA H H 1 8.198 0.008 A 131 ALA HA H 1 4.163 0.002 A 131 ALA HB% H 1 1.203 0.009 A 131 ALA CA C 13 52.313 0.026 A 131 ALA CB C 13 19.000 0.000 A 131 ALA N N 15 123.923 0.052 A 132 VAL H H 1 7.825 0.007 A 132 VAL HA H 1 4.269 0.004 A 132 VAL HB H 1 1.911 0.011 A 132 VAL HGx% H 1 0.759 0.000 A 132 VAL HGy% H 1 0.804 0.003 A 132 VAL CA C 13 59.423 0.019 A 132 VAL CB C 13 32.560 0.037 A 132 VAL CGx C 13 20.146 0.005 A 132 VAL CGy C 13 21.040 0.085 A 132 VAL N N 15 119.517 0.108 A 133 PRO HA H 1 4.275 0.008 A 133 PRO HBx H 1 1.832 0.006 A 133 PRO HBy H 1 2.141 0.003 A 133 PRO HDx H 1 3.503 0.002 A 133 PRO HDy H 1 3.712 0.003 A 133 PRO HGx H 1 1.817 0.004 A 133 PRO HGy H 1 1.915 0.006 A 133 PRO CA C 13 63.262 0.036 A 133 PRO CB C 13 31.829 0.082 A 133 PRO CD C 13 50.823 0.014 A 133 PRO CG C 13 27.243 0.045 A 134 GLN H H 1 8.017 0.003 A 134 GLN HA H 1 4.121 0.000 A 134 GLN HBx H 1 1.813 0.002 A 134 GLN HBy H 1 2.023 0.001 A 134 GLN HE2x H 1 6.729 0.009 A 134 GLN HE2y H 1 7.459 0.010 A 134 GLN HGx H 1 2.236 0.000 A 134 GLN HGy H 1 2.236 0.000 A 134 GLN CA C 13 56.384 0.022 A 134 GLN CB C 13 30.352 0.065 A 134 GLN CG C 13 34.088 0.038 A 134 GLN N N 15 123.994 0.032 A 134 GLN NE2 N 15 112.388 0.074 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 57 THR HB A 58 PHE H 1.0 . 3.79 2 2 A 17 VAL HA A 21 PHE H 1.0 . 4.83 3 3 A 34 PRO HA A 37 GLU HBx 1.0 . 3.46 4 3 A 34 PRO HA A 37 GLU HBy 1.0 . 3.46 5 4 A 44 VAL HA A 47 LEU H 1.0 . 4.10 6 5 A 44 VAL HA A 46 THR H 1.0 . 5.10 7 6 A 36 ILE HA A 39 ASP HBx 1.0 . 4.79 8 7 A 36 ILE HA A 39 ASP H 1.0 . 4.27 9 8 A 109 ILE HA A 112 ILE HB 1.0 . 5.13 10 9 A 100 LEU H A 99 SER HBx 1.0 . 4.40 11 10 A 100 LEU H A 99 SER HBy 1.0 . 4.40 12 11 A 51 TYR HA A 53 ALA H 1.0 . 4.64 13 12 A 25 LEU HA A 28 ASP H 1.0 . 4.02 14 13 A 25 LEU HA A 28 ASP HBx 1.0 . 5.38 15 14 A 52 LYS HA A 55 PHE H 1.0 . 5.50 16 15 A 52 LYS HA A 55 PHE HBy 1.0 . 4.51 17 16 A 13 ALA HA A 17 VAL HB 1.0 . 4.38 18 17 A 51 TYR H A 49 GLY HAx 1.0 . 4.98 19 18 A 105 LYS H A 102 GLY HAy 1.0 . 5.50 20 19 A 10 LEU H A 11 ALA HA 1.0 . 5.07 21 20 A 70 ALA H A 69 LEU HB3 1.0 . 5.50 22 21 A 70 ALA H A 69 LEU HB2 1.0 . 5.50 23 22 A 59 LYS H A 58 PHE HBx 1.0 . 5.50 24 23 A 59 LYS H A 58 PHE HBy 1.0 . 5.50 25 24 A 38 LYS HA A 41 ASP HB3 1.0 . 3.96 26 25 A 56 GLU H A 55 PHE HBx 1.0 . 4.75 27 26 A 74 GLU H A 73 HIS HBy 1.0 . 5.50 28 27 A 74 GLU H A 73 HIS HBx 1.0 . 5.50 29 28 A 60 LYS H A 59 LYS HBx 1.0 . 5.50 30 29 A 42 ALA HA A 45 ASP H 1.0 . 3.71 31 30 A 46 THR H A 43 TRP HA 1.0 . 3.99 32 31 A 90 GLU HA A 93 LYS HBx 1.0 . 4.12 33 31 A 90 GLU HA A 93 LYS HBy 1.0 . 4.12 34 32 A 72 ALA HA A 75 GLU H 1.0 . 3.64 35 33 A 83 GLU HA A 86 LYS HBx 1.0 . 3.54 36 33 A 83 GLU HA A 86 LYS HBy 1.0 . 3.54 37 34 A 32 THR HB A 34 PRO HD2 1.0 . 3.87 38 35 A 58 PHE HD% A 59 LYS HA 1.0 . 5.47 39 36 A 52 LYS HA A 52 LYS HDx 1.0 . 6.32 40 36 A 52 LYS HA A 52 LYS HDy 1.0 . 6.32 41 37 A 81 THR H A 82 PRO HD2 1.0 . 5.50 42 38 A 56 GLU HA A 59 LYS HEx 1.0 . 4.61 43 39 A 31 LYS HA A 31 LYS HDx 1.0 . 3.84 44 39 A 31 LYS HA A 31 LYS HDy 1.0 . 3.84 45 40 A 29 GLU H A 29 GLU HG2 1.0 . 3.94 46 40 A 29 GLU H A 29 GLU HG3 1.0 . 3.94 47 41 A 109 ILE H A 109 ILE HG12 1.0 . 4.84 48 41 A 109 ILE H A 109 ILE HG13 1.0 . 4.84 49 42 A 86 LYS H A 86 LYS HGx 1.0 . 2.74 50 42 A 86 LYS H A 86 LYS HGy 1.0 . 2.74 51 43 A 112 ILE H A 112 ILE HG1x 1.0 . 4.17 52 44 A 109 ILE HA A 112 ILE HG2% 1.0 . 6.52 53 45 A 43 TRP HA A 46 THR HG2% 1.0 . 5.00 54 46 A 10 LEU HA A 13 ALA HB% 1.0 . 6.52 55 47 A 47 LEU HA A 47 LEU HD1% 1.0 . 4.93 56 48 A 73 HIS HA A 76 ALA HB% 1.0 . 5.13 57 49 A 3 THR HG2% A 4 PRO HDx 1.0 . 4.27 58 50 A 13 ALA HB% A 14 PRO HD2 1.0 . 3.85 59 51 A 61 GLU HA A 64 ALA HB% 1.0 . 2.81 60 52 A 70 ALA HB% A 73 HIS H 1.0 . 5.77 61 53 A 115 THR H A 115 THR HG2% 1.0 . 4.06 62 54 A 94 ILE H A 94 ILE HD1% 1.0 . 4.54 63 55 A 94 ILE HD1% A 95 ALA H 1.0 . 4.88 64 56 A 8 PRO HGy A 9 PHE HBx 1.0 . 6.17 65 56 A 8 PRO HGx A 9 PHE HBx 1.0 . 6.17 66 56 A 9 PHE HBy A 8 PRO HGx 1.0 . 6.17 67 56 A 8 PRO HGy A 9 PHE HBy 1.0 . 6.17 68 57 A 9 PHE H A 8 PRO HDx 1.0 . 4.96 69 57 A 8 PRO HDy A 9 PHE H 1.0 . 4.96 70 58 A 21 PHE H A 10 LEU HDy% 1.0 . 4.76 71 58 A 21 PHE H A 10 LEU HDx% 1.0 . 4.76 72 59 A 21 PHE HD% A 10 LEU HDy% 1.0 . 4.85 73 59 A 10 LEU HDx% A 21 PHE HD% 1.0 . 4.85 74 60 A 21 PHE HE% A 10 LEU HDy% 1.0 . 5.15 75 60 A 10 LEU HDx% A 21 PHE HE% 1.0 . 5.15 76 61 A 20 ALA HA A 23 GLU HBx 1.0 . 3.25 77 61 A 20 ALA HA A 23 GLU HBy 1.0 . 3.25 78 62 A 22 PHE HA A 25 LEU HDy% 1.0 . 4.76 79 62 A 22 PHE HA A 25 LEU HDx% 1.0 . 4.76 80 63 A 25 LEU H A 25 LEU HDy% 1.0 . 2.92 81 63 A 25 LEU HDx% A 25 LEU H 1.0 . 2.92 82 64 A 35 GLU H A 34 PRO HD3 1.0 . 4.27 83 64 A 34 PRO HD2 A 35 GLU H 1.0 . 4.27 84 65 A 70 ALA HA A 73 HIS HBy 1.0 . 3.55 85 65 A 70 ALA HA A 73 HIS HBx 1.0 . 3.55 86 66 A 75 GLU H A 88 ASP HBx 1.0 . 6.38 87 66 A 75 GLU H A 88 ASP HBy 1.0 . 6.38 88 67 A 77 VAL HGx% A 88 ASP HBx 1.0 . 7.26 89 67 A 77 VAL HGy% A 88 ASP HBx 1.0 . 7.26 90 67 A 88 ASP HBy A 77 VAL HGy% 1.0 . 7.26 91 67 A 88 ASP HBy A 77 VAL HGx% 1.0 . 7.26 92 68 A 100 LEU HG A 97 ASP HBy 1.0 . 4.37 93 68 A 97 ASP HBx A 100 LEU HG 1.0 . 4.37 94 69 A 99 SER HA A 99 SER HBy 1.0 . 2.52 95 69 A 99 SER HA A 99 SER HBx 1.0 . 2.52 96 70 A 102 GLY H A 101 ASN HBy 1.0 . 3.47 97 70 A 101 ASN HBx A 102 GLY H 1.0 . 3.47 98 71 A 128 ILE H A 128 ILE HG1y 1.0 . 3.41 99 71 A 128 ILE H A 128 ILE HG1x 1.0 . 3.41 100 72 A 21 PHE H A 18 VAL HA 1.0 . 4.21 101 73 A 82 PRO HA A 85 LYS HBx 1.0 . 3.96 102 73 A 82 PRO HA A 85 LYS HBy 1.0 . 3.96 103 74 A 77 VAL HA A 80 MET H 1.0 . 3.60 104 75 A 97 ASP HBx A 94 ILE HA 1.0 . 5.50 105 76 A 94 ILE HA A 97 ASP HBy 1.0 . 5.50 106 77 A 94 ILE HA A 93 LYS H 1.0 . 5.10 107 78 A 55 PHE HA A 58 PHE HBy 1.0 . 4.27 108 79 A 128 ILE HB A 129 GLY H 1.0 . 5.50 109 80 A 38 LYS HA A 41 ASP HB2 1.0 . 3.96 110 81 A 110 GLN HA A 113 TYR HBx 1.0 . 5.36 111 81 A 110 GLN HA A 113 TYR HBy 1.0 . 5.36 112 82 A 41 ASP HA A 44 VAL H 1.0 . 4.76 113 83 A 45 ASP HA A 48 GLY H 1.0 . 5.22 114 84 A 55 PHE HA A 58 PHE HBx 1.0 . 4.27 115 85 A 88 ASP HA A 91 LEU HBx 1.0 . 6.10 116 85 A 88 ASP HA A 91 LEU HBy 1.0 . 6.10 117 86 A 63 LYS HA A 66 GLU HBx 1.0 . 4.36 118 86 A 63 LYS HA A 66 GLU HBy 1.0 . 4.36 119 87 A 70 ALA HA A 73 HIS HBx 1.0 . 4.08 120 88 A 119 SER H A 118 GLN HBy 1.0 . 5.50 121 89 A 77 VAL H A 77 VAL HB 1.0 . 3.18 122 90 A 3 THR HB A 2 ASP HBx 1.0 . 6.38 123 90 A 2 ASP HBy A 3 THR HB 1.0 . 6.38 124 91 A 34 PRO HA A 37 GLU HGx 1.0 . 3.87 125 91 A 34 PRO HA A 37 GLU HGy 1.0 . 3.87 126 92 A 22 PHE HA A 25 LEU HG 1.0 . 5.31 127 93 A 53 ALA HA A 56 GLU HGx 1.0 . 4.49 128 93 A 53 ALA HA A 56 GLU HGy 1.0 . 4.49 129 94 A 43 TRP HH2 A 47 LEU HBx 1.0 . 5.50 130 95 A 120 VAL HA A 123 GLU HGx 1.0 . 4.11 131 96 A 38 LYS H A 38 LYS HGx 1.0 . 3.86 132 96 A 38 LYS H A 38 LYS HGy 1.0 . 3.86 133 97 A 79 LYS H A 79 LYS HGx 1.0 . 4.03 134 97 A 79 LYS H A 79 LYS HGy 1.0 . 4.03 135 98 A 37 GLU H A 37 GLU HGx 1.0 . 4.31 136 98 A 37 GLU HGy A 37 GLU H 1.0 . 4.31 137 99 A 96 GLU H A 96 GLU HGx 1.0 . 3.41 138 99 A 96 GLU H A 96 GLU HGy 1.0 . 3.41 139 100 A 92 SER HA A 95 ALA HB% 1.0 . 4.44 140 101 A 10 LEU HA A 10 LEU HDy% 1.0 . 4.54 141 102 A 97 ASP HBy A 100 LEU HDy% 1.0 . 5.11 142 103 A 33 ASP HA A 36 ILE HG2% 1.0 . 6.52 143 104 A 69 LEU HA A 69 LEU HDx% 1.0 . 3.99 144 104 A 69 LEU HA A 69 LEU HDy% 1.0 . 3.99 145 105 A 20 ALA HB% A 43 TRP HE1 1.0 . 6.52 146 106 A 43 TRP HZ2 A 47 LEU HD2% 1.0 . 5.07 147 107 A 47 LEU H A 47 LEU HD1% 1.0 . 4.38 148 108 A 84 ALA HB% A 85 LYS H 1.0 . 3.26 149 109 A 103 ILE HA A 103 ILE HD1% 1.0 . 4.82 150 110 A 103 ILE HD1% A 104 GLN HA 1.0 . 4.65 151 111 A 69 LEU HA A 72 ALA HB% 1.0 . 6.52 152 112 A 94 ILE HD1% A 94 ILE HA 1.0 . 3.85 153 113 A 125 GLU HA A 124 LEU HDx% 1.0 . 3.26 154 113 A 124 LEU HDy% A 125 GLU HA 1.0 . 3.26 155 114 A 18 VAL HA A 10 LEU HDy% 1.0 . 4.76 156 114 A 10 LEU HDx% A 18 VAL HA 1.0 . 4.76 157 115 A 18 VAL HA A 21 PHE HBx 1.0 . 4.08 158 115 A 18 VAL HA A 21 PHE HBy 1.0 . 4.08 159 116 A 21 PHE HA A 24 LEU HBx 1.0 . 3.35 160 116 A 21 PHE HA A 24 LEU HBy 1.0 . 3.35 161 117 A 22 PHE HA A 25 LEU HBx 1.0 . 3.87 162 117 A 22 PHE HA A 25 LEU HBy 1.0 . 3.87 163 118 A 24 LEU HA A 27 LYS HBx 1.0 . 5.34 164 118 A 24 LEU HA A 27 LYS HBy 1.0 . 5.34 165 119 A 41 ASP HA A 44 VAL HG2% 1.0 . 4.28 166 119 A 41 ASP HA A 44 VAL HG1% 1.0 . 4.28 167 120 A 42 ALA H A 41 ASP HB3 1.0 . 3.01 168 120 A 41 ASP HB2 A 42 ALA H 1.0 . 3.01 169 121 A 42 ALA HA A 45 ASP HBy 1.0 . 4.22 170 121 A 42 ALA HA A 45 ASP HBx 1.0 . 4.22 171 122 A 43 TRP HH2 A 47 LEU HD2% 1.0 . 4.46 172 122 A 43 TRP HH2 A 47 LEU HD1% 1.0 . 4.46 173 123 A 51 TYR HD% A 47 LEU HD2% 1.0 . 8.44 174 123 A 47 LEU HD1% A 51 TYR HD% 1.0 . 8.44 175 124 A 51 TYR H A 49 GLY HAx 1.0 . 4.01 176 124 A 51 TYR H A 49 GLY HAy 1.0 . 4.01 177 125 A 56 GLU HA A 59 LYS HBy 1.0 . 3.45 178 125 A 56 GLU HA A 59 LYS HBx 1.0 . 3.45 179 126 A 59 LYS HBy A 59 LYS HEx 1.0 . 3.55 180 126 A 59 LYS HBx A 59 LYS HEx 1.0 . 3.55 181 126 A 59 LYS HEy A 59 LYS HBy 1.0 . 3.55 182 126 A 59 LYS HBx A 59 LYS HEy 1.0 . 3.55 183 127 A 91 LEU H A 90 GLU HBx 1.0 . 3.51 184 127 A 90 GLU HBy A 91 LEU H 1.0 . 3.51 185 128 A 94 ILE HA A 97 ASP HBy 1.0 . 3.58 186 128 A 97 ASP HBx A 94 ILE HA 1.0 . 3.58 187 129 A 95 ALA HA A 94 ILE HG1y 1.0 . 4.24 188 129 A 94 ILE HG1x A 95 ALA HA 1.0 . 4.24 189 130 A 97 ASP HBx A 100 LEU HBx 1.0 . 4.52 190 130 A 100 LEU HBy A 97 ASP HBy 1.0 . 4.52 191 130 A 97 ASP HBx A 100 LEU HBy 1.0 . 4.52 192 130 A 97 ASP HBy A 100 LEU HBx 1.0 . 4.52 193 131 A 101 ASN H A 100 LEU HDy% 1.0 . 4.28 194 131 A 100 LEU HDx% A 101 ASN H 1.0 . 4.28 195 132 A 105 LYS H A 105 LYS HGy 1.0 . 3.79 196 132 A 105 LYS H A 105 LYS HGx 1.0 . 3.79 197 133 A 127 GLY HAy A 130 PRO HBy 1.0 . 4.67 198 133 A 127 GLY HAx A 130 PRO HBy 1.0 . 4.67 199 133 A 130 PRO HBx A 127 GLY HAx 1.0 . 4.67 200 133 A 127 GLY HAy A 130 PRO HBx 1.0 . 4.67 201 134 A 16 ASP H A 19 LYS H 1.0 . 5.48 202 135 A 12 GLY H A 13 ALA H 1.0 . 3.86 203 136 A 38 LYS H A 37 GLU H 1.0 . 4.14 204 137 A 119 SER H A 122 ASP H 1.0 . 4.57 205 138 A 58 PHE H A 59 LYS H 1.0 . 4.17 206 139 A 31 LYS H A 32 THR H 1.0 . 5.23 207 140 A 47 LEU H A 46 THR H 1.0 . 3.62 208 141 A 94 ILE H A 95 ALA H 1.0 . 3.10 209 142 A 96 GLU H A 97 ASP H 1.0 . 3.70 210 143 A 51 TYR H A 52 LYS H 1.0 . 3.84 211 144 A 34 PRO HA A 37 GLU H 1.0 . 4.49 212 145 A 19 LYS HA A 22 PHE H 1.0 . 4.43 213 146 A 23 GLU H A 22 PHE HB3 1.0 . 3.32 214 147 A 46 THR H A 45 ASP HBy 1.0 . 4.29 215 148 A 40 LEU H A 39 ASP HBx 1.0 . 4.47 216 149 A 32 THR H A 35 GLU HBx 1.0 . 4.00 217 149 A 32 THR H A 35 GLU HBy 1.0 . 4.00 218 150 A 36 ILE H A 35 GLU HBx 1.0 . 4.91 219 150 A 35 GLU HBy A 36 ILE H 1.0 . 4.91 220 151 A 39 ASP H A 38 LYS H 1.0 . 2.99 221 152 A 103 ILE HB A 104 GLN H 1.0 . 3.74 222 153 A 47 LEU H A 48 GLY H 1.0 . 3.24 223 154 A 38 LYS H A 37 GLU HBx 1.0 . 4.40 224 154 A 37 GLU HBy A 38 LYS H 1.0 . 4.40 225 155 A 38 LYS H A 35 GLU HA 1.0 . 4.43 226 156 A 94 ILE H A 93 LYS H 1.0 . 2.80 227 157 A 21 PHE H A 22 PHE H 1.0 . 3.84 228 158 A 113 TYR H A 114 LYS H 1.0 . 4.12 229 159 A 48 GLY H A 49 GLY H 1.0 . 4.81 230 160 A 122 ASP H A 119 SER HA 1.0 . 5.50 231 161 A 41 ASP HB2 A 42 ALA H 1.0 . 3.89 232 162 A 53 ALA H A 50 ASP HA 1.0 . 3.89 233 163 A 58 PHE HA A 61 GLU H 1.0 . 3.79 234 164 A 85 LYS HA A 88 ASP H 1.0 . 3.87 235 165 A 92 SER H A 91 LEU HBx 1.0 . 3.45 236 165 A 91 LEU HBy A 92 SER H 1.0 . 3.45 237 166 A 96 GLU H A 95 ALA HA 1.0 . 3.48 238 167 A 97 ASP H A 96 GLU HBy 1.0 . 5.50 239 168 A 97 ASP H A 96 GLU HBx 1.0 . 5.50 240 169 A 95 ALA H A 96 GLU H 1.0 . 4.32 241 170 A 95 ALA H A 94 ILE HB 1.0 . 4.08 242 171 A 122 ASP H A 125 GLU H 1.0 . 5.34 243 172 A 128 ILE H A 129 GLY H 1.0 . 3.83 244 173 A 105 LYS H A 104 GLN H 1.0 . 4.03 245 174 A 102 GLY H A 103 ILE H 1.0 . 3.52 246 175 A 15 GLN HA A 18 VAL H 1.0 . 3.36 247 176 A 40 LEU HA A 43 TRP H 1.0 . 3.87 248 177 A 21 PHE HD% A 22 PHE H 1.0 . 4.31 249 178 A 118 GLN HA A 118 GLN HE2y 1.0 . 5.50 250 179 A 20 ALA H A 19 LYS HEx 1.0 . 4.62 251 179 A 19 LYS HEy A 20 ALA H 1.0 . 4.62 252 180 A 90 GLU H A 90 GLU HGx 1.0 . 4.14 253 180 A 90 GLU H A 90 GLU HGy 1.0 . 4.14 254 181 A 110 GLN H A 110 GLN HGx 1.0 . 2.69 255 181 A 110 GLN H A 110 GLN HGy 1.0 . 2.69 256 182 A 19 LYS H A 19 LYS HDx 1.0 . 6.38 257 182 A 19 LYS H A 19 LYS HDy 1.0 . 6.38 258 183 A 60 LYS H A 60 LYS HGx 1.0 . 2.92 259 183 A 60 LYS H A 60 LYS HGy 1.0 . 2.92 260 184 A 52 LYS H A 52 LYS HGx 1.0 . 2.96 261 184 A 52 LYS H A 52 LYS HGy 1.0 . 2.96 262 185 A 40 LEU HG A 41 ASP H 1.0 . 5.02 263 186 A 94 ILE H A 94 ILE HG1y 1.0 . 4.79 264 187 A 54 LYS H A 54 LYS HDy 1.0 . 4.00 265 188 A 34 PRO HD2 A 33 ASP H 1.0 . 4.73 266 189 A 74 GLU H A 74 GLU HGx 1.0 . 4.42 267 189 A 74 GLU H A 74 GLU HGy 1.0 . 4.42 268 190 A 79 LYS H A 78 ALA HB% 1.0 . 4.10 269 191 A 19 LYS H A 18 VAL HGy% 1.0 . 5.50 270 192 A 121 LYS H A 120 VAL HG2% 1.0 . 3.89 271 193 A 94 ILE H A 94 ILE HG2% 1.0 . 5.04 272 194 A 125 GLU H A 124 LEU HDx% 1.0 . 4.47 273 194 A 124 LEU HDy% A 125 GLU H 1.0 . 4.47 274 195 A 58 PHE H A 57 THR HG2% 1.0 . 4.17 275 196 A 110 GLN H A 109 ILE HD1% 1.0 . 5.30 276 197 A 124 LEU H A 124 LEU HDx% 1.0 . 4.53 277 197 A 124 LEU HDy% A 124 LEU H 1.0 . 4.53 278 198 A 76 ALA HB% A 77 VAL H 1.0 . 3.20 279 199 A 73 HIS H A 72 ALA HB% 1.0 . 3.06 280 200 A 31 LYS H A 30 THR HG2% 1.0 . 6.52 281 201 A 24 LEU H A 24 LEU HDx% 1.0 . 4.75 282 202 A 18 VAL H A 17 VAL HG2% 1.0 . 4.12 283 202 A 18 VAL H A 17 VAL HG1% 1.0 . 4.12 284 203 A 48 GLY H A 47 LEU HD2% 1.0 . 4.55 285 203 A 48 GLY H A 47 LEU HD1% 1.0 . 4.55 286 204 A 57 THR H A 56 GLU HB2 1.0 . 3.38 287 204 A 56 GLU HB3 A 57 THR H 1.0 . 3.38 288 205 A 59 LYS H A 58 PHE HBx 1.0 . 3.61 289 205 A 59 LYS H A 58 PHE HBy 1.0 . 3.61 290 206 A 59 LYS H A 59 LYS HGx 1.0 . 4.40 291 206 A 59 LYS H A 59 LYS HGy 1.0 . 4.40 292 207 A 83 GLU H A 82 PRO HD3 1.0 . 4.05 293 207 A 82 PRO HD2 A 83 GLU H 1.0 . 4.05 294 208 A 92 SER H A 91 LEU HDx% 1.0 . 4.00 295 208 A 92 SER H A 91 LEU HD21 1.0 . 4.00 296 209 A 118 GLN H A 118 GLN HGx 1.0 . 4.33 297 209 A 118 GLN H A 118 GLN HGy 1.0 . 4.33 298 210 A 47 LEU H A 46 THR HB 1.0 . 4.08 299 211 A 17 VAL HA A 20 ALA H 1.0 . 3.91 300 212 A 17 VAL HB A 14 PRO HA 1.0 . 4.88 301 213 A 22 PHE HA A 25 LEU HBy 1.0 . 4.65 302 214 A 95 ALA H A 92 SER HA 1.0 . 4.14 303 215 A 58 PHE HA A 61 GLU HB2 1.0 . 4.73 304 216 A 118 GLN HA A 121 LYS HBx 1.0 . 4.66 305 216 A 118 GLN HA A 121 LYS HBy 1.0 . 4.66 306 217 A 59 LYS H A 56 GLU HA 1.0 . 5.26 307 218 A 53 ALA H A 54 LYS HA 1.0 . 5.50 308 219 A 122 ASP HA A 125 GLU HBx 1.0 . 3.73 309 219 A 122 ASP HA A 125 GLU HBy 1.0 . 3.73 310 220 A 105 LYS H A 102 GLY HAx 1.0 . 5.50 311 221 A 41 ASP H A 40 LEU HB3 1.0 . 4.11 312 222 A 41 ASP H A 40 LEU HB2 1.0 . 4.11 313 223 A 25 LEU HBy A 26 LYS H 1.0 . 3.49 314 224 A 94 ILE HB A 91 LEU HA 1.0 . 4.42 315 225 A 3 THR H A 2 ASP HBx 1.0 . 4.20 316 225 A 2 ASP HBy A 3 THR H 1.0 . 4.20 317 226 A 44 VAL H A 43 TRP HB2 1.0 . 4.42 318 227 A 33 ASP HA A 36 ILE HB 1.0 . 3.62 319 228 A 119 SER H A 118 GLN HBx 1.0 . 5.50 320 229 A 60 LYS H A 59 LYS HBy 1.0 . 5.50 321 230 A 60 LYS HA A 60 LYS HDx 1.0 . 4.19 322 230 A 60 LYS HA A 60 LYS HDy 1.0 . 4.19 323 231 A 122 ASP HA A 125 GLU HGx 1.0 . 4.69 324 231 A 122 ASP HA A 125 GLU HGy 1.0 . 4.69 325 232 A 81 THR H A 82 PRO HD3 1.0 . 5.50 326 233 A 43 TRP HH2 A 47 LEU HBy 1.0 . 5.50 327 234 A 113 TYR HA A 113 TYR HD% 1.0 . 3.90 328 235 A 63 LYS HBx A 63 LYS HEx 1.0 . 3.19 329 235 A 63 LYS HBy A 63 LYS HEx 1.0 . 3.19 330 235 A 63 LYS HEy A 63 LYS HBx 1.0 . 3.19 331 235 A 63 LYS HBy A 63 LYS HEy 1.0 . 3.19 332 236 A 120 VAL HA A 123 GLU HGy 1.0 . 4.11 333 237 A 112 ILE H A 112 ILE HG1y 1.0 . 4.17 334 238 A 24 LEU H A 24 LEU HG 1.0 . 4.74 335 239 A 54 LYS HA A 53 ALA HB% 1.0 . 5.25 336 240 A 25 LEU HA A 36 ILE HG2% 1.0 . 6.52 337 241 A 94 ILE HD1% A 95 ALA HA 1.0 . 5.27 338 242 A 100 LEU HDx% A 97 ASP HBy 1.0 . 5.11 339 243 A 113 TYR HA A 112 ILE HD1% 1.0 . 6.52 340 244 A 103 ILE HD1% A 109 ILE HG12 1.0 . 5.76 341 244 A 109 ILE HG13 A 103 ILE HD1% 1.0 . 5.76 342 245 A 97 ASP HBx A 100 LEU HDy% 1.0 . 5.11 343 246 A 97 ASP HBx A 100 LEU HDx% 1.0 . 5.11 344 247 A 25 LEU HA A 25 LEU HDx% 1.0 . 3.87 345 248 A 86 LYS HA A 89 ALA HB% 1.0 . 4.26 346 249 A 115 THR HG2% A 116 LEU H 1.0 . 4.70 347 250 A 21 PHE HD% A 40 LEU HD2% 1.0 . 4.10 348 250 A 21 PHE HD% A 40 LEU HD1% 1.0 . 4.10 349 251 A 24 LEU H A 24 LEU HDy% 1.0 . 4.01 350 251 A 24 LEU H A 24 LEU HDx% 1.0 . 4.01 351 252 A 29 GLU HA A 29 GLU HBx 1.0 . 2.56 352 252 A 29 GLU HA A 29 GLU HBy 1.0 . 2.56 353 253 A 39 ASP H A 39 ASP HBy 1.0 . 3.06 354 253 A 39 ASP H A 39 ASP HBx 1.0 . 3.06 355 254 A 44 VAL HG1% A 47 LEU HD2% 1.0 . 4.17 356 254 A 44 VAL HG2% A 47 LEU HD2% 1.0 . 4.17 357 254 A 47 LEU HD1% A 44 VAL HG2% 1.0 . 4.17 358 254 A 44 VAL HG1% A 47 LEU HD1% 1.0 . 4.17 359 255 A 46 THR H A 47 LEU HD2% 1.0 . 5.22 360 255 A 46 THR H A 47 LEU HD1% 1.0 . 5.22 361 256 A 72 ALA HA A 75 GLU HBx 1.0 . 4.82 362 256 A 72 ALA HA A 75 GLU HBy 1.0 . 4.82 363 257 A 93 LYS H A 92 SER HBy 1.0 . 3.58 364 257 A 93 LYS H A 92 SER HBx 1.0 . 3.58 365 258 A 98 ASP HA A 99 SER HBy 1.0 . 5.23 366 258 A 99 SER HBx A 98 ASP HA 1.0 . 5.23 367 259 A 113 TYR HA A 116 LEU HDy% 1.0 . 4.49 368 259 A 113 TYR HA A 116 LEU HDx% 1.0 . 4.49 369 260 A 118 GLN HA A 122 ASP HBy 1.0 . 5.34 370 260 A 118 GLN HA A 122 ASP HBx 1.0 . 5.34 371 261 A 120 VAL HA A 123 GLU HB2 1.0 . 3.39 372 261 A 120 VAL HA A 123 GLU HB3 1.0 . 3.39 373 262 A 121 LYS H A 120 VAL HG2% 1.0 . 3.55 374 262 A 121 LYS H A 120 VAL HG1% 1.0 . 3.55 375 263 A 129 GLY H A 130 PRO HDx 1.0 . 2.99 376 263 A 129 GLY H A 130 PRO HDy 1.0 . 2.99 377 264 A 132 VAL HGx% A 133 PRO HDy 1.0 . 4.19 378 264 A 132 VAL HGy% A 133 PRO HDy 1.0 . 4.19 379 264 A 133 PRO HDx A 132 VAL HGy% 1.0 . 4.19 380 264 A 132 VAL HGx% A 133 PRO HDx 1.0 . 4.19 381 265 A 88 ASP H A 89 ALA H 1.0 . 3.91 382 266 A 85 LYS H A 84 ALA H 1.0 . 3.58 383 267 A 86 LYS H A 85 LYS H 1.0 . 3.57 384 268 A 35 GLU H A 36 ILE H 1.0 . 3.88 385 269 A 56 GLU H A 57 THR H 1.0 . 3.26 386 270 A 110 GLN H A 111 ALA H 1.0 . 3.05 387 271 A 77 VAL H A 76 ALA H 1.0 . 3.10 388 272 A 121 LYS H A 120 VAL H 1.0 . 4.01 389 273 A 86 LYS H A 87 ALA H 1.0 . 3.55 390 274 A 112 ILE H A 113 TYR H 1.0 . 3.74 391 275 A 20 ALA H A 16 ASP HA 1.0 . 5.05 392 276 A 74 GLU H A 71 LYS HA 1.0 . 4.51 393 277 A 56 GLU H A 54 LYS HA 1.0 . 5.10 394 278 A 58 PHE H A 55 PHE HA 1.0 . 3.68 395 279 A 52 LYS H A 51 TYR HBx 1.0 . 5.50 396 280 A 23 GLU H A 22 PHE HB2 1.0 . 3.32 397 281 A 89 ALA H A 88 ASP HBx 1.0 . 3.54 398 281 A 88 ASP HBy A 89 ALA H 1.0 . 3.54 399 282 A 19 LYS H A 18 VAL HB 1.0 . 3.56 400 283 A 109 ILE H A 109 ILE HB 1.0 . 3.19 401 284 A 119 SER H A 118 GLN H 1.0 . 3.52 402 285 A 25 LEU H A 24 LEU H 1.0 . 3.05 403 286 A 19 LYS H A 17 VAL H 1.0 . 4.09 404 287 A 39 ASP H A 38 LYS HBy 1.0 . 3.67 405 288 A 39 ASP H A 38 LYS HBx 1.0 . 3.67 406 289 A 93 LYS H A 92 SER H 1.0 . 3.56 407 290 A 47 LEU H A 44 VAL H 1.0 . 4.88 408 291 A 45 ASP H A 44 VAL H 1.0 . 2.89 409 292 A 52 LYS H A 51 TYR HBy 1.0 . 5.50 410 293 A 38 LYS HA A 41 ASP H 1.0 . 3.74 411 294 A 29 GLU H A 30 THR H 1.0 . 3.52 412 295 A 94 ILE H A 93 LYS HBx 1.0 . 5.98 413 295 A 93 LYS HBy A 94 ILE H 1.0 . 5.98 414 296 A 46 THR H A 45 ASP HBx 1.0 . 4.29 415 297 A 53 ALA H A 52 LYS H 1.0 . 3.51 416 298 A 88 ASP H A 90 GLU H 1.0 . 5.02 417 299 A 73 HIS HA A 76 ALA H 1.0 . 3.76 418 300 A 131 ALA H A 132 VAL H 1.0 . 3.83 419 301 A 63 LYS HA A 66 GLU H 1.0 . 3.78 420 302 A 58 PHE H A 57 THR H 1.0 . 3.43 421 303 A 21 PHE H A 21 PHE HE% 1.0 . 7.63 422 304 A 51 TYR H A 51 TYR HE% 1.0 . 4.94 423 305 A 33 ASP H A 34 PRO HD3 1.0 . 4.73 424 306 A 118 GLN HA A 118 GLN HE2x 1.0 . 5.50 425 307 A 66 GLU H A 66 GLU HGx 1.0 . 3.79 426 307 A 66 GLU H A 66 GLU HGy 1.0 . 3.79 427 308 A 52 LYS H A 52 LYS HDx 1.0 . 3.94 428 308 A 52 LYS HDy A 52 LYS H 1.0 . 3.94 429 309 A 54 LYS H A 54 LYS HDx 1.0 . 4.00 430 310 A 24 LEU H A 23 GLU HGy 1.0 . 4.95 431 310 A 24 LEU H A 23 GLU HGx 1.0 . 4.95 432 311 A 26 LYS H A 26 LYS HGx 1.0 . 3.29 433 311 A 26 LYS H A 26 LYS HGy 1.0 . 3.29 434 312 A 114 LYS H A 114 LYS HGx 1.0 . 3.37 435 312 A 114 LYS H A 114 LYS HGy 1.0 . 3.37 436 313 A 76 ALA H A 75 GLU HGx 1.0 . 5.50 437 313 A 76 ALA H A 75 GLU HGy 1.0 . 5.50 438 314 A 61 GLU H A 61 GLU HG2 1.0 . 3.95 439 314 A 61 GLU H A 61 GLU HG3 1.0 . 3.95 440 315 A 12 GLY H A 11 ALA HB% 1.0 . 3.76 441 316 A 46 THR H A 46 THR HG2% 1.0 . 3.77 442 317 A 57 THR HG2% A 57 THR H 1.0 . 3.23 443 318 A 120 VAL H A 120 VAL HG2% 1.0 . 4.28 444 319 A 129 GLY H A 128 ILE HG2% 1.0 . 4.22 445 320 A 112 ILE HD1% A 116 LEU H 1.0 . 6.52 446 321 A 45 ASP H A 44 VAL HG1% 1.0 . 5.50 447 322 A 24 LEU H A 24 LEU HDy% 1.0 . 4.75 448 323 A 104 GLN H A 103 ILE HG2% 1.0 . 3.44 449 324 A 19 LYS H A 18 VAL HGx% 1.0 . 5.50 450 325 A 67 ALA HB% A 68 GLU H 1.0 . 3.36 451 326 A 70 ALA HB% A 71 LYS H 1.0 . 2.70 452 327 A 132 VAL H A 132 VAL HGy% 1.0 . 4.40 453 328 A 16 ASP H A 15 GLN HBx 1.0 . 4.34 454 328 A 16 ASP H A 15 GLN HBy 1.0 . 4.34 455 329 A 16 ASP H A 17 VAL HG2% 1.0 . 4.80 456 329 A 16 ASP H A 17 VAL HG1% 1.0 . 4.80 457 330 A 28 ASP H A 25 LEU HDy% 1.0 . 6.42 458 330 A 28 ASP H A 25 LEU HDx% 1.0 . 6.42 459 331 A 45 ASP H A 43 TRP HB2 1.0 . 5.34 460 331 A 45 ASP H A 43 TRP HB3 1.0 . 5.34 461 332 A 44 VAL H A 47 LEU HBx 1.0 . 5.34 462 332 A 44 VAL H A 47 LEU HBy 1.0 . 5.34 463 333 A 44 VAL H A 47 LEU HD2% 1.0 . 5.44 464 333 A 44 VAL H A 47 LEU HD1% 1.0 . 5.44 465 334 A 45 ASP H A 45 ASP HBy 1.0 . 2.47 466 334 A 45 ASP H A 45 ASP HBx 1.0 . 2.47 467 335 A 69 LEU H A 69 LEU HB2 1.0 . 3.33 468 335 A 69 LEU H A 69 LEU HB3 1.0 . 3.33 469 336 A 74 GLU H A 73 HIS HBy 1.0 . 3.49 470 336 A 74 GLU H A 73 HIS HBx 1.0 . 3.49 471 337 A 111 ALA H A 83 GLU HBx 1.0 . 5.34 472 337 A 111 ALA H A 83 GLU HBy 1.0 . 5.34 473 338 A 84 ALA H A 83 GLU HGy 1.0 . 5.34 474 338 A 84 ALA H A 83 GLU HGx 1.0 . 5.34 475 339 A 109 ILE HA A 112 ILE HD1% 1.0 . 3.90 476 340 A 115 THR HG2% A 112 ILE HA 1.0 . 4.30 477 341 A 50 ASP HA A 53 ALA HB% 1.0 . 4.33 478 342 A 33 ASP HA A 36 ILE HD1% 1.0 . 3.38 479 343 A 32 THR HB A 33 ASP H 1.0 . 4.23 480 344 A 18 VAL HA A 8 PRO HGx 1.0 . 5.08 481 344 A 8 PRO HGy A 18 VAL HA 1.0 . 5.08 482 345 A 18 VAL HA A 18 VAL HGx% 1.0 . 4.05 483 346 A 77 VAL HGx% A 77 VAL HA 1.0 . 3.38 484 347 A 112 ILE HA A 115 THR HB 1.0 . 4.51 485 348 A 115 THR H A 112 ILE HA 1.0 . 4.87 486 349 A 51 TYR HA A 54 LYS HBx 1.0 . 4.30 487 350 A 93 LYS H A 92 SER HBx 1.0 . 4.17 488 351 A 114 LYS H A 115 THR HA 1.0 . 5.16 489 352 A 120 VAL HG1% A 121 LYS HA 1.0 . 4.11 490 353 A 85 LYS HA A 88 ASP HBx 1.0 . 4.36 491 353 A 88 ASP HBy A 85 LYS HA 1.0 . 4.36 492 354 A 60 LYS HA A 60 LYS HGx 1.0 . 3.59 493 354 A 60 LYS HGy A 60 LYS HA 1.0 . 3.59 494 355 A 58 PHE H A 54 LYS HA 1.0 . 5.50 495 356 A 25 LEU HA A 25 LEU HDy% 1.0 . 3.87 496 357 A 48 GLY H A 49 GLY HAx 1.0 . 5.50 497 358 A 48 GLY H A 49 GLY HAy 1.0 . 5.50 498 359 A 95 ALA HA A 94 ILE HG2% 1.0 . 5.13 499 360 A 59 LYS HA A 63 LYS H 1.0 . 5.50 500 361 A 20 ALA HB% A 21 PHE HA 1.0 . 4.14 501 362 A 21 PHE HA A 24 LEU HBx 1.0 . 4.10 502 363 A 91 LEU H A 87 ALA HA 1.0 . 4.94 503 364 A 31 LYS HA A 32 THR H 1.0 . 3.52 504 365 A 122 ASP HA A 121 LYS HBx 1.0 . 4.58 505 365 A 121 LYS HBy A 122 ASP HA 1.0 . 4.58 506 366 A 13 ALA HA A 14 PRO HD3 1.0 . 3.48 507 367 A 44 VAL HA A 47 LEU HBx 1.0 . 4.33 508 368 A 37 GLU HA A 40 LEU HB3 1.0 . 4.22 509 369 A 37 GLU HA A 40 LEU HB2 1.0 . 4.22 510 370 A 69 LEU HDy% A 69 LEU HB2 1.0 . 4.07 511 370 A 69 LEU HB2 A 69 LEU HDx% 1.0 . 4.07 512 371 A 21 PHE HA A 24 LEU HBy 1.0 . 4.10 513 372 A 56 GLU H A 55 PHE HBy 1.0 . 4.75 514 373 A 52 LYS HGy A 50 ASP HBx 1.0 . 5.50 515 373 A 50 ASP HBx A 52 LYS HGx 1.0 . 5.50 516 374 A 50 ASP H A 50 ASP HBy 1.0 . 4.05 517 375 A 9 PHE HBy A 40 LEU HB3 1.0 . 4.90 518 376 A 40 LEU HB3 A 9 PHE HBx 1.0 . 4.90 519 377 A 21 PHE HBy A 22 PHE H 1.0 . 4.24 520 378 A 40 LEU H A 39 ASP HBy 1.0 . 4.47 521 379 A 24 LEU HDy% A 43 TRP HB2 1.0 . 5.50 522 380 A 24 LEU HDx% A 43 TRP HB3 1.0 . 5.50 523 381 A 24 LEU HDx% A 43 TRP HB2 1.0 . 5.50 524 382 A 22 PHE H A 22 PHE HB2 1.0 . 3.91 525 383 A 114 LYS H A 113 TYR HBx 1.0 . 3.51 526 383 A 113 TYR HBy A 114 LYS H 1.0 . 3.51 527 384 A 109 ILE HG2% A 113 TYR HBx 1.0 . 3.61 528 384 A 113 TYR HBy A 109 ILE HG2% 1.0 . 3.61 529 385 A 19 LYS HA A 22 PHE HD% 1.0 . 3.28 530 386 A 26 LYS HA A 26 LYS HBx 1.0 . 2.55 531 386 A 26 LYS HA A 26 LYS HBy 1.0 . 2.55 532 387 A 35 GLU HA A 35 GLU HBx 1.0 . 2.94 533 387 A 35 GLU HBy A 35 GLU HA 1.0 . 2.94 534 388 A 37 GLU HA A 37 GLU HGx 1.0 . 3.72 535 388 A 37 GLU HGy A 37 GLU HA 1.0 . 3.72 536 389 A 41 ASP HA A 44 VAL HB 1.0 . 3.23 537 390 A 80 MET HA A 80 MET HE% 1.0 . 3.62 538 391 A 83 GLU HA A 83 GLU HBx 1.0 . 2.64 539 392 A 92 SER H A 89 ALA HA 1.0 . 3.96 540 393 A 86 LYS H A 86 LYS HA 1.0 . 2.92 541 394 A 86 LYS HA A 86 LYS HBx 1.0 . 2.40 542 394 A 86 LYS HBy A 86 LYS HA 1.0 . 2.40 543 395 A 124 LEU HA A 124 LEU HDx% 1.0 . 3.48 544 395 A 124 LEU HDy% A 124 LEU HA 1.0 . 3.48 545 396 A 132 VAL H A 131 ALA HB% 1.0 . 4.16 546 397 A 77 VAL HA A 80 MET HE% 1.0 . 3.57 547 398 A 102 GLY H A 101 ASN HBy 1.0 . 4.24 548 399 A 101 ASN HBx A 102 GLY H 1.0 . 4.24 549 400 A 123 GLU H A 123 GLU HGy 1.0 . 4.15 550 401 A 83 GLU HA A 83 GLU HGx 1.0 . 4.12 551 402 A 53 ALA HB% A 56 GLU HGx 1.0 . 3.80 552 402 A 56 GLU HGy A 53 ALA HB% 1.0 . 3.80 553 403 A 110 GLN HA A 110 GLN HGx 1.0 . 2.72 554 403 A 110 GLN HA A 110 GLN HGy 1.0 . 2.72 555 404 A 103 ILE HG2% A 104 GLN HG2 1.0 . 3.98 556 404 A 103 ILE HG2% A 104 GLN HG3 1.0 . 3.98 557 405 A 51 TYR HA A 54 LYS HBy 1.0 . 4.30 558 406 A 120 VAL H A 120 VAL HB 1.0 . 4.17 559 407 A 109 ILE HG2% A 109 ILE HG12 1.0 . 2.55 560 407 A 109 ILE HG13 A 109 ILE HG2% 1.0 . 2.55 561 408 A 56 GLU HA A 56 GLU HGx 1.0 . 3.88 562 408 A 56 GLU HA A 56 GLU HGy 1.0 . 3.88 563 409 A 67 ALA HB% A 96 GLU HA 1.0 . 3.63 564 410 A 132 VAL H A 133 PRO HA 1.0 . 5.50 565 411 A 92 SER HBx A 89 ALA HA 1.0 . 3.93 566 412 A 9 PHE HA A 40 LEU HB3 1.0 . 5.50 567 413 A 83 GLU H A 83 GLU HBy 1.0 . 4.05 568 414 A 125 GLU H A 125 GLU HBx 1.0 . 2.58 569 414 A 125 GLU H A 125 GLU HBy 1.0 . 2.58 570 415 A 43 TRP HH2 A 47 LEU HD2% 1.0 . 5.27 571 416 A 43 TRP HZ2 A 47 LEU HD1% 1.0 . 5.07 572 417 A 43 TRP HH2 A 47 LEU HD1% 1.0 . 5.27 573 418 A 109 ILE H A 112 ILE HD1% 1.0 . 4.99 574 419 A 25 LEU HA A 24 LEU HG 1.0 . 5.19 575 420 A 105 LYS HGx A 105 LYS HA 1.0 . 4.01 576 421 A 40 LEU HA A 40 LEU HD2% 1.0 . 4.01 577 422 A 17 VAL HA A 17 VAL HG2% 1.0 . 3.39 578 423 A 3 THR HG2% A 3 THR HA 1.0 . 4.21 579 424 A 112 ILE HD1% A 112 ILE HA 1.0 . 4.38 580 425 A 52 LYS HGy A 50 ASP HBy 1.0 . 5.50 581 425 A 50 ASP HBy A 52 LYS HGx 1.0 . 5.50 582 426 A 124 LEU HDy% A 123 GLU HGx 1.0 . 4.26 583 426 A 123 GLU HGx A 124 LEU HDx% 1.0 . 4.26 584 427 A 44 VAL HA A 44 VAL HG2% 1.0 . 3.78 585 428 A 44 VAL HA A 44 VAL HG1% 1.0 . 3.78 586 429 A 44 VAL HA A 47 LEU HD1% 1.0 . 4.77 587 430 A 11 ALA HB% A 8 PRO HGx 1.0 . 4.15 588 430 A 8 PRO HGy A 11 ALA HB% 1.0 . 4.15 589 431 A 20 ALA HB% A 17 VAL HG2% 1.0 . 5.50 590 432 A 67 ALA HB% A 96 GLU HGx 1.0 . 3.53 591 432 A 96 GLU HGy A 67 ALA HB% 1.0 . 3.53 592 433 A 29 GLU H A 29 GLU HBx 1.0 . 4.00 593 434 A 47 LEU HA A 47 LEU HD2% 1.0 . 4.93 594 435 A 56 GLU HA A 59 LYS HBx 1.0 . 4.33 595 436 A 103 ILE HD1% A 103 ILE HB 1.0 . 3.65 596 437 A 105 LYS HA A 105 LYS HGy 1.0 . 4.01 597 438 A 108 LYS HA A 108 LYS HBx 1.0 . 2.76 598 438 A 108 LYS HA A 108 LYS HBy 1.0 . 2.76 599 439 A 112 ILE HB A 112 ILE HD1% 1.0 . 2.79 600 440 A 112 ILE H A 112 ILE HD1% 1.0 . 4.92 601 441 A 132 VAL HGx% A 132 VAL HA 1.0 . 4.14 602 442 A 103 ILE HD1% A 90 GLU HGx 1.0 . 4.90 603 442 A 103 ILE HD1% A 90 GLU HGy 1.0 . 4.90 604 443 A 103 ILE HD1% A 104 GLN HG2 1.0 . 5.50 605 443 A 103 ILE HD1% A 104 GLN HG3 1.0 . 5.50 606 444 A 112 ILE HA A 112 ILE HG1x 1.0 . 4.16 607 445 A 114 LYS HA A 114 LYS HBx 1.0 . 2.93 608 445 A 114 LYS HA A 114 LYS HBy 1.0 . 2.93 609 446 A 51 TYR HA A 54 LYS H 1.0 . 5.08 610 447 A 66 GLU H A 65 LYS H 1.0 . 2.74 611 448 A 112 ILE H A 110 GLN H 1.0 . 4.63 612 449 A 60 LYS H A 61 GLU H 1.0 . 2.95 613 450 A 63 LYS H A 62 MET H 1.0 . 2.89 614 451 A 28 ASP H A 29 GLU H 1.0 . 3.75 615 452 A 28 ASP H A 27 LYS H 1.0 . 2.76 616 453 A 21 PHE H A 24 LEU H 1.0 . 4.97 617 454 A 104 GLN H A 103 ILE H 1.0 . 3.90 618 455 A 21 PHE H A 19 LYS H 1.0 . 5.50 619 456 A 88 ASP H A 87 ALA H 1.0 . 4.12 620 457 A 122 ASP H A 123 GLU H 1.0 . 3.62 621 458 A 25 LEU H A 26 LYS H 1.0 . 3.18 622 459 A 59 LYS H A 58 PHE HD% 1.0 . 4.31 623 460 A 100 LEU H A 99 SER H 1.0 . 4.02 624 461 A 9 PHE H A 9 PHE HD% 1.0 . 4.15 625 462 A 107 GLN HA A 108 LYS H 1.0 . 3.56 626 463 A 14 PRO HA A 15 GLN H 1.0 . 3.18 627 464 A 88 ASP H A 86 LYS HA 1.0 . 5.13 628 465 A 99 SER H A 97 ASP HA 1.0 . 4.06 629 466 A 83 GLU HA A 86 LYS H 1.0 . 3.80 630 467 A 3 THR HB A 3 THR H 1.0 . 4.14 631 468 A 50 ASP H A 49 GLY HAx 1.0 . 3.50 632 469 A 125 GLU HA A 125 GLU H 1.0 . 2.83 633 470 A 44 VAL H A 43 TRP HB3 1.0 . 4.42 634 471 A 55 PHE H A 55 PHE HBy 1.0 . 3.75 635 472 A 97 ASP H A 97 ASP HBy 1.0 . 3.97 636 473 A 41 ASP H A 41 ASP HB3 1.0 . 4.06 637 474 A 97 ASP HBx A 97 ASP H 1.0 . 3.97 638 475 A 98 ASP H A 98 ASP HBx 1.0 . 3.93 639 476 A 25 LEU H A 21 PHE HA 1.0 . 5.50 640 477 A 50 ASP H A 50 ASP HBx 1.0 . 4.05 641 478 A 23 GLU H A 23 GLU HGy 1.0 . 4.02 642 478 A 23 GLU H A 23 GLU HGx 1.0 . 4.02 643 479 A 90 GLU HBy A 90 GLU H 1.0 . 4.04 644 480 A 123 GLU H A 123 GLU HGx 1.0 . 4.15 645 481 A 55 PHE H A 54 LYS HBy 1.0 . 4.19 646 482 A 17 VAL HB A 18 VAL H 1.0 . 3.50 647 483 A 18 VAL H A 18 VAL HB 1.0 . 3.70 648 484 A 110 GLN H A 110 GLN HBx 1.0 . 3.28 649 484 A 110 GLN H A 110 GLN HBy 1.0 . 3.28 650 485 A 15 GLN H A 14 PRO HBx 1.0 . 4.07 651 486 A 118 GLN H A 118 GLN HBx 1.0 . 3.70 652 487 A 40 LEU H A 40 LEU HB3 1.0 . 3.92 653 488 A 55 PHE H A 54 LYS HBx 1.0 . 4.19 654 489 A 115 THR H A 114 LYS HBx 1.0 . 4.26 655 489 A 115 THR H A 114 LYS HBy 1.0 . 4.26 656 490 A 65 LYS H A 65 LYS HBx 1.0 . 3.19 657 490 A 65 LYS H A 65 LYS HBy 1.0 . 3.19 658 491 A 85 LYS H A 85 LYS HBx 1.0 . 2.81 659 491 A 85 LYS HBy A 85 LYS H 1.0 . 2.81 660 492 A 110 GLN H A 109 ILE HB 1.0 . 3.60 661 493 A 124 LEU H A 124 LEU HB3 1.0 . 3.77 662 494 A 19 LYS H A 19 LYS HBx 1.0 . 3.15 663 494 A 19 LYS H A 19 LYS HBy 1.0 . 3.15 664 495 A 47 LEU H A 47 LEU HBy 1.0 . 4.11 665 496 A 93 LYS H A 93 LYS HGx 1.0 . 4.16 666 496 A 93 LYS H A 93 LYS HGy 1.0 . 4.16 667 497 A 10 LEU H A 10 LEU HBy 1.0 . 4.10 668 498 A 24 LEU HBy A 24 LEU H 1.0 . 3.46 669 499 A 121 LYS H A 121 LYS HDx 1.0 . 4.59 670 499 A 121 LYS H A 121 LYS HDy 1.0 . 4.59 671 500 A 48 GLY H A 47 LEU HBx 1.0 . 4.72 672 501 A 24 LEU H A 24 LEU HBx 1.0 . 3.46 673 502 A 18 VAL H A 18 VAL HGx% 1.0 . 4.63 674 503 A 132 VAL HGx% A 132 VAL H 1.0 . 4.40 675 504 A 128 ILE H A 128 ILE HG2% 1.0 . 4.46 676 505 A 112 ILE H A 112 ILE HG2% 1.0 . 4.18 677 506 A 45 ASP H A 44 VAL HG2% 1.0 . 5.50 678 507 A 25 LEU HDx% A 25 LEU H 1.0 . 4.23 679 508 A 10 LEU H A 10 LEU HDx% 1.0 . 4.17 680 509 A 47 LEU H A 47 LEU HD2% 1.0 . 4.38 681 510 A 76 ALA HA A 78 ALA H 1.0 . 4.95 682 511 A 24 LEU H A 23 GLU HBx 1.0 . 4.44 683 512 A 70 ALA H A 66 GLU HA 1.0 . 4.14 684 513 A 17 VAL H A 15 GLN H 1.0 . 4.75 685 514 A 18 VAL H A 15 GLN H 1.0 . 5.47 686 515 A 15 GLN HBy A 15 GLN H 1.0 . 3.67 687 516 A 49 GLY HAy A 50 ASP H 1.0 . 3.50 688 517 A 43 TRP H A 42 ALA HB% 1.0 . 4.10 689 518 A 87 ALA H A 86 LYS HBx 1.0 . 3.00 690 518 A 86 LYS HBy A 87 ALA H 1.0 . 3.00 691 519 A 100 LEU H A 99 SER HA 1.0 . 3.34 692 520 A 100 LEU H A 100 LEU HDx% 1.0 . 4.10 693 521 A 20 ALA HB% A 20 ALA H 1.0 . 2.49 694 522 A 61 GLU HA A 61 GLU H 1.0 . 2.90 695 523 A 63 LYS H A 63 LYS HBx 1.0 . 3.43 696 523 A 63 LYS HBy A 63 LYS H 1.0 . 3.43 697 524 A 43 TRP H A 43 TRP HB2 1.0 . 3.98 698 525 A 47 LEU H A 46 THR HA 1.0 . 3.31 699 526 A 38 LYS H A 38 LYS HBx 1.0 . 4.13 700 527 A 45 ASP H A 45 ASP HBx 1.0 . 2.93 701 528 A 26 LYS H A 22 PHE HD% 1.0 . 4.29 702 529 A 10 LEU H A 8 PRO HA 1.0 . 4.20 703 530 A 112 ILE H A 111 ALA H 1.0 . 2.96 704 531 A 94 ILE H A 93 LYS HGx 1.0 . 4.98 705 531 A 94 ILE H A 93 LYS HGy 1.0 . 4.98 706 532 A 94 ILE H A 94 ILE HB 1.0 . 3.60 707 533 A 51 TYR H A 51 TYR HBy 1.0 . 3.87 708 534 A 28 ASP H A 25 LEU HDy% 1.0 . 5.50 709 535 A 114 LYS H A 113 TYR HD% 1.0 . 3.74 710 536 A 9 PHE H A 8 PRO HGx 1.0 . 5.50 711 536 A 8 PRO HGy A 9 PHE H 1.0 . 5.50 712 537 A 51 TYR H A 49 GLY H 1.0 . 5.50 713 538 A 95 ALA HB% A 92 SER H 1.0 . 5.50 714 539 A 17 VAL HA A 19 LYS H 1.0 . 4.29 715 540 A 122 ASP H A 122 ASP HBx 1.0 . 3.99 716 541 A 66 GLU H A 66 GLU HBx 1.0 . 2.96 717 541 A 66 GLU HBy A 66 GLU H 1.0 . 2.96 718 542 A 128 ILE H A 128 ILE HG1y 1.0 . 4.27 719 543 A 90 GLU H A 87 ALA HA 1.0 . 4.35 720 544 A 90 GLU H A 89 ALA HB% 1.0 . 3.81 721 545 A 132 VAL H A 132 VAL HB 1.0 . 2.95 722 546 A 121 LYS H A 121 LYS HBx 1.0 . 3.09 723 546 A 121 LYS H A 121 LYS HBy 1.0 . 3.09 724 547 A 95 ALA H A 95 ALA HB% 1.0 . 2.96 725 548 A 121 LYS H A 120 VAL HG1% 1.0 . 3.89 726 549 A 16 ASP H A 14 PRO HA 1.0 . 5.20 727 550 A 16 ASP H A 16 ASP HBy 1.0 . 3.83 728 551 A 62 MET HA A 64 ALA H 1.0 . 3.98 729 552 A 31 LYS H A 30 THR HA 1.0 . 3.46 730 553 A 36 ILE HG2% A 36 ILE H 1.0 . 4.58 731 554 A 42 ALA H A 41 ASP HB3 1.0 . 3.89 732 555 A 42 ALA H A 41 ASP H 1.0 . 2.88 733 556 A 53 ALA H A 52 LYS HGx 1.0 . 2.49 734 556 A 53 ALA H A 52 LYS HGy 1.0 . 2.49 735 557 A 53 ALA H A 53 ALA HB% 1.0 . 2.78 736 558 A 61 GLU H A 60 LYS HA 1.0 . 3.56 737 559 A 85 LYS H A 85 LYS HA 1.0 . 2.93 738 560 A 90 GLU HA A 93 LYS H 1.0 . 3.87 739 561 A 113 TYR H A 109 ILE HB 1.0 . 5.50 740 562 A 125 GLU H A 122 ASP HA 1.0 . 5.18 741 563 A 124 LEU HG A 127 GLY H 1.0 . 5.50 742 564 A 128 ILE HG2% A 127 GLY H 1.0 . 5.15 743 565 A 132 VAL H A 131 ALA HA 1.0 . 2.40 744 566 A 76 ALA HB% A 76 ALA H 1.0 . 2.68 745 567 A 104 GLN HE22 A 104 GLN HG2 1.0 . 3.41 746 567 A 104 GLN HG3 A 104 GLN HE22 1.0 . 3.41 747 568 A 73 HIS H A 73 HIS HBx 1.0 . 3.93 748 569 A 25 LEU H A 25 LEU HBx 1.0 . 3.91 749 570 A 74 GLU H A 73 HIS H 1.0 . 3.79 750 571 A 74 GLU H A 75 GLU H 1.0 . 3.63 751 572 A 73 HIS H A 72 ALA H 1.0 . 3.48 752 573 A 63 LYS H A 62 MET HBy 1.0 . 3.66 753 574 A 60 LYS H A 63 LYS H 1.0 . 4.81 754 575 A 131 ALA H A 130 PRO HA 1.0 . 3.55 755 576 A 105 LYS H A 103 ILE HG2% 1.0 . 5.50 756 577 A 65 LYS H A 62 MET HA 1.0 . 3.63 757 578 A 56 GLU H A 55 PHE HD% 1.0 . 4.85 758 579 A 18 VAL H A 18 VAL HGy% 1.0 . 4.63 759 580 A 57 THR H A 54 LYS HA 1.0 . 4.88 760 581 A 57 THR HG2% A 57 THR HA 1.0 . 3.60 761 582 A 36 ILE HA A 36 ILE HG2% 1.0 . 3.69 762 583 A 36 ILE HA A 39 ASP HBy 1.0 . 4.79 763 584 A 44 VAL HA A 47 LEU HBy 1.0 . 4.33 764 585 A 77 VAL HA A 79 LYS HGx 1.0 . 4.53 765 585 A 77 VAL HA A 79 LYS HGy 1.0 . 4.53 766 586 A 103 ILE HA A 103 ILE HG2% 1.0 . 3.29 767 587 A 112 ILE HA A 112 ILE HG1y 1.0 . 4.16 768 588 A 94 ILE HA A 94 ILE HG2% 1.0 . 3.53 769 589 A 22 PHE HA A 25 LEU HDx% 1.0 . 5.50 770 590 A 22 PHE HA A 25 LEU HDy% 1.0 . 5.50 771 591 A 15 GLN HA A 14 PRO HA 1.0 . 4.35 772 592 A 58 PHE HD% A 58 PHE HA 1.0 . 3.95 773 593 A 9 PHE HA A 9 PHE HD% 1.0 . 3.81 774 594 A 3 THR HA A 4 PRO HDy 1.0 . 3.10 775 594 A 3 THR HA A 4 PRO HDx 1.0 . 3.10 776 595 A 8 PRO HDx A 18 VAL HGy% 1.0 . 3.84 777 595 A 8 PRO HDy A 18 VAL HGy% 1.0 . 3.84 778 595 A 18 VAL HGx% A 8 PRO HDx 1.0 . 3.84 779 595 A 8 PRO HDy A 18 VAL HGx% 1.0 . 3.84 780 596 A 9 PHE HBy A 40 LEU HB3 1.0 . 4.22 781 596 A 40 LEU HB3 A 9 PHE HBx 1.0 . 4.22 782 597 A 44 VAL HA A 10 LEU HBx 1.0 . 4.60 783 597 A 44 VAL HA A 10 LEU HBy 1.0 . 4.60 784 598 A 44 VAL HB A 10 LEU HBx 1.0 . 3.88 785 598 A 44 VAL HB A 10 LEU HBy 1.0 . 3.88 786 599 A 10 LEU HDx% A 17 VAL HG1% 1.0 . 4.14 787 599 A 17 VAL HG1% A 10 LEU HDy% 1.0 . 4.14 788 600 A 10 LEU HDy% A 17 VAL HG2% 1.0 . 4.14 789 600 A 10 LEU HDx% A 17 VAL HG2% 1.0 . 4.14 790 601 A 13 ALA H A 12 GLY HAx 1.0 . 3.08 791 601 A 13 ALA H A 12 GLY HAy 1.0 . 3.08 792 602 A 15 GLN H A 15 GLN HBx 1.0 . 3.06 793 602 A 15 GLN HBy A 15 GLN H 1.0 . 3.06 794 603 A 47 LEU HD1% A 17 VAL HG1% 1.0 . 4.23 795 603 A 17 VAL HG1% A 47 LEU HD2% 1.0 . 4.23 796 604 A 47 LEU HD1% A 17 VAL HG2% 1.0 . 4.23 797 604 A 17 VAL HG2% A 47 LEU HD2% 1.0 . 4.23 798 605 A 19 LYS H A 18 VAL HGy% 1.0 . 4.41 799 605 A 19 LYS H A 18 VAL HGx% 1.0 . 4.41 800 606 A 19 LYS HA A 22 PHE HB2 1.0 . 3.56 801 606 A 19 LYS HA A 22 PHE HB3 1.0 . 3.56 802 607 A 21 PHE HE% A 40 LEU HD2% 1.0 . 4.19 803 607 A 21 PHE HE% A 40 LEU HD1% 1.0 . 4.19 804 608 A 40 LEU HA A 24 LEU HDy% 1.0 . 4.48 805 608 A 40 LEU HA A 24 LEU HDx% 1.0 . 4.48 806 609 A 25 LEU H A 25 LEU HBx 1.0 . 3.27 807 609 A 25 LEU H A 25 LEU HBy 1.0 . 3.27 808 610 A 26 LYS H A 25 LEU HBx 1.0 . 2.87 809 610 A 25 LEU HBy A 26 LYS H 1.0 . 2.87 810 611 A 25 LEU HDx% A 26 LYS HGx 1.0 . 5.43 811 611 A 25 LEU HDy% A 26 LYS HGx 1.0 . 5.43 812 611 A 26 LYS HGy A 25 LEU HDy% 1.0 . 5.43 813 611 A 25 LEU HDx% A 26 LYS HGy 1.0 . 5.43 814 612 A 40 LEU HG A 25 LEU HDy% 1.0 . 3.48 815 612 A 25 LEU HDx% A 40 LEU HG 1.0 . 3.48 816 613 A 25 LEU HDx% A 40 LEU HD2% 1.0 . 3.02 817 613 A 25 LEU HDy% A 40 LEU HD2% 1.0 . 3.02 818 613 A 40 LEU HD1% A 25 LEU HDy% 1.0 . 3.02 819 613 A 25 LEU HDx% A 40 LEU HD1% 1.0 . 3.02 820 614 A 28 ASP H A 27 LYS HBx 1.0 . 3.79 821 614 A 28 ASP H A 27 LYS HBy 1.0 . 3.79 822 615 A 29 GLU H A 29 GLU HBx 1.0 . 3.20 823 615 A 29 GLU H A 29 GLU HBy 1.0 . 3.20 824 616 A 35 GLU H A 31 LYS HBx 1.0 . 4.36 825 616 A 35 GLU H A 31 LYS HBy 1.0 . 4.36 826 617 A 32 THR HB A 33 ASP HBx 1.0 . 4.46 827 617 A 32 THR HB A 33 ASP HBy 1.0 . 4.46 828 618 A 36 ILE HD1% A 33 ASP HBx 1.0 . 5.34 829 618 A 36 ILE HD1% A 33 ASP HBy 1.0 . 5.34 830 619 A 36 ILE H A 40 LEU HD2% 1.0 . 5.34 831 619 A 36 ILE H A 40 LEU HD1% 1.0 . 5.34 832 620 A 36 ILE HB A 40 LEU HD2% 1.0 . 4.36 833 620 A 36 ILE HB A 40 LEU HD1% 1.0 . 4.36 834 621 A 36 ILE HG13 A 40 LEU HD2% 1.0 . 4.44 835 621 A 36 ILE HG12 A 40 LEU HD2% 1.0 . 4.44 836 621 A 40 LEU HD1% A 36 ILE HG12 1.0 . 4.44 837 621 A 40 LEU HD1% A 36 ILE HG13 1.0 . 4.44 838 622 A 37 GLU HA A 40 LEU HD2% 1.0 . 4.32 839 622 A 40 LEU HD1% A 37 GLU HA 1.0 . 4.32 840 623 A 39 ASP H A 38 LYS HBy 1.0 . 2.80 841 623 A 39 ASP H A 38 LYS HBx 1.0 . 2.80 842 624 A 42 ALA HB% A 39 ASP HBy 1.0 . 4.64 843 624 A 39 ASP HBx A 42 ALA HB% 1.0 . 4.64 844 625 A 43 TRP HH2 A 40 LEU HD2% 1.0 . 4.74 845 625 A 43 TRP HH2 A 40 LEU HD1% 1.0 . 4.74 846 626 A 44 VAL HA A 43 TRP HB2 1.0 . 4.87 847 626 A 44 VAL HA A 43 TRP HB3 1.0 . 4.87 848 627 A 46 THR H A 47 LEU HBx 1.0 . 5.34 849 627 A 46 THR H A 47 LEU HBy 1.0 . 5.34 850 628 A 47 LEU H A 47 LEU HBx 1.0 . 3.53 851 628 A 47 LEU H A 47 LEU HBy 1.0 . 3.53 852 629 A 47 LEU HA A 47 LEU HD2% 1.0 . 3.76 853 629 A 47 LEU HA A 47 LEU HD1% 1.0 . 3.76 854 630 A 51 TYR HD% A 47 LEU HBx 1.0 . 4.94 855 630 A 51 TYR HD% A 47 LEU HBy 1.0 . 4.94 856 631 A 52 LYS H A 48 GLY HAx 1.0 . 5.34 857 631 A 52 LYS H A 48 GLY HAy 1.0 . 5.34 858 632 A 50 ASP H A 49 GLY HAx 1.0 . 3.01 859 632 A 49 GLY HAy A 50 ASP H 1.0 . 3.01 860 633 A 50 ASP HBy A 52 LYS HGx 1.0 . 4.59 861 633 A 50 ASP HBx A 52 LYS HGx 1.0 . 4.59 862 633 A 52 LYS HGy A 50 ASP HBy 1.0 . 4.59 863 633 A 52 LYS HGy A 50 ASP HBx 1.0 . 4.59 864 634 A 51 TYR HA A 54 LYS HBy 1.0 . 3.57 865 634 A 51 TYR HA A 54 LYS HBx 1.0 . 3.57 866 635 A 51 TYR HA A 54 LYS HDx 1.0 . 3.06 867 635 A 51 TYR HA A 54 LYS HDy 1.0 . 3.06 868 636 A 52 LYS H A 51 TYR HBy 1.0 . 3.95 869 636 A 52 LYS H A 51 TYR HBx 1.0 . 3.95 870 637 A 52 LYS HA A 55 PHE HBx 1.0 . 3.92 871 637 A 52 LYS HA A 55 PHE HBy 1.0 . 3.92 872 638 A 53 ALA HA A 56 GLU HB2 1.0 . 3.52 873 638 A 53 ALA HA A 56 GLU HB3 1.0 . 3.52 874 639 A 53 ALA HB% A 54 LYS HBy 1.0 . 4.05 875 639 A 53 ALA HB% A 54 LYS HBx 1.0 . 4.05 876 640 A 55 PHE HA A 58 PHE HBx 1.0 . 3.55 877 640 A 55 PHE HA A 58 PHE HBy 1.0 . 3.55 878 641 A 56 GLU H A 55 PHE HBx 1.0 . 4.10 879 641 A 56 GLU H A 55 PHE HBy 1.0 . 4.10 880 642 A 58 PHE H A 56 GLU HB2 1.0 . 5.34 881 642 A 58 PHE H A 56 GLU HB3 1.0 . 5.34 882 643 A 57 THR HA A 60 LYS HBx 1.0 . 4.21 883 643 A 57 THR HA A 60 LYS HBy 1.0 . 4.21 884 644 A 58 PHE H A 61 GLU HB2 1.0 . 5.34 885 644 A 58 PHE H A 61 GLU HB3 1.0 . 5.34 886 645 A 58 PHE HA A 61 GLU HB2 1.0 . 4.16 887 645 A 58 PHE HA A 61 GLU HB3 1.0 . 4.16 888 646 A 59 LYS H A 59 LYS HBy 1.0 . 2.94 889 646 A 59 LYS H A 59 LYS HBx 1.0 . 2.94 890 647 A 59 LYS HA A 62 MET HBy 1.0 . 4.07 891 647 A 59 LYS HA A 62 MET HBx 1.0 . 4.07 892 648 A 62 MET H A 62 MET HBy 1.0 . 3.05 893 648 A 62 MET H A 62 MET HBx 1.0 . 3.05 894 649 A 65 LYS H A 62 MET HBy 1.0 . 5.34 895 649 A 65 LYS H A 62 MET HBx 1.0 . 5.34 896 650 A 74 GLU HA A 77 VAL HGy% 1.0 . 4.01 897 650 A 77 VAL HGx% A 74 GLU HA 1.0 . 4.01 898 651 A 77 VAL HA A 80 MET HGx 1.0 . 4.58 899 651 A 77 VAL HA A 80 MET HGy 1.0 . 4.58 900 652 A 77 VAL HA A 85 LYS HEx 1.0 . 5.14 901 652 A 77 VAL HA A 85 LYS HEy 1.0 . 5.14 902 653 A 79 LYS H A 79 LYS HBx 1.0 . 3.62 903 653 A 79 LYS H A 79 LYS HBy 1.0 . 3.62 904 654 A 80 MET H A 80 MET HBy 1.0 . 2.67 905 654 A 80 MET H A 80 MET HBx 1.0 . 2.67 906 655 A 81 THR H A 80 MET HBy 1.0 . 4.08 907 655 A 81 THR H A 80 MET HBx 1.0 . 4.08 908 656 A 84 ALA H A 82 PRO HGx 1.0 . 4.26 909 656 A 84 ALA H A 82 PRO HGy 1.0 . 4.26 910 657 A 83 GLU HA A 83 GLU HGy 1.0 . 3.45 911 657 A 83 GLU HA A 83 GLU HGx 1.0 . 3.45 912 658 A 92 SER H A 92 SER HBy 1.0 . 3.52 913 658 A 92 SER H A 92 SER HBx 1.0 . 3.52 914 659 A 94 ILE H A 94 ILE HG1y 1.0 . 4.19 915 659 A 94 ILE H A 94 ILE HG1x 1.0 . 4.19 916 660 A 97 ASP HA A 100 LEU HDy% 1.0 . 4.22 917 660 A 100 LEU HDx% A 97 ASP HA 1.0 . 4.22 918 661 A 99 SER H A 97 ASP HBy 1.0 . 4.81 919 661 A 97 ASP HBx A 99 SER H 1.0 . 4.81 920 662 A 97 ASP HBx A 100 LEU HDy% 1.0 . 3.60 921 662 A 100 LEU HDx% A 97 ASP HBy 1.0 . 3.60 922 662 A 97 ASP HBx A 100 LEU HDx% 1.0 . 3.60 923 662 A 97 ASP HBy A 100 LEU HDy% 1.0 . 3.60 924 663 A 99 SER H A 100 LEU HBx 1.0 . 5.34 925 663 A 100 LEU HBy A 99 SER H 1.0 . 5.34 926 664 A 105 LYS H A 102 GLY HAx 1.0 . 4.55 927 664 A 105 LYS H A 102 GLY HAy 1.0 . 4.55 928 665 A 103 ILE HG2% A 103 ILE HG1x 1.0 . 2.80 929 665 A 103 ILE HG2% A 103 ILE HG1y 1.0 . 2.80 930 666 A 103 ILE HG2% A 104 GLN HBx 1.0 . 4.69 931 666 A 103 ILE HG2% A 104 GLN HBy 1.0 . 4.69 932 667 A 105 LYS H A 104 GLN HBx 1.0 . 3.53 933 667 A 105 LYS H A 104 GLN HBy 1.0 . 3.53 934 668 A 111 ALA H A 112 ILE HG1y 1.0 . 4.16 935 668 A 111 ALA H A 112 ILE HG1x 1.0 . 4.16 936 669 A 112 ILE HA A 112 ILE HG1y 1.0 . 3.52 937 669 A 112 ILE HA A 112 ILE HG1x 1.0 . 3.52 938 670 A 112 ILE HG2% A 112 ILE HG1y 1.0 . 3.13 939 670 A 112 ILE HG2% A 112 ILE HG1x 1.0 . 3.13 940 671 A 117 PRO HD2 A 116 LEU HDy% 1.0 . 4.75 941 671 A 116 LEU HDx% A 117 PRO HD2 1.0 . 4.75 942 672 A 118 GLN HA A 118 GLN HE2x 1.0 . 4.28 943 672 A 118 GLN HA A 118 GLN HE2y 1.0 . 4.28 944 673 A 120 VAL HA A 123 GLU HGy 1.0 . 3.45 945 673 A 120 VAL HA A 123 GLU HGx 1.0 . 3.45 946 674 A 124 LEU H A 123 GLU HGy 1.0 . 3.83 947 674 A 124 LEU H A 123 GLU HGx 1.0 . 3.83 948 675 A 132 VAL H A 132 VAL HGy% 1.0 . 3.72 949 675 A 132 VAL HGx% A 132 VAL H 1.0 . 3.72 950 676 A 132 VAL HA A 133 PRO HDy 1.0 . 2.98 951 676 A 133 PRO HDx A 132 VAL HA 1.0 . 2.98 952 677 A 47 LEU HA A 46 THR HB 1.0 . 4.44 953 678 A 60 LYS H A 57 THR HA 1.0 . 4.56 954 679 A 18 VAL HA A 18 VAL HGy% 1.0 . 4.05 955 680 A 44 VAL HA A 47 LEU HG 1.0 . 3.84 956 681 A 120 VAL HA A 120 VAL HG1% 1.0 . 3.25 957 682 A 77 VAL HA A 80 MET HBy 1.0 . 4.21 958 683 A 93 LYS H A 92 SER HBy 1.0 . 4.17 959 684 A 22 PHE HA A 22 PHE HD% 1.0 . 3.87 960 685 A 84 ALA H A 81 THR HA 1.0 . 4.94 961 686 A 58 PHE HA A 61 GLU HB3 1.0 . 4.73 962 687 A 121 LYS HA A 121 LYS HGx 1.0 . 3.15 963 687 A 121 LYS HA A 121 LYS HGy 1.0 . 3.15 964 688 A 121 LYS HA A 120 VAL HG2% 1.0 . 4.11 965 689 A 60 LYS HA A 63 LYS H 1.0 . 4.91 966 690 A 132 VAL HA A 133 PRO HDy 1.0 . 3.59 967 691 A 24 LEU HA A 24 LEU HG 1.0 . 4.07 968 692 A 52 LYS HA A 55 PHE HBx 1.0 . 4.51 969 693 A 52 LYS HA A 52 LYS HGx 1.0 . 3.54 970 693 A 52 LYS HA A 52 LYS HGy 1.0 . 3.54 971 694 A 52 LYS HA A 44 VAL HG2% 1.0 . 5.50 972 695 A 10 LEU HA A 51 TYR HE% 1.0 . 4.86 973 696 A 20 ALA HA A 23 GLU H 1.0 . 3.81 974 697 A 20 ALA HA A 19 LYS H 1.0 . 5.43 975 698 A 21 PHE HE% A 21 PHE HA 1.0 . 5.40 976 699 A 21 PHE HD% A 21 PHE HA 1.0 . 3.58 977 700 A 10 LEU HA A 10 LEU HDx% 1.0 . 4.54 978 701 A 42 ALA HA A 42 ALA H 1.0 . 2.87 979 702 A 3 THR HG2% A 4 PRO HDy 1.0 . 4.27 980 703 A 51 TYR H A 49 GLY HAy 1.0 . 4.98 981 704 A 25 LEU H A 24 LEU HBy 1.0 . 4.55 982 705 A 36 ILE H A 36 ILE HB 1.0 . 3.82 983 706 A 93 LYS H A 94 ILE HB 1.0 . 4.94 984 707 A 109 ILE HB A 106 ALA HA 1.0 . 3.56 985 708 A 9 PHE HBx A 40 LEU HB2 1.0 . 4.90 986 709 A 22 PHE H A 21 PHE HBx 1.0 . 4.24 987 710 A 28 ASP H A 28 ASP HBy 1.0 . 4.05 988 711 A 43 TRP HB3 A 24 LEU HDy% 1.0 . 5.50 989 712 A 43 TRP H A 43 TRP HB3 1.0 . 3.98 990 713 A 113 TYR H A 113 TYR HBx 1.0 . 3.61 991 713 A 113 TYR HBy A 113 TYR H 1.0 . 3.61 992 714 A 123 GLU H A 122 ASP HBy 1.0 . 4.18 993 715 A 17 VAL HA A 16 ASP HA 1.0 . 4.75 994 716 A 26 LYS HA A 29 GLU HG2 1.0 . 3.62 995 716 A 29 GLU HG3 A 26 LYS HA 1.0 . 3.62 996 717 A 9 PHE H A 37 GLU HA 1.0 . 5.50 997 718 A 41 ASP HA A 43 TRP HD1 1.0 . 5.27 998 719 A 66 GLU HA A 66 GLU HBx 1.0 . 2.80 999 719 A 66 GLU HBy A 66 GLU HA 1.0 . 2.80 1000 720 A 62 MET HA A 65 LYS HBx 1.0 . 3.51 1001 720 A 65 LYS HBy A 62 MET HA 1.0 . 3.51 1002 721 A 84 ALA HA A 87 ALA HB% 1.0 . 3.26 1003 722 A 87 ALA HA A 90 GLU HBx 1.0 . 4.21 1004 723 A 111 ALA HA A 114 LYS HBx 1.0 . 4.03 1005 723 A 114 LYS HBy A 111 ALA HA 1.0 . 4.03 1006 724 A 61 GLU HA A 64 ALA H 1.0 . 3.86 1007 725 A 110 GLN HA A 110 GLN HBx 1.0 . 2.55 1008 725 A 110 GLN HA A 110 GLN HBy 1.0 . 2.55 1009 726 A 90 GLU HA A 93 LYS HGx 1.0 . 2.51 1010 726 A 90 GLU HA A 93 LYS HGy 1.0 . 2.51 1011 727 A 65 LYS HA A 69 LEU HDx% 1.0 . 5.50 1012 727 A 69 LEU HDy% A 65 LYS HA 1.0 . 5.50 1013 728 A 90 GLU HA A 103 ILE HG2% 1.0 . 4.70 1014 729 A 63 LYS HA A 63 LYS HBx 1.0 . 2.45 1015 729 A 63 LYS HA A 63 LYS HBy 1.0 . 2.45 1016 730 A 108 LYS H A 106 ALA HB% 1.0 . 4.75 1017 731 A 111 ALA H A 111 ALA HB% 1.0 . 2.41 1018 732 A 95 ALA HB% A 67 ALA HA 1.0 . 3.48 1019 733 A 124 LEU HA A 123 GLU HGy 1.0 . 5.11 1020 734 A 83 GLU HA A 83 GLU HGy 1.0 . 4.12 1021 735 A 71 LYS H A 71 LYS HBx 1.0 . 2.87 1022 735 A 71 LYS H A 71 LYS HBy 1.0 . 2.87 1023 736 A 63 LYS H A 62 MET HBx 1.0 . 3.66 1024 737 A 72 ALA H A 71 LYS HBx 1.0 . 2.64 1025 737 A 72 ALA H A 71 LYS HBy 1.0 . 2.64 1026 738 A 124 LEU H A 123 GLU HB3 1.0 . 4.45 1027 739 A 15 GLN H A 15 GLN HBx 1.0 . 3.67 1028 740 A 83 GLU H A 83 GLU HBx 1.0 . 4.05 1029 741 A 91 LEU H A 90 GLU HBx 1.0 . 4.19 1030 742 A 112 ILE H A 110 GLN HBx 1.0 . 4.91 1031 742 A 112 ILE H A 110 GLN HBy 1.0 . 4.91 1032 743 A 123 GLU H A 125 GLU HBx 1.0 . 5.06 1033 743 A 125 GLU HBy A 123 GLU H 1.0 . 5.06 1034 744 A 76 ALA H A 75 GLU HBx 1.0 . 3.22 1035 745 A 128 ILE H A 128 ILE HG1x 1.0 . 4.27 1036 746 A 25 LEU H A 25 LEU HG 1.0 . 4.18 1037 747 A 87 ALA H A 86 LYS HGx 1.0 . 5.05 1038 747 A 86 LYS HGy A 87 ALA H 1.0 . 5.05 1039 748 A 46 THR H A 47 LEU HG 1.0 . 4.18 1040 749 A 66 GLU H A 69 LEU HDx% 1.0 . 5.28 1041 749 A 69 LEU HDy% A 66 GLU H 1.0 . 5.28 1042 750 A 25 LEU H A 25 LEU HDy% 1.0 . 4.23 1043 751 A 42 ALA H A 42 ALA HB% 1.0 . 2.67 1044 752 A 21 PHE HE% A 40 LEU HD1% 1.0 . 4.82 1045 753 A 19 LYS HA A 19 LYS HBx 1.0 . 2.40 1046 753 A 19 LYS HA A 19 LYS HBy 1.0 . 2.40 1047 754 A 56 GLU HA A 59 LYS HBy 1.0 . 4.33 1048 755 A 19 LYS HA A 19 LYS HDx 1.0 . 2.93 1049 755 A 19 LYS HA A 19 LYS HDy 1.0 . 2.93 1050 756 A 94 ILE HA A 94 ILE HG1x 1.0 . 3.75 1051 757 A 37 GLU HA A 37 GLU HBx 1.0 . 2.61 1052 757 A 37 GLU HBy A 37 GLU HA 1.0 . 2.61 1053 758 A 94 ILE HA A 94 ILE HG1y 1.0 . 3.75 1054 759 A 116 LEU HA A 121 LYS HGx 1.0 . 5.48 1055 759 A 121 LYS HGy A 116 LEU HA 1.0 . 5.48 1056 760 A 40 LEU HA A 40 LEU HD1% 1.0 . 4.01 1057 761 A 111 ALA HA A 114 LYS HGx 1.0 . 4.29 1058 761 A 114 LYS HGy A 111 ALA HA 1.0 . 4.29 1059 762 A 86 LYS HA A 86 LYS HGx 1.0 . 2.75 1060 762 A 86 LYS HGy A 86 LYS HA 1.0 . 2.75 1061 763 A 120 VAL HA A 120 VAL HG2% 1.0 . 3.25 1062 764 A 17 VAL HA A 17 VAL HG1% 1.0 . 3.39 1063 765 A 77 VAL HA A 77 VAL HGy% 1.0 . 3.38 1064 766 A 95 ALA HA A 67 ALA HB% 1.0 . 4.53 1065 767 A 57 THR HG2% A 56 GLU HGx 1.0 . 3.93 1066 767 A 56 GLU HGy A 57 THR HG2% 1.0 . 3.93 1067 768 A 103 ILE HG2% A 90 GLU HGx 1.0 . 5.07 1068 768 A 90 GLU HGy A 103 ILE HG2% 1.0 . 5.07 1069 769 A 36 ILE HG2% A 40 LEU HG 1.0 . 3.02 1070 770 A 36 ILE HB A 36 ILE HD1% 1.0 . 2.46 1071 771 A 66 GLU HBy A 69 LEU HDx% 1.0 . 4.27 1072 771 A 69 LEU HDy% A 66 GLU HBx 1.0 . 4.27 1073 771 A 66 GLU HBy A 69 LEU HDy% 1.0 . 4.27 1074 771 A 66 GLU HBx A 69 LEU HDx% 1.0 . 4.27 1075 772 A 25 LEU HDx% A 40 LEU HG 1.0 . 4.74 1076 773 A 40 LEU HG A 25 LEU HDy% 1.0 . 4.74 1077 774 A 20 ALA HB% A 17 VAL HG1% 1.0 . 5.50 1078 775 A 25 LEU H A 24 LEU HG 1.0 . 4.19 1079 776 A 38 LYS H A 37 GLU HGx 1.0 . 3.56 1080 776 A 37 GLU HGy A 38 LYS H 1.0 . 3.56 1081 777 A 60 LYS HA A 63 LYS HBx 1.0 . 2.91 1082 777 A 60 LYS HA A 63 LYS HBy 1.0 . 2.91 1083 778 A 105 LYS H A 105 LYS HGx 1.0 . 4.61 1084 779 A 109 ILE HA A 109 ILE HG2% 1.0 . 3.65 1085 780 A 70 ALA HB% A 92 SER HA 1.0 . 4.23 1086 781 A 77 VAL HB A 74 GLU HA 1.0 . 2.77 1087 782 A 71 LYS HA A 74 GLU HBx 1.0 . 3.00 1088 782 A 71 LYS HA A 74 GLU HBy 1.0 . 3.00 1089 783 A 90 GLU HBy A 87 ALA HA 1.0 . 4.21 1090 784 A 114 LYS H A 114 LYS HBx 1.0 . 3.07 1091 784 A 114 LYS H A 114 LYS HBy 1.0 . 3.07 1092 785 A 113 TYR HD% A 109 ILE HG2% 1.0 . 4.20 1093 786 A 44 VAL H A 43 TRP H 1.0 . 2.54 1094 787 A 12 GLY H A 11 ALA H 1.0 . 4.45 1095 788 A 83 GLU H A 84 ALA H 1.0 . 3.69 1096 789 A 58 PHE H A 56 GLU H 1.0 . 5.45 1097 790 A 91 LEU H A 90 GLU H 1.0 . 4.08 1098 791 A 90 GLU H A 89 ALA H 1.0 . 3.51 1099 792 A 59 LYS H A 60 LYS H 1.0 . 4.00 1100 793 A 115 THR H A 116 LEU H 1.0 . 3.66 1101 794 A 97 ASP H A 98 ASP H 1.0 . 4.96 1102 795 A 10 LEU H A 51 TYR HD% 1.0 . 5.50 1103 796 A 119 SER H A 120 VAL H 1.0 . 4.24 1104 797 A 133 PRO HA A 134 GLN H 1.0 . 3.29 1105 798 A 82 PRO HA A 85 LYS H 1.0 . 4.33 1106 799 A 88 ASP H A 84 ALA HA 1.0 . 5.00 1107 800 A 119 SER H A 119 SER HBx 1.0 . 3.39 1108 800 A 119 SER H A 119 SER HBy 1.0 . 3.39 1109 801 A 49 GLY H A 48 GLY HAy 1.0 . 3.55 1110 802 A 11 ALA HA A 13 ALA H 1.0 . 4.05 1111 803 A 109 ILE HA A 112 ILE H 1.0 . 5.16 1112 804 A 58 PHE H A 58 PHE HBx 1.0 . 3.76 1113 805 A 21 PHE H A 21 PHE HBx 1.0 . 3.52 1114 806 A 21 PHE HA A 24 LEU H 1.0 . 4.55 1115 807 A 41 ASP HB2 A 41 ASP H 1.0 . 4.06 1116 808 A 122 ASP H A 122 ASP HBy 1.0 . 3.99 1117 809 A 51 TYR H A 51 TYR HBx 1.0 . 3.87 1118 810 A 28 ASP H A 28 ASP HBx 1.0 . 4.05 1119 811 A 16 ASP H A 16 ASP HBx 1.0 . 3.83 1120 812 A 88 ASP H A 88 ASP HBx 1.0 . 3.65 1121 812 A 88 ASP HBy A 88 ASP H 1.0 . 3.65 1122 813 A 104 GLN H A 104 GLN HG2 1.0 . 3.93 1123 813 A 104 GLN H A 104 GLN HG3 1.0 . 3.93 1124 814 A 68 GLU H A 66 GLU HGx 1.0 . 5.50 1125 814 A 66 GLU HGy A 68 GLU H 1.0 . 5.50 1126 815 A 30 THR H A 29 GLU HG2 1.0 . 4.50 1127 815 A 29 GLU HG3 A 30 THR H 1.0 . 4.50 1128 816 A 15 GLN H A 15 GLN HG2 1.0 . 3.78 1129 816 A 15 GLN H A 15 GLN HG3 1.0 . 3.78 1130 817 A 16 ASP H A 15 GLN HG2 1.0 . 4.16 1131 817 A 16 ASP H A 15 GLN HG3 1.0 . 4.16 1132 818 A 83 GLU H A 83 GLU HGx 1.0 . 3.88 1133 819 A 134 GLN H A 134 GLN HGx 1.0 . 4.38 1134 819 A 134 GLN H A 134 GLN HGy 1.0 . 4.38 1135 820 A 69 LEU H A 68 GLU HGx 1.0 . 4.20 1136 820 A 69 LEU H A 68 GLU HGy 1.0 . 4.20 1137 821 A 96 GLU H A 96 GLU HBy 1.0 . 3.79 1138 822 A 111 ALA H A 110 GLN HBx 1.0 . 3.83 1139 822 A 111 ALA H A 110 GLN HBy 1.0 . 3.83 1140 823 A 37 GLU H A 37 GLU HBx 1.0 . 3.47 1141 823 A 37 GLU HBy A 37 GLU H 1.0 . 3.47 1142 824 A 16 ASP H A 15 GLN HBx 1.0 . 4.17 1143 825 A 84 ALA H A 83 GLU HBy 1.0 . 4.06 1144 826 A 40 LEU H A 40 LEU HB2 1.0 . 3.92 1145 827 A 66 GLU H A 65 LYS HBx 1.0 . 3.39 1146 827 A 66 GLU H A 65 LYS HBy 1.0 . 3.39 1147 828 A 37 GLU H A 36 ILE HB 1.0 . 3.82 1148 829 A 96 GLU H A 96 GLU HBx 1.0 . 3.79 1149 830 A 84 ALA H A 83 GLU HBx 1.0 . 4.06 1150 831 A 53 ALA H A 52 LYS HBx 1.0 . 3.52 1151 831 A 53 ALA H A 52 LYS HBy 1.0 . 3.52 1152 832 A 21 PHE H A 20 ALA HB% 1.0 . 3.98 1153 833 A 23 GLU H A 19 LYS HDx 1.0 . 3.65 1154 833 A 23 GLU H A 19 LYS HDy 1.0 . 3.65 1155 834 A 100 LEU H A 100 LEU HG 1.0 . 4.43 1156 835 A 112 ILE H A 111 ALA HB% 1.0 . 3.47 1157 836 A 84 ALA HB% A 84 ALA H 1.0 . 3.34 1158 837 A 89 ALA HB% A 89 ALA H 1.0 . 2.59 1159 838 A 83 GLU H A 86 LYS HGx 1.0 . 5.50 1160 838 A 86 LYS HGy A 83 GLU H 1.0 . 5.50 1161 839 A 11 ALA HB% A 11 ALA H 1.0 . 3.26 1162 840 A 64 ALA HB% A 65 LYS H 1.0 . 2.86 1163 841 A 131 ALA H A 131 ALA HB% 1.0 . 3.74 1164 842 A 18 VAL H A 17 VAL HG2% 1.0 . 4.91 1165 843 A 47 LEU H A 47 LEU HG 1.0 . 3.51 1166 844 A 17 VAL HG1% A 17 VAL H 1.0 . 4.37 1167 845 A 18 VAL H A 17 VAL HG1% 1.0 . 4.91 1168 846 A 10 LEU H A 10 LEU HBx 1.0 . 4.10 1169 847 A 113 TYR H A 112 ILE HD1% 1.0 . 4.21 1170 848 A 124 LEU H A 124 LEU HG 1.0 . 4.85 1171 849 A 10 LEU H A 10 LEU HDy% 1.0 . 4.17 1172 850 A 39 ASP H A 40 LEU H 1.0 . 3.77 1173 851 A 55 PHE H A 55 PHE HD% 1.0 . 4.10 1174 852 A 55 PHE H A 55 PHE HBx 1.0 . 3.75 1175 853 A 113 TYR HA A 116 LEU H 1.0 . 5.33 1176 854 A 116 LEU H A 116 LEU HG 1.0 . 4.95 1177 855 A 120 VAL HG1% A 120 VAL H 1.0 . 4.28 1178 856 A 53 ALA H A 52 LYS HA 1.0 . 3.57 1179 857 A 21 PHE H A 21 PHE HBy 1.0 . 3.52 1180 858 A 21 PHE H A 20 ALA H 1.0 . 2.97 1181 859 A 61 GLU H A 61 GLU HB2 1.0 . 2.82 1182 860 A 111 ALA H A 109 ILE HB 1.0 . 5.21 1183 861 A 44 VAL H A 44 VAL HB 1.0 . 3.62 1184 862 A 44 VAL H A 40 LEU HA 1.0 . 4.77 1185 863 A 52 LYS H A 52 LYS HBx 1.0 . 3.94 1186 863 A 52 LYS H A 52 LYS HBy 1.0 . 3.94 1187 864 A 95 ALA H A 67 ALA HA 1.0 . 4.93 1188 865 A 130 PRO HBx A 131 ALA H 1.0 . 4.38 1189 866 A 13 ALA HB% A 13 ALA H 1.0 . 2.70 1190 867 A 17 VAL H A 17 VAL HG2% 1.0 . 4.37 1191 868 A 29 GLU H A 29 GLU HBy 1.0 . 4.00 1192 869 A 29 GLU H A 26 LYS HBx 1.0 . 5.05 1193 869 A 29 GLU H A 26 LYS HBy 1.0 . 5.05 1194 870 A 16 ASP H A 18 VAL H 1.0 . 4.23 1195 871 A 123 GLU H A 124 LEU HDx% 1.0 . 5.17 1196 871 A 124 LEU HDy% A 123 GLU H 1.0 . 5.17 1197 872 A 38 LYS H A 38 LYS HBy 1.0 . 4.13 1198 873 A 35 GLU H A 32 THR H 1.0 . 3.89 1199 874 A 48 GLY H A 51 TYR HD% 1.0 . 4.84 1200 875 A 35 GLU H A 37 GLU H 1.0 . 5.50 1201 876 A 128 ILE H A 128 ILE HB 1.0 . 3.99 1202 877 A 16 ASP H A 15 GLN HBy 1.0 . 4.17 1203 878 A 20 ALA H A 19 LYS HBx 1.0 . 2.82 1204 878 A 20 ALA H A 19 LYS HBy 1.0 . 2.82 1205 879 A 18 VAL HA A 22 PHE H 1.0 . 4.30 1206 880 A 20 ALA HB% A 22 PHE H 1.0 . 5.50 1207 881 A 22 PHE H A 23 GLU H 1.0 . 3.15 1208 882 A 24 LEU H A 19 LYS HDx 1.0 . 5.50 1209 882 A 19 LYS HDy A 24 LEU H 1.0 . 5.50 1210 883 A 31 LYS H A 31 LYS HDx 1.0 . 3.46 1211 883 A 31 LYS HDy A 31 LYS H 1.0 . 3.46 1212 884 A 46 THR H A 45 ASP H 1.0 . 2.87 1213 885 A 61 GLU H A 57 THR HA 1.0 . 4.11 1214 886 A 64 ALA HB% A 64 ALA H 1.0 . 2.81 1215 887 A 65 LYS H A 64 ALA H 1.0 . 2.66 1216 888 A 67 ALA HB% A 69 LEU H 1.0 . 4.79 1217 889 A 103 ILE HB A 103 ILE H 1.0 . 3.61 1218 890 A 96 GLU H A 95 ALA HB% 1.0 . 4.04 1219 891 A 72 ALA HB% A 72 ALA H 1.0 . 2.40 1220 892 A 110 GLN H A 109 ILE HG2% 1.0 . 4.35 1221 893 A 124 LEU H A 121 LYS HA 1.0 . 3.76 1222 894 A 124 LEU H A 124 LEU HB2 1.0 . 3.77 1223 895 A 77 VAL H A 76 ALA HA 1.0 . 3.51 1224 896 A 120 VAL H A 119 SER HBx 1.0 . 5.25 1225 896 A 120 VAL H A 119 SER HBy 1.0 . 5.25 1226 897 A 105 LYS H A 105 LYS HBy 1.0 . 3.64 1227 898 A 109 ILE H A 108 LYS H 1.0 . 3.37 1228 899 A 104 GLN H A 104 GLN HBy 1.0 . 4.08 1229 900 A 83 GLU H A 83 GLU HGy 1.0 . 3.88 1230 901 A 71 LYS H A 72 ALA H 1.0 . 3.61 1231 902 A 66 GLU H A 62 MET HA 1.0 . 4.66 1232 903 A 44 VAL H A 42 ALA H 1.0 . 5.50 1233 904 A 32 THR HB A 34 PRO HD3 1.0 . 3.87 1234 905 A 82 PRO HA A 84 ALA HB% 1.0 . 5.24 1235 906 A 82 PRO HA A 85 LYS HGx 1.0 . 5.21 1236 906 A 82 PRO HA A 85 LYS HGy 1.0 . 5.21 1237 907 A 112 ILE HG2% A 112 ILE HA 1.0 . 3.45 1238 908 A 51 TYR HA A 53 ALA HB% 1.0 . 4.38 1239 909 A 115 THR HG2% A 115 THR HA 1.0 . 3.46 1240 910 A 128 ILE HG2% A 128 ILE HA 1.0 . 3.83 1241 911 A 9 PHE HA A 8 PRO HGx 1.0 . 5.50 1242 911 A 8 PRO HGy A 9 PHE HA 1.0 . 5.50 1243 912 A 9 PHE HA A 37 GLU HBx 1.0 . 5.41 1244 912 A 37 GLU HBy A 9 PHE HA 1.0 . 5.41 1245 913 A 40 LEU HG A 9 PHE HA 1.0 . 5.09 1246 914 A 4 PRO HA A 33 ASP HBx 1.0 . 3.93 1247 914 A 33 ASP HBy A 4 PRO HA 1.0 . 3.93 1248 915 A 8 PRO HGx A 18 VAL HGy% 1.0 . 3.87 1249 915 A 8 PRO HGy A 18 VAL HGy% 1.0 . 3.87 1250 915 A 18 VAL HGx% A 8 PRO HGx 1.0 . 3.87 1251 915 A 8 PRO HGy A 18 VAL HGx% 1.0 . 3.87 1252 916 A 9 PHE H A 9 PHE HBx 1.0 . 3.36 1253 916 A 9 PHE HBy A 9 PHE H 1.0 . 3.36 1254 917 A 10 LEU HDy% A 18 VAL HGy% 1.0 . 5.28 1255 917 A 10 LEU HDx% A 18 VAL HGy% 1.0 . 5.28 1256 917 A 18 VAL HGx% A 10 LEU HDy% 1.0 . 5.28 1257 917 A 10 LEU HDx% A 18 VAL HGx% 1.0 . 5.28 1258 918 A 16 ASP H A 14 PRO HBy 1.0 . 3.77 1259 918 A 16 ASP H A 14 PRO HBx 1.0 . 3.77 1260 919 A 15 GLN HBy A 15 GLN HE2y 1.0 . 4.46 1261 919 A 15 GLN HE2x A 15 GLN HBx 1.0 . 4.46 1262 919 A 15 GLN HBy A 15 GLN HE2x 1.0 . 4.46 1263 919 A 15 GLN HBx A 15 GLN HE2y 1.0 . 4.46 1264 920 A 16 ASP HA A 15 GLN HBx 1.0 . 4.11 1265 920 A 16 ASP HA A 15 GLN HBy 1.0 . 4.11 1266 921 A 15 GLN HE2x A 15 GLN HG2 1.0 . 3.39 1267 921 A 15 GLN HE2y A 15 GLN HG2 1.0 . 3.39 1268 921 A 15 GLN HG3 A 15 GLN HE2y 1.0 . 3.39 1269 921 A 15 GLN HG3 A 15 GLN HE2x 1.0 . 3.39 1270 922 A 17 VAL H A 16 ASP HBy 1.0 . 3.40 1271 922 A 17 VAL H A 16 ASP HBx 1.0 . 3.40 1272 923 A 20 ALA H A 21 PHE HBx 1.0 . 5.34 1273 923 A 21 PHE HBy A 20 ALA H 1.0 . 5.34 1274 924 A 21 PHE HBx A 24 LEU HDy% 1.0 . 4.55 1275 924 A 24 LEU HDx% A 21 PHE HBx 1.0 . 4.55 1276 924 A 21 PHE HBy A 24 LEU HDx% 1.0 . 4.55 1277 924 A 21 PHE HBy A 24 LEU HDy% 1.0 . 4.55 1278 925 A 21 PHE HE% A 25 LEU HDy% 1.0 . 4.95 1279 925 A 21 PHE HE% A 25 LEU HDx% 1.0 . 4.95 1280 926 A 22 PHE H A 22 PHE HB2 1.0 . 3.28 1281 926 A 22 PHE H A 22 PHE HB3 1.0 . 3.28 1282 927 A 23 GLU H A 23 GLU HBx 1.0 . 3.52 1283 927 A 23 GLU HBy A 23 GLU H 1.0 . 3.52 1284 928 A 23 GLU HA A 23 GLU HBx 1.0 . 2.44 1285 928 A 23 GLU HBy A 23 GLU HA 1.0 . 2.44 1286 929 A 24 LEU H A 24 LEU HBx 1.0 . 3.14 1287 929 A 24 LEU HBy A 24 LEU H 1.0 . 3.14 1288 930 A 24 LEU HA A 24 LEU HDy% 1.0 . 3.74 1289 930 A 24 LEU HA A 24 LEU HDx% 1.0 . 3.74 1290 931 A 25 LEU H A 24 LEU HDy% 1.0 . 4.26 1291 931 A 25 LEU H A 24 LEU HDx% 1.0 . 4.26 1292 932 A 24 LEU HDx% A 43 TRP HB2 1.0 . 4.48 1293 932 A 24 LEU HDy% A 43 TRP HB2 1.0 . 4.48 1294 933 A 24 LEU HDx% A 43 TRP HB3 1.0 . 4.48 1295 933 A 43 TRP HB3 A 24 LEU HDy% 1.0 . 4.48 1296 934 A 25 LEU HA A 28 ASP HBy 1.0 . 4.39 1297 934 A 25 LEU HA A 28 ASP HBx 1.0 . 4.39 1298 935 A 40 LEU H A 25 LEU HDy% 1.0 . 5.11 1299 935 A 25 LEU HDx% A 40 LEU H 1.0 . 5.11 1300 936 A 40 LEU HD1% A 25 LEU HDy% 1.0 . 3.32 1301 936 A 25 LEU HDx% A 40 LEU HD1% 1.0 . 3.32 1302 937 A 25 LEU HDx% A 40 LEU HD2% 1.0 . 3.32 1303 937 A 25 LEU HDy% A 40 LEU HD2% 1.0 . 3.32 1304 938 A 26 LYS HA A 29 GLU HBx 1.0 . 3.12 1305 938 A 29 GLU HBy A 26 LYS HA 1.0 . 3.12 1306 939 A 27 LYS H A 27 LYS HBx 1.0 . 3.07 1307 939 A 27 LYS HBy A 27 LYS H 1.0 . 3.07 1308 940 A 28 ASP H A 28 ASP HBy 1.0 . 3.34 1309 940 A 28 ASP H A 28 ASP HBx 1.0 . 3.34 1310 941 A 33 ASP H A 33 ASP HBx 1.0 . 3.38 1311 941 A 33 ASP H A 33 ASP HBy 1.0 . 3.38 1312 942 A 33 ASP HBx A 34 PRO HGx 1.0 . 4.17 1313 942 A 34 PRO HGy A 33 ASP HBx 1.0 . 4.17 1314 942 A 33 ASP HBy A 34 PRO HGy 1.0 . 4.17 1315 942 A 33 ASP HBy A 34 PRO HGx 1.0 . 4.17 1316 943 A 34 PRO HD2 A 33 ASP HBy 1.0 . 3.48 1317 943 A 34 PRO HD2 A 33 ASP HBx 1.0 . 3.48 1318 944 A 33 ASP HBy A 34 PRO HD3 1.0 . 3.48 1319 944 A 33 ASP HBx A 34 PRO HD3 1.0 . 3.48 1320 945 A 35 GLU H A 34 PRO HBx 1.0 . 4.03 1321 945 A 35 GLU H A 34 PRO HBy 1.0 . 4.03 1322 946 A 36 ILE HA A 39 ASP HBy 1.0 . 4.11 1323 946 A 36 ILE HA A 39 ASP HBx 1.0 . 4.11 1324 947 A 38 LYS H A 38 LYS HBy 1.0 . 3.38 1325 947 A 38 LYS H A 38 LYS HBx 1.0 . 3.38 1326 948 A 38 LYS HA A 38 LYS HBy 1.0 . 2.43 1327 948 A 38 LYS HA A 38 LYS HBx 1.0 . 2.43 1328 949 A 38 LYS HA A 41 ASP HB3 1.0 . 3.42 1329 949 A 38 LYS HA A 41 ASP HB2 1.0 . 3.42 1330 950 A 40 LEU H A 39 ASP HBy 1.0 . 3.82 1331 950 A 40 LEU H A 39 ASP HBx 1.0 . 3.82 1332 951 A 43 TRP HH2 A 47 LEU HBx 1.0 . 5.34 1333 951 A 43 TRP HH2 A 47 LEU HBy 1.0 . 5.34 1334 952 A 46 THR H A 45 ASP HBy 1.0 . 3.93 1335 952 A 46 THR H A 45 ASP HBx 1.0 . 3.93 1336 953 A 48 GLY H A 47 LEU HBx 1.0 . 3.95 1337 953 A 48 GLY H A 47 LEU HBy 1.0 . 3.95 1338 954 A 50 ASP HBy A 52 LYS HDx 1.0 . 5.34 1339 954 A 50 ASP HBx A 52 LYS HDx 1.0 . 5.34 1340 954 A 52 LYS HDy A 50 ASP HBy 1.0 . 5.34 1341 954 A 52 LYS HDy A 50 ASP HBx 1.0 . 5.34 1342 955 A 53 ALA HB% A 50 ASP HBy 1.0 . 5.34 1343 955 A 53 ALA HB% A 50 ASP HBx 1.0 . 5.34 1344 956 A 53 ALA H A 54 LYS HBy 1.0 . 4.56 1345 956 A 53 ALA H A 54 LYS HBx 1.0 . 4.56 1346 957 A 54 LYS H A 54 LYS HDx 1.0 . 3.65 1347 957 A 54 LYS H A 54 LYS HDy 1.0 . 3.65 1348 958 A 55 PHE H A 54 LYS HBy 1.0 . 4.05 1349 958 A 55 PHE H A 54 LYS HBx 1.0 . 4.05 1350 959 A 59 LYS HEx A 59 LYS HGx 1.0 . 3.27 1351 959 A 59 LYS HEy A 59 LYS HGx 1.0 . 3.27 1352 959 A 59 LYS HGy A 59 LYS HEx 1.0 . 3.27 1353 959 A 59 LYS HEy A 59 LYS HGy 1.0 . 3.27 1354 960 A 60 LYS H A 60 LYS HBx 1.0 . 3.55 1355 960 A 60 LYS H A 60 LYS HBy 1.0 . 3.55 1356 961 A 63 LYS H A 62 MET HBy 1.0 . 3.11 1357 961 A 63 LYS H A 62 MET HBx 1.0 . 3.11 1358 962 A 70 ALA H A 69 LEU HB2 1.0 . 3.95 1359 962 A 70 ALA H A 69 LEU HB3 1.0 . 3.95 1360 963 A 77 VAL H A 77 VAL HGy% 1.0 . 4.00 1361 963 A 77 VAL HGx% A 77 VAL H 1.0 . 4.00 1362 964 A 77 VAL HA A 80 MET HBy 1.0 . 3.60 1363 964 A 77 VAL HA A 80 MET HBx 1.0 . 3.60 1364 965 A 77 VAL HGx% A 85 LYS HEx 1.0 . 4.73 1365 965 A 85 LYS HEy A 77 VAL HGy% 1.0 . 4.73 1366 965 A 77 VAL HGx% A 85 LYS HEy 1.0 . 4.73 1367 965 A 77 VAL HGy% A 85 LYS HEx 1.0 . 4.73 1368 966 A 80 MET H A 80 MET HGx 1.0 . 4.56 1369 966 A 80 MET H A 80 MET HGy 1.0 . 4.56 1370 967 A 80 MET HA A 80 MET HGx 1.0 . 3.69 1371 967 A 80 MET HA A 80 MET HGy 1.0 . 3.69 1372 968 A 80 MET HE% A 80 MET HBy 1.0 . 3.80 1373 968 A 80 MET HE% A 80 MET HBx 1.0 . 3.80 1374 969 A 83 GLU H A 82 PRO HGx 1.0 . 3.59 1375 969 A 83 GLU H A 82 PRO HGy 1.0 . 3.59 1376 970 A 83 GLU H A 83 GLU HGy 1.0 . 3.38 1377 970 A 83 GLU H A 83 GLU HGx 1.0 . 3.38 1378 971 A 103 ILE HG2% A 90 GLU HBx 1.0 . 4.88 1379 971 A 90 GLU HBy A 103 ILE HG2% 1.0 . 4.88 1380 972 A 92 SER HBx A 93 LYS HBx 1.0 . 4.02 1381 972 A 93 LYS HBy A 92 SER HBy 1.0 . 4.02 1382 972 A 93 LYS HBy A 92 SER HBx 1.0 . 4.02 1383 972 A 92 SER HBy A 93 LYS HBx 1.0 . 4.02 1384 973 A 94 ILE HA A 94 ILE HG1y 1.0 . 2.90 1385 973 A 94 ILE HA A 94 ILE HG1x 1.0 . 2.90 1386 974 A 97 ASP H A 96 GLU HBx 1.0 . 4.41 1387 974 A 97 ASP H A 96 GLU HBy 1.0 . 4.41 1388 975 A 100 LEU H A 97 ASP HBy 1.0 . 4.51 1389 975 A 100 LEU H A 97 ASP HBx 1.0 . 4.51 1390 976 A 100 LEU HA A 99 SER HBy 1.0 . 4.76 1391 976 A 99 SER HBx A 100 LEU HA 1.0 . 4.76 1392 977 A 100 LEU H A 100 LEU HDy% 1.0 . 3.57 1393 977 A 100 LEU H A 100 LEU HDx% 1.0 . 3.57 1394 978 A 102 GLY HAx A 105 LYS HGy 1.0 . 4.56 1395 978 A 102 GLY HAy A 105 LYS HGy 1.0 . 4.56 1396 978 A 105 LYS HGx A 102 GLY HAx 1.0 . 4.56 1397 978 A 105 LYS HGx A 102 GLY HAy 1.0 . 4.56 1398 979 A 104 GLN H A 104 GLN HBx 1.0 . 3.41 1399 979 A 104 GLN H A 104 GLN HBy 1.0 . 3.41 1400 980 A 105 LYS HA A 105 LYS HGy 1.0 . 3.67 1401 980 A 105 LYS HGx A 105 LYS HA 1.0 . 3.67 1402 981 A 113 TYR HE% A 116 LEU HDy% 1.0 . 4.85 1403 981 A 116 LEU HDx% A 113 TYR HE% 1.0 . 4.85 1404 982 A 116 LEU H A 116 LEU HBx 1.0 . 3.67 1405 982 A 116 LEU H A 116 LEU HBy 1.0 . 3.67 1406 983 A 116 LEU H A 116 LEU HDy% 1.0 . 4.33 1407 983 A 116 LEU H A 116 LEU HDx% 1.0 . 4.33 1408 984 A 116 LEU HDy% A 117 PRO HD3 1.0 . 4.75 1409 984 A 116 LEU HDx% A 117 PRO HD3 1.0 . 4.75 1410 985 A 121 LYS HA A 116 LEU HDy% 1.0 . 4.61 1411 985 A 116 LEU HDx% A 121 LYS HA 1.0 . 4.61 1412 986 A 119 SER H A 117 PRO HB3 1.0 . 3.77 1413 986 A 119 SER H A 117 PRO HB2 1.0 . 3.77 1414 987 A 117 PRO HB2 A 120 VAL HG2% 1.0 . 3.64 1415 987 A 117 PRO HB3 A 120 VAL HG2% 1.0 . 3.64 1416 987 A 120 VAL HG1% A 117 PRO HB3 1.0 . 3.64 1417 987 A 120 VAL HG1% A 117 PRO HB2 1.0 . 3.64 1418 988 A 118 GLN H A 118 GLN HBx 1.0 . 3.15 1419 988 A 118 GLN H A 118 GLN HBy 1.0 . 3.15 1420 989 A 119 SER H A 118 GLN HBx 1.0 . 3.88 1421 989 A 119 SER H A 118 GLN HBy 1.0 . 3.88 1422 990 A 121 LYS HBy A 118 GLN HE2x 1.0 . 3.96 1423 990 A 118 GLN HE2y A 121 LYS HBy 1.0 . 3.96 1424 990 A 118 GLN HE2x A 121 LYS HBx 1.0 . 3.96 1425 990 A 118 GLN HE2y A 121 LYS HBx 1.0 . 3.96 1426 991 A 120 VAL H A 120 VAL HG2% 1.0 . 3.53 1427 991 A 120 VAL HG1% A 120 VAL H 1.0 . 3.53 1428 992 A 123 GLU H A 120 VAL HG2% 1.0 . 5.44 1429 992 A 120 VAL HG1% A 123 GLU H 1.0 . 5.44 1430 993 A 123 GLU HGx A 124 LEU HDx% 1.0 . 3.45 1431 993 A 123 GLU HGy A 124 LEU HDx% 1.0 . 3.45 1432 993 A 124 LEU HDy% A 123 GLU HGy 1.0 . 3.45 1433 993 A 124 LEU HDy% A 123 GLU HGx 1.0 . 3.45 1434 994 A 129 GLY HAy A 130 PRO HDx 1.0 . 3.00 1435 994 A 129 GLY HAx A 130 PRO HDx 1.0 . 3.00 1436 994 A 130 PRO HDy A 129 GLY HAx 1.0 . 3.00 1437 994 A 130 PRO HDy A 129 GLY HAy 1.0 . 3.00 1438 995 A 132 VAL HB A 133 PRO HDy 1.0 . 4.66 1439 995 A 133 PRO HDx A 132 VAL HB 1.0 . 4.66 1440 996 A 34 PRO HA A 36 ILE H 1.0 . 5.50 1441 997 A 77 VAL HA A 80 MET HBx 1.0 . 4.21 1442 998 A 51 TYR HA A 51 TYR HD% 1.0 . 3.84 1443 999 A 51 TYR HA A 52 LYS HGx 1.0 . 4.98 1444 999 A 51 TYR HA A 52 LYS HGy 1.0 . 4.98 1445 1000 A 22 PHE HA A 25 LEU HBx 1.0 . 4.65 1446 1001 A 121 LYS HA A 121 LYS HDx 1.0 . 3.70 1447 1001 A 121 LYS HA A 121 LYS HDy 1.0 . 3.70 1448 1002 A 3 THR HA A 4 PRO HDx 1.0 . 3.75 1449 1003 A 118 GLN HA A 121 LYS H 1.0 . 4.81 1450 1004 A 133 PRO HDx A 132 VAL HA 1.0 . 3.59 1451 1005 A 132 VAL HA A 132 VAL HGy% 1.0 . 4.14 1452 1006 A 25 LEU HA A 28 ASP HBy 1.0 . 5.38 1453 1007 A 24 LEU HA A 24 LEU HDx% 1.0 . 4.93 1454 1008 A 42 ALA HB% A 39 ASP HA 1.0 . 3.71 1455 1009 A 9 PHE HA A 11 ALA H 1.0 . 4.24 1456 1010 A 64 ALA H A 64 ALA HA 1.0 . 2.85 1457 1011 A 80 MET H A 79 LYS HA 1.0 . 3.46 1458 1012 A 16 ASP HA A 19 LYS HBx 1.0 . 3.42 1459 1012 A 16 ASP HA A 19 LYS HBy 1.0 . 3.42 1460 1013 A 3 THR HA A 4 PRO HDy 1.0 . 3.75 1461 1014 A 13 ALA HA A 14 PRO HD2 1.0 . 3.48 1462 1015 A 48 GLY H A 47 LEU HBy 1.0 . 4.72 1463 1016 A 69 LEU HDy% A 69 LEU HB3 1.0 . 4.07 1464 1016 A 69 LEU HB3 A 69 LEU HDx% 1.0 . 4.07 1465 1017 A 56 GLU HA A 59 LYS HEy 1.0 . 4.61 1466 1018 A 9 PHE HBy A 40 LEU HB2 1.0 . 4.90 1467 1019 A 22 PHE H A 22 PHE HB3 1.0 . 3.91 1468 1020 A 113 TYR HA A 113 TYR HBx 1.0 . 2.92 1469 1020 A 113 TYR HBy A 113 TYR HA 1.0 . 2.92 1470 1021 A 15 GLN HA A 15 GLN HG2 1.0 . 2.44 1471 1021 A 15 GLN HA A 15 GLN HG3 1.0 . 2.44 1472 1022 A 67 ALA HB% A 68 GLU HA 1.0 . 3.88 1473 1023 A 90 GLU HA A 92 SER H 1.0 . 4.81 1474 1024 A 90 GLU HA A 90 GLU H 1.0 . 2.91 1475 1025 A 29 GLU HA A 30 THR H 1.0 . 3.55 1476 1026 A 23 GLU HA A 23 GLU HGy 1.0 . 2.75 1477 1026 A 23 GLU HGx A 23 GLU HA 1.0 . 2.75 1478 1027 A 55 PHE HA A 55 PHE HD% 1.0 . 4.19 1479 1028 A 58 PHE HD% A 55 PHE HA 1.0 . 4.08 1480 1029 A 83 GLU HA A 83 GLU HBy 1.0 . 2.64 1481 1030 A 73 HIS H A 70 ALA HA 1.0 . 4.09 1482 1031 A 66 GLU HA A 69 LEU HDx% 1.0 . 3.82 1483 1031 A 69 LEU HDy% A 66 GLU HA 1.0 . 3.82 1484 1032 A 104 GLN HA A 103 ILE HG2% 1.0 . 4.15 1485 1033 A 70 ALA H A 92 SER HA 1.0 . 4.94 1486 1034 A 115 THR H A 113 TYR HA 1.0 . 4.00 1487 1035 A 124 LEU HA A 127 GLY H 1.0 . 4.65 1488 1036 A 73 HIS H A 73 HIS HBy 1.0 . 3.93 1489 1037 A 70 ALA HA A 73 HIS HBy 1.0 . 4.08 1490 1038 A 70 ALA H A 70 ALA HB% 1.0 . 2.69 1491 1039 A 80 MET HE% A 76 ALA HA 1.0 . 4.52 1492 1040 A 13 ALA HB% A 14 PRO HD3 1.0 . 3.85 1493 1041 A 17 VAL HB A 13 ALA HB% 1.0 . 3.47 1494 1042 A 52 LYS HBy A 52 LYS HEx 1.0 . 3.01 1495 1042 A 52 LYS HBx A 52 LYS HEx 1.0 . 3.01 1496 1042 A 52 LYS HEy A 52 LYS HBx 1.0 . 3.01 1497 1042 A 52 LYS HBy A 52 LYS HEy 1.0 . 3.01 1498 1043 A 124 LEU HA A 123 GLU HGx 1.0 . 5.11 1499 1044 A 109 ILE HG2% A 110 GLN HGx 1.0 . 4.03 1500 1044 A 110 GLN HGy A 109 ILE HG2% 1.0 . 4.03 1501 1045 A 61 GLU HA A 61 GLU HG2 1.0 . 2.62 1502 1045 A 61 GLU HA A 61 GLU HG3 1.0 . 2.62 1503 1046 A 15 GLN HA A 18 VAL HB 1.0 . 3.10 1504 1047 A 123 GLU H A 123 GLU HB2 1.0 . 4.10 1505 1048 A 124 LEU H A 123 GLU HB2 1.0 . 4.45 1506 1049 A 9 PHE HA A 40 LEU HB2 1.0 . 5.50 1507 1050 A 118 GLN H A 118 GLN HBy 1.0 . 3.70 1508 1051 A 88 ASP H A 87 ALA HB% 1.0 . 4.11 1509 1052 A 90 GLU HBy A 91 LEU H 1.0 . 4.19 1510 1053 A 23 GLU HBy A 24 LEU H 1.0 . 4.44 1511 1054 A 43 TRP HD1 A 24 LEU HDy% 1.0 . 5.30 1512 1055 A 24 LEU HDx% A 43 TRP HD1 1.0 . 5.30 1513 1056 A 32 THR H A 32 THR HG2% 1.0 . 3.73 1514 1057 A 77 VAL H A 80 MET HE% 1.0 . 5.38 1515 1058 A 21 PHE HE% A 40 LEU HD2% 1.0 . 4.82 1516 1059 A 96 GLU HA A 96 GLU HGx 1.0 . 3.44 1517 1059 A 96 GLU HGy A 96 GLU HA 1.0 . 3.44 1518 1060 A 25 LEU HA A 26 LYS HBx 1.0 . 5.50 1519 1060 A 25 LEU HA A 26 LYS HBy 1.0 . 5.50 1520 1061 A 113 TYR HA A 116 LEU HG 1.0 . 4.25 1521 1062 A 24 LEU HA A 24 LEU HDy% 1.0 . 4.93 1522 1063 A 79 LYS HA A 79 LYS HGx 1.0 . 4.25 1523 1063 A 79 LYS HGy A 79 LYS HA 1.0 . 4.25 1524 1064 A 30 THR HG2% A 30 THR HA 1.0 . 3.26 1525 1065 A 32 THR HG2% A 32 THR HA 1.0 . 3.67 1526 1066 A 52 LYS HA A 44 VAL HG1% 1.0 . 5.50 1527 1067 A 46 THR HG2% A 46 THR HA 1.0 . 3.33 1528 1068 A 109 ILE HG2% A 106 ALA HA 1.0 . 4.42 1529 1069 A 86 LYS HBx A 86 LYS HGx 1.0 . 2.43 1530 1069 A 86 LYS HGy A 86 LYS HBx 1.0 . 2.43 1531 1069 A 86 LYS HBy A 86 LYS HGy 1.0 . 2.43 1532 1069 A 86 LYS HBy A 86 LYS HGx 1.0 . 2.43 1533 1070 A 44 VAL HA A 47 LEU HD2% 1.0 . 4.77 1534 1071 A 124 LEU HDy% A 123 GLU HGy 1.0 . 4.26 1535 1071 A 123 GLU HGy A 124 LEU HDx% 1.0 . 4.26 1536 1072 A 116 LEU HDx% A 121 LYS HGy 1.0 . 5.41 1537 1072 A 116 LEU HDx% A 121 LYS HGx 1.0 . 5.41 1538 1073 A 53 ALA HB% A 52 LYS HEx 1.0 . 4.26 1539 1073 A 53 ALA HB% A 52 LYS HEy 1.0 . 4.26 1540 1074 A 112 ILE HG2% A 112 ILE HG1y 1.0 . 3.89 1541 1075 A 128 ILE HG2% A 128 ILE HG1y 1.0 . 3.44 1542 1076 A 121 LYS HGy A 116 LEU HDy% 1.0 . 5.41 1543 1076 A 116 LEU HDy% A 121 LYS HGx 1.0 . 5.41 1544 1077 A 44 VAL HA A 43 TRP HZ2 1.0 . 5.17 1545 1078 A 17 VAL HA A 20 ALA HB% 1.0 . 3.24 1546 1079 A 81 THR HA A 81 THR HG2% 1.0 . 3.25 1547 1080 A 40 LEU H A 37 GLU HA 1.0 . 3.77 1548 1081 A 80 MET HA A 79 LYS HGx 1.0 . 3.77 1549 1081 A 79 LYS HGy A 80 MET HA 1.0 . 3.77 1550 1082 A 42 ALA HA A 45 ASP HBx 1.0 . 3.96 1551 1083 A 42 ALA HA A 45 ASP HBy 1.0 . 3.96 1552 1084 A 89 ALA HA A 92 SER HBy 1.0 . 3.93 1553 1085 A 90 GLU HA A 103 ILE HD1% 1.0 . 5.37 1554 1086 A 112 ILE HG2% A 112 ILE HG1x 1.0 . 3.89 1555 1087 A 116 LEU H A 116 LEU HDy% 1.0 . 5.49 1556 1088 A 128 ILE HG1x A 128 ILE HG2% 1.0 . 3.44 1557 1089 A 72 ALA HA A 72 ALA H 1.0 . 2.94 1558 1090 A 108 LYS H A 108 LYS HBx 1.0 . 3.38 1559 1090 A 108 LYS HBy A 108 LYS H 1.0 . 3.38 1560 1091 A 121 LYS HA A 124 LEU HG 1.0 . 3.75 1561 1092 A 55 PHE H A 56 GLU H 1.0 . 3.86 1562 1093 A 55 PHE H A 54 LYS H 1.0 . 4.04 1563 1094 A 99 SER H A 98 ASP H 1.0 . 3.88 1564 1095 A 26 LYS H A 27 LYS H 1.0 . 4.52 1565 1096 A 21 PHE H A 23 GLU H 1.0 . 4.87 1566 1097 A 124 LEU H A 123 GLU H 1.0 . 3.71 1567 1098 A 122 ASP H A 121 LYS H 1.0 . 3.84 1568 1099 A 22 PHE H A 22 PHE HD% 1.0 . 4.06 1569 1100 A 115 THR H A 114 LYS H 1.0 . 4.06 1570 1101 A 19 LYS H A 18 VAL H 1.0 . 3.50 1571 1102 A 16 ASP H A 17 VAL H 1.0 . 3.53 1572 1103 A 51 TYR H A 50 ASP H 1.0 . 3.54 1573 1104 A 80 MET H A 79 LYS H 1.0 . 3.55 1574 1105 A 10 LEU H A 9 PHE H 1.0 . 3.85 1575 1106 A 21 PHE H A 21 PHE HD% 1.0 . 4.26 1576 1107 A 118 GLN H A 117 PRO HA 1.0 . 3.43 1577 1108 A 42 ALA H A 39 ASP HA 1.0 . 3.42 1578 1109 A 97 ASP HA A 98 ASP H 1.0 . 3.20 1579 1110 A 57 THR HB A 57 THR H 1.0 . 2.93 1580 1111 A 30 THR H A 28 ASP HA 1.0 . 4.61 1581 1112 A 116 LEU H A 115 THR HB 1.0 . 5.33 1582 1113 A 8 PRO HA A 11 ALA H 1.0 . 4.83 1583 1114 A 71 LYS HA A 71 LYS H 1.0 . 2.79 1584 1115 A 51 TYR HA A 50 ASP H 1.0 . 5.30 1585 1116 A 56 GLU H A 55 PHE HA 1.0 . 3.56 1586 1117 A 63 LYS HA A 64 ALA H 1.0 . 3.52 1587 1118 A 11 ALA HA A 12 GLY H 1.0 . 3.03 1588 1119 A 120 VAL HA A 123 GLU H 1.0 . 4.08 1589 1120 A 58 PHE H A 58 PHE HBy 1.0 . 3.76 1590 1121 A 122 ASP HBx A 123 GLU H 1.0 . 4.18 1591 1122 A 95 ALA H A 66 GLU HGx 1.0 . 5.05 1592 1122 A 95 ALA H A 66 GLU HGy 1.0 . 5.05 1593 1123 A 15 GLN H A 14 PRO HBy 1.0 . 4.07 1594 1124 A 125 GLU H A 125 GLU HGx 1.0 . 4.34 1595 1124 A 125 GLU H A 125 GLU HGy 1.0 . 4.34 1596 1125 A 119 SER H A 117 PRO HB3 1.0 . 4.49 1597 1126 A 35 GLU H A 35 GLU HBx 1.0 . 3.54 1598 1126 A 35 GLU H A 35 GLU HBy 1.0 . 3.54 1599 1127 A 74 GLU H A 74 GLU HBx 1.0 . 3.48 1600 1127 A 74 GLU H A 74 GLU HBy 1.0 . 3.48 1601 1128 A 17 VAL HB A 17 VAL H 1.0 . 3.19 1602 1129 A 54 LYS H A 54 LYS HBy 1.0 . 4.04 1603 1130 A 121 LYS H A 120 VAL HB 1.0 . 4.04 1604 1131 A 123 GLU HB3 A 123 GLU H 1.0 . 4.10 1605 1132 A 124 LEU H A 125 GLU HBx 1.0 . 4.18 1606 1132 A 124 LEU H A 125 GLU HBy 1.0 . 4.18 1607 1133 A 90 GLU H A 90 GLU HBx 1.0 . 4.04 1608 1134 A 23 GLU HBy A 23 GLU H 1.0 . 4.07 1609 1135 A 18 VAL H A 19 LYS HBx 1.0 . 4.88 1610 1135 A 18 VAL H A 19 LYS HBy 1.0 . 4.88 1611 1136 A 53 ALA H A 52 LYS HDx 1.0 . 4.30 1612 1136 A 53 ALA H A 52 LYS HDy 1.0 . 4.30 1613 1137 A 80 MET H A 79 LYS HGx 1.0 . 3.47 1614 1137 A 80 MET H A 79 LYS HGy 1.0 . 3.47 1615 1138 A 105 LYS H A 105 LYS HBx 1.0 . 3.64 1616 1139 A 59 LYS H A 59 LYS HBy 1.0 . 3.38 1617 1140 A 84 ALA HB% A 83 GLU H 1.0 . 4.78 1618 1141 A 54 LYS H A 53 ALA HB% 1.0 . 3.52 1619 1142 A 25 LEU H A 25 LEU HBy 1.0 . 3.91 1620 1143 A 87 ALA H A 87 ALA HB% 1.0 . 3.41 1621 1144 A 94 ILE H A 94 ILE HG1x 1.0 . 4.79 1622 1145 A 47 LEU H A 47 LEU HBx 1.0 . 4.11 1623 1146 A 3 THR HG2% A 3 THR H 1.0 . 4.41 1624 1147 A 25 LEU H A 24 LEU HBx 1.0 . 4.55 1625 1148 A 37 GLU H A 36 ILE HG2% 1.0 . 4.41 1626 1149 A 109 ILE H A 109 ILE HG2% 1.0 . 4.39 1627 1150 A 69 LEU H A 69 LEU HDx% 1.0 . 3.86 1628 1150 A 69 LEU HDy% A 69 LEU H 1.0 . 3.86 1629 1151 A 123 GLU H A 124 LEU HG 1.0 . 5.50 1630 1152 A 112 ILE HG2% A 113 TYR H 1.0 . 4.50 1631 1153 A 25 LEU H A 24 LEU HDy% 1.0 . 4.82 1632 1154 A 98 ASP H A 98 ASP HBy 1.0 . 3.93 1633 1155 A 116 LEU H A 116 LEU HDx% 1.0 . 5.49 1634 1156 A 70 ALA H A 69 LEU HA 1.0 . 3.55 1635 1157 A 36 ILE H A 36 ILE HG12 1.0 . 4.27 1636 1157 A 36 ILE H A 36 ILE HG13 1.0 . 4.27 1637 1158 A 100 LEU H A 98 ASP HA 1.0 . 5.14 1638 1159 A 100 LEU H A 100 LEU HDy% 1.0 . 4.10 1639 1160 A 19 LYS H A 20 ALA H 1.0 . 3.03 1640 1161 A 61 GLU H A 61 GLU HB3 1.0 . 2.82 1641 1162 A 94 ILE HA A 97 ASP H 1.0 . 4.34 1642 1163 A 93 LYS H A 93 LYS HBx 1.0 . 2.75 1643 1163 A 93 LYS HBy A 93 LYS H 1.0 . 2.75 1644 1164 A 33 ASP H A 32 THR HG2% 1.0 . 4.48 1645 1165 A 23 GLU H A 23 GLU HBx 1.0 . 4.07 1646 1166 A 44 VAL H A 43 TRP HZ2 1.0 . 5.50 1647 1167 A 131 ALA H A 130 PRO HBy 1.0 . 4.38 1648 1168 A 29 GLU H A 27 LYS H 1.0 . 4.98 1649 1169 A 45 ASP H A 45 ASP HBy 1.0 . 2.93 1650 1170 A 26 LYS H A 26 LYS HBx 1.0 . 2.61 1651 1170 A 26 LYS H A 26 LYS HBy 1.0 . 2.61 1652 1171 A 28 ASP H A 25 LEU HDx% 1.0 . 5.50 1653 1172 A 32 THR H A 31 LYS HDx 1.0 . 4.40 1654 1172 A 31 LYS HDy A 32 THR H 1.0 . 4.40 1655 1173 A 119 SER H A 117 PRO HB2 1.0 . 4.49 1656 1174 A 49 GLY H A 48 GLY HAx 1.0 . 3.55 1657 1175 A 85 LYS H A 86 LYS HGx 1.0 . 4.35 1658 1175 A 86 LYS HGy A 85 LYS H 1.0 . 4.35 1659 1176 A 54 LYS H A 54 LYS HBx 1.0 . 4.04 1660 1177 A 13 ALA HB% A 12 GLY H 1.0 . 5.50 1661 1178 A 23 GLU H A 24 LEU H 1.0 . 2.71 1662 1179 A 26 LYS H A 25 LEU HBx 1.0 . 3.49 1663 1180 A 36 ILE H A 36 ILE HD1% 1.0 . 4.84 1664 1181 A 41 ASP H A 43 TRP HD1 1.0 . 5.50 1665 1182 A 40 LEU H A 41 ASP H 1.0 . 3.56 1666 1183 A 42 ALA H A 43 TRP H 1.0 . 3.04 1667 1184 A 53 ALA H A 55 PHE H 1.0 . 4.90 1668 1185 A 40 LEU H A 40 LEU HG 1.0 . 4.11 1669 1186 A 57 THR H A 53 ALA HB% 1.0 . 4.70 1670 1187 A 59 LYS H A 59 LYS HBx 1.0 . 3.38 1671 1188 A 27 LYS H A 27 LYS HA 1.0 . 2.88 1672 1189 A 56 GLU H A 56 GLU HGx 1.0 . 2.96 1673 1189 A 56 GLU H A 56 GLU HGy 1.0 . 2.96 1674 1190 A 109 ILE H A 109 ILE HD1% 1.0 . 4.12 1675 1191 A 121 LYS H A 124 LEU HDx% 1.0 . 4.90 1676 1191 A 124 LEU HDy% A 121 LYS H 1.0 . 4.90 1677 1192 A 86 LYS H A 86 LYS HBx 1.0 . 2.55 1678 1192 A 86 LYS HBy A 86 LYS H 1.0 . 2.55 1679 1193 A 125 GLU H A 124 LEU HG 1.0 . 2.78 1680 1194 A 103 ILE H A 103 ILE HG2% 1.0 . 4.62 1681 1195 A 104 GLN HE21 A 104 GLN HG2 1.0 . 3.41 1682 1195 A 104 GLN HG3 A 104 GLN HE21 1.0 . 3.41 1683 1196 A 70 ALA H A 71 LYS H 1.0 . 3.47 1684 1197 A 108 LYS HA A 108 LYS H 1.0 . 2.90 1685 1198 A 104 GLN H A 104 GLN HBx 1.0 . 4.08 1686 1199 A 91 LEU H A 92 SER H 1.0 . 3.58 1687 1200 A 31 LYS H A 30 THR H 1.0 . 2.94 1688 1201 A 75 GLU H A 74 GLU HGx 1.0 . 4.10 1689 1201 A 75 GLU H A 74 GLU HGy 1.0 . 4.10 1690 1202 A 75 GLU HBy A 76 ALA H 1.0 . 3.22 1691 1203 A 75 GLU H A 74 GLU HBx 1.0 . 4.05 1692 1203 A 75 GLU H A 74 GLU HBy 1.0 . 4.05 1693 1204 A 75 GLU H A 76 ALA H 1.0 . 3.88 1694 1205 A 105 LYS H A 105 LYS HGy 1.0 . 4.61 1695 1206 A 118 GLN H A 121 LYS HBx 1.0 . 4.93 1696 1206 A 118 GLN H A 121 LYS HBy 1.0 . 4.93 1697 1207 A 52 LYS H A 49 GLY H 1.0 . 5.10 1698 1208 A 92 SER H A 93 LYS HGx 1.0 . 4.01 1699 1208 A 92 SER H A 93 LYS HGy 1.0 . 4.01 1700 1209 A 25 LEU H A 24 LEU HDx% 1.0 . 4.82 1701 1210 A 32 THR HB A 32 THR H 1.0 . 3.81 1702 1211 A 44 VAL H A 47 LEU HG 1.0 . 5.50 1703 1212 A 109 ILE H A 110 GLN H 1.0 . 4.23 1704 1213 A 57 THR HB A 54 LYS HA 1.0 . 3.52 1705 1214 A 34 PRO HA A 62 MET HA 1.0 . 5.34 1706 1215 A 109 ILE HA A 109 ILE HD1% 1.0 . 5.41 1707 1216 A 11 ALA HB% A 8 PRO HA 1.0 . 5.01 1708 1217 A 43 TRP HA A 43 TRP HD1 1.0 . 4.49 1709 1218 A 3 THR HB A 4 PRO HDy 1.0 . 2.93 1710 1218 A 3 THR HB A 4 PRO HDx 1.0 . 2.93 1711 1219 A 3 THR HG2% A 4 PRO HDy 1.0 . 3.67 1712 1219 A 3 THR HG2% A 4 PRO HDx 1.0 . 3.67 1713 1220 A 37 GLU HA A 9 PHE HBx 1.0 . 4.72 1714 1220 A 9 PHE HBy A 37 GLU HA 1.0 . 4.72 1715 1221 A 9 PHE HBy A 37 GLU HBx 1.0 . 5.34 1716 1221 A 9 PHE HBx A 37 GLU HBx 1.0 . 5.34 1717 1221 A 37 GLU HBy A 9 PHE HBx 1.0 . 5.34 1718 1221 A 37 GLU HBy A 9 PHE HBy 1.0 . 5.34 1719 1222 A 9 PHE HBx A 40 LEU HB2 1.0 . 4.22 1720 1222 A 9 PHE HBy A 40 LEU HB2 1.0 . 4.22 1721 1223 A 10 LEU H A 10 LEU HBx 1.0 . 3.56 1722 1223 A 10 LEU H A 10 LEU HBy 1.0 . 3.56 1723 1224 A 10 LEU H A 10 LEU HDy% 1.0 . 3.56 1724 1224 A 10 LEU H A 10 LEU HDx% 1.0 . 3.56 1725 1225 A 10 LEU HA A 10 LEU HDy% 1.0 . 3.62 1726 1225 A 10 LEU HA A 10 LEU HDx% 1.0 . 3.62 1727 1226 A 12 GLY H A 10 LEU HBx 1.0 . 5.34 1728 1226 A 12 GLY H A 10 LEU HBy 1.0 . 5.34 1729 1227 A 11 ALA H A 10 LEU HDy% 1.0 . 4.59 1730 1227 A 10 LEU HDx% A 11 ALA H 1.0 . 4.59 1731 1228 A 11 ALA HB% A 12 GLY HAx 1.0 . 5.34 1732 1228 A 11 ALA HB% A 12 GLY HAy 1.0 . 5.34 1733 1229 A 15 GLN H A 14 PRO HBy 1.0 . 3.19 1734 1229 A 15 GLN H A 14 PRO HBx 1.0 . 3.19 1735 1230 A 15 GLN HA A 15 GLN HBx 1.0 . 2.40 1736 1230 A 15 GLN HA A 15 GLN HBy 1.0 . 2.40 1737 1231 A 18 VAL H A 18 VAL HGy% 1.0 . 3.72 1738 1231 A 18 VAL H A 18 VAL HGx% 1.0 . 3.72 1739 1232 A 19 LYS HA A 18 VAL HGy% 1.0 . 5.43 1740 1232 A 19 LYS HA A 18 VAL HGx% 1.0 . 5.43 1741 1233 A 24 LEU H A 23 GLU HBx 1.0 . 3.82 1742 1233 A 23 GLU HBy A 24 LEU H 1.0 . 3.82 1743 1234 A 25 LEU H A 24 LEU HBx 1.0 . 3.87 1744 1234 A 25 LEU H A 24 LEU HBy 1.0 . 3.87 1745 1235 A 25 LEU HA A 25 LEU HDy% 1.0 . 3.44 1746 1235 A 25 LEU HA A 25 LEU HDx% 1.0 . 3.44 1747 1236 A 34 PRO HA A 62 MET HBy 1.0 . 4.06 1748 1236 A 34 PRO HA A 62 MET HBx 1.0 . 4.06 1749 1237 A 62 MET HA A 34 PRO HBx 1.0 . 4.04 1750 1237 A 62 MET HA A 34 PRO HBy 1.0 . 4.04 1751 1238 A 40 LEU H A 41 ASP HB3 1.0 . 5.34 1752 1238 A 41 ASP HB2 A 40 LEU H 1.0 . 5.34 1753 1239 A 41 ASP H A 41 ASP HB3 1.0 . 3.32 1754 1239 A 41 ASP HB2 A 41 ASP H 1.0 . 3.32 1755 1240 A 42 ALA HA A 41 ASP HB3 1.0 . 4.50 1756 1240 A 42 ALA HA A 41 ASP HB2 1.0 . 4.50 1757 1241 A 44 VAL HA A 47 LEU HBx 1.0 . 3.47 1758 1241 A 44 VAL HA A 47 LEU HBy 1.0 . 3.47 1759 1242 A 48 GLY H A 49 GLY HAx 1.0 . 4.69 1760 1242 A 48 GLY H A 49 GLY HAy 1.0 . 4.69 1761 1243 A 50 ASP H A 50 ASP HBy 1.0 . 3.52 1762 1243 A 50 ASP H A 50 ASP HBx 1.0 . 3.52 1763 1244 A 56 GLU HA A 59 LYS HEx 1.0 . 3.82 1764 1244 A 56 GLU HA A 59 LYS HEy 1.0 . 3.82 1765 1245 A 59 LYS HA A 59 LYS HGx 1.0 . 3.57 1766 1245 A 59 LYS HA A 59 LYS HGy 1.0 . 3.57 1767 1246 A 60 LYS H A 59 LYS HBy 1.0 . 3.55 1768 1246 A 60 LYS H A 59 LYS HBx 1.0 . 3.55 1769 1247 A 66 GLU HA A 69 LEU HB2 1.0 . 2.77 1770 1247 A 69 LEU HB3 A 66 GLU HA 1.0 . 2.77 1771 1248 A 74 GLU H A 77 VAL HGy% 1.0 . 4.33 1772 1248 A 74 GLU H A 77 VAL HGx% 1.0 . 4.33 1773 1249 A 74 GLU HGx A 77 VAL HGy% 1.0 . 4.86 1774 1249 A 74 GLU HGy A 77 VAL HGy% 1.0 . 4.86 1775 1249 A 77 VAL HGx% A 74 GLU HGx 1.0 . 4.86 1776 1249 A 77 VAL HGx% A 74 GLU HGy 1.0 . 4.86 1777 1250 A 75 GLU H A 75 GLU HBx 1.0 . 3.23 1778 1250 A 75 GLU H A 75 GLU HBy 1.0 . 3.23 1779 1251 A 76 ALA H A 75 GLU HBx 1.0 . 2.75 1780 1251 A 75 GLU HBy A 76 ALA H 1.0 . 2.75 1781 1252 A 76 ALA HA A 77 VAL HGy% 1.0 . 5.39 1782 1252 A 77 VAL HGx% A 76 ALA HA 1.0 . 5.39 1783 1253 A 77 VAL HA A 77 VAL HGy% 1.0 . 2.76 1784 1253 A 77 VAL HGx% A 77 VAL HA 1.0 . 2.76 1785 1254 A 85 LYS HA A 77 VAL HGy% 1.0 . 4.57 1786 1254 A 77 VAL HGx% A 85 LYS HA 1.0 . 4.57 1787 1255 A 83 GLU H A 82 PRO HBx 1.0 . 3.43 1788 1255 A 83 GLU H A 82 PRO HBy 1.0 . 3.43 1789 1256 A 83 GLU H A 83 GLU HBx 1.0 . 3.47 1790 1256 A 83 GLU H A 83 GLU HBy 1.0 . 3.47 1791 1257 A 84 ALA H A 83 GLU HBx 1.0 . 3.57 1792 1257 A 84 ALA H A 83 GLU HBy 1.0 . 3.57 1793 1258 A 83 GLU HGy A 86 LYS HGx 1.0 . 5.34 1794 1258 A 83 GLU HGx A 86 LYS HGx 1.0 . 5.34 1795 1258 A 86 LYS HGy A 83 GLU HGy 1.0 . 5.34 1796 1258 A 86 LYS HGy A 83 GLU HGx 1.0 . 5.34 1797 1259 A 89 ALA HB% A 85 LYS HEx 1.0 . 3.75 1798 1259 A 89 ALA HB% A 85 LYS HEy 1.0 . 3.75 1799 1260 A 87 ALA HA A 90 GLU HBx 1.0 . 3.39 1800 1260 A 90 GLU HBy A 87 ALA HA 1.0 . 3.39 1801 1261 A 89 ALA HA A 92 SER HBy 1.0 . 3.15 1802 1261 A 92 SER HBx A 89 ALA HA 1.0 . 3.15 1803 1262 A 90 GLU H A 90 GLU HBx 1.0 . 3.53 1804 1262 A 90 GLU HBy A 90 GLU H 1.0 . 3.53 1805 1263 A 90 GLU HA A 90 GLU HBx 1.0 . 2.41 1806 1263 A 90 GLU HA A 90 GLU HBy 1.0 . 2.41 1807 1264 A 91 LEU H A 91 LEU HDx% 1.0 . 5.04 1808 1264 A 91 LEU H A 91 LEU HD21 1.0 . 5.04 1809 1265 A 91 LEU HBy A 92 SER HBy 1.0 . 4.30 1810 1265 A 91 LEU HBx A 92 SER HBy 1.0 . 4.30 1811 1265 A 92 SER HBx A 91 LEU HBx 1.0 . 4.30 1812 1265 A 91 LEU HBy A 92 SER HBx 1.0 . 4.30 1813 1266 A 94 ILE H A 92 SER HBy 1.0 . 5.34 1814 1266 A 94 ILE H A 92 SER HBx 1.0 . 5.34 1815 1267 A 95 ALA H A 96 GLU HBx 1.0 . 5.01 1816 1267 A 95 ALA H A 96 GLU HBy 1.0 . 5.01 1817 1268 A 97 ASP H A 97 ASP HBy 1.0 . 3.61 1818 1268 A 97 ASP HBx A 97 ASP H 1.0 . 3.61 1819 1269 A 100 LEU H A 99 SER HBy 1.0 . 3.54 1820 1269 A 100 LEU H A 99 SER HBx 1.0 . 3.54 1821 1270 A 100 LEU HA A 100 LEU HDy% 1.0 . 2.96 1822 1270 A 100 LEU HDx% A 100 LEU HA 1.0 . 2.96 1823 1271 A 102 GLY HAx A 105 LYS HBy 1.0 . 4.05 1824 1271 A 105 LYS HBx A 102 GLY HAx 1.0 . 4.05 1825 1271 A 102 GLY HAy A 105 LYS HBx 1.0 . 4.05 1826 1271 A 102 GLY HAy A 105 LYS HBy 1.0 . 4.05 1827 1272 A 105 LYS H A 105 LYS HBy 1.0 . 2.95 1828 1272 A 105 LYS H A 105 LYS HBx 1.0 . 2.95 1829 1273 A 112 ILE H A 112 ILE HG1y 1.0 . 3.38 1830 1273 A 112 ILE H A 112 ILE HG1x 1.0 . 3.38 1831 1274 A 116 LEU HA A 116 LEU HDy% 1.0 . 3.42 1832 1274 A 116 LEU HDx% A 116 LEU HA 1.0 . 3.42 1833 1275 A 116 LEU HDx% A 121 LYS HGx 1.0 . 4.21 1834 1275 A 116 LEU HDy% A 121 LYS HGx 1.0 . 4.21 1835 1275 A 121 LYS HGy A 116 LEU HDy% 1.0 . 4.21 1836 1275 A 116 LEU HDx% A 121 LYS HGy 1.0 . 4.21 1837 1276 A 118 GLN HGy A 118 GLN HE2x 1.0 . 3.21 1838 1276 A 118 GLN HE2x A 118 GLN HGx 1.0 . 3.21 1839 1276 A 118 GLN HE2y A 118 GLN HGy 1.0 . 3.21 1840 1276 A 118 GLN HE2y A 118 GLN HGx 1.0 . 3.21 1841 1277 A 120 VAL HA A 120 VAL HG2% 1.0 . 2.61 1842 1277 A 120 VAL HA A 120 VAL HG1% 1.0 . 2.61 1843 1278 A 122 ASP H A 122 ASP HBy 1.0 . 3.40 1844 1278 A 122 ASP H A 122 ASP HBx 1.0 . 3.40 1845 1279 A 123 GLU H A 122 ASP HBy 1.0 . 3.55 1846 1279 A 122 ASP HBx A 123 GLU H 1.0 . 3.55 1847 1280 A 123 GLU H A 123 GLU HGy 1.0 . 3.35 1848 1280 A 123 GLU H A 123 GLU HGx 1.0 . 3.35 1849 1281 A 124 LEU HA A 123 GLU HGy 1.0 . 4.44 1850 1281 A 124 LEU HA A 123 GLU HGx 1.0 . 4.44 1851 1282 A 131 ALA H A 130 PRO HBy 1.0 . 3.74 1852 1282 A 130 PRO HBx A 131 ALA H 1.0 . 3.74 1853 1283 A 134 GLN H A 133 PRO HBx 1.0 . 3.91 1854 1283 A 134 GLN H A 133 PRO HBy 1.0 . 3.91 1855 1284 A 134 GLN H A 133 PRO HGx 1.0 . 4.08 1856 1284 A 134 GLN H A 133 PRO HGy 1.0 . 4.08 1857 1285 A 32 THR HG2% A 61 GLU HG2 1.0 . 7.40 1858 1285 A 61 GLU HG3 A 32 THR HG2% 1.0 . 7.40 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 3 THR HB A 4 PRO HG2 1.0 . 3.82 2 1 A 3 THR HB A 4 PRO HG3 1.0 . 3.82 3 2 A 32 THR HB A 4 PRO HBx 1.0 . 4.64 4 2 A 32 THR HB A 4 PRO HBy 1.0 . 4.64 5 3 A 4 PRO HBx A 34 PRO HD3 1.0 . 4.88 6 3 A 4 PRO HBy A 34 PRO HD3 1.0 . 4.88 7 3 A 34 PRO HD2 A 4 PRO HBx 1.0 . 4.88 8 3 A 34 PRO HD2 A 4 PRO HBy 1.0 . 4.88 9 4 A 11 ALA H A 8 PRO HBx 1.0 . 4.04 10 4 A 11 ALA H A 8 PRO HBy 1.0 . 4.04 11 5 A 11 ALA HA A 8 PRO HBx 1.0 . 4.32 12 5 A 11 ALA HA A 8 PRO HBy 1.0 . 4.32 13 6 A 10 LEU H A 40 LEU HB2 1.0 . 4.23 14 6 A 10 LEU H A 40 LEU HB3 1.0 . 4.23 15 7 A 10 LEU H A 40 LEU HD2% 1.0 . 5.44 16 7 A 10 LEU H A 40 LEU HD1% 1.0 . 5.44 17 8 A 10 LEU HBy A 17 VAL HG2% 1.0 . 5.06 18 8 A 10 LEU HBx A 17 VAL HG2% 1.0 . 5.06 19 8 A 17 VAL HG1% A 10 LEU HBx 1.0 . 5.06 20 8 A 17 VAL HG1% A 10 LEU HBy 1.0 . 5.06 21 9 A 10 LEU HDy% A 17 VAL HG2% 1.0 . 3.63 22 9 A 10 LEU HDx% A 17 VAL HG2% 1.0 . 3.63 23 9 A 17 VAL HG1% A 10 LEU HDy% 1.0 . 3.63 24 9 A 10 LEU HDx% A 17 VAL HG1% 1.0 . 3.63 25 10 A 10 LEU HDx% A 21 PHE HBx 1.0 . 4.12 26 10 A 10 LEU HDy% A 21 PHE HBx 1.0 . 4.12 27 10 A 21 PHE HBy A 10 LEU HDy% 1.0 . 4.12 28 10 A 10 LEU HDx% A 21 PHE HBy 1.0 . 4.12 29 11 A 12 GLY H A 17 VAL HG2% 1.0 . 5.44 30 11 A 12 GLY H A 17 VAL HG1% 1.0 . 5.44 31 12 A 13 ALA HA A 14 PRO HD3 1.0 . 2.64 32 12 A 13 ALA HA A 14 PRO HD2 1.0 . 2.64 33 13 A 13 ALA HA A 17 VAL HG2% 1.0 . 4.18 34 13 A 13 ALA HA A 17 VAL HG1% 1.0 . 4.18 35 14 A 13 ALA HB% A 17 VAL HG2% 1.0 . 3.54 36 14 A 13 ALA HB% A 17 VAL HG1% 1.0 . 3.54 37 15 A 15 GLN H A 14 PRO HBy 1.0 . 3.19 38 15 A 15 GLN H A 14 PRO HBx 1.0 . 3.19 39 16 A 16 ASP H A 14 PRO HBy 1.0 . 3.77 40 16 A 16 ASP H A 14 PRO HBx 1.0 . 3.77 41 17 A 14 PRO HGy A 17 VAL HG2% 1.0 . 3.89 42 17 A 14 PRO HGx A 17 VAL HG2% 1.0 . 3.89 43 17 A 17 VAL HG1% A 14 PRO HGx 1.0 . 3.89 44 17 A 17 VAL HG1% A 14 PRO HGy 1.0 . 3.89 45 18 A 17 VAL H A 14 PRO HD3 1.0 . 4.16 46 18 A 17 VAL H A 14 PRO HD2 1.0 . 4.16 47 19 A 14 PRO HD3 A 17 VAL HG2% 1.0 . 3.55 48 19 A 14 PRO HD2 A 17 VAL HG2% 1.0 . 3.55 49 19 A 17 VAL HG1% A 14 PRO HD3 1.0 . 3.55 50 19 A 17 VAL HG1% A 14 PRO HD2 1.0 . 3.55 51 20 A 16 ASP H A 17 VAL HG2% 1.0 . 4.80 52 20 A 16 ASP H A 17 VAL HG1% 1.0 . 4.80 53 21 A 16 ASP HA A 19 LYS HG2 1.0 . 4.78 54 21 A 16 ASP HA A 19 LYS HG3 1.0 . 4.78 55 22 A 17 VAL H A 17 VAL HG2% 1.0 . 3.40 56 22 A 17 VAL HG1% A 17 VAL H 1.0 . 3.40 57 23 A 17 VAL HA A 17 VAL HG2% 1.0 . 2.50 58 23 A 17 VAL HA A 17 VAL HG1% 1.0 . 2.50 59 24 A 18 VAL H A 17 VAL HG2% 1.0 . 4.12 60 24 A 18 VAL H A 17 VAL HG1% 1.0 . 4.12 61 25 A 19 LYS H A 17 VAL HG2% 1.0 . 5.44 62 25 A 19 LYS H A 17 VAL HG1% 1.0 . 5.44 63 26 A 20 ALA HB% A 17 VAL HG2% 1.0 . 4.52 64 26 A 20 ALA HB% A 17 VAL HG1% 1.0 . 4.52 65 27 A 17 VAL HG2% A 47 LEU HD2% 1.0 . 3.13 66 27 A 17 VAL HG1% A 47 LEU HD2% 1.0 . 3.13 67 27 A 47 LEU HD1% A 17 VAL HG2% 1.0 . 3.13 68 27 A 47 LEU HD1% A 17 VAL HG1% 1.0 . 3.13 69 28 A 17 VAL HG2% A 47 LEU HD2% 1.0 . 3.13 70 28 A 17 VAL HG1% A 47 LEU HD2% 1.0 . 3.13 71 28 A 47 LEU HD1% A 17 VAL HG2% 1.0 . 3.13 72 28 A 47 LEU HD1% A 17 VAL HG1% 1.0 . 3.13 73 29 A 18 VAL HA A 21 PHE HBx 1.0 . 4.08 74 29 A 18 VAL HA A 21 PHE HBy 1.0 . 4.08 75 30 A 19 LYS H A 22 PHE HB2 1.0 . 4.71 76 30 A 19 LYS H A 22 PHE HB3 1.0 . 4.71 77 31 A 19 LYS HA A 19 LYS HG2 1.0 . 3.35 78 31 A 19 LYS HA A 19 LYS HG3 1.0 . 3.35 79 32 A 19 LYS HA A 22 PHE HB2 1.0 . 3.56 80 32 A 19 LYS HA A 22 PHE HB3 1.0 . 3.56 81 33 A 20 ALA HA A 19 LYS HG2 1.0 . 3.41 82 33 A 20 ALA HA A 19 LYS HG3 1.0 . 3.41 83 34 A 22 PHE H A 21 PHE HBx 1.0 . 3.39 84 34 A 21 PHE HBy A 22 PHE H 1.0 . 3.39 85 35 A 21 PHE HBx A 24 LEU HDy% 1.0 . 4.55 86 35 A 24 LEU HDx% A 21 PHE HBx 1.0 . 4.55 87 35 A 21 PHE HBy A 24 LEU HDx% 1.0 . 4.55 88 35 A 21 PHE HBy A 24 LEU HDy% 1.0 . 4.55 89 36 A 21 PHE HD% A 40 LEU HD2% 1.0 . 4.10 90 36 A 21 PHE HD% A 40 LEU HD1% 1.0 . 4.10 91 37 A 21 PHE HE% A 40 LEU HD2% 1.0 . 4.19 92 37 A 21 PHE HE% A 40 LEU HD1% 1.0 . 4.19 93 38 A 22 PHE H A 22 PHE HB2 1.0 . 3.28 94 38 A 22 PHE H A 22 PHE HB3 1.0 . 3.28 95 39 A 23 GLU H A 22 PHE HB2 1.0 . 2.91 96 39 A 23 GLU H A 22 PHE HB3 1.0 . 2.91 97 40 A 24 LEU H A 24 LEU HDy% 1.0 . 4.01 98 40 A 24 LEU H A 24 LEU HDx% 1.0 . 4.01 99 41 A 24 LEU HA A 24 LEU HDy% 1.0 . 3.74 100 41 A 24 LEU HA A 24 LEU HDx% 1.0 . 3.74 101 42 A 40 LEU H A 24 LEU HDy% 1.0 . 4.83 102 42 A 40 LEU H A 24 LEU HDx% 1.0 . 4.83 103 43 A 24 LEU HDx% A 40 LEU HD2% 1.0 . 3.31 104 43 A 24 LEU HDy% A 40 LEU HD2% 1.0 . 3.31 105 43 A 40 LEU HD1% A 24 LEU HDy% 1.0 . 3.31 106 43 A 40 LEU HD1% A 24 LEU HDx% 1.0 . 3.31 107 44 A 24 LEU HDx% A 43 TRP HB2 1.0 . 3.64 108 44 A 24 LEU HDy% A 43 TRP HB2 1.0 . 3.64 109 44 A 43 TRP HB3 A 24 LEU HDy% 1.0 . 3.64 110 44 A 24 LEU HDx% A 43 TRP HB3 1.0 . 3.64 111 45 A 43 TRP HD1 A 24 LEU HDy% 1.0 . 4.37 112 45 A 24 LEU HDx% A 43 TRP HD1 1.0 . 4.37 113 46 A 31 LYS H A 31 LYS HBx 1.0 . 3.51 114 46 A 31 LYS H A 31 LYS HBy 1.0 . 3.51 115 47 A 32 THR H A 31 LYS HBx 1.0 . 3.42 116 47 A 32 THR H A 31 LYS HBy 1.0 . 3.42 117 48 A 35 GLU H A 31 LYS HBx 1.0 . 4.36 118 48 A 35 GLU H A 31 LYS HBy 1.0 . 4.36 119 49 A 32 THR HA A 34 PRO HD3 1.0 . 3.78 120 49 A 34 PRO HD2 A 32 THR HA 1.0 . 3.78 121 50 A 32 THR HB A 34 PRO HD3 1.0 . 3.08 122 50 A 32 THR HB A 34 PRO HD2 1.0 . 3.08 123 51 A 33 ASP H A 34 PRO HD3 1.0 . 4.09 124 51 A 34 PRO HD2 A 33 ASP H 1.0 . 4.09 125 52 A 33 ASP HBy A 34 PRO HD3 1.0 . 2.92 126 52 A 33 ASP HBx A 34 PRO HD3 1.0 . 2.92 127 52 A 34 PRO HD2 A 33 ASP HBx 1.0 . 2.92 128 52 A 34 PRO HD2 A 33 ASP HBy 1.0 . 2.92 129 53 A 33 ASP HBy A 34 PRO HD3 1.0 . 2.92 130 53 A 33 ASP HBx A 34 PRO HD3 1.0 . 2.92 131 53 A 34 PRO HD2 A 33 ASP HBx 1.0 . 2.92 132 53 A 34 PRO HD2 A 33 ASP HBy 1.0 . 2.92 133 54 A 35 GLU H A 34 PRO HD3 1.0 . 4.27 134 54 A 34 PRO HD2 A 35 GLU H 1.0 . 4.27 135 55 A 34 PRO HD3 A 37 GLU HGx 1.0 . 5.35 136 55 A 37 GLU HGy A 34 PRO HD3 1.0 . 5.35 137 55 A 34 PRO HD2 A 37 GLU HGy 1.0 . 5.35 138 55 A 34 PRO HD2 A 37 GLU HGx 1.0 . 5.35 139 56 A 36 ILE H A 40 LEU HD2% 1.0 . 5.34 140 56 A 36 ILE H A 40 LEU HD1% 1.0 . 5.34 141 57 A 36 ILE HA A 40 LEU HD2% 1.0 . 4.64 142 57 A 36 ILE HA A 40 LEU HD1% 1.0 . 4.64 143 58 A 36 ILE HB A 40 LEU HD2% 1.0 . 4.36 144 58 A 36 ILE HB A 40 LEU HD1% 1.0 . 4.36 145 59 A 36 ILE HG13 A 40 LEU HD2% 1.0 . 4.44 146 59 A 36 ILE HG12 A 40 LEU HD2% 1.0 . 4.44 147 59 A 40 LEU HD1% A 36 ILE HG12 1.0 . 4.44 148 59 A 40 LEU HD1% A 36 ILE HG13 1.0 . 4.44 149 60 A 37 GLU HA A 40 LEU HD2% 1.0 . 4.32 150 60 A 40 LEU HD1% A 37 GLU HA 1.0 . 4.32 151 61 A 40 LEU H A 40 LEU HB2 1.0 . 3.36 152 61 A 40 LEU H A 40 LEU HB3 1.0 . 3.36 153 62 A 40 LEU H A 40 LEU HD2% 1.0 . 4.16 154 62 A 40 LEU H A 40 LEU HD1% 1.0 . 4.16 155 63 A 40 LEU HA A 43 TRP HB2 1.0 . 4.62 156 63 A 40 LEU HA A 43 TRP HB3 1.0 . 4.62 157 64 A 44 VAL H A 40 LEU HB2 1.0 . 4.76 158 64 A 44 VAL H A 40 LEU HB3 1.0 . 4.76 159 65 A 43 TRP HD1 A 40 LEU HD2% 1.0 . 3.65 160 65 A 40 LEU HD1% A 43 TRP HD1 1.0 . 3.65 161 66 A 43 TRP HZ2 A 40 LEU HD2% 1.0 . 4.68 162 66 A 43 TRP HZ2 A 40 LEU HD1% 1.0 . 4.68 163 67 A 43 TRP HH2 A 40 LEU HD2% 1.0 . 4.74 164 67 A 43 TRP HH2 A 40 LEU HD1% 1.0 . 4.74 165 68 A 41 ASP HA A 44 VAL HG2% 1.0 . 4.28 166 68 A 41 ASP HA A 44 VAL HG1% 1.0 . 4.28 167 69 A 41 ASP HB2 A 44 VAL HG2% 1.0 . 3.77 168 69 A 41 ASP HB3 A 44 VAL HG2% 1.0 . 3.77 169 69 A 44 VAL HG1% A 41 ASP HB3 1.0 . 3.77 170 69 A 44 VAL HG1% A 41 ASP HB2 1.0 . 3.77 171 70 A 43 TRP H A 43 TRP HB2 1.0 . 3.44 172 70 A 43 TRP H A 43 TRP HB3 1.0 . 3.44 173 71 A 44 VAL H A 43 TRP HB2 1.0 . 3.78 174 71 A 44 VAL H A 43 TRP HB3 1.0 . 3.78 175 72 A 44 VAL HA A 43 TRP HB2 1.0 . 4.87 176 72 A 44 VAL HA A 43 TRP HB3 1.0 . 4.87 177 73 A 45 ASP H A 43 TRP HB2 1.0 . 5.34 178 73 A 45 ASP H A 43 TRP HB3 1.0 . 5.34 179 74 A 43 TRP HE1 A 47 LEU HD2% 1.0 . 4.74 180 74 A 43 TRP HE1 A 47 LEU HD1% 1.0 . 4.74 181 75 A 43 TRP HH2 A 47 LEU HD2% 1.0 . 4.46 182 75 A 43 TRP HH2 A 47 LEU HD1% 1.0 . 4.46 183 76 A 44 VAL H A 44 VAL HG2% 1.0 . 3.68 184 76 A 44 VAL H A 44 VAL HG1% 1.0 . 3.68 185 77 A 44 VAL H A 47 LEU HD2% 1.0 . 5.44 186 77 A 44 VAL H A 47 LEU HD1% 1.0 . 5.44 187 78 A 44 VAL HA A 47 LEU HD2% 1.0 . 3.77 188 78 A 44 VAL HA A 47 LEU HD1% 1.0 . 3.77 189 79 A 47 LEU H A 44 VAL HG2% 1.0 . 3.80 190 79 A 47 LEU H A 44 VAL HG1% 1.0 . 3.80 191 80 A 44 VAL HG1% A 47 LEU HD2% 1.0 . 4.17 192 80 A 44 VAL HG2% A 47 LEU HD2% 1.0 . 4.17 193 80 A 47 LEU HD1% A 44 VAL HG2% 1.0 . 4.17 194 80 A 44 VAL HG1% A 47 LEU HD1% 1.0 . 4.17 195 81 A 44 VAL HG1% A 47 LEU HD2% 1.0 . 4.17 196 81 A 44 VAL HG2% A 47 LEU HD2% 1.0 . 4.17 197 81 A 47 LEU HD1% A 44 VAL HG2% 1.0 . 4.17 198 81 A 44 VAL HG1% A 47 LEU HD1% 1.0 . 4.17 199 82 A 52 LYS HA A 44 VAL HG2% 1.0 . 4.22 200 82 A 52 LYS HA A 44 VAL HG1% 1.0 . 4.22 201 83 A 44 VAL HG1% A 55 PHE HBx 1.0 . 3.63 202 83 A 44 VAL HG2% A 55 PHE HBx 1.0 . 3.63 203 83 A 55 PHE HBy A 44 VAL HG2% 1.0 . 3.63 204 83 A 44 VAL HG1% A 55 PHE HBy 1.0 . 3.63 205 84 A 44 VAL HG1% A 55 PHE HBx 1.0 . 3.63 206 84 A 44 VAL HG2% A 55 PHE HBx 1.0 . 3.63 207 84 A 55 PHE HBy A 44 VAL HG2% 1.0 . 3.63 208 84 A 44 VAL HG1% A 55 PHE HBy 1.0 . 3.63 209 85 A 55 PHE HD% A 44 VAL HG2% 1.0 . 4.54 210 85 A 44 VAL HG1% A 55 PHE HD% 1.0 . 4.54 211 86 A 46 THR H A 47 LEU HD2% 1.0 . 5.22 212 86 A 46 THR H A 47 LEU HD1% 1.0 . 5.22 213 87 A 47 LEU HA A 47 LEU HD2% 1.0 . 3.76 214 87 A 47 LEU HA A 47 LEU HD1% 1.0 . 3.76 215 88 A 48 GLY H A 47 LEU HD2% 1.0 . 4.55 216 88 A 48 GLY H A 47 LEU HD1% 1.0 . 4.55 217 89 A 51 TYR HE% A 47 LEU HD2% 1.0 . 5.44 218 89 A 47 LEU HD1% A 51 TYR HE% 1.0 . 5.44 219 90 A 53 ALA H A 56 GLU HB2 1.0 . 5.23 220 90 A 53 ALA H A 56 GLU HB3 1.0 . 5.23 221 91 A 53 ALA HA A 56 GLU HB2 1.0 . 3.52 222 91 A 53 ALA HA A 56 GLU HB3 1.0 . 3.52 223 92 A 56 GLU H A 56 GLU HB2 1.0 . 3.25 224 92 A 56 GLU H A 56 GLU HB3 1.0 . 3.25 225 93 A 58 PHE HA A 61 GLU HB2 1.0 . 4.16 226 93 A 58 PHE HA A 61 GLU HB3 1.0 . 4.16 227 94 A 61 GLU H A 61 GLU HB2 1.0 . 2.27 228 94 A 61 GLU H A 61 GLU HB3 1.0 . 2.27 229 95 A 61 GLU HA A 61 GLU HB2 1.0 . 2.44 230 95 A 61 GLU HA A 61 GLU HB3 1.0 . 2.44 231 96 A 83 GLU H A 82 PRO HD3 1.0 . 4.05 232 96 A 82 PRO HD2 A 83 GLU H 1.0 . 4.05 233 97 A 82 PRO HD3 A 83 GLU HGy 1.0 . 4.75 234 97 A 82 PRO HD2 A 83 GLU HGy 1.0 . 4.75 235 97 A 83 GLU HGx A 82 PRO HD3 1.0 . 4.75 236 97 A 82 PRO HD2 A 83 GLU HGx 1.0 . 4.75 237 98 A 84 ALA H A 82 PRO HD3 1.0 . 4.04 238 98 A 82 PRO HD2 A 84 ALA H 1.0 . 4.04 239 99 A 103 ILE H A 103 ILE HG1x 1.0 . 3.93 240 99 A 103 ILE H A 103 ILE HG1y 1.0 . 3.93 241 100 A 103 ILE HA A 103 ILE HG1x 1.0 . 3.66 242 100 A 103 ILE HA A 103 ILE HG1y 1.0 . 3.66 243 101 A 103 ILE HG2% A 103 ILE HG1x 1.0 . 2.80 244 101 A 103 ILE HG2% A 103 ILE HG1y 1.0 . 2.80 245 102 A 104 GLN HE21 A 104 GLN HG2 1.0 . 2.57 246 102 A 104 GLN HG3 A 104 GLN HE21 1.0 . 2.57 247 102 A 104 GLN HG3 A 104 GLN HE22 1.0 . 2.57 248 102 A 104 GLN HE22 A 104 GLN HG2 1.0 . 2.57 249 103 A 116 LEU HA A 117 PRO HD3 1.0 . 2.65 250 103 A 116 LEU HA A 117 PRO HD2 1.0 . 2.65 251 104 A 116 LEU HBx A 117 PRO HD3 1.0 . 3.83 252 104 A 116 LEU HBy A 117 PRO HD3 1.0 . 3.83 253 104 A 117 PRO HD2 A 116 LEU HBx 1.0 . 3.83 254 104 A 116 LEU HBy A 117 PRO HD2 1.0 . 3.83 255 105 A 116 LEU HBx A 117 PRO HD3 1.0 . 3.83 256 105 A 116 LEU HBy A 117 PRO HD3 1.0 . 3.83 257 105 A 117 PRO HD2 A 116 LEU HBx 1.0 . 3.83 258 105 A 116 LEU HBy A 117 PRO HD2 1.0 . 3.83 259 106 A 116 LEU HDy% A 117 PRO HD3 1.0 . 4.10 260 106 A 116 LEU HDx% A 117 PRO HD3 1.0 . 4.10 261 106 A 117 PRO HD2 A 116 LEU HDy% 1.0 . 4.10 262 106 A 116 LEU HDx% A 117 PRO HD2 1.0 . 4.10 263 107 A 119 SER H A 117 PRO HB3 1.0 . 3.77 264 107 A 119 SER H A 117 PRO HB2 1.0 . 3.77 265 108 A 120 VAL H A 117 PRO HB3 1.0 . 4.57 266 108 A 120 VAL H A 117 PRO HB2 1.0 . 4.57 267 109 A 117 PRO HB2 A 120 VAL HG2% 1.0 . 3.64 268 109 A 117 PRO HB3 A 120 VAL HG2% 1.0 . 3.64 269 109 A 120 VAL HG1% A 117 PRO HB3 1.0 . 3.64 270 109 A 120 VAL HG1% A 117 PRO HB2 1.0 . 3.64 271 110 A 120 VAL H A 117 PRO HG2 1.0 . 4.04 272 110 A 120 VAL H A 117 PRO HGy 1.0 . 4.04 273 111 A 120 VAL HA A 117 PRO HG2 1.0 . 4.58 274 111 A 120 VAL HA A 117 PRO HGy 1.0 . 4.58 275 112 A 117 PRO HG2 A 120 VAL HG2% 1.0 . 3.28 276 112 A 117 PRO HGy A 120 VAL HG2% 1.0 . 3.28 277 112 A 120 VAL HG1% A 117 PRO HG2 1.0 . 3.28 278 112 A 120 VAL HG1% A 117 PRO HGy 1.0 . 3.28 279 113 A 117 PRO HG2 A 120 VAL HG2% 1.0 . 3.28 280 113 A 117 PRO HGy A 120 VAL HG2% 1.0 . 3.28 281 113 A 120 VAL HG1% A 117 PRO HG2 1.0 . 3.28 282 113 A 120 VAL HG1% A 117 PRO HGy 1.0 . 3.28 283 114 A 117 PRO HD3 A 120 VAL HG2% 1.0 . 4.05 284 114 A 117 PRO HD2 A 120 VAL HG2% 1.0 . 4.05 285 114 A 120 VAL HG1% A 117 PRO HD3 1.0 . 4.05 286 114 A 120 VAL HG1% A 117 PRO HD2 1.0 . 4.05 287 115 A 117 PRO HD3 A 120 VAL HG2% 1.0 . 4.21 288 115 A 117 PRO HD2 A 120 VAL HG2% 1.0 . 4.21 289 115 A 120 VAL HG1% A 117 PRO HD3 1.0 . 4.21 290 115 A 120 VAL HG1% A 117 PRO HD2 1.0 . 4.21 291 116 A 120 VAL H A 120 VAL HG2% 1.0 . 3.53 292 116 A 120 VAL HG1% A 120 VAL H 1.0 . 3.53 293 117 A 120 VAL HA A 120 VAL HG2% 1.0 . 2.61 294 117 A 120 VAL HA A 120 VAL HG1% 1.0 . 2.61 295 118 A 120 VAL HA A 123 GLU HB2 1.0 . 3.39 296 118 A 120 VAL HA A 123 GLU HB3 1.0 . 3.39 297 119 A 123 GLU H A 120 VAL HG2% 1.0 . 5.44 298 119 A 120 VAL HG1% A 123 GLU H 1.0 . 5.44 299 120 A 120 VAL HG1% A 123 GLU HGy 1.0 . 4.68 300 120 A 120 VAL HG2% A 123 GLU HGy 1.0 . 4.68 301 120 A 123 GLU HGx A 120 VAL HG2% 1.0 . 4.68 302 120 A 120 VAL HG1% A 123 GLU HGx 1.0 . 4.68 303 121 A 123 GLU H A 123 GLU HB2 1.0 . 3.59 304 121 A 123 GLU HB3 A 123 GLU H 1.0 . 3.59 305 122 A 123 GLU HA A 123 GLU HB2 1.0 . 2.48 306 122 A 123 GLU HB3 A 123 GLU HA 1.0 . 2.48 307 123 A 124 LEU H A 123 GLU HB2 1.0 . 3.70 308 123 A 124 LEU H A 123 GLU HB3 1.0 . 3.70 309 124 A 124 LEU H A 124 LEU HB2 1.0 . 2.90 310 124 A 124 LEU H A 124 LEU HB3 1.0 . 2.90 311 125 A 125 GLU H A 124 LEU HB2 1.0 . 4.23 312 125 A 125 GLU H A 124 LEU HB3 1.0 . 4.23 313 126 A 128 ILE H A 127 GLY HAx 1.0 . 2.94 314 126 A 128 ILE H A 127 GLY HAy 1.0 . 2.94 315 127 A 128 ILE HG2% A 127 GLY HAx 1.0 . 4.39 316 127 A 127 GLY HAy A 128 ILE HG2% 1.0 . 4.39 317 128 A 128 ILE HD1% A 127 GLY HAx 1.0 . 3.22 318 128 A 127 GLY HAy A 128 ILE HD1% 1.0 . 3.22 319 129 A 129 GLY H A 127 GLY HAx 1.0 . 4.53 320 129 A 129 GLY H A 127 GLY HAy 1.0 . 4.53 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 19 LYS H A 15 GLN O 1.0 . 2.0 2 2 A 21 PHE H A 17 VAL O 1.0 . 2.0 3 3 A 22 PHE H A 18 VAL O 1.0 . 2.0 4 4 A 23 GLU H A 19 LYS O 1.0 . 2.0 5 5 A 24 LEU H A 20 ALA O 1.0 . 2.0 6 6 A 25 LEU H A 21 PHE O 1.0 . 2.0 7 7 A 26 LYS H A 22 PHE O 1.0 . 2.0 8 8 A 37 GLU H A 33 ASP O 1.0 . 2.0 9 9 A 38 LYS H A 34 PRO O 1.0 . 2.0 10 10 A 40 LEU H A 36 ILE O 1.0 . 2.0 11 11 A 41 ASP H A 37 GLU O 1.0 . 2.0 12 12 A 42 ALA H A 38 LYS O 1.0 . 2.0 13 13 A 44 VAL H A 40 LEU O 1.0 . 2.0 14 14 A 45 ASP H A 41 ASP O 1.0 . 2.0 15 15 A 56 GLU H A 52 LYS O 1.0 . 2.0 16 16 A 57 THR H A 53 ALA O 1.0 . 2.0 17 17 A 58 PHE H A 54 LYS O 1.0 . 2.0 18 18 A 59 LYS H A 55 PHE O 1.0 . 2.0 19 19 A 61 GLU H A 57 THR O 1.0 . 2.0 20 20 A 62 MET H A 58 PHE O 1.0 . 2.0 21 21 A 63 LYS H A 59 LYS O 1.0 . 2.0 22 22 A 64 ALA H A 60 LYS O 1.0 . 2.0 23 23 A 65 LYS H A 61 GLU O 1.0 . 2.0 24 24 A 66 GLU H A 62 MET O 1.0 . 2.0 25 25 A 63 LYS O A 67 ALA H 1.0 . 2.0 26 26 A 68 GLU H A 64 ALA O 1.0 . 2.0 27 27 A 69 LEU H A 65 LYS O 1.0 . 2.0 28 28 A 70 ALA H A 66 GLU O 1.0 . 2.0 29 29 A 71 LYS H A 67 ALA O 1.0 . 2.0 30 30 A 72 ALA H A 68 GLU O 1.0 . 2.0 31 31 A 73 HIS H A 69 LEU O 1.0 . 2.0 32 32 A 74 GLU H A 70 ALA O 1.0 . 2.0 33 33 A 75 GLU H A 71 LYS O 1.0 . 2.0 34 34 A 76 ALA H A 72 ALA O 1.0 . 2.0 35 35 A 77 VAL H A 73 HIS O 1.0 . 2.0 36 36 A 78 ALA H A 74 GLU O 1.0 . 2.0 37 37 A 87 ALA H A 83 GLU O 1.0 . 2.0 38 38 A 88 ASP H A 84 ALA O 1.0 . 2.0 39 39 A 89 ALA H A 85 LYS O 1.0 . 2.0 40 40 A 90 GLU H A 86 LYS O 1.0 . 2.0 41 41 A 91 LEU H A 87 ALA O 1.0 . 2.0 42 42 A 92 SER H A 88 ASP O 1.0 . 2.0 43 43 A 93 LYS H A 89 ALA O 1.0 . 2.0 44 44 A 94 ILE H A 90 GLU O 1.0 . 2.0 45 45 A 95 ALA H A 91 LEU O 1.0 . 2.0 46 46 A 103 ILE O A 107 GLN H 1.0 . 2.0 47 47 A 108 LYS H A 104 GLN O 1.0 . 2.0 48 48 A 109 ILE H A 105 LYS O 1.0 . 2.0 49 49 A 110 GLN H A 106 ALA O 1.0 . 2.0 50 50 A 111 ALA H A 107 GLN O 1.0 . 2.0 51 51 A 112 ILE H A 108 LYS O 1.0 . 2.0 52 52 A 113 TYR H A 109 ILE O 1.0 . 2.0 53 53 A 114 LYS H A 110 GLN O 1.0 . 2.0 54 54 A 122 ASP H A 118 GLN O 1.0 . 2.0 55 55 A 123 GLU H A 119 SER O 1.0 . 2.0 56 56 A 124 LEU H A 120 VAL O 1.0 . 2.0 57 57 A 125 GLU H A 121 LYS O 1.0 . 2.0 stop_ save_ save_DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 15 GLN H A 11 ALA O 1.0 . 1.8 2 2 A 16 ASP H A 12 GLY O 1.0 . 1.8 3 3 A 17 VAL H A 13 ALA O 1.0 . 1.8 4 4 A 18 VAL H A 14 PRO O 1.0 . 1.8 5 5 A 19 LYS H A 15 GLN O 1.0 . 1.8 6 6 A 20 ALA H A 16 ASP O 1.0 . 1.8 7 7 A 21 PHE H A 17 VAL O 1.0 . 1.8 8 8 A 22 PHE H A 18 VAL O 1.0 . 1.8 9 9 A 23 GLU H A 19 LYS O 1.0 . 1.8 10 10 A 24 LEU H A 20 ALA O 1.0 . 1.8 11 11 A 25 LEU H A 21 PHE O 1.0 . 1.8 12 12 A 26 LYS H A 22 PHE O 1.0 . 1.8 13 13 A 27 LYS H A 23 GLU O 1.0 . 1.8 14 14 A 33 ASP H A 29 GLU O 1.0 . 1.8 15 15 A 35 GLU H A 31 LYS O 1.0 . 1.8 16 16 A 36 ILE H A 32 THR O 1.0 . 1.8 17 17 A 37 GLU H A 33 ASP O 1.0 . 1.8 18 18 A 38 LYS H A 34 PRO O 1.0 . 1.8 19 19 A 39 ASP H A 35 GLU O 1.0 . 1.8 20 20 A 40 LEU H A 36 ILE O 1.0 . 1.8 21 21 A 41 ASP H A 37 GLU O 1.0 . 1.8 22 22 A 42 ALA H A 38 LYS O 1.0 . 1.8 23 23 A 43 TRP H A 39 ASP O 1.0 . 1.8 24 24 A 44 VAL H A 40 LEU O 1.0 . 1.8 25 25 A 45 ASP H A 41 ASP O 1.0 . 1.8 26 26 A 46 THR H A 42 ALA O 1.0 . 1.8 27 27 A 47 LEU H A 43 TRP O 1.0 . 1.8 28 28 A 53 ALA H A 49 GLY O 1.0 . 1.8 29 29 A 54 LYS H A 50 ASP O 1.0 . 1.8 30 30 A 55 PHE H A 51 TYR O 1.0 . 1.8 31 31 A 56 GLU H A 52 LYS O 1.0 . 1.8 32 32 A 57 THR H A 53 ALA O 1.0 . 1.8 33 33 A 58 PHE H A 54 LYS O 1.0 . 1.8 34 34 A 59 LYS H A 55 PHE O 1.0 . 1.8 35 35 A 60 LYS H A 56 GLU O 1.0 . 1.8 36 36 A 61 GLU H A 57 THR O 1.0 . 1.8 37 37 A 62 MET H A 58 PHE O 1.0 . 1.8 38 38 A 63 LYS H A 59 LYS O 1.0 . 1.8 39 39 A 64 ALA H A 60 LYS O 1.0 . 1.8 40 40 A 65 LYS H A 61 GLU O 1.0 . 1.8 41 41 A 66 GLU H A 62 MET O 1.0 . 1.8 42 42 A 63 LYS O A 67 ALA H 1.0 . 1.8 43 43 A 68 GLU H A 64 ALA O 1.0 . 1.8 44 44 A 69 LEU H A 65 LYS O 1.0 . 1.8 45 45 A 70 ALA H A 66 GLU O 1.0 . 1.8 46 46 A 71 LYS H A 67 ALA O 1.0 . 1.8 47 47 A 72 ALA H A 68 GLU O 1.0 . 1.8 48 48 A 73 HIS H A 69 LEU O 1.0 . 1.8 49 49 A 74 GLU H A 70 ALA O 1.0 . 1.8 50 50 A 75 GLU H A 71 LYS O 1.0 . 1.8 51 51 A 76 ALA H A 72 ALA O 1.0 . 1.8 52 52 A 77 VAL H A 73 HIS O 1.0 . 1.8 53 53 A 78 ALA H A 74 GLU O 1.0 . 1.8 54 54 A 79 LYS H A 75 GLU O 1.0 . 1.8 55 55 A 80 MET H A 76 ALA O 1.0 . 1.8 56 56 A 84 ALA H A 80 MET O 1.0 . 1.8 57 57 A 85 LYS H A 81 THR O 1.0 . 1.8 58 58 A 86 LYS H A 82 PRO O 1.0 . 1.8 59 59 A 87 ALA H A 83 GLU O 1.0 . 1.8 60 60 A 88 ASP H A 84 ALA O 1.0 . 1.8 61 61 A 89 ALA H A 85 LYS O 1.0 . 1.8 62 62 A 90 GLU H A 86 LYS O 1.0 . 1.8 63 63 A 91 LEU H A 87 ALA O 1.0 . 1.8 64 64 A 92 SER H A 88 ASP O 1.0 . 1.8 65 65 A 93 LYS H A 89 ALA O 1.0 . 1.8 66 66 A 94 ILE H A 90 GLU O 1.0 . 1.8 67 67 A 95 ALA H A 91 LEU O 1.0 . 1.8 68 68 A 96 GLU H A 92 SER O 1.0 . 1.8 69 69 A 104 GLN H A 100 LEU O 1.0 . 1.8 70 70 A 105 LYS H A 101 ASN O 1.0 . 1.8 71 71 A 106 ALA H A 102 GLY O 1.0 . 1.8 72 72 A 103 ILE O A 107 GLN H 1.0 . 1.8 73 73 A 108 LYS H A 104 GLN O 1.0 . 1.8 74 74 A 109 ILE H A 105 LYS O 1.0 . 1.8 75 75 A 110 GLN H A 106 ALA O 1.0 . 1.8 76 76 A 111 ALA H A 107 GLN O 1.0 . 1.8 77 77 A 112 ILE H A 108 LYS O 1.0 . 1.8 78 78 A 113 TYR H A 109 ILE O 1.0 . 1.8 79 79 A 114 LYS H A 110 GLN O 1.0 . 1.8 80 80 A 118 GLN H A 114 LYS O 1.0 . 1.8 81 81 A 119 SER H A 115 THR O 1.0 . 1.8 82 82 A 120 VAL H A 116 LEU O 1.0 . 1.8 83 83 A 121 LYS H A 117 PRO O 1.0 . 1.8 84 84 A 122 ASP H A 118 GLN O 1.0 . 1.8 85 85 A 123 GLU H A 119 SER O 1.0 . 1.8 86 86 A 124 LEU H A 120 VAL O 1.0 . 1.8 87 87 A 125 GLU H A 121 LYS O 1.0 . 1.8 stop_ save_ save_DYANA/DIANA_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 ASP C A 3 THR N A 3 THR CA A 3 THR C 1.0 -154.4 -49.6 PHI 2 2 A 3 THR N A 3 THR CA A 3 THR C A 4 PRO N 1.0 43.7 177.8 PSI 3 3 A 8 PRO C A 9 PHE N A 9 PHE CA A 9 PHE C 1.0 -115.8 -42.3 PHI 4 4 A 9 PHE N A 9 PHE CA A 9 PHE C A 10 LEU N 1.0 -49.8 20.6 PSI 5 5 A 10 LEU C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -133.5 9.1 PHI 6 6 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 GLY N 1.0 63.4 187.2 PSI 7 7 A 12 GLY C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -125.2 -48.3 PHI 8 8 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 PRO N 1.0 127.8 158.4 PSI 9 9 A 14 PRO C A 15 GLN N A 15 GLN CA A 15 GLN C 1.0 -74.0 -28.7 PHI 10 10 A 15 GLN N A 15 GLN CA A 15 GLN C A 16 ASP N 1.0 -65.8 -18.1 PSI 11 11 A 15 GLN C A 16 ASP N A 16 ASP CA A 16 ASP C 1.0 -80.7 -52.1 PHI 12 12 A 16 ASP N A 16 ASP CA A 16 ASP C A 17 VAL N 1.0 -57.4 -11.9 PSI 13 13 A 16 ASP C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -83.3 -50.3 PHI 14 14 A 17 VAL N A 17 VAL CA A 17 VAL C A 18 VAL N 1.0 -52.8 -32.8 PSI 15 15 A 17 VAL C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -75.7 -48.6 PHI 16 16 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 LYS N 1.0 -60.8 -29.0 PSI 17 17 A 18 VAL C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -70.8 -50.8 PHI 18 18 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 ALA N 1.0 -50.6 -30.6 PSI 19 19 A 19 LYS C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -74.1 -54.1 PHI 20 20 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 PHE N 1.0 -52.0 -31.3 PSI 21 21 A 20 ALA C A 21 PHE N A 21 PHE CA A 21 PHE C 1.0 -75.0 -55.0 PHI 22 22 A 21 PHE N A 21 PHE CA A 21 PHE C A 22 PHE N 1.0 -53.8 -33.7 PSI 23 23 A 21 PHE C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -71.5 -51.5 PHI 24 24 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 GLU N 1.0 -47.5 -27.5 PSI 25 25 A 22 PHE C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -76.6 -56.6 PHI 26 26 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 LEU N 1.0 -51.8 -31.8 PSI 27 27 A 23 GLU C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -74.9 -54.9 PHI 28 28 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 LEU N 1.0 -54.5 -33.8 PSI 29 29 A 24 LEU C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -72.8 -50.9 PHI 30 30 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 LYS N 1.0 -58.6 -16.4 PSI 31 31 A 25 LEU C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -95.9 -44.8 PHI 32 32 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 LYS N 1.0 -61.5 -7.1 PSI 33 33 A 26 LYS C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -76.7 -56.7 PHI 34 34 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 ASP N 1.0 -49.3 -12.5 PSI 35 35 A 27 LYS C A 28 ASP N A 28 ASP CA A 28 ASP C 1.0 -109.8 -41.9 PHI 36 36 A 28 ASP N A 28 ASP CA A 28 ASP C A 29 GLU N 1.0 -61.4 30.1 PSI 37 37 A 28 ASP C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -82.4 -48.9 PHI 38 38 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 THR N 1.0 -47.0 -11.4 PSI 39 39 A 29 GLU C A 30 THR N A 30 THR CA A 30 THR C 1.0 -140.7 -59.7 PHI 40 40 A 30 THR N A 30 THR CA A 30 THR C A 31 LYS N 1.0 -34.3 28.4 PSI 41 41 A 31 LYS C A 32 THR N A 32 THR CA A 32 THR C 1.0 -178.2 -41.8 PHI 42 42 A 32 THR N A 32 THR CA A 32 THR C A 33 ASP N 1.0 153.3 180.2 PSI 43 43 A 34 PRO C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -77.6 -57.6 PHI 44 44 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 ILE N 1.0 -54.7 -20.1 PSI 45 45 A 35 GLU C A 36 ILE N A 36 ILE CA A 36 ILE C 1.0 -71.0 -51.0 PHI 46 46 A 36 ILE N A 36 ILE CA A 36 ILE C A 37 GLU N 1.0 -53.4 -33.4 PSI 47 47 A 36 ILE C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -74.9 -52.8 PHI 48 48 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 LYS N 1.0 -57.3 -25.6 PSI 49 49 A 37 GLU C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -83.8 -50.7 PHI 50 50 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 ASP N 1.0 -65.8 -7.9 PSI 51 51 A 38 LYS C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -76.6 -56.6 PHI 52 52 A 39 ASP N A 39 ASP CA A 39 ASP C A 40 LEU N 1.0 -52.6 -23.1 PSI 53 53 A 39 ASP C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -75.4 -55.4 PHI 54 54 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 ASP N 1.0 -51.1 -31.1 PSI 55 55 A 40 LEU C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -71.8 -51.3 PHI 56 56 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 ALA N 1.0 -58.4 -17.2 PSI 57 57 A 41 ASP C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -78.3 -47.6 PHI 58 58 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 TRP N 1.0 -58.9 -30.1 PSI 59 59 A 42 ALA C A 43 TRP N A 43 TRP CA A 43 TRP C 1.0 -73.8 -51.2 PHI 60 60 A 43 TRP N A 43 TRP CA A 43 TRP C A 44 VAL N 1.0 -58.0 -31.7 PSI 61 61 A 43 TRP C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -75.1 -47.7 PHI 62 62 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 ASP N 1.0 -54.3 -34.3 PSI 63 63 A 44 VAL C A 45 ASP N A 45 ASP CA A 45 ASP C 1.0 -80.2 -50.8 PHI 64 64 A 45 ASP N A 45 ASP CA A 45 ASP C A 46 THR N 1.0 -55.4 -10.3 PSI 65 65 A 45 ASP C A 46 THR N A 46 THR CA A 46 THR C 1.0 -115.2 -48.0 PHI 66 66 A 46 THR N A 46 THR CA A 46 THR C A 47 LEU N 1.0 -61.1 9.0 PSI 67 67 A 46 THR C A 47 LEU N A 47 LEU CA A 47 LEU C 1.0 -121.7 -47.3 PHI 68 68 A 47 LEU N A 47 LEU CA A 47 LEU C A 48 GLY N 1.0 -71.4 24.4 PSI 69 69 A 50 ASP C A 51 TYR N A 51 TYR CA A 51 TYR C 1.0 -76.7 -42.6 PHI 70 70 A 51 TYR N A 51 TYR CA A 51 TYR C A 52 LYS N 1.0 -55.4 -26.2 PSI 71 71 A 51 TYR C A 52 LYS N A 52 LYS CA A 52 LYS C 1.0 -74.4 -50.7 PHI 72 72 A 52 LYS N A 52 LYS CA A 52 LYS C A 53 ALA N 1.0 -59.8 -27.6 PSI 73 73 A 52 LYS C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -77.4 -55.8 PHI 74 74 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 LYS N 1.0 -52.6 -31.9 PSI 75 75 A 53 ALA C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -84.0 -49.9 PHI 76 76 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 PHE N 1.0 -46.4 -24.3 PSI 77 77 A 54 LYS C A 55 PHE N A 55 PHE CA A 55 PHE C 1.0 -73.6 -53.6 PHI 78 78 A 55 PHE N A 55 PHE CA A 55 PHE C A 56 GLU N 1.0 -54.1 -32.3 PSI 79 79 A 55 PHE C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -77.6 -49.0 PHI 80 80 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 THR N 1.0 -66.1 -10.7 PSI 81 81 A 56 GLU C A 57 THR N A 57 THR CA A 57 THR C 1.0 -76.5 -55.1 PHI 82 82 A 57 THR N A 57 THR CA A 57 THR C A 58 PHE N 1.0 -57.7 -27.0 PSI 83 83 A 57 THR C A 58 PHE N A 58 PHE CA A 58 PHE C 1.0 -73.2 -52.6 PHI 84 84 A 58 PHE N A 58 PHE CA A 58 PHE C A 59 LYS N 1.0 -55.5 -29.1 PSI 85 85 A 58 PHE C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -71.3 -51.3 PHI 86 86 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 LYS N 1.0 -54.7 -33.1 PSI 87 87 A 59 LYS C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -74.0 -54.0 PHI 88 88 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 GLU N 1.0 -57.2 -23.1 PSI 89 89 A 60 LYS C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -81.3 -48.6 PHI 90 90 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 MET N 1.0 -51.0 -26.2 PSI 91 91 A 61 GLU C A 62 MET N A 62 MET CA A 62 MET C 1.0 -78.6 -53.4 PHI 92 92 A 62 MET N A 62 MET CA A 62 MET C A 63 LYS N 1.0 -53.4 -28.8 PSI 93 93 A 62 MET C A 63 LYS N A 63 LYS CA A 63 LYS C 1.0 -74.9 -54.5 PHI 94 94 A 63 LYS N A 63 LYS CA A 63 LYS C A 64 ALA N 1.0 -59.6 -18.4 PSI 95 95 A 63 LYS C A 64 ALA N A 64 ALA CA A 64 ALA C 1.0 -77.6 -53.6 PHI 96 96 A 64 ALA N A 64 ALA CA A 64 ALA C A 65 LYS N 1.0 -51.6 -23.3 PSI 97 97 A 64 ALA C A 65 LYS N A 65 LYS CA A 65 LYS C 1.0 -75.9 -55.9 PHI 98 98 A 65 LYS N A 65 LYS CA A 65 LYS C A 66 GLU N 1.0 -53.2 -30.8 PSI 99 99 A 65 LYS C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -69.9 -49.9 PHI 100 100 A 66 GLU N A 66 GLU CA A 66 GLU C A 67 ALA N 1.0 -54.2 -34.2 PSI 101 101 A 66 GLU C A 67 ALA N A 67 ALA CA A 67 ALA C 1.0 -81.9 -47.5 PHI 102 102 A 67 ALA N A 67 ALA CA A 67 ALA C A 68 GLU N 1.0 -58.2 -27.9 PSI 103 103 A 67 ALA C A 68 GLU N A 68 GLU CA A 68 GLU C 1.0 -79.2 -52.8 PHI 104 104 A 68 GLU N A 68 GLU CA A 68 GLU C A 69 LEU N 1.0 -55.5 -29.4 PSI 105 105 A 68 GLU C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -74.3 -54.3 PHI 106 106 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 ALA N 1.0 -51.2 -31.2 PSI 107 107 A 69 LEU C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -80.1 -49.8 PHI 108 108 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 LYS N 1.0 -52.6 -24.1 PSI 109 109 A 70 ALA C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -77.4 -57.4 PHI 110 110 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 ALA N 1.0 -50.8 -30.6 PSI 111 111 A 71 LYS C A 72 ALA N A 72 ALA CA A 72 ALA C 1.0 -71.5 -51.5 PHI 112 112 A 72 ALA N A 72 ALA CA A 72 ALA C A 73 HIS N 1.0 -51.6 -31.0 PSI 113 113 A 72 ALA C A 73 HIS N A 73 HIS CA A 73 HIS C 1.0 -99.2 -39.5 PHI 114 114 A 73 HIS N A 73 HIS CA A 73 HIS C A 74 GLU N 1.0 -73.9 -0.8 PSI 115 115 A 73 HIS C A 74 GLU N A 74 GLU CA A 74 GLU C 1.0 -80.9 -49.9 PHI 116 116 A 74 GLU N A 74 GLU CA A 74 GLU C A 75 GLU N 1.0 -51.8 -24.2 PSI 117 117 A 74 GLU C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -77.8 -57.5 PHI 118 118 A 75 GLU N A 75 GLU CA A 75 GLU C A 76 ALA N 1.0 -52.6 -32.6 PSI 119 119 A 75 GLU C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -73.8 -52.7 PHI 120 120 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 VAL N 1.0 -51.0 -29.8 PSI 121 121 A 76 ALA C A 77 VAL N A 77 VAL CA A 77 VAL C 1.0 -73.0 -53.0 PHI 122 122 A 77 VAL N A 77 VAL CA A 77 VAL C A 78 ALA N 1.0 -53.3 -32.9 PSI 123 123 A 77 VAL C A 78 ALA N A 78 ALA CA A 78 ALA C 1.0 -86.1 -50.7 PHI 124 124 A 78 ALA N A 78 ALA CA A 78 ALA C A 79 LYS N 1.0 -45.1 -9.7 PSI 125 125 A 78 ALA C A 79 LYS N A 79 LYS CA A 79 LYS C 1.0 -117.9 -74.4 PHI 126 126 A 79 LYS N A 79 LYS CA A 79 LYS C A 80 MET N 1.0 -46.1 16.0 PSI 127 127 A 80 MET C A 81 THR N A 81 THR CA A 81 THR C 1.0 -129.7 -32.4 PHI 128 128 A 81 THR N A 81 THR CA A 81 THR C A 82 PRO N 1.0 83.0 210.9 PSI 129 129 A 82 PRO C A 83 GLU N A 83 GLU CA A 83 GLU C 1.0 -75.7 -54.2 PHI 130 130 A 83 GLU N A 83 GLU CA A 83 GLU C A 84 ALA N 1.0 -48.6 -28.6 PSI 131 131 A 83 GLU C A 84 ALA N A 84 ALA CA A 84 ALA C 1.0 -76.3 -53.2 PHI 132 132 A 84 ALA N A 84 ALA CA A 84 ALA C A 85 LYS N 1.0 -53.9 -29.2 PSI 133 133 A 84 ALA C A 85 LYS N A 85 LYS CA A 85 LYS C 1.0 -77.0 -53.5 PHI 134 134 A 85 LYS N A 85 LYS CA A 85 LYS C A 86 LYS N 1.0 -53.4 -29.2 PSI 135 135 A 85 LYS C A 86 LYS N A 86 LYS CA A 86 LYS C 1.0 -74.6 -54.6 PHI 136 136 A 86 LYS N A 86 LYS CA A 86 LYS C A 87 ALA N 1.0 -54.8 -34.8 PSI 137 137 A 86 LYS C A 87 ALA N A 87 ALA CA A 87 ALA C 1.0 -76.8 -56.7 PHI 138 138 A 87 ALA N A 87 ALA CA A 87 ALA C A 88 ASP N 1.0 -55.9 -25.0 PSI 139 139 A 87 ALA C A 88 ASP N A 88 ASP CA A 88 ASP C 1.0 -73.7 -51.1 PHI 140 140 A 88 ASP N A 88 ASP CA A 88 ASP C A 89 ALA N 1.0 -56.3 -31.0 PSI 141 141 A 88 ASP C A 89 ALA N A 89 ALA CA A 89 ALA C 1.0 -75.1 -52.1 PHI 142 142 A 89 ALA N A 89 ALA CA A 89 ALA C A 90 GLU N 1.0 -51.7 -29.5 PSI 143 143 A 89 ALA C A 90 GLU N A 90 GLU CA A 90 GLU C 1.0 -72.7 -52.6 PHI 144 144 A 90 GLU N A 90 GLU CA A 90 GLU C A 91 LEU N 1.0 -53.4 -33.4 PSI 145 145 A 90 GLU C A 91 LEU N A 91 LEU CA A 91 LEU C 1.0 -76.9 -56.9 PHI 146 146 A 91 LEU N A 91 LEU CA A 91 LEU C A 92 SER N 1.0 -46.1 -26.1 PSI 147 147 A 91 LEU C A 92 SER N A 92 SER CA A 92 SER C 1.0 -73.7 -53.7 PHI 148 148 A 92 SER N A 92 SER CA A 92 SER C A 93 LYS N 1.0 -52.4 -32.4 PSI 149 149 A 92 SER C A 93 LYS N A 93 LYS CA A 93 LYS C 1.0 -82.9 -51.9 PHI 150 150 A 93 LYS N A 93 LYS CA A 93 LYS C A 94 ILE N 1.0 -58.6 -26.7 PSI 151 151 A 93 LYS C A 94 ILE N A 94 ILE CA A 94 ILE C 1.0 -74.9 -50.7 PHI 152 152 A 94 ILE N A 94 ILE CA A 94 ILE C A 95 ALA N 1.0 -54.6 -34.1 PSI 153 153 A 94 ILE C A 95 ALA N A 95 ALA CA A 95 ALA C 1.0 -77.0 -46.0 PHI 154 154 A 95 ALA N A 95 ALA CA A 95 ALA C A 96 GLU N 1.0 -61.1 -5.5 PSI 155 155 A 95 ALA C A 96 GLU N A 96 GLU CA A 96 GLU C 1.0 -118.8 -80.9 PHI 156 156 A 96 GLU N A 96 GLU CA A 96 GLU C A 97 ASP N 1.0 -28.3 29.3 PSI 157 157 A 96 GLU C A 97 ASP N A 97 ASP CA A 97 ASP C 1.0 -175.5 20.2 PHI 158 158 A 97 ASP N A 97 ASP CA A 97 ASP C A 98 ASP N 1.0 78.1 214.4 PSI 159 159 A 97 ASP C A 98 ASP N A 98 ASP CA A 98 ASP C 1.0 -103.1 -41.5 PHI 160 160 A 98 ASP N A 98 ASP CA A 98 ASP C A 99 SER N 1.0 -47.5 8.2 PSI 161 161 A 98 ASP C A 99 SER N A 99 SER CA A 99 SER C 1.0 -124.0 -54.9 PHI 162 162 A 99 SER N A 99 SER CA A 99 SER C A 100 LEU N 1.0 -91.2 27.3 PSI 163 163 A 99 SER C A 100 LEU N A 100 LEU CA A 100 LEU C 1.0 -176.2 -86.2 PHI 164 164 A 100 LEU N A 100 LEU CA A 100 LEU C A 101 ASN N 1.0 84.2 191.3 PSI 165 165 A 100 LEU C A 101 ASN N A 101 ASN CA A 101 ASN C 1.0 -98.4 -77.8 PHI 166 166 A 101 ASN N A 101 ASN CA A 101 ASN C A 102 GLY N 1.0 143.7 196.4 PSI 167 167 A 102 GLY C A 103 ILE N A 103 ILE CA A 103 ILE C 1.0 -77.8 -54.2 PHI 168 168 A 103 ILE N A 103 ILE CA A 103 ILE C A 104 GLN N 1.0 -52.1 -29.1 PSI 169 169 A 103 ILE C A 104 GLN N A 104 GLN CA A 104 GLN C 1.0 -71.7 -51.7 PHI 170 170 A 104 GLN N A 104 GLN CA A 104 GLN C A 105 LYS N 1.0 -50.4 -30.4 PSI 171 171 A 104 GLN C A 105 LYS N A 105 LYS CA A 105 LYS C 1.0 -74.7 -54.7 PHI 172 172 A 105 LYS N A 105 LYS CA A 105 LYS C A 106 ALA N 1.0 -59.4 -11.6 PSI 173 173 A 105 LYS C A 106 ALA N A 106 ALA CA A 106 ALA C 1.0 -109.2 -57.8 PHI 174 174 A 106 ALA N A 106 ALA CA A 106 ALA C A 107 GLN N 1.0 -38.2 20.9 PSI 175 175 A 106 ALA C A 107 GLN N A 107 GLN CA A 107 GLN C 1.0 -146.9 -47.3 PHI 176 176 A 107 GLN N A 107 GLN CA A 107 GLN C A 108 LYS N 1.0 -63.5 74.4 PSI 177 177 A 107 GLN C A 108 LYS N A 108 LYS CA A 108 LYS C 1.0 -74.5 -45.1 PHI 178 178 A 108 LYS N A 108 LYS CA A 108 LYS C A 109 ILE N 1.0 -52.5 -24.3 PSI 179 179 A 108 LYS C A 109 ILE N A 109 ILE CA A 109 ILE C 1.0 -75.9 -53.9 PHI 180 180 A 109 ILE N A 109 ILE CA A 109 ILE C A 110 GLN N 1.0 -52.1 -32.1 PSI 181 181 A 109 ILE C A 110 GLN N A 110 GLN CA A 110 GLN C 1.0 -69.2 -49.2 PHI 182 182 A 110 GLN N A 110 GLN CA A 110 GLN C A 111 ALA N 1.0 -54.7 -25.3 PSI 183 183 A 110 GLN C A 111 ALA N A 111 ALA CA A 111 ALA C 1.0 -73.8 -53.8 PHI 184 184 A 111 ALA N A 111 ALA CA A 111 ALA C A 112 ILE N 1.0 -49.1 -29.1 PSI 185 185 A 111 ALA C A 112 ILE N A 112 ILE CA A 112 ILE C 1.0 -96.1 -50.1 PHI 186 186 A 112 ILE N A 112 ILE CA A 112 ILE C A 113 TYR N 1.0 -51.8 -31.8 PSI 187 187 A 112 ILE C A 113 TYR N A 113 TYR CA A 113 TYR C 1.0 -77.1 -47.7 PHI 188 188 A 113 TYR N A 113 TYR CA A 113 TYR C A 114 LYS N 1.0 -57.3 -27.6 PSI 189 189 A 113 TYR C A 114 LYS N A 114 LYS CA A 114 LYS C 1.0 -90.8 -40.7 PHI 190 190 A 114 LYS N A 114 LYS CA A 114 LYS C A 115 THR N 1.0 -60.3 -4.7 PSI 191 191 A 114 LYS C A 115 THR N A 115 THR CA A 115 THR C 1.0 -132.6 -57.5 PHI 192 192 A 115 THR N A 115 THR CA A 115 THR C A 116 LEU N 1.0 -57.8 46.4 PSI 193 193 A 115 THR C A 116 LEU N A 116 LEU CA A 116 LEU C 1.0 -159.4 -33.1 PHI 194 194 A 116 LEU N A 116 LEU CA A 116 LEU C A 117 PRO N 1.0 53.5 185.2 PSI 195 195 A 117 PRO C A 118 GLN N A 118 GLN CA A 118 GLN C 1.0 -68.7 -31.2 PHI 196 196 A 118 GLN N A 118 GLN CA A 118 GLN C A 119 SER N 1.0 -66.4 -22.6 PSI 197 197 A 118 GLN C A 119 SER N A 119 SER CA A 119 SER C 1.0 -72.9 -52.9 PHI 198 198 A 119 SER N A 119 SER CA A 119 SER C A 120 VAL N 1.0 -51.6 -31.6 PSI 199 199 A 119 SER C A 120 VAL N A 120 VAL CA A 120 VAL C 1.0 -77.3 -55.1 PHI 200 200 A 120 VAL N A 120 VAL CA A 120 VAL C A 121 LYS N 1.0 -53.9 -33.9 PSI 201 201 A 120 VAL C A 121 LYS N A 121 LYS CA A 121 LYS C 1.0 -69.8 -49.8 PHI 202 202 A 121 LYS N A 121 LYS CA A 121 LYS C A 122 ASP N 1.0 -61.5 -28.2 PSI 203 203 A 121 LYS C A 122 ASP N A 122 ASP CA A 122 ASP C 1.0 -74.1 -53.2 PHI 204 204 A 122 ASP N A 122 ASP CA A 122 ASP C A 123 GLU N 1.0 -52.0 -26.9 PSI 205 205 A 122 ASP C A 123 GLU N A 123 GLU CA A 123 GLU C 1.0 -74.2 -50.9 PHI 206 206 A 123 GLU N A 123 GLU CA A 123 GLU C A 124 LEU N 1.0 -54.5 -34.1 PSI 207 207 A 123 GLU C A 124 LEU N A 124 LEU CA A 124 LEU C 1.0 -98.8 -31.2 PHI 208 208 A 124 LEU N A 124 LEU CA A 124 LEU C A 125 GLU N 1.0 -69.0 2.1 PSI 209 209 A 124 LEU C A 125 GLU N A 125 GLU CA A 125 GLU C 1.0 -76.8 -54.0 PHI 210 210 A 125 GLU N A 125 GLU CA A 125 GLU C A 126 LYS N 1.0 -50.0 -2.5 PSI 211 211 A 125 GLU C A 126 LYS N A 126 LYS CA A 126 LYS C 1.0 -98.5 -49.8 PHI 212 212 A 126 LYS N A 126 LYS CA A 126 LYS C A 127 GLY N 1.0 -49.2 3.6 PSI 213 213 A 128 ILE C A 129 GLY N A 129 GLY CA A 129 GLY C 1.0 37.2 38.4 PHI 214 214 A 129 GLY N A 129 GLY CA A 129 GLY C A 130 PRO N 1.0 74.8 252.5 PSI stop_ save_