data_nef_c15348_2jrz save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code . GI:11321605 . P41229 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 SER start . . 2 A 2 MET middle . . 3 A 3 ASN middle . . 4 A 4 GLU middle . . 5 A 5 LEU middle . . 6 A 6 GLU middle . . 7 A 7 ALA middle . . 8 A 8 GLN middle . . 9 A 9 THR middle . . 10 A 10 ARG middle . . 11 A 11 VAL middle . . 12 A 12 LYS middle . . 13 A 13 LEU middle . . 14 A 14 ASN middle . . 15 A 15 TYR middle . . 16 A 16 LEU middle . . 17 A 17 ASP middle . . 18 A 18 GLN middle . . 19 A 19 ILE middle . . 20 A 20 ALA middle . . 21 A 21 LYS middle . . 22 A 22 PHE middle . . 23 A 23 TRP middle . . 24 A 24 GLU middle . . 25 A 25 ILE middle . . 26 A 26 GLN middle . . 27 A 27 GLY middle . false 28 A 28 SER middle . . 29 A 29 SER middle . . 30 A 30 LEU middle . . 31 A 31 LYS middle . . 32 A 32 ILE middle . . 33 A 33 PRO middle . false 34 A 34 ASN middle . . 35 A 35 VAL middle . . 36 A 36 GLU middle . . 37 A 37 ARG middle . . 38 A 38 ARG middle . . 39 A 39 ILE middle . . 40 A 40 LEU middle . . 41 A 41 ASP middle . . 42 A 42 LEU middle . . 43 A 43 TYR middle . . 44 A 44 SER middle . . 45 A 45 LEU middle . . 46 A 46 SER middle . . 47 A 47 LYS middle . . 48 A 48 ILE middle . . 49 A 49 VAL middle . . 50 A 50 VAL middle . . 51 A 51 GLU middle . . 52 A 52 GLU middle . . 53 A 53 GLY middle . false 54 A 54 GLY middle . false 55 A 55 TYR middle . . 56 A 56 GLU middle . . 57 A 57 ALA middle . . 58 A 58 ILE middle . . 59 A 59 CYS middle . . 60 A 60 LYS middle . . 61 A 61 ASP middle . . 62 A 62 ARG middle . . 63 A 63 ARG middle . . 64 A 64 TRP middle . . 65 A 65 ALA middle . . 66 A 66 ARG middle . . 67 A 67 VAL middle . . 68 A 68 ALA middle . . 69 A 69 GLN middle . . 70 A 70 ARG middle . . 71 A 71 LEU middle . . 72 A 72 ASN middle . . 73 A 73 TYR middle . . 74 A 74 PRO middle . false 75 A 75 PRO middle . false 76 A 76 GLY middle . false 77 A 77 LYS middle . . 78 A 78 ASN middle . . 79 A 79 ILE middle . . 80 A 80 GLY middle . false 81 A 81 SER middle . . 82 A 82 LEU middle . . 83 A 83 LEU middle . . 84 A 84 ARG middle . . 85 A 85 SER middle . . 86 A 86 HIS middle . . 87 A 87 TYR middle . . 88 A 88 GLU middle . . 89 A 89 ARG middle . . 90 A 90 ILE middle . . 91 A 91 VAL middle . . 92 A 92 TYR middle . . 93 A 93 PRO middle . false 94 A 94 TYR middle . . 95 A 95 GLU middle . . 96 A 96 MET middle . . 97 A 97 TYR middle . . 98 A 98 GLN middle . . 99 A 99 SER middle . . 100 A 100 GLY middle . false 101 A 101 ALA middle . . 102 A 102 ASN middle . . 103 A 103 LEU middle . . 104 A 104 VAL middle . . 105 A 105 CYS middle . . 106 A 106 ASN middle . . 107 A 107 THR middle . . 108 A 108 ARG middle . . 109 A 109 PRO middle . false 110 A 110 PHE middle . . 111 A 111 ASP middle . . 112 A 112 ASN middle . . 113 A 113 GLU middle . . 114 A 114 GLU middle . . 115 A 115 LYS middle . . 116 A 116 ASP middle . . 117 A 117 LYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 SER HA H 1 4.147 0.05 A 1 SER HB2 H 1 4.021 0.002 A 1 SER HB3 H 1 4.021 0.002 A 1 SER CB C 13 63.448 0.2 A 2 MET HA H 1 4.534 0.011 A 2 MET HB2 H 1 2.091 0.018 A 2 MET HB3 H 1 2.091 0.018 A 2 MET HE% H 1 2.113 0.05 A 2 MET HG2 H 1 2.615 0.004 A 2 MET HG3 H 1 2.615 0.004 A 2 MET C C 13 174.355 0.2 A 2 MET CA C 13 56.247 0.2 A 2 MET CB C 13 32.855 0.082 A 2 MET CE C 13 16.888 0.2 A 2 MET CG C 13 31.907 0.2 A 3 ASN H H 1 8.600 0.007 A 3 ASN HA H 1 4.711 0.006 A 3 ASN HB2 H 1 2.878 0.014 A 3 ASN HB3 H 1 2.878 0.014 A 3 ASN HD21 H 1 7.662 0.05 A 3 ASN HD22 H 1 6.960 0.05 A 3 ASN C C 13 173.983 0.004 A 3 ASN CA C 13 53.650 0.2 A 3 ASN CB C 13 38.624 0.122 A 3 ASN N N 15 120.149 0.043 A 3 ASN ND2 N 15 113.028 0.003 A 4 GLU H H 1 8.495 0.003 A 4 GLU HA H 1 4.235 0.016 A 4 GLU HB2 H 1 2.073 0.004 A 4 GLU HB3 H 1 2.073 0.004 A 4 GLU HG2 H 1 2.300 0.05 A 4 GLU HG3 H 1 2.300 0.05 A 4 GLU C C 13 175.752 0.2 A 4 GLU CA C 13 58.075 0.006 A 4 GLU CB C 13 30.125 0.034 A 4 GLU N N 15 121.543 0.035 A 5 LEU HA H 1 4.073 0.05 A 5 LEU HDx% H 1 1.140 0.05 A 5 LEU HDy% H 1 1.083 0.006 A 5 LEU HG H 1 2.141 0.05 A 5 LEU CB C 13 41.897 0.2 A 5 LEU CDx C 13 23.236 0.2 A 5 LEU CDy C 13 25.456 0.2 A 6 GLU H H 1 8.332 0.001 A 6 GLU HA H 1 3.621 0.011 A 6 GLU C C 13 176.402 0.006 A 6 GLU CA C 13 58.461 0.2 A 6 GLU CB C 13 29.730 0.2 A 6 GLU N N 15 121.462 0.007 A 7 ALA H H 1 8.244 0.012 A 7 ALA HA H 1 4.185 0.003 A 7 ALA HB% H 1 1.500 0.004 A 7 ALA C C 13 177.982 0.005 A 7 ALA CA C 13 54.791 0.2 A 7 ALA CB C 13 18.836 0.020 A 7 ALA N N 15 123.078 0.085 A 8 GLN H H 1 8.274 0.004 A 8 GLN HA H 1 4.219 0.005 A 8 GLN HB2 H 1 2.189 0.007 A 8 GLN HB3 H 1 2.189 0.007 A 8 GLN HE21 H 1 7.542 0.05 A 8 GLN HE22 H 1 6.873 0.05 A 8 GLN HG2 H 1 2.504 0.05 A 8 GLN HG3 H 1 2.504 0.05 A 8 GLN C C 13 176.325 0.003 A 8 GLN CA C 13 57.864 0.057 A 8 GLN CB C 13 28.768 0.2 A 8 GLN CG C 13 34.505 0.2 A 8 GLN N N 15 117.452 0.008 A 8 GLN NE2 N 15 111.883 0.002 A 9 THR H H 1 8.043 0.005 A 9 THR HA H 1 3.998 0.012 A 9 THR HB H 1 4.341 0.005 A 9 THR HG2% H 1 1.280 0.007 A 9 THR C C 13 173.904 0.005 A 9 THR CA C 13 65.435 0.026 A 9 THR CB C 13 68.870 0.2 A 9 THR CG2 C 13 22.516 0.2 A 9 THR N N 15 116.135 0.032 A 10 ARG H H 1 8.095 0.004 A 10 ARG HA H 1 4.040 0.010 A 10 ARG HB2 H 1 1.962 0.012 A 10 ARG HB3 H 1 1.962 0.012 A 10 ARG HD2 H 1 3.251 0.003 A 10 ARG HD3 H 1 3.251 0.003 A 10 ARG HG2 H 1 1.738 0.014 A 10 ARG HG3 H 1 1.738 0.014 A 10 ARG C C 13 176.583 0.001 A 10 ARG CA C 13 59.262 0.016 A 10 ARG CB C 13 29.900 0.112 A 10 ARG N N 15 121.157 0.006 A 11 VAL H H 1 7.657 0.010 A 11 VAL HA H 1 3.769 0.014 A 11 VAL HB H 1 2.071 0.020 A 11 VAL HGx% H 1 1.034 0.045 A 11 VAL HGy% H 1 0.978 0.063 A 11 VAL C C 13 176.662 0.009 A 11 VAL CA C 13 65.914 0.013 A 11 VAL CB C 13 31.745 0.006 A 11 VAL N N 15 118.580 0.024 A 12 LYS H H 1 7.471 0.011 A 12 LYS HA H 1 3.366 0.015 A 12 LYS HBx H 1 1.595 0.004 A 12 LYS HBy H 1 1.827 0.011 A 12 LYS HE2 H 1 3.063 0.05 A 12 LYS HE3 H 1 3.063 0.05 A 12 LYS HGx H 1 1.040 0.05 A 12 LYS HGy H 1 1.338 0.05 A 12 LYS C C 13 176.457 0.005 A 12 LYS CA C 13 59.545 0.010 A 12 LYS CB C 13 32.206 0.070 A 12 LYS N N 15 121.835 0.084 A 13 LEU H H 1 8.144 0.019 A 13 LEU HA H 1 4.093 0.002 A 13 LEU HBx H 1 1.607 0.012 A 13 LEU HBy H 1 1.822 0.006 A 13 LEU HD1% H 1 0.893 0.05 A 13 LEU HD2% H 1 0.893 0.05 A 13 LEU C C 13 178.254 0.008 A 13 LEU CA C 13 58.023 0.2 A 13 LEU CB C 13 41.283 0.044 A 13 LEU N N 15 118.688 0.056 A 14 ASN H H 1 8.384 0.004 A 14 ASN HA H 1 4.567 0.05 A 14 ASN HB2 H 1 2.935 0.013 A 14 ASN HB3 H 1 2.935 0.013 A 14 ASN HD21 H 1 7.406 0.05 A 14 ASN HD22 H 1 6.783 0.05 A 14 ASN C C 13 175.397 0.008 A 14 ASN CA C 13 56.239 0.2 A 14 ASN CB C 13 38.432 0.2 A 14 ASN N N 15 118.175 0.034 A 14 ASN ND2 N 15 112.371 0.003 A 15 TYR H H 1 7.982 0.005 A 15 TYR HA H 1 4.249 0.003 A 15 TYR HB2 H 1 3.330 0.019 A 15 TYR HB3 H 1 3.330 0.019 A 15 TYR HDx H 1 7.191 0.009 A 15 TYR HDy H 1 7.191 0.009 A 15 TYR HEx H 1 6.840 0.021 A 15 TYR HEy H 1 6.840 0.021 A 15 TYR C C 13 175.503 0.006 A 15 TYR CA C 13 62.450 0.008 A 15 TYR CB C 13 39.399 0.018 A 15 TYR N N 15 121.955 0.012 A 16 LEU H H 1 8.198 0.002 A 16 LEU HA H 1 4.470 0.006 A 16 LEU HBx H 1 2.794 0.006 A 16 LEU HBy H 1 2.917 0.013 A 16 LEU HD1% H 1 1.136 0.05 A 16 LEU HD2% H 1 1.136 0.05 A 16 LEU HG H 1 1.466 0.05 A 16 LEU C C 13 177.125 0.2 A 16 LEU CA C 13 57.374 0.119 A 16 LEU CB C 13 41.443 0.035 A 16 LEU N N 15 117.642 0.019 A 17 ASP H H 1 8.061 0.010 A 17 ASP C C 13 177.836 0.2 A 17 ASP CA C 13 57.486 0.2 A 17 ASP CB C 13 41.433 0.2 A 17 ASP N N 15 118.700 0.063 A 18 GLN H H 1 8.111 0.016 A 18 GLN HA H 1 4.002 0.003 A 18 GLN HE21 H 1 7.391 0.007 A 18 GLN HE22 H 1 6.970 0.05 A 18 GLN HG2 H 1 2.604 0.002 A 18 GLN HG3 H 1 2.604 0.002 A 18 GLN CA C 13 59.046 0.2 A 18 GLN CB C 13 28.700 0.2 A 18 GLN CG C 13 34.538 0.2 A 18 GLN N N 15 119.539 0.172 A 18 GLN NE2 N 15 112.505 0.1 A 19 ILE H H 1 8.330 0.013 A 19 ILE HA H 1 3.306 0.004 A 19 ILE HB H 1 1.064 0.007 A 19 ILE HD1% H 1 0.878 0.012 A 19 ILE HG2% H 1 0.983 0.012 A 19 ILE C C 13 175.608 0.006 A 19 ILE CA C 13 64.760 0.133 A 19 ILE CB C 13 37.148 0.048 A 19 ILE CD1 C 13 14.190 0.150 A 19 ILE CG2 C 13 17.624 0.030 A 19 ILE N N 15 121.490 0.053 A 20 ALA H H 1 8.057 0.005 A 20 ALA HA H 1 4.349 0.05 A 20 ALA HB% H 1 1.657 0.017 A 20 ALA C C 13 179.297 0.010 A 20 ALA CA C 13 56.150 0.2 A 20 ALA CB C 13 18.104 0.056 A 20 ALA N N 15 124.441 0.017 A 21 LYS H H 1 8.116 0.006 A 21 LYS HA H 1 4.108 0.022 A 21 LYS HB2 H 1 1.952 0.015 A 21 LYS HB3 H 1 1.952 0.015 A 21 LYS HD2 H 1 1.691 0.006 A 21 LYS HD3 H 1 1.691 0.006 A 21 LYS HE2 H 1 3.004 0.012 A 21 LYS HE3 H 1 3.004 0.012 A 21 LYS HG2 H 1 1.554 0.05 A 21 LYS HG3 H 1 1.554 0.05 A 21 LYS C C 13 176.720 0.010 A 21 LYS CA C 13 59.166 0.2 A 21 LYS CB C 13 32.085 0.040 A 21 LYS CE C 13 42.121 0.175 A 21 LYS N N 15 119.865 0.036 A 22 PHE H H 1 7.875 0.005 A 22 PHE HA H 1 4.012 0.05 A 22 PHE HB2 H 1 3.088 0.004 A 22 PHE HB3 H 1 3.088 0.004 A 22 PHE HDx H 1 6.061 0.014 A 22 PHE HDy H 1 6.061 0.014 A 22 PHE HEx H 1 5.930 0.010 A 22 PHE HEy H 1 5.930 0.010 A 22 PHE C C 13 175.545 0.009 A 22 PHE CA C 13 61.070 0.096 A 22 PHE CB C 13 39.072 0.2 A 22 PHE CDx C 13 131.597 0.2 A 22 PHE CDy C 13 131.597 0.2 A 22 PHE CEx C 13 130.906 0.033 A 22 PHE CEy C 13 130.906 0.033 A 22 PHE N N 15 119.729 0.015 A 23 TRP H H 1 7.841 0.015 A 23 TRP HA H 1 4.149 0.05 A 23 TRP HBx H 1 2.981 0.002 A 23 TRP HBy H 1 3.537 0.004 A 23 TRP HD1 H 1 7.391 0.006 A 23 TRP HE1 H 1 10.383 0.007 A 23 TRP HE3 H 1 7.591 0.05 A 23 TRP HH2 H 1 7.406 0.017 A 23 TRP HZ2 H 1 7.801 0.006 A 23 TRP HZ3 H 1 7.178 0.009 A 23 TRP C C 13 176.668 0.013 A 23 TRP CB C 13 28.543 0.2 A 23 TRP CD1 C 13 126.705 0.030 A 23 TRP CE3 C 13 120.788 0.2 A 23 TRP CH2 C 13 124.666 0.2 A 23 TRP CZ2 C 13 115.487 0.016 A 23 TRP CZ3 C 13 122.310 0.020 A 23 TRP N N 15 119.440 0.113 A 23 TRP NE1 N 15 125.229 0.013 A 24 GLU H H 1 8.261 0.007 A 24 GLU HA H 1 4.265 0.015 A 24 GLU HBx H 1 2.237 0.05 A 24 GLU HBy H 1 2.398 0.262 A 24 GLU HGx H 1 2.285 0.006 A 24 GLU HGy H 1 2.437 0.05 A 24 GLU C C 13 179.679 0.012 A 24 GLU CA C 13 59.706 0.2 A 24 GLU CB C 13 29.720 0.2 A 24 GLU CG C 13 36.557 0.2 A 24 GLU N N 15 121.376 0.017 A 25 ILE H H 1 8.071 0.006 A 25 ILE HA H 1 3.815 0.015 A 25 ILE HB H 1 1.911 0.007 A 25 ILE HD1% H 1 0.830 0.013 A 25 ILE HG1x H 1 1.205 0.05 A 25 ILE HG1y H 1 1.607 0.05 A 25 ILE HG2% H 1 0.811 0.006 A 25 ILE C C 13 176.343 0.2 A 25 ILE CA C 13 64.464 0.047 A 25 ILE CB C 13 37.371 0.039 A 25 ILE CD1 C 13 13.358 0.072 A 25 ILE CG2 C 13 17.264 0.2 A 25 ILE N N 15 121.499 0.030 A 26 GLN H H 1 7.327 0.005 A 26 GLN HA H 1 4.074 0.010 A 26 GLN HB2 H 1 1.868 0.008 A 26 GLN HB3 H 1 1.868 0.019 A 26 GLN HE21 H 1 6.176 0.05 A 26 GLN HE22 H 1 5.738 0.05 A 26 GLN HGx H 1 1.335 0.002 A 26 GLN HGy H 1 1.524 0.05 A 26 GLN C C 13 174.906 0.007 A 26 GLN CA C 13 55.450 0.031 A 26 GLN CB C 13 28.458 0.014 A 26 GLN CG C 13 32.698 0.2 A 26 GLN N N 15 116.532 0.012 A 26 GLN NE2 N 15 112.608 0.004 A 27 GLY H H 1 7.861 0.010 A 27 GLY HAy H 1 4.297 0.05 A 27 GLY HAx H 1 3.823 0.05 A 27 GLY C C 13 172.698 0.005 A 27 GLY CA C 13 45.608 0.054 A 27 GLY N N 15 106.837 0.009 A 28 SER H H 1 8.083 0.003 A 28 SER HA H 1 4.777 0.003 A 28 SER HBx H 1 3.774 0.007 A 28 SER HBy H 1 3.865 0.05 A 28 SER C C 13 171.196 0.2 A 28 SER CA C 13 56.041 0.073 A 28 SER CB C 13 64.539 0.093 A 28 SER N N 15 116.151 0.036 A 29 SER H H 1 8.354 0.002 A 29 SER HA H 1 4.389 0.018 A 29 SER HBx H 1 3.719 0.005 A 29 SER HBy H 1 3.836 0.016 A 29 SER C C 13 172.166 0.2 A 29 SER CA C 13 58.107 0.039 A 29 SER CB C 13 63.853 0.084 A 29 SER N N 15 116.596 0.020 A 30 LEU H H 1 8.990 0.007 A 30 LEU HA H 1 3.964 0.014 A 30 LEU HBx H 1 1.343 0.001 A 30 LEU HBy H 1 1.962 0.003 A 30 LEU HDx% H 1 0.893 0.008 A 30 LEU HDy% H 1 0.697 0.010 A 30 LEU HG H 1 1.309 0.05 A 30 LEU C C 13 173.752 0.2 A 30 LEU CA C 13 55.193 0.112 A 30 LEU CB C 13 42.869 0.047 A 30 LEU CDy C 13 26.679 0.056 A 30 LEU CDx C 13 23.947 0.048 A 30 LEU N N 15 125.860 0.017 A 31 LYS H H 1 8.118 0.006 A 31 LYS HA H 1 4.498 0.009 A 31 LYS HB2 H 1 1.597 0.004 A 31 LYS HB3 H 1 1.597 0.004 A 31 LYS HD2 H 1 1.615 0.05 A 31 LYS HD3 H 1 1.615 0.05 A 31 LYS HE2 H 1 2.926 0.05 A 31 LYS HE3 H 1 2.926 0.05 A 31 LYS HG2 H 1 1.273 0.004 A 31 LYS HG3 H 1 1.273 0.004 A 31 LYS C C 13 173.555 0.2 A 31 LYS CA C 13 54.372 0.094 A 31 LYS CB C 13 32.814 0.024 A 31 LYS CD C 13 28.988 0.042 A 31 LYS CE C 13 42.248 0.2 A 31 LYS N N 15 129.965 0.036 A 32 ILE H H 1 8.717 0.004 A 32 ILE HA H 1 4.011 0.003 A 32 ILE HB H 1 1.833 0.014 A 32 ILE HD1% H 1 1.018 0.004 A 32 ILE HG12 H 1 1.764 0.018 A 32 ILE HG13 H 1 1.764 0.018 A 32 ILE HG2% H 1 1.196 0.007 A 32 ILE C C 13 173.038 0.2 A 32 ILE CA C 13 59.921 0.2 A 32 ILE CB C 13 38.139 0.011 A 32 ILE CD1 C 13 13.168 0.2 A 32 ILE CG2 C 13 18.921 0.012 A 32 ILE N N 15 127.091 0.024 A 33 PRO HA H 1 4.412 0.013 A 33 PRO HBy H 1 1.911 0.003 A 33 PRO HBx H 1 1.369 0.055 A 33 PRO HD2 H 1 3.289 0.015 A 33 PRO HD3 H 1 3.289 0.015 A 33 PRO HG2 H 1 1.076 0.013 A 33 PRO HG3 H 1 1.076 0.013 A 33 PRO C C 13 172.724 0.2 A 33 PRO CA C 13 62.565 0.081 A 33 PRO CB C 13 32.728 0.064 A 33 PRO CD C 13 50.588 0.074 A 34 ASN H H 1 8.265 0.015 A 34 ASN HA H 1 5.147 0.015 A 34 ASN HBx H 1 2.262 0.012 A 34 ASN HBy H 1 2.554 0.012 A 34 ASN HD21 H 1 7.226 0.05 A 34 ASN HD22 H 1 6.571 0.05 A 34 ASN C C 13 174.079 0.2 A 34 ASN CA C 13 52.088 0.029 A 34 ASN CB C 13 40.387 0.044 A 34 ASN N N 15 116.424 0.063 A 34 ASN ND2 N 15 111.092 0.003 A 35 VAL H H 1 8.904 0.009 A 35 VAL HA H 1 4.159 0.025 A 35 VAL HB H 1 2.034 0.006 A 35 VAL HG1% H 1 0.603 0.110 A 35 VAL HG2% H 1 0.603 0.110 A 35 VAL C C 13 173.834 0.2 A 35 VAL CA C 13 61.953 0.043 A 35 VAL CB C 13 34.432 0.038 A 35 VAL CG1 C 13 21.679 0.004 A 35 VAL CG2 C 13 21.679 0.004 A 35 VAL N N 15 122.778 0.045 A 36 GLU H H 1 9.560 0.003 A 36 GLU HA H 1 3.819 0.015 A 36 GLU HBx H 1 2.139 0.009 A 36 GLU HBy H 1 2.514 0.010 A 36 GLU HGx H 1 2.168 0.006 A 36 GLU HGy H 1 2.370 0.013 A 36 GLU C C 13 173.604 0.2 A 36 GLU CA C 13 57.131 0.008 A 36 GLU CB C 13 27.464 0.066 A 36 GLU CG C 13 36.961 0.110 A 36 GLU N N 15 127.014 0.004 A 37 ARG H H 1 8.578 0.007 A 37 ARG HA H 1 3.792 0.006 A 37 ARG HB2 H 1 1.826 0.05 A 37 ARG HB3 H 1 1.826 0.05 A 37 ARG HD2 H 1 3.231 0.007 A 37 ARG HD3 H 1 3.231 0.007 A 37 ARG HG2 H 1 1.577 0.05 A 37 ARG HG3 H 1 1.577 0.05 A 37 ARG C C 13 173.371 0.2 A 37 ARG CA C 13 57.952 0.050 A 37 ARG CB C 13 27.657 0.2 A 37 ARG CD C 13 43.234 0.128 A 37 ARG N N 15 108.362 0.065 A 38 ARG H H 1 7.696 0.006 A 38 ARG HA H 1 4.743 0.012 A 38 ARG HB2 H 1 1.927 0.003 A 38 ARG HB3 H 1 1.927 0.003 A 38 ARG HD2 H 1 3.224 0.011 A 38 ARG HD3 H 1 3.224 0.011 A 38 ARG HG2 H 1 1.740 0.023 A 38 ARG HG3 H 1 1.740 0.023 A 38 ARG C C 13 173.513 0.2 A 38 ARG CA C 13 54.507 0.2 A 38 ARG CB C 13 33.751 0.004 A 38 ARG CD C 13 44.067 0.011 A 38 ARG N N 15 118.370 0.084 A 39 ILE H H 1 8.463 0.002 A 39 ILE HA H 1 4.184 0.019 A 39 ILE HB H 1 1.769 0.005 A 39 ILE HD1% H 1 0.882 0.008 A 39 ILE HG1y H 1 1.546 0.005 A 39 ILE HG1x H 1 1.296 0.015 A 39 ILE HG2% H 1 0.890 0.019 A 39 ILE C C 13 175.150 0.2 A 39 ILE CA C 13 62.076 0.124 A 39 ILE CB C 13 38.864 0.017 A 39 ILE CD1 C 13 13.663 0.040 A 39 ILE CG2 C 13 17.501 0.2 A 39 ILE N N 15 123.604 0.012 A 40 LEU H H 1 8.239 0.003 A 40 LEU HA H 1 4.259 0.006 A 40 LEU HBx H 1 1.152 0.002 A 40 LEU HBy H 1 1.781 0.05 A 40 LEU HD1% H 1 0.744 0.014 A 40 LEU HD2% H 1 0.744 0.014 A 40 LEU HG H 1 1.037 0.002 A 40 LEU C C 13 173.152 0.2 A 40 LEU CA C 13 55.305 0.2 A 40 LEU CB C 13 43.113 0.050 A 40 LEU CD1 C 13 26.594 0.054 A 40 LEU CD2 C 13 26.594 0.054 A 40 LEU N N 15 129.550 0.017 A 41 ASP H H 1 8.992 0.005 A 41 ASP HA H 1 4.798 0.012 A 41 ASP HBx H 1 2.761 0.012 A 41 ASP HBy H 1 3.212 0.004 A 41 ASP C C 13 173.837 0.2 A 41 ASP CA C 13 52.077 0.047 A 41 ASP CB C 13 39.454 0.2 A 41 ASP N N 15 127.022 0.009 A 42 LEU H H 1 7.912 0.006 A 42 LEU HA H 1 3.970 0.015 A 42 LEU HBx H 1 1.650 0.011 A 42 LEU HBy H 1 1.965 0.009 A 42 LEU HD1% H 1 0.894 0.024 A 42 LEU HD2% H 1 0.894 0.024 A 42 LEU HG H 1 1.072 0.008 A 42 LEU C C 13 176.305 0.2 A 42 LEU CA C 13 58.128 0.2 A 42 LEU CB C 13 43.043 0.2 A 42 LEU CG C 13 26.980 0.2 A 42 LEU N N 15 125.064 0.018 A 43 TYR H H 1 8.565 0.010 A 43 TYR HA H 1 3.728 0.010 A 43 TYR HB2 H 1 3.099 0.013 A 43 TYR HB3 H 1 3.099 0.013 A 43 TYR HDx H 1 6.822 0.022 A 43 TYR HDy H 1 6.822 0.022 A 43 TYR HEx H 1 6.690 0.05 A 43 TYR HEy H 1 6.690 0.05 A 43 TYR C C 13 175.757 0.2 A 43 TYR CA C 13 61.774 0.172 A 43 TYR CB C 13 38.235 0.050 A 43 TYR CDx C 13 133.065 0.017 A 43 TYR CDy C 13 133.065 0.017 A 43 TYR N N 15 117.822 0.032 A 44 SER H H 1 8.115 0.008 A 44 SER HA H 1 3.854 0.05 A 44 SER HB2 H 1 3.692 0.010 A 44 SER HB3 H 1 3.692 0.010 A 44 SER C C 13 174.080 0.2 A 44 SER CA C 13 61.873 0.2 A 44 SER CB C 13 64.350 0.2 A 44 SER N N 15 116.835 0.022 A 45 LEU H H 1 8.401 0.006 A 45 LEU HA H 1 4.102 0.005 A 45 LEU HBx H 1 1.648 0.017 A 45 LEU HBy H 1 2.324 0.014 A 45 LEU HD1% H 1 1.185 0.021 A 45 LEU HD2% H 1 1.185 0.021 A 45 LEU HG H 1 1.926 0.013 A 45 LEU C C 13 175.081 0.2 A 45 LEU CA C 13 58.896 0.043 A 45 LEU CB C 13 41.741 0.087 A 45 LEU CD1 C 13 24.012 0.001 A 45 LEU CD2 C 13 24.012 0.001 A 45 LEU N N 15 120.621 0.136 A 46 SER H H 1 8.110 0.007 A 46 SER HA H 1 4.300 0.05 A 46 SER HB2 H 1 4.135 0.004 A 46 SER HB3 H 1 4.135 0.004 A 46 SER C C 13 175.019 0.2 A 46 SER CA C 13 62.610 0.2 A 46 SER CB C 13 64.092 0.2 A 46 SER N N 15 112.826 0.052 A 47 LYS H H 1 7.732 0.005 A 47 LYS HA H 1 3.900 0.020 A 47 LYS HBx H 1 1.479 0.006 A 47 LYS HBy H 1 1.657 0.005 A 47 LYS HD2 H 1 1.466 0.009 A 47 LYS HD3 H 1 1.466 0.009 A 47 LYS HEx H 1 2.790 0.05 A 47 LYS HEy H 1 2.923 0.010 A 47 LYS HG2 H 1 1.095 0.012 A 47 LYS HG3 H 1 1.095 0.012 A 47 LYS C C 13 177.441 0.2 A 47 LYS CA C 13 58.575 0.008 A 47 LYS CB C 13 32.351 0.052 A 47 LYS CE C 13 41.880 0.2 A 47 LYS N N 15 121.210 0.036 A 48 ILE H H 1 8.672 0.009 A 48 ILE HA H 1 3.628 0.020 A 48 ILE HB H 1 1.937 0.014 A 48 ILE HD1% H 1 0.750 0.014 A 48 ILE HG1x H 1 1.148 0.05 A 48 ILE HG1y H 1 1.591 0.009 A 48 ILE HG2% H 1 0.916 0.016 A 48 ILE C C 13 175.861 0.2 A 48 ILE CA C 13 64.188 0.081 A 48 ILE CB C 13 37.954 0.2 A 48 ILE CD1 C 13 13.091 0.112 A 48 ILE CG2 C 13 19.787 0.074 A 48 ILE N N 15 120.810 0.033 A 49 VAL H H 1 8.030 0.008 A 49 VAL HA H 1 3.195 0.014 A 49 VAL HB H 1 2.101 0.009 A 49 VAL HGx% H 1 0.575 0.016 A 49 VAL HGy% H 1 0.715 0.012 A 49 VAL C C 13 176.513 0.2 A 49 VAL CA C 13 66.760 0.084 A 49 VAL CB C 13 30.935 0.2 A 49 VAL CGx C 13 19.973 0.020 A 49 VAL CGy C 13 24.500 0.024 A 49 VAL N N 15 119.350 0.066 A 50 VAL H H 1 7.336 0.019 A 50 VAL HA H 1 3.497 0.005 A 50 VAL HB H 1 2.216 0.006 A 50 VAL HGx% H 1 1.205 0.05 A 50 VAL HGy% H 1 0.981 0.009 A 50 VAL C C 13 178.745 0.008 A 50 VAL CA C 13 67.384 0.036 A 50 VAL CB C 13 31.832 0.087 A 50 VAL N N 15 118.610 0.107 A 51 GLU H H 1 8.318 0.011 A 51 GLU HA H 1 3.953 0.019 A 51 GLU HB2 H 1 2.114 0.012 A 51 GLU HB3 H 1 2.114 0.012 A 51 GLU HG2 H 1 2.575 0.012 A 51 GLU HG3 H 1 2.575 0.012 A 51 GLU C C 13 177.281 0.2 A 51 GLU CA C 13 59.668 0.2 A 51 GLU CB C 13 30.131 0.2 A 51 GLU CG C 13 37.231 0.018 A 51 GLU N N 15 122.096 0.020 A 52 GLU H H 1 8.065 0.006 A 52 GLU HA H 1 4.229 0.012 A 52 GLU HB2 H 1 2.096 0.011 A 52 GLU HB3 H 1 2.096 0.014 A 52 GLU HGx H 1 1.766 0.006 A 52 GLU HGy H 1 2.352 0.05 A 52 GLU C C 13 173.534 0.2 A 52 GLU CA C 13 55.547 0.053 A 52 GLU CB C 13 28.716 0.2 A 52 GLU CG C 13 36.148 0.103 A 52 GLU N N 15 114.992 0.055 A 53 GLY H H 1 7.459 0.012 A 53 GLY HA2 H 1 3.630 0.05 A 53 GLY HA3 H 1 3.630 0.021 A 53 GLY C C 13 173.214 0.2 A 53 GLY CA C 13 44.962 0.045 A 53 GLY N N 15 104.909 0.012 A 54 GLY H H 1 8.533 0.005 A 54 GLY HAx H 1 3.548 0.05 A 54 GLY HAy H 1 4.521 0.012 A 54 GLY C C 13 169.966 0.2 A 54 GLY CA C 13 43.988 0.079 A 54 GLY N N 15 110.587 0.013 A 55 TYR H H 1 8.704 0.014 A 55 TYR HA H 1 3.618 0.013 A 55 TYR HB2 H 1 3.188 0.016 A 55 TYR HB3 H 1 3.188 0.014 A 55 TYR HDx H 1 7.001 0.026 A 55 TYR HDy H 1 7.001 0.026 A 55 TYR HEx H 1 6.827 0.006 A 55 TYR HEy H 1 6.827 0.006 A 55 TYR C C 13 174.807 0.2 A 55 TYR CA C 13 62.540 0.100 A 55 TYR CB C 13 39.669 0.014 A 55 TYR CDx C 13 131.910 0.2 A 55 TYR CDy C 13 131.910 0.2 A 55 TYR N N 15 119.168 0.013 A 56 GLU H H 1 9.006 0.004 A 56 GLU HA H 1 3.638 0.014 A 56 GLU HB2 H 1 2.091 0.021 A 56 GLU HB3 H 1 2.091 0.021 A 56 GLU HG2 H 1 2.499 0.010 A 56 GLU HG3 H 1 2.499 0.010 A 56 GLU C C 13 177.400 0.2 A 56 GLU CA C 13 60.530 0.023 A 56 GLU CB C 13 29.168 0.138 A 56 GLU N N 15 118.969 0.077 A 57 ALA H H 1 8.235 0.008 A 57 ALA HA H 1 3.980 0.020 A 57 ALA HB% H 1 1.304 0.023 A 57 ALA C C 13 177.678 0.2 A 57 ALA CA C 13 54.910 0.146 A 57 ALA CB C 13 18.122 0.019 A 57 ALA N N 15 122.860 0.060 A 58 ILE H H 1 7.831 0.011 A 58 ILE HA H 1 3.189 0.014 A 58 ILE HB H 1 0.845 0.013 A 58 ILE HD1% H 1 0.135 0.009 A 58 ILE HG12 H 1 1.410 0.05 A 58 ILE HG13 H 1 1.410 0.05 A 58 ILE HG2% H 1 -0.974 0.013 A 58 ILE C C 13 177.818 0.2 A 58 ILE CA C 13 65.074 0.070 A 58 ILE CB C 13 38.178 0.069 A 58 ILE CD1 C 13 16.241 0.016 A 58 ILE CG1 C 13 28.544 0.2 A 58 ILE CG2 C 13 14.897 0.008 A 58 ILE N N 15 117.418 0.042 A 59 CYS H H 1 7.760 0.013 A 59 CYS HA H 1 4.203 0.034 A 59 CYS HB2 H 1 2.943 0.024 A 59 CYS HB3 H 1 2.943 0.024 A 59 CYS C C 13 176.357 0.2 A 59 CYS CA C 13 63.760 0.024 A 59 CYS CB C 13 27.638 0.112 A 59 CYS N N 15 115.302 0.027 A 60 LYS H H 1 8.350 0.014 A 60 LYS HA H 1 3.972 0.011 A 60 LYS HB2 H 1 1.867 0.017 A 60 LYS HB3 H 1 1.867 0.017 A 60 LYS HD2 H 1 1.677 0.05 A 60 LYS HD3 H 1 1.677 0.05 A 60 LYS HE2 H 1 2.960 0.012 A 60 LYS HE3 H 1 2.960 0.012 A 60 LYS HG2 H 1 1.462 0.05 A 60 LYS HG3 H 1 1.462 0.05 A 60 LYS C C 13 176.373 0.2 A 60 LYS CA C 13 59.796 0.129 A 60 LYS CB C 13 32.560 0.110 A 60 LYS CE C 13 41.919 0.2 A 60 LYS N N 15 122.343 0.071 A 61 ASP H H 1 8.157 0.016 A 61 ASP HA H 1 4.616 0.008 A 61 ASP HBx H 1 2.477 0.011 A 61 ASP HBy H 1 2.735 0.017 A 61 ASP C C 13 173.246 0.2 A 61 ASP CA C 13 54.272 0.2 A 61 ASP CB C 13 41.023 0.039 A 61 ASP N N 15 116.173 0.047 A 62 ARG H H 1 7.655 0.007 A 62 ARG HA H 1 4.149 0.010 A 62 ARG HBx H 1 1.966 0.007 A 62 ARG HBy H 1 2.219 0.013 A 62 ARG HD2 H 1 3.293 0.020 A 62 ARG HD3 H 1 3.293 0.020 A 62 ARG HG2 H 1 1.698 0.05 A 62 ARG HG3 H 1 1.698 0.05 A 62 ARG C C 13 175.891 0.2 A 62 ARG CA C 13 57.381 0.2 A 62 ARG CB C 13 26.538 0.053 A 62 ARG CD C 13 43.812 0.072 A 62 ARG N N 15 117.213 0.014 A 63 ARG H H 1 8.302 0.013 A 63 ARG HA H 1 4.240 0.019 A 63 ARG HB2 H 1 2.069 0.007 A 63 ARG HB3 H 1 2.069 0.007 A 63 ARG HD2 H 1 2.295 0.013 A 63 ARG HD3 H 1 2.295 0.013 A 63 ARG C C 13 175.775 0.2 A 63 ARG CA C 13 55.718 0.007 A 63 ARG CD C 13 36.359 0.2 A 63 ARG N N 15 116.292 0.068 A 64 TRP H H 1 8.161 0.013 A 64 TRP HA H 1 3.836 0.010 A 64 TRP HB2 H 1 3.184 0.023 A 64 TRP HB3 H 1 3.184 0.004 A 64 TRP HD1 H 1 7.450 0.004 A 64 TRP HE1 H 1 9.446 0.002 A 64 TRP HE3 H 1 7.411 0.013 A 64 TRP HH2 H 1 6.603 0.010 A 64 TRP HZ2 H 1 7.276 0.013 A 64 TRP HZ3 H 1 6.647 0.003 A 64 TRP C C 13 176.862 0.2 A 64 TRP CA C 13 62.036 0.016 A 64 TRP CB C 13 27.028 0.126 A 64 TRP CD1 C 13 125.767 0.021 A 64 TRP CE3 C 13 120.260 0.059 A 64 TRP CH2 C 13 123.638 0.012 A 64 TRP CZ2 C 13 113.354 0.042 A 64 TRP CZ3 C 13 121.140 0.011 A 64 TRP N N 15 121.486 0.154 A 64 TRP NE1 N 15 128.839 0.018 A 65 ALA H H 1 8.954 0.008 A 65 ALA HA H 1 4.290 0.05 A 65 ALA HB% H 1 1.532 0.016 A 65 ALA C C 13 178.986 0.2 A 65 ALA CA C 13 55.314 0.2 A 65 ALA CB C 13 18.119 0.069 A 65 ALA N N 15 121.559 0.020 A 66 ARG H H 1 7.473 0.010 A 66 ARG HA H 1 4.221 0.011 A 66 ARG HB2 H 1 2.012 0.047 A 66 ARG HB3 H 1 2.012 0.047 A 66 ARG HDx H 1 3.091 0.05 A 66 ARG HDy H 1 3.363 0.05 A 66 ARG HG2 H 1 1.737 0.05 A 66 ARG HG3 H 1 1.737 0.05 A 66 ARG C C 13 176.670 0.2 A 66 ARG CA C 13 57.871 0.078 A 66 ARG CB C 13 29.097 0.127 A 66 ARG N N 15 119.915 0.060 A 67 VAL H H 1 7.134 0.005 A 67 VAL HA H 1 3.304 0.015 A 67 VAL HB H 1 2.570 0.020 A 67 VAL HGx% H 1 0.536 0.011 A 67 VAL HGy% H 1 0.968 0.020 A 67 VAL C C 13 175.341 0.2 A 67 VAL CA C 13 66.722 0.094 A 67 VAL CB C 13 31.108 0.037 A 67 VAL CGy C 13 22.222 0.085 A 67 VAL CGx C 13 21.086 0.044 A 67 VAL N N 15 119.970 0.013 A 68 ALA H H 1 7.745 0.004 A 68 ALA HA H 1 4.076 0.025 A 68 ALA HB% H 1 1.446 0.010 A 68 ALA C C 13 177.358 0.2 A 68 ALA CA C 13 55.607 0.061 A 68 ALA CB C 13 18.061 0.025 A 68 ALA N N 15 118.239 0.019 A 69 GLN H H 1 7.979 0.004 A 69 GLN HA H 1 4.310 0.031 A 69 GLN HB2 H 1 2.293 0.05 A 69 GLN HB3 H 1 2.293 0.05 A 69 GLN HE21 H 1 7.540 0.05 A 69 GLN HE22 H 1 6.860 0.05 A 69 GLN HG2 H 1 2.577 0.015 A 69 GLN HG3 H 1 2.577 0.007 A 69 GLN C C 13 179.370 0.2 A 69 GLN CA C 13 59.307 0.005 A 69 GLN CB C 13 29.257 0.2 A 69 GLN CG C 13 34.035 0.051 A 69 GLN N N 15 118.484 0.033 A 69 GLN NE2 N 15 112.624 0.006 A 70 ARG H H 1 8.374 0.010 A 70 ARG HA H 1 4.148 0.05 A 70 ARG HB2 H 1 1.989 0.010 A 70 ARG HB3 H 1 1.989 0.010 A 70 ARG HDx H 1 2.963 0.005 A 70 ARG HDy H 1 3.232 0.011 A 70 ARG HG2 H 1 1.644 0.007 A 70 ARG HG3 H 1 1.644 0.007 A 70 ARG C C 13 175.850 0.2 A 70 ARG CA C 13 58.957 0.2 A 70 ARG CB C 13 29.799 0.012 A 70 ARG CD C 13 43.019 0.113 A 70 ARG N N 15 120.309 0.031 A 71 LEU H H 1 7.413 0.008 A 71 LEU HA H 1 4.341 0.05 A 71 LEU HB2 H 1 1.893 0.009 A 71 LEU HB3 H 1 1.893 0.009 A 71 LEU HDx% H 1 1.059 0.011 A 71 LEU HDy% H 1 0.916 0.013 A 71 LEU HG H 1 1.769 0.05 A 71 LEU C C 13 173.391 0.2 A 71 LEU CA C 13 54.911 0.2 A 71 LEU CB C 13 42.693 0.002 A 71 LEU N N 15 118.841 0.036 A 72 ASN H H 1 8.038 0.005 A 72 ASN HA H 1 4.394 0.003 A 72 ASN HBx H 1 2.779 0.003 A 72 ASN HBy H 1 3.024 0.004 A 72 ASN HD21 H 1 6.710 0.003 A 72 ASN HD22 H 1 6.710 0.003 A 72 ASN C C 13 173.042 0.2 A 72 ASN CB C 13 36.412 0.048 A 72 ASN N N 15 112.919 0.022 A 72 ASN ND2 N 15 111.533 0.031 A 73 TYR H H 1 7.874 0.005 A 73 TYR HA H 1 4.868 0.006 A 73 TYR HBx H 1 2.573 0.009 A 73 TYR HBy H 1 3.053 0.019 A 73 TYR HDx H 1 7.185 0.002 A 73 TYR HDy H 1 7.185 0.002 A 73 TYR HEx H 1 6.793 0.017 A 73 TYR HEy H 1 6.793 0.017 A 73 TYR C C 13 172.194 0.2 A 73 TYR CA C 13 57.105 0.037 A 73 TYR CB C 13 37.918 0.006 A 73 TYR N N 15 117.432 0.032 A 74 PRO HB2 H 1 2.440 0.05 A 74 PRO HB3 H 1 2.440 0.05 A 74 PRO HD2 H 1 4.081 0.006 A 74 PRO HD3 H 1 4.081 0.006 A 74 PRO HG2 H 1 2.155 0.013 A 74 PRO HG3 H 1 2.155 0.013 A 74 PRO CD C 13 50.645 0.020 A 75 PRO HA H 1 4.626 0.005 A 75 PRO HBx H 1 2.074 0.002 A 75 PRO HBy H 1 2.258 0.05 A 75 PRO HD2 H 1 3.748 0.014 A 75 PRO HD3 H 1 3.748 0.014 A 75 PRO C C 13 175.728 0.2 A 75 PRO CA C 13 62.502 0.064 A 75 PRO CB C 13 32.339 0.2 A 76 GLY H H 1 8.369 0.003 A 76 GLY HAx H 1 4.057 0.05 A 76 GLY HAy H 1 4.556 0.05 A 76 GLY C C 13 173.248 0.2 A 76 GLY CA C 13 46.180 0.016 A 76 GLY N N 15 106.185 0.046 A 77 LYS H H 1 8.632 0.014 A 77 LYS HA H 1 4.433 0.05 A 77 LYS HBx H 1 1.574 0.05 A 77 LYS HBy H 1 2.002 0.05 A 77 LYS HD2 H 1 1.666 0.008 A 77 LYS HD3 H 1 1.666 0.008 A 77 LYS HE2 H 1 2.999 0.001 A 77 LYS HE3 H 1 2.999 0.001 A 77 LYS HG2 H 1 1.441 0.05 A 77 LYS HG3 H 1 1.441 0.05 A 77 LYS C C 13 174.924 0.2 A 77 LYS CA C 13 56.453 0.2 A 77 LYS CB C 13 33.170 0.2 A 77 LYS CE C 13 42.044 0.020 A 77 LYS N N 15 119.592 0.014 A 78 ASN H H 1 8.865 0.004 A 78 ASN HA H 1 4.654 0.008 A 78 ASN HBx H 1 2.739 0.002 A 78 ASN HBy H 1 3.078 0.006 A 78 ASN HD21 H 1 7.626 0.05 A 78 ASN HD22 H 1 6.959 0.05 A 78 ASN C C 13 174.869 0.2 A 78 ASN CA C 13 54.117 0.119 A 78 ASN CB C 13 37.841 0.018 A 78 ASN N N 15 116.880 0.014 A 78 ASN ND2 N 15 113.200 0.004 A 79 ILE H H 1 8.008 0.006 A 79 ILE HA H 1 3.718 0.009 A 79 ILE HB H 1 1.764 0.012 A 79 ILE HD1% H 1 0.786 0.006 A 79 ILE HG12 H 1 1.425 0.013 A 79 ILE HG13 H 1 1.425 0.05 A 79 ILE HG2% H 1 0.530 0.010 A 79 ILE C C 13 175.921 0.2 A 79 ILE CA C 13 63.618 0.025 A 79 ILE CB C 13 37.158 0.020 A 79 ILE CG2 C 13 17.980 0.015 A 79 ILE N N 15 119.688 0.025 A 80 GLY H H 1 9.062 0.005 A 80 GLY HA2 H 1 3.739 0.013 A 80 GLY HA3 H 1 3.739 0.070 A 80 GLY C C 13 173.185 0.2 A 80 GLY CA C 13 48.166 0.102 A 80 GLY N N 15 110.338 0.052 A 81 SER H H 1 7.460 0.010 A 81 SER HA H 1 3.904 0.016 A 81 SER HB2 H 1 3.815 0.019 A 81 SER HB3 H 1 3.815 0.019 A 81 SER C C 13 174.999 0.2 A 81 SER CA C 13 61.138 0.036 A 81 SER CB C 13 62.740 0.120 A 81 SER N N 15 115.348 0.011 A 82 LEU H H 1 7.367 0.007 A 82 LEU HA H 1 3.946 0.012 A 82 LEU HBx H 1 1.611 0.005 A 82 LEU HBy H 1 1.797 0.008 A 82 LEU HD1% H 1 0.878 0.018 A 82 LEU HD2% H 1 0.878 0.018 A 82 LEU C C 13 176.969 0.2 A 82 LEU CA C 13 57.504 0.019 A 82 LEU CB C 13 42.185 0.042 A 82 LEU N N 15 124.267 0.017 A 83 LEU H H 1 8.330 0.005 A 83 LEU HA H 1 3.924 0.022 A 83 LEU HBx H 1 1.413 0.017 A 83 LEU HBy H 1 2.196 0.021 A 83 LEU HDx% H 1 1.008 0.05 A 83 LEU HDy% H 1 0.869 0.016 A 83 LEU C C 13 176.303 0.2 A 83 LEU CA C 13 58.067 0.087 A 83 LEU CB C 13 41.061 0.029 A 83 LEU N N 15 117.452 0.024 A 84 ARG H H 1 7.651 0.006 A 84 ARG HA H 1 2.230 0.017 A 84 ARG HB2 H 1 1.209 0.033 A 84 ARG HB3 H 1 1.209 0.033 A 84 ARG HD2 H 1 2.700 0.009 A 84 ARG HD3 H 1 2.700 0.009 A 84 ARG HGx H 1 0.743 0.002 A 84 ARG HGy H 1 1.083 0.015 A 84 ARG C C 13 175.902 0.2 A 84 ARG CA C 13 59.112 0.065 A 84 ARG CB C 13 28.579 0.135 A 84 ARG CD C 13 43.838 0.2 A 84 ARG N N 15 119.586 0.020 A 85 SER H H 1 7.291 0.010 A 85 SER HA H 1 4.189 0.010 A 85 SER HB2 H 1 3.757 0.005 A 85 SER HB3 H 1 3.757 0.005 A 85 SER C C 13 175.546 0.2 A 85 SER CA C 13 61.376 0.132 A 85 SER CB C 13 62.805 0.089 A 85 SER N N 15 112.921 0.022 A 86 HIS H H 1 8.156 0.008 A 86 HIS HA H 1 4.782 0.015 A 86 HIS HBx H 1 2.699 0.010 A 86 HIS HBy H 1 2.927 0.009 A 86 HIS HD2 H 1 6.341 0.006 A 86 HIS HE1 H 1 7.733 0.002 A 86 HIS C C 13 176.851 0.2 A 86 HIS CA C 13 58.898 0.081 A 86 HIS CB C 13 31.110 0.050 A 86 HIS CD2 C 13 117.177 0.021 A 86 HIS CE1 C 13 139.302 0.014 A 86 HIS N N 15 119.258 0.057 A 87 TYR H H 1 9.180 0.013 A 87 TYR HA H 1 3.913 0.010 A 87 TYR HB2 H 1 3.480 0.023 A 87 TYR HB3 H 1 3.480 0.010 A 87 TYR HDx H 1 6.943 0.032 A 87 TYR HDy H 1 6.943 0.032 A 87 TYR HEx H 1 6.792 0.018 A 87 TYR HEy H 1 6.792 0.018 A 87 TYR C C 13 176.841 0.2 A 87 TYR CA C 13 63.526 0.101 A 87 TYR CB C 13 39.431 0.005 A 87 TYR CDx C 13 133.665 0.2 A 87 TYR CDy C 13 133.665 0.2 A 87 TYR N N 15 120.625 0.005 A 88 GLU H H 1 9.028 0.007 A 88 GLU HA H 1 3.682 0.004 A 88 GLU HBx H 1 2.053 0.05 A 88 GLU HBy H 1 2.454 0.001 A 88 GLU HGx H 1 2.261 0.05 A 88 GLU HGy H 1 2.652 0.018 A 88 GLU C C 13 175.833 0.2 A 88 GLU CA C 13 59.730 0.148 A 88 GLU CB C 13 30.009 0.2 A 88 GLU CG C 13 37.021 0.202 A 88 GLU N N 15 119.531 0.080 A 89 ARG H H 1 8.052 0.025 A 89 ARG HA H 1 4.292 0.009 A 89 ARG HB2 H 1 1.956 0.001 A 89 ARG HB3 H 1 1.956 0.001 A 89 ARG HD2 H 1 3.175 0.05 A 89 ARG HD3 H 1 3.175 0.05 A 89 ARG HG2 H 1 1.629 0.029 A 89 ARG HG3 H 1 1.629 0.029 A 89 ARG C C 13 176.045 0.2 A 89 ARG CA C 13 58.538 0.017 A 89 ARG CB C 13 31.841 0.018 A 89 ARG CD C 13 43.403 0.2 A 89 ARG N N 15 114.741 0.097 A 90 ILE H H 1 8.141 0.003 A 90 ILE HA H 1 4.296 0.018 A 90 ILE HB H 1 1.862 0.004 A 90 ILE HD1% H 1 0.698 0.009 A 90 ILE HG2% H 1 0.912 0.017 A 90 ILE C C 13 174.461 0.2 A 90 ILE CA C 13 63.649 0.108 A 90 ILE CB C 13 40.626 0.010 A 90 ILE CG2 C 13 18.796 0.014 A 90 ILE N N 15 113.421 0.030 A 91 VAL H H 1 7.350 0.006 A 91 VAL HA H 1 4.144 0.009 A 91 VAL HB H 1 1.459 0.018 A 91 VAL HG1% H 1 1.059 0.023 A 91 VAL HG2% H 1 1.059 0.023 A 91 VAL C C 13 175.422 0.2 A 91 VAL CA C 13 65.042 0.094 A 91 VAL CB C 13 33.215 0.003 A 91 VAL N N 15 118.215 0.007 A 92 TYR H H 1 8.565 0.006 A 92 TYR HA H 1 4.217 0.007 A 92 TYR HB2 H 1 3.214 0.020 A 92 TYR HB3 H 1 3.214 0.020 A 92 TYR HDx H 1 6.982 0.009 A 92 TYR HDy H 1 6.982 0.009 A 92 TYR C C 13 171.495 0.2 A 92 TYR CA C 13 61.558 0.055 A 92 TYR CB C 13 36.757 0.008 A 92 TYR N N 15 121.370 0.038 A 93 PRO HA H 1 4.136 0.020 A 93 PRO HB2 H 1 2.582 0.004 A 93 PRO HB3 H 1 2.582 0.05 A 93 PRO HGx H 1 0.952 0.05 A 93 PRO HGy H 1 1.102 0.05 A 93 PRO C C 13 177.077 0.2 A 93 PRO CA C 13 66.037 0.119 A 93 PRO CB C 13 31.482 0.2 A 94 TYR H H 1 6.517 0.004 A 94 TYR HA H 1 2.798 0.005 A 94 TYR HBx H 1 2.359 0.005 A 94 TYR HBy H 1 3.016 0.004 A 94 TYR HDx H 1 6.560 0.038 A 94 TYR HDy H 1 6.560 0.038 A 94 TYR HEx H 1 6.869 0.002 A 94 TYR HEy H 1 6.869 0.002 A 94 TYR C C 13 174.985 0.2 A 94 TYR CA C 13 59.356 0.095 A 94 TYR CB C 13 37.987 0.161 A 94 TYR CDx C 13 132.817 0.040 A 94 TYR CDy C 13 132.817 0.040 A 94 TYR N N 15 115.987 0.018 A 95 GLU H H 1 8.205 0.006 A 95 GLU HA H 1 3.682 0.004 A 95 GLU HBx H 1 1.967 0.012 A 95 GLU HBy H 1 2.108 0.009 A 95 GLU HGx H 1 2.367 0.010 A 95 GLU HGy H 1 2.500 0.006 A 95 GLU C C 13 178.530 0.2 A 95 GLU CA C 13 58.910 0.029 A 95 GLU CB C 13 29.187 0.2 A 95 GLU N N 15 119.946 0.019 A 96 MET H H 1 8.248 0.004 A 96 MET HA H 1 4.172 0.011 A 96 MET HBx H 1 1.713 0.05 A 96 MET HBy H 1 1.801 0.025 A 96 MET HE% H 1 1.856 0.05 A 96 MET C C 13 176.874 0.2 A 96 MET CA C 13 57.159 0.006 A 96 MET CB C 13 31.829 0.2 A 96 MET CE C 13 17.304 0.2 A 96 MET N N 15 117.570 0.011 A 97 TYR H H 1 7.445 0.006 A 97 TYR HA H 1 4.248 0.021 A 97 TYR HBx H 1 2.837 0.05 A 97 TYR HBy H 1 3.103 0.006 A 97 TYR HDx H 1 7.050 0.006 A 97 TYR HDy H 1 7.050 0.006 A 97 TYR HEx H 1 6.880 0.05 A 97 TYR HEy H 1 6.880 0.05 A 97 TYR C C 13 176.476 0.2 A 97 TYR CA C 13 60.470 0.014 A 97 TYR CB C 13 38.612 0.2 A 97 TYR CDx C 13 133.631 0.046 A 97 TYR CDy C 13 133.631 0.046 A 97 TYR N N 15 122.246 0.017 A 98 GLN H H 1 8.087 0.009 A 98 GLN HA H 1 3.793 0.006 A 98 GLN HB2 H 1 1.830 0.003 A 98 GLN HB3 H 1 1.830 0.003 A 98 GLN HE21 H 1 7.813 0.05 A 98 GLN HE22 H 1 6.954 0.05 A 98 GLN HGx H 1 1.875 0.05 A 98 GLN HGy H 1 1.972 0.05 A 98 GLN C C 13 175.549 0.2 A 98 GLN CA C 13 57.365 0.131 A 98 GLN CB C 13 28.901 0.093 A 98 GLN CG C 13 33.829 0.2 A 98 GLN N N 15 118.769 0.041 A 98 GLN NE2 N 15 112.319 0.008 A 99 SER H H 1 7.724 0.007 A 99 SER HA H 1 4.293 0.023 A 99 SER HB2 H 1 3.966 0.05 A 99 SER HB3 H 1 3.966 0.05 A 99 SER C C 13 173.696 0.2 A 99 SER CA C 13 59.566 0.2 A 99 SER CB C 13 63.847 0.2 A 99 SER N N 15 113.257 0.015 A 100 GLY H H 1 7.751 0.005 A 100 GLY HAx H 1 3.813 0.012 A 100 GLY HAy H 1 3.934 0.092 A 100 GLY C C 13 172.643 0.2 A 100 GLY CA C 13 45.570 0.112 A 100 GLY N N 15 109.750 0.005 A 101 ALA H H 1 7.824 0.002 A 101 ALA HA H 1 4.221 0.013 A 101 ALA HB% H 1 1.283 0.005 A 101 ALA C C 13 175.639 0.2 A 101 ALA CA C 13 52.745 0.092 A 101 ALA CB C 13 19.437 0.140 A 101 ALA N N 15 123.241 0.007 A 102 ASN H H 1 8.191 0.008 A 102 ASN HA H 1 4.658 0.021 A 102 ASN HBx H 1 2.679 0.05 A 102 ASN HBy H 1 2.841 0.05 A 102 ASN HD21 H 1 7.590 0.05 A 102 ASN HD22 H 1 6.879 0.05 A 102 ASN C C 13 173.337 0.2 A 102 ASN CA C 13 53.374 0.002 A 102 ASN CB C 13 38.819 0.2 A 102 ASN N N 15 116.572 0.034 A 102 ASN ND2 N 15 112.382 0.013 A 103 LEU H H 1 8.065 0.002 A 103 LEU HA H 1 4.363 0.016 A 103 LEU HB2 H 1 1.642 0.002 A 103 LEU HB3 H 1 1.642 0.002 A 103 LEU HDx% H 1 0.913 0.008 A 103 LEU HDy% H 1 0.867 0.05 A 103 LEU C C 13 175.637 0.2 A 103 LEU CA C 13 55.292 0.056 A 103 LEU CB C 13 42.433 0.080 A 103 LEU N N 15 122.074 0.029 A 104 VAL H H 1 8.055 0.005 A 104 VAL HA H 1 4.131 0.011 A 104 VAL HB H 1 2.116 0.005 A 104 VAL HG1% H 1 0.935 0.014 A 104 VAL HG2% H 1 0.935 0.014 A 104 VAL C C 13 174.364 0.2 A 104 VAL CA C 13 62.552 0.049 A 104 VAL CB C 13 32.766 0.043 A 104 VAL N N 15 120.606 0.106 A 105 CYS H H 1 8.392 0.017 A 105 CYS HA H 1 4.535 0.010 A 105 CYS HB2 H 1 2.913 0.004 A 105 CYS HB3 H 1 2.913 0.004 A 105 CYS C C 13 172.593 0.2 A 105 CYS CA C 13 58.449 0.067 A 105 CYS CB C 13 27.952 0.088 A 105 CYS N N 15 122.791 0.051 A 106 ASN H H 1 8.575 0.014 A 106 ASN HA H 1 4.843 0.002 A 106 ASN HBx H 1 2.786 0.05 A 106 ASN HBy H 1 2.909 0.05 A 106 ASN HD21 H 1 7.592 0.05 A 106 ASN HD22 H 1 6.837 0.05 A 106 ASN C C 13 173.594 0.2 A 106 ASN CA C 13 53.337 0.080 A 106 ASN CB C 13 39.088 0.2 A 106 ASN N N 15 122.001 0.036 A 106 ASN ND2 N 15 112.141 0.022 A 107 THR H H 1 8.090 0.015 A 107 THR HA H 1 4.348 0.017 A 107 THR HB H 1 4.250 0.003 A 107 THR HG2% H 1 1.215 0.005 A 107 THR C C 13 172.516 0.2 A 107 THR CA C 13 61.803 0.081 A 107 THR CB C 13 69.812 0.124 A 107 THR CG2 C 13 21.795 0.2 A 107 THR N N 15 114.374 0.061 A 108 ARG H H 1 8.322 0.001 A 108 ARG HA H 1 4.634 0.015 A 108 ARG HB2 H 1 1.777 0.001 A 108 ARG HB3 H 1 1.777 0.001 A 108 ARG HD2 H 1 3.231 0.05 A 108 ARG HD3 H 1 3.231 0.05 A 108 ARG HG2 H 1 1.667 0.05 A 108 ARG HG3 H 1 1.667 0.05 A 108 ARG C C 13 172.608 0.2 A 108 ARG CA C 13 54.026 0.048 A 108 ARG CB C 13 30.246 0.013 A 108 ARG CD C 13 43.209 0.2 A 108 ARG N N 15 124.017 0.034 A 109 PRO HA H 1 4.354 0.007 A 109 PRO HBx H 1 1.720 0.004 A 109 PRO HBy H 1 2.162 0.006 A 109 PRO HD2 H 1 3.716 0.007 A 109 PRO HD3 H 1 3.716 0.002 A 109 PRO HG2 H 1 1.850 0.006 A 109 PRO HG3 H 1 1.850 0.006 A 109 PRO C C 13 174.978 0.2 A 109 PRO CA C 13 63.396 0.048 A 109 PRO CB C 13 32.046 0.001 A 109 PRO CD C 13 50.514 0.011 A 110 PHE H H 1 8.123 0.002 A 110 PHE HA H 1 4.619 0.005 A 110 PHE HBy H 1 3.180 0.003 A 110 PHE HBx H 1 3.055 0.012 A 110 PHE HDx H 1 7.281 0.001 A 110 PHE HDy H 1 7.281 0.001 A 110 PHE C C 13 173.856 0.2 A 110 PHE CA C 13 57.353 0.2 A 110 PHE CB C 13 39.364 0.081 A 110 PHE CDx C 13 131.458 0.2 A 110 PHE CDy C 13 131.458 0.2 A 110 PHE N N 15 119.265 0.078 A 111 ASP H H 1 8.161 0.004 A 111 ASP HA H 1 4.613 0.007 A 111 ASP HBx H 1 2.575 0.05 A 111 ASP HBy H 1 2.720 0.008 A 111 ASP C C 13 174.114 0.2 A 111 ASP CA C 13 54.350 0.015 A 111 ASP CB C 13 41.413 0.2 A 111 ASP N N 15 121.764 0.056 A 112 ASN H H 1 8.307 0.001 A 112 ASN HA H 1 4.662 0.015 A 112 ASN HBx H 1 2.735 0.05 A 112 ASN HBy H 1 2.885 0.05 A 112 ASN HD21 H 1 7.601 0.05 A 112 ASN HD22 H 1 6.912 0.05 A 112 ASN C C 13 173.595 0.2 A 112 ASN CA C 13 53.486 0.2 A 112 ASN CB C 13 39.225 0.2 A 112 ASN N N 15 119.154 0.022 A 112 ASN ND2 N 15 112.824 0.001 A 113 GLU H H 1 8.404 0.004 A 113 GLU HA H 1 4.264 0.015 A 113 GLU HBx H 1 1.960 0.010 A 113 GLU HBy H 1 2.087 0.019 A 113 GLU HG2 H 1 2.268 0.007 A 113 GLU HG3 H 1 2.268 0.007 A 113 GLU C C 13 174.886 0.2 A 113 GLU CA C 13 56.681 0.080 A 113 GLU CB C 13 30.403 0.2 A 113 GLU CG C 13 36.536 0.2 A 113 GLU N N 15 120.943 0.011 A 114 GLU H H 1 8.388 0.004 A 114 GLU HA H 1 4.262 0.006 A 114 GLU HB2 H 1 2.011 0.05 A 114 GLU HB3 H 1 2.011 0.05 A 114 GLU HG2 H 1 2.271 0.05 A 114 GLU HG3 H 1 2.271 0.05 A 114 GLU C C 13 174.819 0.2 A 114 GLU CA C 13 56.769 0.2 A 114 GLU CB C 13 30.125 0.2 A 114 GLU CG C 13 36.439 0.2 A 114 GLU N N 15 121.869 0.070 A 115 LYS H H 1 8.236 0.005 A 115 LYS HA H 1 4.347 0.005 A 115 LYS HB2 H 1 1.832 0.009 A 115 LYS HB3 H 1 1.832 0.009 A 115 LYS HD2 H 1 1.689 0.008 A 115 LYS HD3 H 1 1.689 0.008 A 115 LYS HE2 H 1 3.011 0.014 A 115 LYS HE3 H 1 3.011 0.014 A 115 LYS HG2 H 1 1.443 0.006 A 115 LYS HG3 H 1 1.443 0.006 A 115 LYS C C 13 174.633 0.2 A 115 LYS CA C 13 56.426 0.101 A 115 LYS CB C 13 33.277 0.045 A 115 LYS CD C 13 28.978 0.2 A 115 LYS CE C 13 41.919 0.2 A 115 LYS CG C 13 24.605 0.2 A 115 LYS N N 15 121.997 0.023 A 116 ASP H H 1 8.386 0.004 A 116 ASP HA H 1 4.600 0.014 A 116 ASP HBx H 1 2.618 0.05 A 116 ASP HBy H 1 2.762 0.05 A 116 ASP C C 13 173.448 0.2 A 116 ASP CA C 13 54.773 0.2 A 116 ASP CB C 13 41.029 0.016 A 116 ASP N N 15 121.057 0.042 A 117 LYS H H 1 7.739 0.008 A 117 LYS HA H 1 4.158 0.006 A 117 LYS HBx H 1 1.727 0.05 A 117 LYS HBy H 1 1.835 0.05 A 117 LYS HD2 H 1 1.688 0.05 A 117 LYS HD3 H 1 1.688 0.05 A 117 LYS HE2 H 1 3.014 0.05 A 117 LYS HE3 H 1 3.014 0.05 A 117 LYS HG2 H 1 1.403 0.05 A 117 LYS HG3 H 1 1.403 0.05 A 117 LYS C C 13 179.650 0.2 A 117 LYS CA C 13 57.706 0.2 A 117 LYS CB C 13 33.232 0.2 A 117 LYS CD C 13 28.978 0.2 A 117 LYS CE C 13 41.919 0.2 A 117 LYS CG C 13 24.605 0.2 A 117 LYS N N 15 125.656 0.015 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 79 ILE HG2% A 74 PRO HD2 1.0 1.8 5.275 2 1 A 74 PRO HD3 A 79 ILE HG2% 1.0 1.8 5.275 3 2 A 79 ILE HG2% A 74 PRO HG2 1.0 1.8 6.335 4 2 A 79 ILE HG2% A 74 PRO HG3 1.0 1.8 6.335 5 3 A 79 ILE HG2% A 68 ALA HB% 1.0 1.8 3.500 6 4 A 12 LYS HA A 43 TYR HDx 1.0 1.8 4.780 7 4 A 12 LYS HA A 43 TYR HDy 1.0 1.8 4.780 8 5 A 12 LYS HA A 15 TYR HB2 1.0 1.8 4.000 9 5 A 12 LYS HA A 15 TYR HB3 1.0 1.8 4.000 10 6 A 12 LYS HA A 43 TYR HB2 1.0 1.8 6.650 11 6 A 12 LYS HA A 43 TYR HB3 1.0 1.8 6.650 12 7 A 11 VAL HA A 14 ASN HB2 1.0 1.8 4.500 13 7 A 11 VAL HA A 14 ASN HB3 1.0 1.8 4.500 14 8 A 64 TRP HE3 A 67 VAL HGy% 1.0 1.8 3.810 15 9 A 64 TRP HA A 67 VAL HGy% 1.0 1.8 3.545 16 10 A 2 MET HB3 A 3 ASN HB2 1.0 1.8 5.400 17 10 A 2 MET HB2 A 3 ASN HB2 1.0 1.8 5.400 18 10 A 3 ASN HB3 A 2 MET HB2 1.0 1.8 5.400 19 10 A 2 MET HB3 A 3 ASN HB3 1.0 1.8 5.400 20 11 A 3 ASN HB2 A 4 GLU HB2 1.0 1.8 5.075 21 11 A 3 ASN HB3 A 4 GLU HB2 1.0 1.8 5.075 22 11 A 4 GLU HB3 A 3 ASN HB2 1.0 1.8 5.075 23 11 A 3 ASN HB3 A 4 GLU HB3 1.0 1.8 5.075 24 12 A 7 ALA HB% A 8 GLN HA 1.0 1.8 4.505 25 13 A 65 ALA HB% A 66 ARG HA 1.0 1.8 4.675 26 14 A 19 ILE HG2% A 15 TYR HDx 1.0 1.8 3.770 27 14 A 19 ILE HG2% A 15 TYR HDy 1.0 1.8 3.770 28 15 A 19 ILE HG2% A 15 TYR HEx 1.0 1.8 3.705 29 15 A 19 ILE HG2% A 15 TYR HEy 1.0 1.8 3.705 30 16 A 19 ILE HD1% A 15 TYR HDx 1.0 1.8 4.770 31 16 A 19 ILE HD1% A 15 TYR HDy 1.0 1.8 4.770 32 17 A 19 ILE HD1% A 15 TYR HEx 1.0 1.8 3.705 33 17 A 19 ILE HD1% A 15 TYR HEy 1.0 1.8 3.705 34 18 A 67 VAL HA A 70 ARG HB2 1.0 1.8 3.500 35 18 A 67 VAL HA A 70 ARG HB3 1.0 1.8 3.500 36 19 A 64 TRP HE3 A 67 VAL HB 1.0 1.8 3.735 37 20 A 64 TRP HA A 67 VAL HB 1.0 1.8 6.500 38 21 A 64 TRP HE3 A 67 VAL HGx% 1.0 1.8 3.810 39 22 A 64 TRP HA A 67 VAL HGx% 1.0 1.8 4.045 40 23 A 64 TRP HE3 A 58 ILE HG2% 1.0 1.8 3.735 41 24 A 64 TRP HA A 58 ILE HG2% 1.0 1.8 3.605 42 25 A 58 ILE HG2% A 64 TRP HB2 1.0 1.8 4.615 43 25 A 58 ILE HG2% A 64 TRP HB3 1.0 1.8 4.615 44 26 A 58 ILE HD1% A 52 GLU HB2 1.0 1.8 3.500 45 27 A 58 ILE HD1% A 49 VAL HGy% 1.0 1.8 4.500 46 28 A 58 ILE HD1% A 55 TYR HA 1.0 1.8 3.615 47 29 A 58 ILE HD1% A 52 GLU HB3 1.0 1.8 3.500 48 30 A 25 ILE HD1% A 21 LYS HE2 1.0 1.8 3.500 49 30 A 21 LYS HE3 A 25 ILE HD1% 1.0 1.8 3.500 50 31 A 33 PRO HBy A 82 LEU HD2% 1.0 1.8 3.500 51 31 A 33 PRO HBy A 82 LEU HD1% 1.0 1.8 3.500 52 32 A 79 ILE HA A 82 LEU HBx 1.0 1.8 3.500 53 33 A 68 ALA HB% A 79 ILE HA 1.0 1.8 6.500 54 34 A 23 TRP HD1 A 30 LEU HDy% 1.0 1.8 4.010 55 35 A 23 TRP HD1 A 30 LEU HDx% 1.0 1.8 4.010 56 36 A 59 CYS H A 60 LYS HB2 1.0 1.8 4.625 57 36 A 59 CYS H A 60 LYS HB3 1.0 1.8 4.625 58 37 A 32 ILE HB A 33 PRO HD2 1.0 1.8 5.000 59 37 A 32 ILE HB A 33 PRO HD3 1.0 1.8 5.000 60 38 A 32 ILE HG13 A 33 PRO HD2 1.0 1.8 5.650 61 38 A 32 ILE HG12 A 33 PRO HD2 1.0 1.8 5.650 62 38 A 33 PRO HD3 A 32 ILE HG12 1.0 1.8 5.650 63 38 A 33 PRO HD3 A 32 ILE HG13 1.0 1.8 5.650 64 39 A 82 LEU HD1% A 34 ASN HA 1.0 1.8 5.440 65 40 A 34 ASN HA A 35 VAL HA 1.0 1.8 4.240 66 41 A 34 ASN HA A 39 ILE HA 1.0 1.8 3.875 67 42 A 79 ILE HG2% A 35 VAL HB 1.0 1.8 3.610 68 43 A 36 GLU HA A 37 ARG HD2 1.0 1.8 3.730 69 43 A 36 GLU HA A 37 ARG HD3 1.0 1.8 3.730 70 44 A 67 VAL HA A 48 ILE HG2% 1.0 1.8 4.500 71 45 A 55 TYR HDx A 49 VAL HGy% 1.0 1.8 4.430 72 45 A 49 VAL HGy% A 55 TYR HDy 1.0 1.8 4.430 73 46 A 64 TRP HH2 A 49 VAL HGy% 1.0 1.8 3.500 74 47 A 45 LEU HA A 48 ILE HD1% 1.0 1.8 3.590 75 48 A 32 ILE HG2% A 33 PRO HD2 1.0 1.8 4.000 76 48 A 33 PRO HD3 A 32 ILE HG2% 1.0 1.8 4.000 77 49 A 64 TRP HE3 A 45 LEU HD1% 1.0 1.8 4.495 78 49 A 64 TRP HE3 A 45 LEU HD2% 1.0 1.8 4.495 79 50 A 64 TRP HZ3 A 45 LEU HD1% 1.0 1.8 3.880 80 50 A 45 LEU HD2% A 64 TRP HZ3 1.0 1.8 3.880 81 51 A 64 TRP HH2 A 45 LEU HD1% 1.0 1.8 3.980 82 51 A 64 TRP HH2 A 45 LEU HD2% 1.0 1.8 3.980 83 52 A 48 ILE HA A 47 LYS HG2 1.0 1.8 3.635 84 52 A 47 LYS HG3 A 48 ILE HA 1.0 1.8 3.635 85 53 A 49 VAL HA A 52 GLU HB2 1.0 1.8 3.560 86 54 A 58 ILE HD1% A 49 VAL HA 1.0 1.8 3.500 87 55 A 49 VAL HGx% A 55 TYR HDx 1.0 1.8 4.165 88 55 A 49 VAL HGx% A 55 TYR HDy 1.0 1.8 4.165 89 56 A 58 ILE HD1% A 49 VAL HGx% 1.0 1.8 4.500 90 57 A 56 GLU HA A 59 CYS HB2 1.0 1.8 3.560 91 57 A 56 GLU HA A 59 CYS HB3 1.0 1.8 3.560 92 58 A 57 ALA HB% A 58 ILE HA 1.0 1.8 4.500 93 59 A 64 TRP HA A 67 VAL HB 1.0 1.8 4.155 94 60 A 68 ALA HB% A 80 GLY HA2 1.0 1.8 4.770 95 61 A 68 ALA HB% A 80 GLY HA3 1.0 1.8 4.500 96 62 A 68 ALA HB% A 79 ILE HB 1.0 1.8 3.500 97 63 A 81 SER HA A 84 ARG HB2 1.0 1.8 3.570 98 63 A 81 SER HA A 84 ARG HB3 1.0 1.8 3.570 99 64 A 79 ILE HG2% A 82 LEU HBx 1.0 1.8 4.080 100 65 A 79 ILE HA A 82 LEU HBy 1.0 1.8 4.000 101 66 A 79 ILE HG2% A 82 LEU HBy 1.0 1.8 4.145 102 67 A 58 ILE HG2% A 83 LEU HDy% 1.0 1.8 6.500 103 68 A 58 ILE HD1% A 83 LEU HDy% 1.0 1.8 6.500 104 69 A 87 TYR HA A 91 VAL HB 1.0 1.8 3.670 105 70 A 87 TYR HA A 91 VAL HG1% 1.0 1.8 3.500 106 70 A 87 TYR HA A 91 VAL HG2% 1.0 1.8 3.500 107 71 A 88 GLU HA A 92 TYR HDx 1.0 1.8 3.500 108 71 A 88 GLU HA A 92 TYR HDy 1.0 1.8 3.500 109 72 A 88 GLU HA A 92 TYR HB2 1.0 1.8 3.500 110 72 A 88 GLU HA A 92 TYR HB3 1.0 1.8 3.500 111 73 A 90 ILE HG2% A 91 VAL HA 1.0 1.8 4.500 112 74 A 56 GLU HG3 A 59 CYS HB2 1.0 1.8 3.780 113 74 A 56 GLU HG2 A 59 CYS HB2 1.0 1.8 3.780 114 74 A 59 CYS HB3 A 56 GLU HG2 1.0 1.8 3.780 115 74 A 59 CYS HB3 A 56 GLU HG3 1.0 1.8 3.780 116 75 A 19 ILE HG2% A 20 ALA HB% 1.0 1.8 4.000 117 76 A 20 ALA HB% A 16 LEU HA 1.0 1.8 4.655 118 77 A 15 TYR HB3 A 43 TYR HDy 1.0 1.8 4.500 119 77 A 15 TYR HB3 A 43 TYR HDx 1.0 1.8 4.500 120 77 A 43 TYR HDx A 15 TYR HB2 1.0 1.8 4.500 121 77 A 43 TYR HDy A 15 TYR HB2 1.0 1.8 4.500 122 78 A 43 TYR HA A 42 LEU HD1% 1.0 1.8 5.145 123 78 A 42 LEU HD2% A 43 TYR HA 1.0 1.8 5.145 124 79 A 59 CYS HA A 64 TRP HD1 1.0 1.8 3.975 125 80 A 47 LYS HA A 50 VAL HB 1.0 1.8 3.535 126 81 A 91 VAL HG2% A 94 TYR HDy 1.0 1.8 4.150 127 81 A 94 TYR HDy A 91 VAL HG1% 1.0 1.8 4.150 128 81 A 91 VAL HG2% A 94 TYR HDx 1.0 1.8 4.150 129 81 A 94 TYR HDx A 91 VAL HG1% 1.0 1.8 4.150 130 82 A 19 ILE HD1% A 94 TYR HDx 1.0 1.8 4.650 131 82 A 19 ILE HD1% A 94 TYR HDy 1.0 1.8 4.650 132 83 A 90 ILE HG2% A 94 TYR HDy 1.0 1.8 4.650 133 84 A 64 TRP HZ2 A 55 TYR HDx 1.0 1.8 4.500 134 84 A 64 TRP HZ2 A 55 TYR HDy 1.0 1.8 4.500 135 85 A 23 TRP HZ2 A 90 ILE HA 1.0 1.8 6.150 136 86 A 86 HIS HD2 A 82 LEU HD2% 1.0 1.8 3.500 137 86 A 82 LEU HD1% A 86 HIS HD2 1.0 1.8 3.500 138 87 A 23 TRP HD1 A 90 ILE HG2% 1.0 1.8 6.000 139 88 A 23 TRP HD1 A 90 ILE HD1% 1.0 1.8 4.835 140 89 A 15 TYR HDy A 43 TYR HDy 1.0 1.8 4.500 141 89 A 43 TYR HDx A 15 TYR HDx 1.0 1.8 4.500 142 89 A 15 TYR HDy A 43 TYR HDx 1.0 1.8 4.500 143 89 A 43 TYR HDy A 15 TYR HDx 1.0 1.8 4.500 144 90 A 15 TYR HDy A 43 TYR HEx 1.0 1.8 4.500 145 91 A 15 TYR HEx A 43 TYR HDy 1.0 1.8 4.500 146 92 A 15 TYR HEy A 43 TYR HDx 1.0 1.8 4.500 147 93 A 15 TYR HDx A 43 TYR HEy 1.0 1.8 4.500 148 94 A 15 TYR HEx A 43 TYR HEy 1.0 1.8 4.500 149 94 A 43 TYR HEx A 15 TYR HEy 1.0 1.8 4.500 150 94 A 15 TYR HEy A 43 TYR HEy 1.0 1.8 4.500 151 94 A 43 TYR HEx A 15 TYR HEx 1.0 1.8 4.500 152 95 A 55 TYR HDy A 56 GLU HB2 1.0 1.8 4.650 153 95 A 56 GLU HB3 A 55 TYR HDx 1.0 1.8 4.650 154 95 A 56 GLU HB3 A 55 TYR HDy 1.0 1.8 4.650 155 95 A 55 TYR HDx A 56 GLU HB2 1.0 1.8 4.650 156 96 A 94 TYR H A 22 PHE HEx 1.0 1.8 4.900 157 96 A 94 TYR H A 22 PHE HEy 1.0 1.8 4.900 158 97 A 32 ILE HA A 33 PRO HD2 1.0 1.8 3.500 159 97 A 33 PRO HD3 A 32 ILE HA 1.0 1.8 3.500 160 98 A 86 HIS HE1 A 82 LEU HD2% 1.0 1.8 3.990 161 98 A 82 LEU HD1% A 86 HIS HE1 1.0 1.8 3.990 162 99 A 86 HIS HE1 A 33 PRO HG2 1.0 1.8 4.050 163 99 A 86 HIS HE1 A 33 PRO HG3 1.0 1.8 4.050 164 100 A 64 TRP HZ2 A 58 ILE HB 1.0 1.8 4.150 165 101 A 15 TYR HEx A 19 ILE HB 1.0 1.8 4.150 166 101 A 15 TYR HEy A 19 ILE HB 1.0 1.8 4.150 167 102 A 15 TYR HDx A 19 ILE HB 1.0 1.8 4.150 168 102 A 15 TYR HDy A 19 ILE HB 1.0 1.8 4.150 169 103 A 55 TYR HA A 64 TRP HZ2 1.0 1.8 3.500 170 104 A 64 TRP HZ2 A 49 VAL HGy% 1.0 1.8 4.520 171 105 A 58 ILE HG2% A 64 TRP HD1 1.0 1.8 4.045 172 106 A 64 TRP HE3 A 49 VAL HA 1.0 1.8 6.150 173 107 A 58 ILE HG2% A 64 TRP HZ2 1.0 1.8 4.650 174 108 A 58 ILE HD1% A 64 TRP HZ2 1.0 1.8 4.150 175 109 A 58 ILE HD1% A 64 TRP HH2 1.0 1.8 4.150 176 110 A 58 ILE HG2% A 64 TRP HH2 1.0 1.8 5.150 177 111 A 64 TRP HH2 A 55 TYR HDy 1.0 1.8 4.500 178 111 A 64 TRP HH2 A 55 TYR HDx 1.0 1.8 4.500 179 112 A 34 ASN HA A 39 ILE HB 1.0 1.8 5.995 180 113 A 58 ILE HD1% A 52 GLU HA 1.0 1.8 5.150 181 114 A 58 ILE HD1% A 52 GLU HGy 1.0 1.8 4.150 182 115 A 58 ILE HD1% A 48 ILE HG2% 1.0 1.8 4.150 183 116 A 58 ILE HD1% A 57 ALA HB% 1.0 1.8 5.160 184 117 A 94 TYR HA A 22 PHE HEx 1.0 1.8 4.655 185 117 A 94 TYR HA A 22 PHE HEy 1.0 1.8 4.655 186 118 A 19 ILE HA A 22 PHE HDx 1.0 1.8 4.545 187 118 A 19 ILE HA A 22 PHE HDy 1.0 1.8 4.545 188 119 A 94 TYR HA A 22 PHE HDx 1.0 1.8 5.150 189 119 A 94 TYR HA A 22 PHE HDy 1.0 1.8 5.150 190 120 A 97 TYR HDx A 22 PHE HDx 1.0 1.8 4.000 191 120 A 22 PHE HDx A 97 TYR HDy 1.0 1.8 4.000 192 120 A 22 PHE HDy A 97 TYR HDy 1.0 1.8 4.000 193 120 A 22 PHE HDy A 97 TYR HDx 1.0 1.8 4.000 194 121 A 45 LEU HA A 48 ILE HB 1.0 1.8 3.500 195 122 A 49 VAL HA A 52 GLU HB3 1.0 1.8 4.060 196 123 A 57 ALA HA A 60 LYS HB2 1.0 1.8 3.500 197 123 A 60 LYS HB3 A 57 ALA HA 1.0 1.8 3.500 198 124 A 63 ARG HA A 66 ARG HB2 1.0 1.8 5.000 199 124 A 63 ARG HA A 66 ARG HB3 1.0 1.8 5.000 200 125 A 68 ALA HA A 71 LEU HB2 1.0 1.8 4.000 201 125 A 68 ALA HA A 71 LEU HB3 1.0 1.8 4.000 202 126 A 90 ILE HG2% A 23 TRP HZ2 1.0 1.8 6.150 203 127 A 23 TRP HD1 A 94 TYR HDy 1.0 1.8 6.150 204 128 A 23 TRP HD1 A 94 TYR HEy 1.0 1.8 4.650 205 129 A 94 TYR HDy A 23 TRP HZ3 1.0 1.8 6.650 206 130 A 94 TYR HEy A 23 TRP HZ3 1.0 1.8 6.650 207 131 A 64 TRP HH2 A 49 VAL HGx% 1.0 1.8 3.500 208 132 A 64 TRP HZ3 A 49 VAL HGy% 1.0 1.8 3.940 209 133 A 64 TRP HE3 A 49 VAL HGy% 1.0 1.8 6.500 210 134 A 30 LEU HG A 31 LYS H 1.0 1.8 4.195 211 135 A 34 ASN HA A 40 LEU H 1.0 1.8 4.620 212 136 A 39 ILE HA A 40 LEU H 1.0 1.8 3.500 213 137 A 39 ILE HB A 40 LEU H 1.0 1.8 4.000 214 138 A 40 LEU H A 39 ILE HG2% 1.0 1.8 4.685 215 139 A 40 LEU H A 39 ILE HD1% 1.0 1.8 4.345 216 140 A 59 CYS HA A 64 TRP HE1 1.0 1.8 3.500 217 141 A 58 ILE HG2% A 64 TRP HE1 1.0 1.8 3.755 218 142 A 31 LYS HA A 32 ILE H 1.0 1.8 3.500 219 143 A 36 GLU H A 35 VAL HG2% 1.0 1.8 3.665 220 144 A 36 GLU H A 35 VAL HG1% 1.0 1.8 4.665 221 145 A 29 SER HA A 30 LEU H 1.0 1.8 3.500 222 146 A 23 TRP HE1 A 24 GLU HA 1.0 1.8 5.825 223 147 A 90 ILE HG2% A 23 TRP HE1 1.0 1.8 6.000 224 148 A 20 ALA H A 21 LYS HB2 1.0 1.8 5.340 225 148 A 20 ALA H A 21 LYS HB3 1.0 1.8 5.340 226 149 A 19 ILE HG2% A 20 ALA H 1.0 1.8 3.500 227 150 A 82 LEU H A 81 SER HB2 1.0 1.8 3.500 228 150 A 81 SER HB3 A 82 LEU H 1.0 1.8 3.500 229 151 A 107 THR H A 108 ARG H 1.0 1.8 3.750 230 152 A 38 ARG HA A 39 ILE H 1.0 1.8 3.500 231 153 A 39 ILE H A 38 ARG HG2 1.0 1.8 3.500 232 153 A 39 ILE H A 38 ARG HG3 1.0 1.8 3.500 233 154 A 101 ALA H A 102 ASN H 1.0 1.8 3.500 234 155 A 56 GLU H A 57 ALA H 1.0 1.8 3.500 235 156 A 57 ALA H A 56 GLU HB2 1.0 1.8 3.500 236 156 A 56 GLU HB3 A 57 ALA H 1.0 1.8 3.500 237 157 A 34 ASN H A 35 VAL H 1.0 1.8 4.335 238 158 A 34 ASN HA A 35 VAL H 1.0 1.8 3.500 239 159 A 35 VAL H A 34 ASN HBx 1.0 1.8 3.790 240 160 A 35 VAL H A 34 ASN HBy 1.0 1.8 3.790 241 161 A 79 ILE HG2% A 35 VAL H 1.0 1.8 5.650 242 162 A 104 VAL HA A 105 CYS H 1.0 1.8 3.500 243 163 A 60 LYS H A 59 CYS HB2 1.0 1.8 3.595 244 163 A 59 CYS HB3 A 60 LYS H 1.0 1.8 3.595 245 164 A 105 CYS H A 104 VAL HG1% 1.0 1.8 3.620 246 164 A 105 CYS H A 104 VAL HG2% 1.0 1.8 3.620 247 165 A 59 CYS H A 60 LYS H 1.0 1.8 3.500 248 166 A 57 ALA HA A 60 LYS H 1.0 1.8 3.500 249 167 A 48 ILE HA A 51 GLU H 1.0 1.8 3.500 250 168 A 12 LYS H A 13 LEU H 1.0 1.8 3.500 251 169 A 94 TYR HA A 97 TYR H 1.0 1.8 3.500 252 170 A 15 TYR H A 14 ASN HB2 1.0 1.8 3.500 253 170 A 14 ASN HB3 A 15 TYR H 1.0 1.8 3.500 254 171 A 113 GLU HA A 114 GLU H 1.0 1.8 3.500 255 172 A 12 LYS H A 11 VAL HB 1.0 1.8 4.000 256 173 A 12 LYS H A 11 VAL HGx% 1.0 1.8 4.000 257 174 A 64 TRP H A 65 ALA H 1.0 1.8 3.580 258 175 A 64 TRP H A 63 ARG HB2 1.0 1.8 3.500 259 175 A 64 TRP H A 63 ARG HB3 1.0 1.8 3.500 260 176 A 58 ILE HG2% A 64 TRP H 1.0 1.8 4.160 261 177 A 65 ALA H A 66 ARG H 1.0 1.8 3.515 262 178 A 65 ALA H A 64 TRP HB2 1.0 1.8 3.755 263 178 A 64 TRP HB3 A 65 ALA H 1.0 1.8 3.755 264 179 A 92 TYR H A 95 GLU H 1.0 1.8 5.150 265 180 A 3 ASN HA A 4 GLU H 1.0 1.8 3.500 266 181 A 4 GLU H A 3 ASN HB2 1.0 1.8 3.500 267 181 A 3 ASN HB3 A 4 GLU H 1.0 1.8 3.500 268 182 A 25 ILE H A 24 GLU HBx 1.0 1.8 3.500 269 182 A 24 GLU HBy A 25 ILE H 1.0 1.8 3.500 270 183 A 18 GLN H A 19 ILE H 1.0 1.8 3.500 271 184 A 20 ALA H A 19 ILE H 1.0 1.8 3.500 272 185 A 20 ALA HB% A 19 ILE H 1.0 1.8 6.510 273 186 A 91 VAL HB A 92 TYR H 1.0 1.8 3.625 274 187 A 92 TYR H A 91 VAL HG1% 1.0 1.8 5.000 275 187 A 91 VAL HG2% A 92 TYR H 1.0 1.8 5.000 276 188 A 23 TRP H A 24 GLU H 1.0 1.8 3.500 277 189 A 24 GLU H A 21 LYS HA 1.0 1.8 3.500 278 190 A 47 LYS H A 48 ILE H 1.0 1.8 3.500 279 191 A 47 LYS H A 46 SER H 1.0 1.8 3.500 280 192 A 47 LYS H A 46 SER HB2 1.0 1.8 3.500 281 192 A 47 LYS H A 46 SER HB3 1.0 1.8 3.500 282 193 A 47 LYS H A 44 SER HA 1.0 1.8 3.540 283 194 A 48 ILE HB A 47 LYS H 1.0 1.8 4.765 284 195 A 48 ILE H A 45 LEU H 1.0 1.8 4.650 285 196 A 116 ASP H A 117 LYS H 1.0 1.8 3.500 286 197 A 45 LEU H A 44 SER H 1.0 1.8 3.500 287 198 A 48 ILE H A 47 LYS HG2 1.0 1.8 3.500 288 198 A 47 LYS HG3 A 48 ILE H 1.0 1.8 3.500 289 199 A 86 HIS H A 87 TYR H 1.0 1.8 3.525 290 200 A 87 TYR H A 86 HIS HBx 1.0 1.8 3.820 291 201 A 87 TYR H A 86 HIS HBy 1.0 1.8 3.820 292 202 A 87 TYR H A 84 ARG HB2 1.0 1.8 5.880 293 202 A 84 ARG HB3 A 87 TYR H 1.0 1.8 5.880 294 203 A 70 ARG H A 71 LEU H 1.0 1.8 3.500 295 204 A 45 LEU H A 44 SER HB2 1.0 1.8 3.600 296 204 A 45 LEU H A 44 SER HB3 1.0 1.8 3.600 297 205 A 67 VAL HA A 70 ARG H 1.0 1.8 3.610 298 206 A 70 ARG H A 69 GLN HB2 1.0 1.8 3.500 299 206 A 70 ARG H A 69 GLN HB3 1.0 1.8 3.500 300 207 A 45 LEU H A 47 LYS HG2 1.0 1.8 6.150 301 207 A 47 LYS HG3 A 45 LEU H 1.0 1.8 6.150 302 208 A 105 CYS H A 104 VAL H 1.0 1.8 4.270 303 209 A 104 VAL H A 103 LEU HA 1.0 1.8 3.500 304 210 A 3 ASN H A 2 MET HB2 1.0 1.8 3.600 305 210 A 2 MET HB3 A 3 ASN H 1.0 1.8 3.600 306 211 A 64 TRP HA A 67 VAL H 1.0 1.8 3.690 307 212 A 67 VAL H A 66 ARG HB2 1.0 1.8 4.000 308 212 A 66 ARG HB3 A 67 VAL H 1.0 1.8 4.000 309 213 A 68 ALA HB% A 67 VAL H 1.0 1.8 5.155 310 214 A 94 TYR H A 95 GLU H 1.0 1.8 3.500 311 215 A 95 GLU H A 93 PRO HA 1.0 1.8 5.865 312 216 A 95 GLU H A 91 VAL HG1% 1.0 1.8 4.645 313 216 A 91 VAL HG2% A 95 GLU H 1.0 1.8 4.645 314 217 A 66 ARG H A 67 VAL H 1.0 1.8 3.500 315 218 A 63 ARG HA A 66 ARG H 1.0 1.8 3.500 316 219 A 65 ALA HB% A 66 ARG H 1.0 1.8 3.500 317 220 A 20 ALA HB% A 21 LYS H 1.0 1.8 3.500 318 221 A 19 ILE HG2% A 18 GLN H 1.0 1.8 4.650 319 222 A 19 ILE HG2% A 21 LYS H 1.0 1.8 6.150 320 223 A 94 TYR HEy A 23 TRP H 1.0 1.8 5.150 321 224 A 23 TRP H A 22 PHE HDx 1.0 1.8 3.500 322 224 A 23 TRP H A 22 PHE HDy 1.0 1.8 3.500 323 225 A 22 PHE H A 21 LYS HB2 1.0 1.8 3.500 324 225 A 21 LYS HB3 A 22 PHE H 1.0 1.8 3.500 325 226 A 20 ALA HB% A 22 PHE H 1.0 1.8 5.775 326 227 A 68 ALA HB% A 79 ILE H 1.0 1.8 4.365 327 228 A 85 SER HA A 88 GLU H 1.0 1.8 3.780 328 229 A 88 GLU H A 87 TYR HB2 1.0 1.8 3.675 329 230 A 88 GLU H A 87 TYR HB3 1.0 1.8 3.675 330 231 A 76 GLY H A 77 LYS H 1.0 1.8 3.755 331 232 A 84 ARG H A 85 SER H 1.0 1.8 3.500 332 233 A 81 SER HA A 84 ARG H 1.0 1.8 3.500 333 234 A 84 ARG H A 83 LEU HG 1.0 1.8 3.500 334 235 A 86 HIS H A 85 SER HB2 1.0 1.8 3.500 335 235 A 86 HIS H A 85 SER HB3 1.0 1.8 3.500 336 236 A 23 TRP H A 26 GLN H 1.0 1.8 4.650 337 237 A 48 ILE H A 49 VAL H 1.0 1.8 3.500 338 238 A 86 HIS H A 85 SER H 1.0 1.8 3.500 339 239 A 109 PRO HA A 110 PHE H 1.0 1.8 3.500 340 240 A 56 GLU H A 55 TYR H 1.0 1.8 4.000 341 241 A 55 TYR H A 49 VAL HGx% 1.0 1.8 3.815 342 242 A 111 ASP HA A 112 ASN H 1.0 1.8 3.500 343 243 A 56 GLU H A 55 TYR HDx 1.0 1.8 3.500 344 243 A 56 GLU H A 55 TYR HDy 1.0 1.8 3.500 345 244 A 51 GLU H A 50 VAL H 1.0 1.8 3.500 346 245 A 68 ALA HA A 71 LEU H 1.0 1.8 3.690 347 246 A 98 GLN H A 99 SER H 1.0 1.8 3.500 348 247 A 98 GLN H A 97 TYR HDx 1.0 1.8 3.670 349 247 A 98 GLN H A 97 TYR HDy 1.0 1.8 3.670 350 248 A 98 GLN H A 96 MET HA 1.0 1.8 6.555 351 249 A 97 TYR H A 98 GLN H 1.0 1.8 3.500 352 250 A 13 LEU H A 10 ARG HA 1.0 1.8 4.000 353 251 A 13 LEU H A 9 THR HG2% 1.0 1.8 5.810 354 252 A 49 VAL H A 50 VAL H 1.0 1.8 3.500 355 253 A 47 LYS HA A 50 VAL H 1.0 1.8 3.730 356 254 A 87 TYR HA A 91 VAL H 1.0 1.8 3.500 357 255 A 50 VAL H A 47 LYS HG2 1.0 1.8 6.450 358 255 A 47 LYS HG3 A 50 VAL H 1.0 1.8 6.450 359 256 A 50 VAL H A 49 VAL HGx% 1.0 1.8 4.095 360 257 A 35 VAL H A 38 ARG H 1.0 1.8 3.550 361 258 A 38 ARG H A 37 ARG H 1.0 1.8 3.500 362 259 A 10 ARG H A 11 VAL H 1.0 1.8 4.000 363 260 A 11 VAL H A 10 ARG HB2 1.0 1.8 4.000 364 260 A 11 VAL H A 10 ARG HB3 1.0 1.8 4.000 365 261 A 70 ARG H A 69 GLN H 1.0 1.8 3.500 366 262 A 66 ARG HA A 69 GLN H 1.0 1.8 3.500 367 263 A 68 ALA HB% A 69 GLN H 1.0 1.8 3.500 368 264 A 35 VAL HA A 38 ARG H 1.0 1.8 4.500 369 265 A 67 VAL H A 68 ALA H 1.0 1.8 3.500 370 266 A 67 VAL HB A 68 ALA H 1.0 1.8 4.040 371 267 A 92 TYR H A 91 VAL H 1.0 1.8 3.500 372 268 A 13 LEU H A 14 ASN H 1.0 1.8 3.500 373 269 A 10 ARG HA A 14 ASN H 1.0 1.8 4.235 374 270 A 11 VAL HA A 14 ASN H 1.0 1.8 4.110 375 271 A 14 ASN H A 15 TYR HB2 1.0 1.8 5.205 376 271 A 15 TYR HB3 A 14 ASN H 1.0 1.8 5.205 377 272 A 14 ASN H A 13 LEU HBx 1.0 1.8 3.520 378 273 A 14 ASN H A 13 LEU HBy 1.0 1.8 3.520 379 274 A 42 LEU H A 43 TYR H 1.0 1.8 3.590 380 275 A 43 TYR H A 42 LEU HBx 1.0 1.8 3.700 381 276 A 43 TYR H A 42 LEU HBy 1.0 1.8 3.700 382 277 A 15 TYR HDx A 16 LEU H 1.0 1.8 3.755 383 277 A 15 TYR HDy A 16 LEU H 1.0 1.8 3.755 384 278 A 16 LEU H A 15 TYR HB2 1.0 1.8 3.500 385 278 A 15 TYR HB3 A 16 LEU H 1.0 1.8 3.500 386 279 A 93 PRO HA A 96 MET H 1.0 1.8 4.000 387 280 A 7 ALA HB% A 8 GLN H 1.0 1.8 3.500 388 281 A 84 ARG H A 83 LEU H 1.0 1.8 3.500 389 282 A 82 LEU H A 83 LEU H 1.0 1.8 3.500 390 283 A 83 LEU H A 82 LEU HD2% 1.0 1.8 6.055 391 283 A 82 LEU HD1% A 83 LEU H 1.0 1.8 6.055 392 284 A 79 ILE HG2% A 83 LEU H 1.0 1.8 4.650 393 285 A 69 GLN HA A 73 TYR H 1.0 1.8 3.505 394 286 A 57 ALA H A 58 ILE H 1.0 1.8 3.500 395 287 A 57 ALA HB% A 58 ILE H 1.0 1.8 3.500 396 288 A 61 ASP H A 62 ARG H 1.0 1.8 3.500 397 289 A 59 CYS HA A 62 ARG H 1.0 1.8 3.500 398 290 A 77 LYS H A 78 ASN H 1.0 1.8 3.725 399 291 A 79 ILE H A 78 ASN H 1.0 1.8 3.820 400 292 A 44 SER H A 43 TYR H 1.0 1.8 3.500 401 293 A 44 SER H A 43 TYR HB2 1.0 1.8 3.500 402 293 A 43 TYR HB3 A 44 SER H 1.0 1.8 3.500 403 294 A 102 ASN H A 101 ALA HA 1.0 1.8 3.500 404 295 A 102 ASN H A 101 ALA HB% 1.0 1.8 3.500 405 296 A 28 SER HA A 29 SER H 1.0 1.8 3.500 406 297 A 25 ILE H A 26 GLN H 1.0 1.8 3.500 407 298 A 26 GLN H A 25 ILE HB 1.0 1.8 3.575 408 299 A 26 GLN H A 25 ILE HG2% 1.0 1.8 4.720 409 300 A 34 ASN H A 33 PRO HA 1.0 1.8 3.500 410 301 A 63 ARG H A 64 TRP HB2 1.0 1.8 5.240 411 301 A 64 TRP HB3 A 63 ARG H 1.0 1.8 5.240 412 302 A 58 ILE HB A 63 ARG H 1.0 1.8 4.650 413 303 A 58 ILE HG2% A 63 ARG H 1.0 1.8 4.050 414 304 A 61 ASP H A 60 LYS HB2 1.0 1.8 3.500 415 304 A 60 LYS HB3 A 61 ASP H 1.0 1.8 3.500 416 305 A 27 GLY H A 28 SER H 1.0 1.8 3.500 417 306 A 26 GLN H A 28 SER H 1.0 1.8 3.735 418 307 A 24 GLU HA A 28 SER H 1.0 1.8 4.515 419 308 A 28 SER H A 25 ILE HA 1.0 1.8 4.500 420 309 A 9 THR H A 8 GLN HB2 1.0 1.8 3.500 421 309 A 8 GLN HB3 A 9 THR H 1.0 1.8 3.500 422 310 A 91 VAL HA A 94 TYR H 1.0 1.8 3.550 423 311 A 80 GLY H A 81 SER H 1.0 1.8 3.500 424 312 A 59 CYS H A 56 GLU HA 1.0 1.8 3.845 425 313 A 59 CYS H A 58 ILE HB 1.0 1.8 3.625 426 314 A 58 ILE HG2% A 59 CYS H 1.0 1.8 4.410 427 315 A 88 GLU H A 89 ARG H 1.0 1.8 3.645 428 316 A 51 GLU H A 52 GLU H 1.0 1.8 3.500 429 317 A 52 GLU H A 53 GLY H 1.0 1.8 3.500 430 318 A 87 TYR HA A 89 ARG H 1.0 1.8 6.150 431 319 A 48 ILE HA A 52 GLU H 1.0 1.8 4.150 432 320 A 49 VAL HA A 52 GLU H 1.0 1.8 3.695 433 321 A 107 THR H A 106 ASN H 1.0 1.8 3.735 434 322 A 89 ARG H A 86 HIS HA 1.0 1.8 3.500 435 323 A 91 VAL H A 90 ILE H 1.0 1.8 3.500 436 324 A 99 SER H A 98 GLN HB2 1.0 1.8 3.500 437 324 A 99 SER H A 98 GLN HB3 1.0 1.8 3.500 438 325 A 71 LEU H A 72 ASN H 1.0 1.8 3.500 439 326 A 69 GLN HA A 72 ASN H 1.0 1.8 4.500 440 327 A 85 SER H A 84 ARG HB2 1.0 1.8 3.500 441 327 A 84 ARG HB3 A 85 SER H 1.0 1.8 3.500 442 328 A 85 SER H A 83 LEU HG 1.0 1.8 5.675 443 329 A 46 SER H A 45 LEU H 1.0 1.8 3.500 444 330 A 43 TYR HA A 46 SER H 1.0 1.8 3.890 445 331 A 46 SER H A 45 LEU HBx 1.0 1.8 4.205 446 332 A 46 SER H A 45 LEU HBy 1.0 1.8 3.705 447 333 A 46 SER H A 47 LYS HG2 1.0 1.8 4.120 448 333 A 47 LYS HG3 A 46 SER H 1.0 1.8 4.120 449 334 A 71 LEU HB2 A 72 ASN HD22 1.0 1.8 4.650 450 334 A 71 LEU HB3 A 72 ASN HD22 1.0 1.8 4.650 451 334 A 72 ASN HD21 A 71 LEU HB2 1.0 1.8 4.650 452 334 A 71 LEU HB3 A 72 ASN HD21 1.0 1.8 4.650 453 335 A 53 GLY H A 54 GLY H 1.0 1.8 3.500 454 336 A 54 GLY H A 49 VAL HGx% 1.0 1.8 4.150 455 337 A 58 ILE HD1% A 54 GLY H 1.0 1.8 3.755 456 338 A 79 ILE H A 80 GLY H 1.0 1.8 3.640 457 339 A 79 ILE HB A 80 GLY H 1.0 1.8 3.775 458 340 A 68 ALA HB% A 80 GLY H 1.0 1.8 3.635 459 341 A 79 ILE HG2% A 80 GLY H 1.0 1.8 4.765 460 342 A 36 GLU H A 37 ARG H 1.0 1.8 3.595 461 343 A 37 ARG H A 36 GLU HBx 1.0 1.8 4.305 462 344 A 37 ARG H A 36 GLU HBy 1.0 1.8 4.305 463 345 A 26 GLN H A 27 GLY H 1.0 1.8 3.500 464 346 A 59 CYS H A 64 TRP HE1 1.0 1.8 3.855 465 347 A 58 ILE HA A 61 ASP H 1.0 1.8 3.785 466 348 A 12 LYS H A 9 THR HA 1.0 1.8 4.000 467 349 A 58 ILE HD1% A 59 CYS H 1.0 1.8 4.635 468 350 A 58 ILE HD1% A 52 GLU H 1.0 1.8 4.070 469 351 A 34 ASN HA A 39 ILE H 1.0 1.8 5.130 470 352 A 34 ASN HA A 38 ARG H 1.0 1.8 4.860 471 353 A 55 TYR HA A 58 ILE H 1.0 1.8 3.710 472 354 A 87 TYR H A 84 ARG HA 1.0 1.8 4.050 473 355 A 52 GLU H A 54 GLY H 1.0 1.8 5.955 474 356 A 57 ALA H A 54 GLY H 1.0 1.8 4.865 475 357 A 65 ALA H A 63 ARG H 1.0 1.8 6.095 476 358 A 88 GLU H A 87 TYR HDx 1.0 1.8 4.500 477 358 A 88 GLU H A 87 TYR HDy 1.0 1.8 4.500 478 359 A 88 GLU H A 87 TYR HEx 1.0 1.8 7.000 479 359 A 88 GLU H A 87 TYR HEy 1.0 1.8 7.000 480 360 A 35 VAL H A 37 ARG H 1.0 1.8 5.920 481 361 A 9 THR HA A 12 LYS HBy 1.0 1.8 5.125 482 361 A 9 THR HA A 12 LYS HBx 1.0 1.8 5.125 483 362 A 13 LEU H A 12 LYS HBy 1.0 1.8 3.500 484 362 A 13 LEU H A 12 LYS HBx 1.0 1.8 3.500 485 363 A 43 TYR HDy A 12 LYS HE3 1.0 1.8 3.755 486 363 A 43 TYR HDx A 12 LYS HE2 1.0 1.8 3.755 487 363 A 43 TYR HDx A 12 LYS HE3 1.0 1.8 3.755 488 363 A 43 TYR HDy A 12 LYS HE2 1.0 1.8 3.755 489 364 A 14 ASN H A 13 LEU HBx 1.0 1.8 3.500 490 364 A 14 ASN H A 13 LEU HBy 1.0 1.8 3.500 491 365 A 19 ILE HB A 18 GLN HE22 1.0 1.8 4.070 492 365 A 19 ILE HB A 18 GLN HE21 1.0 1.8 4.070 493 366 A 19 ILE HG2% A 18 GLN HE22 1.0 1.8 4.845 494 366 A 19 ILE HG2% A 18 GLN HE21 1.0 1.8 4.845 495 367 A 19 ILE HD1% A 18 GLN HE22 1.0 1.8 4.070 496 367 A 19 ILE HD1% A 18 GLN HE21 1.0 1.8 4.070 497 368 A 22 PHE HEx A 97 TYR HBx 1.0 1.8 3.980 498 368 A 97 TYR HBy A 22 PHE HEx 1.0 1.8 3.980 499 368 A 97 TYR HBy A 22 PHE HEy 1.0 1.8 3.980 500 368 A 22 PHE HEy A 97 TYR HBx 1.0 1.8 3.980 501 369 A 28 SER H A 26 GLN HB2 1.0 1.8 5.730 502 369 A 28 SER H A 26 GLN HB3 1.0 1.8 5.730 503 370 A 29 SER H A 28 SER HBx 1.0 1.8 4.000 504 370 A 29 SER H A 28 SER HBy 1.0 1.8 4.000 505 371 A 30 LEU H A 29 SER HBx 1.0 1.8 3.570 506 371 A 30 LEU H A 29 SER HBy 1.0 1.8 3.570 507 372 A 31 LYS H A 30 LEU HDy% 1.0 1.8 3.530 508 372 A 31 LYS H A 30 LEU HDx% 1.0 1.8 3.530 509 373 A 35 VAL H A 34 ASN HBy 1.0 1.8 3.500 510 373 A 35 VAL H A 34 ASN HBx 1.0 1.8 3.500 511 374 A 35 VAL HB A 79 ILE HG12 1.0 1.8 4.690 512 374 A 35 VAL HB A 79 ILE HG13 1.0 1.8 4.690 513 375 A 36 GLU H A 35 VAL HG2% 1.0 1.8 3.500 514 375 A 36 GLU H A 35 VAL HG1% 1.0 1.8 3.500 515 376 A 35 VAL HG1% A 36 GLU HGx 1.0 1.8 3.795 516 376 A 35 VAL HG2% A 36 GLU HGx 1.0 1.8 3.795 517 376 A 36 GLU HGy A 35 VAL HG2% 1.0 1.8 3.795 518 376 A 35 VAL HG1% A 36 GLU HGy 1.0 1.8 3.795 519 377 A 35 VAL HG2% A 79 ILE HG12 1.0 1.8 4.040 520 377 A 35 VAL HG1% A 79 ILE HG12 1.0 1.8 4.040 521 377 A 79 ILE HG13 A 35 VAL HG2% 1.0 1.8 4.040 522 377 A 79 ILE HG13 A 35 VAL HG1% 1.0 1.8 4.040 523 378 A 37 ARG H A 36 GLU HBy 1.0 1.8 5.000 524 378 A 37 ARG H A 36 GLU HBx 1.0 1.8 5.000 525 379 A 36 GLU HBy A 37 ARG HD2 1.0 1.8 4.120 526 379 A 36 GLU HBx A 37 ARG HD2 1.0 1.8 4.120 527 379 A 37 ARG HD3 A 36 GLU HBy 1.0 1.8 4.120 528 379 A 37 ARG HD3 A 36 GLU HBx 1.0 1.8 4.120 529 380 A 73 TYR HE% A 36 GLU HBy 1.0 1.8 4.480 530 380 A 36 GLU HBx A 73 TYR HE% 1.0 1.8 4.480 531 381 A 37 ARG H A 36 GLU HGx 1.0 1.8 5.475 532 381 A 37 ARG H A 36 GLU HGy 1.0 1.8 5.475 533 382 A 73 TYR HD% A 36 GLU HGx 1.0 1.8 4.070 534 382 A 36 GLU HGy A 73 TYR HD% 1.0 1.8 4.070 535 383 A 73 TYR HE% A 36 GLU HGx 1.0 1.8 4.220 536 383 A 36 GLU HGy A 73 TYR HE% 1.0 1.8 4.220 537 384 A 79 ILE HD1% A 36 GLU HGx 1.0 1.8 4.515 538 384 A 36 GLU HGy A 79 ILE HD1% 1.0 1.8 4.515 539 385 A 42 LEU HA A 45 LEU HBx 1.0 1.8 3.955 540 385 A 42 LEU HA A 45 LEU HBy 1.0 1.8 3.955 541 386 A 43 TYR H A 42 LEU HBx 1.0 1.8 3.500 542 386 A 43 TYR H A 42 LEU HBy 1.0 1.8 3.500 543 387 A 42 LEU HBy A 45 LEU HBx 1.0 1.8 6.500 544 387 A 42 LEU HBx A 45 LEU HBx 1.0 1.8 6.500 545 387 A 45 LEU HBy A 42 LEU HBx 1.0 1.8 6.500 546 387 A 45 LEU HBy A 42 LEU HBy 1.0 1.8 6.500 547 388 A 45 LEU H A 48 ILE HG1x 1.0 1.8 5.070 548 388 A 45 LEU H A 48 ILE HG1y 1.0 1.8 5.070 549 389 A 45 LEU HA A 48 ILE HG1x 1.0 1.8 4.000 550 389 A 45 LEU HA A 48 ILE HG1y 1.0 1.8 4.000 551 390 A 46 SER H A 45 LEU HBx 1.0 1.8 3.500 552 390 A 46 SER H A 45 LEU HBy 1.0 1.8 3.500 553 391 A 48 ILE HG2% A 45 LEU HBx 1.0 1.8 6.305 554 391 A 48 ILE HG2% A 45 LEU HBy 1.0 1.8 6.305 555 392 A 48 ILE HG1x A 67 VAL HGy% 1.0 1.8 4.285 556 392 A 48 ILE HG1y A 67 VAL HGy% 1.0 1.8 4.285 557 392 A 67 VAL HGx% A 48 ILE HG1x 1.0 1.8 4.285 558 392 A 48 ILE HG1y A 67 VAL HGx% 1.0 1.8 4.285 559 393 A 48 ILE HD1% A 67 VAL HGy% 1.0 1.8 3.500 560 393 A 48 ILE HD1% A 67 VAL HGx% 1.0 1.8 3.500 561 394 A 49 VAL H A 50 VAL HGx% 1.0 1.8 6.205 562 394 A 49 VAL H A 50 VAL HGy% 1.0 1.8 6.205 563 395 A 49 VAL HA A 52 GLU HB3 1.0 1.8 3.500 564 395 A 49 VAL HA A 52 GLU HB2 1.0 1.8 3.500 565 396 A 50 VAL HGy% A 49 VAL HGx% 1.0 1.8 5.380 566 396 A 49 VAL HGx% A 50 VAL HGx% 1.0 1.8 5.380 567 397 A 54 GLY HAy A 49 VAL HGx% 1.0 1.8 5.070 568 397 A 49 VAL HGx% A 54 GLY HAx 1.0 1.8 5.070 569 398 A 52 GLU H A 53 GLY HA2 1.0 1.8 5.070 570 398 A 52 GLU H A 53 GLY HA3 1.0 1.8 5.070 571 399 A 58 ILE HG2% A 52 GLU HB3 1.0 1.8 5.540 572 399 A 58 ILE HG2% A 52 GLU HB2 1.0 1.8 5.540 573 400 A 64 TRP HE3 A 52 GLU HB3 1.0 1.8 7.000 574 400 A 64 TRP HE3 A 52 GLU HB2 1.0 1.8 7.000 575 401 A 56 GLU H A 55 TYR HB2 1.0 1.8 3.500 576 401 A 56 GLU H A 55 TYR HB3 1.0 1.8 3.500 577 402 A 58 ILE HD1% A 55 TYR HB2 1.0 1.8 6.515 578 402 A 58 ILE HD1% A 55 TYR HB3 1.0 1.8 6.515 579 403 A 58 ILE HA A 61 ASP HBx 1.0 1.8 3.530 580 403 A 58 ILE HA A 61 ASP HBy 1.0 1.8 3.530 581 404 A 58 ILE HG2% A 67 VAL HGy% 1.0 1.8 4.000 582 404 A 58 ILE HG2% A 67 VAL HGx% 1.0 1.8 4.000 583 405 A 58 ILE HD1% A 67 VAL HGy% 1.0 1.8 5.500 584 405 A 58 ILE HD1% A 67 VAL HGx% 1.0 1.8 5.500 585 406 A 64 TRP HA A 67 VAL HGy% 1.0 1.8 3.805 586 406 A 64 TRP HA A 67 VAL HGx% 1.0 1.8 3.805 587 407 A 64 TRP HE3 A 67 VAL HGy% 1.0 1.8 3.505 588 407 A 64 TRP HE3 A 67 VAL HGx% 1.0 1.8 3.505 589 408 A 64 TRP HZ3 A 67 VAL HGy% 1.0 1.8 3.770 590 408 A 64 TRP HZ3 A 67 VAL HGx% 1.0 1.8 3.770 591 409 A 66 ARG HG2 A 67 VAL HGy% 1.0 1.8 3.725 592 409 A 67 VAL HGx% A 66 ARG HG2 1.0 1.8 3.725 593 409 A 67 VAL HGx% A 66 ARG HG3 1.0 1.8 3.725 594 409 A 66 ARG HG3 A 67 VAL HGy% 1.0 1.8 3.725 595 410 A 68 ALA H A 67 VAL HGy% 1.0 1.8 3.790 596 410 A 68 ALA H A 67 VAL HGx% 1.0 1.8 3.790 597 411 A 68 ALA HA A 67 VAL HGy% 1.0 1.8 4.000 598 411 A 68 ALA HA A 67 VAL HGx% 1.0 1.8 4.000 599 412 A 64 TRP HA A 67 VAL HGy% 1.0 1.8 4.000 600 412 A 64 TRP HA A 67 VAL HGx% 1.0 1.8 4.000 601 413 A 68 ALA HB% A 73 TYR HBx 1.0 1.8 6.500 602 414 A 69 GLN HA A 73 TYR HBy 1.0 1.8 5.595 603 414 A 69 GLN HA A 73 TYR HBx 1.0 1.8 5.595 604 415 A 70 ARG H A 71 LEU HDy% 1.0 1.8 4.880 605 415 A 70 ARG H A 71 LEU HDx% 1.0 1.8 4.880 606 416 A 70 ARG HB2 A 71 LEU HDy% 1.0 1.8 4.500 607 416 A 70 ARG HB3 A 71 LEU HDy% 1.0 1.8 4.500 608 416 A 71 LEU HDx% A 70 ARG HB2 1.0 1.8 4.500 609 416 A 70 ARG HB3 A 71 LEU HDx% 1.0 1.8 4.500 610 417 A 70 ARG HDy A 71 LEU HDy% 1.0 1.8 3.500 611 417 A 70 ARG HDx A 71 LEU HDy% 1.0 1.8 3.500 612 417 A 71 LEU HDx% A 70 ARG HDx 1.0 1.8 3.500 613 417 A 71 LEU HDx% A 70 ARG HDy 1.0 1.8 3.500 614 418 A 79 ILE HG2% A 73 TYR HBy 1.0 1.8 5.570 615 418 A 79 ILE HG2% A 73 TYR HBx 1.0 1.8 5.570 616 419 A 80 GLY HA2 A 83 LEU HBx 1.0 1.8 3.615 617 419 A 80 GLY HA2 A 83 LEU HBy 1.0 1.8 3.615 618 420 A 87 TYR H A 86 HIS HBy 1.0 1.8 3.510 619 420 A 87 TYR H A 86 HIS HBx 1.0 1.8 3.510 620 421 A 88 GLU H A 87 TYR HB3 1.0 1.8 3.500 621 421 A 88 GLU H A 87 TYR HB2 1.0 1.8 3.500 622 422 A 88 GLU HGy A 92 TYR HB2 1.0 1.8 4.570 623 422 A 88 GLU HGx A 92 TYR HB2 1.0 1.8 4.570 624 422 A 92 TYR HB3 A 88 GLU HGx 1.0 1.8 4.570 625 422 A 92 TYR HB3 A 88 GLU HGy 1.0 1.8 4.570 626 423 A 92 TYR HDy A 88 GLU HGx 1.0 1.8 3.500 627 423 A 88 GLU HGy A 92 TYR HDx 1.0 1.8 3.500 628 423 A 92 TYR HDx A 88 GLU HGx 1.0 1.8 3.500 629 423 A 88 GLU HGy A 92 TYR HDy 1.0 1.8 3.500 630 424 A 91 VAL HG2% A 94 TYR HBx 1.0 1.8 3.500 631 424 A 91 VAL HG1% A 94 TYR HBx 1.0 1.8 3.500 632 424 A 94 TYR HBy A 91 VAL HG1% 1.0 1.8 3.500 633 424 A 91 VAL HG2% A 94 TYR HBy 1.0 1.8 3.500 634 425 A 93 PRO HA A 96 MET HBx 1.0 1.8 4.500 635 425 A 93 PRO HA A 96 MET HBy 1.0 1.8 4.500 636 426 A 94 TYR H A 93 PRO HB2 1.0 1.8 3.500 637 426 A 94 TYR H A 93 PRO HB3 1.0 1.8 3.500 638 427 A 95 GLU H A 94 TYR HBx 1.0 1.8 3.500 639 427 A 95 GLU H A 94 TYR HBy 1.0 1.8 3.500 640 428 A 96 MET H A 95 GLU HBy 1.0 1.8 3.500 641 428 A 96 MET H A 95 GLU HBx 1.0 1.8 3.500 642 429 A 97 TYR H A 96 MET HBx 1.0 1.8 3.500 643 429 A 97 TYR H A 96 MET HBy 1.0 1.8 3.500 644 430 A 103 LEU H A 100 GLY HAx 1.0 1.8 5.070 645 430 A 100 GLY HAy A 103 LEU H 1.0 1.8 5.070 646 431 A 108 ARG HA A 109 PRO HD2 1.0 1.8 4.000 647 431 A 108 ARG HA A 109 PRO HD3 1.0 1.8 4.000 648 432 A 112 ASN H A 111 ASP HBx 1.0 1.8 3.590 649 432 A 112 ASN H A 111 ASP HBy 1.0 1.8 3.590 650 433 A 86 HIS HD2 A 83 LEU HA 1.0 1.8 3.955 651 434 A 83 LEU HA A 86 HIS HBy 1.0 1.8 3.690 652 434 A 86 HIS HBx A 83 LEU HA 1.0 1.8 3.690 653 435 A 86 HIS HD2 A 40 LEU HD1% 1.0 1.8 3.725 654 435 A 86 HIS HD2 A 40 LEU HD2% 1.0 1.8 3.725 655 436 A 83 LEU HA A 40 LEU HD1% 1.0 1.8 3.500 656 436 A 83 LEU HA A 40 LEU HD2% 1.0 1.8 3.500 657 437 A 40 LEU HD1% A 83 LEU HBx 1.0 1.8 3.685 658 437 A 40 LEU HD2% A 83 LEU HBx 1.0 1.8 3.685 659 437 A 83 LEU HBy A 40 LEU HD1% 1.0 1.8 3.685 660 437 A 83 LEU HBy A 40 LEU HD2% 1.0 1.8 3.685 661 438 A 40 LEU HD2% A 86 HIS HBy 1.0 1.8 3.500 662 438 A 40 LEU HD1% A 86 HIS HBy 1.0 1.8 3.500 663 438 A 86 HIS HBx A 40 LEU HD1% 1.0 1.8 3.500 664 438 A 86 HIS HBx A 40 LEU HD2% 1.0 1.8 3.500 665 439 A 76 GLY H A 75 PRO HBx 1.0 1.8 3.500 666 439 A 76 GLY H A 75 PRO HBy 1.0 1.8 3.500 667 440 A 23 TRP HZ3 A 26 GLN HA 1.0 1.8 5.500 668 441 A 29 SER H A 28 SER H 1.0 1.8 4.500 669 442 A 30 LEU H A 29 SER H 1.0 1.8 4.500 670 443 A 31 LYS H A 30 LEU H 1.0 1.8 4.500 671 444 A 31 LYS H A 32 ILE H 1.0 1.8 4.000 672 445 A 15 TYR HDx A 43 TYR H 1.0 1.8 5.000 673 445 A 15 TYR HDy A 43 TYR H 1.0 1.8 5.000 674 446 A 32 ILE HG2% A 30 LEU HDx% 1.0 1.8 4.000 675 447 A 30 LEU HDx% A 32 ILE HD1% 1.0 1.8 4.000 676 448 A 35 VAL HG1% A 73 TYR HD% 1.0 1.8 4.500 677 448 A 73 TYR HD% A 35 VAL HG2% 1.0 1.8 4.500 678 449 A 86 HIS HD2 A 35 VAL HG1% 1.0 1.8 7.000 679 449 A 86 HIS HD2 A 35 VAL HG2% 1.0 1.8 7.000 680 450 A 35 VAL HG1% A 73 TYR HE% 1.0 1.8 4.000 681 450 A 73 TYR HE% A 35 VAL HG2% 1.0 1.8 4.000 682 451 A 79 ILE HG2% A 73 TYR HD% 1.0 1.8 4.500 683 452 A 79 ILE HG2% A 73 TYR HE% 1.0 1.8 4.000 684 453 A 79 ILE HG2% A 35 VAL HG1% 1.0 1.8 4.000 685 454 A 15 TYR HDx A 42 LEU HD1% 1.0 1.8 6.500 686 454 A 15 TYR HDy A 42 LEU HD1% 1.0 1.8 6.500 687 454 A 42 LEU HD2% A 15 TYR HDx 1.0 1.8 6.500 688 454 A 42 LEU HD2% A 15 TYR HDy 1.0 1.8 6.500 689 455 A 42 LEU HD2% A 15 TYR HEy 1.0 1.8 4.000 690 455 A 15 TYR HEy A 42 LEU HD1% 1.0 1.8 4.000 691 455 A 15 TYR HEx A 42 LEU HD1% 1.0 1.8 4.000 692 455 A 42 LEU HD2% A 15 TYR HEx 1.0 1.8 4.000 693 456 A 94 TYR HDx A 42 LEU HD1% 1.0 1.8 4.500 694 456 A 42 LEU HD2% A 94 TYR HDy 1.0 1.8 4.500 695 456 A 42 LEU HD2% A 94 TYR HDx 1.0 1.8 4.500 696 456 A 94 TYR HDy A 42 LEU HD1% 1.0 1.8 4.500 697 457 A 42 LEU HD2% A 94 TYR HEx 1.0 1.8 4.000 698 457 A 94 TYR HEy A 42 LEU HD1% 1.0 1.8 4.000 699 457 A 94 TYR HEx A 42 LEU HD1% 1.0 1.8 4.000 700 457 A 42 LEU HD2% A 94 TYR HEy 1.0 1.8 4.000 701 458 A 19 ILE HD1% A 42 LEU HD2% 1.0 1.8 4.000 702 458 A 19 ILE HD1% A 42 LEU HD1% 1.0 1.8 4.000 703 459 A 19 ILE HG2% A 42 LEU HBx 1.0 1.8 5.000 704 459 A 19 ILE HG2% A 42 LEU HBy 1.0 1.8 5.000 705 460 A 90 ILE HG2% A 42 LEU HD2% 1.0 1.8 6.000 706 460 A 90 ILE HG2% A 42 LEU HD1% 1.0 1.8 6.000 707 461 A 42 LEU HD2% A 91 VAL HG1% 1.0 1.8 4.000 708 461 A 91 VAL HG2% A 42 LEU HD1% 1.0 1.8 4.000 709 461 A 42 LEU HD1% A 91 VAL HG1% 1.0 1.8 4.000 710 461 A 91 VAL HG2% A 42 LEU HD2% 1.0 1.8 4.000 711 462 A 45 LEU HD2% A 91 VAL HG1% 1.0 1.8 4.000 712 462 A 91 VAL HG2% A 45 LEU HD1% 1.0 1.8 4.000 713 462 A 45 LEU HD1% A 91 VAL HG1% 1.0 1.8 4.000 714 462 A 45 LEU HD2% A 91 VAL HG2% 1.0 1.8 4.000 715 463 A 45 LEU HD2% A 42 LEU HD1% 1.0 1.8 4.000 716 463 A 42 LEU HD2% A 45 LEU HD1% 1.0 1.8 4.000 717 463 A 42 LEU HD1% A 45 LEU HD1% 1.0 1.8 4.000 718 463 A 45 LEU HD2% A 42 LEU HD2% 1.0 1.8 4.000 719 464 A 45 LEU HD2% A 49 VAL HGy% 1.0 1.8 4.000 720 464 A 45 LEU HD1% A 49 VAL HGy% 1.0 1.8 4.000 721 464 A 45 LEU HD2% A 49 VAL HGx% 1.0 1.8 4.000 722 464 A 49 VAL HGx% A 45 LEU HD1% 1.0 1.8 4.000 723 465 A 55 TYR HDx A 87 TYR HDy 1.0 1.8 4.500 724 465 A 55 TYR HDy A 87 TYR HDx 1.0 1.8 4.500 725 465 A 87 TYR HDy A 55 TYR HDy 1.0 1.8 4.500 726 465 A 55 TYR HDx A 87 TYR HDx 1.0 1.8 4.500 727 466 A 55 TYR HDx A 87 TYR HEx 1.0 1.8 4.000 728 466 A 87 TYR HEy A 55 TYR HDy 1.0 1.8 4.000 729 466 A 55 TYR HDx A 87 TYR HEy 1.0 1.8 4.000 730 466 A 55 TYR HDy A 87 TYR HEx 1.0 1.8 4.000 731 467 A 87 TYR HDy A 55 TYR HEy 1.0 1.8 4.000 732 467 A 55 TYR HEx A 87 TYR HDy 1.0 1.8 4.000 733 467 A 55 TYR HEx A 87 TYR HDx 1.0 1.8 4.000 734 467 A 55 TYR HEy A 87 TYR HDx 1.0 1.8 4.000 735 468 A 87 TYR HEy A 55 TYR HEy 1.0 1.8 4.000 736 468 A 55 TYR HEx A 87 TYR HEx 1.0 1.8 4.000 737 468 A 55 TYR HEx A 87 TYR HEy 1.0 1.8 4.000 738 468 A 55 TYR HEy A 87 TYR HEx 1.0 1.8 4.000 739 469 A 45 LEU HD1% A 55 TYR HDy 1.0 1.8 6.000 740 469 A 45 LEU HD2% A 55 TYR HDy 1.0 1.8 6.000 741 469 A 55 TYR HDx A 45 LEU HD1% 1.0 1.8 6.000 742 469 A 45 LEU HD2% A 55 TYR HDx 1.0 1.8 6.000 743 470 A 49 VAL HGx% A 55 TYR HDx 1.0 1.8 4.000 744 470 A 49 VAL HGx% A 55 TYR HDy 1.0 1.8 4.000 745 471 A 55 TYR HDx A 49 VAL HGy% 1.0 1.8 4.000 746 471 A 49 VAL HGy% A 55 TYR HDy 1.0 1.8 4.000 747 472 A 87 TYR HDy A 45 LEU HD1% 1.0 1.8 4.000 748 472 A 45 LEU HD2% A 87 TYR HDy 1.0 1.8 4.000 749 472 A 45 LEU HD2% A 87 TYR HDx 1.0 1.8 4.000 750 472 A 45 LEU HD1% A 87 TYR HDx 1.0 1.8 4.000 751 473 A 87 TYR HEy A 45 LEU HD1% 1.0 1.8 4.000 752 473 A 45 LEU HD1% A 87 TYR HEx 1.0 1.8 4.000 753 473 A 45 LEU HD2% A 87 TYR HEx 1.0 1.8 4.000 754 473 A 45 LEU HD2% A 87 TYR HEy 1.0 1.8 4.000 755 474 A 35 VAL HG1% A 73 TYR HE% 1.0 1.8 4.000 756 475 A 19 ILE HD1% A 23 TRP HD1 1.0 1.8 7.000 757 476 A 19 ILE HD1% A 94 TYR HEx 1.0 1.8 4.000 758 476 A 19 ILE HD1% A 94 TYR HEy 1.0 1.8 4.000 759 477 A 15 TYR HEx A 42 LEU H 1.0 1.8 4.500 760 477 A 15 TYR HEy A 42 LEU H 1.0 1.8 4.500 761 478 A 73 TYR HE% A 40 LEU HD2% 1.0 1.8 6.000 762 478 A 73 TYR HE% A 40 LEU HD1% 1.0 1.8 6.000 763 479 A 88 GLU H A 87 TYR HDx 1.0 1.8 4.500 764 479 A 88 GLU H A 87 TYR HDy 1.0 1.8 4.500 765 480 A 32 ILE HG2% A 90 ILE HG2% 1.0 1.8 5.000 766 481 A 90 ILE HG2% A 32 ILE HD1% 1.0 1.8 5.000 767 482 A 90 ILE HG2% A 40 LEU HD2% 1.0 1.8 5.500 768 482 A 90 ILE HG2% A 40 LEU HD1% 1.0 1.8 5.500 769 483 A 92 TYR H A 87 TYR HDx 1.0 1.8 4.500 770 483 A 92 TYR H A 87 TYR HDy 1.0 1.8 4.500 771 484 A 71 LEU H A 73 TYR H 1.0 1.8 4.500 772 485 A 73 TYR H A 72 ASN H 1.0 1.8 4.000 773 486 A 68 ALA HB% A 73 TYR HD% 1.0 1.8 4.000 774 487 A 68 ALA HB% A 73 TYR HE% 1.0 1.8 4.000 775 488 A 73 TYR HD% A 74 PRO HD2 1.0 1.8 4.000 776 488 A 74 PRO HD3 A 73 TYR HD% 1.0 1.8 4.000 777 489 A 58 ILE HD1% A 87 TYR HDx 1.0 1.8 7.000 778 489 A 58 ILE HD1% A 87 TYR HDy 1.0 1.8 7.000 779 490 A 94 TYR HDy A 22 PHE HEy 1.0 1.8 4.000 780 491 A 94 TYR HEy A 22 PHE HDy 1.0 1.8 4.000 781 492 A 94 TYR HEy A 22 PHE HEy 1.0 1.8 4.500 782 493 A 94 TYR HDy A 22 PHE HDy 1.0 1.8 4.500 783 494 A 22 PHE HEx A 97 TYR HDy 1.0 1.8 4.000 784 494 A 22 PHE HEy A 97 TYR HDx 1.0 1.8 4.000 785 494 A 22 PHE HEy A 97 TYR HDy 1.0 1.8 4.000 786 494 A 97 TYR HDx A 22 PHE HEx 1.0 1.8 4.000 787 495 A 22 PHE HEy A 97 TYR HEy 1.0 1.8 4.500 788 495 A 22 PHE HEy A 97 TYR HEx 1.0 1.8 4.500 789 495 A 22 PHE HEx A 97 TYR HEy 1.0 1.8 4.500 790 495 A 97 TYR HEx A 22 PHE HEx 1.0 1.8 4.500 791 496 A 22 PHE HDy A 97 TYR HEy 1.0 1.8 4.000 792 496 A 97 TYR HEx A 22 PHE HDx 1.0 1.8 4.000 793 496 A 22 PHE HDx A 97 TYR HEy 1.0 1.8 4.000 794 496 A 22 PHE HDy A 97 TYR HEx 1.0 1.8 4.000 795 497 A 94 TYR HDx A 97 TYR HDx 1.0 1.8 4.000 796 498 A 94 TYR HEx A 97 TYR HEx 1.0 1.8 4.000 797 499 A 94 TYR HDx A 97 TYR HEx 1.0 1.8 4.500 798 500 A 97 TYR HDx A 94 TYR HEx 1.0 1.8 4.500 799 501 A 64 TRP HH2 A 55 TYR HEx 1.0 1.8 4.500 800 501 A 64 TRP HH2 A 55 TYR HEy 1.0 1.8 4.500 801 502 A 64 TRP HZ2 A 55 TYR HEx 1.0 1.8 4.000 802 502 A 64 TRP HZ2 A 55 TYR HEy 1.0 1.8 4.000 803 503 A 101 ALA H A 100 GLY H 1.0 1.8 4.000 804 504 A 102 ASN H A 103 LEU H 1.0 1.8 4.000 805 505 A 104 VAL H A 103 LEU H 1.0 1.8 4.500 806 506 A 108 ARG H A 110 PHE H 1.0 1.8 6.000 807 507 A 110 PHE H A 111 ASP H 1.0 1.8 4.000 808 508 A 112 ASN H A 113 GLU H 1.0 1.8 4.000 809 509 A 114 GLU H A 113 GLU H 1.0 1.8 4.000 810 510 A 114 GLU H A 115 LYS H 1.0 1.8 4.000 811 511 A 116 ASP H A 115 LYS H 1.0 1.8 4.000 812 512 A 110 PHE HEx A 92 TYR HDx 1.0 1.8 4.500 813 513 A 110 PHE HDx A 92 TYR HEx 1.0 1.8 4.500 814 514 A 110 PHE HEy A 92 TYR HDy 1.0 1.8 4.500 815 515 A 110 PHE HDy A 92 TYR HEy 1.0 1.8 4.500 816 516 A 110 PHE HDx A 96 MET HE% 1.0 1.8 5.000 817 516 A 110 PHE HDy A 96 MET HE% 1.0 1.8 5.000 818 517 A 95 GLU HA A 55 TYR HDx 1.0 1.8 6.500 819 517 A 95 GLU HA A 55 TYR HDy 1.0 1.8 6.500 820 518 A 95 GLU HA A 87 TYR HEx 1.0 1.8 5.000 821 518 A 95 GLU HA A 87 TYR HEy 1.0 1.8 5.000 822 519 A 95 GLU HBx A 55 TYR HDy 1.0 1.8 4.500 823 519 A 95 GLU HBx A 55 TYR HDx 1.0 1.8 4.500 824 520 A 95 GLU HBx A 87 TYR HDy 1.0 1.8 5.500 825 520 A 95 GLU HBx A 87 TYR HDx 1.0 1.8 5.500 826 521 A 110 PHE HDx A 95 GLU HGx 1.0 1.8 5.000 827 521 A 110 PHE HDy A 95 GLU HGx 1.0 1.8 5.000 828 522 A 50 VAL HGy% A 103 LEU HDx% 1.0 1.8 5.000 829 522 A 103 LEU HDy% A 50 VAL HGx% 1.0 1.8 5.000 830 522 A 50 VAL HGy% A 103 LEU HDy% 1.0 1.8 5.000 831 522 A 50 VAL HGx% A 103 LEU HDx% 1.0 1.8 5.000 832 523 A 96 MET HE% A 104 VAL HG1% 1.0 1.8 6.000 833 523 A 104 VAL HG2% A 96 MET HE% 1.0 1.8 6.000 834 524 A 99 SER HB2 A 104 VAL HG1% 1.0 1.8 6.000 835 524 A 99 SER HB3 A 104 VAL HG1% 1.0 1.8 6.000 836 524 A 104 VAL HG2% A 99 SER HB2 1.0 1.8 6.000 837 524 A 104 VAL HG2% A 99 SER HB3 1.0 1.8 6.000 838 525 A 104 VAL HG1% A 106 ASN HBx 1.0 1.8 6.000 839 525 A 104 VAL HG2% A 106 ASN HBx 1.0 1.8 6.000 840 525 A 106 ASN HBy A 104 VAL HG1% 1.0 1.8 6.000 841 525 A 104 VAL HG2% A 106 ASN HBy 1.0 1.8 6.000 842 526 A 106 ASN HD21 A 104 VAL HG1% 1.0 1.8 5.000 843 526 A 104 VAL HG2% A 106 ASN HD21 1.0 1.8 5.000 844 527 A 106 ASN HD22 A 104 VAL HG1% 1.0 1.8 6.500 845 527 A 104 VAL HG2% A 106 ASN HD22 1.0 1.8 6.500 846 528 A 106 ASN HD21 A 95 GLU HGy 1.0 1.8 5.000 847 528 A 106 ASN HD21 A 95 GLU HGx 1.0 1.8 5.000 848 529 A 106 ASN HD22 A 95 GLU HGy 1.0 1.8 5.000 849 529 A 106 ASN HD22 A 95 GLU HGx 1.0 1.8 5.000 850 530 A 107 THR HA A 104 VAL HG1% 1.0 1.8 5.000 851 530 A 104 VAL HG2% A 107 THR HA 1.0 1.8 5.000 852 531 A 107 THR HG2% A 104 VAL HG1% 1.0 1.8 4.000 853 531 A 104 VAL HG2% A 107 THR HG2% 1.0 1.8 4.000 854 531 A 104 VAL HG2% A 107 THR HG1 1.0 1.8 4.000 855 531 A 107 THR HG1 A 104 VAL HG1% 1.0 1.8 4.000 856 532 A 23 TRP HE1 A 30 LEU HDx% 1.0 1.8 4.000 857 533 A 23 TRP HE1 A 30 LEU HDy% 1.0 1.8 6.000 858 534 A 41 ASP H A 40 LEU HA 1.0 1.8 4.000 859 535 A 41 ASP H A 40 LEU HG 1.0 1.8 4.000 860 536 A 35 VAL HG1% A 71 LEU HDy% 1.0 1.8 6.000 861 536 A 35 VAL HG2% A 71 LEU HDy% 1.0 1.8 6.000 862 537 A 43 TYR HDx A 11 VAL HGx% 1.0 1.8 5.500 863 537 A 43 TYR HDy A 11 VAL HGx% 1.0 1.8 5.500 864 538 A 43 TYR HDx A 11 VAL HGy% 1.0 1.8 5.000 865 538 A 43 TYR HDy A 11 VAL HGy% 1.0 1.8 5.000 866 539 A 43 TYR HEx A 11 VAL HGx% 1.0 1.8 5.000 867 539 A 43 TYR HEy A 11 VAL HGx% 1.0 1.8 5.000 868 540 A 43 TYR HEx A 11 VAL HGy% 1.0 1.8 5.000 869 540 A 43 TYR HEy A 11 VAL HGy% 1.0 1.8 5.000 870 541 A 20 ALA HB% A 30 LEU HDy% 1.0 1.8 4.000 871 542 A 20 ALA HB% A 30 LEU HDx% 1.0 1.8 5.500 872 543 A 92 TYR HDx A 55 TYR HEx 1.0 1.8 4.500 873 544 A 92 TYR HDy A 55 TYR HDx 1.0 1.8 4.500 874 545 A 92 TYR HEx A 55 TYR HEx 1.0 1.8 4.000 875 546 A 92 TYR HEy A 55 TYR HDx 1.0 1.8 4.000 876 547 A 92 TYR HDx A 87 TYR HDy 1.0 1.8 4.500 877 548 A 92 TYR HDy A 87 TYR HEy 1.0 1.8 4.000 878 549 A 92 TYR HEx A 87 TYR HDy 1.0 1.8 6.000 879 550 A 92 TYR HEy A 87 TYR HEy 1.0 1.8 4.500 880 551 A 23 TRP HE3 A 28 SER HBx 1.0 1.8 4.000 881 551 A 28 SER HBy A 23 TRP HE3 1.0 1.8 4.000 882 552 A 23 TRP HZ3 A 28 SER HBx 1.0 1.8 4.000 883 552 A 23 TRP HZ3 A 28 SER HBy 1.0 1.8 4.000 884 553 A 26 GLN HB3 A 28 SER HBx 1.0 1.8 4.000 885 553 A 26 GLN HB2 A 28 SER HBx 1.0 1.8 4.000 886 553 A 28 SER HBy A 26 GLN HB2 1.0 1.8 4.000 887 553 A 26 GLN HB3 A 28 SER HBy 1.0 1.8 4.000 888 554 A 25 ILE HD1% A 29 SER HBx 1.0 1.8 7.000 889 554 A 25 ILE HD1% A 29 SER HBy 1.0 1.8 7.000 890 555 A 43 TYR HDx A 5 LEU HDx% 1.0 1.8 5.000 891 555 A 43 TYR HDy A 5 LEU HDx% 1.0 1.8 5.000 892 556 A 43 TYR HDx A 5 LEU HDy% 1.0 1.8 5.500 893 556 A 43 TYR HDy A 5 LEU HDy% 1.0 1.8 5.500 894 557 A 43 TYR HEx A 5 LEU HDx% 1.0 1.8 5.500 895 557 A 43 TYR HEy A 5 LEU HDx% 1.0 1.8 5.500 896 558 A 43 TYR HEx A 5 LEU HDy% 1.0 1.8 5.000 897 558 A 43 TYR HEy A 5 LEU HDy% 1.0 1.8 5.000 898 559 A 15 TYR HDx A 5 LEU HDx% 1.0 1.8 5.500 899 559 A 15 TYR HDy A 5 LEU HDx% 1.0 1.8 5.500 900 560 A 15 TYR HDx A 5 LEU HDy% 1.0 1.8 5.000 901 560 A 15 TYR HDy A 5 LEU HDy% 1.0 1.8 5.000 902 561 A 15 TYR HEx A 5 LEU HDx% 1.0 1.8 5.000 903 561 A 15 TYR HEy A 5 LEU HDx% 1.0 1.8 5.000 904 562 A 15 TYR HEy A 5 LEU HDy% 1.0 1.8 5.000 905 562 A 15 TYR HEx A 5 LEU HDy% 1.0 1.8 5.000 906 563 A 12 LYS HE3 A 5 LEU HDy% 1.0 1.8 5.000 907 563 A 5 LEU HDy% A 12 LYS HE2 1.0 1.8 5.000 908 564 A 12 LYS HA A 5 LEU HDy% 1.0 1.8 5.000 909 565 A 15 TYR HB3 A 5 LEU HDy% 1.0 1.8 5.000 910 565 A 5 LEU HDy% A 15 TYR HB2 1.0 1.8 5.000 911 566 A 19 ILE HG2% A 2 MET HE% 1.0 1.8 5.000 912 567 A 42 LEU HBy A 5 LEU HDx% 1.0 1.8 5.000 913 567 A 5 LEU HDx% A 42 LEU HBx 1.0 1.8 5.000 914 568 A 42 LEU HBy A 5 LEU HDy% 1.0 1.8 5.000 915 568 A 5 LEU HDy% A 42 LEU HBx 1.0 1.8 5.000 916 569 A 9 THR HG2% A 13 LEU HD1% 1.0 1.8 5.000 917 569 A 9 THR HG2% A 13 LEU HD2% 1.0 1.8 5.000 918 570 A 9 THR HB A 13 LEU HD1% 1.0 1.8 6.000 919 570 A 13 LEU HD2% A 9 THR HB 1.0 1.8 6.000 920 571 A 9 THR HB A 10 ARG HG2 1.0 1.8 6.000 921 571 A 9 THR HB A 10 ARG HG3 1.0 1.8 6.000 922 572 A 9 THR HA A 12 LYS HBx 1.0 1.8 5.000 923 573 A 8 GLN HB2 A 12 LYS HGx 1.0 1.8 5.000 924 573 A 8 GLN HB3 A 12 LYS HGx 1.0 1.8 5.000 925 573 A 12 LYS HGy A 8 GLN HB2 1.0 1.8 5.000 926 573 A 8 GLN HB3 A 12 LYS HGy 1.0 1.8 5.000 927 574 A 8 GLN HB3 A 12 LYS HE2 1.0 1.8 5.000 928 574 A 12 LYS HE3 A 8 GLN HB2 1.0 1.8 5.000 929 574 A 8 GLN HB3 A 12 LYS HE3 1.0 1.8 5.000 930 574 A 8 GLN HB2 A 12 LYS HE2 1.0 1.8 5.000 931 575 A 9 THR H A 8 GLN HB2 1.0 1.8 5.000 932 575 A 8 GLN HB3 A 9 THR H 1.0 1.8 5.000 933 576 A 7 ALA HB% A 8 GLN H 1.0 1.8 5.000 934 577 A 8 GLN HA A 9 THR H 1.0 1.8 5.000 935 578 A 8 GLN H A 12 LYS HBy 1.0 1.8 5.000 936 578 A 8 GLN H A 12 LYS HBx 1.0 1.8 5.000 937 579 A 82 LEU HBx A 35 VAL HG1% 1.0 1.8 4.500 938 579 A 82 LEU HBx A 35 VAL HG2% 1.0 1.8 4.500 939 580 A 35 VAL HG2% A 82 LEU HD2% 1.0 1.8 4.500 940 580 A 82 LEU HD1% A 35 VAL HG2% 1.0 1.8 4.500 941 580 A 35 VAL HG1% A 82 LEU HD2% 1.0 1.8 4.500 942 580 A 82 LEU HD1% A 35 VAL HG1% 1.0 1.8 4.500 943 581 A 39 ILE HG2% A 5 LEU HDy% 1.0 1.8 5.500 944 581 A 39 ILE HG2% A 5 LEU HDx% 1.0 1.8 5.500 945 582 A 39 ILE HD1% A 5 LEU HDy% 1.0 1.8 5.500 946 582 A 39 ILE HD1% A 5 LEU HDx% 1.0 1.8 5.500 947 583 A 39 ILE HD1% A 5 LEU HA 1.0 1.8 5.000 948 584 A 39 ILE HG2% A 5 LEU HA 1.0 1.8 5.000 949 585 A 39 ILE HD1% A 5 LEU HG 1.0 1.8 5.500 950 586 A 108 ARG HA A 110 PHE HDx 1.0 1.8 6.000 951 586 A 108 ARG HA A 110 PHE HDy 1.0 1.8 6.000 952 587 A 113 GLU HA A 60 LYS HE2 1.0 1.8 7.000 953 587 A 113 GLU HA A 60 LYS HE3 1.0 1.8 7.000 954 588 A 113 GLU HA A 56 GLU HG2 1.0 1.8 7.000 955 588 A 56 GLU HG3 A 113 GLU HA 1.0 1.8 7.000 956 589 A 116 ASP HA A 60 LYS HD2 1.0 1.8 7.000 957 589 A 116 ASP HA A 60 LYS HD3 1.0 1.8 7.000 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 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 17 ASP N A 13 LEU O 1.0 2.2 3.0 2 2 A 13 LEU O A 17 ASP H 1.0 1.6 2.0 3 3 A 18 GLN N A 14 ASN O 1.0 2.2 3.0 4 4 A 18 GLN H A 14 ASN O 1.0 1.6 2.0 5 5 A 19 ILE N A 15 TYR O 1.0 2.2 3.0 6 6 A 19 ILE H A 15 TYR O 1.0 1.6 2.0 7 7 A 20 ALA N A 16 LEU O 1.0 2.2 3.0 8 8 A 20 ALA H A 16 LEU O 1.0 1.6 2.0 9 9 A 21 LYS N A 17 ASP O 1.0 2.2 3.0 10 10 A 21 LYS H A 17 ASP O 1.0 1.6 2.0 11 11 A 22 PHE N A 18 GLN O 1.0 2.2 3.0 12 12 A 22 PHE H A 18 GLN O 1.0 1.6 2.0 13 13 A 46 SER N A 42 LEU O 1.0 2.2 3.0 14 14 A 46 SER H A 42 LEU O 1.0 1.6 2.0 15 15 A 47 LYS N A 43 TYR O 1.0 2.2 3.0 16 16 A 47 LYS H A 43 TYR O 1.0 1.6 2.0 17 17 A 48 ILE N A 44 SER O 1.0 2.2 3.0 18 18 A 48 ILE H A 44 SER O 1.0 1.6 2.0 19 19 A 49 VAL N A 45 LEU O 1.0 2.2 3.0 20 20 A 49 VAL H A 45 LEU O 1.0 1.6 2.0 21 21 A 50 VAL N A 46 SER O 1.0 2.2 3.0 22 22 A 50 VAL H A 46 SER O 1.0 1.6 2.0 23 23 A 51 GLU N A 47 LYS O 1.0 2.2 3.0 24 24 A 51 GLU H A 47 LYS O 1.0 1.6 2.0 25 25 A 52 GLU N A 48 ILE O 1.0 2.2 3.0 26 26 A 52 GLU H A 48 ILE O 1.0 1.6 2.0 27 27 A 59 CYS N A 55 TYR O 1.0 2.2 3.0 28 28 A 59 CYS H A 55 TYR O 1.0 1.6 2.0 29 29 A 60 LYS N A 56 GLU O 1.0 2.2 3.0 30 30 A 60 LYS H A 56 GLU O 1.0 1.6 2.0 31 31 A 61 ASP N A 57 ALA O 1.0 2.2 3.0 32 32 A 61 ASP H A 57 ALA O 1.0 1.6 2.0 33 33 A 68 ALA N A 64 TRP O 1.0 2.2 3.0 34 34 A 68 ALA H A 64 TRP O 1.0 1.6 2.0 35 35 A 69 GLN N A 65 ALA O 1.0 2.2 3.0 36 36 A 69 GLN H A 65 ALA O 1.0 1.6 2.0 37 37 A 70 ARG N A 66 ARG O 1.0 2.2 3.0 38 38 A 70 ARG H A 66 ARG O 1.0 1.6 2.0 39 39 A 71 LEU N A 67 VAL O 1.0 2.2 3.0 40 40 A 71 LEU H A 67 VAL O 1.0 1.6 2.0 41 41 A 84 ARG N A 80 GLY O 1.0 2.2 3.0 42 42 A 84 ARG H A 80 GLY O 1.0 1.6 2.0 43 43 A 85 SER N A 81 SER O 1.0 2.2 3.0 44 44 A 85 SER H A 81 SER O 1.0 1.6 2.0 45 45 A 86 HIS N A 82 LEU O 1.0 2.2 3.0 46 46 A 86 HIS H A 82 LEU O 1.0 1.6 2.0 47 47 A 87 TYR N A 83 LEU O 1.0 2.2 3.0 48 48 A 87 TYR H A 83 LEU O 1.0 1.6 2.0 49 49 A 97 TYR N A 93 PRO O 1.0 2.2 3.0 50 50 A 97 TYR H A 93 PRO O 1.0 1.6 2.0 51 51 A 98 GLN N A 94 TYR O 1.0 2.2 3.0 52 52 A 98 GLN H A 94 TYR O 1.0 1.6 2.0 53 53 A 99 SER N A 95 GLU O 1.0 2.2 3.0 54 54 A 99 SER H A 95 GLU O 1.0 1.6 2.0 55 55 A 100 GLY N A 96 MET O 1.0 2.2 3.0 56 56 A 100 GLY H A 96 MET O 1.0 1.6 2.0 57 57 A 101 ALA N A 97 TYR O 1.0 2.2 3.0 58 58 A 101 ALA H A 97 TYR O 1.0 1.6 2.0 59 59 A 102 ASN N A 98 GLN O 1.0 2.2 3.0 60 60 A 102 ASN H A 98 GLN O 1.0 1.6 2.0 61 61 A 103 LEU N A 99 SER O 1.0 2.2 3.0 62 62 A 103 LEU H A 99 SER O 1.0 1.6 2.0 63 63 A 113 GLU N A 109 PRO O 1.0 2.2 3.0 64 64 A 113 GLU H A 109 PRO O 1.0 1.6 2.0 65 65 A 114 GLU N A 110 PHE O 1.0 2.2 3.0 66 66 A 114 GLU H A 110 PHE O 1.0 1.6 2.0 67 67 A 115 LYS N A 111 ASP O 1.0 2.2 3.0 68 68 A 115 LYS H A 111 ASP O 1.0 1.6 2.0 69 69 A 35 VAL N A 38 ARG O 1.0 2.2 3.0 70 70 A 35 VAL H A 38 ARG O 1.0 1.6 2.0 71 71 A 38 ARG N A 35 VAL O 1.0 2.2 3.0 72 72 A 38 ARG H A 35 VAL O 1.0 1.6 2.0 73 73 A 40 LEU N A 33 PRO O 1.0 2.2 3.0 74 74 A 40 LEU H A 33 PRO O 1.0 1.6 2.0 75 75 A 6 GLU N A 2 MET O 1.0 2.2 3.0 76 76 A 2 MET O A 6 GLU H 1.0 1.6 2.0 77 77 A 7 ALA N A 3 ASN O 1.0 2.2 3.0 78 78 A 3 ASN O A 7 ALA H 1.0 1.6 2.0 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 1 SER C A 2 MET N A 2 MET CA A 2 MET C 1.0 -104.0 -24.0 PHI 2 2 A 2 MET N A 2 MET CA A 2 MET C A 3 ASN N 1.0 -80.0 0.0 PSI 3 3 A 2 MET C A 3 ASN N A 3 ASN CA A 3 ASN C 1.0 -104.0 -24.0 PHI 4 4 A 3 ASN N A 3 ASN CA A 3 ASN C A 4 GLU N 1.0 -80.0 0.0 PSI 5 5 A 3 ASN C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -104.0 -24.0 PHI 6 6 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 LEU N 1.0 -80.0 0.0 PSI 7 7 A 4 GLU C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -104.0 -24.0 PHI 8 8 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 GLU N 1.0 -80.0 0.0 PSI 9 9 A 5 LEU C A 6 GLU N A 6 GLU CA A 6 GLU C 1.0 -104.0 -24.0 PHI 10 10 A 6 GLU N A 6 GLU CA A 6 GLU C A 7 ALA N 1.0 -80.0 0.0 PSI 11 11 A 6 GLU C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -74.0 -14.0 PHI 12 12 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 GLN N 1.0 -94.0 -34.0 PSI 13 13 A 7 ALA C A 8 GLN N A 8 GLN CA A 8 GLN C 1.0 -107.0 -27.0 PHI 14 14 A 8 GLN N A 8 GLN CA A 8 GLN C A 9 THR N 1.0 -216.0 -136.0 PSI 15 15 A 8 GLN C A 9 THR N A 9 THR CA A 9 THR C 1.0 -152.0 -72.0 PHI 16 16 A 9 THR N A 9 THR CA A 9 THR C A 10 ARG N 1.0 129.0 209.0 PSI 17 17 A 9 THR C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 30.0 90.0 PHI 18 18 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 VAL N 1.0 10.0 70.0 PSI 19 19 A 10 ARG C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -108.0 -48.0 PHI 20 20 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 LYS N 1.0 -56.0 4.0 PSI 21 21 A 11 VAL C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -90.0 -30.0 PHI 22 22 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 LEU N 1.0 -70.0 -10.0 PSI 23 23 A 12 LYS C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -90.0 -30.0 PHI 24 24 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 ASN N 1.0 -70.0 -10.0 PSI 25 25 A 13 LEU C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 -97.0 -37.0 PHI 26 26 A 14 ASN N A 14 ASN CA A 14 ASN C A 15 TYR N 1.0 -67.0 -7.0 PSI 27 27 A 14 ASN C A 15 TYR N A 15 TYR CA A 15 TYR C 1.0 -97.0 -37.0 PHI 28 28 A 15 TYR N A 15 TYR CA A 15 TYR C A 16 LEU N 1.0 -69.0 -9.0 PSI 29 29 A 15 TYR C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -91.0 -31.0 PHI 30 30 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 ASP N 1.0 -69.0 -9.0 PSI 31 31 A 16 LEU C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -91.0 -31.0 PHI 32 32 A 17 ASP N A 17 ASP CA A 17 ASP C A 18 GLN N 1.0 -75.0 -15.0 PSI 33 33 A 17 ASP C A 18 GLN N A 18 GLN CA A 18 GLN C 1.0 -96.0 -36.0 PHI 34 34 A 18 GLN N A 18 GLN CA A 18 GLN C A 19 ILE N 1.0 -68.0 -8.0 PSI 35 35 A 18 GLN C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -94.0 -34.0 PHI 36 36 A 19 ILE N A 19 ILE CA A 19 ILE C A 20 ALA N 1.0 -72.0 -12.0 PSI 37 37 A 19 ILE C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -93.0 -33.0 PHI 38 38 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 LYS N 1.0 -68.0 -8.0 PSI 39 39 A 20 ALA C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -96.0 -36.0 PHI 40 40 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 PHE N 1.0 -71.0 -11.0 PSI 41 41 A 21 LYS C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -94.0 -34.0 PHI 42 42 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 TRP N 1.0 -70.0 -10.0 PSI 43 43 A 22 PHE C A 23 TRP N A 23 TRP CA A 23 TRP C 1.0 -103.0 -23.0 PHI 44 44 A 23 TRP N A 23 TRP CA A 23 TRP C A 24 GLU N 1.0 -78.0 2.0 PSI 45 45 A 23 TRP C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -94.0 -34.0 PHI 46 46 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 ILE N 1.0 -70.0 -10.0 PSI 47 47 A 24 GLU C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -103.0 -23.0 PHI 48 48 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 GLN N 1.0 -78.0 2.0 PSI 49 49 A 27 GLY C A 28 SER N A 28 SER CA A 28 SER C 1.0 -148.0 -68.0 PHI 50 50 A 28 SER N A 28 SER CA A 28 SER C A 29 SER N 1.0 108.0 188.0 PSI 51 51 A 29 SER C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -138.0 -58.0 PHI 52 52 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 LYS N 1.0 84.0 164.0 PSI 53 53 A 30 LEU C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -143.0 -63.0 PHI 54 54 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 ILE N 1.0 78.0 158.0 PSI 55 55 A 31 LYS C A 32 ILE N A 32 ILE CA A 32 ILE C 1.0 -138.0 -58.0 PHI 56 56 A 32 ILE N A 32 ILE CA A 32 ILE C A 33 PRO N 1.0 81.0 161.0 PSI 57 57 A 33 PRO C A 34 ASN N A 34 ASN CA A 34 ASN C 1.0 -139.0 -79.0 PHI 58 58 A 34 ASN N A 34 ASN CA A 34 ASN C A 35 VAL N 1.0 103.0 163.0 PSI 59 59 A 34 ASN C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -155.0 -95.0 PHI 60 60 A 35 VAL N A 35 VAL CA A 35 VAL C A 36 GLU N 1.0 104.0 164.0 PSI 61 61 A 35 VAL C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 60.0 120.0 PHI 62 62 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 ARG N 1.0 -41.0 19.0 PSI 63 63 A 36 GLU C A 37 ARG N A 37 ARG CA A 37 ARG C 1.0 60.0 120.0 PHI 64 64 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 ARG N 1.0 -41.0 19.0 PSI 65 65 A 37 ARG C A 38 ARG N A 38 ARG CA A 38 ARG C 1.0 -142.0 -82.0 PHI 66 66 A 38 ARG N A 38 ARG CA A 38 ARG C A 39 ILE N 1.0 108.0 168.0 PSI 67 67 A 38 ARG C A 39 ILE N A 39 ILE CA A 39 ILE C 1.0 -126.0 -66.0 PHI 68 68 A 39 ILE N A 39 ILE CA A 39 ILE C A 40 LEU N 1.0 95.0 155.0 PSI 69 69 A 39 ILE C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -129.0 -69.0 PHI 70 70 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 ASP N 1.0 91.0 151.0 PSI 71 71 A 40 LEU C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -133.0 -73.0 PHI 72 72 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 LEU N 1.0 80.0 140.0 PSI 73 73 A 42 LEU C A 43 TYR N A 43 TYR CA A 43 TYR C 1.0 -91.0 -31.0 PHI 74 74 A 43 TYR N A 43 TYR CA A 43 TYR C A 44 SER N 1.0 -73.0 -13.0 PSI 75 75 A 43 TYR C A 44 SER N A 44 SER CA A 44 SER C 1.0 -96.0 -36.0 PHI 76 76 A 44 SER N A 44 SER CA A 44 SER C A 45 LEU N 1.0 -67.0 -7.0 PSI 77 77 A 44 SER C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -97.0 -37.0 PHI 78 78 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 SER N 1.0 -66.0 -6.0 PSI 79 79 A 45 LEU C A 46 SER N A 46 SER CA A 46 SER C 1.0 -93.0 -33.0 PHI 80 80 A 46 SER N A 46 SER CA A 46 SER C A 47 LYS N 1.0 -71.0 -11.0 PSI 81 81 A 46 SER C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -96.0 -36.0 PHI 82 82 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 ILE N 1.0 -68.0 -8.0 PSI 83 83 A 47 LYS C A 48 ILE N A 48 ILE CA A 48 ILE C 1.0 -99.0 -39.0 PHI 84 84 A 48 ILE N A 48 ILE CA A 48 ILE C A 49 VAL N 1.0 -70.0 -10.0 PSI 85 85 A 48 ILE C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -93.0 -33.0 PHI 86 86 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 VAL N 1.0 -76.0 -16.0 PSI 87 87 A 49 VAL C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -90.0 -30.0 PHI 88 88 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 GLU N 1.0 -73.0 -13.0 PSI 89 89 A 50 VAL C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -97.0 -37.0 PHI 90 90 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 GLU N 1.0 -57.0 3.0 PSI 91 91 A 51 GLU C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -119.0 -59.0 PHI 92 92 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 GLY N 1.0 -32.0 28.0 PSI 93 93 A 52 GLU C A 53 GLY N A 53 GLY CA A 53 GLY C 1.0 30.0 110.0 PHI 94 94 A 53 GLY N A 53 GLY CA A 53 GLY C A 54 GLY N 1.0 -10.0 70.0 PSI 95 95 A 53 GLY C A 54 GLY N A 54 GLY CA A 54 GLY C 1.0 -190.0 -130.0 PHI 96 96 A 54 GLY N A 54 GLY CA A 54 GLY C A 55 TYR N 1.0 80.0 140.0 PSI 97 97 A 54 GLY C A 55 TYR N A 55 TYR CA A 55 TYR C 1.0 -87.0 -27.0 PHI 98 98 A 55 TYR N A 55 TYR CA A 55 TYR C A 56 GLU N 1.0 -75.0 -15.0 PSI 99 99 A 55 TYR C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -92.0 -32.0 PHI 100 100 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 ALA N 1.0 -68.0 -8.0 PSI 101 101 A 56 GLU C A 57 ALA N A 57 ALA CA A 57 ALA C 1.0 -97.0 -37.0 PHI 102 102 A 57 ALA N A 57 ALA CA A 57 ALA C A 58 ILE N 1.0 -71.0 -11.0 PSI 103 103 A 57 ALA C A 58 ILE N A 58 ILE CA A 58 ILE C 1.0 -92.0 -32.0 PHI 104 104 A 58 ILE N A 58 ILE CA A 58 ILE C A 59 CYS N 1.0 -75.0 -15.0 PSI 105 105 A 58 ILE C A 59 CYS N A 59 CYS CA A 59 CYS C 1.0 -91.0 -31.0 PHI 106 106 A 59 CYS N A 59 CYS CA A 59 CYS C A 60 LYS N 1.0 -73.0 -13.0 PSI 107 107 A 59 CYS C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -96.0 -36.0 PHI 108 108 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 ASP N 1.0 -59.0 1.0 PSI 109 109 A 60 LYS C A 61 ASP N A 61 ASP CA A 61 ASP C 1.0 -122.0 -62.0 PHI 110 110 A 61 ASP N A 61 ASP CA A 61 ASP C A 62 ARG N 1.0 -59.0 1.0 PSI 111 111 A 61 ASP C A 62 ARG N A 62 ARG CA A 62 ARG C 1.0 62.0 122.0 PHI 112 112 A 62 ARG N A 62 ARG CA A 62 ARG C A 63 ARG N 1.0 -19.0 41.0 PSI 113 113 A 62 ARG C A 63 ARG N A 63 ARG CA A 63 ARG C 1.0 -130.0 -70.0 PHI 114 114 A 63 ARG N A 63 ARG CA A 63 ARG C A 64 TRP N 1.0 -20.0 40.0 PSI 115 115 A 63 ARG C A 64 TRP N A 64 TRP CA A 64 TRP C 1.0 -90.0 -30.0 PHI 116 116 A 64 TRP N A 64 TRP CA A 64 TRP C A 65 ALA N 1.0 -68.0 -8.0 PSI 117 117 A 64 TRP C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -93.0 -33.0 PHI 118 118 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 ARG N 1.0 -67.0 -7.0 PSI 119 119 A 65 ALA C A 66 ARG N A 66 ARG CA A 66 ARG C 1.0 -96.0 -36.0 PHI 120 120 A 66 ARG N A 66 ARG CA A 66 ARG C A 67 VAL N 1.0 -68.0 -8.0 PSI 121 121 A 66 ARG C A 67 VAL N A 67 VAL CA A 67 VAL C 1.0 -92.0 -32.0 PHI 122 122 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 ALA N 1.0 -72.0 -12.0 PSI 123 123 A 67 VAL C A 68 ALA N A 68 ALA CA A 68 ALA C 1.0 -96.0 -36.0 PHI 124 124 A 68 ALA N A 68 ALA CA A 68 ALA C A 69 GLN N 1.0 -62.0 -2.0 PSI 125 125 A 68 ALA C A 69 GLN N A 69 GLN CA A 69 GLN C 1.0 -94.0 -34.0 PHI 126 126 A 69 GLN N A 69 GLN CA A 69 GLN C A 70 ARG N 1.0 -73.0 -13.0 PSI 127 127 A 69 GLN C A 70 ARG N A 70 ARG CA A 70 ARG C 1.0 -97.0 -37.0 PHI 128 128 A 70 ARG N A 70 ARG CA A 70 ARG C A 71 LEU N 1.0 -55.0 5.0 PSI 129 129 A 70 ARG C A 71 LEU N A 71 LEU CA A 71 LEU C 1.0 -101.0 -41.0 PHI 130 130 A 71 LEU N A 71 LEU CA A 71 LEU C A 72 ASN N 1.0 -50.0 10.0 PSI 131 131 A 71 LEU C A 72 ASN N A 72 ASN CA A 72 ASN C 1.0 50.0 130.0 PHI 132 132 A 72 ASN N A 72 ASN CA A 72 ASN C A 73 TYR N 1.0 -50.0 30.0 PSI 133 133 A 72 ASN C A 73 TYR N A 73 TYR CA A 73 TYR C 1.0 -134.0 -74.0 PHI 134 134 A 73 TYR N A 73 TYR CA A 73 TYR C A 74 PRO N 1.0 131.0 191.0 PSI 135 135 A 75 PRO C A 76 GLY N A 76 GLY CA A 76 GLY C 1.0 60.0 120.0 PHI 136 136 A 76 GLY N A 76 GLY CA A 76 GLY C A 77 LYS N 1.0 -40.0 20.0 PSI 137 137 A 76 GLY C A 77 LYS N A 77 LYS CA A 77 LYS C 1.0 50.0 130.0 PHI 138 138 A 77 LYS N A 77 LYS CA A 77 LYS C A 78 ASN N 1.0 -50.0 30.0 PSI 139 139 A 77 LYS C A 78 ASN N A 78 ASN CA A 78 ASN C 1.0 -114.0 -54.0 PHI 140 140 A 78 ASN N A 78 ASN CA A 78 ASN C A 79 ILE N 1.0 -56.0 4.0 PSI 141 141 A 78 ASN C A 79 ILE N A 79 ILE CA A 79 ILE C 1.0 -102.0 -42.0 PHI 142 142 A 79 ILE N A 79 ILE CA A 79 ILE C A 80 GLY N 1.0 -58.0 2.0 PSI 143 143 A 79 ILE C A 80 GLY N A 80 GLY CA A 80 GLY C 1.0 -97.0 -37.0 PHI 144 144 A 80 GLY N A 80 GLY CA A 80 GLY C A 81 SER N 1.0 -63.0 -3.0 PSI 145 145 A 80 GLY C A 81 SER N A 81 SER CA A 81 SER C 1.0 -94.0 -34.0 PHI 146 146 A 81 SER N A 81 SER CA A 81 SER C A 82 LEU N 1.0 -72.0 -12.0 PSI 147 147 A 81 SER C A 82 LEU N A 82 LEU CA A 82 LEU C 1.0 -95.0 -35.0 PHI 148 148 A 82 LEU N A 82 LEU CA A 82 LEU C A 83 LEU N 1.0 -69.0 -9.0 PSI 149 149 A 82 LEU C A 83 LEU N A 83 LEU CA A 83 LEU C 1.0 -93.0 -33.0 PHI 150 150 A 83 LEU N A 83 LEU CA A 83 LEU C A 84 ARG N 1.0 -73.0 -13.0 PSI 151 151 A 83 LEU C A 84 ARG N A 84 ARG CA A 84 ARG C 1.0 -92.0 -32.0 PHI 152 152 A 84 ARG N A 84 ARG CA A 84 ARG C A 85 SER N 1.0 -73.0 -13.0 PSI 153 153 A 84 ARG C A 85 SER N A 85 SER CA A 85 SER C 1.0 -90.0 -30.0 PHI 154 154 A 85 SER N A 85 SER CA A 85 SER C A 86 HIS N 1.0 -68.0 -8.0 PSI 155 155 A 85 SER C A 86 HIS N A 86 HIS CA A 86 HIS C 1.0 -93.0 -33.0 PHI 156 156 A 86 HIS N A 86 HIS CA A 86 HIS C A 87 TYR N 1.0 -72.0 -12.0 PSI 157 157 A 86 HIS C A 87 TYR N A 87 TYR CA A 87 TYR C 1.0 -91.0 -31.0 PHI 158 158 A 87 TYR N A 87 TYR CA A 87 TYR C A 88 GLU N 1.0 -72.0 -12.0 PSI 159 159 A 87 TYR C A 88 GLU N A 88 GLU CA A 88 GLU C 1.0 -95.0 -35.0 PHI 160 160 A 88 GLU N A 88 GLU CA A 88 GLU C A 89 ARG N 1.0 -65.0 -5.0 PSI 161 161 A 88 GLU C A 89 ARG N A 89 ARG CA A 89 ARG C 1.0 -117.0 -57.0 PHI 162 162 A 89 ARG N A 89 ARG CA A 89 ARG C A 90 ILE N 1.0 -61.0 -1.0 PSI 163 163 A 89 ARG C A 90 ILE N A 90 ILE CA A 90 ILE C 1.0 -123.0 -63.0 PHI 164 164 A 90 ILE N A 90 ILE CA A 90 ILE C A 91 VAL N 1.0 -56.0 4.0 PSI 165 165 A 90 ILE C A 91 VAL N A 91 VAL CA A 91 VAL C 1.0 -130.0 -70.0 PHI 166 166 A 91 VAL N A 91 VAL CA A 91 VAL C A 92 TYR N 1.0 -60.0 0.0 PSI 167 167 A 91 VAL C A 92 TYR N A 92 TYR CA A 92 TYR C 1.0 -89.0 -29.0 PHI 168 168 A 92 TYR N A 92 TYR CA A 92 TYR C A 93 PRO N 1.0 -71.0 -11.0 PSI 169 169 A 93 PRO N A 93 PRO CA A 93 PRO C A 94 TYR N 1.0 -67.0 -7.0 PSI 170 170 A 93 PRO C A 94 TYR N A 94 TYR CA A 94 TYR C 1.0 -93.0 -33.0 PHI 171 171 A 94 TYR N A 94 TYR CA A 94 TYR C A 95 GLU N 1.0 -70.0 -10.0 PSI 172 172 A 94 TYR C A 95 GLU N A 95 GLU CA A 95 GLU C 1.0 -89.0 -29.0 PHI 173 173 A 95 GLU N A 95 GLU CA A 95 GLU C A 96 MET N 1.0 -69.0 -9.0 PSI 174 174 A 95 GLU C A 96 MET N A 96 MET CA A 96 MET C 1.0 -94.0 -34.0 PHI 175 175 A 96 MET N A 96 MET CA A 96 MET C A 97 TYR N 1.0 -68.0 -8.0 PSI 176 176 A 96 MET C A 97 TYR N A 97 TYR CA A 97 TYR C 1.0 -97.0 -37.0 PHI 177 177 A 97 TYR N A 97 TYR CA A 97 TYR C A 98 GLN N 1.0 -70.0 -10.0 PSI 178 178 A 97 TYR C A 98 GLN N A 98 GLN CA A 98 GLN C 1.0 -102.0 -42.0 PHI 179 179 A 98 GLN N A 98 GLN CA A 98 GLN C A 99 SER N 1.0 -56.0 4.0 PSI 180 180 A 98 GLN C A 99 SER N A 99 SER CA A 99 SER C 1.0 -122.0 -62.0 PHI 181 181 A 99 SER N A 99 SER CA A 99 SER C A 100 GLY N 1.0 -42.0 18.0 PSI 182 182 A 99 SER C A 100 GLY N A 100 GLY CA A 100 GLY C 1.0 -122.0 -62.0 PHI 183 183 A 100 GLY N A 100 GLY CA A 100 GLY C A 101 ALA N 1.0 -42.0 18.0 PSI 184 184 A 100 GLY C A 101 ALA N A 101 ALA CA A 101 ALA C 1.0 -118.0 -58.0 PHI 185 185 A 101 ALA N A 101 ALA CA A 101 ALA C A 102 ASN N 1.0 -64.0 -4.0 PSI 186 186 A 101 ALA C A 102 ASN N A 102 ASN CA A 102 ASN C 1.0 -100.0 -40.0 PHI 187 187 A 102 ASN N A 102 ASN CA A 102 ASN C A 103 LEU N 1.0 -60.0 0.0 PSI 188 188 A 102 ASN C A 103 LEU N A 103 LEU CA A 103 LEU C 1.0 -180.0 -120.0 PHI 189 189 A 103 LEU N A 103 LEU CA A 103 LEU C A 104 VAL N 1.0 120.0 180.0 PSI 190 190 A 103 LEU C A 104 VAL N A 104 VAL CA A 104 VAL C 1.0 -150.0 -90.0 PHI 191 191 A 104 VAL N A 104 VAL CA A 104 VAL C A 105 CYS N 1.0 80.0 140.0 PSI 192 192 A 104 VAL C A 105 CYS N A 105 CYS CA A 105 CYS C 1.0 -130.0 -70.0 PHI 193 193 A 105 CYS N A 105 CYS CA A 105 CYS C A 106 ASN N 1.0 -27.0 33.0 PSI 194 194 A 105 CYS C A 106 ASN N A 106 ASN CA A 106 ASN C 1.0 -90.0 -30.0 PHI 195 195 A 106 ASN N A 106 ASN CA A 106 ASN C A 107 THR N 1.0 -40.0 20.0 PSI 196 196 A 106 ASN C A 107 THR N A 107 THR CA A 107 THR C 1.0 -110.0 -50.0 PHI 197 197 A 107 THR N A 107 THR CA A 107 THR C A 108 ARG N 1.0 -40.0 20.0 PSI 198 198 A 107 THR C A 108 ARG N A 108 ARG CA A 108 ARG C 1.0 -101.0 -41.0 PHI 199 199 A 108 ARG N A 108 ARG CA A 108 ARG C A 109 PRO N 1.0 -82.0 -22.0 PSI 200 200 A 109 PRO C A 110 PHE N A 110 PHE CA A 110 PHE C 1.0 -84.0 -24.0 PHI 201 201 A 110 PHE N A 110 PHE CA A 110 PHE C A 111 ASP N 1.0 -73.0 -13.0 PSI 202 202 A 110 PHE C A 111 ASP N A 111 ASP CA A 111 ASP C 1.0 -99.0 -19.0 PHI 203 203 A 111 ASP N A 111 ASP CA A 111 ASP C A 112 ASN N 1.0 -79.0 1.0 PSI 204 204 A 111 ASP C A 112 ASN N A 112 ASN CA A 112 ASN C 1.0 -99.0 -19.0 PHI 205 205 A 112 ASN N A 112 ASN CA A 112 ASN C A 113 GLU N 1.0 -79.0 1.0 PSI 206 206 A 112 ASN C A 113 GLU N A 113 GLU CA A 113 GLU C 1.0 -99.0 -19.0 PHI 207 207 A 113 GLU N A 113 GLU CA A 113 GLU C A 114 GLU N 1.0 -79.0 1.0 PSI 208 208 A 113 GLU C A 114 GLU N A 114 GLU CA A 114 GLU C 1.0 -99.0 -19.0 PHI 209 209 A 114 GLU N A 114 GLU CA A 114 GLU C A 115 LYS N 1.0 -79.0 1.0 PSI stop_ save_