data_nef_c18522_2lui 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 13 GLY . . . 2 A 14 SER . . . 3 A 15 PRO . . . 4 A 16 GLY . . . 5 A 17 ILE . . . 6 A 18 PRO . . . 7 A 19 VAL . . . 8 A 20 PRO . . . 9 A 21 GLY . . . 10 A 22 LYS . . . 11 A 23 VAL . . . 12 A 24 THR . . . 13 A 25 LEU . . . 14 A 26 GLN . . . 15 A 27 LYS . . . 16 A 28 ASP . . . 17 A 29 ALA . . . 18 A 30 GLN . . . 19 A 31 ASN . . . 20 A 32 LEU . . . 21 A 33 ILE . . . 22 A 34 GLY . . . 23 A 35 ILE . . . 24 A 36 SER . . . 25 A 37 ILE . . . 26 A 38 GLY . . . 27 A 39 GLY . . . 28 A 40 GLY . . . 29 A 41 ALA . . . 30 A 42 GLN . . . 31 A 43 TYR . . . 32 A 44 CYS . . . 33 A 45 PRO . . . 34 A 46 CYS . . . 35 A 47 LEU . . . 36 A 48 TYR . . . 37 A 49 ILE . . . 38 A 50 VAL . . . 39 A 51 GLN . . . 40 A 52 VAL . . . 41 A 53 PHE . . . 42 A 54 ASP . . . 43 A 55 ASN . . . 44 A 56 THR . . . 45 A 57 PRO . . . 46 A 58 ALA . . . 47 A 59 ALA . . . 48 A 60 LEU . . . 49 A 61 ASP . . . 50 A 62 GLY . . . 51 A 63 THR . . . 52 A 64 VAL . . . 53 A 65 ALA . . . 54 A 66 ALA . . . 55 A 67 GLY . . . 56 A 68 ASP . . . 57 A 69 GLU . . . 58 A 70 ILE . . . 59 A 71 THR . . . 60 A 72 GLY . . . 61 A 73 VAL . . . 62 A 74 ASN . . . 63 A 75 GLY . . . 64 A 76 ARG . . . 65 A 77 SER . . . 66 A 78 ILE . . . 67 A 79 LYS . . . 68 A 80 GLY . . . 69 A 81 LYS . . . 70 A 82 THR . . . 71 A 83 LYS . . . 72 A 84 VAL . . . 73 A 85 GLU . . . 74 A 86 VAL . . . 75 A 87 ALA . . . 76 A 88 LYS . . . 77 A 89 MET . . . 78 A 90 ILE . . . 79 A 91 GLN . . . 80 A 92 GLU . . . 81 A 93 VAL . . . 82 A 94 LYS . . . 83 A 95 GLY . . . 84 A 96 GLU . . . 85 A 97 VAL . . . 86 A 98 THR . . . 87 A 99 ILE . . . 88 A 100 HIS . . . 89 A 101 TYR . . . 90 A 102 ASN . . . 91 A 103 LYS . . . 92 A 104 LEU . . . 93 A 105 GLN . . . 94 A 106 ALA . . . 95 A 107 ASP . . . 96 A 108 PRO . . . 97 A 109 LYS . . . 98 A 110 GLN . . . 99 A 111 LEU . . . 100 A 112 GLU . . . 101 A 113 VAL . . . 102 A 114 LEU . . . 103 A 115 PHE . . . 104 A 116 GLN . . . 105 A 117 GLY . . . 106 A 118 PRO . . . 107 A 119 GLN . . . 108 A 120 PHE . . . 109 A 121 THR . . . 110 A 122 LEU . . . 111 A 123 ARG . . . 112 A 124 HIS . . . 113 A 125 TRP . . . 114 A 126 LEU . . . 115 A 127 LYS . . . 116 A 128 VAL . . . stop_ save_ save_chemical_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode chemical_shift_list 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 15 PRO C C 13 177.225 0.000 A 15 PRO CA C 13 63.508 0.000 A 15 PRO CB C 13 32.090 0.000 A 16 GLY H H 1 8.489 0.003 A 16 GLY HAy H 1 3.947 0.017 A 16 GLY HAx H 1 3.909 0.015 A 16 GLY C C 13 173.398 0.000 A 16 GLY CA C 13 45.128 0.033 A 16 GLY N N 15 108.829 0.038 A 17 ILE H H 1 8.014 0.004 A 17 ILE HA H 1 4.554 0.005 A 17 ILE HB H 1 1.894 0.012 A 17 ILE HD1% H 1 0.866 0.003 A 17 ILE HG1y H 1 1.509 0.026 A 17 ILE HG1x H 1 1.172 0.007 A 17 ILE HG2% H 1 0.955 0.020 A 17 ILE C C 13 174.332 0.000 A 17 ILE CA C 13 58.245 0.053 A 17 ILE CB C 13 38.762 0.051 A 17 ILE CD1 C 13 12.552 0.036 A 17 ILE CG1 C 13 26.758 0.182 A 17 ILE CG2 C 13 16.942 0.129 A 17 ILE N N 15 121.763 0.024 A 18 PRO HBx H 1 1.679 0.007 A 18 PRO HBy H 1 2.137 0.006 A 18 PRO HDy H 1 3.912 0.021 A 18 PRO HDx H 1 3.737 0.033 A 18 PRO HGy H 1 2.013 0.022 A 18 PRO HGx H 1 2.002 0.035 A 18 PRO C C 13 176.437 0.000 A 18 PRO CA C 13 62.667 0.000 A 18 PRO CB C 13 32.469 0.145 A 18 PRO CD C 13 51.014 0.058 A 19 VAL H H 1 8.754 0.002 A 19 VAL HA H 1 4.550 0.023 A 19 VAL HB H 1 2.107 0.009 A 19 VAL HGy% H 1 1.003 0.008 A 19 VAL C C 13 174.453 0.000 A 19 VAL CA C 13 59.846 0.126 A 19 VAL CB C 13 33.510 0.045 A 19 VAL CGy C 13 21.087 0.161 A 19 VAL N N 15 123.849 0.039 A 20 PRO HA H 1 5.338 0.003 A 20 PRO HBy H 1 2.304 0.006 A 20 PRO HBx H 1 1.890 0.004 A 20 PRO HDx H 1 3.820 0.010 A 20 PRO HGx H 1 2.019 0.007 A 20 PRO C C 13 177.585 0.000 A 20 PRO CA C 13 62.406 0.059 A 20 PRO CB C 13 32.891 0.076 A 20 PRO CD C 13 51.603 0.000 A 21 GLY H H 1 8.258 0.005 A 21 GLY HAy H 1 4.048 0.008 A 21 GLY HAx H 1 3.320 0.009 A 21 GLY C C 13 171.443 0.000 A 21 GLY CA C 13 44.581 0.067 A 21 GLY N N 15 108.426 0.063 A 22 LYS H H 1 8.175 0.005 A 22 LYS HA H 1 4.039 0.000 A 22 LYS HGx H 1 1.242 0.008 A 22 LYS C C 13 174.463 0.016 A 22 LYS CA C 13 55.263 0.000 A 22 LYS CB C 13 35.227 0.012 A 22 LYS CG C 13 25.660 0.000 A 22 LYS N N 15 117.372 0.057 A 23 VAL H H 1 8.862 0.010 A 23 VAL HA H 1 4.708 0.003 A 23 VAL HB H 1 2.161 0.002 A 23 VAL HGx% H 1 0.944 0.010 A 23 VAL HGy% H 1 1.044 0.009 A 23 VAL C C 13 171.873 0.004 A 23 VAL CA C 13 59.866 0.022 A 23 VAL CB C 13 35.269 0.041 A 23 VAL CGx C 13 19.260 0.070 A 23 VAL CGy C 13 21.529 0.029 A 23 VAL N N 15 120.387 0.033 A 24 THR H H 1 8.859 0.006 A 24 THR HA H 1 5.121 0.047 A 24 THR HB H 1 3.803 0.003 A 24 THR HG2% H 1 1.000 0.019 A 24 THR C C 13 173.407 0.000 A 24 THR CA C 13 62.115 0.004 A 24 THR CB C 13 69.606 0.062 A 24 THR N N 15 125.797 0.090 A 25 LEU H H 1 9.258 0.009 A 25 LEU HA H 1 4.809 0.005 A 25 LEU HBx H 1 1.250 0.012 A 25 LEU HBy H 1 1.586 0.012 A 25 LEU HDx% H 1 0.773 0.011 A 25 LEU HDy% H 1 0.837 0.011 A 25 LEU C C 13 175.029 0.015 A 25 LEU CA C 13 52.623 0.024 A 25 LEU CB C 13 46.242 0.108 A 25 LEU N N 15 127.960 0.029 A 26 GLN H H 1 8.530 0.005 A 26 GLN HA H 1 4.482 0.018 A 26 GLN HBy H 1 2.089 0.004 A 26 GLN HBx H 1 1.946 0.003 A 26 GLN HE2y H 1 7.725 0.000 A 26 GLN HE2x H 1 7.019 0.003 A 26 GLN HGx H 1 2.422 0.004 A 26 GLN C C 13 174.515 0.000 A 26 GLN CA C 13 54.576 0.056 A 26 GLN CB C 13 29.516 0.108 A 26 GLN CG C 13 33.976 0.044 A 26 GLN N N 15 120.858 0.032 A 26 GLN NE2 N 15 113.374 0.059 A 27 LYS H H 1 8.099 0.005 A 27 LYS HA H 1 4.180 0.004 A 27 LYS HBy H 1 1.893 0.026 A 27 LYS HBx H 1 1.607 0.004 A 27 LYS HDy H 1 1.571 0.011 A 27 LYS HDx H 1 1.397 0.013 A 27 LYS HEx H 1 2.742 0.000 A 27 LYS HEy H 1 2.808 0.000 A 27 LYS HGx H 1 1.207 0.013 A 27 LYS C C 13 177.468 0.000 A 27 LYS CA C 13 55.956 0.051 A 27 LYS CB C 13 34.099 0.079 A 27 LYS CD C 13 29.115 0.156 A 27 LYS N N 15 119.583 0.070 A 28 ASP H H 1 8.888 0.005 A 28 ASP HA H 1 4.590 0.034 A 28 ASP HBy H 1 3.387 0.008 A 28 ASP HBx H 1 2.542 0.010 A 28 ASP C C 13 178.392 0.000 A 28 ASP CA C 13 52.426 0.029 A 28 ASP CB C 13 41.377 0.045 A 28 ASP N N 15 121.439 0.064 A 29 ALA H H 1 8.392 0.005 A 29 ALA HA H 1 4.188 0.006 A 29 ALA HB% H 1 1.471 0.004 A 29 ALA C C 13 178.763 0.000 A 29 ALA CA C 13 54.434 0.034 A 29 ALA CB C 13 18.293 0.096 A 29 ALA N N 15 119.578 0.053 A 30 GLN H H 1 8.353 0.011 A 30 GLN HA H 1 4.399 0.009 A 30 GLN HBy H 1 2.300 0.005 A 30 GLN HBx H 1 2.128 0.008 A 30 GLN HE2y H 1 7.556 0.005 A 30 GLN HE2x H 1 6.947 0.003 A 30 GLN HGx H 1 2.324 0.008 A 30 GLN C C 13 175.168 0.000 A 30 GLN CA C 13 55.339 0.069 A 30 GLN CB C 13 28.589 0.052 A 30 GLN CG C 13 34.839 0.036 A 30 GLN N N 15 117.564 0.113 A 30 GLN NE2 N 15 112.871 0.091 A 31 ASN H H 1 8.521 0.006 A 31 ASN HA H 1 4.315 0.005 A 31 ASN HBx H 1 2.528 0.003 A 31 ASN HBy H 1 3.536 0.008 A 31 ASN HD2x H 1 7.468 0.007 A 31 ASN HD2y H 1 7.869 0.002 A 31 ASN C C 13 174.043 0.000 A 31 ASN CA C 13 54.303 0.076 A 31 ASN CB C 13 37.610 0.034 A 31 ASN N N 15 115.365 0.032 A 31 ASN ND2 N 15 113.103 0.141 A 32 LEU H H 1 8.155 0.008 A 32 LEU HA H 1 4.900 0.016 A 32 LEU HBx H 1 1.268 0.008 A 32 LEU HBy H 1 1.938 0.011 A 32 LEU HDx% H 1 0.787 0.004 A 32 LEU HDy% H 1 0.780 0.005 A 32 LEU HG H 1 1.500 0.004 A 32 LEU C C 13 178.117 0.000 A 32 LEU CA C 13 53.957 0.007 A 32 LEU CB C 13 44.774 0.090 A 32 LEU CDx C 13 23.014 0.079 A 32 LEU N N 15 118.660 0.055 A 33 ILE H H 1 11.488 0.007 A 33 ILE HA H 1 4.674 0.006 A 33 ILE HB H 1 1.950 0.015 A 33 ILE HD1% H 1 0.725 0.031 A 33 ILE HG1y H 1 1.541 0.024 A 33 ILE HG1x H 1 1.497 0.014 A 33 ILE HG2% H 1 0.774 0.015 A 33 ILE C C 13 176.185 0.000 A 33 ILE CA C 13 62.602 0.156 A 33 ILE CB C 13 39.016 0.039 A 33 ILE CD1 C 13 13.994 0.172 A 33 ILE CG1 C 13 25.913 0.204 A 33 ILE CG2 C 13 19.728 0.078 A 33 ILE N N 15 116.785 0.080 A 34 GLY H H 1 9.854 0.009 A 34 GLY HAx H 1 3.787 0.006 A 34 GLY HAy H 1 5.199 0.003 A 34 GLY C C 13 173.993 0.000 A 34 GLY CA C 13 45.980 0.014 A 34 GLY N N 15 111.234 0.050 A 35 ILE H H 1 7.835 0.006 A 35 ILE HA H 1 5.535 0.012 A 35 ILE HB H 1 2.018 0.022 A 35 ILE HD1% H 1 0.597 0.031 A 35 ILE HG1y H 1 1.269 0.011 A 35 ILE HG1x H 1 1.140 0.005 A 35 ILE HG2% H 1 0.709 0.028 A 35 ILE C C 13 175.033 0.000 A 35 ILE CA C 13 58.415 0.088 A 35 ILE CB C 13 41.577 0.046 A 35 ILE CD1 C 13 13.414 0.065 A 35 ILE CG1 C 13 26.068 0.098 A 35 ILE CG2 C 13 17.968 0.056 A 35 ILE N N 15 111.117 0.040 A 36 SER H H 1 8.623 0.007 A 36 SER HA H 1 4.232 0.022 A 36 SER HG H 1 5.907 0.006 A 36 SER C C 13 174.735 0.000 A 36 SER CA C 13 56.121 0.022 A 36 SER CB C 13 66.097 0.044 A 36 SER N N 15 114.908 0.066 A 37 ILE H H 1 9.130 0.011 A 37 ILE C C 13 174.340 0.000 A 37 ILE CA C 13 59.123 0.004 A 37 ILE CB C 13 41.637 0.000 A 37 ILE N N 15 117.739 0.044 A 38 GLY H H 1 8.841 0.008 A 38 GLY HAx H 1 3.625 0.014 A 38 GLY HAy H 1 4.747 0.006 A 38 GLY CA C 13 44.112 0.018 A 38 GLY N N 15 108.069 0.073 A 39 GLY H H 1 8.187 0.000 A 39 GLY C C 13 173.956 0.000 A 39 GLY N N 15 109.016 0.000 A 40 GLY H H 1 8.275 0.008 A 40 GLY HAx H 1 3.768 0.030 A 40 GLY HAy H 1 3.947 0.009 A 40 GLY C C 13 174.255 0.000 A 40 GLY CA C 13 47.098 0.076 A 40 GLY N N 15 111.783 0.031 A 41 ALA H H 1 8.012 0.006 A 41 ALA HA H 1 4.559 0.006 A 41 ALA HB% H 1 1.020 0.005 A 41 ALA CA C 13 51.073 0.086 A 41 ALA CB C 13 21.926 0.016 A 41 ALA N N 15 123.128 0.055 A 42 GLN HE2x H 1 6.862 0.000 A 42 GLN NE2 N 15 112.363 0.000 A 43 TYR HA H 1 4.549 0.006 A 43 TYR HBx H 1 3.085 0.009 A 43 TYR HBy H 1 3.258 0.007 A 43 TYR CA C 13 57.147 0.033 A 43 TYR CB C 13 37.495 0.119 A 44 CYS H H 1 7.504 0.010 A 44 CYS HA H 1 4.859 0.002 A 44 CYS HBx H 1 2.855 0.008 A 44 CYS HBy H 1 2.934 0.005 A 44 CYS CA C 13 57.406 0.019 A 44 CYS CB C 13 27.673 0.042 A 44 CYS N N 15 119.332 0.157 A 45 PRO HA H 1 4.413 0.007 A 45 PRO HBx H 1 2.039 0.002 A 45 PRO HBy H 1 2.308 0.002 A 45 PRO HDx H 1 3.962 0.026 A 45 PRO HGy H 1 2.083 0.024 A 45 PRO HGx H 1 1.917 0.036 A 45 PRO CA C 13 64.885 0.106 A 45 PRO CB C 13 32.318 0.000 A 45 PRO CD C 13 50.569 0.000 A 45 PRO CG C 13 27.838 0.000 A 46 CYS H H 1 7.973 0.004 A 46 CYS C C 13 172.064 0.000 A 46 CYS CA C 13 60.066 0.046 A 46 CYS CB C 13 28.715 0.007 A 46 CYS N N 15 117.327 0.155 A 47 LEU H H 1 8.629 0.005 A 47 LEU HA H 1 4.928 0.025 A 47 LEU HDx% H 1 0.782 0.007 A 47 LEU HDy% H 1 0.894 0.012 A 47 LEU HG H 1 1.545 0.005 A 47 LEU C C 13 175.076 0.000 A 47 LEU CA C 13 53.278 0.032 A 47 LEU CB C 13 44.321 0.051 A 47 LEU CDx C 13 24.970 0.045 A 47 LEU CG C 13 27.388 0.167 A 47 LEU N N 15 124.270 0.061 A 48 TYR H H 1 8.761 0.005 A 48 TYR HA H 1 5.255 0.006 A 48 TYR HBx H 1 2.131 0.017 A 48 TYR HBy H 1 2.720 0.006 A 48 TYR HDx H 1 6.969 0.000 A 48 TYR HDy H 1 6.969 0.000 A 48 TYR HEx H 1 6.775 0.000 A 48 TYR HEy H 1 6.775 0.000 A 48 TYR C C 13 175.766 0.000 A 48 TYR CA C 13 56.696 0.044 A 48 TYR CB C 13 42.590 0.034 A 48 TYR N N 15 119.326 0.075 A 49 ILE H H 1 8.959 0.007 A 49 ILE HA H 1 4.215 0.007 A 49 ILE HB H 1 2.020 0.003 A 49 ILE HD1% H 1 0.546 0.007 A 49 ILE HG1y H 1 1.755 0.012 A 49 ILE HG1x H 1 0.774 0.009 A 49 ILE HG2% H 1 0.663 0.008 A 49 ILE C C 13 177.429 0.000 A 49 ILE CA C 13 62.456 0.130 A 49 ILE CB C 13 37.352 0.079 A 49 ILE CD1 C 13 17.025 0.146 A 49 ILE N N 15 120.259 0.066 A 50 VAL HA H 1 3.937 0.001 A 50 VAL HB H 1 1.994 0.016 A 50 VAL HGx% H 1 0.972 0.004 A 50 VAL HGy% H 1 1.109 0.004 A 50 VAL C C 13 174.408 0.000 A 50 VAL CA C 13 62.259 0.115 A 50 VAL CB C 13 31.584 0.039 A 50 VAL CGy C 13 22.566 0.058 A 50 VAL CGx C 13 22.362 0.484 A 51 GLN H H 1 6.967 0.007 A 51 GLN HA H 1 4.103 0.005 A 51 GLN HBy H 1 1.527 0.003 A 51 GLN HBx H 1 1.131 0.011 A 51 GLN HE2y H 1 7.252 0.003 A 51 GLN HE2x H 1 6.720 0.006 A 51 GLN HGy H 1 1.641 0.007 A 51 GLN HGx H 1 1.330 0.004 A 51 GLN C C 13 172.856 0.000 A 51 GLN CA C 13 55.127 0.070 A 51 GLN CB C 13 32.376 0.129 A 51 GLN CG C 13 33.233 0.027 A 51 GLN N N 15 116.821 0.050 A 51 GLN NE2 N 15 111.389 0.071 A 52 VAL H H 1 8.447 0.004 A 52 VAL HA H 1 4.277 0.024 A 52 VAL HB H 1 1.800 0.012 A 52 VAL HGx% H 1 0.717 0.006 A 52 VAL HGy% H 1 0.622 0.005 A 52 VAL C C 13 176.198 0.000 A 52 VAL CA C 13 61.574 0.080 A 52 VAL CB C 13 32.875 0.041 A 52 VAL CGx C 13 20.449 0.056 A 52 VAL CGy C 13 20.590 0.080 A 52 VAL N N 15 123.482 0.067 A 53 PHE H H 1 8.707 0.014 A 53 PHE HA H 1 4.400 0.010 A 53 PHE HBy H 1 3.125 0.003 A 53 PHE HBx H 1 2.767 0.006 A 53 PHE HDx H 1 6.981 0.000 A 53 PHE HDy H 1 6.981 0.000 A 53 PHE HEx H 1 7.129 0.026 A 53 PHE HEy H 1 7.129 0.026 A 53 PHE C C 13 175.299 0.000 A 53 PHE CA C 13 58.494 0.237 A 53 PHE CB C 13 39.561 0.053 A 53 PHE N N 15 128.296 0.040 A 54 ASP H H 1 8.901 0.005 A 54 ASP HA H 1 4.272 0.002 A 54 ASP HBx H 1 2.586 0.013 A 54 ASP HBy H 1 2.598 0.005 A 54 ASP C C 13 176.837 0.000 A 54 ASP CA C 13 55.291 0.077 A 54 ASP CB C 13 41.093 0.023 A 54 ASP N N 15 122.696 0.056 A 55 ASN H H 1 9.319 0.005 A 55 ASN HA H 1 4.258 0.005 A 55 ASN HBx H 1 2.896 0.017 A 55 ASN HBy H 1 3.076 0.003 A 55 ASN HD2y H 1 7.740 0.004 A 55 ASN HD2x H 1 7.001 0.009 A 55 ASN C C 13 173.714 0.000 A 55 ASN CA C 13 54.958 0.068 A 55 ASN CB C 13 37.150 0.039 A 55 ASN N N 15 113.923 0.061 A 55 ASN ND2 N 15 114.222 0.042 A 56 THR H H 1 7.149 0.009 A 56 THR HA H 1 5.377 0.004 A 56 THR HB H 1 4.058 0.024 A 56 THR HG1 H 1 5.031 0.019 A 56 THR HG2% H 1 1.290 0.010 A 56 THR CA C 13 59.712 0.000 A 56 THR CB C 13 69.529 0.080 A 56 THR CG2 C 13 21.918 0.053 A 56 THR N N 15 108.020 0.033 A 57 PRO HA H 1 4.304 0.009 A 57 PRO HBy H 1 2.676 0.016 A 57 PRO HBx H 1 2.151 0.008 A 57 PRO HDy H 1 4.054 0.014 A 57 PRO HDx H 1 3.655 0.011 A 57 PRO HGx H 1 2.112 0.011 A 57 PRO HGy H 1 2.631 0.013 A 57 PRO C C 13 180.141 0.000 A 57 PRO CA C 13 66.090 0.092 A 57 PRO CB C 13 33.194 0.000 A 57 PRO CG C 13 29.050 0.198 A 58 ALA H H 1 8.938 0.006 A 58 ALA HA H 1 4.035 0.004 A 58 ALA HB% H 1 1.145 0.008 A 58 ALA C C 13 180.647 0.000 A 58 ALA CA C 13 55.195 0.035 A 58 ALA CB C 13 18.880 0.064 A 58 ALA N N 15 116.854 0.047 A 59 ALA H H 1 7.658 0.006 A 59 ALA HA H 1 4.030 0.003 A 59 ALA HB% H 1 1.705 0.002 A 59 ALA C C 13 179.852 0.000 A 59 ALA CA C 13 54.939 0.046 A 59 ALA CB C 13 19.688 0.094 A 59 ALA N N 15 123.250 0.022 A 60 LEU H H 1 8.636 0.025 A 60 LEU HA H 1 4.026 0.004 A 60 LEU HBx H 1 1.580 0.007 A 60 LEU HBy H 1 1.717 0.018 A 60 LEU HDx% H 1 0.905 0.028 A 60 LEU HDy% H 1 0.830 0.016 A 60 LEU HG H 1 1.703 0.008 A 60 LEU C C 13 179.238 0.000 A 60 LEU CA C 13 57.261 0.065 A 60 LEU CB C 13 41.445 0.059 A 60 LEU CDx C 13 23.149 0.026 A 60 LEU CDy C 13 23.725 0.213 A 60 LEU CG C 13 27.592 0.044 A 60 LEU N N 15 118.654 0.034 A 61 ASP H H 1 7.665 0.007 A 61 ASP HA H 1 4.421 0.005 A 61 ASP HBy H 1 2.716 0.003 A 61 ASP HBx H 1 2.488 0.004 A 61 ASP C C 13 177.668 0.000 A 61 ASP CA C 13 57.087 0.063 A 61 ASP CB C 13 44.478 0.098 A 61 ASP N N 15 117.382 0.053 A 62 GLY H H 1 7.216 0.008 A 62 GLY HAy H 1 4.014 0.002 A 62 GLY HAx H 1 3.930 0.002 A 62 GLY C C 13 174.776 0.000 A 62 GLY CA C 13 46.533 0.035 A 62 GLY N N 15 103.228 0.035 A 63 THR H H 1 8.319 0.008 A 63 THR HA H 1 3.907 0.006 A 63 THR HG2% H 1 1.057 0.002 A 63 THR C C 13 175.961 0.002 A 63 THR CA C 13 66.478 0.035 A 63 THR CB C 13 68.268 0.063 A 63 THR N N 15 117.230 0.041 A 64 VAL H H 1 8.147 0.005 A 64 VAL HA H 1 3.950 0.004 A 64 VAL HB H 1 1.846 0.007 A 64 VAL HGx% H 1 0.280 0.005 A 64 VAL HGy% H 1 0.635 0.022 A 64 VAL C C 13 173.883 0.000 A 64 VAL CA C 13 60.708 0.222 A 64 VAL CB C 13 33.079 0.015 A 64 VAL CGy C 13 20.996 0.043 A 64 VAL CGx C 13 17.189 0.191 A 64 VAL N N 15 113.826 0.019 A 65 ALA H H 1 8.633 0.010 A 65 ALA HA H 1 4.414 0.003 A 65 ALA HB% H 1 1.241 0.004 A 65 ALA C C 13 175.247 0.011 A 65 ALA CA C 13 50.440 0.110 A 65 ALA CB C 13 23.266 0.026 A 65 ALA N N 15 123.521 0.053 A 66 ALA H H 1 8.451 0.008 A 66 ALA HA H 1 3.720 0.003 A 66 ALA HB% H 1 1.146 0.006 A 66 ALA C C 13 178.411 0.000 A 66 ALA CA C 13 53.016 0.022 A 66 ALA CB C 13 17.840 0.058 A 66 ALA N N 15 120.818 0.051 A 67 GLY H H 1 9.600 0.005 A 67 GLY HAx H 1 3.350 0.005 A 67 GLY HAy H 1 4.545 0.005 A 67 GLY C C 13 173.296 0.000 A 67 GLY CA C 13 45.025 0.030 A 67 GLY N N 15 112.260 0.040 A 68 ASP H H 1 8.043 0.004 A 68 ASP HA H 1 4.861 0.009 A 68 ASP HBx H 1 2.484 0.006 A 68 ASP HBy H 1 2.741 0.007 A 68 ASP C C 13 174.937 0.000 A 68 ASP CA C 13 55.641 0.035 A 68 ASP CB C 13 40.696 0.073 A 68 ASP N N 15 121.293 0.069 A 69 GLU H H 1 8.455 0.009 A 69 GLU C C 13 177.202 0.000 A 69 GLU CA C 13 54.472 0.015 A 69 GLU CB C 13 32.800 0.042 A 69 GLU N N 15 122.814 0.086 A 70 ILE H H 1 8.619 0.010 A 70 ILE HA H 1 4.526 0.003 A 70 ILE HB H 1 1.519 0.008 A 70 ILE HD1% H 1 0.661 0.008 A 70 ILE HG1y H 1 1.648 0.003 A 70 ILE HG1x H 1 0.900 0.001 A 70 ILE HG2% H 1 0.797 0.020 A 70 ILE C C 13 175.035 0.000 A 70 ILE CA C 13 60.918 0.033 A 70 ILE CB C 13 39.236 0.048 A 70 ILE CD1 C 13 13.139 0.234 A 70 ILE N N 15 125.862 0.095 A 71 THR H H 1 9.242 0.005 A 71 THR HA H 1 4.513 0.002 A 71 THR HB H 1 4.258 0.002 A 71 THR HG2% H 1 0.915 0.014 A 71 THR C C 13 176.425 0.000 A 71 THR CA C 13 61.158 0.122 A 71 THR CB C 13 69.604 0.058 A 71 THR N N 15 115.507 0.057 A 72 GLY H H 1 7.883 0.005 A 72 GLY HAy H 1 4.652 0.004 A 72 GLY HAx H 1 3.614 0.008 A 72 GLY C C 13 170.981 0.000 A 72 GLY CA C 13 46.554 0.016 A 72 GLY N N 15 111.789 0.027 A 73 VAL H H 1 8.424 0.006 A 73 VAL HB H 1 1.867 0.003 A 73 VAL HGx% H 1 0.801 0.017 A 73 VAL HGy% H 1 0.777 0.007 A 73 VAL C C 13 175.951 0.000 A 73 VAL CA C 13 60.982 0.036 A 73 VAL CB C 13 36.197 0.077 A 73 VAL CGy C 13 21.052 0.109 A 73 VAL CGx C 13 20.904 0.037 A 73 VAL N N 15 119.277 0.034 A 74 ASN H H 1 10.384 0.003 A 74 ASN HA H 1 4.520 0.010 A 74 ASN HBy H 1 3.318 0.004 A 74 ASN HBx H 1 2.788 0.007 A 74 ASN HD2x H 1 6.711 0.000 A 74 ASN HD2y H 1 7.938 0.005 A 74 ASN C C 13 174.878 0.000 A 74 ASN CA C 13 54.418 0.122 A 74 ASN CB C 13 36.655 0.059 A 74 ASN N N 15 127.731 0.051 A 74 ASN ND2 N 15 110.665 0.127 A 75 GLY H H 1 8.926 0.012 A 75 GLY HAy H 1 4.056 0.012 A 75 GLY HAx H 1 3.389 0.002 A 75 GLY C C 13 173.610 0.000 A 75 GLY CA C 13 45.261 0.090 A 75 GLY N N 15 104.633 0.062 A 76 ARG H H 1 7.753 0.008 A 76 ARG HA H 1 4.501 0.010 A 76 ARG HBx H 1 1.778 0.005 A 76 ARG HDx H 1 3.200 0.003 A 76 ARG HGy H 1 1.662 0.009 A 76 ARG HGx H 1 1.587 0.005 A 76 ARG C C 13 175.085 0.000 A 76 ARG CA C 13 54.252 0.165 A 76 ARG CB C 13 31.482 0.065 A 76 ARG CD C 13 43.543 0.015 A 76 ARG CG C 13 26.645 0.028 A 76 ARG N N 15 120.451 0.038 A 77 SER H H 1 8.555 0.006 A 77 SER HA H 1 4.483 0.004 A 77 SER HBy H 1 4.050 0.012 A 77 SER HBx H 1 3.761 0.036 A 77 SER C C 13 176.953 0.000 A 77 SER CA C 13 58.292 0.061 A 77 SER CB C 13 63.643 0.146 A 77 SER N N 15 116.586 0.104 A 78 ILE H H 1 7.599 0.015 A 78 ILE HA H 1 4.420 0.006 A 78 ILE HB H 1 2.274 0.005 A 78 ILE HD1% H 1 0.790 0.007 A 78 ILE HG1y H 1 0.907 0.010 A 78 ILE HG1x H 1 0.861 0.043 A 78 ILE HG2% H 1 0.795 0.007 A 78 ILE C C 13 175.072 0.000 A 78 ILE CA C 13 59.122 0.103 A 78 ILE CB C 13 36.758 0.027 A 78 ILE CD1 C 13 15.031 0.010 A 78 ILE CG1 C 13 27.251 0.199 A 78 ILE CG2 C 13 21.291 0.147 A 78 ILE N N 15 116.618 0.061 A 79 LYS H H 1 7.898 0.004 A 79 LYS HA H 1 4.049 0.002 A 79 LYS HBx H 1 1.676 0.007 A 79 LYS HBy H 1 1.754 0.006 A 79 LYS HGx H 1 1.454 0.009 A 79 LYS C C 13 178.333 0.000 A 79 LYS CA C 13 58.321 0.156 A 79 LYS CB C 13 31.635 0.061 A 79 LYS N N 15 123.287 0.043 A 80 GLY H H 1 8.999 0.005 A 80 GLY HAy H 1 4.156 0.004 A 80 GLY HAx H 1 3.700 0.006 A 80 GLY C C 13 174.385 0.000 A 80 GLY CA C 13 45.518 0.029 A 80 GLY N N 15 114.933 0.106 A 81 LYS H H 1 7.845 0.006 A 81 LYS HA H 1 4.043 0.000 A 81 LYS HBy H 1 1.912 0.004 A 81 LYS HBx H 1 1.786 0.005 A 81 LYS HDx H 1 1.199 0.043 A 81 LYS HDy H 1 1.394 0.012 A 81 LYS HGx H 1 1.576 0.000 A 81 LYS C C 13 177.064 0.000 A 81 LYS CA C 13 54.722 0.004 A 81 LYS CB C 13 33.560 0.178 A 81 LYS N N 15 119.403 0.043 A 82 THR H H 1 9.153 0.006 A 82 THR HA H 1 4.666 0.015 A 82 THR C C 13 175.955 0.000 A 82 THR CA C 13 60.438 0.035 A 82 THR CB C 13 71.629 0.024 A 82 THR N N 15 112.066 0.082 A 83 LYS H H 1 8.969 0.009 A 83 LYS HA H 1 3.870 0.011 A 83 LYS HBy H 1 1.950 0.016 A 83 LYS HBx H 1 1.781 0.010 A 83 LYS HDx H 1 1.551 0.014 A 83 LYS HDy H 1 1.576 0.009 A 83 LYS HEy H 1 2.966 0.003 A 83 LYS HEx H 1 2.965 0.003 A 83 LYS HGx H 1 1.377 0.006 A 83 LYS HGy H 1 1.450 0.006 A 83 LYS HZ1 H 1 7.633 0.000 A 83 LYS HZ2 H 1 7.633 0.000 A 83 LYS HZ3 H 1 7.633 0.000 A 83 LYS C C 13 177.464 0.000 A 83 LYS CA C 13 60.357 0.046 A 83 LYS CB C 13 31.350 0.115 A 83 LYS CD C 13 29.165 0.000 A 83 LYS CE C 13 42.133 0.000 A 83 LYS N N 15 118.730 0.040 A 84 VAL H H 1 7.631 0.010 A 84 VAL HA H 1 3.633 0.003 A 84 VAL HB H 1 1.987 0.005 A 84 VAL HGx% H 1 0.964 0.024 A 84 VAL HGy% H 1 1.112 0.003 A 84 VAL C C 13 178.315 0.000 A 84 VAL CA C 13 66.079 0.070 A 84 VAL CB C 13 32.091 0.067 A 84 VAL CGx C 13 21.046 0.087 A 84 VAL CGy C 13 22.888 0.034 A 84 VAL N N 15 117.444 0.062 A 85 GLU H H 1 7.617 0.010 A 85 GLU HA H 1 3.964 0.024 A 85 GLU HBx H 1 1.885 0.038 A 85 GLU HBy H 1 2.441 0.028 A 85 GLU HGy H 1 2.422 0.006 A 85 GLU HGx H 1 2.249 0.005 A 85 GLU C C 13 179.971 0.000 A 85 GLU CA C 13 59.316 0.064 A 85 GLU CB C 13 30.355 0.059 A 85 GLU CG C 13 37.702 0.095 A 85 GLU N N 15 120.890 0.019 A 86 VAL H H 1 8.368 0.008 A 86 VAL HA H 1 3.630 0.007 A 86 VAL HB H 1 1.962 0.012 A 86 VAL HGx% H 1 0.794 0.006 A 86 VAL HGy% H 1 0.984 0.011 A 86 VAL C C 13 177.217 0.000 A 86 VAL CA C 13 66.678 0.231 A 86 VAL CB C 13 31.307 0.043 A 86 VAL CGy C 13 20.973 0.042 A 86 VAL N N 15 121.246 0.092 A 87 ALA H H 1 8.577 0.006 A 87 ALA HA H 1 3.947 0.009 A 87 ALA HB% H 1 1.452 0.005 A 87 ALA C C 13 179.545 0.000 A 87 ALA CA C 13 55.851 0.101 A 87 ALA CB C 13 18.491 0.060 A 87 ALA N N 15 122.148 0.104 A 88 LYS H H 1 7.854 0.010 A 88 LYS HA H 1 4.051 0.004 A 88 LYS HBx H 1 1.875 0.043 A 88 LYS HBy H 1 1.922 0.026 A 88 LYS HDx H 1 1.677 0.006 A 88 LYS HEx H 1 2.976 0.008 A 88 LYS HGy H 1 1.537 0.004 A 88 LYS HGx H 1 1.434 0.009 A 88 LYS CA C 13 59.393 0.093 A 88 LYS CB C 13 32.058 0.080 A 88 LYS CD C 13 29.018 0.143 A 88 LYS CG C 13 24.828 0.138 A 88 LYS N N 15 117.733 0.056 A 89 MET H H 1 7.759 0.012 A 89 MET HA H 1 4.048 0.004 A 89 MET HBx H 1 2.117 0.004 A 89 MET HBy H 1 2.356 0.032 A 89 MET HGx H 1 2.495 0.005 A 89 MET HGy H 1 2.803 0.003 A 89 MET C C 13 178.791 0.000 A 89 MET CA C 13 59.128 0.093 A 89 MET CB C 13 33.801 0.091 A 89 MET CG C 13 31.822 0.093 A 89 MET N N 15 117.676 0.097 A 90 ILE H H 1 7.972 0.008 A 90 ILE HA H 1 3.590 0.013 A 90 ILE HB H 1 1.950 0.019 A 90 ILE HG1y H 1 0.762 0.004 A 90 ILE HG2% H 1 1.014 0.010 A 90 ILE C C 13 178.658 0.000 A 90 ILE CA C 13 65.482 0.048 A 90 ILE CB C 13 38.845 0.051 A 90 ILE CG1 C 13 30.559 0.043 A 90 ILE CG2 C 13 17.314 0.062 A 90 ILE N N 15 117.305 0.085 A 91 GLN H H 1 8.826 0.005 A 91 GLN HA H 1 3.998 0.010 A 91 GLN HBy H 1 2.358 0.005 A 91 GLN HBx H 1 2.138 0.005 A 91 GLN HGy H 1 2.715 0.007 A 91 GLN HGx H 1 2.518 0.007 A 91 GLN C C 13 178.274 0.000 A 91 GLN CA C 13 59.151 0.036 A 91 GLN CB C 13 28.934 0.083 A 91 GLN CG C 13 34.132 0.082 A 91 GLN N N 15 120.935 0.051 A 92 GLU H H 1 8.020 0.006 A 92 GLU HA H 1 4.061 0.007 A 92 GLU HBx H 1 2.092 0.003 A 92 GLU HBy H 1 2.184 0.001 A 92 GLU HGx H 1 2.409 0.013 A 92 GLU C C 13 176.824 0.000 A 92 GLU CA C 13 58.006 0.098 A 92 GLU CB C 13 29.890 0.023 A 92 GLU CG C 13 36.379 0.155 A 92 GLU N N 15 115.213 0.035 A 93 VAL H H 1 7.073 0.006 A 93 VAL HA H 1 3.930 0.005 A 93 VAL HB H 1 1.987 0.003 A 93 VAL HGx% H 1 1.119 0.012 A 93 VAL HGy% H 1 0.986 0.019 A 93 VAL C C 13 176.016 0.000 A 93 VAL CA C 13 63.153 0.071 A 93 VAL CB C 13 32.154 0.048 A 93 VAL CGx C 13 21.681 0.054 A 93 VAL CGy C 13 22.607 0.055 A 93 VAL N N 15 119.047 0.037 A 94 LYS H H 1 8.762 0.005 A 94 LYS C C 13 177.460 0.017 A 94 LYS CA C 13 55.753 0.022 A 94 LYS CB C 13 32.332 0.019 A 94 LYS N N 15 128.366 0.045 A 95 GLY H H 1 8.673 0.006 A 95 GLY HAx H 1 3.718 0.003 A 95 GLY HAy H 1 4.248 0.002 A 95 GLY C C 13 173.468 0.000 A 95 GLY CA C 13 46.243 0.046 A 95 GLY N N 15 112.528 0.044 A 96 GLU H H 1 8.297 0.005 A 96 GLU HA H 1 4.749 0.004 A 96 GLU HBx H 1 1.706 0.003 A 96 GLU HBy H 1 1.933 0.005 A 96 GLU HGy H 1 2.081 0.008 A 96 GLU HGx H 1 2.075 0.005 A 96 GLU C C 13 174.583 0.000 A 96 GLU CA C 13 55.821 0.016 A 96 GLU CB C 13 31.410 0.086 A 96 GLU CG C 13 35.415 0.051 A 96 GLU N N 15 121.485 0.027 A 97 VAL H H 1 9.096 0.006 A 97 VAL HA H 1 4.665 0.002 A 97 VAL HB H 1 1.978 0.010 A 97 VAL HGx% H 1 0.931 0.017 A 97 VAL HGy% H 1 0.991 0.013 A 97 VAL C C 13 173.047 0.000 A 97 VAL CA C 13 60.114 0.063 A 97 VAL CB C 13 35.184 0.061 A 97 VAL CGx C 13 21.621 0.539 A 97 VAL CGy C 13 21.991 0.001 A 97 VAL N N 15 120.501 0.094 A 98 THR H H 1 9.352 0.006 A 98 THR HA H 1 4.076 0.000 A 98 THR HB H 1 4.664 0.002 A 98 THR HG1 H 1 5.193 0.000 A 98 THR HG2% H 1 0.995 0.017 A 98 THR C C 13 173.807 0.000 A 98 THR CA C 13 61.735 0.010 A 98 THR CB C 13 69.531 0.041 A 98 THR CG2 C 13 22.194 0.213 A 98 THR N N 15 125.019 0.093 A 99 ILE H H 1 9.329 0.009 A 99 ILE HA H 1 4.661 0.004 A 99 ILE HB H 1 2.043 0.005 A 99 ILE HD1% H 1 0.763 0.018 A 99 ILE HG1y H 1 1.480 0.007 A 99 ILE HG1x H 1 1.310 0.029 A 99 ILE HG2% H 1 0.946 0.013 A 99 ILE C C 13 174.614 0.000 A 99 ILE CA C 13 58.258 0.062 A 99 ILE CB C 13 38.528 0.040 A 99 ILE CD1 C 13 10.721 0.094 A 99 ILE CG1 C 13 26.905 0.149 A 99 ILE CG2 C 13 17.059 0.285 A 99 ILE N N 15 128.383 0.074 A 100 HIS H H 1 8.647 0.009 A 100 HIS HA H 1 4.948 0.003 A 100 HIS HBx H 1 2.701 0.014 A 100 HIS HBy H 1 3.019 0.001 A 100 HIS C C 13 174.787 0.000 A 100 HIS CA C 13 54.620 0.051 A 100 HIS N N 15 128.279 0.046 A 101 TYR H H 1 8.414 0.011 A 101 TYR HA H 1 5.947 0.002 A 101 TYR C C 13 173.769 0.009 A 101 TYR CA C 13 55.669 0.025 A 101 TYR CB C 13 42.195 0.018 A 101 TYR N N 15 121.320 0.046 A 102 ASN H H 1 9.282 0.010 A 102 ASN HA H 1 5.335 0.007 A 102 ASN HBy H 1 2.750 0.018 A 102 ASN HBx H 1 2.483 0.007 A 102 ASN C C 13 175.406 0.000 A 102 ASN CA C 13 51.961 0.041 A 102 ASN CB C 13 41.800 0.082 A 102 ASN N N 15 116.679 0.059 A 103 LYS H H 1 8.949 0.009 A 103 LYS HBy H 1 1.882 0.006 A 103 LYS HDx H 1 1.760 0.004 A 103 LYS HEx H 1 2.677 0.000 A 103 LYS HEy H 1 3.057 0.025 A 103 LYS HGy H 1 1.679 0.004 A 103 LYS HGx H 1 1.628 0.000 A 103 LYS C C 13 176.678 0.000 A 103 LYS CA C 13 55.006 0.000 A 103 LYS CD C 13 28.319 0.055 A 103 LYS CE C 13 41.906 0.245 A 103 LYS CG C 13 24.131 0.260 A 103 LYS N N 15 124.129 0.042 A 104 LEU H H 1 9.150 0.008 A 104 LEU HA H 1 4.425 0.006 A 104 LEU HBx H 1 1.639 0.017 A 104 LEU HBy H 1 1.701 0.000 A 104 LEU HDx% H 1 0.864 0.028 A 104 LEU HDy% H 1 0.977 0.012 A 104 LEU HG H 1 1.636 0.035 A 104 LEU CA C 13 55.060 0.079 A 104 LEU CB C 13 42.559 0.074 A 104 LEU CDx C 13 24.318 0.000 A 104 LEU CDy C 13 24.407 0.152 A 104 LEU CG C 13 27.237 0.060 A 104 LEU N N 15 127.043 0.101 A 105 GLN HA H 1 4.315 0.019 A 105 GLN HBx H 1 2.000 0.004 A 105 GLN HBy H 1 2.141 0.006 A 105 GLN C C 13 175.070 0.000 A 105 GLN CA C 13 55.490 0.081 A 105 GLN CB C 13 28.909 0.110 A 106 ALA H H 1 8.226 0.006 A 106 ALA HA H 1 4.366 0.029 A 106 ALA HB% H 1 1.228 0.007 A 106 ALA C C 13 176.392 0.000 A 106 ALA CA C 13 51.723 0.057 A 106 ALA CB C 13 20.185 0.051 A 106 ALA N N 15 125.133 0.079 A 107 ASP H H 1 8.429 0.003 A 107 ASP HA H 1 4.413 0.030 A 107 ASP HBx H 1 2.762 0.025 A 107 ASP C C 13 175.019 0.000 A 107 ASP CA C 13 55.642 0.013 A 107 ASP CB C 13 41.266 0.000 A 107 ASP N N 15 122.013 0.054 A 108 PRO HA H 1 4.207 0.003 A 108 PRO HBy H 1 2.348 0.022 A 108 PRO HBx H 1 1.950 0.001 A 108 PRO C C 13 178.840 0.000 A 108 PRO CA C 13 65.396 0.045 A 108 PRO CB C 13 32.181 0.036 A 109 LYS H H 1 8.335 0.009 A 109 LYS HA H 1 4.143 0.010 A 109 LYS HBx H 1 1.868 0.003 A 109 LYS HGx H 1 1.476 0.011 A 109 LYS C C 13 178.099 0.000 A 109 LYS CA C 13 58.167 0.047 A 109 LYS CB C 13 31.649 0.058 A 109 LYS N N 15 117.942 0.042 A 110 GLN H H 1 7.985 0.005 A 110 GLN HA H 1 4.130 0.006 A 110 GLN HBx H 1 2.070 0.004 A 110 GLN HBy H 1 2.152 0.014 A 110 GLN HGy H 1 2.450 0.003 A 110 GLN HGx H 1 2.341 0.011 A 110 GLN C C 13 178.298 0.000 A 110 GLN CA C 13 57.660 0.094 A 110 GLN CB C 13 28.720 0.034 A 110 GLN CG C 13 33.941 0.074 A 110 GLN N N 15 119.159 0.067 A 111 LEU H H 1 7.994 0.004 A 111 LEU HA H 1 3.877 0.004 A 111 LEU HBx H 1 1.444 0.013 A 111 LEU HBy H 1 1.654 0.014 A 111 LEU HDx% H 1 0.669 0.008 A 111 LEU HDy% H 1 0.748 0.005 A 111 LEU C C 13 177.729 0.000 A 111 LEU CA C 13 57.049 0.060 A 111 LEU CB C 13 41.466 0.067 A 111 LEU CDy C 13 24.973 0.033 A 111 LEU N N 15 120.490 0.034 A 112 GLU H H 1 7.760 0.007 A 112 GLU HA H 1 3.972 0.005 A 112 GLU HBy H 1 2.076 0.003 A 112 GLU HGy H 1 2.345 0.013 A 112 GLU HGx H 1 2.181 0.005 A 112 GLU C C 13 178.402 0.000 A 112 GLU CA C 13 59.056 0.071 A 112 GLU CB C 13 29.732 0.000 A 112 GLU CG C 13 36.313 0.079 A 112 GLU N N 15 118.251 0.205 A 113 VAL H H 1 7.437 0.007 A 113 VAL HA H 1 3.762 0.005 A 113 VAL HB H 1 2.080 0.004 A 113 VAL HGx% H 1 1.000 0.014 A 113 VAL HGy% H 1 0.912 0.002 A 113 VAL C C 13 178.107 0.000 A 113 VAL CA C 13 64.791 0.064 A 113 VAL CB C 13 32.149 0.089 A 113 VAL CGy C 13 21.880 0.096 A 113 VAL CGx C 13 21.186 0.021 A 113 VAL N N 15 117.229 0.050 A 114 LEU H H 1 7.765 0.006 A 114 LEU HA H 1 4.033 0.003 A 114 LEU HBy H 1 1.377 0.004 A 114 LEU HBx H 1 1.216 0.003 A 114 LEU C C 13 178.506 0.000 A 114 LEU CA C 13 57.243 0.032 A 114 LEU CB C 13 42.028 0.000 A 114 LEU N N 15 122.124 0.110 A 115 PHE H H 1 7.805 0.008 A 115 PHE HA H 1 4.224 0.011 A 115 PHE HBx H 1 2.851 0.009 A 115 PHE HBy H 1 3.090 0.011 A 115 PHE C C 13 175.621 0.000 A 115 PHE CA C 13 57.537 0.057 A 115 PHE CB C 13 38.057 0.000 A 115 PHE N N 15 115.346 0.063 A 116 GLN H H 1 7.974 0.000 A 116 GLN HA H 1 4.407 0.003 A 116 GLN HBx H 1 2.021 0.008 A 116 GLN HBy H 1 2.212 0.005 A 116 GLN C C 13 176.402 0.000 A 116 GLN CA C 13 55.521 0.044 A 116 GLN CB C 13 29.170 0.046 A 116 GLN N N 15 119.021 0.000 A 117 GLY H H 1 8.195 0.003 A 117 GLY HAy H 1 4.212 0.000 A 117 GLY HAx H 1 3.721 0.000 A 117 GLY CA C 13 45.124 0.000 A 117 GLY N N 15 108.868 0.069 A 118 PRO HA H 1 4.490 0.019 A 118 PRO HBx H 1 1.980 0.004 A 118 PRO HBy H 1 2.324 0.012 A 118 PRO HDx H 1 3.753 0.007 A 118 PRO HDy H 1 3.855 0.014 A 118 PRO HGx H 1 2.053 0.005 A 118 PRO C C 13 176.001 0.000 A 118 PRO CA C 13 63.523 0.074 A 118 PRO CB C 13 32.078 0.072 A 118 PRO CD C 13 50.973 0.196 A 118 PRO CG C 13 27.280 0.049 A 119 GLN H H 1 8.079 0.001 A 119 GLN C C 13 181.211 0.000 A 119 GLN CA C 13 57.416 0.000 A 119 GLN N N 15 126.950 0.056 A 123 ARG C C 13 174.608 0.000 A 123 ARG CA C 13 55.099 0.082 A 124 HIS H H 1 7.640 0.009 A 124 HIS HA H 1 4.718 0.009 A 124 HIS HBx H 1 3.034 0.007 A 124 HIS C C 13 176.040 0.000 A 124 HIS CA C 13 54.213 0.000 A 124 HIS CB C 13 31.164 0.000 A 124 HIS N N 15 122.212 0.113 A 125 TRP HE1 H 1 10.051 0.000 A 125 TRP C C 13 176.168 0.000 A 125 TRP NE1 N 15 127.858 0.000 A 126 LEU H H 1 8.606 0.003 A 126 LEU HA H 1 4.869 0.004 A 126 LEU HBy H 1 1.603 0.009 A 126 LEU HBx H 1 1.453 0.011 A 126 LEU HDx% H 1 0.902 0.004 A 126 LEU HDy% H 1 0.887 0.006 A 126 LEU HG H 1 1.551 0.005 A 126 LEU CA C 13 54.151 0.059 A 126 LEU CB C 13 45.144 0.044 A 126 LEU CDy C 13 24.695 0.102 A 126 LEU N N 15 121.893 0.017 A 127 LYS H H 1 8.647 0.005 A 127 LYS HA H 1 4.203 0.013 A 127 LYS HBx H 1 1.739 0.012 A 127 LYS HBy H 1 1.913 0.000 A 127 LYS HDx H 1 1.576 0.000 A 127 LYS HGx H 1 1.344 0.000 A 127 LYS HZ1 H 1 7.439 0.000 A 127 LYS HZ2 H 1 7.439 0.000 A 127 LYS HZ3 H 1 7.439 0.000 A 127 LYS C C 13 175.564 0.000 A 127 LYS CA C 13 57.252 0.130 A 127 LYS CB C 13 33.406 0.002 A 127 LYS N N 15 125.850 0.134 A 128 VAL H H 1 9.088 0.007 A 128 VAL HA H 1 4.436 0.003 A 128 VAL HB H 1 2.465 0.002 A 128 VAL HGx% H 1 0.909 0.013 A 128 VAL HGy% H 1 0.779 0.009 A 128 VAL C C 13 179.742 0.000 A 128 VAL CA C 13 61.751 0.098 A 128 VAL CB C 13 35.096 0.030 A 128 VAL CGx C 13 20.333 0.224 A 128 VAL CGy C 13 22.721 0.065 A 128 VAL N N 15 123.839 0.046 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 64 VAL H A 64 VAL HGy% 1.0 1.743 3.389 2 2 A 64 VAL H A 64 VAL HGx% 1.0 1.673 3.093 3 3 A 64 VAL H A 63 THR HG2% 1.0 1.842 3.908 4 4 A 64 VAL H A 63 THR HA 1.0 1.733 3.345 5 5 A 64 VAL H A 64 VAL HB 1.0 1.917 4.453 6 6 A 40 GLY H A 40 GLY HAy 1.0 1.843 3.913 7 7 A 40 GLY H A 40 GLY HAx 1.0 1.817 3.761 8 8 A 40 GLY H A 41 ALA H 1.0 1.911 4.399 9 9 A 58 ALA H A 33 ILE HG2% 1.0 1.788 3.610 10 10 A 58 ALA H A 58 ALA HB% 1.0 1.673 3.093 11 11 A 58 ALA H A 25 LEU HBy 1.0 0.000 6.000 12 12 A 58 ALA H A 57 PRO HBx 1.0 1.834 3.864 13 13 A 58 ALA H A 33 ILE HB 1.0 1.930 4.580 14 14 A 58 ALA H A 59 ALA HB% 1.0 0.000 6.000 15 15 A 58 ALA H A 57 PRO HGy 1.0 1.833 3.855 16 16 A 58 ALA H A 58 ALA HA 1.0 1.802 3.680 17 17 A 58 ALA H A 34 GLY HAy 1.0 1.952 4.802 18 18 A 58 ALA H A 57 PRO HDx 1.0 1.922 4.502 19 19 A 58 ALA H A 59 ALA H 1.0 1.868 4.078 20 20 A 22 LYS H A 23 VAL HGy% 1.0 0.000 6.000 21 21 A 88 LYS H A 88 LYS HGx 1.0 0.000 6.000 22 22 A 88 LYS H A 88 LYS HGy 1.0 0.000 6.000 23 23 A 31 ASN H A 30 GLN H 1.0 1.654 3.016 24 24 A 31 ASN H A 32 LEU H 1.0 1.709 3.241 25 25 A 31 ASN H A 31 ASN HA 1.0 1.635 2.945 26 26 A 31 ASN H A 29 ALA HA 1.0 1.789 3.611 27 27 A 31 ASN H A 31 ASN HBy 1.0 1.839 3.895 28 28 A 31 ASN H A 31 ASN HBx 1.0 1.802 3.682 29 29 A 31 ASN H A 30 GLN HBx 1.0 1.794 3.638 30 30 A 31 ASN H A 30 GLN HBy 1.0 1.888 4.222 31 31 A 31 ASN H A 27 LYS HBx 1.0 0.000 6.000 32 32 A 31 ASN H A 27 LYS HBy 1.0 1.866 4.064 33 33 A 31 ASN H A 29 ALA HB% 1.0 0.000 6.000 34 34 A 31 ASN H A 32 LEU HDy% 1.0 0.000 6.000 35 35 A 36 SER H A 35 ILE HD1% 1.0 1.783 3.585 36 36 A 36 SER H A 35 ILE HD1% 1.0 1.789 3.613 37 37 A 36 SER H A 35 ILE HB 1.0 1.816 3.756 38 38 A 36 SER H A 35 ILE HA 1.0 1.791 3.627 39 39 A 36 SER H A 51 GLN H 1.0 1.874 4.122 40 40 A 55 ASN H A 56 THR H 1.0 1.787 3.603 41 41 A 55 ASN H A 55 ASN HA 1.0 0.000 6.000 42 42 A 55 ASN H A 60 LEU HA 1.0 0.000 6.000 43 43 A 55 ASN H A 55 ASN HBy 1.0 1.809 3.721 44 44 A 55 ASN H A 55 ASN HBx 1.0 1.813 3.737 45 45 A 55 ASN H A 54 ASP HBy 1.0 1.693 3.171 46 46 A 59 ALA HB% A 55 ASN H 1.0 0.000 6.000 47 47 A 55 ASN H A 60 LEU HDy% 1.0 0.000 6.000 48 48 A 67 GLY H A 67 GLY HAy 1.0 1.874 4.118 49 49 A 67 GLY H A 66 ALA HA 1.0 1.747 3.407 50 50 A 67 GLY H A 67 GLY HAx 1.0 1.843 3.915 51 51 A 67 GLY H A 68 ASP H 1.0 1.883 4.187 52 52 A 67 GLY H A 66 ALA HB% 1.0 1.798 3.660 53 53 A 67 GLY H A 49 ILE HG2% 1.0 1.868 4.080 54 54 A 67 GLY H A 49 ILE HD1% 1.0 1.867 4.067 55 55 A 16 GLY H A 16 GLY HAx 1.0 1.841 3.905 56 56 A 17 ILE H A 17 ILE HA 1.0 1.770 3.514 57 57 A 16 GLY HAx A 17 ILE H 1.0 1.575 2.737 58 57 A 17 ILE H A 16 GLY HAy 1.0 1.575 2.737 59 58 A 17 ILE H A 18 PRO HDx 1.0 0.000 6.000 60 59 A 17 ILE H A 17 ILE HB 1.0 0.000 6.000 61 60 A 17 ILE H A 17 ILE HG1x 1.0 1.727 3.315 62 61 A 17 ILE H A 17 ILE HG1y 1.0 1.715 3.265 63 62 A 68 ASP H A 66 ALA HB% 1.0 0.000 6.000 64 63 A 17 ILE H A 17 ILE HG2% 1.0 1.747 3.405 65 64 A 17 ILE H A 17 ILE HD1% 1.0 1.783 3.583 66 65 A 21 GLY H A 20 PRO HA 1.0 1.656 3.024 67 66 A 21 GLY H A 21 GLY HAx 1.0 1.809 3.719 68 67 A 21 GLY H A 21 GLY HAy 1.0 1.808 3.712 69 68 A 21 GLY H A 20 PRO HBx 1.0 1.833 3.857 70 69 A 21 GLY H A 20 PRO HGy 1.0 0.000 6.000 71 70 A 21 GLY H A 20 PRO HBy 1.0 1.823 3.801 72 71 A 23 VAL H A 23 VAL HA 1.0 1.838 3.880 73 72 A 23 VAL HGy% A 23 VAL H 1.0 1.622 2.900 74 73 A 26 GLN H A 27 LYS H 1.0 1.889 4.225 75 74 A 26 GLN H A 25 LEU HA 1.0 1.636 2.948 76 75 A 26 GLN H A 26 GLN HA 1.0 1.789 3.613 77 76 A 26 GLN H A 26 GLN HBx 1.0 0.000 6.000 78 77 A 26 GLN H A 26 GLN HBy 1.0 1.655 3.023 79 78 A 26 GLN H A 25 LEU HBx 1.0 1.770 3.520 80 79 A 25 LEU HBy A 26 GLN H 1.0 1.777 3.551 81 80 A 26 GLN H A 97 VAL HGy% 1.0 1.882 4.180 82 81 A 26 GLN H A 25 LEU HDy% 1.0 0.000 6.000 83 82 A 27 LYS H A 26 GLN HA 1.0 1.692 3.166 84 83 A 27 LYS H A 27 LYS HA 1.0 1.837 3.877 85 84 A 27 LYS H A 26 GLN HGy 1.0 1.916 4.438 86 85 A 27 LYS HBx A 27 LYS H 1.0 1.750 3.420 87 86 A 27 LYS H A 27 LYS HDx 1.0 1.827 3.817 88 87 A 27 LYS H A 27 LYS HGy 1.0 1.843 3.919 89 88 A 27 LYS H A 96 GLU HA 1.0 1.900 4.306 90 89 A 27 LYS H A 26 GLN HBx 1.0 1.819 3.771 91 90 A 27 LYS HBy A 27 LYS H 1.0 1.822 3.794 92 91 A 33 ILE HG2% A 27 LYS H 1.0 0.000 6.000 93 92 A 31 ASN H A 28 ASP H 1.0 1.888 4.224 94 93 A 32 LEU H A 28 ASP H 1.0 1.789 3.611 95 94 A 28 ASP H A 28 ASP HA 1.0 1.795 3.647 96 95 A 31 ASN HA A 28 ASP H 1.0 1.896 4.284 97 96 A 27 LYS HA A 28 ASP H 1.0 1.671 3.085 98 97 A 28 ASP H A 28 ASP HBx 1.0 1.832 3.848 99 98 A 28 ASP H A 28 ASP HBy 1.0 1.773 3.531 100 99 A 28 ASP H A 57 PRO HGx 1.0 1.839 3.893 101 100 A 27 LYS HBx A 28 ASP H 1.0 1.804 3.692 102 101 A 27 LYS HBy A 28 ASP H 1.0 1.789 3.611 103 102 A 27 LYS HDx A 28 ASP H 1.0 1.834 3.860 104 103 A 28 ASP H A 32 LEU HDx% 1.0 0.000 6.000 105 104 A 57 PRO HGy A 28 ASP H 1.0 1.847 3.939 106 105 A 19 VAL H A 19 VAL HA 1.0 1.661 3.045 107 106 A 19 VAL H A 19 VAL HB 1.0 1.731 3.331 108 107 A 19 VAL H A 18 PRO HGx 1.0 1.893 4.255 109 107 A 19 VAL H A 18 PRO HGy 1.0 1.893 4.255 110 108 A 19 VAL H A 103 LYS HBy 1.0 1.911 4.407 111 109 A 19 VAL H A 18 PRO HBy 1.0 1.869 4.085 112 110 A 28 ASP HA A 29 ALA H 1.0 1.843 3.915 113 111 A 29 ALA HA A 29 ALA H 1.0 1.880 4.164 114 112 A 28 ASP HBy A 29 ALA H 1.0 1.894 4.264 115 113 A 29 ALA HB% A 29 ALA H 1.0 1.767 3.503 116 114 A 28 ASP HBx A 29 ALA H 1.0 1.889 4.229 117 115 A 30 GLN H A 30 GLN HA 1.0 1.701 3.205 118 116 A 30 GLN H A 29 ALA HA 1.0 0.000 6.000 119 117 A 30 GLN H A 30 GLN HBx 1.0 1.591 2.791 120 118 A 30 GLN H A 30 GLN HBy 1.0 1.652 3.012 121 119 A 30 GLN H A 32 LEU HDy% 1.0 1.801 3.673 122 120 A 32 LEU H A 31 ASN HA 1.0 1.775 3.545 123 121 A 32 LEU H A 27 LYS HA 1.0 1.872 4.104 124 122 A 32 LEU H A 31 ASN HBx 1.0 1.912 4.406 125 123 A 32 LEU H A 30 GLN HBx 1.0 1.864 4.052 126 124 A 32 LEU H A 32 LEU HBy 1.0 1.733 3.341 127 125 A 32 LEU H A 32 LEU HG 1.0 1.752 3.430 128 126 A 32 LEU H A 32 LEU HBx 1.0 0.000 6.000 129 127 A 32 LEU H A 32 LEU HDy% 1.0 1.684 3.136 130 128 A 32 LEU H A 28 ASP H 1.0 1.866 4.064 131 129 A 31 ASN H A 32 LEU H 1.0 1.751 3.429 132 130 A 33 ILE H A 34 GLY H 1.0 1.850 3.960 133 131 A 33 ILE HB A 33 ILE H 1.0 1.876 4.132 134 132 A 33 ILE HG2% A 33 ILE H 1.0 1.779 3.565 135 133 A 32 LEU HBx A 33 ILE H 1.0 1.880 4.156 136 134 A 33 ILE H A 33 ILE HG1x 1.0 1.716 3.268 137 135 A 34 GLY H A 35 ILE H 1.0 1.833 3.855 138 136 A 32 LEU HBy A 34 GLY H 1.0 1.892 4.248 139 137 A 34 GLY H A 33 ILE HG1x 1.0 1.870 4.090 140 138 A 32 LEU HBx A 34 GLY H 1.0 1.802 3.684 141 139 A 32 LEU HDy% A 34 GLY H 1.0 1.750 3.422 142 140 A 33 ILE H A 34 GLY H 1.0 1.829 3.833 143 141 A 35 ILE HA A 35 ILE H 1.0 1.893 4.259 144 142 A 34 GLY HAy A 35 ILE H 1.0 1.872 4.102 145 143 A 35 ILE HB A 35 ILE H 1.0 1.866 4.066 146 144 A 35 ILE H A 33 ILE HG1y 1.0 0.000 6.000 147 145 A 35 ILE H A 35 ILE HG1x 1.0 1.789 3.615 148 146 A 35 ILE H A 35 ILE HG2% 1.0 1.655 3.021 149 147 A 34 GLY H A 35 ILE H 1.0 1.770 3.518 150 148 A 35 ILE H A 128 VAL H 1.0 1.904 4.346 151 149 A 36 SER H A 35 ILE HG1x 1.0 1.898 4.298 152 150 A 37 ILE H A 49 ILE HG1x 1.0 0.000 6.000 153 151 A 38 GLY H A 38 GLY HAy 1.0 1.882 4.176 154 152 A 49 ILE HG1x A 38 GLY H 1.0 0.000 6.000 155 153 A 41 ALA H A 41 ALA HA 1.0 1.824 3.806 156 154 A 41 ALA H A 45 PRO HA 1.0 0.000 6.000 157 155 A 40 GLY HAy A 41 ALA H 1.0 1.803 3.689 158 156 A 40 GLY HAx A 41 ALA H 1.0 1.829 3.835 159 157 A 41 ALA H A 45 PRO HBy 1.0 1.930 4.576 160 158 A 41 ALA H A 45 PRO HGx 1.0 1.912 4.410 161 159 A 41 ALA H A 41 ALA HB% 1.0 1.761 3.473 162 160 A 45 PRO HA A 44 CYS H 1.0 1.963 4.939 163 161 A 44 CYS H A 43 TYR HA 1.0 1.904 4.348 164 162 A 47 LEU H A 47 LEU HA 1.0 1.929 4.567 165 163 A 47 LEU H A 47 LEU HG 1.0 1.764 3.490 166 164 A 48 TYR H A 48 TYR HD% 1.0 1.955 4.839 167 165 A 48 TYR H A 48 TYR HE% 1.0 1.903 4.331 168 166 A 47 LEU HA A 48 TYR H 1.0 1.778 3.560 169 167 A 48 TYR H A 48 TYR HA 1.0 1.894 4.268 170 168 A 48 TYR H A 48 TYR HBy 1.0 1.893 4.257 171 169 A 47 LEU HG A 48 TYR H 1.0 1.818 3.766 172 170 A 48 TYR H A 47 LEU HDy% 1.0 0.000 6.000 173 171 A 68 ASP H A 49 ILE H 1.0 1.948 4.764 174 172 A 48 TYR HA A 49 ILE H 1.0 1.850 3.960 175 173 A 49 ILE H A 49 ILE HA 1.0 1.944 4.722 176 174 A 49 ILE H A 49 ILE HG1y 1.0 0.000 6.000 177 175 A 49 ILE HG1x A 49 ILE H 1.0 0.000 6.000 178 176 A 49 ILE HG2% A 49 ILE H 1.0 1.841 3.903 179 177 A 49 ILE H A 70 ILE H 1.0 1.952 4.814 180 178 A 49 ILE H A 48 TYR HBx 1.0 1.889 4.231 181 179 A 49 ILE H A 49 ILE HB 1.0 1.837 3.879 182 180 A 49 ILE HD1% A 49 ILE H 1.0 0.000 6.000 183 181 A 35 ILE HA A 51 GLN H 1.0 1.931 4.589 184 182 A 51 GLN H A 49 ILE HA 1.0 1.857 4.005 185 183 A 51 GLN H A 51 GLN HA 1.0 1.773 3.531 186 184 A 51 GLN H A 50 VAL HB 1.0 1.942 4.702 187 185 A 51 GLN H A 51 GLN HGx 1.0 1.808 3.716 188 186 A 51 GLN H A 51 GLN HBx 1.0 1.801 3.677 189 187 A 51 GLN H A 49 ILE HG1x 1.0 1.888 4.220 190 188 A 51 GLN H A 49 ILE HG2% 1.0 1.857 4.005 191 189 A 51 GLN H A 51 GLN HBy 1.0 1.870 4.092 192 190 A 51 GLN H A 49 ILE HD1% 1.0 1.746 3.404 193 191 A 36 SER H A 51 GLN H 1.0 1.716 3.266 194 192 A 51 GLN H A 52 VAL H 1.0 1.884 4.196 195 193 A 51 GLN HGx A 52 VAL H 1.0 1.860 4.020 196 194 A 51 GLN H A 52 VAL H 1.0 1.921 4.481 197 195 A 52 VAL H A 52 VAL HA 1.0 1.873 4.113 198 196 A 51 GLN HA A 52 VAL H 1.0 1.639 2.961 199 197 A 52 VAL H A 52 VAL HB 1.0 1.750 3.418 200 198 A 52 VAL H A 51 GLN HGy 1.0 1.810 3.722 201 199 A 51 GLN HBy A 52 VAL H 1.0 1.865 4.053 202 200 A 51 GLN HGx A 52 VAL H 1.0 1.856 3.996 203 201 A 66 ALA HB% A 52 VAL H 1.0 1.766 3.496 204 202 A 52 VAL H A 52 VAL HGy% 1.0 1.726 3.316 205 203 A 54 ASP H A 53 PHE HA 1.0 0.000 6.000 206 204 A 54 ASP H A 54 ASP HA 1.0 1.708 3.238 207 205 A 54 ASP HBy A 54 ASP H 1.0 1.633 2.941 208 206 A 54 ASP H A 56 THR HG2% 1.0 1.868 4.080 209 207 A 54 ASP H A 52 VAL HGx% 1.0 1.970 5.040 210 208 A 54 ASP H A 53 PHE HBx 1.0 1.802 3.682 211 209 A 54 ASP H A 53 PHE HBy 1.0 1.869 4.085 212 210 A 59 ALA HB% A 54 ASP H 1.0 1.890 4.232 213 211 A 55 ASN H A 54 ASP H 1.0 1.903 4.337 214 212 A 55 ASN H A 60 LEU H 1.0 0.000 6.000 215 213 A 55 ASN H A 60 LEU H 1.0 1.968 5.026 216 214 A 55 ASN H A 55 ASN HD2x 1.0 1.946 4.740 217 215 A 55 ASN H A 60 LEU HBy 1.0 1.941 4.681 218 216 A 55 ASN H A 56 THR HG2% 1.0 1.920 4.476 219 217 A 56 THR H A 56 THR HG1 1.0 1.801 3.679 220 218 A 56 THR H A 55 ASN HA 1.0 0.000 6.000 221 219 A 34 GLY HAy A 56 THR H 1.0 0.000 6.000 222 220 A 56 THR H A 55 ASN HBy 1.0 0.000 6.000 223 221 A 56 THR H A 53 PHE HBy 1.0 1.926 4.538 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 56 THR H A 54 ASP HBx 1.0 0.000 6.000 2 1 A 56 THR H A 54 ASP HBy 1.0 0.000 6.000 3 2 A 59 ALA HB% A 56 THR H 1.0 1.520 2.562 4 3 A 56 THR H A 56 THR HG2% 1.0 1.641 2.967 5 4 A 56 THR H A 60 LEU HDy% 1.0 1.837 3.881 6 5 A 56 THR H A 60 LEU HDx% 1.0 0.000 6.000 7 6 A 56 THR H A 52 VAL HGx% 1.0 0.000 6.000 8 7 A 55 ASN H A 56 THR H 1.0 1.739 3.367 9 8 A 56 THR H A 56 THR HB 1.0 0.000 6.000 10 9 A 56 THR H A 55 ASN HBx 1.0 1.889 4.227 11 10 A 56 THR H A 60 LEU HBy 1.0 1.841 3.903 12 11 A 58 ALA HB% A 56 THR H 1.0 0.000 6.000 13 12 A 56 THR H A 60 LEU H 1.0 1.900 4.312 14 13 A 59 ALA H A 56 THR H 1.0 1.823 3.797 15 14 A 59 ALA H A 56 THR H 1.0 1.798 3.662 16 15 A 59 ALA H A 57 PRO HA 1.0 0.000 6.000 17 16 A 59 ALA H A 59 ALA HA 1.0 1.672 3.088 18 17 A 34 GLY HAy A 59 ALA H 1.0 1.929 4.567 19 18 A 59 ALA HB% A 59 ALA H 1.0 1.562 2.694 20 19 A 59 ALA H A 60 LEU HBy 1.0 0.000 6.000 21 20 A 58 ALA HB% A 59 ALA H 1.0 1.702 3.208 22 21 A 59 ALA H A 52 VAL HGx% 1.0 1.711 3.249 23 22 A 58 ALA H A 59 ALA H 1.0 1.822 3.794 24 23 A 59 ALA H A 60 LEU H 1.0 1.733 3.343 25 24 A 59 ALA H A 60 LEU H 1.0 1.689 3.157 26 25 A 56 THR H A 60 LEU H 1.0 1.877 4.139 27 26 A 54 ASP HA A 60 LEU H 1.0 1.879 4.149 28 27 A 60 LEU HA A 60 LEU H 1.0 1.675 3.101 29 28 A 60 LEU H A 61 ASP HBx 1.0 0.000 6.000 30 29 A 60 LEU H A 60 LEU HBy 1.0 1.685 3.139 31 30 A 58 ALA HB% A 60 LEU H 1.0 1.913 4.413 32 31 A 60 LEU HDy% A 60 LEU H 1.0 1.792 3.624 33 32 A 60 LEU H A 60 LEU HDx% 1.0 0.000 6.000 34 33 A 52 VAL HGx% A 60 LEU H 1.0 0.000 6.000 35 34 A 61 ASP H A 62 GLY H 1.0 1.722 3.296 36 35 A 61 ASP H A 61 ASP HA 1.0 1.698 3.194 37 36 A 57 PRO HA A 61 ASP H 1.0 1.899 4.303 38 37 A 60 LEU HA A 61 ASP H 1.0 0.000 6.000 39 38 A 61 ASP HBx A 61 ASP H 1.0 1.679 3.117 40 39 A 61 ASP H A 61 ASP HBy 1.0 1.659 3.041 41 40 A 61 ASP H A 60 LEU HG 1.0 0.000 6.000 42 41 A 60 LEU HBy A 61 ASP H 1.0 1.764 3.486 43 42 A 60 LEU HDx% A 61 ASP H 1.0 1.700 3.204 44 43 A 60 LEU H A 61 ASP H 1.0 1.756 3.452 45 44 A 62 GLY H A 63 THR H 1.0 1.867 4.065 46 45 A 63 THR HA A 63 THR H 1.0 1.649 2.999 47 46 A 63 THR HG2% A 63 THR H 1.0 1.751 3.429 48 47 A 64 VAL HGx% A 63 THR H 1.0 1.878 4.150 49 48 A 65 ALA H A 65 ALA HA 1.0 1.833 3.855 50 49 A 65 ALA H A 64 VAL HA 1.0 1.712 3.252 51 50 A 64 VAL HB A 65 ALA H 1.0 0.000 6.000 52 51 A 65 ALA H A 65 ALA HB% 1.0 1.735 3.355 53 52 A 64 VAL HGy% A 65 ALA H 1.0 1.815 3.751 54 53 A 66 ALA HA A 66 ALA H 1.0 1.816 3.758 55 54 A 65 ALA HB% A 66 ALA H 1.0 1.624 2.910 56 55 A 66 ALA HB% A 66 ALA H 1.0 1.589 2.783 57 56 A 52 VAL HGy% A 66 ALA H 1.0 1.705 3.223 58 57 A 68 ASP H A 68 ASP HA 1.0 1.843 3.913 59 58 A 66 ALA HA A 68 ASP H 1.0 1.820 3.778 60 59 A 67 GLY HAx A 68 ASP H 1.0 1.891 4.235 61 60 A 68 ASP H A 68 ASP HBy 1.0 1.762 3.480 62 61 A 68 ASP H A 68 ASP HBx 1.0 1.802 3.678 63 62 A 68 ASP H A 49 ILE HG1y 1.0 0.000 6.000 64 63 A 68 ASP H A 49 ILE HG2% 1.0 1.770 3.520 65 64 A 68 ASP H A 49 ILE HD1% 1.0 1.804 3.694 66 65 A 68 ASP H A 49 ILE HB 1.0 0.000 6.000 67 66 A 68 ASP H A 65 ALA HB% 1.0 0.000 6.000 68 67 A 68 ASP H A 49 ILE HG1x 1.0 0.000 6.000 69 68 A 67 GLY H A 68 ASP H 1.0 1.802 3.680 70 69 A 68 ASP H A 66 ALA H 1.0 0.000 6.000 71 70 A 68 ASP HBx A 69 GLU H 1.0 1.824 3.802 72 71 A 71 THR H A 72 GLY H 1.0 1.797 3.653 73 72 A 71 THR H A 101 TYR HA 1.0 1.867 4.067 74 73 A 71 THR H A 71 THR HA 1.0 1.768 3.504 75 74 A 71 THR H A 71 THR HG2% 1.0 1.719 3.285 76 75 A 71 THR H A 70 ILE HG2% 1.0 1.808 3.714 77 76 A 72 GLY H A 72 GLY HAx 1.0 1.844 3.922 78 77 A 72 GLY H A 71 THR HA 1.0 1.775 3.545 79 78 A 72 GLY H A 72 GLY HAy 1.0 1.847 3.939 80 79 A 72 GLY H A 100 HIS HBy 1.0 1.822 3.790 81 80 A 72 GLY H A 100 HIS HBx 1.0 1.813 3.743 82 81 A 72 GLY H A 71 THR HG2% 1.0 1.669 3.079 83 82 A 72 GLY H A 78 ILE HD1% 1.0 0.000 6.000 84 83 A 71 THR H A 72 GLY H 1.0 1.754 3.438 85 84 A 72 GLY H A 100 HIS H 1.0 1.874 4.122 86 85 A 73 VAL H A 76 ARG H 1.0 1.833 3.853 87 86 A 73 VAL H A 78 ILE H 1.0 1.900 4.312 88 87 A 72 GLY HAx A 73 VAL H 1.0 1.731 3.339 89 88 A 73 VAL H A 77 SER HA 1.0 1.816 3.756 90 89 A 72 GLY HAy A 73 VAL H 1.0 1.766 3.496 91 90 A 73 VAL H A 73 VAL HB 1.0 1.797 3.651 92 91 A 73 VAL H A 73 VAL HGy% 1.0 1.647 2.991 93 92 A 75 GLY H A 75 GLY HAx 1.0 1.906 4.356 94 93 A 76 ARG H A 76 ARG HA 1.0 1.762 3.478 95 94 A 76 ARG H A 75 GLY HAx 1.0 1.810 3.726 96 95 A 76 ARG H A 75 GLY HAy 1.0 1.908 4.376 97 96 A 76 ARG H A 76 ARG HBy 1.0 1.655 3.021 98 97 A 76 ARG H A 76 ARG HGx 1.0 1.720 3.288 99 98 A 76 ARG H A 73 VAL HGy% 1.0 1.815 3.753 100 99 A 73 VAL H A 76 ARG H 1.0 1.842 3.910 101 100 A 78 ILE H A 78 ILE HA 1.0 1.694 3.176 102 101 A 78 ILE H A 77 SER HBx 1.0 1.850 3.958 103 102 A 72 GLY HAy A 78 ILE H 1.0 1.882 4.176 104 103 A 78 ILE H A 79 LYS HBy 1.0 1.895 4.275 105 104 A 78 ILE H A 78 ILE HG1x 1.0 0.000 6.000 106 105 A 78 ILE HD1% A 78 ILE H 1.0 1.645 2.985 107 106 A 78 ILE H A 79 LYS H 1.0 1.826 3.814 108 107 A 78 ILE H A 79 LYS H 1.0 1.836 3.872 109 108 A 78 ILE HA A 79 LYS H 1.0 1.862 4.036 110 109 A 79 LYS H A 79 LYS HA 1.0 1.832 3.852 111 110 A 79 LYS H A 79 LYS HBx 1.0 1.757 3.455 112 111 A 79 LYS HBy A 79 LYS H 1.0 1.730 3.328 113 112 A 79 LYS H A 79 LYS HGy 1.0 0.000 6.000 114 113 A 79 LYS H A 78 ILE HG2% 1.0 1.832 3.846 115 114 A 80 GLY H A 80 GLY HAx 1.0 1.894 4.262 116 115 A 81 LYS H A 82 THR HA 1.0 0.000 6.000 117 116 A 80 GLY HAx A 81 LYS H 1.0 1.857 4.009 118 117 A 81 LYS H A 81 LYS HA 1.0 1.845 3.929 119 118 A 81 LYS H A 80 GLY HAy 1.0 1.857 4.003 120 119 A 81 LYS H A 78 ILE HB 1.0 1.930 4.576 121 120 A 81 LYS H A 81 LYS HBx 1.0 1.737 3.361 122 121 A 81 LYS H A 81 LYS HBy 1.0 0.000 6.000 123 122 A 81 LYS H A 81 LYS HDy 1.0 1.833 3.857 124 123 A 81 LYS H A 81 LYS HDx 1.0 1.708 3.236 125 124 A 81 LYS H A 86 VAL HGy% 1.0 0.000 6.000 126 125 A 81 LYS H A 86 VAL HGx% 1.0 0.000 6.000 127 126 A 82 THR HA A 82 THR H 1.0 1.672 3.088 128 127 A 82 THR H A 85 GLU HBy 1.0 1.827 3.817 129 128 A 81 LYS HBx A 82 THR H 1.0 1.768 3.508 130 129 A 81 LYS HBy A 82 THR H 1.0 1.823 3.795 131 130 A 81 LYS HDy A 82 THR H 1.0 0.000 6.000 132 131 A 81 LYS HDx A 82 THR H 1.0 1.862 4.042 133 132 A 86 VAL HGy% A 82 THR H 1.0 1.907 4.367 134 133 A 82 THR H A 85 GLU H 1.0 1.913 4.423 135 134 A 82 THR HA A 83 LYS H 1.0 1.839 3.893 136 135 A 83 LYS H A 83 LYS HBx 1.0 1.909 4.389 137 136 A 83 LYS H A 83 LYS HDy 1.0 1.901 4.319 138 137 A 83 LYS H A 83 LYS HGy 1.0 1.880 4.158 139 138 A 86 VAL HGx% A 83 LYS H 1.0 1.872 4.108 140 139 A 83 LYS HGy A 84 VAL H 1.0 1.836 3.876 141 140 A 84 VAL H A 85 GLU HA 1.0 0.000 6.000 142 141 A 84 VAL H A 83 LYS HA 1.0 1.882 4.178 143 142 A 84 VAL H A 84 VAL HA 1.0 1.800 3.666 144 143 A 84 VAL H A 84 VAL HB 1.0 1.676 3.106 145 144 A 84 VAL H A 83 LYS HBy 1.0 1.829 3.831 146 145 A 84 VAL H A 83 LYS HGx 1.0 1.858 4.010 147 146 A 84 VAL H A 84 VAL HGy% 1.0 1.699 3.197 148 147 A 84 VAL H A 84 VAL HGx% 1.0 0.000 6.000 149 148 A 83 LYS H A 84 VAL H 1.0 1.933 4.607 150 149 A 85 GLU H A 85 GLU HA 1.0 1.792 3.632 151 150 A 85 GLU H A 84 VAL HA 1.0 1.870 4.090 152 151 A 85 GLU H A 85 GLU HGx 1.0 1.707 3.231 153 152 A 85 GLU H A 85 GLU HGy 1.0 1.798 3.660 154 153 A 85 GLU H A 85 GLU HBx 1.0 1.710 3.246 155 154 A 85 GLU H A 83 LYS HBy 1.0 0.000 6.000 156 155 A 85 GLU H A 83 LYS HGx 1.0 0.000 6.000 157 156 A 85 GLU H A 84 VAL HGy% 1.0 1.853 3.981 158 157 A 85 GLU H A 84 VAL HGx% 1.0 1.754 3.440 159 158 A 85 GLU H A 86 VAL H 1.0 1.824 3.802 160 159 A 109 LYS H A 110 GLN H 1.0 1.713 3.259 161 160 A 109 LYS H A 109 LYS HBy 1.0 1.600 2.824 162 161 A 109 LYS H A 111 LEU HBy 1.0 0.000 6.000 163 162 A 101 TYR HA A 102 ASN H 1.0 1.825 3.809 164 163 A 102 ASN H A 102 ASN HA 1.0 1.896 4.280 165 164 A 102 ASN H A 103 LYS HEy 1.0 0.000 6.000 166 165 A 102 ASN H A 102 ASN HBx 1.0 1.872 4.106 167 166 A 102 ASN H A 102 ASN HBy 1.0 1.790 3.618 168 167 A 71 THR HG2% A 102 ASN H 1.0 1.853 3.979 169 168 A 24 THR H A 24 THR HB 1.0 1.756 3.452 170 169 A 24 THR H A 23 VAL HB 1.0 1.900 4.318 171 170 A 24 THR H A 24 THR HG2% 1.0 1.705 3.221 172 171 A 25 LEU HDy% A 24 THR H 1.0 1.867 4.071 173 172 A 96 GLU HA A 96 GLU H 1.0 1.768 3.508 174 173 A 96 GLU H A 95 GLY HAy 1.0 0.000 6.000 175 174 A 96 GLU H A 95 GLY HAx 1.0 1.691 3.167 176 175 A 96 GLU H A 96 GLU HGx 1.0 1.649 2.999 177 176 A 96 GLU H A 96 GLU HBy 1.0 1.697 3.191 178 177 A 96 GLU H A 96 GLU HBx 1.0 0.000 6.000 179 178 A 96 GLU H A 27 LYS HDy 1.0 1.850 3.954 180 179 A 27 LYS HDx A 96 GLU H 1.0 0.000 6.000 181 180 A 96 GLU H A 93 VAL HGy% 1.0 1.728 3.320 182 181 A 96 GLU H A 97 VAL H 1.0 1.900 4.316 183 182 A 93 VAL H A 92 GLU HA 1.0 1.832 3.850 184 183 A 93 VAL H A 93 VAL HA 1.0 1.752 3.432 185 184 A 93 VAL H A 92 GLU HGy 1.0 1.874 4.124 186 185 A 93 VAL H A 92 GLU HBy 1.0 1.796 3.648 187 186 A 93 VAL H A 93 VAL HB 1.0 0.000 6.000 188 187 A 93 VAL H A 93 VAL HGx% 1.0 1.633 2.941 189 188 A 93 VAL HGy% A 93 VAL H 1.0 1.700 3.202 190 189 A 93 VAL H A 92 GLU H 1.0 1.778 3.556 191 190 A 88 LYS H A 85 GLU HA 1.0 1.736 3.358 192 191 A 88 LYS H A 88 LYS HA 1.0 1.759 3.463 193 192 A 88 LYS H A 86 VAL HA 1.0 1.895 4.271 194 193 A 88 LYS H A 88 LYS HBy 1.0 1.574 2.734 195 194 A 88 LYS H A 88 LYS HDy 1.0 0.000 6.000 196 195 A 88 LYS H A 128 VAL HGy% 1.0 0.000 6.000 197 196 A 88 LYS H A 87 ALA H 1.0 1.816 3.756 198 197 A 117 GLY H A 116 GLN HBy 1.0 1.899 4.307 199 198 A 117 GLY H A 116 GLN HA 1.0 1.868 4.078 200 199 A 117 GLY H A 117 GLY HAx 1.0 1.869 4.087 201 200 A 117 GLY H A 116 GLN HBx 1.0 1.888 4.220 202 201 A 90 ILE H A 87 ALA HA 1.0 1.795 3.641 203 202 A 90 ILE H A 90 ILE HA 1.0 1.779 3.559 204 203 A 90 ILE H A 89 MET HBy 1.0 1.787 3.601 205 204 A 90 ILE H A 90 ILE HB 1.0 1.669 3.077 206 205 A 90 ILE H A 90 ILE HB 1.0 1.679 3.115 207 206 A 90 ILE H A 87 ALA HB% 1.0 0.000 6.000 208 207 A 90 ILE H A 90 ILE HG2% 1.0 0.000 6.000 209 208 A 90 ILE H A 90 ILE HG1y 1.0 1.619 2.887 210 209 A 90 ILE H A 89 MET HGy 1.0 0.000 6.000 211 210 A 90 ILE H A 91 GLN H 1.0 1.818 3.768 212 211 A 85 GLU H A 86 VAL H 1.0 1.773 3.531 213 212 A 83 LYS HA A 86 VAL H 1.0 1.871 4.097 214 213 A 86 VAL H A 87 ALA HB% 1.0 0.000 6.000 215 214 A 88 LYS H A 86 VAL H 1.0 1.909 4.385 216 215 A 86 VAL H A 86 VAL HA 1.0 1.813 3.741 217 216 A 85 GLU HBy A 86 VAL H 1.0 1.824 3.804 218 217 A 85 GLU HGy A 86 VAL H 1.0 1.903 4.339 219 218 A 86 VAL H A 86 VAL HB 1.0 0.000 6.000 220 219 A 85 GLU HBx A 86 VAL H 1.0 1.865 4.051 221 220 A 86 VAL H A 81 LYS HGy 1.0 1.892 4.248 222 221 A 86 VAL HGy% A 86 VAL H 1.0 1.673 3.093 223 222 A 86 VAL HGx% A 86 VAL H 1.0 1.678 3.112 224 223 A 128 VAL H A 127 LYS H 1.0 1.913 4.421 225 224 A 128 VAL H A 36 SER HG 1.0 1.840 3.900 226 225 A 33 ILE HB A 128 VAL H 1.0 0.000 6.000 227 226 A 128 VAL H A 87 ALA HB% 1.0 0.000 6.000 228 227 A 35 ILE HG1x A 128 VAL H 1.0 1.841 3.903 229 228 A 128 VAL H A 128 VAL HGy% 1.0 1.836 3.876 230 229 A 128 VAL H A 128 VAL HGx% 1.0 0.000 6.000 231 230 A 35 ILE HD1% A 128 VAL H 1.0 1.885 4.195 232 231 A 88 LYS H A 87 ALA H 1.0 1.813 3.745 233 232 A 87 ALA H A 87 ALA HA 1.0 1.793 3.637 234 233 A 84 VAL HA A 87 ALA H 1.0 1.865 4.053 235 234 A 87 ALA H A 86 VAL HB 1.0 1.760 3.468 236 235 A 87 ALA H A 87 ALA HB% 1.0 1.645 2.987 237 236 A 128 VAL HGy% A 87 ALA H 1.0 0.000 6.000 238 237 A 112 GLU H A 113 VAL H 1.0 1.786 3.598 239 238 A 91 GLN H A 89 MET H 1.0 1.913 4.415 240 239 A 91 GLN H A 91 GLN HGx 1.0 1.809 3.715 241 240 A 91 GLN H A 91 GLN HBx 1.0 1.762 3.476 242 241 A 90 ILE HB A 91 GLN H 1.0 1.774 3.536 243 242 A 90 ILE H A 91 GLN H 1.0 1.766 3.498 244 243 A 91 GLN H A 91 GLN HA 1.0 1.787 3.603 245 244 A 91 GLN H A 91 GLN HGy 1.0 1.819 3.773 246 245 A 91 GLN H A 91 GLN HBy 1.0 1.758 3.460 247 246 A 91 GLN H A 128 VAL HGx% 1.0 1.770 3.516 248 247 A 110 GLN H A 111 LEU HBy 1.0 1.895 4.275 249 248 A 110 GLN H A 110 GLN HA 1.0 1.714 3.260 250 249 A 110 GLN H A 110 GLN HGx 1.0 1.845 3.931 251 250 A 110 GLN H A 110 GLN HGy 1.0 1.825 3.807 252 251 A 110 GLN H A 110 GLN HBy 1.0 1.752 3.430 253 252 A 110 GLN H A 110 GLN HBx 1.0 0.000 6.000 254 253 A 110 GLN H A 109 LYS HBy 1.0 0.000 6.000 255 254 A 110 GLN H A 111 LEU HBx 1.0 0.000 6.000 256 255 A 110 GLN H A 106 ALA HB% 1.0 1.910 4.394 257 256 A 109 LYS H A 110 GLN H 1.0 1.819 3.773 258 257 A 93 VAL H A 92 GLU H 1.0 1.747 3.407 259 258 A 92 GLU HA A 92 GLU H 1.0 1.631 2.931 260 259 A 92 GLU HGy A 92 GLU H 1.0 0.000 6.000 261 260 A 92 GLU HBy A 92 GLU H 1.0 1.552 2.662 262 261 A 88 LYS HGy A 92 GLU H 1.0 1.901 4.321 263 262 A 93 VAL HGx% A 92 GLU H 1.0 1.859 4.019 264 263 A 93 VAL HGy% A 92 GLU H 1.0 1.867 4.071 265 264 A 92 GLU H A 90 ILE HG1y 1.0 0.000 6.000 266 265 A 92 GLU H A 91 GLN H 1.0 1.789 3.613 267 266 A 104 LEU H A 104 LEU HA 1.0 1.898 4.296 268 267 A 104 LEU H A 104 LEU HBy 1.0 0.000 6.000 269 268 A 113 VAL H A 112 GLU HA 1.0 1.824 3.804 270 269 A 113 VAL H A 113 VAL HA 1.0 1.800 3.672 271 270 A 113 VAL H A 113 VAL HB 1.0 1.611 2.859 272 271 A 113 VAL H A 113 VAL HGy% 1.0 0.000 6.000 273 272 A 113 VAL H A 113 VAL HGy% 1.0 0.000 6.000 274 273 A 112 GLU H A 113 VAL H 1.0 1.705 3.223 275 274 A 93 VAL HA A 94 LYS H 1.0 1.844 3.926 276 275 A 52 VAL HB A 53 PHE H 1.0 1.837 3.879 277 276 A 107 ASP H A 107 ASP HA 1.0 1.635 2.949 278 277 A 107 ASP H A 111 LEU HA 1.0 1.875 4.127 279 278 A 107 ASP H A 107 ASP HBy 1.0 1.695 3.183 280 279 A 110 GLN HBx A 107 ASP H 1.0 1.841 3.903 281 280 A 106 ALA HB% A 107 ASP H 1.0 1.715 3.265 282 281 A 110 GLN H A 107 ASP H 1.0 1.891 4.241 283 282 A 70 ILE H A 70 ILE HB 1.0 1.753 3.435 284 283 A 70 ILE H A 70 ILE HG1x 1.0 1.798 3.656 285 284 A 70 ILE H A 70 ILE HD1% 1.0 1.852 3.970 286 285 A 96 GLU H A 97 VAL H 1.0 1.895 4.273 287 286 A 97 VAL H A 97 VAL HA 1.0 1.661 3.045 288 287 A 26 GLN HA A 97 VAL H 1.0 1.813 3.741 289 288 A 97 VAL H A 96 GLU HGy 1.0 1.843 3.911 290 289 A 97 VAL H A 97 VAL HB 1.0 0.000 6.000 291 290 A 96 GLU HBx A 97 VAL H 1.0 1.779 3.561 292 291 A 97 VAL H A 97 VAL HGx% 1.0 1.660 3.042 293 292 A 33 ILE HG2% A 97 VAL H 1.0 0.000 6.000 294 293 A 101 TYR H A 100 HIS HA 1.0 1.712 3.252 295 294 A 100 HIS HBy A 101 TYR H 1.0 1.819 3.777 296 295 A 101 TYR H A 99 ILE HG2% 1.0 0.000 6.000 297 296 A 115 PHE H A 115 PHE HA 1.0 1.887 4.209 298 297 A 115 PHE H A 114 LEU HA 1.0 1.828 3.830 299 298 A 115 PHE H A 115 PHE HBy 1.0 1.830 3.834 300 299 A 115 PHE H A 115 PHE HBx 1.0 1.772 3.528 301 300 A 113 VAL HB A 115 PHE H 1.0 0.000 6.000 302 301 A 115 PHE H A 114 LEU HBx 1.0 1.821 3.785 303 302 A 115 PHE H A 114 LEU HBy 1.0 1.857 4.003 304 303 A 115 PHE H A 111 LEU HDy% 1.0 1.883 4.185 305 304 A 102 ASN HA A 103 LYS H 1.0 1.747 3.407 306 305 A 102 ASN HBy A 103 LYS H 1.0 1.906 4.366 307 306 A 103 LYS HBy A 103 LYS H 1.0 1.833 3.857 308 307 A 103 LYS H A 103 LYS HDy 1.0 1.897 4.287 309 308 A 53 PHE H A 53 PHE HE% 1.0 0.000 6.000 310 309 A 53 PHE H A 53 PHE HD% 1.0 1.894 4.262 311 310 A 35 ILE HA A 53 PHE H 1.0 1.884 4.194 312 311 A 52 VAL HA A 53 PHE H 1.0 1.714 3.260 313 312 A 53 PHE HA A 53 PHE H 1.0 1.857 4.009 314 313 A 53 PHE HBx A 53 PHE H 1.0 1.815 3.747 315 314 A 53 PHE HBy A 53 PHE H 1.0 1.807 3.705 316 315 A 52 VAL HB A 53 PHE H 1.0 1.880 4.160 317 316 A 56 THR HG2% A 53 PHE H 1.0 1.822 3.794 318 317 A 58 ALA HB% A 53 PHE H 1.0 1.897 4.287 319 318 A 52 VAL HGx% A 53 PHE H 1.0 1.706 3.228 320 319 A 99 ILE H A 99 ILE HA 1.0 1.828 3.824 321 320 A 99 ILE HG2% A 99 ILE H 1.0 1.824 3.798 322 321 A 99 ILE H A 99 ILE HD1% 1.0 1.812 3.738 323 322 A 26 GLN HA A 95 GLY H 1.0 0.000 6.000 324 323 A 95 GLY HAy A 95 GLY H 1.0 1.775 3.541 325 324 A 95 GLY HAx A 95 GLY H 1.0 1.783 3.583 326 325 A 27 LYS HBx A 95 GLY H 1.0 1.829 3.831 327 326 A 113 VAL H A 114 LEU H 1.0 1.822 3.792 328 327 A 114 LEU HA A 114 LEU H 1.0 1.827 3.821 329 328 A 111 LEU HA A 114 LEU H 1.0 1.878 4.144 330 329 A 113 VAL HA A 114 LEU H 1.0 1.889 4.223 331 330 A 113 VAL HB A 114 LEU H 1.0 1.804 3.692 332 331 A 114 LEU HBx A 114 LEU H 1.0 1.753 3.437 333 332 A 114 LEU HBy A 114 LEU H 1.0 1.816 3.758 334 333 A 114 LEU H A 113 VAL HGx% 1.0 1.823 3.797 335 334 A 111 LEU HDy% A 114 LEU H 1.0 0.000 6.000 336 335 A 74 ASN HD2y A 74 ASN HBx 1.0 1.816 3.758 337 336 A 74 ASN HD2y A 74 ASN HBy 1.0 1.803 3.689 338 337 A 93 VAL HGx% A 74 ASN HD2y 1.0 1.895 4.275 339 338 A 93 VAL HGy% A 74 ASN HD2y 1.0 1.783 3.579 340 339 A 127 LYS H A 126 LEU HBx 1.0 1.835 3.867 341 340 A 98 THR H A 98 THR HB 1.0 1.810 3.722 342 341 A 98 THR H A 98 THR HG2% 1.0 0.000 6.000 343 342 A 99 ILE HD1% A 98 THR H 1.0 1.870 4.090 344 343 A 31 ASN HBy A 31 ASN HD2y 1.0 1.791 3.619 345 344 A 31 ASN HBx A 31 ASN HD2y 1.0 1.780 3.566 346 345 A 110 GLN HA A 111 LEU H 1.0 1.863 4.043 347 346 A 111 LEU HA A 111 LEU H 1.0 1.848 3.946 348 347 A 110 GLN HBy A 111 LEU H 1.0 1.882 4.176 349 348 A 110 GLN HBx A 111 LEU H 1.0 1.858 4.008 350 349 A 111 LEU HBy A 111 LEU H 1.0 1.793 3.633 351 350 A 111 LEU HBx A 111 LEU H 1.0 1.745 3.397 352 351 A 106 ALA HB% A 111 LEU H 1.0 1.892 4.248 353 352 A 111 LEU HDy% A 111 LEU H 1.0 0.000 6.000 354 353 A 106 ALA H A 106 ALA HA 1.0 1.696 3.184 355 354 A 106 ALA H A 105 GLN HBy 1.0 1.921 4.493 356 355 A 106 ALA HB% A 106 ALA H 1.0 1.753 3.437 357 356 A 89 MET H A 89 MET HA 1.0 1.684 3.134 358 357 A 89 MET H A 89 MET HGx 1.0 1.747 3.407 359 358 A 89 MET HGy A 89 MET H 1.0 1.793 3.633 360 359 A 89 MET HBy A 89 MET H 1.0 1.699 3.195 361 360 A 89 MET H A 88 LYS HBx 1.0 1.649 2.999 362 361 A 25 LEU HA A 25 LEU H 1.0 1.887 4.207 363 362 A 25 LEU H A 24 THR HA 1.0 1.757 3.457 364 363 A 25 LEU HBx A 25 LEU H 1.0 1.805 3.695 365 364 A 25 LEU HBy A 25 LEU H 1.0 1.889 4.227 366 365 A 97 VAL HGy% A 25 LEU H 1.0 1.733 3.343 367 366 A 25 LEU H A 25 LEU HDx% 1.0 1.772 3.530 368 367 A 37 ILE H A 38 GLY HAy 1.0 0.000 6.000 369 368 A 37 ILE H A 126 LEU HG 1.0 1.851 3.961 370 369 A 65 ALA HA A 66 ALA H 1.0 1.635 2.945 371 370 A 23 VAL H A 99 ILE HD1% 1.0 0.000 6.000 372 371 A 34 GLY HAy A 34 GLY H 1.0 1.870 4.086 373 372 A 16 GLY H A 16 GLY HAy 1.0 1.864 4.048 374 373 A 24 THR H A 24 THR HA 1.0 1.967 5.005 375 374 A 26 GLN H A 26 GLN HGy 1.0 0.000 6.000 376 375 A 27 LYS H A 27 LYS HDy 1.0 1.840 3.900 377 376 A 32 LEU H A 32 LEU HA 1.0 1.836 3.876 378 377 A 32 LEU H A 32 LEU HDx% 1.0 0.000 6.000 379 378 A 33 ILE H A 33 ILE HA 1.0 1.949 4.773 380 379 A 47 LEU H A 47 LEU HDy% 1.0 0.000 6.000 381 380 A 52 VAL H A 52 VAL HGx% 1.0 0.000 6.000 382 381 A 35 ILE H A 34 GLY HAx 1.0 1.893 4.259 383 382 A 32 LEU HDy% A 35 ILE H 1.0 0.000 6.000 384 383 A 34 GLY H A 34 GLY HAx 1.0 1.953 4.819 385 384 A 36 SER H A 36 SER HA 1.0 1.935 4.619 386 385 A 38 GLY H A 38 GLY HAx 1.0 1.920 4.474 387 386 A 70 ILE H A 70 ILE HA 1.0 1.921 4.487 388 387 A 77 SER HA A 77 SER H 1.0 1.966 5.002 389 388 A 80 GLY H A 80 GLY HAy 1.0 1.912 4.410 390 389 A 83 LYS H A 83 LYS HA 1.0 1.935 4.619 391 390 A 83 LYS H A 83 LYS HBy 1.0 1.935 4.621 392 391 A 85 GLU HBy A 85 GLU H 1.0 0.000 6.000 393 392 A 98 THR H A 98 THR HA 1.0 1.924 4.510 394 393 A 100 HIS H A 99 ILE HA 1.0 1.758 3.460 395 394 A 100 HIS HBy A 100 HIS H 1.0 1.890 4.228 396 395 A 100 HIS HBx A 100 HIS H 1.0 1.898 4.298 397 396 A 100 HIS H A 100 HIS HA 1.0 1.884 4.188 398 397 A 100 HIS H A 99 ILE HG2% 1.0 1.789 3.617 399 398 A 70 ILE HG2% A 100 HIS H 1.0 1.774 3.534 400 399 A 103 LYS H A 103 LYS HGx 1.0 1.908 4.372 401 400 A 106 ALA H A 105 GLN HBx 1.0 1.962 4.942 402 401 A 106 ALA H A 105 GLN HA 1.0 1.714 3.262 403 402 A 109 LYS H A 109 LYS HA 1.0 1.703 3.217 404 403 A 112 GLU H A 112 GLU HA 1.0 1.752 3.430 405 404 A 112 GLU H A 112 GLU HGx 1.0 1.806 3.704 406 405 A 83 LYS H A 83 LYS HDx 1.0 1.901 4.323 407 406 A 83 LYS H A 83 LYS HGx 1.0 1.880 4.158 408 407 A 81 LYS H A 82 THR H 1.0 1.932 4.588 409 408 A 90 ILE H A 89 MET H 1.0 1.800 3.674 410 409 A 55 ASN HBy A 55 ASN HD2x 1.0 1.864 4.054 411 410 A 55 ASN HBx A 55 ASN HD2x 1.0 1.777 3.553 412 411 A 54 ASP HBy A 55 ASN HD2x 1.0 1.825 3.805 413 412 A 51 GLN HGy A 51 GLN HE2x 1.0 1.880 4.162 414 413 A 51 GLN HGx A 51 GLN HE2x 1.0 1.872 4.108 415 414 A 51 GLN HGy A 51 GLN HE2y 1.0 1.808 3.712 416 415 A 51 GLN HGx A 51 GLN HE2y 1.0 1.770 3.516 417 416 A 51 GLN HBx A 51 GLN HE2y 1.0 1.904 4.342 418 417 A 31 ASN HBy A 31 ASN HD2x 1.0 1.827 3.817 419 418 A 31 ASN H A 30 GLN H 1.0 1.677 3.109 420 419 A 86 VAL H A 87 ALA H 1.0 1.824 3.800 421 420 A 91 GLN HA A 31 ASN HD2x 1.0 1.860 4.022 422 421 A 55 ASN HA A 55 ASN HD2y 1.0 1.884 4.194 423 422 A 86 VAL H A 87 ALA H 1.0 1.801 3.679 424 423 A 107 ASP H A 106 ALA H 1.0 0.000 6.000 425 424 A 30 GLN H A 32 LEU H 1.0 1.744 3.394 426 425 A 64 VAL H A 63 THR H 1.0 1.867 4.069 427 426 A 53 PHE HE% A 51 GLN HE2y 1.0 1.783 3.579 428 427 A 58 ALA H A 60 LEU H 1.0 1.911 4.395 429 428 A 92 GLU H A 90 ILE HA 1.0 1.908 4.372 430 429 A 113 VAL H A 111 LEU HA 1.0 1.926 4.532 431 430 A 30 GLN HE2x A 30 GLN HGy 1.0 1.866 4.062 432 431 A 35 ILE HD1% A 34 GLY H 1.0 0.000 6.000 433 432 A 54 ASP H A 53 PHE H 1.0 1.870 4.092 434 433 A 97 VAL H A 25 LEU H 1.0 1.946 4.740 435 434 A 30 GLN H A 32 LEU H 1.0 1.903 4.333 436 435 A 30 GLN H A 32 LEU H 1.0 1.913 4.417 437 436 A 21 GLY H A 101 TYR H 1.0 1.938 4.654 438 437 A 78 ILE H A 81 LYS H 1.0 0.000 6.000 439 438 A 88 LYS H A 85 GLU H 1.0 0.000 6.000 440 439 A 44 CYS H A 44 CYS HBy 1.0 1.943 4.701 441 440 A 41 ALA HB% A 44 CYS H 1.0 1.960 4.902 442 441 A 80 GLY H A 81 LYS H 1.0 1.936 4.630 443 442 A 37 ILE H A 126 LEU H 1.0 1.924 4.512 444 443 A 23 VAL H A 101 TYR H 1.0 0.000 6.000 445 444 A 72 GLY H A 73 VAL H 1.0 1.920 4.482 446 445 A 57 PRO HDx A 28 ASP H 1.0 1.909 4.387 447 446 A 101 TYR HA A 101 TYR H 1.0 1.909 4.383 448 447 A 93 VAL H A 90 ILE HA 1.0 1.944 4.718 449 448 A 31 ASN HBx A 31 ASN HD2x 1.0 0.000 6.000 450 449 A 91 GLN HBx A 31 ASN HD2x 1.0 1.886 4.202 451 450 A 91 GLN HBy A 31 ASN HD2x 1.0 1.922 4.498 452 451 A 30 GLN HGy A 30 GLN HE2y 1.0 0.000 6.000 453 452 A 99 ILE H A 99 ILE HB 1.0 1.915 4.433 454 453 A 93 VAL HGy% A 94 LYS H 1.0 1.913 4.417 455 454 A 24 THR H A 25 LEU H 1.0 1.926 4.540 456 455 A 110 GLN H A 107 ASP HBy 1.0 1.922 4.496 457 456 A 30 GLN H A 28 ASP HA 1.0 1.942 4.698 458 457 A 88 LYS H A 85 GLU HBy 1.0 0.000 6.000 459 458 A 88 LYS H A 85 GLU HBy 1.0 0.000 6.000 460 459 A 109 LYS H A 106 ALA HB% 1.0 0.000 6.000 461 460 A 32 LEU H A 30 GLN HBy 1.0 1.920 4.484 462 461 A 32 LEU H A 31 ASN HBy 1.0 1.939 4.661 463 462 A 75 GLY H A 75 GLY HAy 1.0 1.926 4.534 464 463 A 75 GLY H A 74 ASN HA 1.0 1.926 4.530 465 464 A 76 ARG H A 75 GLY H 1.0 1.960 4.902 466 465 A 117 GLY H A 115 PHE HBy 1.0 1.946 4.738 467 466 A 55 ASN HA A 55 ASN HD2x 1.0 1.886 4.198 468 467 A 113 VAL H A 110 GLN HA 1.0 1.933 4.609 469 468 A 87 ALA HB% A 91 GLN H 1.0 1.922 4.502 470 469 A 59 ALA HB% A 53 PHE H 1.0 1.921 4.485 471 470 A 26 GLN H A 57 PRO HBy 1.0 1.944 4.722 472 471 A 35 ILE HD1% A 33 ILE H 1.0 1.932 4.590 473 472 A 48 TYR H A 48 TYR HBx 1.0 1.931 4.583 474 473 A 73 VAL H A 76 ARG HGx 1.0 1.928 4.562 475 474 A 23 VAL H A 99 ILE HB 1.0 1.858 4.014 476 475 A 23 VAL HGy% A 63 THR H 1.0 0.000 6.000 477 476 A 51 GLN HA A 66 ALA H 1.0 1.924 4.522 478 477 A 67 GLY HAy A 68 ASP H 1.0 1.843 3.913 479 478 A 96 GLU HA A 97 VAL H 1.0 1.661 3.045 480 479 A 98 THR H A 74 ASN HA 1.0 1.933 4.607 481 480 A 23 VAL H A 99 ILE H 1.0 1.914 4.424 482 481 A 76 ARG H A 75 GLY H 1.0 1.915 4.429 483 482 A 76 ARG H A 75 GLY H 1.0 1.939 4.663 484 483 A 33 ILE H A 35 ILE H 1.0 1.944 4.708 485 484 A 40 GLY H A 41 ALA H 1.0 1.908 4.372 486 485 A 88 LYS H A 86 VAL H 1.0 1.918 4.462 487 486 A 72 GLY H A 73 VAL H 1.0 1.921 4.493 488 487 A 91 GLN HBy A 31 ASN HD2y 1.0 1.910 4.396 489 488 A 91 GLN HGy A 31 ASN HD2x 1.0 1.913 4.417 490 489 A 32 LEU HBy A 30 GLN HE2x 1.0 0.000 6.000 491 490 A 30 GLN HBy A 30 GLN HE2y 1.0 1.850 3.960 492 491 A 27 LYS H A 97 VAL HGy% 1.0 1.921 4.487 493 492 A 19 VAL H A 20 PRO HDy 1.0 1.928 4.554 494 493 A 19 VAL HB A 103 LYS H 1.0 1.944 4.718 495 494 A 103 LYS H A 104 LEU HDy% 1.0 1.918 4.464 496 495 A 128 VAL H A 128 VAL HA 1.0 1.875 4.127 497 496 A 128 VAL H A 128 VAL HB 1.0 1.970 5.048 498 497 A 36 SER H A 49 ILE HG1y 1.0 1.940 4.678 499 498 A 36 SER H A 51 GLN HBy 1.0 0.000 6.000 500 499 A 36 SER H A 35 ILE HG1y 1.0 1.942 4.702 501 500 A 36 SER H A 35 ILE H 1.0 1.962 4.930 502 501 A 26 GLN HGy A 26 GLN HE2x 1.0 1.862 4.032 503 502 A 26 GLN HBx A 26 GLN HE2x 1.0 1.891 4.239 504 503 A 96 GLU HBy A 26 GLN HE2x 1.0 1.886 4.206 505 504 A 96 GLU HBx A 26 GLN HE2x 1.0 1.925 4.531 506 505 A 30 GLN H A 28 ASP HBx 1.0 1.924 4.518 507 506 A 35 ILE H A 35 ILE HG1y 1.0 1.931 4.589 508 507 A 36 SER H A 37 ILE H 1.0 1.972 5.080 509 508 A 41 ALA H A 47 LEU HDy% 1.0 1.901 4.319 510 509 A 62 GLY H A 62 GLY HAx 1.0 1.645 2.983 511 510 A 62 GLY H A 62 GLY HAy 1.0 1.649 3.001 512 511 A 61 ASP H A 62 GLY H 1.0 1.803 3.685 513 512 A 70 ILE H A 69 GLU H 1.0 1.939 4.667 514 513 A 68 ASP HA A 69 GLU H 1.0 1.778 3.558 515 514 A 48 TYR H A 49 ILE H 1.0 1.954 4.834 516 515 A 71 THR H A 71 THR HB 1.0 1.962 4.936 517 516 A 81 LYS H A 82 THR H 1.0 1.956 4.864 518 517 A 83 LYS H A 83 LYS HZ% 1.0 1.968 5.024 519 518 A 96 GLU H A 95 GLY H 1.0 1.936 4.632 520 519 A 27 LYS HDy A 95 GLY H 1.0 1.896 4.280 521 520 A 27 LYS HDx A 95 GLY H 1.0 1.943 4.707 522 521 A 93 VAL HGy% A 95 GLY H 1.0 1.919 4.471 523 522 A 30 GLN H A 28 ASP H 1.0 1.942 4.690 524 523 A 27 LYS H A 97 VAL H 1.0 1.917 4.453 525 524 A 102 ASN H A 101 TYR H 1.0 1.939 4.659 526 525 A 56 THR H A 54 ASP H 1.0 1.895 4.277 527 526 A 112 GLU H A 112 GLU HBy 1.0 1.597 2.809 528 527 A 112 GLU H A 109 LYS HA 1.0 1.876 4.138 529 528 A 88 LYS HGy A 89 MET H 1.0 1.745 3.399 530 529 A 111 LEU HBy A 112 GLU H 1.0 1.797 3.657 531 530 A 89 MET H A 73 VAL HGx% 1.0 0.000 6.000 532 531 A 117 GLY H A 117 GLY HAy 1.0 1.717 3.275 533 532 A 30 GLN HBx A 28 ASP H 1.0 0.000 6.000 534 533 A 61 ASP HBx A 62 GLY H 1.0 1.870 4.092 535 534 A 31 ASN HBy A 28 ASP H 1.0 0.000 6.000 536 535 A 127 LYS H A 126 LEU HDy% 1.0 1.810 3.722 537 536 A 23 VAL H A 99 ILE HG1x 1.0 1.852 3.970 538 537 A 23 VAL H A 24 THR HA 1.0 0.000 6.000 539 538 A 19 VAL H A 19 VAL HGy% 1.0 1.723 3.297 540 539 A 35 ILE HG1x A 37 ILE H 1.0 0.000 6.000 541 540 A 60 LEU H A 60 LEU HBx 1.0 0.000 6.000 542 541 A 23 VAL H A 100 HIS HA 1.0 1.900 4.310 543 542 A 124 HIS H A 124 HIS HA 1.0 1.886 4.198 544 543 A 86 VAL HGx% A 85 GLU H 1.0 1.864 4.046 545 544 A 64 VAL H A 63 THR H 1.0 1.747 3.407 546 545 A 62 GLY H A 61 ASP HA 1.0 1.902 4.326 547 546 A 62 GLY H A 61 ASP HBy 1.0 1.851 3.961 548 547 A 62 GLY H A 60 LEU HBx 1.0 1.914 4.426 549 548 A 60 LEU HBy A 62 GLY H 1.0 1.955 4.845 550 549 A 70 ILE H A 70 ILE HG2% 1.0 0.000 6.000 551 550 A 22 LYS H A 22 LYS HA 1.0 1.700 3.200 552 551 A 22 LYS H A 21 GLY HAy 1.0 1.709 3.239 553 552 A 22 LYS H A 22 LYS HGy 1.0 1.866 4.064 554 553 A 78 ILE HG1x A 79 LYS H 1.0 1.946 4.738 555 554 A 81 LYS H A 81 LYS HGy 1.0 1.876 4.134 556 555 A 30 GLN H A 29 ALA HB% 1.0 1.627 2.919 557 556 A 109 LYS H A 108 PRO HBx 1.0 1.763 3.479 558 557 A 109 LYS H A 109 LYS HGy 1.0 1.678 3.114 559 558 A 124 HIS H A 124 HIS HBy 1.0 1.914 4.424 560 559 A 45 PRO HA A 46 CYS H 1.0 1.894 4.266 561 560 A 26 GLN HA A 96 GLU H 1.0 1.917 4.451 562 561 A 110 GLN HBy A 107 ASP H 1.0 1.859 4.019 563 562 A 126 LEU H A 126 LEU HDy% 1.0 1.894 4.262 564 563 A 127 LYS H A 127 LYS HA 1.0 1.929 4.567 565 564 A 126 LEU HBx A 126 LEU H 1.0 1.836 3.876 566 565 A 83 LYS HDy A 126 LEU H 1.0 0.000 6.000 567 566 A 35 ILE H A 128 VAL H 1.0 1.926 4.538 568 567 A 37 ILE H A 36 SER HG 1.0 1.821 3.783 569 568 A 36 SER H A 36 SER HG 1.0 1.929 4.561 570 569 A 78 ILE H A 79 LYS HBx 1.0 1.915 4.439 571 570 A 62 GLY H A 63 THR H 1.0 1.907 4.371 572 571 A 64 VAL H A 62 GLY H 1.0 1.966 4.986 573 572 A 64 VAL HGy% A 63 THR H 1.0 1.915 4.435 574 573 A 40 GLY H A 47 LEU HDy% 1.0 1.865 4.053 575 574 A 38 GLY H A 126 LEU HG 1.0 0.000 6.000 576 575 A 41 ALA H A 44 CYS HBy 1.0 0.000 6.000 577 576 A 115 PHE HBx A 114 LEU H 1.0 1.947 4.751 578 577 A 115 PHE HBx A 114 LEU H 1.0 1.937 4.643 579 578 A 115 PHE H A 112 GLU HGx 1.0 1.958 4.884 580 579 A 117 GLY H A 118 PRO HBy 1.0 1.931 4.577 581 580 A 111 LEU H A 112 GLU HGx 1.0 1.919 4.467 582 581 A 107 ASP HBy A 111 LEU H 1.0 1.937 4.643 583 582 A 112 GLU H A 111 LEU H 1.0 1.842 3.908 584 583 A 110 GLN H A 113 VAL HGy% 1.0 0.000 6.000 585 584 A 110 GLN HA A 107 ASP H 1.0 1.944 4.726 586 585 A 107 ASP H A 111 LEU HDx% 1.0 0.000 6.000 587 586 A 23 VAL HA A 24 THR H 1.0 1.668 3.074 588 587 A 127 LYS H A 127 LYS HBx 1.0 1.853 3.977 589 588 A 35 ILE HD1% A 127 LYS H 1.0 0.000 6.000 590 589 A 35 ILE HD1% A 127 LYS H 1.0 0.000 6.000 591 590 A 127 LYS H A 127 LYS HBy 1.0 1.838 3.884 592 591 A 127 LYS H A 127 LYS HGy 1.0 1.866 4.064 593 592 A 70 ILE H A 70 ILE HG1y 1.0 1.884 4.184 594 593 A 59 ALA H A 56 THR HA 1.0 0.000 6.000 595 594 A 59 ALA H A 56 THR HG1 1.0 1.974 5.116 596 595 A 30 GLN HE2x A 127 LYS HZ% 1.0 1.927 4.537 597 596 A 49 ILE HG2% A 49 ILE HB 1.0 1.813 3.741 598 597 A 93 VAL HGy% A 93 VAL HA 1.0 1.731 3.333 599 598 A 93 VAL HA A 93 VAL HGx% 1.0 1.702 3.212 600 599 A 49 ILE HG1x A 49 ILE HA 1.0 1.818 3.770 601 600 A 118 PRO HBy A 118 PRO HA 1.0 1.664 3.060 602 601 A 118 PRO HA A 118 PRO HBx 1.0 1.784 3.588 603 602 A 45 PRO HA A 45 PRO HBy 1.0 1.721 3.291 604 603 A 45 PRO HA A 45 PRO HBx 1.0 1.727 3.321 605 604 A 19 VAL HA A 19 VAL HB 1.0 1.854 3.982 606 605 A 78 ILE HA A 78 ILE HG2% 1.0 1.675 3.097 607 606 A 58 ALA HA A 25 LEU HDy% 1.0 0.000 6.000 608 607 A 52 VAL HGx% A 59 ALA HA 1.0 1.640 2.966 609 608 A 128 VAL HGy% A 87 ALA HA 1.0 1.692 3.166 610 609 A 87 ALA HA A 128 VAL HGx% 1.0 1.690 3.162 611 610 A 86 VAL HGx% A 83 LYS HA 1.0 1.716 3.270 612 611 A 111 LEU HA A 111 LEU HDx% 1.0 1.878 4.150 613 612 A 111 LEU HA A 111 LEU HDy% 1.0 1.785 3.595 614 613 A 18 PRO HDx A 104 LEU HDy% 1.0 1.805 3.697 615 614 A 104 LEU HDy% A 18 PRO HDy 1.0 1.848 3.946 616 615 A 87 ALA HA A 90 ILE HG2% 1.0 1.864 4.052 617 616 A 88 LYS HGy A 88 LYS HA 1.0 1.767 3.505 618 617 A 114 LEU HA A 114 LEU HBx 1.0 1.780 3.566 619 618 A 60 LEU HA A 60 LEU HBy 1.0 1.703 3.215 620 619 A 79 LYS HA A 79 LYS HBx 1.0 1.758 3.460 621 620 A 79 LYS HBy A 79 LYS HA 1.0 1.730 3.332 622 621 A 60 LEU HA A 60 LEU HBx 1.0 1.668 3.072 623 622 A 59 ALA HB% A 59 ALA HA 1.0 1.623 2.903 624 623 A 111 LEU HBx A 111 LEU HA 1.0 1.823 3.799 625 624 A 111 LEU HBy A 111 LEU HA 1.0 1.874 4.122 626 625 A 83 LYS HA A 83 LYS HBy 1.0 1.852 3.976 627 626 A 88 LYS HA A 88 LYS HBx 1.0 1.615 2.875 628 626 A 88 LYS HA A 88 LYS HBy 1.0 1.615 2.875 629 627 A 109 LYS HBy A 109 LYS HA 1.0 1.644 2.982 630 628 A 51 GLN HA A 51 GLN HGy 1.0 1.815 3.753 631 629 A 51 GLN HA A 51 GLN HBy 1.0 1.825 3.811 632 630 A 17 ILE HA A 18 PRO HDx 1.0 1.713 3.257 633 631 A 18 PRO HDx A 17 ILE HB 1.0 1.842 3.910 634 632 A 17 ILE HA A 17 ILE HB 1.0 1.846 3.934 635 633 A 17 ILE HB A 17 ILE HD1% 1.0 1.749 3.419 636 634 A 17 ILE HB A 17 ILE HG1x 1.0 1.702 3.208 637 635 A 17 ILE HB A 17 ILE HG1y 1.0 1.765 3.493 638 636 A 17 ILE HG1y A 17 ILE HG2% 1.0 1.724 3.306 639 637 A 17 ILE HA A 17 ILE HG1y 1.0 1.891 4.243 640 638 A 17 ILE HA A 17 ILE HG2% 1.0 1.707 3.233 641 639 A 17 ILE HG2% A 18 PRO HDy 1.0 1.841 3.901 642 640 A 17 ILE HB A 17 ILE HG2% 1.0 1.623 2.905 643 641 A 17 ILE HG2% A 17 ILE HD1% 1.0 1.410 2.246 644 642 A 17 ILE HG1y A 17 ILE HD1% 1.0 1.630 2.926 645 643 A 18 PRO HDx A 17 ILE HG2% 1.0 1.786 3.594 646 644 A 17 ILE HA A 18 PRO HDy 1.0 1.654 3.020 647 645 A 102 ASN HBx A 18 PRO HDy 1.0 1.878 4.142 648 646 A 18 PRO HGy A 18 PRO HDy 1.0 1.650 3.002 649 647 A 18 PRO HDy A 18 PRO HBx 1.0 1.836 3.872 650 648 A 18 PRO HDx A 18 PRO HBx 1.0 1.887 4.213 651 649 A 19 VAL HA A 18 PRO HBx 1.0 0.000 6.000 652 650 A 110 GLN HA A 113 VAL HB 1.0 1.874 4.118 653 651 A 18 PRO HBx A 104 LEU HDx% 1.0 1.811 3.731 654 652 A 18 PRO HDx A 18 PRO HBy 1.0 1.853 3.981 655 653 A 18 PRO HBy A 18 PRO HDy 1.0 1.870 4.094 656 654 A 19 VAL HA A 18 PRO HBy 1.0 0.000 6.000 657 655 A 19 VAL HA A 20 PRO HDy 1.0 1.616 2.878 658 656 A 73 VAL HGx% A 89 MET HBx 1.0 1.825 3.813 659 657 A 19 VAL HB A 20 PRO HDy 1.0 1.892 4.250 660 658 A 19 VAL HA A 19 VAL HGy% 1.0 1.627 2.919 661 659 A 111 LEU HBx A 107 ASP HA 1.0 1.815 3.753 662 660 A 103 LYS HEy A 103 LYS HGy 1.0 1.574 2.732 663 661 A 88 LYS HDy A 88 LYS HEy 1.0 1.500 2.500 664 662 A 88 LYS HGx A 88 LYS HEy 1.0 1.825 3.807 665 663 A 88 LYS HGy A 88 LYS HEy 1.0 1.759 3.463 666 664 A 88 LYS HGx A 88 LYS HDy 1.0 0.000 6.000 667 665 A 88 LYS HGy A 88 LYS HDy 1.0 0.000 6.000 668 666 A 88 LYS HGy A 88 LYS HBy 1.0 0.000 6.000 669 667 A 88 LYS HGx A 88 LYS HBy 1.0 1.606 2.844 670 668 A 23 VAL HA A 23 VAL HB 1.0 1.752 3.428 671 669 A 23 VAL HB A 23 VAL HGx% 1.0 1.634 2.944 672 670 A 64 VAL HGy% A 23 VAL HGy% 1.0 1.739 3.369 673 671 A 64 VAL HGx% A 23 VAL HGy% 1.0 1.928 4.558 674 672 A 23 VAL HA A 23 VAL HGx% 1.0 1.686 3.144 675 673 A 24 THR HB A 24 THR HG2% 1.0 1.643 2.975 676 674 A 24 THR HB A 24 THR HA 1.0 1.937 4.643 677 675 A 25 LEU HBx A 25 LEU HDx% 1.0 1.752 3.432 678 676 A 25 LEU HBy A 25 LEU HDx% 1.0 1.748 3.410 679 677 A 25 LEU HBy A 25 LEU HDy% 1.0 1.783 3.581 680 678 A 25 LEU HBx A 57 PRO HBy 1.0 1.917 4.455 681 679 A 25 LEU HBy A 57 PRO HBy 1.0 1.931 4.581 682 680 A 25 LEU HA A 25 LEU HBx 1.0 1.918 4.464 683 681 A 25 LEU HBy A 25 LEU HA 1.0 1.904 4.348 684 682 A 76 ARG HA A 76 ARG HGx 1.0 1.791 3.627 685 683 A 26 GLN HA A 26 GLN HBx 1.0 1.752 3.434 686 684 A 26 GLN HA A 26 GLN HBy 1.0 1.766 3.494 687 685 A 26 GLN HA A 96 GLU HA 1.0 1.799 3.663 688 686 A 26 GLN HA A 97 VAL HGy% 1.0 1.853 3.981 689 687 A 26 GLN HBy A 26 GLN HGy 1.0 1.646 2.990 690 688 A 26 GLN HA A 26 GLN HGy 1.0 1.806 3.704 691 689 A 57 PRO HGx A 57 PRO HDy 1.0 1.703 3.215 692 690 A 26 GLN HBx A 26 GLN HGy 1.0 1.529 2.591 693 691 A 83 LYS HDx A 83 LYS HEx 1.0 1.766 3.502 694 691 A 83 LYS HDy A 83 LYS HEy 1.0 1.766 3.502 695 691 A 83 LYS HDy A 83 LYS HEx 1.0 1.766 3.502 696 692 A 27 LYS HBx A 27 LYS HDy 1.0 0.000 6.000 697 693 A 27 LYS HBx A 27 LYS HA 1.0 1.852 3.970 698 694 A 27 LYS HBy A 27 LYS HA 1.0 1.804 3.690 699 695 A 27 LYS HA A 27 LYS HDx 1.0 1.823 3.799 700 696 A 27 LYS HA A 27 LYS HGy 1.0 1.834 3.860 701 697 A 33 ILE HG2% A 27 LYS HA 1.0 1.791 3.623 702 698 A 91 GLN HBx A 91 GLN HGy 1.0 1.792 3.628 703 699 A 91 GLN HGy A 91 GLN HBy 1.0 1.751 3.429 704 700 A 91 GLN HA A 91 GLN HGy 1.0 1.840 3.896 705 701 A 128 VAL HGy% A 91 GLN HGy 1.0 0.000 6.000 706 702 A 27 LYS HBx A 27 LYS HGy 1.0 1.824 3.804 707 703 A 27 LYS HBy A 27 LYS HGy 1.0 1.907 4.369 708 704 A 28 ASP HA A 28 ASP HBy 1.0 1.811 3.725 709 705 A 28 ASP HA A 28 ASP HBx 1.0 1.791 3.623 710 706 A 30 GLN HBx A 30 GLN HA 1.0 1.584 2.766 711 707 A 30 GLN HA A 30 GLN HGy 1.0 1.717 3.273 712 708 A 30 GLN HBy A 30 GLN HA 1.0 1.748 3.414 713 709 A 111 LEU HBy A 110 GLN HBy 1.0 0.000 6.000 714 710 A 110 GLN HBy A 109 LYS HGy 1.0 1.868 4.078 715 711 A 110 GLN HGy A 110 GLN HBy 1.0 1.446 2.342 716 712 A 31 ASN HA A 27 LYS HBx 1.0 1.900 4.314 717 713 A 31 ASN HA A 27 LYS HBy 1.0 1.770 3.516 718 714 A 31 ASN HA A 31 ASN HBx 1.0 1.783 3.581 719 715 A 31 ASN HA A 31 ASN HBy 1.0 1.769 3.515 720 716 A 43 TYR HA A 43 TYR HBy 1.0 1.839 3.891 721 717 A 32 LEU HBy A 32 LEU HG 1.0 1.807 3.707 722 718 A 32 LEU HDx% A 32 LEU HBy 1.0 1.703 3.213 723 719 A 32 LEU HG A 32 LEU HBx 1.0 1.847 3.941 724 720 A 32 LEU HDx% A 32 LEU HBx 1.0 1.705 3.219 725 721 A 32 LEU HDy% A 32 LEU HBy 1.0 1.754 3.442 726 722 A 32 LEU HDy% A 32 LEU HG 1.0 1.610 2.860 727 723 A 32 LEU HDy% A 128 VAL HA 1.0 0.000 6.000 728 724 A 32 LEU HDy% A 32 LEU HBx 1.0 1.696 3.184 729 725 A 33 ILE HG2% A 33 ILE HB 1.0 1.573 2.729 730 726 A 33 ILE HB A 33 ILE HA 1.0 1.783 3.585 731 727 A 35 ILE HG1x A 128 VAL HGx% 1.0 0.000 6.000 732 728 A 33 ILE HG2% A 33 ILE HG1y 1.0 1.489 2.467 733 729 A 70 ILE HG2% A 70 ILE HB 1.0 1.723 3.299 734 730 A 70 ILE HB A 70 ILE HG1x 1.0 1.732 3.340 735 731 A 33 ILE HB A 33 ILE HG1y 1.0 1.700 3.202 736 732 A 128 VAL HGx% A 33 ILE HA 1.0 0.000 6.000 737 733 A 33 ILE HG1x A 128 VAL HGx% 1.0 0.000 6.000 738 734 A 33 ILE HB A 33 ILE HD1% 1.0 1.680 3.122 739 735 A 84 VAL HA A 87 ALA HB% 1.0 1.729 3.329 740 736 A 87 ALA HA A 87 ALA HB% 1.0 1.625 2.911 741 737 A 65 ALA HA A 65 ALA HB% 1.0 1.582 2.762 742 738 A 55 ASN HA A 55 ASN HBy 1.0 1.685 3.141 743 739 A 55 ASN HA A 55 ASN HBx 1.0 1.733 3.341 744 740 A 59 ALA HB% A 54 ASP HA 1.0 1.653 3.017 745 741 A 54 ASP HA A 54 ASP HBx 1.0 1.663 3.055 746 742 A 105 GLN HBy A 105 GLN HA 1.0 1.794 3.636 747 743 A 105 GLN HBx A 105 GLN HA 1.0 1.776 3.548 748 744 A 87 ALA HA A 90 ILE HB 1.0 1.859 4.015 749 745 A 51 GLN HA A 51 GLN HGx 1.0 1.853 3.979 750 746 A 55 ASN HA A 56 THR HG2% 1.0 0.000 6.000 751 747 A 104 LEU HA A 104 LEU HDy% 1.0 1.778 3.558 752 748 A 105 GLN HA A 104 LEU HDy% 1.0 1.861 4.029 753 749 A 33 ILE HG1x A 33 ILE HD1% 1.0 1.615 2.875 754 749 A 33 ILE HG1y A 33 ILE HD1% 1.0 1.615 2.875 755 750 A 35 ILE HG1x A 33 ILE HD1% 1.0 1.770 3.518 756 751 A 41 ALA HA A 41 ALA HB% 1.0 1.843 3.917 757 752 A 24 THR HB A 98 THR HG2% 1.0 1.600 2.820 758 753 A 113 VAL HA A 113 VAL HGy% 1.0 1.646 2.990 759 754 A 63 THR HA A 23 VAL HGx% 1.0 0.000 6.000 760 755 A 58 ALA HB% A 58 ALA HA 1.0 1.654 3.020 761 756 A 34 GLY HAy A 56 THR HG2% 1.0 1.772 3.528 762 757 A 57 PRO HDx A 56 THR HG2% 1.0 1.851 3.963 763 758 A 56 THR HG2% A 56 THR HB 1.0 1.845 3.931 764 759 A 73 VAL HGy% A 74 ASN HBy 1.0 0.000 6.000 765 760 A 64 VAL HGy% A 64 VAL HA 1.0 1.750 3.422 766 761 A 53 PHE HA A 52 VAL HGx% 1.0 1.857 4.003 767 762 A 28 ASP HA A 56 THR HG2% 1.0 0.000 6.000 768 763 A 98 THR HG2% A 24 THR HA 1.0 1.805 3.699 769 764 A 128 VAL HGy% A 33 ILE HA 1.0 0.000 6.000 770 765 A 26 GLN HA A 97 VAL HGx% 1.0 1.711 3.247 771 766 A 110 GLN HA A 113 VAL HGy% 1.0 1.850 3.962 772 767 A 113 VAL HA A 113 VAL HGx% 1.0 1.721 3.293 773 768 A 73 VAL HGy% A 89 MET HBy 1.0 0.000 6.000 774 769 A 64 VAL HGy% A 64 VAL HB 1.0 1.708 3.236 775 770 A 52 VAL HB A 52 VAL HGy% 1.0 1.607 2.847 776 771 A 59 ALA HB% A 52 VAL HGx% 1.0 1.651 3.009 777 772 A 52 VAL HB A 52 VAL HGx% 1.0 1.611 2.861 778 773 A 86 VAL HGx% A 86 VAL HB 1.0 1.536 2.610 779 774 A 73 VAL HB A 73 VAL HGx% 1.0 1.600 2.822 780 775 A 73 VAL HB A 73 VAL HGy% 1.0 1.610 2.856 781 776 A 128 VAL HGy% A 90 ILE HB 1.0 1.601 2.825 782 777 A 23 VAL HGy% A 23 VAL HB 1.0 1.671 3.083 783 778 A 97 VAL HGy% A 96 GLU HBx 1.0 0.000 6.000 784 779 A 93 VAL HGx% A 90 ILE HG1y 1.0 0.000 6.000 785 780 A 58 ALA HB% A 35 ILE HG2% 1.0 1.538 2.618 786 781 A 43 TYR HA A 43 TYR HBx 1.0 1.819 3.777 787 782 A 90 ILE HG2% A 128 VAL HB 1.0 0.000 6.000 788 783 A 128 VAL HGy% A 128 VAL HB 1.0 1.679 3.119 789 784 A 128 VAL HGx% A 128 VAL HB 1.0 1.640 2.966 790 785 A 78 ILE HB A 86 VAL HGy% 1.0 1.743 3.389 791 786 A 78 ILE HG1x A 78 ILE HB 1.0 1.818 3.766 792 786 A 78 ILE HB A 78 ILE HG1y 1.0 1.818 3.766 793 787 A 78 ILE HG2% A 78 ILE HB 1.0 1.615 2.875 794 788 A 97 VAL HGy% A 97 VAL HB 1.0 1.646 2.986 795 789 A 97 VAL HB A 97 VAL HGx% 1.0 1.664 3.058 796 790 A 85 GLU HGx A 85 GLU HBx 1.0 1.827 3.819 797 791 A 112 GLU HA A 112 GLU HGy 1.0 1.875 4.127 798 792 A 97 VAL HA A 97 VAL HB 1.0 1.770 3.516 799 793 A 128 VAL HA A 128 VAL HB 1.0 1.725 3.307 800 794 A 44 CYS HBx A 44 CYS HA 1.0 1.883 4.177 801 795 A 44 CYS HBy A 44 CYS HA 1.0 1.871 4.097 802 796 A 61 ASP HA A 61 ASP HBy 1.0 1.754 3.442 803 797 A 20 PRO HBx A 20 PRO HDy 1.0 1.819 3.777 804 798 A 92 GLU HA A 91 GLN HBy 1.0 0.000 6.000 805 799 A 104 LEU HBy A 104 LEU HDx% 1.0 1.763 3.483 806 800 A 104 LEU HA A 104 LEU HBy 1.0 1.851 3.969 807 801 A 49 ILE HG2% A 49 ILE HA 1.0 1.816 3.756 808 802 A 49 ILE HD1% A 49 ILE HA 1.0 1.788 3.606 809 803 A 66 ALA HA A 49 ILE HD1% 1.0 1.779 3.563 810 804 A 49 ILE HD1% A 49 ILE HB 1.0 0.000 6.000 811 805 A 49 ILE HD1% A 49 ILE HG1y 1.0 1.803 3.687 812 806 A 66 ALA HB% A 49 ILE HD1% 1.0 1.756 3.452 813 807 A 49 ILE HD1% A 49 ILE HG1x 1.0 1.605 2.843 814 808 A 84 VAL HB A 84 VAL HGx% 1.0 1.535 2.609 815 809 A 84 VAL HB A 84 VAL HGy% 1.0 1.595 2.805 816 810 A 51 GLN HGx A 51 GLN HBy 1.0 1.810 3.722 817 811 A 96 GLU HBx A 93 VAL HGy% 1.0 0.000 6.000 818 812 A 113 VAL HB A 113 VAL HGx% 1.0 1.650 3.002 819 813 A 113 VAL HB A 113 VAL HGy% 1.0 1.629 2.923 820 814 A 50 VAL HB A 50 VAL HGy% 1.0 1.581 2.757 821 815 A 74 ASN HBx A 74 ASN HA 1.0 1.821 3.791 822 816 A 91 GLN HGx A 91 GLN HA 1.0 1.824 3.802 823 817 A 20 PRO HA A 20 PRO HBx 1.0 1.771 3.525 824 818 A 20 PRO HA A 20 PRO HBy 1.0 1.817 3.765 825 819 A 60 LEU HA A 60 LEU HDx% 1.0 1.699 3.197 826 820 A 105 GLN HA A 104 LEU HDx% 1.0 0.000 6.000 827 821 A 99 ILE HA A 99 ILE HD1% 1.0 1.754 3.438 828 822 A 76 ARG HA A 76 ARG HBy 1.0 1.745 3.395 829 823 A 96 GLU HA A 96 GLU HBx 1.0 1.829 3.831 830 824 A 103 LYS HEy A 103 LYS HDy 1.0 1.784 3.590 831 825 A 76 ARG HGx A 76 ARG HDy 1.0 1.760 3.470 832 826 A 76 ARG HDy A 76 ARG HGy 1.0 1.740 3.376 833 827 A 76 ARG HBy A 76 ARG HDy 1.0 1.793 3.631 834 828 A 60 LEU HDx% A 61 ASP HBy 1.0 1.794 3.642 835 829 A 60 LEU HDx% A 61 ASP HBx 1.0 1.791 3.625 836 830 A 71 THR HG2% A 102 ASN HBx 1.0 0.000 6.000 837 831 A 89 MET HGy A 88 LYS HBx 1.0 1.750 3.424 838 832 A 91 GLN HGx A 91 GLN HBx 1.0 1.704 3.218 839 833 A 89 MET HBy A 89 MET HGx 1.0 1.787 3.601 840 834 A 86 VAL HA A 86 VAL HB 1.0 1.716 3.270 841 835 A 18 PRO HGx A 102 ASN HBx 1.0 1.795 3.643 842 836 A 64 VAL HGx% A 64 VAL HB 1.0 1.668 3.072 843 837 A 60 LEU HDx% A 60 LEU HBx 1.0 1.647 2.993 844 838 A 60 LEU HDx% A 60 LEU HG 1.0 1.665 3.061 845 839 A 35 ILE HD1% A 35 ILE HG1x 1.0 1.762 3.480 846 840 A 35 ILE HG1x A 35 ILE HG2% 1.0 1.756 3.448 847 841 A 118 PRO HA A 118 PRO HDy 1.0 1.686 3.144 848 842 A 71 THR HA A 71 THR HB 1.0 1.680 3.120 849 843 A 53 PHE HA A 53 PHE HBx 1.0 1.808 3.710 850 844 A 61 ASP HBx A 61 ASP HA 1.0 1.693 3.175 851 845 A 106 ALA HB% A 106 ALA HA 1.0 1.667 3.067 852 846 A 71 THR HG2% A 71 THR HB 1.0 1.620 2.896 853 847 A 55 ASN HA A 60 LEU HDy% 1.0 1.830 3.834 854 848 A 29 ALA HA A 29 ALA HB% 1.0 1.526 2.578 855 849 A 89 MET HA A 89 MET HBx 1.0 1.604 2.838 856 850 A 92 GLU HA A 92 GLU HBy 1.0 0.000 6.000 857 851 A 110 GLN HA A 110 GLN HBx 1.0 1.626 2.916 858 852 A 110 GLN HA A 110 GLN HBy 1.0 1.743 3.389 859 853 A 108 PRO HBx A 108 PRO HA 1.0 1.717 3.275 860 854 A 89 MET HA A 89 MET HGx 1.0 1.816 3.756 861 855 A 85 GLU HA A 85 GLU HGy 1.0 1.760 3.470 862 856 A 85 GLU HA A 85 GLU HGx 1.0 1.750 3.422 863 857 A 91 GLN HA A 91 GLN HBy 1.0 1.785 3.595 864 858 A 89 MET HGy A 89 MET HA 1.0 1.710 3.242 865 859 A 89 MET HBy A 89 MET HA 1.0 1.630 2.930 866 860 A 92 GLU HA A 92 GLU HGy 1.0 0.000 6.000 867 861 A 18 PRO HGx A 18 PRO HDy 1.0 1.642 2.974 868 862 A 85 GLU HA A 85 GLU HBx 1.0 1.657 3.031 869 863 A 64 VAL HB A 64 VAL HA 1.0 1.761 3.473 870 864 A 88 LYS HGx A 88 LYS HA 1.0 1.769 3.509 871 865 A 63 THR HG2% A 63 THR HA 1.0 1.687 3.145 872 866 A 32 LEU HDx% A 56 THR HB 1.0 0.000 6.000 873 867 A 35 ILE HG2% A 52 VAL HA 1.0 1.673 3.093 874 868 A 28 ASP HA A 56 THR HB 1.0 0.000 6.000 875 869 A 57 PRO HA A 57 PRO HBy 1.0 1.701 3.207 876 870 A 57 PRO HBx A 57 PRO HA 1.0 1.748 3.412 877 871 A 57 PRO HA A 60 LEU HG 1.0 1.801 3.679 878 872 A 111 LEU HBy A 108 PRO HA 1.0 1.842 3.910 879 873 A 60 LEU HBy A 57 PRO HA 1.0 1.863 4.039 880 874 A 111 LEU HBx A 108 PRO HA 1.0 1.881 4.169 881 875 A 60 LEU HDx% A 57 PRO HA 1.0 1.819 3.769 882 876 A 111 LEU HDx% A 108 PRO HA 1.0 1.859 4.015 883 877 A 51 GLN HBx A 52 VAL HA 1.0 0.000 6.000 884 878 A 51 GLN HGx A 51 GLN HBx 1.0 1.796 3.650 885 879 A 50 VAL HB A 51 GLN HBx 1.0 1.807 3.709 886 880 A 51 GLN HA A 51 GLN HBx 1.0 1.883 4.183 887 881 A 35 ILE HB A 52 VAL HA 1.0 1.901 4.321 888 882 A 52 VAL HA A 52 VAL HB 1.0 1.859 4.015 889 883 A 35 ILE HB A 52 VAL HGy% 1.0 0.000 6.000 890 884 A 52 VAL HGy% A 65 ALA HB% 1.0 1.754 3.438 891 885 A 66 ALA HB% A 52 VAL HGx% 1.0 0.000 6.000 892 886 A 53 PHE HA A 53 PHE HBy 1.0 1.819 3.773 893 887 A 60 LEU HBy A 60 LEU HDx% 1.0 1.756 3.448 894 888 A 58 ALA HB% A 33 ILE HB 1.0 1.841 3.907 895 889 A 58 ALA HB% A 59 ALA HB% 1.0 1.835 3.869 896 890 A 58 ALA HB% A 52 VAL HGy% 1.0 0.000 6.000 897 891 A 111 LEU HBx A 111 LEU HDy% 1.0 1.782 3.576 898 892 A 111 LEU HBy A 111 LEU HDy% 1.0 1.850 3.958 899 893 A 111 LEU HBy A 111 LEU HDx% 1.0 1.787 3.605 900 894 A 111 LEU HBx A 111 LEU HDx% 1.0 1.782 3.576 901 895 A 60 LEU HDy% A 60 LEU HG 1.0 1.590 2.786 902 896 A 60 LEU HDy% A 60 LEU HBy 1.0 1.684 3.136 903 897 A 128 VAL HGy% A 87 ALA HB% 1.0 1.654 3.018 904 898 A 25 LEU HDy% A 61 ASP HBy 1.0 1.855 3.993 905 899 A 25 LEU HDy% A 61 ASP HBx 1.0 1.857 4.001 906 900 A 64 VAL HGx% A 64 VAL HA 1.0 1.843 3.919 907 901 A 66 ALA HB% A 65 ALA HA 1.0 0.000 6.000 908 902 A 66 ALA HA A 66 ALA HB% 1.0 1.695 3.181 909 903 A 49 ILE HG2% A 68 ASP HBy 1.0 1.853 3.979 910 904 A 82 THR HA A 86 VAL HGx% 1.0 0.000 6.000 911 905 A 74 ASN HBy A 74 ASN HA 1.0 1.885 4.197 912 906 A 86 VAL HGx% A 83 LYS HBy 1.0 0.000 6.000 913 907 A 78 ILE HD1% A 77 SER HA 1.0 1.791 3.621 914 908 A 78 ILE HA A 81 LYS HDy 1.0 1.849 3.953 915 909 A 78 ILE HA A 81 LYS HDx 1.0 1.847 3.945 916 910 A 78 ILE HA A 78 ILE HB 1.0 1.747 3.407 917 911 A 78 ILE HD1% A 78 ILE HG1x 1.0 1.518 2.552 918 912 A 78 ILE HD1% A 78 ILE HB 1.0 1.752 3.434 919 913 A 79 LYS HBx A 79 LYS HGy 1.0 1.722 3.296 920 914 A 88 LYS HGx A 88 LYS HBy 1.0 1.732 3.340 921 914 A 88 LYS HGx A 88 LYS HBx 1.0 1.732 3.340 922 915 A 88 LYS HGx A 88 LYS HBx 1.0 1.735 3.353 923 916 A 88 LYS HGy A 88 LYS HBx 1.0 1.726 3.310 924 917 A 103 LYS HBy A 103 LYS HGy 1.0 1.732 3.336 925 918 A 97 VAL HGy% A 97 VAL HA 1.0 1.856 3.996 926 919 A 82 THR HA A 83 LYS HGx 1.0 1.875 4.125 927 920 A 83 LYS HBx A 83 LYS HA 1.0 1.786 3.598 928 921 A 84 VAL HA A 84 VAL HGx% 1.0 1.680 3.120 929 922 A 84 VAL HA A 84 VAL HGy% 1.0 1.698 3.194 930 923 A 84 VAL HA A 84 VAL HB 1.0 1.773 3.533 931 924 A 38 GLY HAy A 50 VAL HGx% 1.0 1.696 3.184 932 925 A 50 VAL HB A 50 VAL HGx% 1.0 1.576 2.738 933 926 A 85 GLU HBy A 85 GLU HGy 1.0 1.808 3.716 934 927 A 85 GLU HBy A 85 GLU HA 1.0 1.870 4.086 935 928 A 85 GLU HGy A 85 GLU HBx 1.0 1.775 3.543 936 929 A 85 GLU HA A 84 VAL HGx% 1.0 1.877 4.135 937 930 A 86 VAL HGy% A 86 VAL HB 1.0 1.613 2.869 938 931 A 87 ALA HB% A 126 LEU HDy% 1.0 1.538 2.616 939 932 A 86 VAL HGx% A 87 ALA HB% 1.0 0.000 6.000 940 933 A 88 LYS HA A 91 GLN HGy 1.0 1.847 3.943 941 934 A 89 MET HGx A 89 MET HBx 1.0 1.858 4.008 942 935 A 86 VAL HB A 89 MET HGx 1.0 0.000 6.000 943 936 A 89 MET HGy A 89 MET HBx 1.0 1.787 3.601 944 937 A 89 MET HBy A 89 MET HGy 1.0 1.705 3.221 945 938 A 90 ILE HA A 90 ILE HG1y 1.0 1.694 3.178 946 939 A 90 ILE HA A 90 ILE HG2% 1.0 1.705 3.225 947 940 A 90 ILE HG2% A 90 ILE HG1y 1.0 0.000 6.000 948 941 A 90 ILE HB A 90 ILE HG2% 1.0 1.663 3.053 949 942 A 32 LEU HBx A 90 ILE HG2% 1.0 1.853 3.979 950 943 A 27 LYS HDy A 90 ILE HG2% 1.0 1.788 3.610 951 944 A 91 GLN HBx A 91 GLN HA 1.0 1.777 3.551 952 945 A 112 GLU HA A 112 GLU HBy 1.0 1.664 3.058 953 946 A 91 GLN HGx A 91 GLN HBy 1.0 1.570 2.720 954 947 A 92 GLU HGy A 92 GLU HBy 1.0 1.598 2.814 955 948 A 113 VAL HB A 112 GLU HGx 1.0 0.000 6.000 956 949 A 112 GLU HBy A 112 GLU HGy 1.0 1.574 2.734 957 950 A 96 GLU HGx A 96 GLU HBy 1.0 1.654 3.018 958 951 A 93 VAL HA A 93 VAL HB 1.0 1.848 3.946 959 952 A 68 ASP HBy A 70 ILE HD1% 1.0 1.833 3.851 960 953 A 35 ILE HD1% A 35 ILE HB 1.0 1.712 3.254 961 954 A 35 ILE HG2% A 49 ILE HG1y 1.0 1.688 3.154 962 955 A 96 GLU HA A 96 GLU HBy 1.0 1.859 4.015 963 956 A 96 GLU HGx A 96 GLU HBx 1.0 1.656 3.026 964 956 A 96 GLU HBx A 96 GLU HGy 1.0 1.656 3.026 965 957 A 33 ILE HG2% A 97 VAL HB 1.0 1.818 3.766 966 958 A 93 VAL HGy% A 90 ILE HA 1.0 1.852 3.972 967 959 A 93 VAL HGy% A 93 VAL HB 1.0 1.586 2.774 968 960 A 99 ILE HD1% A 98 THR HG2% 1.0 0.000 6.000 969 961 A 99 ILE HG2% A 99 ILE HB 1.0 1.657 3.031 970 962 A 99 ILE HD1% A 99 ILE HB 1.0 1.763 3.483 971 963 A 99 ILE HB A 99 ILE HG1x 1.0 1.841 3.899 972 964 A 99 ILE HB A 99 ILE HG1y 1.0 1.840 3.896 973 965 A 23 VAL HGy% A 99 ILE HG1x 1.0 1.762 3.478 974 966 A 99 ILE HG1x A 23 VAL HGx% 1.0 1.854 3.986 975 967 A 102 ASN HA A 102 ASN HBy 1.0 1.860 4.026 976 968 A 102 ASN HA A 102 ASN HBx 1.0 1.891 4.241 977 969 A 17 ILE HB A 102 ASN HBx 1.0 1.817 3.767 978 970 A 104 LEU HBy A 104 LEU HDy% 1.0 0.000 6.000 979 971 A 126 LEU HBy A 126 LEU HDx% 1.0 1.544 2.636 980 972 A 88 LYS HA A 88 LYS HDy 1.0 1.860 4.026 981 973 A 108 PRO HA A 108 PRO HBy 1.0 1.788 3.606 982 974 A 79 LYS HBy A 79 LYS HGy 1.0 1.784 3.586 983 975 A 110 GLN HA A 110 GLN HGy 1.0 1.795 3.645 984 976 A 110 GLN HA A 110 GLN HGx 1.0 1.800 3.668 985 977 A 113 VAL HA A 113 VAL HB 1.0 1.826 3.816 986 978 A 116 GLN HBy A 116 GLN HA 1.0 1.800 3.670 987 979 A 116 GLN HA A 116 GLN HBx 1.0 1.874 4.122 988 980 A 118 PRO HDx A 118 PRO HGy 1.0 1.661 3.043 989 981 A 128 VAL HGy% A 128 VAL HA 1.0 1.721 3.291 990 982 A 128 VAL HGx% A 128 VAL HA 1.0 1.668 3.074 991 983 A 75 GLY HAx A 76 ARG HA 1.0 0.000 6.000 992 984 A 20 PRO HBy A 20 PRO HDy 1.0 0.000 6.000 993 985 A 103 LYS HDy A 103 LYS HEx 1.0 1.843 3.915 994 986 A 87 ALA HB% A 88 LYS HBx 1.0 0.000 6.000 995 987 A 35 ILE HB A 49 ILE HG1x 1.0 1.830 3.834 996 988 A 35 ILE HB A 35 ILE HG2% 1.0 1.734 3.348 997 989 A 27 LYS HGy A 27 LYS HDy 1.0 1.725 3.309 998 990 A 33 ILE HG1x A 128 VAL HGy% 1.0 1.768 3.506 999 991 A 33 ILE HG1y A 128 VAL HGy% 1.0 1.750 3.426 1000 992 A 32 LEU HBx A 128 VAL HGx% 1.0 1.615 2.877 1001 993 A 55 ASN HBx A 56 THR HG2% 1.0 1.969 7.027 1002 994 A 52 VAL HA A 52 VAL HGy% 1.0 0.000 6.000 1003 995 A 23 VAL HGy% A 24 THR HA 1.0 1.856 3.998 1004 996 A 106 ALA HB% A 104 LEU HBy 1.0 1.895 4.267 1005 997 A 64 VAL HGx% A 99 ILE HG2% 1.0 1.601 2.827 1006 998 A 81 LYS HDx A 78 ILE HG1y 1.0 0.000 6.000 1007 999 A 81 LYS HBx A 81 LYS HDy 1.0 0.000 6.000 1008 1000 A 81 LYS HBx A 81 LYS HDx 1.0 1.816 3.758 1009 1001 A 17 ILE HG1x A 102 ASN HBx 1.0 1.834 3.856 1010 1002 A 86 VAL HGy% A 86 VAL HA 1.0 0.000 6.000 1011 1003 A 93 VAL HGy% A 97 VAL HA 1.0 1.738 3.368 1012 1004 A 88 LYS HGy A 92 GLU HBy 1.0 1.857 4.003 1013 1005 A 76 ARG HA A 76 ARG HGy 1.0 0.000 6.000 1014 1006 A 66 ALA HB% A 51 GLN HA 1.0 1.704 3.216 1015 1007 A 104 LEU HDy% A 104 LEU HG 1.0 1.755 3.441 1016 1008 A 47 LEU HG A 47 LEU HDx% 1.0 1.593 2.797 1017 1009 A 32 LEU HBx A 33 ILE HG1x 1.0 1.692 3.166 1018 1010 A 18 PRO HGy A 104 LEU HDy% 1.0 1.623 2.903 1019 1011 A 64 VAL HGy% A 99 ILE HG2% 1.0 1.631 2.931 1020 1012 A 104 LEU HDx% A 104 LEU HG 1.0 1.535 2.607 1021 1013 A 17 ILE HG1x A 17 ILE HG2% 1.0 0.000 6.000 1022 1014 A 49 ILE HB A 70 ILE HD1% 1.0 1.716 3.268 1023 1015 A 70 ILE HD1% A 70 ILE HG1y 1.0 1.632 2.934 1024 1016 A 70 ILE HB A 70 ILE HD1% 1.0 0.000 6.000 1025 1017 A 52 VAL HA A 52 VAL HGx% 1.0 1.738 3.366 1026 1018 A 52 VAL HGy% A 65 ALA HA 1.0 1.669 3.077 1027 1019 A 73 VAL HGy% A 78 ILE HA 1.0 1.681 3.125 1028 1020 A 72 GLY HAy A 73 VAL HGy% 1.0 1.665 3.061 1029 1021 A 27 LYS HBx A 27 LYS HDx 1.0 1.757 3.457 1030 1022 A 83 LYS HBy A 83 LYS HEy 1.0 1.994 5.562 1031 1022 A 83 LYS HBy A 83 LYS HEx 1.0 1.994 5.562 1032 1023 A 56 THR HB A 57 PRO HDy 1.0 0.000 6.000 1033 1024 A 60 LEU HDy% A 60 LEU HBx 1.0 1.739 3.375 1034 1025 A 74 ASN HA A 73 VAL HGx% 1.0 1.899 4.305 1035 1026 A 74 ASN HBx A 73 VAL HGx% 1.0 1.922 4.502 1036 1027 A 126 LEU HBx A 126 LEU HDx% 1.0 1.762 3.482 1037 1027 A 126 LEU HBx A 126 LEU HDy% 1.0 1.762 3.482 1038 1028 A 126 LEU HDy% A 126 LEU HBy 1.0 1.723 3.299 1039 1029 A 99 ILE HD1% A 99 ILE HG1x 1.0 1.694 3.174 1040 1030 A 99 ILE HD1% A 99 ILE HG1y 1.0 1.721 3.289 1041 1031 A 99 ILE HG2% A 99 ILE HD1% 1.0 1.535 2.607 1042 1032 A 49 ILE HG1y A 70 ILE HD1% 1.0 1.674 3.094 1043 1033 A 35 ILE HD1% A 33 ILE HG1x 1.0 1.797 3.651 1044 1034 A 35 ILE HD1% A 49 ILE HG1y 1.0 1.826 3.816 1045 1035 A 19 VAL HB A 19 VAL HGy% 1.0 1.487 2.461 1046 1036 A 17 ILE HG1x A 17 ILE HD1% 1.0 1.623 2.903 1047 1037 A 17 ILE HA A 17 ILE HG1x 1.0 1.883 4.185 1048 1038 A 17 ILE HA A 17 ILE HD1% 1.0 1.900 4.312 1049 1039 A 17 ILE HB A 18 PRO HDy 1.0 1.863 4.045 1050 1040 A 68 ASP HBy A 103 LYS HEy 1.0 0.000 6.000 1051 1041 A 68 ASP HBx A 103 LYS HEy 1.0 0.000 6.000 1052 1042 A 83 LYS HBx A 83 LYS HEy 1.0 1.825 3.809 1053 1042 A 83 LYS HBx A 83 LYS HEx 1.0 1.825 3.809 1054 1043 A 56 THR HG2% A 53 PHE HBy 1.0 1.730 3.334 1055 1044 A 56 THR HG2% A 53 PHE HBx 1.0 1.763 3.485 1056 1045 A 68 ASP HBx A 70 ILE HD1% 1.0 1.861 4.027 1057 1046 A 56 THR HG2% A 34 GLY HAx 1.0 1.768 3.510 1058 1047 A 35 ILE HG2% A 36 SER HA 1.0 0.000 6.000 1059 1048 A 77 SER HBx A 78 ILE HG2% 1.0 0.000 6.000 1060 1049 A 86 VAL HA A 89 MET HGx 1.0 1.844 3.924 1061 1050 A 64 VAL HB A 70 ILE HD1% 1.0 1.701 3.207 1062 1051 A 33 ILE HG1x A 128 VAL HA 1.0 1.900 4.314 1063 1052 A 87 ALA HA A 128 VAL HA 1.0 0.000 6.000 1064 1053 A 126 LEU HBx A 126 LEU HDx% 1.0 1.586 2.776 1065 1054 A 83 LYS HBy A 126 LEU HDx% 1.0 1.793 3.635 1066 1055 A 83 LYS HBx A 126 LEU HDx% 1.0 1.808 3.712 1067 1056 A 126 LEU HDx% A 126 LEU HA 1.0 0.000 6.000 1068 1057 A 27 LYS HDy A 32 LEU HA 1.0 1.887 4.209 1069 1058 A 27 LYS HDx A 32 LEU HA 1.0 1.826 3.814 1070 1059 A 56 THR HG2% A 56 THR HG1 1.0 1.730 3.332 1071 1060 A 56 THR HG2% A 56 THR HA 1.0 1.678 3.110 1072 1061 A 35 ILE HB A 35 ILE HA 1.0 1.674 3.094 1073 1062 A 35 ILE HA A 35 ILE HG2% 1.0 1.692 3.166 1074 1063 A 35 ILE HA A 35 ILE HG2% 1.0 1.601 2.825 1075 1064 A 20 PRO HA A 20 PRO HBy 1.0 1.870 4.090 1076 1065 A 35 ILE HA A 52 VAL HA 1.0 1.636 2.950 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 21 GLY H A 101 TYR O 1.0 1.73 2.7 2 2 A 23 VAL H A 99 ILE O 1.0 1.73 2.7 3 3 A 25 LEU H A 97 VAL O 1.0 1.73 2.7 4 4 A 27 LYS H A 95 GLY O 1.0 1.73 2.7 5 5 A 28 ASP H A 32 LEU O 1.0 1.73 2.7 6 6 A 31 ASN H A 28 ASP O 1.0 1.73 2.7 7 7 A 36 SER H A 51 GLN O 1.0 1.73 2.7 8 8 A 38 GLY H A 48 TYR O 1.0 1.73 2.7 9 9 A 49 ILE H A 68 ASP O 1.0 1.73 2.7 10 10 A 50 VAL H A 36 SER O 1.0 1.73 2.7 11 11 A 53 PHE H A 34 GLY O 1.0 1.73 2.7 12 12 A 58 ALA H A 33 ILE O 1.0 1.73 2.7 13 13 A 60 LEU H A 56 THR O 1.0 1.73 2.7 14 14 A 61 ASP H A 57 PRO O 1.0 1.73 2.7 15 15 A 67 GLY H A 49 ILE O 1.0 1.73 2.7 16 16 A 68 ASP H A 65 ALA O 1.0 1.73 2.7 17 17 A 69 GLU H A 102 ASN O 1.0 1.73 2.7 18 18 A 71 THR H A 100 HIS O 1.0 1.73 2.7 19 19 A 73 VAL H A 76 ARG O 1.0 1.73 2.7 20 20 A 74 ASN H A 98 THR O 1.0 1.73 2.7 21 21 A 73 VAL H A 76 ARG O 1.0 1.73 2.7 22 22 A 78 ILE H A 71 THR O 1.0 1.73 2.7 23 23 A 86 VAL H A 82 THR O 1.0 1.73 2.7 24 24 A 87 ALA H A 83 LYS O 1.0 1.73 2.7 25 25 A 88 LYS H A 84 VAL O 1.0 1.73 2.7 26 26 A 89 MET H A 85 GLU O 1.0 1.73 2.7 27 27 A 91 GLN H A 87 ALA O 1.0 1.73 2.7 28 28 A 90 ILE H A 86 VAL O 1.0 1.73 2.7 29 29 A 92 GLU H A 88 LYS O 1.0 1.73 2.7 30 30 A 97 VAL H A 25 LEU O 1.0 1.73 2.7 31 31 A 99 ILE H A 23 VAL O 1.0 1.73 2.7 32 32 A 100 HIS H A 72 GLY O 1.0 1.73 2.7 33 33 A 101 TYR H A 21 GLY O 1.0 1.73 2.7 34 34 A 102 ASN H A 69 GLU O 1.0 1.73 2.7 35 35 A 35 ILE H A 128 VAL O 1.0 1.73 2.2 36 36 A 37 ILE H A 126 LEU O 1.0 1.73 2.7 37 37 A 126 LEU H A 37 ILE O 1.0 1.73 2.5 38 38 A 128 VAL H A 35 ILE O 1.0 1.73 2.2 39 39 A 33 ILE H A 128 VAL O 1.0 1.73 2.4 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 22 LYS C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -160.0 -89.90 PHI 2 2 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 THR N 1.0 100.0 158.02 PSI 3 3 A 23 VAL C A 24 THR N A 24 THR CA A 24 THR C 1.0 -150.0 -64.06 PHI 4 4 A 24 THR N A 24 THR CA A 24 THR C A 25 LEU N 1.0 100.0 165.46 PSI 5 5 A 25 LEU C A 26 GLN N A 26 GLN CA A 26 GLN C 1.0 -160.0 -85.30 PHI 6 6 A 26 GLN N A 26 GLN CA A 26 GLN C A 27 LYS N 1.0 100.0 155.62 PSI 7 7 A 28 ASP C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -90.0 -38.88 PHI 8 8 A 29 ALA C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -120.0 -70.00 PHI 9 9 A 30 GLN N A 30 GLN CA A 30 GLN C A 31 ASN N 1.0 -20.0 30.00 PSI 10 10 A 30 GLN C A 31 ASN N A 31 ASN CA A 31 ASN C 1.0 40.0 70.14 PHI 11 11 A 31 ASN N A 31 ASN CA A 31 ASN C A 32 LEU N 1.0 10.0 79.82 PSI 12 12 A 34 GLY C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -170.0 -99.88 PHI 13 13 A 48 TYR C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -110.0 -45.36 PHI 14 14 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 VAL N 1.0 90.0 152.38 PSI 15 15 A 49 ILE C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -120.0 -52.14 PHI 16 16 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 GLN N 1.0 -70.0 0.44 PSI 17 17 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 PHE N 1.0 90.0 159.78 PSI 18 18 A 56 THR C A 57 PRO N A 57 PRO CA A 57 PRO C 1.0 -70.0 -39.90 PHI 19 19 A 57 PRO N A 57 PRO CA A 57 PRO C A 58 ALA N 1.0 -60.0 -9.90 PSI 20 20 A 57 PRO C A 58 ALA N A 58 ALA CA A 58 ALA C 1.0 -90.0 -34.58 PHI 21 21 A 68 ASP C A 69 GLU N A 69 GLU CA A 69 GLU C 1.0 -150.0 -49.58 PHI 22 22 A 72 GLY C A 73 VAL N A 73 VAL CA A 73 VAL C 1.0 -150.0 -100.02 PHI 23 23 A 73 VAL N A 73 VAL CA A 73 VAL C A 74 ASN N 1.0 110.0 159.32 PSI 24 24 A 73 VAL C A 74 ASN N A 74 ASN CA A 74 ASN C 1.0 40.0 70.00 PHI 25 25 A 74 ASN N A 74 ASN CA A 74 ASN C A 75 GLY N 1.0 20.0 70.00 PSI 26 26 A 74 ASN C A 75 GLY N A 75 GLY CA A 75 GLY C 1.0 50.0 100.00 PHI 27 27 A 75 GLY N A 75 GLY CA A 75 GLY C A 76 ARG N 1.0 -20.0 49.92 PSI 28 28 A 75 GLY C A 76 ARG N A 76 ARG CA A 76 ARG C 1.0 -150.0 -98.62 PHI 29 29 A 76 ARG N A 76 ARG CA A 76 ARG C A 77 SER N 1.0 100.0 170.58 PSI 30 30 A 78 ILE C A 79 LYS N A 79 LYS CA A 79 LYS C 1.0 -90.0 -39.36 PHI 31 31 A 80 GLY N A 80 GLY CA A 80 GLY C A 81 LYS N 1.0 -30.0 0.40 PSI 32 32 A 82 THR C A 83 LYS N A 83 LYS CA A 83 LYS C 1.0 -80.0 -32.36 PHI 33 33 A 83 LYS N A 83 LYS CA A 83 LYS C A 84 VAL N 1.0 -70.0 -17.82 PSI 34 34 A 83 LYS C A 84 VAL N A 84 VAL CA A 84 VAL C 1.0 -90.0 -39.08 PHI 35 35 A 84 VAL N A 84 VAL CA A 84 VAL C A 85 GLU N 1.0 -70.0 -12.64 PSI 36 36 A 84 VAL C A 85 GLU N A 85 GLU CA A 85 GLU C 1.0 -90.0 -39.82 PHI 37 37 A 85 GLU N A 85 GLU CA A 85 GLU C A 86 VAL N 1.0 -70.0 -18.92 PSI 38 38 A 85 GLU C A 86 VAL N A 86 VAL CA A 86 VAL C 1.0 -90.0 -39.94 PHI 39 39 A 86 VAL N A 86 VAL CA A 86 VAL C A 87 ALA N 1.0 -60.0 -29.54 PSI 40 40 A 86 VAL C A 87 ALA N A 87 ALA CA A 87 ALA C 1.0 -80.0 -48.88 PHI 41 41 A 87 ALA N A 87 ALA CA A 87 ALA C A 88 LYS N 1.0 -70.0 -4.72 PSI 42 42 A 87 ALA C A 88 LYS N A 88 LYS CA A 88 LYS C 1.0 -90.0 -38.30 PHI 43 43 A 88 LYS N A 88 LYS CA A 88 LYS C A 89 MET N 1.0 -70.0 -14.06 PSI 44 44 A 88 LYS C A 89 MET N A 89 MET CA A 89 MET C 1.0 -90.0 -39.72 PHI 45 45 A 89 MET N A 89 MET CA A 89 MET C A 90 ILE N 1.0 -70.0 -19.78 PSI 46 46 A 89 MET C A 90 ILE N A 90 ILE CA A 90 ILE C 1.0 -90.0 -39.88 PHI 47 47 A 90 ILE N A 90 ILE CA A 90 ILE C A 91 GLN N 1.0 -70.0 -19.44 PSI 48 48 A 90 ILE C A 91 GLN N A 91 GLN CA A 91 GLN C 1.0 -90.0 -38.68 PHI 49 49 A 91 GLN C A 92 GLU N A 92 GLU CA A 92 GLU C 1.0 -90.0 -39.48 PHI 50 50 A 92 GLU N A 92 GLU CA A 92 GLU C A 93 VAL N 1.0 -60.0 9.12 PSI 51 51 A 95 GLY C A 96 GLU N A 96 GLU CA A 96 GLU C 1.0 -180.0 -76.16 PHI 52 52 A 96 GLU N A 96 GLU CA A 96 GLU C A 97 VAL N 1.0 110.0 177.86 PSI 53 53 A 96 GLU C A 97 VAL N A 97 VAL CA A 97 VAL C 1.0 -170.0 -92.64 PHI 54 54 A 97 VAL N A 97 VAL CA A 97 VAL C A 98 THR N 1.0 100.0 162.26 PSI 55 55 A 97 VAL C A 98 THR N A 98 THR CA A 98 THR C 1.0 -140.0 -81.62 PHI 56 56 A 98 THR N A 98 THR CA A 98 THR C A 99 ILE N 1.0 100.0 146.78 PSI 57 57 A 99 ILE N A 99 ILE CA A 99 ILE C A 100 HIS N 1.0 100.0 150.04 PSI 58 58 A 99 ILE C A 100 HIS N A 100 HIS CA A 100 HIS C 1.0 -150.0 -62.44 PHI 59 59 A 102 ASN C A 103 LYS N A 103 LYS CA A 103 LYS C 1.0 -150.0 -96.52 PHI 60 60 A 125 TRP C A 126 LEU N A 126 LEU CA A 126 LEU C 1.0 -170.0 -89.36 PHI 61 61 A 125 TRP C A 126 LEU N A 126 LEU CA A 126 LEU C 1.0 -170.0 -89.36 PHI 62 62 A 126 LEU N A 126 LEU CA A 126 LEU C A 127 LYS N 1.0 110.0 167.92 PSI 63 63 A 126 LEU N A 126 LEU CA A 126 LEU C A 127 LYS N 1.0 110.0 167.92 PSI 64 64 A 124 HIS N A 124 HIS CA A 124 HIS C A 125 TRP N 1.0 90.0 167.46 PSI 65 65 A 124 HIS C A 125 TRP N A 125 TRP CA A 125 TRP C 1.0 -170.0 -71.20 PHI 66 66 A 125 TRP N A 125 TRP CA A 125 TRP C A 126 LEU N 1.0 100.0 184.16 PSI stop_ save_