data_nef_c36071_5xee 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 36070 PDB 5XEE 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 ALA start . . 2 A 2 GLU middle . . 3 A 3 GLN middle . . 4 A 4 SER middle . . 5 A 5 ASP middle . . 6 A 6 LYS middle . . 7 A 7 ASP middle . . 8 A 8 VAL middle . . 9 A 9 LYS middle . . 10 A 10 TYR middle . . 11 A 11 TYR middle . . 12 A 12 THR middle . . 13 A 13 LEU middle . . 14 A 14 GLU middle . . 15 A 15 GLU middle . . 16 A 16 ILE middle . . 17 A 17 GLN middle . . 18 A 18 LYS middle . . 19 A 19 HIS middle . . 20 A 20 LYS middle . . 21 A 21 ASP middle . . 22 A 22 SER middle . . 23 A 23 LYS middle . . 24 A 24 SER middle . . 25 A 25 THR middle . . 26 A 26 TRP middle . . 27 A 27 VAL middle . . 28 A 28 ILE middle . . 29 A 29 LEU middle . . 30 A 30 HIS middle . . 31 A 31 HIS middle . . 32 A 32 LYS middle . . 33 A 33 VAL middle . . 34 A 34 TYR middle . . 35 A 35 ASP middle . . 36 A 36 LEU middle . . 37 A 37 THR middle . . 38 A 38 LYS middle . . 39 A 39 PHE middle . . 40 A 40 LEU middle . . 41 A 41 GLU middle . . 42 A 42 GLU middle . . 43 A 43 PHE middle . . 44 A 44 PRO middle . false 45 A 45 GLY middle . false 46 A 46 GLY middle . false 47 A 47 GLU middle . . 48 A 48 GLU middle . . 49 A 49 VAL middle . . 50 A 50 LEU middle . . 51 A 51 ARG middle . . 52 A 52 GLU middle . . 53 A 53 GLN middle . . 54 A 54 ALA middle . . 55 A 55 GLY middle . false 56 A 56 GLY middle . false 57 A 57 ASP middle . . 58 A 58 ALA middle . . 59 A 59 THR middle . . 60 A 60 GLU middle . . 61 A 61 ASN middle . . 62 A 62 PHE middle . . 63 A 63 GLU middle . . 64 A 64 ASP middle . . 65 A 65 VAL middle . . 66 A 66 GLY middle . false 67 A 67 PHE middle . . 68 A 68 SER middle . . 69 A 69 THR middle . . 70 A 70 ASP middle . . 71 A 71 ALA middle . . 72 A 72 ARG middle . . 73 A 73 GLU middle . . 74 A 74 LEU middle . . 75 A 75 SER middle . . 76 A 76 LYS middle . . 77 A 77 LYS middle . . 78 A 78 TYR middle . . 79 A 79 ILE middle . . 80 A 80 ILE middle . . 81 A 81 GLY middle . false 82 A 82 GLU middle . . 83 A 83 LEU middle . . 84 A 84 HIS middle . . 85 A 85 PRO middle . false 86 A 86 ASP middle . . 87 A 87 ASP middle . . 88 A 88 ARG middle . . 89 A 89 SER middle . . 90 A 90 LYS middle . . 91 A 91 ILE middle . . 92 A 92 ALA middle . . 93 A 93 LYS middle . . 94 A 94 PRO middle . false 95 A 95 SER middle . . 96 A 96 GLU middle . . 97 A 97 THR middle . . 98 A 98 LEU end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 3 GLN HA H 1 4.298 . A 3 GLN HB2 H 1 1.604 0.006 A 3 GLN HGx H 1 2.294 0.005 A 3 GLN HGy H 1 2.360 . A 3 GLN C C 13 175.883 . A 3 GLN CA C 13 55.961 0.021 A 3 GLN CB C 13 29.550 . A 3 GLN CG C 13 33.788 . A 4 SER H H 1 8.533 0.013 A 4 SER HA H 1 4.414 0.009 A 4 SER HBx H 1 3.798 . A 4 SER HBy H 1 3.864 . A 4 SER HG H 1 4.928 0.003 A 4 SER C C 13 174.550 . A 4 SER CA C 13 58.249 0.037 A 4 SER CB C 13 63.813 0.042 A 4 SER N N 15 117.470 0.196 A 5 ASP H H 1 8.477 0.012 A 5 ASP HA H 1 4.120 0.011 A 5 ASP HB2 H 1 2.294 0.007 A 5 ASP C C 13 177.394 . A 5 ASP CA C 13 54.524 0.008 A 5 ASP CB C 13 40.940 0.068 A 5 ASP N N 15 122.676 0.192 A 6 LYS H H 1 8.267 0.005 A 6 LYS HA H 1 4.524 0.009 A 6 LYS HB2 H 1 1.947 . A 6 LYS HE2 H 1 2.562 . A 6 LYS CA C 13 56.326 . A 6 LYS N N 15 120.683 0.123 A 8 VAL HA H 1 4.637 0.014 A 8 VAL HB H 1 2.704 0.0 A 8 VAL C C 13 175.001 . A 8 VAL CB C 13 33.887 0.004 A 9 LYS H H 1 8.315 0.01 A 9 LYS HA H 1 4.032 0.022 A 9 LYS HBx H 1 1.502 0.027 A 9 LYS HBy H 1 2.172 0.012 A 9 LYS HD2 H 1 1.588 0.01 A 9 LYS HD3 H 1 1.598 . A 9 LYS HE2 H 1 2.490 0.024 A 9 LYS C C 13 176.248 . A 9 LYS CA C 13 58.398 0.016 A 9 LYS CD C 13 28.823 . A 9 LYS CE C 13 41.923 . A 9 LYS CG C 13 24.404 . A 9 LYS N N 15 121.252 0.182 A 10 TYR H H 1 8.208 0.013 A 10 TYR HA H 1 4.676 0.016 A 10 TYR HBy H 1 3.071 0.006 A 10 TYR HBx H 1 2.579 0.021 A 10 TYR HDx H 1 6.588 0.026 A 10 TYR HDy H 1 6.588 0.026 A 10 TYR HEx H 1 6.751 0.013 A 10 TYR HEy H 1 6.751 0.013 A 10 TYR C C 13 176.264 . A 10 TYR CA C 13 55.316 0.065 A 10 TYR CB C 13 41.184 0.041 A 10 TYR N N 15 120.990 0.071 A 11 TYR H H 1 8.763 0.012 A 11 TYR HA H 1 5.131 0.023 A 11 TYR HBx H 1 3.161 0.02 A 11 TYR HBy H 1 3.311 0.022 A 11 TYR HDx H 1 6.517 0.009 A 11 TYR HDy H 1 6.517 0.009 A 11 TYR HEx H 1 6.861 0.023 A 11 TYR HEy H 1 6.861 0.023 A 11 TYR C C 13 176.212 . A 11 TYR CA C 13 56.820 0.024 A 11 TYR CB C 13 42.774 0.006 A 11 TYR N N 15 118.651 0.114 A 12 THR H H 1 9.495 0.016 A 12 THR HA H 1 4.549 0.028 A 12 THR HB H 1 3.922 . A 12 THR HG1 H 1 1.126 0.002 A 12 THR HG2% H 1 0.882 0.023 A 12 THR C C 13 175.589 . A 12 THR CA C 13 60.536 0.017 A 12 THR CB C 13 70.629 0.017 A 12 THR CG2 C 13 22.088 . A 12 THR N N 15 115.644 0.155 A 13 LEU H H 1 9.717 0.024 A 13 LEU HA H 1 3.950 0.028 A 13 LEU HBx H 1 1.633 0.023 A 13 LEU HBy H 1 1.905 0.027 A 13 LEU HDx% H 1 0.774 0.017 A 13 LEU HDy% H 1 1.017 0.027 A 13 LEU HG H 1 2.170 0.009 A 13 LEU C C 13 175.874 . A 13 LEU CA C 13 58.380 0.035 A 13 LEU CB C 13 41.796 . A 13 LEU CD2 C 13 27.306 0.06 A 13 LEU N N 15 123.310 0.079 A 14 GLU H H 1 8.356 0.014 A 14 GLU HA H 1 4.938 0.022 A 14 GLU HB2 H 1 1.900 0.013 A 14 GLU HG2 H 1 2.299 0.014 A 14 GLU C C 13 176.660 . A 14 GLU CA C 13 56.829 0.002 A 14 GLU CB C 13 30.248 0.081 A 14 GLU N N 15 120.898 0.161 A 15 GLU H H 1 8.590 0.006 A 15 GLU HA H 1 4.137 0.018 A 15 GLU HB2 H 1 2.014 0.027 A 15 GLU HG2 H 1 2.180 0.004 A 15 GLU C C 13 177.136 . A 15 GLU CA C 13 56.938 0.019 A 15 GLU CB C 13 29.887 0.04 A 15 GLU CG C 13 36.266 0.011 A 15 GLU N N 15 122.400 0.018 A 16 ILE H H 1 8.196 0.009 A 16 ILE HA H 1 3.978 . A 16 ILE HB H 1 1.539 0.027 A 16 ILE HD1% H 1 0.798 0.02 A 16 ILE CA C 13 55.790 0.04 A 16 ILE CB C 13 41.850 . A 16 ILE CD1 C 13 12.385 0.041 A 16 ILE N N 15 122.452 0.187 A 17 GLN H H 1 8.484 . A 17 GLN C C 13 175.317 . A 17 GLN N N 15 120.462 . A 18 LYS HA H 1 4.151 . A 19 HIS H H 1 7.202 . A 19 HIS HA H 1 4.942 0.015 A 19 HIS HB2 H 1 3.067 . A 19 HIS HB3 H 1 3.067 . A 19 HIS HD1 H 1 6.926 0.008 A 19 HIS C C 13 176.481 . A 19 HIS CA C 13 56.926 0.0 A 19 HIS CB C 13 29.993 0.076 A 20 LYS H H 1 8.131 0.007 A 20 LYS HA H 1 3.978 0.0 A 20 LYS HB2 H 1 1.888 . A 20 LYS HD2 H 1 1.742 . A 20 LYS HG2 H 1 1.515 . A 20 LYS C C 13 176.130 . A 20 LYS CA C 13 62.489 0.003 A 20 LYS CB C 13 32.826 0.007 A 20 LYS N N 15 122.216 0.078 A 21 ASP H H 1 8.317 0.009 A 21 ASP HA H 1 4.233 0.008 A 21 ASP HBy H 1 2.682 . A 21 ASP HBx H 1 2.559 0.016 A 21 ASP C C 13 178.922 . A 21 ASP CA C 13 55.349 . A 21 ASP CB C 13 41.984 0.056 A 21 ASP N N 15 126.223 0.082 A 22 SER H H 1 7.981 0.011 A 22 SER HA H 1 3.861 0.013 A 22 SER HB2 H 1 4.098 0.026 A 22 SER HG H 1 6.870 0.016 A 22 SER C C 13 175.832 . A 22 SER CA C 13 61.178 0.031 A 22 SER CB C 13 62.986 0.023 A 22 SER N N 15 112.852 0.061 A 23 LYS H H 1 8.115 0.012 A 23 LYS HA H 1 4.110 0.02 A 23 LYS HBy H 1 2.020 0.013 A 23 LYS HBx H 1 1.939 . A 23 LYS HD2 H 1 1.329 . A 23 LYS HG2 H 1 1.673 0.018 A 23 LYS HG3 H 1 1.688 0.02 A 23 LYS HZ1 H 1 7.520 0.012 A 23 LYS HZ2 H 1 7.520 0.012 A 23 LYS HZ3 H 1 7.520 0.012 A 23 LYS C C 13 177.274 . A 23 LYS CA C 13 57.586 0.032 A 23 LYS CB C 13 32.323 0.039 A 23 LYS CD C 13 28.784 . A 23 LYS CE C 13 41.938 . A 23 LYS CG C 13 25.035 . A 23 LYS N N 15 121.128 0.107 A 24 SER H H 1 7.603 0.009 A 24 SER HA H 1 4.647 0.021 A 24 SER HB2 H 1 3.749 0.02 A 24 SER C C 13 173.317 . A 24 SER CA C 13 57.870 0.086 A 24 SER CB C 13 62.549 0.056 A 24 SER N N 15 114.031 0.09 A 25 THR H H 1 9.262 0.019 A 25 THR HA H 1 4.663 0.004 A 25 THR HB H 1 4.255 0.02 A 25 THR HG1 H 1 6.675 0.008 A 25 THR HG2% H 1 1.217 0.017 A 25 THR C C 13 172.811 . A 25 THR CA C 13 61.767 0.022 A 25 THR CB C 13 71.158 0.004 A 25 THR N N 15 124.684 0.078 A 26 TRP H H 1 8.841 0.034 A 26 TRP HA H 1 6.084 0.01 A 26 TRP HBy H 1 3.081 0.015 A 26 TRP HBx H 1 2.815 0.025 A 26 TRP HD1 H 1 6.856 0.026 A 26 TRP HE1 H 1 9.270 0.005 A 26 TRP HE3 H 1 7.773 0.026 A 26 TRP HZ2 H 1 7.515 0.015 A 26 TRP C C 13 175.944 . A 26 TRP CA C 13 52.594 0.03 A 26 TRP CB C 13 32.498 0.042 A 26 TRP N N 15 127.369 0.093 A 26 TRP NE1 N 15 126.038 0.033 A 27 VAL H H 1 8.904 0.015 A 27 VAL HA H 1 4.694 0.025 A 27 VAL HB H 1 2.014 0.004 A 27 VAL HGx% H 1 0.898 0.025 A 27 VAL HGy% H 1 0.780 0.019 A 27 VAL C C 13 173.553 . A 27 VAL CA C 13 59.371 0.05 A 27 VAL CB C 13 36.316 0.03 A 27 VAL CGy C 13 21.923 0.033 A 27 VAL CGx C 13 20.703 0.056 A 27 VAL N N 15 115.324 0.119 A 28 ILE H H 1 8.696 0.013 A 28 ILE HA H 1 5.183 0.018 A 28 ILE HB H 1 1.755 0.011 A 28 ILE HD1% H 1 0.854 0.008 A 28 ILE HG12 H 1 0.613 . A 28 ILE HG2% H 1 0.229 0.027 A 28 ILE C C 13 176.267 . A 28 ILE CA C 13 59.759 0.072 A 28 ILE CB C 13 39.781 . A 28 ILE CD1 C 13 12.537 0.13 A 28 ILE N N 15 122.844 0.099 A 29 LEU H H 1 9.263 0.013 A 29 LEU HA H 1 4.556 0.01 A 29 LEU HB2 H 1 1.596 0.024 A 29 LEU HD2% H 1 0.754 0.027 A 29 LEU HG H 1 1.401 0.018 A 29 LEU C C 13 178.986 . A 29 LEU CA C 13 54.843 . A 29 LEU CB C 13 42.678 . A 29 LEU N N 15 128.884 0.123 A 30 HIS H H 1 9.271 0.009 A 30 HIS HA H 1 4.867 0.025 A 30 HIS HBy H 1 3.215 0.008 A 30 HIS HBx H 1 2.283 . A 30 HIS HD1 H 1 6.826 0.027 A 30 HIS HD2 H 1 6.179 0.005 A 30 HIS HE1 H 1 8.299 . A 30 HIS HE2 H 1 7.767 . A 30 HIS C C 13 178.541 . A 30 HIS CA C 13 56.596 0.043 A 30 HIS CB C 13 30.579 0.0 A 30 HIS N N 15 125.938 0.119 A 31 HIS H H 1 8.306 0.02 A 31 HIS HA H 1 3.931 0.015 A 31 HIS HB2 H 1 2.454 0.027 A 31 HIS HD1 H 1 7.294 0.012 A 31 HIS HE1 H 1 7.766 0.014 A 31 HIS C C 13 176.337 . A 31 HIS CA C 13 57.656 0.025 A 31 HIS CB C 13 28.219 0.062 A 31 HIS N N 15 116.600 0.157 A 32 LYS H H 1 7.293 0.01 A 32 LYS HA H 1 4.023 0.019 A 32 LYS HB2 H 1 2.095 0.032 A 32 LYS HD2 H 1 1.593 0.008 A 32 LYS HE2 H 1 2.830 . A 32 LYS HGy H 1 1.236 0.023 A 32 LYS HGx H 1 1.187 0.019 A 32 LYS C C 13 173.967 . A 32 LYS CA C 13 56.687 . A 32 LYS CB C 13 32.195 . A 32 LYS N N 15 116.294 0.168 A 33 VAL H H 1 8.514 0.016 A 33 VAL HA H 1 4.676 0.021 A 33 VAL HB H 1 2.166 0.018 A 33 VAL HGx% H 1 0.700 0.027 A 33 VAL HGy% H 1 0.243 0.021 A 33 VAL C C 13 174.305 . A 33 VAL CA C 13 61.265 0.011 A 33 VAL CB C 13 32.349 0.023 A 33 VAL CG2 C 13 21.901 0.001 A 33 VAL N N 15 121.530 0.062 A 34 TYR H H 1 9.493 0.015 A 34 TYR HA H 1 4.934 0.009 A 34 TYR HB2 H 1 2.691 0.019 A 34 TYR HDx H 1 6.825 0.021 A 34 TYR HDy H 1 6.825 0.021 A 34 TYR HEx H 1 6.315 0.016 A 34 TYR HEy H 1 6.315 0.016 A 34 TYR C C 13 175.496 . A 34 TYR CA C 13 56.125 0.034 A 34 TYR CB C 13 41.365 0.056 A 34 TYR N N 15 125.707 0.128 A 35 ASP H H 1 8.439 0.014 A 35 ASP HA H 1 4.840 0.011 A 35 ASP HBx H 1 2.680 0.013 A 35 ASP HBy H 1 3.155 0.023 A 35 ASP C C 13 175.536 . A 35 ASP CA C 13 52.893 0.062 A 35 ASP CB C 13 40.060 . A 35 ASP N N 15 120.013 0.061 A 36 LEU H H 1 8.309 0.009 A 36 LEU HA H 1 4.016 0.018 A 36 LEU HBx H 1 1.760 0.021 A 36 LEU HBy H 1 2.145 0.008 A 36 LEU HDx% H 1 0.796 0.018 A 36 LEU HDy% H 1 0.247 0.019 A 36 LEU HG H 1 1.219 0.02 A 36 LEU C C 13 177.396 . A 36 LEU CA C 13 57.295 0.008 A 36 LEU CB C 13 42.463 0.07 A 36 LEU CD2 C 13 24.146 0.086 A 36 LEU N N 15 127.051 0.063 A 37 THR H H 1 8.173 0.014 A 37 THR HA H 1 3.752 0.023 A 37 THR HB H 1 4.345 0.025 A 37 THR HG1 H 1 7.056 0.012 A 37 THR HG2% H 1 1.235 0.024 A 37 THR C C 13 177.062 . A 37 THR CA C 13 67.418 0.056 A 37 THR CB C 13 69.119 . A 37 THR CG2 C 13 22.275 . A 37 THR N N 15 115.059 0.068 A 38 LYS H H 1 7.917 0.019 A 38 LYS HA H 1 4.423 0.01 A 38 LYS HB2 H 1 1.765 0.027 A 38 LYS HEy H 1 3.095 0.011 A 38 LYS HEx H 1 2.551 0.015 A 38 LYS HG2 H 1 1.271 0.022 A 38 LYS C C 13 178.497 . A 38 LYS CA C 13 58.575 0.075 A 38 LYS CB C 13 32.340 0.084 A 38 LYS N N 15 119.941 0.106 A 39 PHE H H 1 7.741 0.021 A 39 PHE HA H 1 3.691 0.026 A 39 PHE HB2 H 1 3.106 0.02 A 39 PHE HDx H 1 7.346 0.02 A 39 PHE HDy H 1 7.346 0.02 A 39 PHE C C 13 177.839 . A 39 PHE CA C 13 59.978 0.074 A 39 PHE CB C 13 38.755 0.022 A 39 PHE N N 15 122.475 0.137 A 40 LEU H H 1 8.521 0.015 A 40 LEU HA H 1 3.946 0.016 A 40 LEU HB2 H 1 1.993 0.026 A 40 LEU HDx% H 1 0.800 0.014 A 40 LEU HDy% H 1 0.626 0.009 A 40 LEU HG H 1 1.338 0.012 A 40 LEU C C 13 178.893 . A 40 LEU CA C 13 56.276 0.023 A 40 LEU CB C 13 41.584 0.042 A 40 LEU CD2 C 13 24.928 0.061 A 40 LEU N N 15 117.113 0.088 A 41 GLU H H 1 7.343 0.017 A 41 GLU HA H 1 3.857 0.024 A 41 GLU HB2 H 1 2.108 . A 41 GLU HGx H 1 2.333 0.01 A 41 GLU HGy H 1 2.540 0.03 A 41 GLU C C 13 178.626 . A 41 GLU CA C 13 59.663 0.002 A 41 GLU CB C 13 29.666 0.092 A 41 GLU CG C 13 36.257 . A 41 GLU N N 15 117.324 0.086 A 42 GLU H H 1 7.807 0.009 A 42 GLU HA H 1 3.964 0.01 A 42 GLU HBy H 1 2.034 0.025 A 42 GLU HBx H 1 1.620 0.023 A 42 GLU HG2 H 1 2.477 0.015 A 42 GLU C C 13 179.610 . A 42 GLU CA C 13 59.431 0.004 A 42 GLU CB C 13 30.326 0.025 A 42 GLU CG C 13 36.867 . A 42 GLU N N 15 119.303 0.109 A 43 PHE H H 1 8.476 0.025 A 43 PHE HA H 1 4.929 0.019 A 43 PHE HB2 H 1 2.488 0.021 A 43 PHE HDx H 1 6.853 0.026 A 43 PHE HDy H 1 6.853 0.026 A 43 PHE HEx H 1 6.850 0.02 A 43 PHE HEy H 1 6.850 0.02 A 43 PHE HZ H 1 6.884 0.0 A 43 PHE CA C 13 65.354 . A 43 PHE N N 15 121.453 0.146 A 44 PRO HA H 1 4.390 . A 44 PRO HG2 H 1 1.734 . A 44 PRO C C 13 178.363 0.043 A 44 PRO CA C 13 64.199 . A 44 PRO CB C 13 31.597 . A 45 GLY H H 1 8.402 0.015 A 45 GLY HAy H 1 4.029 . A 45 GLY HAx H 1 3.780 0.008 A 45 GLY C C 13 176.152 . A 45 GLY CA C 13 45.594 0.018 A 45 GLY N N 15 108.587 0.025 A 46 GLY H H 1 8.061 0.005 A 46 GLY HAy H 1 3.950 0.021 A 46 GLY HAx H 1 3.486 0.014 A 46 GLY C C 13 174.150 . A 46 GLY CA C 13 46.856 0.019 A 46 GLY N N 15 107.575 0.11 A 47 GLU H H 1 9.087 0.013 A 47 GLU HA H 1 3.766 0.021 A 47 GLU HB2 H 1 1.998 0.019 A 47 GLU HG2 H 1 1.967 0.02 A 47 GLU CA C 13 60.695 0.002 A 47 GLU N N 15 121.987 0.063 A 48 GLU H H 1 8.509 0.014 A 48 GLU HA H 1 3.907 0.02 A 48 GLU HG2 H 1 2.300 0.022 A 48 GLU C C 13 178.056 . A 48 GLU CA C 13 58.712 0.001 A 48 GLU CB C 13 29.165 . A 48 GLU CG C 13 36.298 . A 49 VAL H H 1 7.478 0.007 A 49 VAL HA H 1 3.748 0.03 A 49 VAL HB H 1 2.064 0.018 A 49 VAL HGx% H 1 0.151 0.002 A 49 VAL HGy% H 1 0.902 0.026 A 49 VAL C C 13 177.232 . A 49 VAL CA C 13 64.610 0.012 A 49 VAL CB C 13 31.708 0.076 A 49 VAL CG2 C 13 24.857 0.061 A 49 VAL N N 15 118.365 0.126 A 50 LEU H H 1 7.346 0.01 A 50 LEU HA H 1 3.897 0.011 A 50 LEU HB2 H 1 1.703 0.018 A 50 LEU HDx% H 1 1.021 0.019 A 50 LEU HDy% H 1 0.838 0.027 A 50 LEU HG H 1 1.220 0.014 A 50 LEU C C 13 176.825 . A 50 LEU CA C 13 55.611 0.005 A 50 LEU CDy C 13 24.106 0.037 A 50 LEU CDx C 13 21.090 0.061 A 50 LEU N N 15 119.413 0.081 A 51 ARG H H 1 7.624 0.007 A 51 ARG HA H 1 3.901 0.015 A 51 ARG HB2 H 1 1.711 0.016 A 51 ARG C C 13 176.435 . A 51 ARG CA C 13 57.586 . A 51 ARG CB C 13 30.888 0.011 A 51 ARG CD C 13 43.174 . A 51 ARG CG C 13 27.404 . A 51 ARG N N 15 117.951 0.033 A 52 GLU H H 1 8.501 0.006 A 52 GLU HA H 1 5.229 . A 52 GLU HB2 H 1 2.150 . A 52 GLU HG2 H 1 2.280 0.005 A 52 GLU C C 13 176.401 . A 52 GLU CA C 13 56.418 0.17 A 52 GLU CB C 13 30.413 0.001 A 52 GLU CG C 13 36.183 . A 52 GLU N N 15 122.275 0.061 A 53 GLN H H 1 8.717 0.005 A 53 GLN CA C 13 55.936 0.082 A 53 GLN CB C 13 29.539 0.04 A 53 GLN CG C 13 33.759 . A 53 GLN N N 15 122.018 0.085 A 54 ALA H H 1 8.484 0.003 A 54 ALA CA C 13 52.647 0.003 A 54 ALA CB C 13 19.345 0.041 A 54 ALA N N 15 125.884 0.002 A 55 GLY H H 1 8.483 0.005 A 55 GLY HAx H 1 3.892 0.012 A 55 GLY HAy H 1 4.947 0.006 A 55 GLY C C 13 174.667 . A 55 GLY CA C 13 45.371 0.073 A 55 GLY N N 15 108.652 0.056 A 56 GLY H H 1 8.194 0.008 A 56 GLY HA2 H 1 4.031 . A 56 GLY C C 13 173.771 . A 56 GLY CA C 13 44.678 0.072 A 56 GLY N N 15 108.642 0.101 A 57 ASP H H 1 8.360 0.006 A 57 ASP C C 13 176.153 0.006 A 57 ASP CA C 13 54.294 0.066 A 57 ASP CB C 13 41.338 0.053 A 57 ASP N N 15 120.421 0.065 A 58 ALA H H 1 8.350 0.003 A 58 ALA HA H 1 4.275 0.008 A 58 ALA HB% H 1 1.353 0.021 A 58 ALA C C 13 177.980 0.003 A 58 ALA CA C 13 52.861 0.029 A 58 ALA CB C 13 19.195 0.042 A 58 ALA N N 15 124.344 0.018 A 59 THR H H 1 8.179 0.009 A 59 THR HA H 1 4.177 0.017 A 59 THR HB H 1 4.951 0.011 A 59 THR HG2% H 1 1.210 0.008 A 59 THR C C 13 174.684 . A 59 THR CA C 13 62.248 0.06 A 59 THR CB C 13 69.616 0.009 A 59 THR CG2 C 13 21.662 . A 59 THR N N 15 112.942 0.091 A 60 GLU H H 1 8.328 0.016 A 60 GLU HA H 1 4.130 0.024 A 60 GLU HB2 H 1 2.157 0.001 A 60 GLU HG2 H 1 2.729 . A 60 GLU C C 13 175.825 . A 60 GLU CA C 13 56.700 0.024 A 60 GLU CB C 13 30.333 0.093 A 60 GLU CG C 13 36.255 . A 60 GLU N N 15 122.561 0.083 A 61 ASN H H 1 8.369 0.012 A 61 ASN HA H 1 4.959 0.02 A 61 ASN HB2 H 1 2.640 0.023 A 61 ASN HD21 H 1 7.663 0.019 A 61 ASN HD22 H 1 6.845 0.016 A 61 ASN CA C 13 53.208 . A 61 ASN CB C 13 39.058 . A 61 ASN N N 15 119.384 0.006 A 62 PHE H H 1 8.722 . A 62 PHE HA H 1 4.539 0.015 A 62 PHE HB2 H 1 2.633 0.016 A 62 PHE HDx H 1 6.641 0.02 A 62 PHE HDy H 1 6.641 0.02 A 62 PHE C C 13 176.276 . A 62 PHE CA C 13 54.605 0.003 A 62 PHE CB C 13 40.836 0.063 A 63 GLU H H 1 8.146 0.007 A 63 GLU HA H 1 4.023 0.009 A 63 GLU HB2 H 1 2.001 0.023 A 63 GLU HG2 H 1 1.533 . A 63 GLU C C 13 174.252 . A 63 GLU CA C 13 55.444 0.703 A 63 GLU CB C 13 33.059 0.103 A 63 GLU N N 15 120.634 0.083 A 64 ASP H H 1 8.301 0.006 A 64 ASP HA H 1 4.542 0.014 A 64 ASP HB2 H 1 2.627 0.019 A 64 ASP C C 13 176.441 . A 64 ASP CA C 13 55.113 . A 64 ASP CB C 13 41.128 0.089 A 64 ASP N N 15 122.547 0.094 A 65 VAL H H 1 8.055 0.014 A 65 VAL HA H 1 4.016 0.021 A 65 VAL HB H 1 2.045 0.023 A 65 VAL HGx% H 1 0.388 0.018 A 65 VAL HGy% H 1 0.854 0.025 A 65 VAL C C 13 176.736 . A 65 VAL CA C 13 62.568 0.025 A 65 VAL CB C 13 32.529 0.038 A 65 VAL CGy C 13 23.533 0.058 A 65 VAL CGx C 13 20.650 0.078 A 65 VAL N N 15 119.617 0.116 A 66 GLY H H 1 8.458 0.008 A 66 GLY HAx H 1 3.758 0.013 A 66 GLY HAy H 1 3.772 0.022 A 66 GLY C C 13 176.275 . A 66 GLY CA C 13 45.297 0.07 A 66 GLY N N 15 111.212 0.133 A 67 PHE H H 1 8.042 0.044 A 67 PHE HA H 1 4.530 0.014 A 67 PHE HB2 H 1 2.996 0.02 A 67 PHE HDx H 1 7.139 0.008 A 67 PHE HDy H 1 7.139 0.008 A 67 PHE HZ H 1 5.776 0.021 A 67 PHE C C 13 173.891 . A 67 PHE CA C 13 57.799 0.0 A 67 PHE CB C 13 39.838 . A 67 PHE N N 15 119.951 0.156 A 68 SER CA C 13 58.410 0.0 A 68 SER CB C 13 63.855 0.05 A 69 THR H H 1 8.296 0.013 A 69 THR HB H 1 3.876 0.0 A 69 THR C C 13 175.177 . A 69 THR CA C 13 63.226 0.043 A 69 THR CB C 13 69.619 0.092 A 69 THR CG2 C 13 21.893 . A 70 ASP H H 1 8.425 0.003 A 70 ASP HA H 1 4.503 0.026 A 70 ASP HBy H 1 2.676 0.022 A 70 ASP HBx H 1 2.546 0.02 A 70 ASP C C 13 177.295 . A 70 ASP CA C 13 55.883 0.072 A 70 ASP CB C 13 40.650 0.046 A 70 ASP N N 15 122.006 0.013 A 71 ALA H H 1 8.257 0.011 A 71 ALA HA H 1 4.076 0.012 A 71 ALA HB% H 1 1.234 0.022 A 71 ALA C C 13 178.938 . A 71 ALA CA C 13 54.395 0.0 A 71 ALA CB C 13 18.958 0.082 A 71 ALA N N 15 123.852 0.083 A 72 ARG H H 1 8.126 0.012 A 72 ARG HA H 1 3.725 0.017 A 72 ARG HB2 H 1 1.797 0.01 A 72 ARG HD2 H 1 3.097 0.019 A 72 ARG HG2 H 1 1.230 0.021 A 72 ARG C C 13 177.893 . A 72 ARG CA C 13 58.756 0.063 A 72 ARG CB C 13 29.788 0.002 A 72 ARG N N 15 118.248 0.079 A 73 GLU H H 1 7.078 0.015 A 73 GLU HA H 1 3.985 0.01 A 73 GLU HB2 H 1 1.801 0.011 A 73 GLU HGx H 1 2.092 . A 73 GLU HGy H 1 2.535 0.009 A 73 GLU C C 13 175.769 . A 73 GLU CA C 13 57.367 0.075 A 73 GLU CB C 13 30.387 0.028 A 73 GLU CG C 13 36.488 . A 73 GLU N N 15 117.731 0.104 A 74 LEU H H 1 8.278 0.018 A 74 LEU HA H 1 4.647 0.016 A 74 LEU HB2 H 1 1.890 0.016 A 74 LEU HD2% H 1 0.810 0.027 A 74 LEU CA C 13 54.944 . A 74 LEU CB C 13 39.302 . A 74 LEU N N 15 119.832 0.083 A 75 SER C C 13 175.850 . A 75 SER CA C 13 61.097 . A 76 LYS H H 1 7.480 0.013 A 76 LYS HA H 1 4.908 0.019 A 76 LYS HE2 H 1 3.222 0.007 A 76 LYS HZ1 H 1 6.860 0.027 A 76 LYS HZ2 H 1 6.860 0.027 A 76 LYS HZ3 H 1 6.860 0.027 A 76 LYS C C 13 178.589 . A 76 LYS CA C 13 58.684 0.08 A 76 LYS CB C 13 32.218 0.013 A 76 LYS N N 15 120.727 0.019 A 77 LYS H H 1 7.745 0.007 A 77 LYS HA H 1 3.968 0.005 A 77 LYS HD2 H 1 1.566 0.006 A 77 LYS HE2 H 1 2.819 . A 77 LYS HG2 H 1 1.096 0.021 A 77 LYS C C 13 176.798 . A 77 LYS CA C 13 57.934 0.046 A 77 LYS CB C 13 31.896 0.067 A 77 LYS N N 15 118.036 0.061 A 78 TYR H H 1 7.744 0.012 A 78 TYR HA H 1 4.493 0.017 A 78 TYR HBx H 1 2.056 0.017 A 78 TYR HBy H 1 2.680 0.013 A 78 TYR HDx H 1 7.215 0.009 A 78 TYR HDy H 1 7.215 0.009 A 78 TYR HEx H 1 6.865 0.022 A 78 TYR HEy H 1 6.865 0.022 A 78 TYR C C 13 174.195 . A 78 TYR CA C 13 58.219 0.069 A 78 TYR CB C 13 37.923 0.049 A 78 TYR N N 15 116.264 0.103 A 79 ILE H H 1 6.928 0.014 A 79 ILE HA H 1 3.777 0.022 A 79 ILE HB H 1 2.150 0.014 A 79 ILE HD1% H 1 0.697 0.027 A 79 ILE HG12 H 1 1.440 0.008 A 79 ILE HG2% H 1 0.186 0.022 A 79 ILE C C 13 177.734 . A 79 ILE CA C 13 62.310 0.017 A 79 ILE CB C 13 38.547 . A 79 ILE N N 15 120.727 0.075 A 80 ILE H H 1 8.854 0.014 A 80 ILE HA H 1 4.418 0.021 A 80 ILE HB H 1 2.267 0.013 A 80 ILE HD1% H 1 -1.069 0.012 A 80 ILE HG2% H 1 -0.457 0.01 A 80 ILE C C 13 175.780 . A 80 ILE CA C 13 60.813 0.004 A 80 ILE CG2 C 13 18.370 . A 80 ILE N N 15 122.807 0.093 A 81 GLY H H 1 7.445 0.012 A 81 GLY HAy H 1 4.255 0.016 A 81 GLY HAx H 1 4.029 0.019 A 81 GLY C C 13 170.980 . A 81 GLY CA C 13 45.430 0.104 A 81 GLY N N 15 110.557 0.135 A 82 GLU H H 1 9.052 0.01 A 82 GLU HA H 1 5.273 0.024 A 82 GLU HB2 H 1 1.591 0.009 A 82 GLU HG2 H 1 2.168 0.014 A 82 GLU C C 13 175.492 . A 82 GLU CA C 13 54.282 0.038 A 82 GLU CB C 13 34.692 0.075 A 82 GLU CG C 13 36.867 . A 82 GLU N N 15 117.858 0.056 A 83 LEU H H 1 8.848 0.014 A 83 LEU HA H 1 4.672 0.018 A 83 LEU HBy H 1 1.620 0.026 A 83 LEU HBx H 1 1.222 . A 83 LEU HDx% H 1 1.033 0.02 A 83 LEU HDy% H 1 0.757 0.026 A 83 LEU C C 13 177.017 . A 83 LEU CA C 13 54.504 0.013 A 83 LEU CB C 13 43.275 0.041 A 83 LEU CG C 13 27.545 . A 83 LEU N N 15 122.789 0.076 A 84 HIS H H 1 9.172 0.013 A 84 HIS HA H 1 4.578 0.002 A 84 HIS HBy H 1 2.766 0.002 A 84 HIS HBx H 1 2.574 0.018 A 84 HIS HD2 H 1 6.850 0.019 A 84 HIS HE1 H 1 8.277 . A 84 HIS CA C 13 56.888 . A 84 HIS CB C 13 31.951 . A 84 HIS N N 15 131.329 0.096 A 85 PRO HB2 H 1 2.149 . A 85 PRO HDx H 1 3.634 0.019 A 85 PRO HDy H 1 3.750 0.018 A 85 PRO HG2 H 1 1.560 0.027 A 85 PRO C C 13 178.620 . A 85 PRO CA C 13 65.987 0.036 A 85 PRO CB C 13 32.831 0.041 A 85 PRO CG C 13 27.420 . A 86 ASP H H 1 11.287 0.012 A 86 ASP HA H 1 4.412 0.022 A 86 ASP HB2 H 1 2.664 0.009 A 86 ASP C C 13 177.408 . A 86 ASP CA C 13 56.998 0.026 A 86 ASP CB C 13 39.803 0.05 A 86 ASP N N 15 121.281 0.08 A 87 ASP H H 1 8.217 0.01 A 87 ASP HA H 1 4.922 0.017 A 87 ASP HB2 H 1 2.568 0.02 A 87 ASP C C 13 177.305 . A 87 ASP CA C 13 54.601 0.079 A 87 ASP CB C 13 43.006 0.101 A 87 ASP N N 15 117.365 0.081 A 88 ARG H H 1 7.262 0.018 A 88 ARG HA H 1 3.960 0.016 A 88 ARG HBx H 1 1.650 0.029 A 88 ARG HBy H 1 1.948 0.022 A 88 ARG HDy H 1 3.070 0.0 A 88 ARG HDx H 1 2.653 . A 88 ARG HE H 1 6.848 0.022 A 88 ARG HGx H 1 0.954 0.016 A 88 ARG HGy H 1 2.277 . A 88 ARG C C 13 175.866 . A 88 ARG CA C 13 59.452 . A 88 ARG CB C 13 29.624 0.089 A 88 ARG N N 15 119.883 0.065 A 89 SER H H 1 8.444 0.01 A 89 SER HA H 1 4.574 0.021 A 89 SER HB2 H 1 3.921 0.021 A 89 SER C C 13 175.200 . A 89 SER CA C 13 59.433 0.088 A 89 SER CB C 13 63.209 0.423 A 89 SER N N 15 117.419 0.104 A 90 LYS H H 1 7.778 0.019 A 90 LYS HA H 1 4.930 0.021 A 90 LYS HD2 H 1 1.641 0.024 A 90 LYS HZ1 H 1 7.126 0.012 A 90 LYS HZ2 H 1 7.126 0.012 A 90 LYS HZ3 H 1 7.126 0.012 A 90 LYS C C 13 176.835 . A 90 LYS CA C 13 57.125 0.005 A 90 LYS CB C 13 33.170 0.027 A 90 LYS CD C 13 29.584 . A 90 LYS CE C 13 42.477 . A 90 LYS CG C 13 25.747 . A 90 LYS N N 15 121.268 0.142 A 91 ILE H H 1 7.495 0.013 A 91 ILE HA H 1 4.234 0.019 A 91 ILE HB H 1 1.899 0.02 A 91 ILE HD1% H 1 0.880 0.066 A 91 ILE HG12 H 1 1.342 0.005 A 91 ILE HG2% H 1 0.904 0.02 A 91 ILE C C 13 175.563 . A 91 ILE CA C 13 60.351 0.026 A 91 ILE CB C 13 38.456 0.009 A 91 ILE CD1 C 13 13.370 0.001 A 91 ILE CG1 C 13 26.946 . A 91 ILE CG2 C 13 17.861 . A 91 ILE N N 15 117.200 0.132 A 92 ALA H H 1 8.120 0.008 A 92 ALA HA H 1 4.236 0.019 A 92 ALA HB% H 1 1.368 0.033 A 92 ALA C C 13 177.327 . A 92 ALA CA C 13 52.431 0.017 A 92 ALA CB C 13 19.410 0.007 A 92 ALA N N 15 127.800 0.101 A 93 LYS H H 1 8.410 0.005 A 93 LYS HA H 1 4.953 0.01 A 93 LYS HD2 H 1 1.708 . A 93 LYS HG2 H 1 1.344 0.005 A 93 LYS CA C 13 54.202 0.052 A 93 LYS CB C 13 32.658 . A 93 LYS N N 15 122.352 0.118 A 94 PRO HA H 1 4.415 . A 94 PRO HG2 H 1 1.997 0.002 A 94 PRO C C 13 176.985 . A 94 PRO CA C 13 63.355 0.029 A 94 PRO CB C 13 32.141 0.099 A 94 PRO CD C 13 50.621 . A 94 PRO CG C 13 27.551 . A 95 SER H H 1 8.435 0.002 A 95 SER HA H 1 4.952 0.009 A 95 SER HB2 H 1 3.792 . A 95 SER C C 13 174.615 . A 95 SER CA C 13 58.509 0.015 A 95 SER CB C 13 63.837 0.053 A 95 SER N N 15 115.806 0.091 A 96 GLU H H 1 8.525 0.015 A 96 GLU HA H 1 4.163 0.02 A 96 GLU C C 13 176.312 . A 96 GLU CA C 13 56.533 0.113 A 96 GLU CB C 13 30.533 0.0 A 96 GLU CG C 13 36.420 . A 96 GLU N N 15 122.758 0.18 A 97 THR H H 1 8.271 0.009 A 97 THR HA H 1 4.247 0.024 A 97 THR HG2% H 1 1.174 0.017 A 97 THR C C 13 173.623 . A 97 THR CA C 13 61.828 0.02 A 97 THR CB C 13 69.944 0.074 A 97 THR CG2 C 13 21.519 . A 97 THR N N 15 116.094 0.006 A 98 LEU H H 1 8.055 0.008 A 98 LEU HA H 1 4.127 0.007 A 98 LEU HB2 H 1 1.520 . A 98 LEU HD2% H 1 0.828 . A 98 LEU HG H 1 1.158 . A 98 LEU CA C 13 56.814 0.041 A 98 LEU CB C 13 43.252 . A 98 LEU N N 15 131.045 0.159 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 4 SER H A 4 SER HBy 1.0 . 2.70 2 2 A 4 SER H A 4 SER HG 1.0 . 3.30 3 3 A 4 SER HG A 5 ASP H 1.0 . 4.50 4 4 A 5 ASP H A 5 ASP HA 1.0 . 2.95 5 5 A 5 ASP H A 3 GLN HBy 1.0 . 4.00 6 6 A 5 ASP HBy A 6 LYS H 1.0 . 4.98 7 7 A 5 ASP HA A 6 LYS H 1.0 . 4.47 8 8 A 6 LYS H A 6 LYS HA 1.0 . 2.90 9 9 A 6 LYS H A 6 LYS HB2 1.0 . 2.70 10 10 A 5 ASP H A 6 LYS H 1.0 . 4.35 11 11 A 6 LYS H A 3 GLN HGy 1.0 . 5.20 12 12 A 8 VAL HA A 9 LYS H 1.0 . 2.30 13 13 A 9 LYS H A 8 VAL HB 1.0 . 4.33 14 14 A 9 LYS H A 11 TYR H 1.0 . 5.95 15 15 A 9 LYS H A 9 LYS HA 1.0 . 3.10 16 16 A 9 LYS H A 81 GLY HAx 1.0 . 3.10 17 17 A 9 LYS H A 9 LYS HBx 1.0 . 3.10 18 18 A 9 LYS HBx A 10 TYR H 1.0 . 4.40 19 19 A 10 TYR H A 9 LYS HBy 1.0 . 3.70 20 20 A 9 LYS H A 10 TYR H 1.0 . 4.50 21 21 A 9 LYS HA A 10 TYR H 1.0 . 2.40 22 22 A 10 TYR H A 11 TYR HA 1.0 . 5.38 23 23 A 10 TYR H A 10 TYR HD% 1.0 . 2.50 24 24 A 10 TYR H A 10 TYR HA 1.0 . 3.20 25 25 A 10 TYR H A 10 TYR HBx 1.0 . 3.50 26 26 A 10 TYR H A 82 GLU HGy 1.0 . 4.60 27 27 A 81 GLY HAx A 10 TYR H 1.0 . 5.00 28 28 A 10 TYR H A 11 TYR HE% 1.0 . 6.00 29 29 A 10 TYR H A 84 HIS HD2 1.0 . 6.00 30 30 A 10 TYR H A 10 TYR HE% 1.0 . 5.30 31 31 A 10 TYR H A 10 TYR HBy 1.0 . 2.60 32 32 A 10 TYR H A 9 LYS HD3 1.0 . 5.80 33 32 A 10 TYR H A 9 LYS HD2 1.0 . 5.80 34 33 A 10 TYR H A 3 GLN HB2 1.0 . 5.80 35 34 A 11 TYR H A 10 TYR HA 1.0 . 2.20 36 35 A 11 TYR H A 10 TYR HBx 1.0 . 3.70 37 36 A 11 TYR H A 84 HIS HBy 1.0 . 5.70 38 37 A 11 TYR H A 82 GLU HBy 1.0 . 5.70 39 38 A 11 TYR H A 83 LEU HBx 1.0 . 5.90 40 39 A 11 TYR H A 82 GLU HGy 1.0 . 4.00 41 40 A 11 TYR H A 33 VAL HB 1.0 . 4.10 42 41 A 11 TYR H A 9 LYS HBy 1.0 . 5.20 43 42 A 11 TYR H A 83 LEU HA 1.0 . 3.20 44 43 A 11 TYR H A 83 LEU HDy% 1.0 . 4.80 45 44 A 11 TYR H A 33 VAL HGy% 1.0 . 5.80 46 45 A 11 TYR H A 81 GLY HAy 1.0 . 5.60 47 46 A 11 TYR H A 32 LYS HA 1.0 . 5.80 48 47 A 11 TYR H A 11 TYR HA 1.0 . 3.10 49 48 A 11 TYR H A 11 TYR HD% 1.0 . 3.40 50 49 A 11 TYR H A 11 TYR HE% 1.0 . 5.70 51 50 A 11 TYR H A 11 TYR HBy 1.0 . 3.40 52 51 A 11 TYR H A 12 THR HA 1.0 . 5.70 53 52 A 11 TYR H A 9 LYS HA 1.0 . 6.00 54 53 A 11 TYR H A 33 VAL HGy% 1.0 . 4.40 55 54 A 11 TYR H A 83 LEU HDy% 1.0 . 4.40 56 55 A 11 TYR H A 33 VAL HGy% 1.0 . 4.50 57 56 A 11 TYR H A 81 GLY HAy 1.0 . 5.80 58 57 A 11 TYR HE% A 12 THR H 1.0 . 5.50 59 58 A 11 TYR H A 12 THR H 1.0 . 4.65 60 59 A 11 TYR HA A 12 THR H 1.0 . 3.43 61 60 A 11 TYR HBy A 12 THR H 1.0 . 4.39 62 61 A 12 THR H A 14 GLU H 1.0 . 5.48 63 62 A 12 THR H A 15 GLU HGy 1.0 . 4.40 64 63 A 33 VAL HB A 12 THR H 1.0 . 5.90 65 64 A 12 THR H A 84 HIS H 1.0 . 4.75 66 65 A 12 THR HA A 12 THR H 1.0 . 3.10 67 66 A 12 THR H A 12 THR HG2% 1.0 . 3.45 68 67 A 12 THR H A 12 THR HG1 1.0 . 4.20 69 68 A 12 THR H A 12 THR HB 1.0 . 4.20 70 69 A 84 HIS HBy A 12 THR H 1.0 . 5.70 71 70 A 12 THR H A 13 LEU H 1.0 . 4.40 72 71 A 12 THR HG1 A 13 LEU H 1.0 . 3.95 73 72 A 12 THR HA A 13 LEU H 1.0 . 3.70 74 73 A 14 GLU H A 13 LEU H 1.0 . 2.80 75 74 A 83 LEU HDy% A 13 LEU H 1.0 . 5.50 76 75 A 84 HIS HBy A 13 LEU H 1.0 . 4.90 77 76 A 13 LEU H A 84 HIS HBx 1.0 . 5.70 78 77 A 84 HIS H A 13 LEU H 1.0 . 4.56 79 78 A 13 LEU H A 87 ASP HBy 1.0 . 3.10 80 79 A 13 LEU H A 88 ARG HA 1.0 . 5.20 81 80 A 13 LEU H A 83 LEU HBy 1.0 . 5.60 82 81 A 13 LEU H A 13 LEU HA 1.0 . 2.90 83 82 A 13 LEU H A 13 LEU HBx 1.0 . 2.40 84 83 A 13 LEU H A 13 LEU HBy 1.0 . 3.60 85 84 A 13 LEU H A 13 LEU HDy% 1.0 . 4.80 86 85 A 13 LEU H A 87 ASP HA 1.0 . 5.00 87 86 A 13 LEU H A 14 GLU HA 1.0 . 5.80 88 87 A 13 LEU H A 88 ARG HBy 1.0 . 6.00 89 88 A 83 LEU HDy% A 13 LEU H 1.0 . 2.80 90 89 A 13 LEU H A 13 LEU HDy% 1.0 . 3.80 91 90 A 13 LEU H A 91 ILE HD1% 1.0 . 4.20 92 91 A 13 LEU H A 16 ILE HD1% 1.0 . 4.80 93 92 A 14 GLU H A 13 LEU HBy 1.0 . 3.40 94 93 A 14 GLU H A 13 LEU HDy% 1.0 . 5.00 95 94 A 14 GLU H A 13 LEU HA 1.0 . 3.50 96 95 A 14 GLU H A 91 ILE HD1% 1.0 . 2.60 97 96 A 83 LEU HDy% A 14 GLU H 1.0 . 4.60 98 97 A 14 GLU H A 14 GLU HA 1.0 . 2.90 99 98 A 14 GLU H A 14 GLU HB2 1.0 . 2.20 100 99 A 14 GLU H A 16 ILE H 1.0 . 4.40 101 100 A 14 GLU H A 90 LYS HZ% 1.0 . 5.60 102 101 A 14 GLU H A 87 ASP HA 1.0 . 5.80 103 102 A 12 THR HA A 14 GLU H 1.0 . 4.60 104 103 A 14 GLU H A 16 ILE HD1% 1.0 . 5.90 105 104 A 14 GLU H A 15 GLU HA 1.0 . 5.50 106 105 A 14 GLU H A 15 GLU H 1.0 . 2.80 107 106 A 13 LEU HBx A 15 GLU H 1.0 . 5.50 108 107 A 15 GLU H A 14 GLU HBy 1.0 . 3.10 109 108 A 14 GLU HA A 15 GLU H 1.0 . 3.50 110 109 A 16 ILE H A 15 GLU H 1.0 . 2.80 111 110 A 13 LEU HBy A 15 GLU H 1.0 . 5.30 112 111 A 15 GLU HA A 15 GLU H 1.0 . 3.10 113 112 A 15 GLU H A 15 GLU HB2 1.0 . 2.40 114 113 A 16 ILE H A 15 GLU HA 1.0 . 3.50 115 114 A 16 ILE H A 55 GLY HAx 1.0 . 4.30 116 114 A 16 ILE H A 55 GLY HAy 1.0 . 4.30 117 115 A 16 ILE H A 16 ILE HB 1.0 . 2.70 118 116 A 14 GLU HA A 16 ILE H 1.0 . 4.40 119 117 A 14 GLU HA A 16 ILE H 1.0 . 4.40 120 118 A 19 HIS HA A 20 LYS H 1.0 . 4.50 121 119 A 20 LYS H A 19 HIS H 1.0 . 5.27 122 120 A 20 LYS H A 21 ASP H 1.0 . 4.21 123 121 A 20 LYS H A 20 LYS HDy 1.0 . 4.60 124 122 A 20 LYS H A 20 LYS HB2 1.0 . 2.80 125 123 A 20 LYS H A 20 LYS HA 1.0 . 3.00 126 124 A 20 LYS H A 18 LYS HA 1.0 . 4.80 127 125 A 21 ASP H A 20 LYS HA 1.0 . 4.19 128 126 A 19 HIS HA A 21 ASP H 1.0 . 3.50 129 127 A 21 ASP H A 23 LYS HDy 1.0 . 5.80 130 128 A 21 ASP H A 23 LYS H 1.0 . 4.60 131 129 A 21 ASP H A 21 ASP HA 1.0 . 3.10 132 130 A 21 ASP H A 22 SER HA 1.0 . 5.70 133 131 A 21 ASP H A 20 LYS HGy 1.0 . 5.30 134 132 A 21 ASP HA A 22 SER H 1.0 . 4.05 135 133 A 22 SER H A 40 LEU HDy% 1.0 . 5.10 136 134 A 22 SER HA A 22 SER H 1.0 . 3.20 137 135 A 22 SER H A 23 LYS HG3 1.0 . 3.90 138 136 A 22 SER H A 23 LYS HG2 1.0 . 4.90 139 137 A 22 SER H A 23 LYS HA 1.0 . 5.10 140 138 A 22 SER H A 22 SER HB2 1.0 . 3.10 141 139 A 23 LYS H A 22 SER H 1.0 . 2.70 142 140 A 22 SER H A 25 THR HG1 1.0 . 5.80 143 141 A 22 SER H A 47 GLU HGy 1.0 . 5.66 144 142 A 22 SER H A 23 LYS HBx 1.0 . 5.10 145 143 A 23 LYS H A 21 ASP HBx 1.0 . 4.53 146 144 A 23 LYS H A 22 SER HA 1.0 . 3.30 147 145 A 23 LYS H A 22 SER H 1.0 . 4.00 148 146 A 23 LYS H A 40 LEU HDy% 1.0 . 5.00 149 147 A 23 LYS H A 22 SER HB2 1.0 . 4.00 150 148 A 23 LYS H A 23 LYS HBy 1.0 . 3.50 151 149 A 23 LYS H A 23 LYS HG3 1.0 . 2.50 152 150 A 23 LYS H A 23 LYS HG2 1.0 . 3.50 153 151 A 23 LYS H A 23 LYS HA 1.0 . 3.10 154 152 A 23 LYS H A 23 LYS HZ% 1.0 . 5.70 155 153 A 21 ASP H A 23 LYS H 1.0 . 4.50 156 154 A 23 LYS H A 37 THR HG1 1.0 . 5.50 157 155 A 23 LYS H A 22 SER HG 1.0 . 5.00 158 156 A 23 LYS H A 25 THR HG1 1.0 . 5.40 159 157 A 19 HIS HA A 24 SER H 1.0 . 5.45 160 158 A 20 LYS H A 24 SER H 1.0 . 5.95 161 159 A 23 LYS H A 24 SER H 1.0 . 4.00 162 160 A 23 LYS HG3 A 24 SER H 1.0 . 3.10 163 161 A 23 LYS HG2 A 24 SER H 1.0 . 4.20 164 162 A 23 LYS HBx A 24 SER H 1.0 . 5.45 165 163 A 23 LYS HA A 24 SER H 1.0 . 3.78 166 164 A 22 SER HB2 A 24 SER H 1.0 . 5.45 167 165 A 24 SER H A 25 THR H 1.0 . 4.20 168 166 A 24 SER H A 19 HIS HB2 1.0 . 5.80 169 166 A 24 SER H A 19 HIS HB3 1.0 . 5.80 170 167 A 24 SER H A 24 SER HA 1.0 . 3.10 171 168 A 24 SER H A 24 SER HB2 1.0 . 3.20 172 169 A 24 SER H A 25 THR HA 1.0 . 5.78 173 170 A 24 SER H A 37 THR HA 1.0 . 5.78 174 171 A 21 ASP HBx A 24 SER H 1.0 . 3.78 175 172 A 23 LYS HDy A 24 SER H 1.0 . 3.78 176 173 A 24 SER H A 37 THR HG2% 1.0 . 5.90 177 174 A 24 SER H A 25 THR HG2% 1.0 . 6.00 178 175 A 25 THR H A 24 SER HA 1.0 . 5.50 179 176 A 25 THR H A 24 SER HBy 1.0 . 5.50 180 177 A 25 THR H A 26 TRP HD1 1.0 . 5.00 181 178 A 25 THR H A 25 THR HA 1.0 . 3.20 182 179 A 25 THR H A 25 THR HB 1.0 . 3.10 183 180 A 25 THR H A 25 THR HG2% 1.0 . 4.20 184 181 A 25 THR H A 37 THR HA 1.0 . 3.80 185 182 A 25 THR H A 37 THR HG2% 1.0 . 4.00 186 183 A 25 THR HG2% A 26 TRP H 1.0 . 4.92 187 184 A 26 TRP H A 36 LEU HG 1.0 . 5.80 188 185 A 25 THR HB A 26 TRP H 1.0 . 4.80 189 186 A 25 THR HA A 26 TRP H 1.0 . 2.20 190 187 A 25 THR H A 26 TRP H 1.0 . 4.30 191 188 A 19 HIS HB3 A 26 TRP H 1.0 . 3.80 192 189 A 26 TRP H A 19 HIS HB2 1.0 . 4.30 193 190 A 26 TRP H A 36 LEU HDy% 1.0 . 5.50 194 191 A 33 VAL HGy% A 26 TRP H 1.0 . 5.50 195 192 A 26 TRP H A 36 LEU HDx% 1.0 . 5.50 196 193 A 26 TRP H A 27 VAL HGy% 1.0 . 5.70 197 194 A 16 ILE HD1% A 26 TRP H 1.0 . 4.20 198 195 A 26 TRP H A 55 GLY HAx 1.0 . 4.70 199 196 A 26 TRP H A 55 GLY H 1.0 . 3.60 200 197 A 26 TRP HD1 A 26 TRP H 1.0 . 5.20 201 198 A 26 TRP H A 26 TRP HA 1.0 . 3.10 202 199 A 26 TRP H A 26 TRP HE3 1.0 . 4.20 203 200 A 26 TRP H A 26 TRP HBy 1.0 . 3.00 204 201 A 26 TRP H A 26 TRP HBx 1.0 . 4.00 205 202 A 40 LEU HDy% A 26 TRP H 1.0 . 5.80 206 203 A 26 TRP HE1 A 80 ILE HD1% 1.0 . 3.40 207 204 A 26 TRP HA A 27 VAL H 1.0 . 2.20 208 205 A 26 TRP HD1 A 27 VAL H 1.0 . 4.09 209 206 A 26 TRP HBy A 27 VAL H 1.0 . 4.32 210 207 A 26 TRP HBx A 27 VAL H 1.0 . 4.12 211 208 A 27 VAL H A 34 TYR H 1.0 . 3.70 212 209 A 27 VAL H A 34 TYR HD% 1.0 . 5.50 213 210 A 27 VAL H A 33 VAL HA 1.0 . 4.70 214 211 A 27 VAL H A 80 ILE HG2% 1.0 . 4.80 215 212 A 36 LEU HDy% A 27 VAL H 1.0 . 5.50 216 213 A 33 VAL HGy% A 27 VAL H 1.0 . 5.50 217 214 A 27 VAL H A 27 VAL HA 1.0 . 3.10 218 215 A 27 VAL H A 27 VAL HB 1.0 . 4.20 219 216 A 27 VAL HGy% A 27 VAL H 1.0 . 2.50 220 217 A 16 ILE HD1% A 27 VAL H 1.0 . 4.30 221 218 A 36 LEU HDy% A 27 VAL H 1.0 . 4.00 222 219 A 26 TRP H A 27 VAL H 1.0 . 4.40 223 220 A 36 LEU HG A 27 VAL H 1.0 . 4.80 224 221 A 25 THR HG2% A 27 VAL H 1.0 . 5.20 225 222 A 27 VAL HB A 28 ILE H 1.0 . 3.95 226 223 A 27 VAL HA A 28 ILE H 1.0 . 2.20 227 224 A 27 VAL H A 28 ILE H 1.0 . 4.30 228 225 A 28 ILE H A 29 LEU HD2% 1.0 . 5.75 229 226 A 27 VAL HGy% A 28 ILE H 1.0 . 3.45 230 227 A 16 ILE HD1% A 28 ILE H 1.0 . 4.50 231 228 A 13 LEU HDy% A 28 ILE H 1.0 . 5.70 232 229 A 36 LEU HDy% A 28 ILE H 1.0 . 5.70 233 230 A 28 ILE H A 58 ALA H 1.0 . 5.13 234 231 A 28 ILE H A 28 ILE HD1% 1.0 . 4.70 235 232 A 28 ILE H A 28 ILE HB 1.0 . 3.80 236 233 A 28 ILE H A 28 ILE HA 1.0 . 3.10 237 234 A 28 ILE H A 30 HIS H 1.0 . 5.80 238 235 A 83 LEU HBy A 28 ILE H 1.0 . 5.80 239 236 A 36 LEU HDy% A 28 ILE H 1.0 . 5.90 240 237 A 28 ILE H A 29 LEU HD11 1.0 . 5.90 241 238 A 33 VAL HGy% A 28 ILE H 1.0 . 5.50 242 239 A 33 VAL HA A 28 ILE H 1.0 . 4.80 243 240 A 28 ILE H A 29 LEU H 1.0 . 4.30 244 241 A 28 ILE HA A 29 LEU H 1.0 . 2.20 245 242 A 34 TYR HD% A 29 LEU H 1.0 . 5.50 246 243 A 83 LEU HBx A 29 LEU H 1.0 . 5.68 247 244 A 27 VAL HGy% A 29 LEU H 1.0 . 4.95 248 245 A 29 LEU H A 58 ALA HB% 1.0 . 3.70 249 246 A 29 LEU H A 32 LYS HB2 1.0 . 5.70 250 247 A 29 LEU H A 29 LEU HB2 1.0 . 3.70 251 248 A 29 LEU H A 29 LEU HA 1.0 . 3.20 252 249 A 29 LEU H A 29 LEU HG 1.0 . 4.00 253 250 A 30 HIS H A 29 LEU H 1.0 . 2.50 254 251 A 29 LEU H A 13 LEU HDx% 1.0 . 6.00 255 252 A 28 ILE HB A 30 HIS H 1.0 . 4.95 256 253 A 30 HIS H A 29 LEU HA 1.0 . 5.32 257 254 A 30 HIS H A 29 LEU H 1.0 . 3.70 258 255 A 29 LEU HD2% A 30 HIS H 1.0 . 6.00 259 256 A 30 HIS H A 31 HIS H 1.0 . 4.53 260 257 A 30 HIS H A 32 LYS HBy 1.0 . 5.29 261 258 A 34 TYR HD% A 30 HIS H 1.0 . 6.10 262 259 A 30 HIS H A 28 ILE HG2% 1.0 . 5.80 263 260 A 30 HIS H A 59 THR HG2% 1.0 . 4.80 264 261 A 30 HIS H A 83 LEU H 1.0 . 6.00 265 262 A 29 LEU HD2% A 30 HIS H 1.0 . 4.20 266 263 A 30 HIS H A 30 HIS HD2 1.0 . 6.00 267 264 A 30 HIS H A 30 HIS HA 1.0 . 3.00 268 265 A 30 HIS H A 30 HIS HD1 1.0 . 5.50 269 266 A 30 HIS H A 30 HIS HBx 1.0 . 3.20 270 267 A 30 HIS H A 88 ARG HBy 1.0 . 5.50 271 268 A 30 HIS H A 13 LEU HDx% 1.0 . 5.95 272 269 A 30 HIS H A 28 ILE HG12 1.0 . 4.10 273 269 A 30 HIS H A 28 ILE HG1y 1.0 . 4.10 274 270 A 30 HIS H A 59 THR HG2% 1.0 . 4.70 275 271 A 31 HIS H A 29 LEU HBy 1.0 . 5.50 276 272 A 83 LEU HBx A 31 HIS H 1.0 . 5.00 277 273 A 31 HIS H A 88 ARG HBx 1.0 . 5.50 278 274 A 31 HIS H A 30 HIS HA 1.0 . 4.29 279 275 A 31 HIS H A 30 HIS HD1 1.0 . 5.18 280 276 A 31 HIS HBy A 32 LYS H 1.0 . 4.09 281 277 A 31 HIS H A 34 TYR HE% 1.0 . 6.00 282 278 A 31 HIS H A 88 ARG HGx 1.0 . 5.80 283 279 A 31 HIS H A 31 HIS HA 1.0 . 3.20 284 280 A 31 HIS H A 31 HIS HD1 1.0 . 5.90 285 281 A 31 HIS H A 31 HIS HB2 1.0 . 3.80 286 282 A 31 HIS H A 30 HIS HE1 1.0 . 6.00 287 283 A 31 HIS H A 28 ILE HG2% 1.0 . 6.00 288 284 A 31 HIS H A 32 LYS HBy 1.0 . 5.55 289 285 A 32 LYS H A 31 HIS HA 1.0 . 3.43 290 286 A 31 HIS H A 32 LYS H 1.0 . 3.95 291 287 A 32 LYS H A 34 TYR HE% 1.0 . 4.70 292 288 A 82 GLU HBy A 32 LYS H 1.0 . 6.10 293 289 A 83 LEU HBx A 32 LYS H 1.0 . 4.60 294 290 A 29 LEU HBy A 32 LYS H 1.0 . 5.60 295 291 A 83 LEU HDy% A 32 LYS H 1.0 . 5.90 296 292 A 32 LYS HA A 32 LYS H 1.0 . 3.30 297 293 A 32 LYS HB2 A 32 LYS H 1.0 . 2.90 298 294 A 32 LYS H A 32 LYS HEy 1.0 . 5.30 299 295 A 32 LYS H A 32 LYS HD2 1.0 . 5.30 300 296 A 32 LYS H A 31 HIS HD1 1.0 . 6.00 301 297 A 28 ILE HG2% A 32 LYS H 1.0 . 5.55 302 298 A 32 LYS HA A 33 VAL H 1.0 . 4.30 303 299 A 81 GLY HAx A 33 VAL H 1.0 . 4.60 304 300 A 34 TYR HD% A 33 VAL H 1.0 . 5.39 305 301 A 34 TYR H A 33 VAL H 1.0 . 4.55 306 302 A 33 VAL H A 79 ILE HD1% 1.0 . 5.65 307 303 A 33 VAL H A 81 GLY H 1.0 . 4.20 308 304 A 33 VAL H A 82 GLU HA 1.0 . 4.58 309 305 A 83 LEU HBx A 33 VAL H 1.0 . 4.80 310 306 A 33 VAL H A 32 LYS HDy 1.0 . 5.40 311 307 A 82 GLU HBy A 33 VAL H 1.0 . 4.50 312 308 A 83 LEU H A 33 VAL H 1.0 . 4.24 313 309 A 33 VAL H A 80 ILE H 1.0 . 5.80 314 310 A 83 LEU HA A 33 VAL H 1.0 . 4.90 315 311 A 33 VAL H A 82 GLU HG2 1.0 . 5.60 316 312 A 33 VAL HA A 33 VAL H 1.0 . 3.20 317 313 A 33 VAL HB A 33 VAL H 1.0 . 2.80 318 314 A 33 VAL H A 33 VAL HGx% 1.0 . 3.20 319 315 A 33 VAL HGy% A 33 VAL H 1.0 . 3.80 320 316 A 32 LYS HB2 A 33 VAL H 1.0 . 4.30 321 317 A 28 ILE HG2% A 33 VAL H 1.0 . 5.40 322 318 A 80 ILE HG2% A 33 VAL H 1.0 . 5.40 323 319 A 34 TYR H A 33 VAL HA 1.0 . 2.20 324 320 A 33 VAL HB A 34 TYR H 1.0 . 4.33 325 321 A 33 VAL HGy% A 34 TYR H 1.0 . 3.00 326 322 A 34 TYR H A 29 LEU HD2% 1.0 . 5.50 327 323 A 27 VAL HGy% A 34 TYR H 1.0 . 5.70 328 324 A 34 TYR H A 28 ILE HA 1.0 . 5.14 329 325 A 34 TYR H A 27 VAL HA 1.0 . 4.90 330 326 A 34 TYR H A 80 ILE H 1.0 . 6.00 331 327 A 34 TYR H A 79 ILE HA 1.0 . 5.80 332 328 A 27 VAL HGy% A 34 TYR H 1.0 . 3.40 333 329 A 34 TYR H A 79 ILE HD1% 1.0 . 5.20 334 330 A 36 LEU HDy% A 34 TYR H 1.0 . 5.80 335 331 A 34 TYR H A 80 ILE HG2% 1.0 . 3.70 336 332 A 27 VAL H A 34 TYR H 1.0 . 3.20 337 333 A 34 TYR H A 34 TYR HA 1.0 . 3.20 338 334 A 34 TYR H A 34 TYR HB2 1.0 . 3.00 339 335 A 34 TYR H A 34 TYR HD% 1.0 . 3.30 340 336 A 26 TRP HD1 A 34 TYR H 1.0 . 5.56 341 337 A 34 TYR H A 28 ILE HB 1.0 . 5.56 342 338 A 34 TYR H A 36 LEU HBx 1.0 . 5.56 343 339 A 83 LEU HBy A 34 TYR H 1.0 . 5.56 344 340 A 34 TYR H A 28 ILE HG2% 1.0 . 5.56 345 341 A 35 ASP H A 78 TYR HD% 1.0 . 5.52 346 342 A 26 TRP HD1 A 35 ASP H 1.0 . 5.50 347 343 A 80 ILE H A 35 ASP H 1.0 . 4.40 348 344 A 34 TYR H A 35 ASP H 1.0 . 4.55 349 345 A 34 TYR HA A 35 ASP H 1.0 . 2.20 350 346 A 35 ASP H A 79 ILE HB 1.0 . 5.80 351 347 A 36 LEU HBx A 35 ASP H 1.0 . 5.75 352 348 A 79 ILE HA A 35 ASP H 1.0 . 4.20 353 349 A 35 ASP H A 80 ILE HA 1.0 . 5.30 354 350 A 80 ILE HG2% A 35 ASP H 1.0 . 4.50 355 351 A 80 ILE HD1% A 35 ASP H 1.0 . 5.43 356 352 A 81 GLY H A 35 ASP H 1.0 . 5.20 357 353 A 35 ASP H A 78 TYR H 1.0 . 5.50 358 354 A 35 ASP H A 34 TYR HBy 1.0 . 3.10 359 355 A 35 ASP H A 78 TYR HBy 1.0 . 2.80 360 356 A 33 VAL HGx% A 35 ASP H 1.0 . 4.90 361 357 A 79 ILE HD1% A 35 ASP H 1.0 . 4.90 362 358 A 35 ASP H A 78 TYR HD% 1.0 . 5.10 363 359 A 34 TYR HD% A 35 ASP H 1.0 . 4.10 364 360 A 26 TRP HD1 A 35 ASP H 1.0 . 4.80 365 361 A 35 ASP H A 35 ASP HBy 1.0 . 2.77 366 362 A 35 ASP H A 35 ASP HA 1.0 . 3.00 367 363 A 36 LEU HDy% A 35 ASP H 1.0 . 5.75 368 364 A 25 THR H A 36 LEU H 1.0 . 5.00 369 365 A 26 TRP H A 36 LEU H 1.0 . 6.10 370 366 A 26 TRP HA A 36 LEU H 1.0 . 5.47 371 367 A 27 VAL H A 36 LEU H 1.0 . 4.36 372 368 A 26 TRP HD1 A 36 LEU H 1.0 . 3.80 373 369 A 35 ASP HA A 36 LEU H 1.0 . 4.24 374 370 A 36 LEU H A 35 ASP HBx 1.0 . 4.71 375 371 A 36 LEU H A 37 THR H 1.0 . 4.82 376 372 A 37 THR HG2% A 36 LEU H 1.0 . 5.30 377 373 A 25 THR HG2% A 36 LEU H 1.0 . 4.20 378 374 A 36 LEU H A 38 LYS H 1.0 . 4.98 379 375 A 40 LEU HDy% A 36 LEU H 1.0 . 5.45 380 376 A 27 VAL HGy% A 36 LEU H 1.0 . 4.50 381 377 A 78 TYR HBy A 36 LEU H 1.0 . 5.42 382 378 A 35 ASP HBy A 36 LEU H 1.0 . 4.58 383 379 A 36 LEU H A 39 PHE HB2 1.0 . 5.10 384 380 A 34 TYR HB2 A 36 LEU H 1.0 . 5.75 385 381 A 36 LEU H A 38 LYS HB2 1.0 . 6.00 386 382 A 80 ILE HG2% A 36 LEU H 1.0 . 4.80 387 383 A 36 LEU HDx% A 36 LEU H 1.0 . 4.40 388 384 A 36 LEU H A 36 LEU HA 1.0 . 3.20 389 385 A 36 LEU HG A 36 LEU H 1.0 . 5.00 390 386 A 36 LEU H A 36 LEU HBy 1.0 . 2.70 391 387 A 36 LEU HBx A 36 LEU H 1.0 . 2.70 392 388 A 36 LEU HDy% A 36 LEU H 1.0 . 4.10 393 389 A 36 LEU H A 37 THR HB 1.0 . 5.00 394 390 A 25 THR HG2% A 37 THR H 1.0 . 3.90 395 391 A 36 LEU HG A 37 THR H 1.0 . 5.19 396 392 A 25 THR H A 37 THR H 1.0 . 4.77 397 393 A 26 TRP HD1 A 37 THR H 1.0 . 4.82 398 394 A 26 TRP HA A 37 THR H 1.0 . 4.84 399 395 A 26 TRP HBx A 37 THR H 1.0 . 5.55 400 396 A 35 ASP HA A 37 THR H 1.0 . 4.49 401 397 A 37 THR H A 36 LEU HA 1.0 . 4.44 402 398 A 36 LEU HDy% A 37 THR H 1.0 . 4.80 403 399 A 37 THR H A 38 LYS H 1.0 . 2.80 404 400 A 37 THR H A 38 LYS HBy 1.0 . 5.40 405 401 A 37 THR H A 36 LEU HBy 1.0 . 4.70 406 402 A 37 THR H A 39 PHE HBy 1.0 . 6.10 407 403 A 35 ASP HBx A 37 THR H 1.0 . 5.66 408 404 A 37 THR H A 39 PHE H 1.0 . 4.20 409 405 A 27 VAL HGy% A 37 THR H 1.0 . 5.80 410 406 A 40 LEU HDy% A 37 THR H 1.0 . 4.40 411 407 A 36 LEU HDx% A 37 THR H 1.0 . 4.40 412 408 A 37 THR H A 37 THR HB 1.0 . 2.80 413 409 A 37 THR HG2% A 37 THR H 1.0 . 3.90 414 410 A 37 THR HA A 37 THR H 1.0 . 3.00 415 411 A 27 VAL H A 37 THR H 1.0 . 5.80 416 412 A 37 THR H A 38 LYS H 1.0 . 2.80 417 413 A 35 ASP HBy A 38 LYS H 1.0 . 5.10 418 414 A 38 LYS H A 36 LEU HBy 1.0 . 5.00 419 415 A 38 LYS H A 36 LEU HA 1.0 . 4.40 420 416 A 37 THR HG2% A 38 LYS H 1.0 . 3.50 421 417 A 38 LYS H A 37 THR HB 1.0 . 4.48 422 418 A 38 LYS H A 39 PHE HBy 1.0 . 5.10 423 419 A 40 LEU HDy% A 38 LYS H 1.0 . 5.70 424 420 A 36 LEU HDx% A 38 LYS H 1.0 . 4.80 425 421 A 78 TYR HD% A 38 LYS H 1.0 . 5.40 426 422 A 38 LYS H A 38 LYS HA 1.0 . 3.10 427 423 A 38 LYS H A 38 LYS HB2 1.0 . 2.80 428 424 A 38 LYS H A 38 LYS HEx 1.0 . 5.90 429 425 A 38 LYS H A 38 LYS HGy 1.0 . 4.55 430 426 A 36 LEU HDy% A 39 PHE H 1.0 . 4.24 431 427 A 36 LEU HA A 39 PHE H 1.0 . 3.40 432 428 A 36 LEU HBy A 39 PHE H 1.0 . 5.00 433 429 A 38 LYS HBy A 39 PHE H 1.0 . 3.20 434 430 A 39 PHE H A 38 LYS HA 1.0 . 3.50 435 431 A 39 PHE H A 40 LEU H 1.0 . 2.80 436 432 A 39 PHE H A 40 LEU HDx% 1.0 . 5.75 437 433 A 39 PHE H A 43 PHE HE% 1.0 . 5.80 438 434 A 39 PHE H A 38 LYS HEx 1.0 . 6.00 439 435 A 39 PHE H A 38 LYS HEy 1.0 . 5.10 440 436 A 39 PHE HB2 A 39 PHE H 1.0 . 2.50 441 437 A 39 PHE H A 39 PHE HD% 1.0 . 4.30 442 438 A 39 PHE H A 39 PHE HA 1.0 . 3.10 443 439 A 39 PHE H A 41 GLU HGx 1.0 . 5.80 444 440 A 35 ASP HBy A 39 PHE H 1.0 . 5.40 445 441 A 38 LYS HA A 40 LEU H 1.0 . 4.40 446 442 A 39 PHE HBy A 40 LEU H 1.0 . 3.80 447 443 A 40 LEU H A 39 PHE HA 1.0 . 3.50 448 444 A 40 LEU H A 47 GLU HA 1.0 . 5.30 449 445 A 40 LEU H A 39 PHE HD% 1.0 . 4.90 450 446 A 40 LEU H A 41 GLU H 1.0 . 2.80 451 447 A 36 LEU HDx% A 40 LEU H 1.0 . 3.10 452 448 A 40 LEU H A 50 LEU HDy% 1.0 . 4.10 453 449 A 40 LEU H A 38 LYS HEy 1.0 . 5.40 454 450 A 39 PHE HBy A 40 LEU H 1.0 . 3.00 455 451 A 38 LYS HA A 40 LEU H 1.0 . 4.50 456 452 A 40 LEU H A 40 LEU HA 1.0 . 3.10 457 453 A 40 LEU H A 40 LEU HB2 1.0 . 3.60 458 454 A 40 LEU HDy% A 40 LEU H 1.0 . 3.20 459 455 A 40 LEU H A 40 LEU HG 1.0 . 2.20 460 456 A 37 THR H A 40 LEU H 1.0 . 5.40 461 457 A 40 LEU H A 78 TYR HE% 1.0 . 5.90 462 458 A 37 THR HA A 40 LEU H 1.0 . 4.40 463 459 A 40 LEU H A 41 GLU HGx 1.0 . 4.90 464 460 A 36 LEU HDx% A 41 GLU H 1.0 . 5.90 465 461 A 41 GLU H A 50 LEU HDy% 1.0 . 5.60 466 462 A 40 LEU HDy% A 41 GLU H 1.0 . 4.10 467 463 A 38 LYS HEy A 41 GLU H 1.0 . 4.90 468 464 A 39 PHE HBy A 41 GLU H 1.0 . 5.50 469 465 A 38 LYS HEx A 41 GLU H 1.0 . 4.90 470 466 A 39 PHE H A 41 GLU H 1.0 . 4.20 471 467 A 40 LEU H A 41 GLU H 1.0 . 2.80 472 468 A 41 GLU H A 43 PHE H 1.0 . 4.80 473 469 A 41 GLU H A 40 LEU HG 1.0 . 4.19 474 470 A 41 GLU H A 42 GLU HA 1.0 . 5.55 475 471 A 41 GLU H A 40 LEU HA 1.0 . 3.50 476 472 A 41 GLU H A 42 GLU HBy 1.0 . 4.80 477 473 A 41 GLU H A 43 PHE H 1.0 . 4.70 478 474 A 41 GLU H A 41 GLU HA 1.0 . 3.10 479 475 A 41 GLU HGx A 41 GLU H 1.0 . 4.10 480 476 A 41 GLU H A 41 GLU HB2 1.0 . 2.90 481 477 A 41 GLU H A 43 PHE HD% 1.0 . 5.80 482 478 A 41 GLU HA A 42 GLU H 1.0 . 3.50 483 479 A 42 GLU H A 43 PHE HA 1.0 . 5.80 484 480 A 39 PHE HD% A 42 GLU H 1.0 . 5.35 485 481 A 41 GLU H A 42 GLU H 1.0 . 2.80 486 482 A 40 LEU H A 42 GLU H 1.0 . 4.40 487 483 A 40 LEU HA A 42 GLU H 1.0 . 4.40 488 484 A 43 PHE HD% A 42 GLU H 1.0 . 5.29 489 485 A 43 PHE HE% A 42 GLU H 1.0 . 5.40 490 486 A 42 GLU H A 67 PHE HZ 1.0 . 6.00 491 487 A 41 GLU HA A 42 GLU H 1.0 . 3.50 492 488 A 41 GLU HGx A 42 GLU H 1.0 . 4.90 493 489 A 40 LEU HB2 A 42 GLU H 1.0 . 5.20 494 490 A 50 LEU HDy% A 42 GLU H 1.0 . 5.60 495 491 A 42 GLU HA A 42 GLU H 1.0 . 3.00 496 492 A 42 GLU H A 42 GLU HBx 1.0 . 3.10 497 493 A 42 GLU HBy A 42 GLU H 1.0 . 2.60 498 494 A 42 GLU H A 42 GLU HG2 1.0 . 4.70 499 495 A 40 LEU HDy% A 42 GLU H 1.0 . 5.75 500 496 A 39 PHE HD% A 43 PHE H 1.0 . 5.70 501 497 A 43 PHE H A 42 GLU H 1.0 . 3.00 502 498 A 43 PHE H A 42 GLU HBy 1.0 . 3.70 503 499 A 43 PHE H A 42 GLU HA 1.0 . 3.70 504 500 A 40 LEU HA A 43 PHE H 1.0 . 3.90 505 501 A 43 PHE H A 46 GLY HAx 1.0 . 5.03 506 502 A 43 PHE H A 42 GLU HG2 1.0 . 5.00 507 503 A 43 PHE H A 42 GLU HBx 1.0 . 3.45 508 504 A 43 PHE H A 67 PHE HZ 1.0 . 4.80 509 505 A 43 PHE H A 43 PHE HD% 1.0 . 3.20 510 506 A 43 PHE H A 43 PHE HA 1.0 . 3.20 511 507 A 43 PHE H A 43 PHE HB2 1.0 . 3.10 512 508 A 43 PHE H A 41 GLU HA 1.0 . 5.00 513 509 A 40 LEU HB2 A 43 PHE H 1.0 . 5.40 514 510 A 45 GLY H A 45 GLY HAy 1.0 . 2.80 515 511 A 45 GLY H A 45 GLY HAx 1.0 . 2.90 516 512 A 45 GLY H A 44 PRO HG2 1.0 . 5.20 517 513 A 43 PHE HA A 46 GLY H 1.0 . 6.00 518 514 A 40 LEU HDy% A 46 GLY H 1.0 . 5.80 519 515 A 50 LEU HDy% A 46 GLY H 1.0 . 5.20 520 516 A 40 LEU HA A 46 GLY H 1.0 . 5.70 521 517 A 46 GLY H A 44 PRO HA 1.0 . 5.01 522 518 A 45 GLY H A 46 GLY H 1.0 . 3.94 523 519 A 43 PHE H A 46 GLY H 1.0 . 4.80 524 520 A 47 GLU HA A 46 GLY H 1.0 . 5.30 525 521 A 45 GLY HAx A 46 GLY H 1.0 . 3.55 526 522 A 46 GLY H A 47 GLU HBy 1.0 . 4.64 527 523 A 46 GLY H A 49 VAL H 1.0 . 6.10 528 524 A 40 LEU HB2 A 46 GLY H 1.0 . 4.40 529 525 A 46 GLY H A 43 PHE HBy 1.0 . 4.00 530 526 A 43 PHE HD% A 46 GLY H 1.0 . 4.60 531 527 A 46 GLY H A 50 LEU HDx% 1.0 . 5.70 532 528 A 40 LEU HDx% A 46 GLY H 1.0 . 4.40 533 529 A 46 GLY H A 46 GLY HAy 1.0 . 3.00 534 530 A 46 GLY HAx A 46 GLY H 1.0 . 2.70 535 531 A 40 LEU HDy% A 47 GLU H 1.0 . 4.50 536 532 A 50 LEU HDy% A 47 GLU H 1.0 . 5.55 537 533 A 45 GLY HAx A 47 GLU H 1.0 . 6.00 538 534 A 46 GLY H A 47 GLU H 1.0 . 4.87 539 535 A 40 LEU HB2 A 47 GLU H 1.0 . 3.60 540 536 A 47 GLU HA A 47 GLU H 1.0 . 3.10 541 537 A 47 GLU H A 47 GLU HB2 1.0 . 2.80 542 538 A 47 GLU H A 47 GLU HGy 1.0 . 4.50 543 538 A 47 GLU H A 47 GLU HG2 1.0 . 4.50 544 539 A 47 GLU HBy A 49 VAL H 1.0 . 5.50 545 540 A 40 LEU HB2 A 49 VAL H 1.0 . 5.70 546 541 A 47 GLU HA A 49 VAL H 1.0 . 4.40 547 542 A 49 VAL H A 48 GLU H 1.0 . 2.80 548 543 A 49 VAL H A 50 LEU HA 1.0 . 5.30 549 544 A 49 VAL H A 48 GLU HA 1.0 . 3.50 550 545 A 49 VAL H A 50 LEU H 1.0 . 2.80 551 546 A 49 VAL H A 52 GLU H 1.0 . 5.80 552 547 A 43 PHE HD% A 49 VAL H 1.0 . 6.10 553 548 A 49 VAL H A 49 VAL HB 1.0 . 2.80 554 549 A 49 VAL H A 49 VAL HGy% 1.0 . 3.70 555 550 A 49 VAL H A 49 VAL HGx% 1.0 . 2.80 556 551 A 49 VAL H A 49 VAL HA 1.0 . 3.10 557 552 A 48 GLU HA A 50 LEU H 1.0 . 4.40 558 553 A 50 LEU H A 51 ARG HBy 1.0 . 3.80 559 554 A 50 LEU HA A 50 LEU H 1.0 . 3.10 560 555 A 50 LEU HDy% A 50 LEU H 1.0 . 3.60 561 556 A 50 LEU H A 50 LEU HB2 1.0 . 3.50 562 557 A 50 LEU H A 49 VAL HA 1.0 . 3.60 563 558 A 47 GLU HA A 50 LEU H 1.0 . 4.40 564 559 A 50 LEU H A 49 VAL HGy% 1.0 . 4.40 565 560 A 50 LEU HA A 51 ARG H 1.0 . 3.50 566 561 A 48 GLU HA A 51 ARG H 1.0 . 3.95 567 562 A 51 ARG H A 50 LEU HBy 1.0 . 4.20 568 563 A 49 VAL HGx% A 51 ARG H 1.0 . 4.20 569 564 A 50 LEU HDx% A 51 ARG H 1.0 . 3.40 570 565 A 51 ARG H A 65 VAL HGx% 1.0 . 5.20 571 566 A 51 ARG H A 51 ARG HA 1.0 . 3.20 572 567 A 51 ARG H A 51 ARG HB2 1.0 . 3.30 573 568 A 51 ARG H A 47 GLU HGy 1.0 . 5.50 574 568 A 47 GLU HG2 A 51 ARG H 1.0 . 5.50 575 569 A 40 LEU HB2 A 51 ARG H 1.0 . 5.75 576 570 A 52 GLU H A 52 GLU HA 1.0 . 3.10 577 571 A 52 GLU H A 52 GLU HB2 1.0 . 2.80 578 572 A 52 GLU H A 50 LEU HG 1.0 . 5.80 579 573 A 25 THR HG2% A 52 GLU H 1.0 . 6.00 580 574 A 56 GLY H A 55 GLY HAx 1.0 . 3.20 581 575 A 55 GLY HAy A 56 GLY H 1.0 . 3.52 582 576 A 56 GLY H A 56 GLY HA2 1.0 . 2.80 583 577 A 13 LEU HDy% A 57 ASP H 1.0 . 5.30 584 578 A 55 GLY HAy A 57 ASP H 1.0 . 5.75 585 579 A 57 ASP H A 57 ASP HA 1.0 . 3.20 586 580 A 57 ASP H A 57 ASP HBx 1.0 . 3.80 587 581 A 57 ASP H A 57 ASP HBy 1.0 . 3.80 588 582 A 58 ALA H A 57 ASP H 1.0 . 4.60 589 583 A 56 GLY HA2 A 57 ASP H 1.0 . 3.80 590 584 A 58 ALA H A 57 ASP HA 1.0 . 2.44 591 585 A 58 ALA H A 29 LEU HA 1.0 . 4.10 592 586 A 58 ALA H A 59 THR HB 1.0 . 4.80 593 587 A 58 ALA H A 61 ASN HBy 1.0 . 4.90 594 588 A 58 ALA H A 57 ASP HBy 1.0 . 3.50 595 589 A 58 ALA H A 62 PHE HBy 1.0 . 5.80 596 590 A 58 ALA H A 58 ALA HA 1.0 . 3.20 597 591 A 58 ALA H A 58 ALA HB% 1.0 . 3.30 598 592 A 58 ALA H A 60 GLU H 1.0 . 3.30 599 593 A 58 ALA H A 61 ASN H 1.0 . 3.90 600 594 A 58 ALA H A 57 ASP H 1.0 . 4.60 601 595 A 58 ALA H A 59 THR HA 1.0 . 4.70 602 596 A 29 LEU H A 59 THR H 1.0 . 5.70 603 597 A 58 ALA HA A 59 THR H 1.0 . 3.54 604 598 A 59 THR HA A 59 THR H 1.0 . 3.20 605 599 A 59 THR HB A 59 THR H 1.0 . 3.70 606 600 A 59 THR HG2% A 59 THR H 1.0 . 3.40 607 601 A 58 ALA HB% A 59 THR H 1.0 . 3.54 608 602 A 29 LEU HG A 59 THR H 1.0 . 5.90 609 603 A 60 GLU H A 60 GLU HA 1.0 . 3.20 610 604 A 60 GLU H A 60 GLU HB2 1.0 . 2.50 611 605 A 60 GLU H A 60 GLU HG2 1.0 . 4.20 612 606 A 60 GLU H A 62 PHE H 1.0 . 4.20 613 607 A 60 GLU H A 61 ASN HD21 1.0 . 6.00 614 608 A 59 THR HB A 60 GLU H 1.0 . 4.20 615 609 A 60 GLU H A 61 ASN HA 1.0 . 5.20 616 610 A 29 LEU HA A 60 GLU H 1.0 . 5.50 617 611 A 57 ASP HA A 60 GLU H 1.0 . 6.00 618 612 A 57 ASP HBy A 60 GLU H 1.0 . 4.85 619 613 A 60 GLU H A 61 ASN HB2 1.0 . 4.20 620 614 A 58 ALA HB% A 60 GLU H 1.0 . 5.20 621 615 A 61 ASN H A 60 GLU HA 1.0 . 3.80 622 616 A 59 THR HB A 61 ASN H 1.0 . 5.90 623 617 A 57 ASP HBx A 61 ASN H 1.0 . 5.20 624 618 A 62 PHE HBy A 61 ASN H 1.0 . 4.80 625 619 A 61 ASN H A 59 THR HA 1.0 . 4.70 626 620 A 61 ASN H A 61 ASN HA 1.0 . 3.10 627 621 A 61 ASN H A 61 ASN HB2 1.0 . 2.70 628 622 A 58 ALA H A 61 ASN H 1.0 . 3.60 629 623 A 61 ASN H A 64 ASP HB2 1.0 . 5.50 630 624 A 62 PHE HA A 63 GLU H 1.0 . 4.69 631 625 A 61 ASN HA A 63 GLU H 1.0 . 3.80 632 626 A 63 GLU H A 63 GLU HB2 1.0 . 2.80 633 627 A 65 VAL HGx% A 63 GLU H 1.0 . 5.60 634 628 A 61 ASN H A 64 ASP H 1.0 . 4.80 635 629 A 64 ASP H A 61 ASN HD22 1.0 . 6.00 636 630 A 64 ASP H A 62 PHE HD% 1.0 . 5.70 637 631 A 64 ASP H A 63 GLU HA 1.0 . 4.00 638 632 A 64 ASP H A 65 VAL HA 1.0 . 5.80 639 633 A 64 ASP HB2 A 64 ASP H 1.0 . 2.80 640 634 A 61 ASN HB2 A 64 ASP H 1.0 . 5.40 641 635 A 64 ASP H A 63 GLU HG2 1.0 . 4.80 642 636 A 64 ASP H A 65 VAL HGy% 1.0 . 4.20 643 637 A 64 ASP H A 65 VAL H 1.0 . 2.80 644 638 A 61 ASN HA A 65 VAL H 1.0 . 5.40 645 639 A 61 ASN HBy A 65 VAL H 1.0 . 5.90 646 640 A 65 VAL H A 64 ASP HBy 1.0 . 2.86 647 641 A 62 PHE HA A 65 VAL H 1.0 . 4.55 648 642 A 65 VAL H A 64 ASP HA 1.0 . 3.90 649 643 A 63 GLU HA A 65 VAL H 1.0 . 4.50 650 644 A 65 VAL H A 63 GLU HBy 1.0 . 5.10 651 645 A 65 VAL H A 66 GLY H 1.0 . 4.87 652 646 A 61 ASN H A 65 VAL H 1.0 . 6.10 653 647 A 65 VAL HGx% A 65 VAL H 1.0 . 2.50 654 648 A 65 VAL HA A 65 VAL H 1.0 . 3.10 655 649 A 65 VAL HGy% A 65 VAL H 1.0 . 2.50 656 650 A 65 VAL H A 65 VAL HB 1.0 . 3.80 657 651 A 61 ASN HD21 A 65 VAL H 1.0 . 5.40 658 652 A 61 ASN HD22 A 65 VAL H 1.0 . 5.40 659 653 A 65 VAL HGx% A 66 GLY H 1.0 . 3.80 660 654 A 50 LEU HDy% A 66 GLY H 1.0 . 5.30 661 655 A 66 GLY H A 65 VAL HB 1.0 . 5.42 662 656 A 63 GLU HB2 A 66 GLY H 1.0 . 5.60 663 657 A 61 ASN HA A 66 GLY H 1.0 . 5.50 664 658 A 63 GLU HA A 66 GLY H 1.0 . 3.80 665 659 A 65 VAL HA A 66 GLY H 1.0 . 3.80 666 660 A 66 GLY H A 66 GLY HAx 1.0 . 3.00 667 661 A 66 GLY H A 66 GLY HAy 1.0 . 3.00 668 662 A 70 ASP H A 70 ASP HA 1.0 . 3.30 669 663 A 70 ASP H A 69 THR HB 1.0 . 3.70 670 664 A 70 ASP HA A 71 ALA H 1.0 . 3.50 671 665 A 71 ALA H A 70 ASP HBx 1.0 . 4.61 672 666 A 71 ALA H A 72 ARG HGy 1.0 . 3.90 673 667 A 71 ALA H A 72 ARG H 1.0 . 2.80 674 668 A 71 ALA H A 73 GLU H 1.0 . 4.20 675 669 A 71 ALA H A 74 LEU HD2% 1.0 . 5.34 676 670 A 71 ALA H A 74 LEU HBy 1.0 . 5.95 677 671 A 71 ALA H A 71 ALA HA 1.0 . 3.10 678 672 A 71 ALA H A 71 ALA HB% 1.0 . 2.90 679 673 A 71 ALA H A 66 GLY HAx 1.0 . 5.81 680 674 A 71 ALA H A 66 GLY HAy 1.0 . 5.50 681 675 A 70 ASP HBx A 72 ARG H 1.0 . 4.91 682 676 A 72 ARG H A 71 ALA HA 1.0 . 3.50 683 677 A 72 ARG H A 73 GLU HBy 1.0 . 5.10 684 678 A 72 ARG H A 73 GLU H 1.0 . 2.80 685 679 A 72 ARG H A 71 ALA HB% 1.0 . 2.70 686 680 A 72 ARG H A 74 LEU HD2% 1.0 . 5.80 687 681 A 72 ARG H A 72 ARG HA 1.0 . 3.10 688 682 A 72 ARG H A 72 ARG HDy 1.0 . 3.80 689 683 A 72 ARG HGy A 72 ARG H 1.0 . 2.40 690 684 A 72 ARG H A 72 ARG HBy 1.0 . 4.70 691 685 A 72 ARG H A 69 THR H 1.0 . 5.00 692 686 A 69 THR HB A 72 ARG H 1.0 . 5.80 693 687 A 73 GLU H A 72 ARG HA 1.0 . 3.50 694 688 A 73 GLU H A 72 ARG HBy 1.0 . 4.20 695 689 A 73 GLU H A 74 LEU H 1.0 . 2.40 696 690 A 73 GLU H A 72 ARG HDy 1.0 . 4.90 697 691 A 73 GLU H A 72 ARG HA 1.0 . 3.80 698 692 A 73 GLU H A 74 LEU HD2% 1.0 . 5.50 699 693 A 73 GLU H A 73 GLU HA 1.0 . 3.20 700 694 A 73 GLU H A 73 GLU HGy 1.0 . 3.00 701 695 A 73 GLU H A 73 GLU HB2 1.0 . 3.60 702 696 A 73 GLU H A 73 GLU HGx 1.0 . 3.10 703 697 A 73 GLU H A 74 LEU H 1.0 . 2.80 704 698 A 74 LEU H A 73 GLU HA 1.0 . 3.50 705 699 A 74 LEU H A 73 GLU HGy 1.0 . 4.24 706 700 A 74 LEU H A 74 LEU HA 1.0 . 3.10 707 701 A 74 LEU HD2% A 74 LEU H 1.0 . 4.00 708 702 A 74 LEU H A 74 LEU HB2 1.0 . 2.70 709 703 A 71 ALA H A 74 LEU H 1.0 . 4.70 710 704 A 70 ASP HA A 74 LEU H 1.0 . 4.20 711 705 A 71 ALA HA A 74 LEU H 1.0 . 3.70 712 706 A 74 LEU H A 70 ASP HBy 1.0 . 5.70 713 707 A 74 LEU H A 73 GLU HB2 1.0 . 3.90 714 708 A 74 LEU H A 72 ARG HB2 1.0 . 5.24 715 709 A 71 ALA HB% A 74 LEU H 1.0 . 5.24 716 710 A 76 LYS HZ% A 77 LYS H 1.0 . 5.63 717 711 A 34 TYR HD% A 77 LYS H 1.0 . 4.80 718 712 A 77 LYS H A 76 LYS HEy 1.0 . 5.10 719 713 A 77 LYS H A 76 LYS HA 1.0 . 3.50 720 714 A 73 GLU HA A 77 LYS H 1.0 . 5.50 721 715 A 77 LYS H A 78 TYR HA 1.0 . 5.00 722 716 A 78 TYR HD% A 77 LYS H 1.0 . 4.50 723 717 A 77 LYS H A 77 LYS HEy 1.0 . 6.00 724 718 A 77 LYS H A 77 LYS HGy 1.0 . 4.75 725 719 A 77 LYS H A 77 LYS HDy 1.0 . 4.40 726 720 A 77 LYS H A 77 LYS HA 1.0 . 3.10 727 721 A 78 TYR HD% A 77 LYS H 1.0 . 4.20 728 722 A 77 LYS H A 76 LYS H 1.0 . 2.75 729 723 A 78 TYR H A 34 TYR HBy 1.0 . 5.30 730 724 A 78 TYR H A 35 ASP HBy 1.0 . 5.90 731 725 A 78 TYR H A 35 ASP HBx 1.0 . 6.00 732 726 A 35 ASP H A 78 TYR H 1.0 . 5.20 733 727 A 78 TYR H A 77 LYS HDy 1.0 . 4.70 734 728 A 78 TYR H A 77 LYS HA 1.0 . 4.21 735 729 A 78 TYR H A 79 ILE HG2% 1.0 . 5.44 736 730 A 78 TYR H A 78 TYR HA 1.0 . 3.10 737 731 A 78 TYR HD% A 78 TYR H 1.0 . 3.50 738 732 A 78 TYR H A 78 TYR HBy 1.0 . 3.60 739 733 A 78 TYR H A 77 LYS H 1.0 . 2.40 740 734 A 78 TYR H A 78 TYR HE% 1.0 . 5.40 741 735 A 79 ILE HB A 78 TYR H 1.0 . 6.00 742 736 A 35 ASP HBy A 79 ILE H 1.0 . 5.50 743 737 A 34 TYR HBy A 79 ILE H 1.0 . 5.50 744 738 A 78 TYR HBy A 79 ILE H 1.0 . 4.30 745 739 A 35 ASP H A 79 ILE H 1.0 . 5.19 746 740 A 77 LYS H A 79 ILE H 1.0 . 6.10 747 741 A 78 TYR HA A 79 ILE H 1.0 . 3.20 748 742 A 78 TYR H A 79 ILE H 1.0 . 4.50 749 743 A 80 ILE HG2% A 79 ILE H 1.0 . 5.40 750 744 A 79 ILE HA A 79 ILE H 1.0 . 3.10 751 745 A 79 ILE HB A 79 ILE H 1.0 . 3.10 752 746 A 79 ILE HG2% A 79 ILE H 1.0 . 2.20 753 747 A 79 ILE HD1% A 79 ILE H 1.0 . 4.70 754 748 A 79 ILE H A 79 ILE HG1y 1.0 . 4.40 755 748 A 79 ILE H A 79 ILE HG12 1.0 . 4.40 756 749 A 34 TYR H A 80 ILE H 1.0 . 5.70 757 750 A 80 ILE H A 79 ILE HG2% 1.0 . 4.61 758 751 A 79 ILE HD1% A 80 ILE H 1.0 . 3.70 759 752 A 80 ILE H A 33 VAL HGx% 1.0 . 5.50 760 753 A 80 ILE H A 79 ILE H 1.0 . 4.30 761 754 A 80 ILE H A 79 ILE HA 1.0 . 2.20 762 755 A 81 GLY H A 80 ILE H 1.0 . 4.30 763 756 A 80 ILE H A 80 ILE HA 1.0 . 3.10 764 757 A 80 ILE HD1% A 80 ILE H 1.0 . 4.60 765 758 A 80 ILE HG2% A 80 ILE H 1.0 . 2.30 766 759 A 80 ILE H A 35 ASP H 1.0 . 3.60 767 760 A 34 TYR HD% A 80 ILE H 1.0 . 5.30 768 761 A 80 ILE H A 34 TYR HB2 1.0 . 5.70 769 762 A 80 ILE HD1% A 81 GLY H 1.0 . 5.10 770 763 A 11 TYR HE% A 81 GLY H 1.0 . 4.90 771 764 A 81 GLY H A 34 TYR HA 1.0 . 5.22 772 765 A 81 GLY H A 79 ILE HG2% 1.0 . 5.54 773 766 A 81 GLY H A 80 ILE HA 1.0 . 3.48 774 767 A 80 ILE HG2% A 81 GLY H 1.0 . 4.32 775 768 A 81 GLY H A 80 ILE HB 1.0 . 4.40 776 769 A 82 GLU HBy A 81 GLY H 1.0 . 5.60 777 770 A 81 GLY H A 32 LYS HDy 1.0 . 6.10 778 771 A 81 GLY H A 35 ASP H 1.0 . 5.20 779 772 A 33 VAL H A 81 GLY H 1.0 . 4.30 780 773 A 81 GLY H A 33 VAL HGx% 1.0 . 2.80 781 774 A 79 ILE HD1% A 81 GLY H 1.0 . 2.10 782 775 A 81 GLY H A 79 ILE H 1.0 . 6.00 783 776 A 81 GLY HAy A 81 GLY H 1.0 . 2.70 784 777 A 9 LYS H A 81 GLY H 1.0 . 5.00 785 778 A 81 GLY H A 79 ILE HA 1.0 . 3.90 786 779 A 9 LYS HBx A 82 GLU H 1.0 . 4.30 787 780 A 33 VAL HB A 82 GLU H 1.0 . 5.20 788 781 A 10 TYR HBy A 82 GLU H 1.0 . 5.70 789 782 A 10 TYR HBx A 82 GLU H 1.0 . 5.60 790 783 A 10 TYR H A 82 GLU H 1.0 . 5.50 791 784 A 83 LEU HA A 82 GLU H 1.0 . 5.50 792 785 A 11 TYR HD% A 82 GLU H 1.0 . 5.54 793 786 A 11 TYR HE% A 82 GLU H 1.0 . 5.50 794 787 A 32 LYS HA A 82 GLU H 1.0 . 5.80 795 788 A 82 GLU H A 32 LYS HGy 1.0 . 5.10 796 789 A 9 LYS HA A 82 GLU H 1.0 . 5.00 797 790 A 81 GLY HAy A 82 GLU H 1.0 . 2.60 798 791 A 33 VAL HGx% A 82 GLU H 1.0 . 5.50 799 792 A 79 ILE HD1% A 82 GLU H 1.0 . 5.70 800 793 A 33 VAL HGy% A 82 GLU H 1.0 . 5.50 801 794 A 80 ILE HG2% A 82 GLU H 1.0 . 5.20 802 795 A 81 GLY H A 82 GLU H 1.0 . 4.30 803 796 A 81 GLY HAx A 82 GLU H 1.0 . 2.57 804 797 A 82 GLU HA A 82 GLU H 1.0 . 3.10 805 798 A 82 GLU HGy A 82 GLU H 1.0 . 2.70 806 799 A 82 GLU H A 82 GLU HB2 1.0 . 3.70 807 800 A 11 TYR H A 82 GLU H 1.0 . 3.55 808 801 A 83 LEU H A 82 GLU H 1.0 . 4.50 809 802 A 9 LYS H A 82 GLU H 1.0 . 3.80 810 803 A 10 TYR HD% A 82 GLU H 1.0 . 5.50 811 804 A 11 TYR HD% A 83 LEU H 1.0 . 5.90 812 805 A 13 LEU HDx% A 83 LEU H 1.0 . 5.90 813 806 A 83 LEU H A 31 HIS HBy 1.0 . 5.70 814 807 A 33 VAL HB A 83 LEU H 1.0 . 4.30 815 808 A 83 LEU H A 33 VAL H 1.0 . 2.30 816 809 A 82 GLU HGy A 83 LEU H 1.0 . 4.50 817 810 A 33 VAL HA A 83 LEU H 1.0 . 5.80 818 811 A 10 TYR HA A 83 LEU H 1.0 . 5.30 819 812 A 83 LEU H A 81 GLY H 1.0 . 6.00 820 813 A 83 LEU H A 82 GLU HA 1.0 . 2.20 821 814 A 84 HIS H A 83 LEU H 1.0 . 4.55 822 815 A 83 LEU HA A 83 LEU H 1.0 . 3.10 823 816 A 83 LEU HBy A 83 LEU H 1.0 . 2.40 824 817 A 83 LEU HDy% A 83 LEU H 1.0 . 3.90 825 818 A 32 LYS HA A 83 LEU H 1.0 . 2.30 826 819 A 83 LEU H A 31 HIS HA 1.0 . 5.20 827 820 A 28 ILE HB A 83 LEU H 1.0 . 4.90 828 821 A 33 VAL HGy% A 83 LEU H 1.0 . 4.30 829 822 A 83 LEU H A 79 ILE HD1% 1.0 . 5.90 830 823 A 10 TYR HBx A 84 HIS H 1.0 . 4.80 831 824 A 84 HIS H A 87 ASP HBy 1.0 . 4.30 832 825 A 11 TYR H A 84 HIS H 1.0 . 4.13 833 826 A 82 GLU HGy A 84 HIS H 1.0 . 5.47 834 827 A 33 VAL HB A 84 HIS H 1.0 . 5.80 835 828 A 83 LEU HBx A 84 HIS H 1.0 . 4.30 836 829 A 84 HIS H A 88 ARG HBy 1.0 . 6.00 837 830 A 84 HIS H A 13 LEU HDx% 1.0 . 5.45 838 831 A 83 LEU HDy% A 84 HIS H 1.0 . 2.40 839 832 A 12 THR HA A 84 HIS H 1.0 . 3.20 840 833 A 84 HIS H A 85 PRO HDy 1.0 . 4.85 841 834 A 84 HIS H A 87 ASP H 1.0 . 5.50 842 835 A 84 HIS H A 88 ARG HA 1.0 . 6.10 843 836 A 10 TYR HA A 84 HIS H 1.0 . 5.30 844 837 A 83 LEU HA A 84 HIS H 1.0 . 2.30 845 838 A 84 HIS HBy A 84 HIS H 1.0 . 2.40 846 839 A 84 HIS HD2 A 84 HIS H 1.0 . 4.50 847 840 A 84 HIS H A 13 LEU HDx% 1.0 . 5.55 848 841 A 12 THR HA A 84 HIS H 1.0 . 4.40 849 842 A 84 HIS H A 13 LEU HBx 1.0 . 6.00 850 843 A 84 HIS H A 12 THR HG2% 1.0 . 5.10 851 844 A 84 HIS H A 86 ASP H 1.0 . 5.43 852 845 A 84 HIS HD2 A 86 ASP H 1.0 . 5.95 853 846 A 86 ASP H A 85 PRO HBy 1.0 . 4.20 854 847 A 85 PRO HDy A 86 ASP H 1.0 . 4.45 855 848 A 86 ASP H A 85 PRO HGy 1.0 . 4.10 856 849 A 87 ASP H A 86 ASP H 1.0 . 2.80 857 850 A 87 ASP HA A 86 ASP H 1.0 . 5.09 858 851 A 86 ASP H A 88 ARG H 1.0 . 4.20 859 852 A 86 ASP H A 86 ASP HA 1.0 . 3.10 860 853 A 86 ASP H A 86 ASP HB2 1.0 . 2.30 861 854 A 85 PRO HDy A 87 ASP H 1.0 . 5.12 862 855 A 87 ASP H A 86 ASP HA 1.0 . 3.50 863 856 A 88 ARG HA A 87 ASP H 1.0 . 5.46 864 857 A 87 ASP H A 88 ARG HE 1.0 . 5.20 865 858 A 84 HIS HD2 A 87 ASP H 1.0 . 5.80 866 859 A 87 ASP H A 90 LYS HDy 1.0 . 5.40 867 860 A 83 LEU HDy% A 87 ASP H 1.0 . 5.25 868 861 A 87 ASP H A 88 ARG HBy 1.0 . 4.86 869 862 A 87 ASP HA A 87 ASP H 1.0 . 3.10 870 863 A 87 ASP H A 87 ASP HB2 1.0 . 2.70 871 864 A 84 HIS HBx A 87 ASP H 1.0 . 3.20 872 865 A 87 ASP H A 91 ILE H 1.0 . 6.00 873 866 A 13 LEU HBx A 87 ASP H 1.0 . 5.80 874 867 A 87 ASP H A 85 PRO HG2 1.0 . 5.20 875 868 A 88 ARG HGx A 87 ASP H 1.0 . 4.90 876 869 A 85 PRO HDy A 88 ARG H 1.0 . 6.00 877 870 A 88 ARG H A 86 ASP HA 1.0 . 4.60 878 871 A 88 ARG H A 86 ASP HBy 1.0 . 5.40 879 872 A 86 ASP H A 88 ARG H 1.0 . 4.20 880 873 A 87 ASP HA A 88 ARG H 1.0 . 3.50 881 874 A 87 ASP H A 88 ARG H 1.0 . 2.80 882 875 A 13 LEU HDy% A 88 ARG H 1.0 . 3.95 883 876 A 88 ARG H A 88 ARG HE 1.0 . 4.70 884 877 A 88 ARG HA A 88 ARG H 1.0 . 3.00 885 878 A 88 ARG H A 88 ARG HDy 1.0 . 4.30 886 879 A 88 ARG H A 88 ARG HBy 1.0 . 2.80 887 880 A 88 ARG HGx A 88 ARG H 1.0 . 2.90 888 881 A 88 ARG HGx A 89 SER H 1.0 . 4.47 889 882 A 13 LEU HDy% A 89 SER H 1.0 . 4.70 890 883 A 89 SER H A 88 ARG HBx 1.0 . 3.50 891 884 A 88 ARG H A 89 SER H 1.0 . 2.80 892 885 A 89 SER H A 88 ARG HBy 1.0 . 4.00 893 886 A 89 SER H A 90 LYS HA 1.0 . 5.24 894 887 A 87 ASP HA A 89 SER H 1.0 . 4.40 895 888 A 88 ARG HA A 89 SER H 1.0 . 3.50 896 889 A 89 SER H A 89 SER HBy 1.0 . 2.30 897 890 A 89 SER H A 89 SER HA 1.0 . 3.10 898 891 A 87 ASP HB2 A 89 SER H 1.0 . 5.40 899 892 A 13 LEU HBx A 89 SER H 1.0 . 6.00 900 893 A 28 ILE HD1% A 89 SER H 1.0 . 5.80 901 894 A 87 ASP HA A 90 LYS H 1.0 . 3.40 902 895 A 88 ARG H A 90 LYS H 1.0 . 4.20 903 896 A 89 SER H A 90 LYS H 1.0 . 2.80 904 897 A 89 SER HA A 90 LYS H 1.0 . 3.50 905 898 A 90 LYS HA A 90 LYS H 1.0 . 3.00 906 899 A 87 ASP H A 90 LYS H 1.0 . 4.70 907 900 A 91 ILE H A 89 SER HBy 1.0 . 5.61 908 901 A 88 ARG HA A 91 ILE H 1.0 . 4.60 909 902 A 91 ILE H A 90 LYS HA 1.0 . 4.27 910 903 A 87 ASP HA A 91 ILE H 1.0 . 3.60 911 904 A 13 LEU HDx% A 91 ILE H 1.0 . 5.50 912 905 A 91 ILE H A 83 LEU HDx% 1.0 . 5.20 913 906 A 91 ILE H A 89 SER HA 1.0 . 4.80 914 907 A 87 ASP HBy A 91 ILE H 1.0 . 4.90 915 908 A 90 LYS HDy A 91 ILE H 1.0 . 4.70 916 909 A 13 LEU HBx A 91 ILE H 1.0 . 5.00 917 910 A 13 LEU HBy A 91 ILE H 1.0 . 4.30 918 911 A 91 ILE H A 92 ALA HA 1.0 . 4.80 919 912 A 88 ARG H A 91 ILE H 1.0 . 5.10 920 913 A 91 ILE HD1% A 91 ILE H 1.0 . 4.00 921 914 A 91 ILE H A 91 ILE HB 1.0 . 3.00 922 915 A 91 ILE H A 91 ILE HA 1.0 . 3.00 923 916 A 91 ILE H A 92 ALA HB% 1.0 . 4.80 924 917 A 90 LYS H A 92 ALA H 1.0 . 5.18 925 918 A 90 LYS HA A 92 ALA H 1.0 . 4.23 926 919 A 92 ALA H A 91 ILE HG1y 1.0 . 4.50 927 920 A 92 ALA H A 91 ILE HG2% 1.0 . 5.65 928 921 A 91 ILE H A 92 ALA H 1.0 . 4.25 929 922 A 91 ILE HA A 92 ALA H 1.0 . 4.14 930 923 A 92 ALA HA A 92 ALA H 1.0 . 3.00 931 924 A 92 ALA HB% A 92 ALA H 1.0 . 2.30 932 925 A 92 ALA H A 93 LYS HG2 1.0 . 5.30 933 926 A 92 ALA HB% A 93 LYS H 1.0 . 3.50 934 927 A 92 ALA HA A 93 LYS H 1.0 . 3.80 935 928 A 91 ILE HA A 93 LYS H 1.0 . 3.80 936 929 A 91 ILE HG1y A 93 LYS H 1.0 . 6.00 937 930 A 93 LYS H A 93 LYS HA 1.0 . 3.10 938 931 A 93 LYS H A 93 LYS HDy 1.0 . 5.10 939 932 A 93 LYS H A 93 LYS HGy 1.0 . 4.50 940 933 A 95 SER HA A 96 GLU H 1.0 . 4.51 941 934 A 96 GLU H A 96 GLU HA 1.0 . 3.10 942 935 A 97 THR H A 97 THR HA 1.0 . 3.20 943 936 A 95 SER HA A 98 LEU H 1.0 . 5.86 944 937 A 96 GLU H A 98 LEU H 1.0 . 3.80 945 938 A 96 GLU HA A 98 LEU H 1.0 . 5.00 946 939 A 98 LEU H A 97 THR HG2% 1.0 . 3.10 947 940 A 97 THR HA A 98 LEU H 1.0 . 3.79 948 941 A 98 LEU H A 98 LEU HD11 1.0 . 4.20 949 942 A 98 LEU H A 98 LEU HA 1.0 . 3.10 950 943 A 98 LEU H A 98 LEU HG 1.0 . 4.90 951 944 A 98 LEU H A 98 LEU HB2 1.0 . 3.10 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 83 LEU HBx A 16 ILE HD1% 1.0 . 5.50 2 2 A 13 LEU HBy A 16 ILE HD1% 1.0 . 5.50 3 3 A 16 ILE HD1% A 28 ILE HB 1.0 . 5.50 4 4 A 16 ILE HB A 13 LEU HDx% 1.0 . 5.50 5 5 A 83 LEU HDy% A 13 LEU HDx% 1.0 . 5.50 6 6 A 27 VAL HGy% A 50 LEU HBy 1.0 . 5.93 7 7 A 27 VAL HGy% A 78 TYR HBx 1.0 . 5.70 8 8 A 28 ILE HD1% A 13 LEU HG 1.0 . 5.30 9 9 A 33 VAL HB A 28 ILE HD1% 1.0 . 6.00 10 10 A 28 ILE HD1% A 88 ARG HBy 1.0 . 3.50 11 10 A 28 ILE HD1% A 88 ARG HBx 1.0 . 3.50 12 11 A 28 ILE HD1% A 31 HIS HBy 1.0 . 5.70 13 12 A 28 ILE HD1% A 92 ALA HB% 1.0 . 5.30 14 13 A 33 VAL HGy% A 83 LEU HDx% 1.0 . 5.40 15 14 A 33 VAL HGy% A 27 VAL HGy% 1.0 . 5.80 16 15 A 33 VAL HGy% A 29 LEU HD2% 1.0 . 5.85 17 16 A 33 VAL HGy% A 13 LEU HDy% 1.0 . 5.65 18 17 A 36 LEU HDy% A 40 LEU HG 1.0 . 5.60 19 18 A 36 LEU HDy% A 58 ALA HB% 1.0 . 5.50 20 19 A 36 LEU HDy% A 50 LEU HDy% 1.0 . 5.80 21 20 A 36 LEU HDy% A 27 VAL HGx% 1.0 . 5.00 22 21 A 25 THR HG2% A 40 LEU HDx% 1.0 . 5.50 23 22 A 37 THR HG2% A 40 LEU HDx% 1.0 . 5.50 24 23 A 40 LEU HDx% A 47 GLU HBy 1.0 . 3.50 25 24 A 23 LYS HBx A 40 LEU HDx% 1.0 . 5.70 26 25 A 40 LEU HDx% A 49 VAL HGx% 1.0 . 6.00 27 26 A 40 LEU HDx% A 50 LEU HDx% 1.0 . 3.90 28 27 A 49 VAL HB A 49 VAL HGx% 1.0 . 2.00 29 28 A 49 VAL HGx% A 48 GLU HGy 1.0 . 5.50 30 29 A 49 VAL HGx% A 50 LEU HBy 1.0 . 5.60 31 30 A 49 VAL HGx% A 51 ARG HBy 1.0 . 5.90 32 31 A 49 VAL HGx% A 65 VAL HB 1.0 . 3.95 33 32 A 25 THR HG2% A 50 LEU HDx% 1.0 . 5.40 34 33 A 36 LEU HG A 50 LEU HDx% 1.0 . 5.90 35 34 A 36 LEU HBx A 50 LEU HDy% 1.0 . 5.20 36 35 A 50 LEU HDx% A 51 ARG HBy 1.0 . 5.50 37 36 A 58 ALA HB% A 65 VAL HGy% 1.0 . 6.00 38 37 A 49 VAL HGx% A 65 VAL HGy% 1.0 . 5.50 39 38 A 83 LEU HDy% A 88 ARG HBy 1.0 . 5.70 40 39 A 83 LEU HDy% A 13 LEU HBx 1.0 . 5.80 41 40 A 91 ILE HD1% A 14 GLU HGy 1.0 . 4.00 42 41 A 91 ILE HD1% A 14 GLU HBy 1.0 . 4.00 43 42 A 13 LEU HBy A 91 ILE HD1% 1.0 . 2.50 44 43 A 91 ILE HD1% A 94 PRO HGy 1.0 . 4.90 45 44 A 91 ILE HD1% A 16 ILE HB 1.0 . 6.10 46 45 A 3 GLN HGy A 10 TYR HD% 1.0 . 5.10 47 46 A 9 LYS HBx A 10 TYR HD% 1.0 . 5.65 48 47 A 10 TYR HD% A 85 PRO HGy 1.0 . 5.50 49 48 A 10 TYR HD% A 82 GLU HGy 1.0 . 4.75 50 49 A 9 LYS HBy A 10 TYR HD% 1.0 . 5.00 51 50 A 10 TYR HD% A 84 HIS HA 1.0 . 4.53 52 51 A 10 TYR HD% A 84 HIS HD2 1.0 . 3.94 53 52 A 10 TYR HD% A 85 PRO HDy 1.0 . 5.00 54 53 A 9 LYS HBy A 11 TYR HE% 1.0 . 4.30 55 54 A 11 TYR HE% A 15 GLU HGy 1.0 . 5.00 56 55 A 9 LYS HBx A 11 TYR HE% 1.0 . 4.58 57 56 A 11 TYR HE% A 11 TYR HD% 1.0 . 3.56 58 57 A 11 TYR HE% A 26 TRP HD1 1.0 . 5.50 59 58 A 11 TYR HE% A 26 TRP HZ2 1.0 . 4.46 60 59 A 11 TYR HE% A 33 VAL HGy% 1.0 . 4.67 61 60 A 11 TYR HE% A 33 VAL HGx% 1.0 . 4.70 62 61 A 11 TYR HE% A 80 ILE HB 1.0 . 5.74 63 62 A 81 GLY HAx A 11 TYR HE% 1.0 . 4.45 64 63 A 11 TYR HE% A 26 TRP HBx 1.0 . 4.85 65 64 A 11 TYR HE% A 80 ILE HB 1.0 . 5.60 66 65 A 11 TYR HD% A 9 LYS HD3 1.0 . 5.83 67 66 A 11 TYR HD% A 16 ILE HB 1.0 . 6.00 68 67 A 11 TYR HD% A 9 LYS HEy 1.0 . 5.90 69 68 A 10 TYR HA A 11 TYR HD% 1.0 . 5.00 70 69 A 83 LEU HA A 11 TYR HD% 1.0 . 5.60 71 70 A 11 TYR HD% A 11 TYR HBx 1.0 . 3.00 72 71 A 11 TYR HD% A 26 TRP HD1 1.0 . 5.80 73 72 A 11 TYR HD% A 15 GLU HBy 1.0 . 5.10 74 73 A 11 TYR HD% A 80 ILE HD1% 1.0 . 5.38 75 74 A 11 TYR HD% A 33 VAL HGx% 1.0 . 3.70 76 75 A 11 TYR HD% A 28 ILE HG2% 1.0 . 5.80 77 76 A 26 TRP HD1 A 26 TRP HZ2 1.0 . 5.40 78 77 A 33 VAL HGy% A 26 TRP HD1 1.0 . 4.20 79 78 A 26 TRP HD1 A 33 VAL HGx% 1.0 . 4.85 80 79 A 26 TRP HE3 A 15 GLU HBy 1.0 . 5.66 81 80 A 16 ILE HD1% A 19 HIS HD1 1.0 . 5.80 82 81 A 26 TRP HE3 A 19 HIS HD1 1.0 . 6.00 83 82 A 21 ASP HBx A 23 LYS HZ% 1.0 . 5.17 84 83 A 21 ASP HBx A 22 SER HG 1.0 . 5.20 85 84 A 22 SER HG A 22 SER HBy 1.0 . 3.27 86 85 A 40 LEU HDy% A 22 SER HG 1.0 . 3.63 87 86 A 26 TRP HD1 A 26 TRP HBx 1.0 . 4.38 88 87 A 26 TRP HD1 A 35 ASP HA 1.0 . 2.60 89 88 A 26 TRP HD1 A 37 THR HB 1.0 . 5.60 90 89 A 26 TRP HD1 A 38 LYS H 1.0 . 6.00 91 90 A 26 TRP HD1 A 80 ILE HB 1.0 . 5.73 92 91 A 26 TRP HD1 A 35 ASP HBy 1.0 . 5.00 93 92 A 30 HIS HD2 A 30 HIS HD1 1.0 . 5.07 94 93 A 30 HIS HD1 A 30 HIS HBx 1.0 . 3.95 95 94 A 34 TYR HD% A 27 VAL HA 1.0 . 6.00 96 95 A 34 TYR HD% A 28 ILE HA 1.0 . 3.51 97 96 A 34 TYR HD% A 34 TYR HE% 1.0 . 2.71 98 97 A 34 TYR HD% A 78 TYR HBx 1.0 . 4.47 99 98 A 34 TYR HD% A 32 LYS HBy 1.0 . 5.00 100 99 A 34 TYR HD% A 78 TYR HA 1.0 . 5.50 101 100 A 42 GLU HBx A 43 PHE HZ 1.0 . 4.80 102 101 A 42 GLU HBy A 43 PHE HZ 1.0 . 5.39 103 102 A 65 VAL HB A 43 PHE HZ 1.0 . 5.90 104 103 A 43 PHE HZ A 67 PHE HBy 1.0 . 6.00 105 104 A 40 LEU HDy% A 43 PHE HD% 1.0 . 5.40 106 105 A 43 PHE HE% A 43 PHE HD% 1.0 . 2.60 107 106 A 43 PHE HD% A 46 GLY HAx 1.0 . 3.84 108 107 A 50 LEU HDy% A 43 PHE HD% 1.0 . 2.50 109 108 A 43 PHE HD% A 65 VAL HGy% 1.0 . 4.00 110 109 A 43 PHE HD% A 50 LEU HBy 1.0 . 4.80 111 110 A 43 PHE HD% A 65 VAL HB 1.0 . 5.43 112 111 A 42 GLU HBy A 43 PHE HD% 1.0 . 4.77 113 112 A 43 PHE HD% A 49 VAL HB 1.0 . 5.80 114 113 A 43 PHE HD% A 66 GLY HAx 1.0 . 4.72 115 113 A 43 PHE HD% A 66 GLY HAy 1.0 . 4.72 116 114 A 43 PHE HD% A 67 PHE HD% 1.0 . 4.00 117 115 A 43 PHE HD% A 67 PHE HZ 1.0 . 3.84 118 116 A 43 PHE HD% A 67 PHE HBy 1.0 . 5.88 119 117 A 43 PHE HD% A 67 PHE HA 1.0 . 5.30 120 118 A 43 PHE HD% A 66 GLY HAx 1.0 . 4.50 121 119 A 43 PHE HE% A 46 GLY HAx 1.0 . 5.40 122 120 A 43 PHE HE% A 65 VAL HGy% 1.0 . 4.00 123 121 A 43 PHE HE% A 50 LEU HDy% 1.0 . 2.60 124 122 A 43 PHE HE% A 50 LEU HBy 1.0 . 4.17 125 123 A 36 LEU HDx% A 43 PHE HE% 1.0 . 4.30 126 124 A 43 PHE HE% A 67 PHE HD% 1.0 . 3.00 127 125 A 43 PHE HE% A 67 PHE HZ 1.0 . 4.00 128 126 A 43 PHE HE% A 67 PHE HBy 1.0 . 4.83 129 127 A 43 PHE HE% A 67 PHE HA 1.0 . 4.61 130 128 A 43 PHE HE% A 70 ASP HBx 1.0 . 5.75 131 129 A 43 PHE HE% A 66 GLY HAx 1.0 . 3.21 132 130 A 43 PHE HE% A 39 PHE HA 1.0 . 5.00 133 131 A 50 LEU HA A 61 ASN HD22 1.0 . 4.47 134 132 A 58 ALA HB% A 61 ASN HD22 1.0 . 6.00 135 133 A 61 ASN HBy A 61 ASN HD22 1.0 . 4.18 136 134 A 57 ASP HBy A 61 ASN HD22 1.0 . 5.40 137 135 A 61 ASN HA A 61 ASN HD22 1.0 . 4.30 138 136 A 58 ALA HB% A 62 PHE HD% 1.0 . 5.22 139 137 A 27 VAL HGy% A 62 PHE HD% 1.0 . 4.89 140 138 A 36 LEU HDy% A 62 PHE HD% 1.0 . 5.00 141 139 A 39 PHE HD% A 62 PHE HD% 1.0 . 5.70 142 140 A 67 PHE HD% A 66 GLY HAx 1.0 . 4.44 143 140 A 66 GLY HAy A 67 PHE HD% 1.0 . 4.44 144 141 A 43 PHE HA A 67 PHE HD% 1.0 . 5.40 145 142 A 67 PHE HBy A 67 PHE HD% 1.0 . 3.80 146 143 A 67 PHE HD% A 67 PHE H 1.0 . 2.80 147 144 A 71 ALA HA A 67 PHE HD% 1.0 . 4.60 148 145 A 71 ALA HB% A 67 PHE HD% 1.0 . 4.52 149 146 A 72 ARG H A 67 PHE HD% 1.0 . 6.00 150 147 A 74 LEU HD2% A 67 PHE HD% 1.0 . 4.50 151 148 A 76 LYS HZ% A 76 LYS HA 1.0 . 5.80 152 149 A 76 LYS HZ% A 77 LYS HA 1.0 . 4.90 153 150 A 76 LYS HZ% A 77 LYS HGy 1.0 . 4.85 154 151 A 78 TYR HE% A 77 LYS HGy 1.0 . 5.00 155 152 A 35 ASP HBy A 78 TYR HE% 1.0 . 4.80 156 153 A 38 LYS HGy A 78 TYR HE% 1.0 . 3.84 157 154 A 38 LYS HBy A 78 TYR HE% 1.0 . 3.35 158 155 A 39 PHE HA A 78 TYR HE% 1.0 . 4.94 159 156 A 39 PHE H A 78 TYR HE% 1.0 . 4.53 160 157 A 78 TYR HE% A 74 LEU HBy 1.0 . 4.81 161 158 A 78 TYR HE% A 77 LYS HDy 1.0 . 4.22 162 159 A 78 TYR HD% A 78 TYR HE% 1.0 . 3.10 163 160 A 78 TYR HE% A 78 TYR HA 1.0 . 4.75 164 161 A 78 TYR HD% A 35 ASP HBy 1.0 . 3.02 165 162 A 78 TYR HD% A 35 ASP HA 1.0 . 5.66 166 163 A 78 TYR HD% A 38 LYS HBy 1.0 . 3.85 167 164 A 78 TYR HD% A 39 PHE HA 1.0 . 4.68 168 165 A 78 TYR HD% A 74 LEU HA 1.0 . 4.87 169 166 A 78 TYR HD% A 74 LEU HBy 1.0 . 5.40 170 167 A 78 TYR HD% A 74 LEU HD2% 1.0 . 3.46 171 168 A 78 TYR HD% A 77 LYS HGy 1.0 . 4.95 172 169 A 78 TYR HD% A 78 TYR HBy 1.0 . 3.11 173 170 A 78 TYR HD% A 35 ASP HBx 1.0 . 3.53 174 171 A 78 TYR HD% A 34 TYR HBy 1.0 . 5.40 175 172 A 78 TYR HD% A 78 TYR HBx 1.0 . 3.32 176 173 A 78 TYR HD% A 38 LYS HGy 1.0 . 5.17 177 174 A 37 THR HG2% A 78 TYR HD% 1.0 . 5.80 178 175 A 79 ILE H A 79 ILE HG1y 1.0 . 4.71 179 176 A 10 TYR HA A 84 HIS HD2 1.0 . 4.80 180 177 A 84 HIS HD2 A 83 LEU HA 1.0 . 5.80 181 178 A 84 HIS HD2 A 10 TYR HE% 1.0 . 4.70 182 179 A 84 HIS HD2 A 85 PRO HDy 1.0 . 4.17 183 180 A 88 ARG HE A 31 HIS HE1 1.0 . 4.90 184 181 A 88 ARG HE A 88 ARG HDx 1.0 . 3.36 185 182 A 30 HIS HD1 A 88 ARG HDx 1.0 . 5.00 186 183 A 90 LYS HZ% A 14 GLU HGy 1.0 . 4.66 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 36 LEU H A 25 THR O 1.0 . 3.00 2 2 A 25 THR O A 36 LEU N 1.0 . 4.00 3 3 A 34 TYR H A 27 VAL O 1.0 . 2.50 4 4 A 27 VAL O A 34 TYR N 1.0 . 3.50 5 5 A 27 VAL H A 34 TYR O 1.0 . 3.00 6 6 A 34 TYR O A 27 VAL N 1.0 . 4.00 7 7 A 34 TYR H A 27 VAL O 1.0 . 2.50 8 8 A 27 VAL O A 34 TYR N 1.0 . 3.50 9 9 A 29 LEU H A 32 LYS O 1.0 . 2.50 10 10 A 32 LYS O A 29 LEU N 1.0 . 3.50 11 11 A 83 LEU H A 31 HIS O 1.0 . 3.50 12 12 A 31 HIS O A 83 LEU N 1.0 . 4.50 13 13 A 81 GLY H A 33 VAL O 1.0 . 3.00 14 14 A 33 VAL O A 81 GLY N 1.0 . 4.00 15 15 A 35 ASP H A 78 TYR O 1.0 . 2.50 16 16 A 78 TYR O A 35 ASP N 1.0 . 3.50 17 17 A 82 GLU H A 9 LYS O 1.0 . 2.20 18 18 A 84 HIS H A 11 TYR O 1.0 . 2.20 19 19 A 11 TYR H A 82 GLU O 1.0 . 2.20 20 20 A 28 ILE H A 56 GLY O 1.0 . 3.80 21 21 A 55 GLY H A 26 TRP O 1.0 . 2.00 22 22 A 13 LEU O A 17 GLN N 1.0 . 3.50 23 23 A 13 LEU O A 17 GLN H 1.0 . 2.50 24 24 A 42 GLU H A 38 LYS O 1.0 . 2.50 25 25 A 38 LYS O A 42 GLU N 1.0 . 3.50 26 26 A 37 THR O A 41 GLU N 1.0 . 4.09 27 27 A 51 ARG H A 47 GLU O 1.0 . 2.50 28 28 A 47 GLU O A 51 ARG N 1.0 . 3.50 29 29 A 65 VAL H A 61 ASN O 1.0 . 2.50 30 30 A 61 ASN O A 65 VAL N 1.0 . 3.50 31 31 A 74 LEU H A 70 ASP O 1.0 . 2.50 32 32 A 70 ASP O A 74 LEU N 1.0 . 3.50 33 33 A 73 GLU H A 69 THR O 1.0 . 2.50 34 34 A 69 THR O A 73 GLU N 1.0 . 3.50 35 35 A 90 LYS H A 86 ASP O 1.0 . 2.50 36 36 A 86 ASP O A 90 LYS N 1.0 . 3.50 stop_ save_ save_DYANA/DIANA_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_5 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 GLU C A 3 GLN N A 3 GLN CA A 3 GLN C 1.0 -100.0 -40.0 PHI 2 2 A 3 GLN N A 3 GLN CA A 3 GLN C A 4 SER N 1.0 110.0 180.0 PSI 3 3 A 3 GLN C A 4 SER N A 4 SER CA A 4 SER C 1.0 -130.0 -40.0 PHI 4 4 A 4 SER N A 4 SER CA A 4 SER C A 5 ASP N 1.0 -70.0 30.0 PSI 5 5 A 4 SER C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 -107.9 -47.9 PHI 6 6 A 5 ASP N A 5 ASP CA A 5 ASP C A 6 LYS N 1.0 -179.0 180.0 PSI 7 7 A 5 ASP C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -100.0 -40.0 PHI 8 8 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 ASP N 1.0 -179.0 180.0 PSI 9 9 A 6 LYS C A 7 ASP N A 7 ASP CA A 7 ASP C 1.0 -180.0 0.0 PHI 10 10 A 7 ASP N A 7 ASP CA A 7 ASP C A 8 VAL N 1.0 -179.0 180.0 PSI 11 11 A 8 VAL C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -159.0 -87.0 PHI 12 12 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 TYR N 1.0 105.0 163.0 PSI 13 13 A 9 LYS C A 10 TYR N A 10 TYR CA A 10 TYR C 1.0 -180.0 -79.0 PHI 14 14 A 10 TYR N A 10 TYR CA A 10 TYR C A 11 TYR N 1.0 89.0 175.0 PSI 15 15 A 10 TYR C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -179.0 -78.0 PHI 16 16 A 11 TYR N A 11 TYR CA A 11 TYR C A 12 THR N 1.0 105.0 155.0 PSI 17 17 A 11 TYR C A 12 THR N A 12 THR CA A 12 THR C 1.0 -186.6 -53.4 PHI 18 18 A 12 THR N A 12 THR CA A 12 THR C A 13 LEU N 1.0 -179.0 180.0 PSI 19 19 A 12 THR C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -77.0 -37.0 PHI 20 20 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 GLU N 1.0 -67.0 -21.0 PSI 21 21 A 13 LEU C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -97.0 -17.0 PHI 22 22 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 GLU N 1.0 -87.0 -7.0 PSI 23 23 A 14 GLU C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -97.0 -17.0 PHI 24 24 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 ILE N 1.0 -87.0 -7.0 PSI 25 25 A 15 GLU C A 16 ILE N A 16 ILE CA A 16 ILE C 1.0 -97.0 -17.0 PHI 26 26 A 16 ILE N A 16 ILE CA A 16 ILE C A 17 GLN N 1.0 -87.0 -7.0 PSI 27 27 A 16 ILE C A 17 GLN N A 17 GLN CA A 17 GLN C 1.0 -77.0 -37.0 PHI 28 28 A 17 GLN N A 17 GLN CA A 17 GLN C A 18 LYS N 1.0 -67.0 -20.0 PSI 29 29 A 18 LYS C A 19 HIS N A 19 HIS CA A 19 HIS C 1.0 -180.0 0.0 PHI 30 30 A 19 HIS N A 19 HIS CA A 19 HIS C A 20 LYS N 1.0 -179.0 180.0 PSI 31 31 A 19 HIS C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -111.0 -51.0 PHI 32 32 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 ASP N 1.0 -179.0 180.0 PSI 33 33 A 20 LYS C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -122.1 -42.0 PHI 34 34 A 21 ASP N A 21 ASP CA A 21 ASP C A 22 SER N 1.0 -179.0 180.0 PSI 35 35 A 21 ASP C A 22 SER N A 22 SER CA A 22 SER C 1.0 -95.0 -35.0 PHI 36 36 A 22 SER N A 22 SER CA A 22 SER C A 23 LYS N 1.0 -179.0 180.0 PSI 37 37 A 22 SER C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -105.0 -45.0 PHI 38 38 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 SER N 1.0 -179.0 180.0 PSI 39 39 A 23 LYS C A 24 SER N A 24 SER CA A 24 SER C 1.0 -132.0 -47.0 PHI 40 40 A 24 SER N A 24 SER CA A 24 SER C A 25 THR N 1.0 -179.0 180.0 PSI 41 41 A 24 SER C A 25 THR N A 25 THR CA A 25 THR C 1.0 -159.0 -106.0 PHI 42 42 A 25 THR N A 25 THR CA A 25 THR C A 26 TRP N 1.0 105.0 155.0 PSI 43 43 A 25 THR C A 26 TRP N A 26 TRP CA A 26 TRP C 1.0 -179.0 -99.0 PHI 44 44 A 26 TRP N A 26 TRP CA A 26 TRP C A 27 VAL N 1.0 95.0 175.0 PSI 45 45 A 26 TRP C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -179.0 -99.0 PHI 46 46 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 ILE N 1.0 95.0 175.0 PSI 47 47 A 27 VAL C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -159.0 -119.0 PHI 48 48 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 LEU N 1.0 105.0 155.0 PSI 49 49 A 28 ILE C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -180.0 0.0 PHI 50 50 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 HIS N 1.0 -179.0 180.0 PSI 51 51 A 29 LEU C A 30 HIS N A 30 HIS CA A 30 HIS C 1.0 -180.0 0.0 PHI 52 52 A 30 HIS N A 30 HIS CA A 30 HIS C A 31 HIS N 1.0 -179.0 180.0 PSI 53 53 A 30 HIS C A 31 HIS N A 31 HIS CA A 31 HIS C 1.0 -138.0 -78.0 PHI 54 54 A 31 HIS N A 31 HIS CA A 31 HIS C A 32 LYS N 1.0 -180.0 0.0 PSI 55 55 A 31 HIS C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -130.2 -35.2 PHI 56 56 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 VAL N 1.0 -179.0 180.0 PSI 57 57 A 32 LYS C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -159.0 -111.0 PHI 58 58 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 TYR N 1.0 105.0 155.0 PSI 59 59 A 33 VAL C A 34 TYR N A 34 TYR CA A 34 TYR C 1.0 -179.0 -99.0 PHI 60 60 A 34 TYR N A 34 TYR CA A 34 TYR C A 35 ASP N 1.0 95.0 175.0 PSI 61 61 A 34 TYR C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -179.0 -69.0 PHI 62 62 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 LEU N 1.0 108.0 165.0 PSI 63 63 A 35 ASP C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -105.2 -45.2 PHI 64 64 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 THR N 1.0 -179.0 180.0 PSI 65 65 A 36 LEU C A 37 THR N A 37 THR CA A 37 THR C 1.0 -85.0 -25.0 PHI 66 66 A 37 THR N A 37 THR CA A 37 THR C A 38 LYS N 1.0 -77.0 -27.0 PSI 67 67 A 37 THR C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -97.0 -17.0 PHI 68 68 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 PHE N 1.0 -87.0 -7.0 PSI 69 69 A 38 LYS C A 39 PHE N A 39 PHE CA A 39 PHE C 1.0 -97.0 -17.0 PHI 70 70 A 39 PHE N A 39 PHE CA A 39 PHE C A 40 LEU N 1.0 -87.0 -7.0 PSI 71 71 A 39 PHE C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -97.0 -17.0 PHI 72 72 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 GLU N 1.0 -87.0 -7.0 PSI 73 73 A 40 LEU C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -97.0 -17.0 PHI 74 74 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 GLU N 1.0 -87.0 -7.0 PSI 75 75 A 41 GLU C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -77.0 -37.0 PHI 76 76 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 PHE N 1.0 -67.0 -27.0 PSI 77 77 A 42 GLU C A 43 PHE N A 43 PHE CA A 43 PHE C 1.0 -110.0 -50.0 PHI 78 78 A 43 PHE N A 43 PHE CA A 43 PHE C A 44 PRO N 1.0 -179.0 180.0 PSI 79 79 A 44 PRO N A 44 PRO CA A 44 PRO C A 45 GLY N 1.0 -179.0 180.0 PSI 80 80 A 44 PRO C A 45 GLY N A 45 GLY CA A 45 GLY C 1.0 -179.0 180.0 PHI 81 81 A 45 GLY N A 45 GLY CA A 45 GLY C A 46 GLY N 1.0 -179.0 180.0 PSI 82 82 A 45 GLY C A 46 GLY N A 46 GLY CA A 46 GLY C 1.0 -179.0 180.0 PHI 83 83 A 45 GLY C A 46 GLY N A 46 GLY CA A 46 GLY C 1.0 -179.0 180.0 PHI 84 84 A 46 GLY C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -70.0 -37.0 PHI 85 85 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 GLU N 1.0 -67.0 -27.0 PSI 86 86 A 47 GLU C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -107.0 -7.0 PHI 87 87 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 VAL N 1.0 -87.0 -7.0 PSI 88 88 A 48 GLU C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -97.0 -17.0 PHI 89 89 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 LEU N 1.0 -87.0 -7.0 PSI 90 90 A 49 VAL C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -117.0 -9.0 PHI 91 91 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 ARG N 1.0 -87.0 -7.0 PSI 92 92 A 50 LEU C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -97.0 -17.0 PHI 93 93 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 GLU N 1.0 -87.0 -7.0 PSI 94 94 A 51 ARG C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -77.0 -37.0 PHI 95 95 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 GLN N 1.0 -67.0 -27.0 PSI 96 96 A 52 GLU C A 53 GLN N A 53 GLN CA A 53 GLN C 1.0 -132.0 -18.0 PHI 97 97 A 53 GLN N A 53 GLN CA A 53 GLN C A 54 ALA N 1.0 -82.0 22.0 PSI 98 98 A 53 GLN C A 54 ALA N A 54 ALA CA A 54 ALA C 1.0 -180.0 0.0 PHI 99 99 A 54 ALA N A 54 ALA CA A 54 ALA C A 55 GLY N 1.0 -179.0 180.0 PSI 100 100 A 54 ALA C A 55 GLY N A 55 GLY CA A 55 GLY C 1.0 -179.0 180.0 PHI 101 101 A 55 GLY N A 55 GLY CA A 55 GLY C A 56 GLY N 1.0 -179.0 180.0 PSI 102 102 A 55 GLY C A 56 GLY N A 56 GLY CA A 56 GLY C 1.0 -180.0 0.0 PHI 103 103 A 56 GLY N A 56 GLY CA A 56 GLY C A 57 ASP N 1.0 -179.0 180.0 PSI 104 104 A 56 GLY C A 57 ASP N A 57 ASP CA A 57 ASP C 1.0 -180.0 0.0 PHI 105 105 A 57 ASP N A 57 ASP CA A 57 ASP C A 58 ALA N 1.0 -179.0 180.0 PSI 106 106 A 57 ASP C A 58 ALA N A 58 ALA CA A 58 ALA C 1.0 -180.0 0.0 PHI 107 107 A 58 ALA N A 58 ALA CA A 58 ALA C A 59 THR N 1.0 -179.0 180.0 PSI 108 108 A 58 ALA C A 59 THR N A 59 THR CA A 59 THR C 1.0 -118.3 -58.3 PHI 109 109 A 59 THR N A 59 THR CA A 59 THR C A 60 GLU N 1.0 -179.0 180.0 PSI 110 110 A 59 THR C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -112.5 -46.5 PHI 111 111 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 ASN N 1.0 -179.0 180.0 PSI 112 112 A 60 GLU C A 61 ASN N A 61 ASN CA A 61 ASN C 1.0 -180.0 0.0 PHI 113 113 A 61 ASN N A 61 ASN CA A 61 ASN C A 62 PHE N 1.0 -179.0 180.0 PSI 114 114 A 61 ASN C A 62 PHE N A 62 PHE CA A 62 PHE C 1.0 -180.0 0.0 PHI 115 115 A 62 PHE N A 62 PHE CA A 62 PHE C A 63 GLU N 1.0 -179.0 180.0 PSI 116 116 A 62 PHE C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -180.0 0.0 PHI 117 117 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 ASP N 1.0 -179.0 180.0 PSI 118 118 A 63 GLU C A 64 ASP N A 64 ASP CA A 64 ASP C 1.0 -180.0 0.0 PHI 119 119 A 64 ASP N A 64 ASP CA A 64 ASP C A 65 VAL N 1.0 -179.0 180.0 PSI 120 120 A 64 ASP C A 65 VAL N A 65 VAL CA A 65 VAL C 1.0 -176.4 -63.6 PHI 121 121 A 65 VAL N A 65 VAL CA A 65 VAL C A 66 GLY N 1.0 -179.0 180.0 PSI 122 122 A 66 GLY C A 67 PHE N A 67 PHE CA A 67 PHE C 1.0 -180.0 0.0 PHI 123 123 A 67 PHE N A 67 PHE CA A 67 PHE C A 68 SER N 1.0 -179.0 180.0 PSI 124 124 A 67 PHE C A 68 SER N A 68 SER CA A 68 SER C 1.0 -180.0 0.0 PHI 125 125 A 68 SER N A 68 SER CA A 68 SER C A 69 THR N 1.0 -179.0 180.0 PSI 126 126 A 68 SER C A 69 THR N A 69 THR CA A 69 THR C 1.0 -97.0 -17.0 PHI 127 127 A 69 THR N A 69 THR CA A 69 THR C A 70 ASP N 1.0 -87.0 -7.0 PSI 128 128 A 69 THR C A 70 ASP N A 70 ASP CA A 70 ASP C 1.0 -97.0 -17.0 PHI 129 129 A 70 ASP N A 70 ASP CA A 70 ASP C A 71 ALA N 1.0 -87.0 -7.0 PSI 130 130 A 70 ASP C A 71 ALA N A 71 ALA CA A 71 ALA C 1.0 -97.0 -17.0 PHI 131 131 A 71 ALA N A 71 ALA CA A 71 ALA C A 72 ARG N 1.0 -87.0 -7.0 PSI 132 132 A 71 ALA C A 72 ARG N A 72 ARG CA A 72 ARG C 1.0 -97.0 -17.0 PHI 133 133 A 72 ARG N A 72 ARG CA A 72 ARG C A 73 GLU N 1.0 -87.0 -7.0 PSI 134 134 A 72 ARG C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -97.0 -17.0 PHI 135 135 A 73 GLU N A 73 GLU CA A 73 GLU C A 74 LEU N 1.0 -87.0 -7.0 PSI 136 136 A 73 GLU C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -97.0 -17.0 PHI 137 137 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 SER N 1.0 -87.0 -7.0 PSI 138 138 A 74 LEU C A 75 SER N A 75 SER CA A 75 SER C 1.0 -97.0 -17.0 PHI 139 139 A 75 SER N A 75 SER CA A 75 SER C A 76 LYS N 1.0 -87.0 -7.0 PSI 140 140 A 75 SER C A 76 LYS N A 76 LYS CA A 76 LYS C 1.0 -90.0 -40.0 PHI 141 141 A 76 LYS N A 76 LYS CA A 76 LYS C A 77 LYS N 1.0 -179.0 180.0 PSI 142 142 A 76 LYS C A 77 LYS N A 77 LYS CA A 77 LYS C 1.0 -99.4 -39.4 PHI 143 143 A 77 LYS N A 77 LYS CA A 77 LYS C A 78 TYR N 1.0 -179.0 180.0 PSI 144 144 A 77 LYS C A 78 TYR N A 78 TYR CA A 78 TYR C 1.0 -179.0 -93.0 PHI 145 145 A 78 TYR N A 78 TYR CA A 78 TYR C A 79 ILE N 1.0 -179.0 180.0 PSI 146 146 A 78 TYR C A 79 ILE N A 79 ILE CA A 79 ILE C 1.0 -179.0 -73.0 PHI 147 147 A 79 ILE N A 79 ILE CA A 79 ILE C A 80 ILE N 1.0 85.0 175.0 PSI 148 148 A 79 ILE C A 80 ILE N A 80 ILE CA A 80 ILE C 1.0 -179.0 -90.0 PHI 149 149 A 80 ILE N A 80 ILE CA A 80 ILE C A 81 GLY N 1.0 -22.0 175.0 PSI 150 150 A 81 GLY C A 82 GLU N A 82 GLU CA A 82 GLU C 1.0 -179.0 -99.0 PHI 151 151 A 82 GLU N A 82 GLU CA A 82 GLU C A 83 LEU N 1.0 95.0 175.0 PSI 152 152 A 82 GLU C A 83 LEU N A 83 LEU CA A 83 LEU C 1.0 -179.0 -53.0 PHI 153 153 A 83 LEU N A 83 LEU CA A 83 LEU C A 84 HIS N 1.0 95.0 175.0 PSI 154 154 A 83 LEU C A 84 HIS N A 84 HIS CA A 84 HIS C 1.0 -180.0 0.0 PHI 155 155 A 84 HIS N A 84 HIS CA A 84 HIS C A 85 PRO N 1.0 -179.0 180.0 PSI 156 156 A 85 PRO N A 85 PRO CA A 85 PRO C A 86 ASP N 1.0 -179.0 180.0 PSI 157 157 A 85 PRO C A 86 ASP N A 86 ASP CA A 86 ASP C 1.0 -97.0 -17.0 PHI 158 158 A 86 ASP N A 86 ASP CA A 86 ASP C A 87 ASP N 1.0 -87.0 -7.0 PSI 159 159 A 86 ASP C A 87 ASP N A 87 ASP CA A 87 ASP C 1.0 -97.0 -17.0 PHI 160 160 A 87 ASP N A 87 ASP CA A 87 ASP C A 88 ARG N 1.0 -87.0 -7.0 PSI 161 161 A 87 ASP C A 88 ARG N A 88 ARG CA A 88 ARG C 1.0 -97.0 -17.0 PHI 162 162 A 88 ARG N A 88 ARG CA A 88 ARG C A 89 SER N 1.0 -87.0 -7.0 PSI 163 163 A 88 ARG C A 89 SER N A 89 SER CA A 89 SER C 1.0 -97.0 -17.0 PHI 164 164 A 89 SER N A 89 SER CA A 89 SER C A 90 LYS N 1.0 -87.0 -7.0 PSI 165 165 A 89 SER C A 90 LYS N A 90 LYS CA A 90 LYS C 1.0 -97.0 -17.0 PHI 166 166 A 90 LYS N A 90 LYS CA A 90 LYS C A 91 ILE N 1.0 -87.0 -7.0 PSI 167 167 A 90 LYS C A 91 ILE N A 91 ILE CA A 91 ILE C 1.0 -168.0 -71.2 PHI 168 168 A 91 ILE N A 91 ILE CA A 91 ILE C A 92 ALA N 1.0 -179.0 180.0 PSI 169 169 A 91 ILE C A 92 ALA N A 92 ALA CA A 92 ALA C 1.0 -103.7 -43.7 PHI 170 170 A 92 ALA N A 92 ALA CA A 92 ALA C A 93 LYS N 1.0 -179.0 180.0 PSI 171 171 A 92 ALA C A 93 LYS N A 93 LYS CA A 93 LYS C 1.0 -180.0 0.0 PHI 172 172 A 93 LYS N A 93 LYS CA A 93 LYS C A 94 PRO N 1.0 -179.0 180.0 PSI 173 173 A 94 PRO N A 94 PRO CA A 94 PRO C A 95 SER N 1.0 -179.0 180.0 PSI 174 174 A 94 PRO C A 95 SER N A 95 SER CA A 95 SER C 1.0 -180.0 0.0 PHI 175 175 A 95 SER N A 95 SER CA A 95 SER C A 96 GLU N 1.0 -179.0 180.0 PSI 176 176 A 95 SER C A 96 GLU N A 96 GLU CA A 96 GLU C 1.0 -100.3 -40.3 PHI 177 177 A 96 GLU N A 96 GLU CA A 96 GLU C A 97 THR N 1.0 -179.0 180.0 PSI 178 178 A 96 GLU C A 97 THR N A 97 THR CA A 97 THR C 1.0 -187.1 -52.9 PHI 179 179 A 97 THR N A 97 THR CA A 97 THR C A 98 LEU N 1.0 -179.0 180.0 PSI stop_ save_