data_nef_c36185_5zuh 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 PDB 5ZUH 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 12 THR start . . 2 A 13 ASP middle . . 3 A 14 HIS middle . . 4 A 15 GLN middle . . 5 A 16 THR middle . . 6 A 17 VAL middle . . 7 A 18 TYR middle . . 8 A 19 VAL middle . . 9 A 20 LYS middle . . 10 A 21 PRO middle . false 11 A 22 VAL middle . . 12 A 23 PRO middle . false 13 A 24 PRO middle . false 14 A 25 THR middle . . 15 A 26 ALA middle . . 16 A 27 THR middle . . 17 A 28 LEU middle . . 18 A 29 GLU middle . . 19 A 30 GLN middle . . 20 A 31 LEU middle . . 21 A 32 THR middle . . 22 A 33 GLU middle . . 23 A 34 PHE middle . . 24 A 35 PHE middle . . 25 A 36 SER middle . . 26 A 37 LYS middle . . 27 A 38 HIS middle . . 28 A 39 GLY middle . false 29 A 40 THR middle . . 30 A 41 VAL middle . . 31 A 42 GLN middle . . 32 A 43 ALA middle . . 33 A 44 VAL middle . . 34 A 45 TRP middle . . 35 A 46 ARG middle . . 36 A 47 ARG middle . . 37 A 48 TYR middle . . 38 A 49 PHE middle . . 39 A 50 ALA middle . . 40 A 51 GLY middle . false 41 A 52 LYS middle . . 42 A 53 LYS middle . . 43 A 54 ASP middle . . 44 A 55 ALA middle . . 45 A 56 PRO middle . false 46 A 57 PRO middle . false 47 A 58 GLU middle . . 48 A 59 SER middle . . 49 A 60 ARG middle . . 50 A 61 THR middle . . 51 A 62 LYS middle . . 52 A 63 PRO middle . false 53 A 64 SER middle . . 54 A 65 VAL middle . . 55 A 66 PHE middle . . 56 A 67 VAL middle . . 57 A 68 VAL middle . . 58 A 69 PHE middle . . 59 A 70 ASN middle . . 60 A 71 SER middle . . 61 A 72 SER middle . . 62 A 73 GLU middle . . 63 A 74 GLU middle . . 64 A 75 ALA middle . . 65 A 76 GLU middle . . 66 A 77 ALA middle . . 67 A 78 PHE middle . . 68 A 79 GLN middle . . 69 A 80 LYS middle . . 70 A 81 ALA middle . . 71 A 82 PRO middle . false 72 A 83 PRO middle . false 73 A 84 MET middle . . 74 A 85 TYR middle . . 75 A 86 ASP middle . . 76 A 87 ASP middle . . 77 A 88 VAL middle . . 78 A 89 GLN middle . . 79 A 90 LEU middle . . 80 A 91 THR middle . . 81 A 92 ALA middle . . 82 A 93 GLU middle . . 83 A 94 MET middle . . 84 A 95 LYS middle . . 85 A 96 THR middle . . 86 A 97 THR middle . . 87 A 98 TYR middle . . 88 A 99 LEU middle . . 89 A 100 GLU middle . . 90 A 101 ARG middle . . 91 A 102 LYS middle . . 92 A 103 ALA middle . . 93 A 104 GLU middle . . 94 A 105 GLU middle . . 95 A 106 ILE middle . . 96 A 107 ALA middle . . 97 A 108 ALA middle . . 98 A 109 LYS middle . . 99 A 110 LYS 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 12 THR H1 H 1 8.2543 0.003 A 12 THR HA H 1 4.626 0.007 A 12 THR HB H 1 4.351 0.513 A 12 THR HG2% H 1 1.221 0.213 A 12 THR CA C 13 58.349 0.070 A 12 THR CB C 13 66.609 0.082 A 12 THR N N 15 115.072 0.027 A 13 ASP H H 1 8.984 0.005 A 13 ASP HA H 1 4.321 0.000 A 13 ASP HBy H 1 2.847 0.000 A 13 ASP HBx H 1 2.547 0.000 A 13 ASP CA C 13 52.016 0.002 A 13 ASP CB C 13 36.316 0.002 A 13 ASP N N 15 127.275 0.042 A 14 HIS H H 1 7.834 0.005 A 14 HIS HA H 1 4.477 0.008 A 14 HIS HBy H 1 3.285 0.069 A 14 HIS HBx H 1 3.200 0.016 A 14 HIS CA C 13 54.805 0.031 A 14 HIS CB C 13 26.223 0.063 A 14 HIS N N 15 121.040 0.033 A 15 GLN H H 1 7.474 0.005 A 15 GLN HA H 1 4.480 0.035 A 15 GLN HBy H 1 2.058 0.020 A 15 GLN HBx H 1 2.031 0.010 A 15 GLN HGx H 1 2.368 0.000 A 15 GLN HGy H 1 2.368 0.000 A 15 GLN CA C 13 51.355 0.059 A 15 GLN CB C 13 26.481 0.046 A 15 GLN N N 15 114.599 0.051 A 16 THR H H 1 7.449 0.054 A 16 THR HA H 1 3.994 0.018 A 16 THR HB H 1 3.927 0.000 A 16 THR HG2% H 1 0.997 0.057 A 16 THR CA C 13 58.885 0.025 A 16 THR CB C 13 66.201 0.036 A 16 THR N N 15 116.553 0.068 A 17 VAL H H 1 9.306 0.023 A 17 VAL HA H 1 4.830 0.023 A 17 VAL HB H 1 2.006 0.017 A 17 VAL HGx% H 1 1.180 0.011 A 17 VAL HGy% H 1 0.940 0.020 A 17 VAL CA C 13 57.299 0.019 A 17 VAL CB C 13 32.279 0.064 A 17 VAL N N 15 124.509 0.049 A 18 TYR H H 1 9.719 0.059 A 18 TYR HA H 1 4.942 0.046 A 18 TYR HBy H 1 2.995 0.024 A 18 TYR HBx H 1 2.482 0.008 A 18 TYR CA C 13 54.201 0.033 A 18 TYR CB C 13 36.510 0.084 A 18 TYR N N 15 129.093 0.052 A 19 VAL H H 1 8.365 0.008 A 19 VAL HA H 1 5.039 0.027 A 19 VAL HB H 1 1.650 0.014 A 19 VAL HGx% H 1 1.143 0.006 A 19 VAL HGy% H 1 0.935 0.015 A 19 VAL CA C 13 57.466 0.030 A 19 VAL CB C 13 32.089 0.027 A 19 VAL N N 15 127.368 0.053 A 20 LYS H H 1 8.244 0.013 A 20 LYS HA H 1 4.857 0.010 A 20 LYS HBx H 1 1.457 0.012 A 20 LYS HBy H 1 1.457 0.012 A 20 LYS HGx H 1 1.043 0.002 A 20 LYS HGy H 1 1.043 0.002 A 20 LYS HDx H 1 1.208 0.002 A 20 LYS HDy H 1 1.208 0.002 A 20 LYS HEx H 1 2.985 0.003 A 20 LYS HEy H 1 2.985 0.003 A 20 LYS CA C 13 50.700 0.013 A 20 LYS CB C 13 29.752 0.015 A 20 LYS N N 15 122.322 0.076 A 21 PRO HA H 1 4.357 0.139 A 21 PRO HBy H 1 2.752 0.000 A 21 PRO HBx H 1 2.005 0.002 A 21 PRO HGx H 1 1.868 0.021 A 21 PRO HGy H 1 1.868 0.021 A 21 PRO HDx H 1 3.024 0.010 A 21 PRO HDy H 1 3.024 0.010 A 21 PRO CA C 13 62.779 0.006 A 21 PRO CB C 13 35.465 0.075 A 21 PRO CG C 13 27.218 0.002 A 21 PRO CD C 13 49.545 0.002 A 22 VAL H H 1 8.232 0.013 A 22 VAL HA H 1 4.430 0.030 A 22 VAL HB H 1 2.106 0.021 A 22 VAL HGx% H 1 1.122 0.018 A 22 VAL HGy% H 1 0.963 0.025 A 22 VAL CA C 13 58.352 0.002 A 22 VAL CB C 13 29.279 0.002 A 22 VAL N N 15 127.592 0.173 A 24 PRO HA H 1 4.337 0.001 A 24 PRO HBy H 1 2.302 0.052 A 24 PRO HBx H 1 2.022 0.023 A 24 PRO HGy H 1 1.974 0.169 A 24 PRO HGx H 1 1.857 0.000 A 24 PRO HDx H 1 3.946 0.018 A 24 PRO HDy H 1 3.946 0.018 A 24 PRO CA C 13 61.566 0.061 A 24 PRO CB C 13 29.622 0.018 A 25 THR H H 1 7.060 0.034 A 25 THR HA H 1 4.457 0.000 A 25 THR HB H 1 4.147 0.010 A 25 THR HG2% H 1 1.231 0.012 A 25 THR CA C 13 57.953 0.025 A 25 THR CB C 13 66.043 0.036 A 25 THR N N 15 101.667 0.070 A 26 ALA H H 1 7.295 0.031 A 26 ALA HA H 1 4.513 0.008 A 26 ALA HB1 H 1 1.272 0.011 A 26 ALA HB2 H 1 1.232 0.012 A 26 ALA HB3 H 1 1.175 0.010 A 26 ALA CA C 13 49.428 0.012 A 26 ALA CB C 13 15.459 0.067 A 26 ALA N N 15 125.479 0.049 A 27 THR H H 1 8.695 0.020 A 27 THR HA H 1 4.857 0.011 A 27 THR HB H 1 4.479 0.012 A 27 THR HG2% H 1 1.386 0.011 A 27 THR CA C 13 57.103 0.024 A 27 THR CB C 13 67.940 0.001 A 27 THR N N 15 114.804 0.059 A 28 LEU H H 1 9.010 0.015 A 28 LEU HA H 1 4.002 0.025 A 28 LEU HBx H 1 1.749 0.009 A 28 LEU HBy H 1 1.868 0.012 A 28 LEU HG H 1 1.717 0.000 A 28 LEU HDx% H 1 0.968 0.016 A 28 LEU HDy% H 1 0.991 0.011 A 28 LEU CA C 13 55.272 0.022 A 28 LEU CB C 13 38.136 0.057 A 28 LEU N N 15 122.651 0.069 A 29 GLU H H 1 9.054 0.011 A 29 GLU HA H 1 4.034 0.003 A 29 GLU HBy H 1 2.117 0.021 A 29 GLU HBx H 1 1.977 0.024 A 29 GLU HGy H 1 2.401 0.020 A 29 GLU HGx H 1 2.300 0.020 A 29 GLU CA C 13 57.595 0.046 A 29 GLU CB C 13 25.863 0.000 A 29 GLU N N 15 121.337 0.057 A 30 GLN H H 1 7.925 0.021 A 30 GLN HA H 1 4.123 0.001 A 30 GLN HBy H 1 2.102 0.194 A 30 GLN HBx H 1 1.987 0.034 A 30 GLN HGy H 1 2.498 0.012 A 30 GLN HGx H 1 2.398 0.020 A 30 GLN CA C 13 55.824 0.106 A 30 GLN CB C 13 25.214 0.100 A 30 GLN N N 15 120.556 0.064 A 31 LEU H H 1 8.563 0.025 A 31 LEU HA H 1 4.115 0.032 A 31 LEU HBx H 1 1.429 0.014 A 31 LEU HG H 1 1.387 0.003 A 31 LEU HDx% H 1 0.666 0.016 A 31 LEU HDy% H 1 0.548 0.021 A 31 LEU CA C 13 54.691 0.036 A 31 LEU CB C 13 39.112 0.036 A 31 LEU N N 15 119.216 0.048 A 32 THR H H 1 8.890 0.017 A 32 THR HA H 1 4.301 0.006 A 32 THR HB H 1 3.742 0.025 A 32 THR HG2% H 1 1.141 0.014 A 32 THR CA C 13 58.160 0.000 A 32 THR CB C 13 65.099 0.017 A 32 THR N N 15 117.639 0.056 A 33 GLU H H 1 8.145 0.021 A 33 GLU HA H 1 3.987 0.016 A 33 GLU HBy H 1 2.166 0.015 A 33 GLU HBx H 1 2.091 0.003 A 33 GLU HGy H 1 2.368 0.004 A 33 GLU HGx H 1 2.230 0.002 A 33 GLU CA C 13 56.658 0.026 A 33 GLU CB C 13 26.302 0.062 A 33 GLU N N 15 123.482 0.061 A 34 PHE H H 1 7.882 0.016 A 34 PHE HA H 1 4.148 0.006 A 34 PHE HBy H 1 3.194 0.019 A 34 PHE HBx H 1 2.853 0.021 A 34 PHE CA C 13 58.867 0.007 A 34 PHE CB C 13 35.821 0.072 A 34 PHE N N 15 119.130 0.056 A 35 PHE H H 1 8.843 0.018 A 35 PHE HA H 1 4.136 0.014 A 35 PHE HBy H 1 2.873 0.018 A 35 PHE HBx H 1 2.620 0.014 A 35 PHE CA C 13 60.283 0.000 A 35 PHE CB C 13 35.748 0.076 A 35 PHE N N 15 116.389 0.071 A 36 SER H H 1 8.061 0.025 A 36 SER HA H 1 5.078 0.010 A 36 SER HBx H 1 3.880 0.185 A 36 SER HBy H 1 4.047 0.074 A 36 SER CA C 13 57.920 0.029 A 36 SER CB C 13 60.008 0.196 A 36 SER N N 15 114.287 0.095 A 37 LYS H H 1 7.273 0.048 A 37 LYS HA H 1 4.101 0.024 A 37 LYS HBx H 1 1.398 0.006 A 37 LYS HBy H 1 1.398 0.006 A 37 LYS HGx H 1 1.343 0.020 A 37 LYS HDx H 1 1.568 0.016 A 37 LYS HEx H 1 2.920 0.011 A 37 LYS CA C 13 54.472 0.030 A 37 LYS CB C 13 28.308 0.020 A 37 LYS N N 15 119.839 0.042 A 38 HIS H H 1 7.924 0.012 A 38 HIS HA H 1 4.679 0.024 A 38 HIS HBy H 1 3.739 0.008 A 38 HIS HBx H 1 3.063 0.007 A 38 HIS CA C 13 52.906 0.008 A 38 HIS CB C 13 29.321 0.088 A 38 HIS N N 15 116.395 0.054 A 39 GLY H H 1 7.565 0.023 A 39 GLY HAx H 1 3.949 0.024 A 39 GLY HAy H 1 3.975 0.019 A 39 GLY CA C 13 41.417 0.068 A 39 GLY N N 15 107.725 0.053 A 40 THR H H 1 8.838 0.022 A 40 THR HA H 1 4.405 0.029 A 40 THR HB H 1 4.314 0.000 A 40 THR HG2% H 1 1.186 0.010 A 40 THR CA C 13 59.762 0.210 A 40 THR CB C 13 64.821 0.085 A 40 THR N N 15 116.486 0.043 A 41 VAL H H 1 8.814 0.046 A 41 VAL HA H 1 3.660 0.016 A 41 VAL HB H 1 1.762 0.016 A 41 VAL HGx% H 1 0.470 0.015 A 41 VAL HGy% H 1 0.437 0.021 A 41 VAL CA C 13 59.339 0.063 A 41 VAL CB C 13 30.041 0.029 A 41 VAL N N 15 129.449 0.061 A 42 GLN H H 1 9.152 0.017 A 42 GLN HA H 1 4.218 0.008 A 42 GLN HBy H 1 1.783 0.163 A 42 GLN HBx H 1 1.627 0.020 A 42 GLN HGy H 1 2.118 0.019 A 42 GLN HGx H 1 1.986 0.021 A 42 GLN CA C 13 53.824 0.032 A 42 GLN CB C 13 26.771 0.100 A 42 GLN N N 15 126.853 0.065 A 43 ALA H H 1 7.436 0.027 A 43 ALA HA H 1 4.136 0.014 A 43 ALA HB1 H 1 0.921 0.016 A 43 ALA HB2 H 1 0.901 0.012 A 43 ALA HB3 H 1 0.882 0.021 A 43 ALA CA C 13 49.063 0.027 A 43 ALA CB C 13 18.749 0.009 A 43 ALA N N 15 118.573 0.091 A 44 VAL H H 1 7.600 0.045 A 44 VAL HA H 1 4.266 0.007 A 44 VAL HB H 1 1.701 0.041 A 44 VAL HGx% H 1 0.634 0.101 A 44 VAL HGy% H 1 0.468 0.055 A 44 VAL CA C 13 58.345 0.062 A 44 VAL CB C 13 30.676 0.056 A 44 VAL N N 15 119.178 0.053 A 45 TRP H H 1 9.219 0.015 A 45 TRP HA H 1 4.528 0.060 A 45 TRP HBy H 1 3.405 0.017 A 45 TRP HBx H 1 3.212 0.003 A 45 TRP CA C 13 57.082 0.064 A 45 TRP CB C 13 28.240 0.053 A 45 TRP N N 15 125.799 0.050 A 46 ARG H H 1 8.662 0.010 A 46 ARG HA H 1 4.257 0.014 A 46 ARG HBy H 1 1.869 0.006 A 46 ARG HBx H 1 1.803 0.005 A 46 ARG HGx H 1 0.934 1.108 A 46 ARG HGy H 1 1.422 0.000 A 46 ARG HDx H 1 2.970 0.046 A 46 ARG CA C 13 51.237 0.000 A 46 ARG CB C 13 27.118 0.092 A 46 ARG N N 15 120.805 0.071 A 47 ARG H H 1 8.362 0.026 A 47 ARG HA H 1 4.510 0.015 A 47 ARG HBy H 1 1.925 0.002 A 47 ARG HBx H 1 1.837 0.005 A 47 ARG HGx H 1 1.684 0.039 A 47 ARG HGy H 1 1.684 0.039 A 47 ARG HDx H 1 2.764 0.026 A 47 ARG HDy H 1 2.764 0.026 A 47 ARG CA C 13 51.810 0.023 A 47 ARG CB C 13 29.571 0.032 A 47 ARG N N 15 119.372 0.128 A 48 TYR H H 1 8.696 0.016 A 48 TYR HA H 1 5.113 0.180 A 48 TYR HBy H 1 3.198 0.017 A 48 TYR HBx H 1 2.601 0.011 A 48 TYR CA C 13 54.200 0.023 A 48 TYR CB C 13 38.767 0.041 A 48 TYR N N 15 119.784 0.042 A 49 PHE H H 1 8.852 0.015 A 49 PHE HA H 1 4.637 0.013 A 49 PHE HBy H 1 3.315 0.024 A 49 PHE HBx H 1 2.809 0.006 A 49 PHE CA C 13 55.221 0.005 A 49 PHE CB C 13 37.172 0.009 A 49 PHE N N 15 121.345 0.045 A 50 ALA H H 1 8.821 0.005 A 50 ALA HA H 1 4.380 0.011 A 50 ALA HB% H 1 1.506 0.012 A 50 ALA CA C 13 49.748 0.024 A 50 ALA CB C 13 16.127 0.026 A 50 ALA N N 15 126.277 0.062 A 51 GLY H H 1 8.453 0.006 A 51 GLY HAy H 1 4.040 0.004 A 51 GLY HAx H 1 3.904 0.044 A 51 GLY CA C 13 42.286 0.029 A 51 GLY N N 15 108.057 0.049 A 52 LYS H H 1 8.164 0.017 A 52 LYS HA H 1 4.425 0.011 A 52 LYS HBy H 1 1.944 0.034 A 52 LYS HBx H 1 1.731 0.013 A 52 LYS HGx H 1 1.423 0.011 A 52 LYS HGy H 1 1.423 0.011 A 52 LYS HDx H 1 1.617 0.000 A 52 LYS HDy H 1 1.617 0.000 A 52 LYS HEy H 1 3.206 0.021 A 52 LYS HEx H 1 3.079 0.000 A 52 LYS CA C 13 52.636 0.033 A 52 LYS CB C 13 29.879 0.007 A 52 LYS N N 15 120.636 0.048 A 53 LYS H H 1 8.329 0.009 A 53 LYS HA H 1 4.005 0.013 A 53 LYS HBy H 1 1.796 0.019 A 53 LYS HBx H 1 1.654 0.004 A 53 LYS HGy H 1 1.404 0.023 A 53 LYS HGx H 1 1.386 0.013 A 53 LYS HEx H 1 2.984 0.004 A 53 LYS HEy H 1 2.984 0.004 A 53 LYS CA C 13 55.375 0.032 A 53 LYS CB C 13 29.274 0.029 A 53 LYS N N 15 120.967 0.803 A 54 ASP H H 1 8.426 0.013 A 54 ASP HA H 1 4.548 0.011 A 54 ASP HBy H 1 2.725 0.012 A 54 ASP HBx H 1 2.632 0.015 A 54 ASP CA C 13 51.027 0.023 A 54 ASP CB C 13 37.043 0.049 A 54 ASP N N 15 117.278 0.061 A 55 ALA H H 1 7.539 0.019 A 55 ALA HA H 1 4.592 0.000 A 55 ALA HB% H 1 1.422 0.013 A 55 ALA CA C 13 47.315 0.000 A 55 ALA CB C 13 15.626 0.000 A 55 ALA N N 15 124.154 0.040 A 57 PRO HA H 1 4.153 0.002 A 57 PRO HBy H 1 2.260 0.005 A 57 PRO HBx H 1 1.942 0.003 A 57 PRO HGy H 1 2.158 0.000 A 57 PRO HGx H 1 2.023 0.000 A 57 PRO HDx H 1 3.846 0.027 A 57 PRO HDy H 1 3.846 0.027 A 57 PRO CA C 13 62.487 0.021 A 57 PRO CB C 13 28.756 0.036 A 57 PRO CG C 13 25.452 0.025 A 58 GLU H H 1 9.551 0.015 A 58 GLU HA H 1 4.127 0.012 A 58 GLU HBy H 1 2.045 0.011 A 58 GLU HBx H 1 1.876 0.012 A 58 GLU HGy H 1 2.309 0.016 A 58 GLU HGx H 1 2.220 0.012 A 58 GLU CA C 13 56.008 0.083 A 58 GLU CB C 13 25.326 0.059 A 58 GLU N N 15 117.660 0.053 A 59 SER H H 1 7.936 0.016 A 59 SER HA H 1 4.597 0.013 A 59 SER HBy H 1 3.952 0.009 A 59 SER HBx H 1 3.786 0.007 A 59 SER CA C 13 61.224 0.106 A 59 SER CB C 13 62.390 0.065 A 59 SER N N 15 114.708 0.066 A 60 ARG H H 1 7.984 0.009 A 60 ARG HA H 1 4.676 0.014 A 60 ARG HBy H 1 2.077 0.019 A 60 ARG HBx H 1 1.938 0.132 A 60 ARG HGx H 1 1.739 0.011 A 60 ARG HGy H 1 1.739 0.011 A 60 ARG HDx H 1 3.206 0.009 A 60 ARG HDy H 1 3.206 0.009 A 60 ARG CA C 13 53.319 0.019 A 60 ARG CB C 13 28.346 0.030 A 60 ARG N N 15 119.933 0.059 A 61 THR H H 1 7.919 0.005 A 61 THR HA H 1 4.348 0.014 A 61 THR HB H 1 4.155 0.023 A 61 THR HG2% H 1 1.299 0.018 A 61 THR CA C 13 60.483 0.032 A 61 THR CB C 13 66.415 0.001 A 61 THR N N 15 117.678 0.068 A 62 LYS H H 1 8.656 0.015 A 62 LYS HA H 1 4.562 0.012 A 62 LYS HBx H 1 1.635 0.018 A 62 LYS HBy H 1 1.635 0.018 A 62 LYS HGx H 1 1.343 0.021 A 62 LYS HGy H 1 1.343 0.021 A 62 LYS HDx H 1 1.468 0.012 A 62 LYS HDy H 1 1.468 0.012 A 62 LYS HEx H 1 2.875 0.003 A 62 LYS HEy H 1 2.875 0.003 A 62 LYS CA C 13 52.277 0.000 A 62 LYS CB C 13 29.787 0.000 A 62 LYS N N 15 125.400 0.060 A 63 PRO HA H 1 4.776 0.062 A 63 PRO HBx H 1 2.169 0.009 A 63 PRO HGx H 1 1.897 0.017 A 63 PRO HDx H 1 3.737 0.025 A 63 PRO CA C 13 60.317 0.031 A 63 PRO CB C 13 28.076 0.000 A 63 PRO CG C 13 25.142 0.000 A 64 SER H H 1 6.958 0.085 A 64 SER HA H 1 3.886 0.693 A 64 SER HBx H 1 3.089 0.015 A 64 SER HBy H 1 3.089 0.015 A 64 SER CA C 13 51.633 0.010 A 64 SER CB C 13 62.981 0.087 A 64 SER N N 15 110.767 0.059 A 65 VAL H H 1 8.260 0.011 A 65 VAL HA H 1 4.579 0.016 A 65 VAL HB H 1 1.962 0.020 A 65 VAL HGx% H 1 0.464 0.020 A 65 VAL HGy% H 1 0.655 0.026 A 65 VAL CA C 13 55.252 0.042 A 65 VAL CB C 13 32.781 0.259 A 65 VAL N N 15 110.515 0.054 A 66 PHE H H 1 8.241 0.030 A 66 PHE HA H 1 5.728 0.188 A 66 PHE HBy H 1 2.807 0.018 A 66 PHE HBx H 1 2.758 0.025 A 66 PHE CA C 13 57.604 0.111 A 66 PHE CB C 13 38.374 0.030 A 66 PHE N N 15 115.655 0.059 A 67 VAL H H 1 9.144 0.027 A 67 VAL HA H 1 4.071 0.006 A 67 VAL HB H 1 1.103 0.033 A 67 VAL HGx% H 1 0.712 0.015 A 67 VAL HGy% H 1 0.584 0.024 A 67 VAL CA C 13 57.923 0.030 A 67 VAL CB C 13 29.866 0.019 A 67 VAL N N 15 121.936 0.047 A 68 VAL H H 1 8.633 0.015 A 68 VAL HA H 1 4.358 0.044 A 68 VAL HB H 1 1.936 0.066 A 68 VAL HGx% H 1 0.925 0.009 A 68 VAL HGy% H 1 0.828 0.007 A 68 VAL CA C 13 57.945 0.110 A 68 VAL CB C 13 28.834 0.053 A 68 VAL N N 15 128.008 0.058 A 69 PHE H H 1 8.825 0.019 A 69 PHE HA H 1 5.131 0.014 A 69 PHE HBy H 1 3.610 0.036 A 69 PHE HBx H 1 2.932 0.020 A 69 PHE CA C 13 58.493 0.010 A 69 PHE CB C 13 38.437 0.021 A 69 PHE N N 15 126.059 0.061 A 70 ASN H H 1 8.530 0.012 A 70 ASN HA H 1 4.601 0.013 A 70 ASN HBy H 1 2.967 0.003 A 70 ASN HBx H 1 2.643 0.012 A 70 ASN CA C 13 51.499 0.019 A 70 ASN CB C 13 37.117 0.031 A 70 ASN N N 15 116.074 0.046 A 71 SER H H 1 7.608 0.013 A 71 SER HA H 1 4.840 0.021 A 71 SER HBy H 1 4.289 0.137 A 71 SER HBx H 1 4.007 0.008 A 71 SER CA C 13 53.449 0.028 A 71 SER CB C 13 63.595 0.056 A 71 SER N N 15 108.047 0.053 A 72 SER H H 1 9.495 0.034 A 72 SER HA H 1 4.261 0.005 A 72 SER HBy H 1 3.990 0.030 A 72 SER HBx H 1 3.766 0.025 A 72 SER CA C 13 58.268 0.024 A 72 SER CB C 13 59.440 0.022 A 72 SER N N 15 120.588 0.082 A 73 GLU H H 1 9.034 0.033 A 73 GLU HA H 1 3.883 0.024 A 73 GLU HBy H 1 2.083 0.036 A 73 GLU HBx H 1 1.942 0.018 A 73 GLU HGy H 1 2.346 0.007 A 73 GLU HGx H 1 2.139 0.015 A 73 GLU CA C 13 57.567 0.033 A 73 GLU CB C 13 25.712 0.186 A 73 GLU N N 15 122.754 0.044 A 74 GLU H H 1 7.810 0.006 A 74 GLU HA H 1 3.979 0.019 A 74 GLU HBy H 1 2.141 0.007 A 74 GLU HBx H 1 1.901 0.019 A 74 GLU HGy H 1 2.365 0.012 A 74 GLU HGx H 1 2.157 0.016 A 74 GLU CA C 13 55.717 0.152 A 74 GLU CB C 13 27.761 0.079 A 74 GLU N N 15 118.951 0.090 A 75 ALA H H 1 7.459 0.015 A 75 ALA HA H 1 3.560 0.026 A 75 ALA HB% H 1 1.556 0.012 A 75 ALA CA C 13 52.121 0.105 A 75 ALA CB C 13 15.898 0.027 A 75 ALA N N 15 122.556 0.095 A 76 GLU H H 1 8.670 0.019 A 76 GLU HA H 1 4.350 0.093 A 76 GLU HBy H 1 2.101 0.033 A 76 GLU HBx H 1 2.040 0.008 A 76 GLU HGy H 1 2.657 0.050 A 76 GLU HGx H 1 2.477 0.010 A 76 GLU CA C 13 56.032 0.023 A 76 GLU CB C 13 26.563 0.081 A 76 GLU N N 15 116.535 0.064 A 77 ALA H H 1 7.831 0.026 A 77 ALA HA H 1 4.042 0.008 A 77 ALA HB% H 1 1.473 0.014 A 77 ALA CA C 13 51.907 0.063 A 77 ALA CB C 13 15.010 0.069 A 77 ALA N N 15 120.791 0.153 A 78 PHE H H 1 7.434 0.054 A 78 PHE HA H 1 3.955 0.018 A 78 PHE HBy H 1 2.945 0.016 A 78 PHE HBx H 1 2.736 0.013 A 78 PHE CA C 13 57.923 0.057 A 78 PHE CB C 13 36.397 0.157 A 78 PHE N N 15 119.057 0.036 A 79 GLN H H 1 8.305 0.026 A 79 GLN HA H 1 3.554 0.011 A 79 GLN HBy H 1 2.060 0.015 A 79 GLN HBx H 1 1.876 0.018 A 79 GLN HGx H 1 2.502 0.025 A 79 GLN HGy H 1 2.502 0.025 A 79 GLN CA C 13 55.932 0.015 A 79 GLN CB C 13 24.319 0.017 A 79 GLN N N 15 116.449 0.098 A 80 LYS H H 1 7.518 0.012 A 80 LYS HA H 1 3.919 0.012 A 80 LYS HBy H 1 1.838 0.015 A 80 LYS HBx H 1 1.745 0.013 A 80 LYS HGx H 1 1.538 0.009 A 80 LYS HGy H 1 1.538 0.009 A 80 LYS HDx H 1 1.684 0.003 A 80 LYS HDy H 1 1.684 0.003 A 80 LYS HEx H 1 2.995 0.014 A 80 LYS HEy H 1 2.995 0.014 A 80 LYS CA C 13 54.620 0.015 A 80 LYS CB C 13 30.091 0.023 A 80 LYS N N 15 113.582 0.059 A 81 ALA H H 1 6.992 0.027 A 81 ALA HA H 1 3.518 0.002 A 81 ALA HB% H 1 1.186 0.002 A 81 ALA CA C 13 46.791 0.000 A 81 ALA CB C 13 15.574 0.000 A 81 ALA N N 15 120.727 0.068 A 83 PRO HA H 1 4.808 0.004 A 83 PRO HBx H 1 2.303 0.015 A 83 PRO HGx H 1 1.966 0.012 A 83 PRO HDx H 1 3.871 0.003 A 83 PRO CA C 13 58.944 0.003 A 83 PRO CB C 13 30.091 0.000 A 83 PRO CG C 13 27.452 0.000 A 84 MET H H 1 8.047 0.027 A 84 MET HA H 1 4.850 0.010 A 84 MET HBy H 1 2.233 0.347 A 84 MET HBx H 1 1.736 0.022 A 84 MET HGy H 1 2.586 0.012 A 84 MET HGx H 1 2.410 0.004 A 84 MET HE% H 1 2.164 0.000 A 84 MET CA C 13 51.799 0.066 A 84 MET CB C 13 30.683 0.165 A 84 MET N N 15 113.962 0.054 A 85 TYR H H 1 9.033 0.023 A 85 TYR HA H 1 4.394 0.033 A 85 TYR HBy H 1 2.911 0.024 A 85 TYR HBx H 1 2.011 0.009 A 85 TYR HEx H 1 6.811 0.004 A 85 TYR HEy H 1 6.811 0.004 A 85 TYR CA C 13 53.611 0.005 A 85 TYR CB C 13 36.882 0.073 A 85 TYR N N 15 124.010 0.057 A 86 ASP H H 1 8.542 0.047 A 86 ASP HA H 1 4.011 0.012 A 86 ASP HBy H 1 2.562 0.028 A 86 ASP HBx H 1 2.465 0.020 A 86 ASP CA C 13 53.353 0.003 A 86 ASP CB C 13 35.865 0.004 A 86 ASP N N 15 129.401 0.090 A 87 ASP H H 1 8.602 0.057 A 87 ASP HA H 1 4.402 0.010 A 87 ASP HBy H 1 2.821 0.018 A 87 ASP HBx H 1 2.712 0.013 A 87 ASP CA C 13 52.056 0.044 A 87 ASP CB C 13 36.842 0.012 A 87 ASP N N 15 113.301 0.078 A 88 VAL H H 1 7.846 0.019 A 88 VAL HA H 1 4.180 0.009 A 88 VAL HB H 1 2.164 0.006 A 88 VAL HGx% H 1 0.968 0.024 A 88 VAL HGy% H 1 0.912 0.028 A 88 VAL CA C 13 58.329 0.084 A 88 VAL CB C 13 31.093 0.045 A 88 VAL N N 15 121.110 0.126 A 89 GLN H H 1 8.738 0.016 A 89 GLN HA H 1 4.049 0.012 A 89 GLN HBx H 1 1.989 0.006 A 89 GLN HBy H 1 1.989 0.006 A 89 GLN HGx H 1 2.278 0.012 A 89 GLN HGy H 1 2.278 0.012 A 89 GLN CA C 13 53.007 0.046 A 89 GLN CB C 13 25.903 0.034 A 89 GLN N N 15 127.267 0.055 A 90 LEU H H 1 7.578 0.026 A 90 LEU HA H 1 4.794 0.050 A 90 LEU HBy H 1 2.005 0.035 A 90 LEU HBx H 1 1.905 0.024 A 90 LEU HG H 1 1.864 0.002 A 90 LEU HDx% H 1 0.988 0.009 A 90 LEU HDy% H 1 0.669 0.013 A 90 LEU CA C 13 52.318 0.081 A 90 LEU CB C 13 39.360 0.049 A 90 LEU N N 15 128.061 0.061 A 91 THR H H 1 9.483 0.017 A 91 THR HA H 1 4.581 0.018 A 91 THR HB H 1 4.205 0.010 A 91 THR HG2% H 1 1.257 0.033 A 91 THR CA C 13 58.214 0.091 A 91 THR CB C 13 67.770 0.025 A 91 THR N N 15 115.883 0.047 A 92 ALA H H 1 8.760 0.019 A 92 ALA HA H 1 4.436 0.000 A 92 ALA HB1 H 1 1.467 0.021 A 92 ALA HB2 H 1 0.936 0.016 A 92 ALA HB3 H 1 0.758 0.015 A 92 ALA CA C 13 47.214 0.030 A 92 ALA CB C 13 21.094 0.016 A 92 ALA N N 15 123.608 0.052 A 93 GLU H H 1 9.285 0.038 A 93 GLU HA H 1 4.787 0.021 A 93 GLU HBy H 1 2.337 0.024 A 93 GLU HBx H 1 2.292 0.020 A 93 GLU HGx H 1 2.461 0.004 A 93 GLU HGy H 1 2.461 0.004 A 93 GLU CA C 13 51.691 0.050 A 93 GLU CB C 13 32.467 0.044 A 93 GLU N N 15 122.636 0.070 A 94 MET H H 1 9.579 0.021 A 94 MET HA H 1 4.899 0.068 A 94 MET HBy H 1 2.126 0.027 A 94 MET HBx H 1 1.962 0.022 A 94 MET HGy H 1 3.112 0.012 A 94 MET HGx H 1 3.072 0.010 A 94 MET HE1 H 1 2.119 0.000 A 94 MET HE2 H 1 2.503 0.006 A 94 MET HE3 H 1 2.119 0.000 A 94 MET CA C 13 51.642 0.012 A 94 MET CB C 13 30.564 0.028 A 94 MET N N 15 124.333 0.082 A 95 LYS H H 1 8.996 0.012 A 95 LYS HA H 1 4.027 0.020 A 95 LYS HBy H 1 1.501 0.023 A 95 LYS HBx H 1 1.477 0.016 A 95 LYS HGx H 1 1.200 0.008 A 95 LYS HGy H 1 1.200 0.008 A 95 LYS HDx H 1 1.556 0.003 A 95 LYS HDy H 1 1.556 0.003 A 95 LYS HEx H 1 3.119 0.007 A 95 LYS HEy H 1 3.119 0.007 A 95 LYS CA C 13 57.979 0.015 A 95 LYS CB C 13 29.857 0.100 A 95 LYS N N 15 124.264 0.086 A 96 THR H H 1 9.131 0.022 A 96 THR HA H 1 4.085 0.002 A 96 THR HB H 1 3.875 0.016 A 96 THR HG2% H 1 1.146 0.016 A 96 THR CA C 13 63.030 0.013 A 96 THR CB C 13 64.727 0.004 A 96 THR N N 15 110.387 0.100 A 97 THR H H 1 6.904 0.064 A 97 THR HA H 1 4.418 0.020 A 97 THR HB H 1 4.012 0.001 A 97 THR HG2% H 1 1.391 0.011 A 97 THR CA C 13 62.628 0.072 A 97 THR CB C 13 65.219 0.374 A 97 THR N N 15 118.645 0.043 A 98 TYR H H 1 8.380 0.016 A 98 TYR HA H 1 4.060 0.005 A 98 TYR HBy H 1 3.128 0.022 A 98 TYR HBx H 1 2.780 0.023 A 98 TYR CA C 13 58.284 0.070 A 98 TYR CB C 13 34.781 0.068 A 98 TYR N N 15 124.790 0.069 A 99 LEU H H 1 8.498 0.016 A 99 LEU HA H 1 3.907 0.464 A 99 LEU HBx H 1 1.910 0.035 A 99 LEU HG H 1 1.683 0.002 A 99 LEU HDx% H 1 0.889 0.013 A 99 LEU HDy% H 1 0.762 0.015 A 99 LEU CA C 13 54.574 0.108 A 99 LEU CB C 13 38.259 0.041 A 99 LEU N N 15 118.091 0.062 A 100 GLU H H 1 7.826 0.021 A 100 GLU HA H 1 3.984 0.004 A 100 GLU HBy H 1 2.185 0.038 A 100 GLU HBx H 1 2.037 0.017 A 100 GLU HGy H 1 2.484 0.016 A 100 GLU HGx H 1 2.358 0.022 A 100 GLU CA C 13 56.147 0.051 A 100 GLU CB C 13 26.315 0.034 A 100 GLU N N 15 120.138 0.164 A 101 ARG H H 1 8.117 0.021 A 101 ARG HA H 1 4.127 0.003 A 101 ARG HBy H 1 1.777 0.028 A 101 ARG HBx H 1 1.744 0.027 A 101 ARG HGy H 1 1.664 0.003 A 101 ARG HGx H 1 1.550 0.002 A 101 ARG HDx H 1 3.228 0.061 A 101 ARG HDy H 1 3.228 0.061 A 101 ARG CA C 13 56.052 0.010 A 101 ARG CB C 13 26.222 0.012 A 101 ARG N N 15 121.335 0.065 A 102 LYS H H 1 8.081 0.022 A 102 LYS HA H 1 3.884 0.015 A 102 LYS HBy H 1 1.578 0.016 A 102 LYS HBx H 1 1.516 0.012 A 102 LYS HGy H 1 0.939 0.011 A 102 LYS HGx H 1 0.884 0.004 A 102 LYS HDx H 1 1.409 0.002 A 102 LYS HDy H 1 1.409 0.002 A 102 LYS HEx H 1 2.935 0.008 A 102 LYS HEy H 1 2.935 0.008 A 102 LYS CA C 13 53.780 0.042 A 102 LYS CB C 13 26.755 0.047 A 102 LYS N N 15 119.320 0.073 A 103 ALA H H 1 7.689 0.019 A 103 ALA HA H 1 4.099 0.015 A 103 ALA HB% H 1 1.468 0.012 A 103 ALA CA C 13 51.470 0.097 A 103 ALA CB C 13 14.898 0.031 A 103 ALA N N 15 121.103 0.075 A 104 GLU H H 1 7.814 0.003 A 104 GLU HA H 1 4.101 0.004 A 104 GLU HBy H 1 2.127 0.013 A 104 GLU HBx H 1 2.003 0.004 A 104 GLU HGy H 1 2.406 0.010 A 104 GLU HGx H 1 2.267 0.012 A 104 GLU CA C 13 55.331 0.049 A 104 GLU CB C 13 26.544 0.103 A 104 GLU N N 15 119.205 0.057 A 105 GLU H H 1 7.981 0.025 A 105 GLU HA H 1 4.064 0.000 A 105 GLU HBy H 1 2.110 0.019 A 105 GLU HBx H 1 1.993 0.025 A 105 GLU HGy H 1 2.471 0.020 A 105 GLU HGx H 1 2.192 0.012 A 105 GLU CA C 13 55.333 0.026 A 105 GLU CB C 13 26.644 0.083 A 105 GLU N N 15 120.222 0.060 A 106 ILE H H 1 7.793 0.006 A 106 ILE HA H 1 3.971 0.017 A 106 ILE HB H 1 1.918 0.013 A 106 ILE HG1y H 1 1.584 0.003 A 106 ILE HG1x H 1 1.252 0.008 A 106 ILE HG2% H 1 0.926 0.007 A 106 ILE HD1% H 1 0.857 0.000 A 106 ILE CA C 13 59.731 0.028 A 106 ILE CB C 13 35.159 0.000 A 106 ILE N N 15 118.930 0.094 A 107 ALA H H 1 7.816 0.003 A 107 ALA HA H 1 4.213 0.011 A 107 ALA HB% H 1 1.450 0.010 A 107 ALA CA C 13 50.311 0.024 A 107 ALA CB C 13 15.709 0.057 A 107 ALA N N 15 124.444 0.064 A 108 ALA H H 1 7.811 0.034 A 108 ALA HA H 1 4.267 0.004 A 108 ALA HB1 H 1 1.539 0.143 A 108 ALA HB2 H 1 1.436 0.000 A 108 ALA HB3 H 1 1.322 0.000 A 108 ALA CA C 13 49.694 0.096 A 108 ALA CB C 13 15.928 0.054 A 108 ALA N N 15 120.903 0.084 A 109 LYS H H 1 7.844 0.003 A 109 LYS HA H 1 4.291 0.007 A 109 LYS HBy H 1 1.866 0.063 A 109 LYS HBx H 1 1.823 0.028 A 109 LYS HGx H 1 1.482 0.021 A 109 LYS HGy H 1 1.482 0.021 A 109 LYS HDx H 1 1.695 0.000 A 109 LYS HDy H 1 1.695 0.000 A 109 LYS HEx H 1 3.017 0.014 A 109 LYS HEy H 1 3.017 0.014 A 109 LYS CA C 13 53.407 0.057 A 109 LYS CB C 13 29.638 0.043 A 109 LYS N N 15 120.228 0.057 A 110 LYS H H 1 7.845 0.003 A 110 LYS HBy H 1 1.940 0.026 A 110 LYS HBx H 1 1.912 0.022 A 110 LYS HGx H 1 1.456 0.011 A 110 LYS HGy H 1 1.456 0.011 A 110 LYS HDx H 1 1.695 0.002 A 110 LYS HDy H 1 1.695 0.002 A 110 LYS HEx H 1 3.052 0.006 A 110 LYS HEy H 1 3.052 0.006 A 110 LYS CA C 13 54.742 0.000 A 110 LYS CB C 13 30.372 0.000 A 110 LYS N N 15 127.920 0.065 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 12 THR HA A 13 ASP H 1.0 . 3.2 2 2 A 12 THR HB A 13 ASP H 1.0 . 4.0 3 3 A 12 THR HG2% A 13 ASP H 1.0 . 4.8 4 4 A 13 ASP H A 13 ASP HA 1.0 . 3.8 5 5 A 13 ASP H A 13 ASP HBy 1.0 . 4.6 6 6 A 13 ASP H A 13 ASP HBx 1.0 . 4.2 7 7 A 13 ASP H A 14 HIS H 1.0 . 5.2 8 8 A 13 ASP HA A 14 HIS H 1.0 . 3.2 9 9 A 13 ASP HBy A 14 HIS H 1.0 . 4.2 10 10 A 14 HIS H A 14 HIS HA 1.0 . 3.8 11 11 A 14 HIS H A 14 HIS HBy 1.0 . 4.6 12 12 A 14 HIS H A 14 HIS HBx 1.0 . 4.2 13 13 A 14 HIS H A 15 GLN H 1.0 . 5.2 14 14 A 12 THR HB A 14 HIS HBx 1.0 . 5.8 15 15 A 14 HIS HA A 15 GLN H 1.0 . 3.2 16 16 A 14 HIS HBy A 15 GLN H 1.0 . 4.3 17 17 A 15 GLN H A 15 GLN HA 1.0 . 3.8 18 18 A 15 GLN H A 15 GLN HBx 1.0 . 4.1 19 19 A 15 GLN H A 15 GLN HGx 1.0 . 3.2 20 20 A 13 ASP HBy A 15 GLN HBx 1.0 . 5.8 21 21 A 15 GLN HGy A 69 PHE HBy 1.0 . 4.7 22 22 A 15 GLN HA A 95 LYS HDy 1.0 . 4.8 23 23 A 15 GLN HA A 16 THR H 1.0 . 3.3 24 24 A 16 THR H A 15 GLN HBy 1.0 . 4.1 25 25 A 15 GLN HGy A 16 THR H 1.0 . 5.2 26 26 A 15 GLN H A 16 THR H 1.0 . 5.4 27 27 A 16 THR H A 16 THR HA 1.0 . 3.8 28 28 A 16 THR H A 16 THR HB 1.0 . 3.8 29 29 A 16 THR H A 16 THR HG2% 1.0 . 5.5 30 30 A 16 THR H A 17 VAL H 1.0 . 5.2 31 31 A 95 LYS HDy A 16 THR H 1.0 . 4.0 32 32 A 16 THR HA A 68 VAL HA 1.0 . 4.1 33 33 A 66 PHE HBx A 16 THR HG2% 1.0 . 3.8 34 34 A 14 HIS HBy A 16 THR HG1 1.0 . 5.2 35 35 A 16 THR HA A 17 VAL H 1.0 . 3.2 36 36 A 16 THR HB A 17 VAL H 1.0 . 5.0 37 37 A 17 VAL H A 16 THR HG2% 1.0 . 3.5 38 38 A 17 VAL H A 17 VAL HA 1.0 . 3.8 39 39 A 17 VAL H A 17 VAL HB 1.0 . 3.7 40 40 A 17 VAL H A 17 VAL HGy% 1.0 . 3.8 41 41 A 17 VAL H A 18 TYR H 1.0 . 5.4 42 42 A 17 VAL H A 67 VAL H 1.0 . 3.6 43 43 A 17 VAL H A 67 VAL HGy% 1.0 . 4.8 44 44 A 17 VAL H A 68 VAL HA 1.0 . 4.6 45 45 A 17 VAL H A 68 VAL HGy% 1.0 . 5.3 46 46 A 15 GLN HBy A 17 VAL HGy% 1.0 . 5.6 47 47 A 17 VAL HB A 67 VAL HGy% 1.0 . 3.4 48 48 A 17 VAL HA A 18 TYR H 1.0 . 3.3 49 49 A 17 VAL HB A 18 TYR H 1.0 . 4.6 50 50 A 18 TYR H A 17 VAL HGx% 1.0 . 3.2 51 51 A 17 VAL HGy% A 18 TYR H 1.0 . 5.4 52 52 A 18 TYR H A 18 TYR HA 1.0 . 3.8 53 53 A 18 TYR H A 18 TYR HBy 1.0 . 3.6 54 54 A 18 TYR H A 93 GLU H 1.0 . 4.5 55 55 A 18 TYR H A 93 GLU HBy 1.0 . 4.5 56 56 A 18 TYR H A 94 MET HA 1.0 . 4.6 57 57 A 18 TYR HA A 66 PHE HA 1.0 . 3.8 58 58 A 18 TYR HA A 66 PHE HDy 1.0 . 3.8 59 59 A 18 TYR HDx A 66 PHE HEy 1.0 . 2.8 60 60 A 18 TYR HBy A 93 GLU HBy 1.0 . 3.5 61 61 A 18 TYR HA A 19 VAL H 1.0 . 3.2 62 62 A 19 VAL H A 18 TYR HBx 1.0 . 4.2 63 63 A 18 TYR H A 19 VAL H 1.0 . 5.4 64 64 A 19 VAL H A 19 VAL HA 1.0 . 3.8 65 65 A 19 VAL H A 19 VAL HB 1.0 . 3.7 66 66 A 19 VAL H A 19 VAL HGx% 1.0 . 5.4 67 67 A 19 VAL H A 19 VAL HGy% 1.0 . 4.3 68 68 A 19 VAL H A 64 SER HBy 1.0 . 5.6 69 69 A 19 VAL H A 65 VAL HB 1.0 . 5.0 70 70 A 19 VAL H A 65 VAL HGy% 1.0 . 3.3 71 71 A 19 VAL H A 65 VAL H 1.0 . 3.8 72 72 A 66 PHE HA A 19 VAL H 1.0 . 3.8 73 73 A 17 VAL HB A 19 VAL HGy% 1.0 . 5.0 74 74 A 19 VAL HGy% A 17 VAL HGx% 1.0 . 3.8 75 75 A 19 VAL HB A 65 VAL HGy% 1.0 . 3.2 76 76 A 19 VAL HA A 92 ALA HA 1.0 . 3.2 77 77 A 19 VAL HA A 92 ALA HB1 1.0 . 3.6 78 78 A 19 VAL HA A 20 LYS H 1.0 . 3.2 79 79 A 19 VAL HB A 20 LYS H 1.0 . 4.8 80 80 A 20 LYS H A 19 VAL HGx% 1.0 . 3.8 81 81 A 19 VAL HGy% A 20 LYS H 1.0 . 5.3 82 82 A 19 VAL H A 20 LYS H 1.0 . 5.4 83 83 A 20 LYS H A 20 LYS HA 1.0 . 3.8 84 84 A 20 LYS H A 20 LYS HBx 1.0 . 4.4 85 85 A 20 LYS H A 20 LYS HBy 1.0 . 3.6 86 86 A 20 LYS H A 20 LYS HGx 1.0 . 3.2 87 87 A 20 LYS H A 20 LYS HEx 1.0 . 5.8 88 88 A 20 LYS H A 20 LYS HDx 1.0 . 5.3 89 89 A 20 LYS H A 91 THR H 1.0 . 4.6 90 90 A 20 LYS H A 91 THR HB 1.0 . 3.8 91 91 A 92 ALA HA A 20 LYS H 1.0 . 4.5 92 92 A 20 LYS H A 92 ALA H 1.0 . 6.0 93 93 A 64 SER HBy A 20 LYS HA 1.0 . 5.2 94 94 A 20 LYS HBy A 91 THR HB 1.0 . 2.8 95 95 A 20 LYS HGx A 91 THR HB 1.0 . 3.2 96 96 A 20 LYS HGy A 90 LEU HDx% 1.0 . 3.8 97 97 A 22 VAL H A 21 PRO HA 1.0 . 3.5 98 98 A 22 VAL H A 21 PRO HBy 1.0 . 3.5 99 99 A 22 VAL H A 21 PRO HGx 1.0 . 5.2 100 100 A 22 VAL H A 22 VAL HA 1.0 . 3.8 101 101 A 22 VAL H A 22 VAL HB 1.0 . 4.6 102 102 A 22 VAL H A 22 VAL HGy% 1.0 . 3.3 103 103 A 22 VAL H A 22 VAL HGx% 1.0 . 4.3 104 104 A 25 THR H A 23 PRO HA 1.0 . 5.1 105 105 A 25 THR H A 23 PRO HBx 1.0 . 3.2 106 106 A 25 THR H A 23 PRO HGx 1.0 . 4.3 107 107 A 25 THR H A 24 PRO HA 1.0 . 4.4 108 108 A 25 THR H A 24 PRO HBy 1.0 . 4.6 109 109 A 25 THR H A 24 PRO HGy 1.0 . 3.8 110 110 A 25 THR H A 24 PRO HDx 1.0 . 3.7 111 111 A 25 THR H A 25 THR HA 1.0 . 3.9 112 112 A 25 THR H A 25 THR HB 1.0 . 4.0 113 113 A 25 THR H A 25 THR HG2% 1.0 . 5.1 114 114 A 25 THR H A 26 ALA H 1.0 . 3.4 115 115 A 25 THR HA A 27 THR HG2% 1.0 . 5.3 116 116 A 23 PRO HBx A 26 ALA H 1.0 . 4.1 117 117 A 23 PRO HGx A 26 ALA H 1.0 . 3.2 118 118 A 24 PRO HDx A 26 ALA H 1.0 . 4.8 119 119 A 25 THR HA A 26 ALA H 1.0 . 4.6 120 120 A 25 THR HB A 26 ALA H 1.0 . 3.6 121 121 A 25 THR HG2% A 26 ALA H 1.0 . 5.5 122 122 A 26 ALA H A 26 ALA HA 1.0 . 3.8 123 123 A 26 ALA H A 26 ALA HB1 1.0 . 3.5 124 124 A 26 ALA H A 26 ALA HB1 1.0 . 3.6 125 125 A 26 ALA HA A 30 GLN HBx 1.0 . 3.9 126 126 A 22 VAL HB A 26 ALA HB1 1.0 . 3.3 127 127 A 25 THR HB A 27 THR H 1.0 . 6.2 128 128 A 26 ALA HA A 27 THR H 1.0 . 3.1 129 129 A 27 THR H A 26 ALA HB1 1.0 . 4.6 130 130 A 26 ALA H A 27 THR H 1.0 . 5.4 131 131 A 27 THR H A 27 THR HA 1.0 . 3.9 132 132 A 27 THR H A 27 THR HB 1.0 . 4.6 133 133 A 27 THR HG2% A 27 THR H 1.0 . 3.8 134 134 A 27 THR H A 28 LEU H 1.0 . 5.5 135 135 A 27 THR HA A 28 LEU H 1.0 . 4.0 136 136 A 27 THR HB A 28 LEU H 1.0 . 3.6 137 137 A 27 THR HG2% A 28 LEU H 1.0 . 4.6 138 138 A 28 LEU H A 28 LEU HA 1.0 . 3.8 139 139 A 28 LEU H A 28 LEU HBx 1.0 . 3.2 140 140 A 28 LEU H A 28 LEU HBy 1.0 . 3.8 141 141 A 28 LEU H A 28 LEU HG 1.0 . 5.2 142 142 A 28 LEU H A 28 LEU HDx% 1.0 . 5.1 143 143 A 28 LEU H A 29 GLU H 1.0 . 3.7 144 144 A 28 LEU H A 31 LEU H 1.0 . 5.6 145 145 A 28 LEU HA A 31 LEU HBx 1.0 . 4.1 146 146 A 27 THR HA A 29 GLU H 1.0 . 5.5 147 147 A 27 THR HB A 29 GLU H 1.0 . 3.8 148 148 A 27 THR H A 29 GLU H 1.0 . 5.8 149 149 A 28 LEU HA A 29 GLU H 1.0 . 4.5 150 150 A 28 LEU HBy A 29 GLU H 1.0 . 3.6 151 151 A 29 GLU H A 28 LEU HDy% 1.0 . 4.8 152 152 A 29 GLU H A 29 GLU HA 1.0 . 3.8 153 153 A 29 GLU H A 29 GLU HBy 1.0 . 3.4 154 154 A 29 GLU H A 29 GLU HBx 1.0 . 3.6 155 155 A 29 GLU H A 29 GLU HGx 1.0 . 5.4 156 156 A 29 GLU H A 30 GLN H 1.0 . 3.6 157 157 A 29 GLU H A 31 LEU H 1.0 . 5.2 158 158 A 29 GLU HA A 32 THR HB 1.0 . 4.2 159 159 A 27 THR HB A 30 GLN H 1.0 . 4.7 160 160 A 27 THR H A 30 GLN H 1.0 . 4.5 161 161 A 28 LEU HA A 30 GLN H 1.0 . 5.5 162 162 A 28 LEU H A 30 GLN H 1.0 . 5.0 163 163 A 29 GLU HA A 30 GLN H 1.0 . 4.5 164 164 A 29 GLU HBx A 30 GLN H 1.0 . 3.6 165 165 A 30 GLN H A 29 GLU HGy 1.0 . 5.1 166 166 A 30 GLN H A 30 GLN HA 1.0 . 3.8 167 167 A 30 GLN H A 30 GLN HBy 1.0 . 3.4 168 168 A 30 GLN HBx A 30 GLN H 1.0 . 3.7 169 169 A 30 GLN H A 30 GLN HGx 1.0 . 5.4 170 170 A 31 LEU H A 30 GLN H 1.0 . 3.6 171 171 A 30 GLN H A 32 THR H 1.0 . 5.4 172 172 A 30 GLN HA A 33 GLU HBx 1.0 . 3.8 173 173 A 26 ALA HB1 A 31 LEU H 1.0 . 5.0 174 174 A 27 THR HA A 31 LEU H 1.0 . 5.8 175 175 A 27 THR HB A 31 LEU H 1.0 . 6.2 176 176 A 28 LEU HA A 31 LEU H 1.0 . 4.6 177 177 A 31 LEU H A 29 GLU HA 1.0 . 5.6 178 178 A 31 LEU H A 30 GLN HA 1.0 . 4.5 179 179 A 30 GLN HBx A 31 LEU H 1.0 . 3.5 180 180 A 31 LEU H A 30 GLN HGy 1.0 . 5.1 181 181 A 31 LEU H A 30 GLN H 1.0 . 3.8 182 182 A 31 LEU H A 31 LEU HA 1.0 . 3.8 183 183 A 31 LEU H A 31 LEU HBx 1.0 . 3.1 184 184 A 31 LEU H A 31 LEU HG 1.0 . 4.8 185 185 A 31 LEU H A 31 LEU HDx% 1.0 . 5.8 186 186 A 31 LEU H A 31 LEU HDy% 1.0 . 5.6 187 187 A 31 LEU H A 32 THR H 1.0 . 3.8 188 188 A 31 LEU H A 33 GLU H 1.0 . 5.3 189 189 A 22 VAL HB A 31 LEU HG 1.0 . 4.4 190 190 A 22 VAL HGy% A 31 LEU HDx% 1.0 . 3.5 191 191 A 26 ALA HB1 A 31 LEU HA 1.0 . 5.0 192 192 A 31 LEU HA A 34 PHE HBy 1.0 . 3.9 193 193 A 28 LEU HA A 32 THR H 1.0 . 4.8 194 194 A 28 LEU HG A 32 THR H 1.0 . 5.6 195 195 A 29 GLU HA A 32 THR H 1.0 . 4.8 196 196 A 29 GLU H A 32 THR H 1.0 . 5.8 197 197 A 30 GLN HA A 32 THR H 1.0 . 5.8 198 198 A 32 THR H A 31 LEU HA 1.0 . 4.5 199 199 A 32 THR H A 31 LEU HBy 1.0 . 3.4 200 200 A 32 THR H A 31 LEU HDx% 1.0 . 5.6 201 201 A 32 THR H A 31 LEU HDy% 1.0 . 5.4 202 202 A 32 THR H A 32 THR HA 1.0 . 3.8 203 203 A 32 THR HB A 32 THR H 1.0 . 3.7 204 204 A 32 THR H A 32 THR HG2% 1.0 . 5.4 205 205 A 32 THR H A 35 PHE H 1.0 . 5.8 206 206 A 28 LEU HDy% A 32 THR HG1 1.0 . 3.3 207 207 A 29 GLU HA A 33 GLU H 1.0 . 4.8 208 208 A 29 GLU HGx A 33 GLU H 1.0 . 5.5 209 209 A 30 GLN HA A 33 GLU H 1.0 . 4.8 210 210 A 30 GLN H A 33 GLU H 1.0 . 5.6 211 211 A 31 LEU HA A 33 GLU H 1.0 . 5.8 212 212 A 33 GLU H A 32 THR HA 1.0 . 4.5 213 213 A 32 THR HB A 33 GLU H 1.0 . 3.3 214 214 A 33 GLU H A 32 THR HG2% 1.0 . 4.6 215 215 A 32 THR H A 33 GLU H 1.0 . 3.8 216 216 A 33 GLU H A 33 GLU HA 1.0 . 3.7 217 217 A 33 GLU H A 33 GLU HBy 1.0 . 3.6 218 218 A 33 GLU HBx A 33 GLU H 1.0 . 3.4 219 219 A 33 GLU H A 33 GLU HGx 1.0 . 5.5 220 220 A 33 GLU H A 34 PHE H 1.0 . 3.8 221 221 A 33 GLU H A 36 SER H 1.0 . 6.0 222 222 A 29 GLU HGy A 33 GLU HBy 1.0 . 4.8 223 223 A 33 GLU HA A 36 SER HBx 1.0 . 4.2 224 224 A 30 GLN HA A 34 PHE H 1.0 . 4.8 225 225 A 30 GLN HGx A 34 PHE H 1.0 . 5.7 226 226 A 31 LEU HA A 34 PHE H 1.0 . 4.8 227 227 A 31 LEU H A 34 PHE H 1.0 . 5.8 228 228 A 32 THR HA A 34 PHE H 1.0 . 5.8 229 229 A 32 THR H A 34 PHE H 1.0 . 5.5 230 230 A 33 GLU HA A 34 PHE H 1.0 . 4.5 231 231 A 33 GLU HBx A 34 PHE H 1.0 . 3.4 232 232 A 34 PHE H A 33 GLU HGy 1.0 . 4.2 233 233 A 34 PHE H A 34 PHE HA 1.0 . 3.8 234 234 A 34 PHE HBy A 34 PHE H 1.0 . 3.2 235 235 A 35 PHE H A 34 PHE H 1.0 . 3.8 236 236 A 34 PHE H A 37 LYS H 1.0 . 5.6 237 237 A 34 PHE HA A 37 LYS HBy 1.0 . 3.4 238 238 A 34 PHE HBx A 85 TYR HEx 1.0 . 4.5 239 239 A 31 LEU HA A 35 PHE H 1.0 . 5.2 240 240 A 31 LEU HDy% A 35 PHE H 1.0 . 5.2 241 241 A 32 THR HA A 35 PHE H 1.0 . 4.6 242 242 A 35 PHE H A 33 GLU HA 1.0 . 5.5 243 243 A 33 GLU H A 35 PHE H 1.0 . 5.2 244 244 A 35 PHE H A 34 PHE HA 1.0 . 4.5 245 245 A 34 PHE HBy A 35 PHE H 1.0 . 3.8 246 246 A 35 PHE H A 35 PHE HA 1.0 . 3.8 247 247 A 35 PHE H A 35 PHE HBy 1.0 . 3.1 248 248 A 35 PHE H A 35 PHE HBx 1.0 . 4.2 249 249 A 35 PHE H A 36 SER H 1.0 . 3.8 250 250 A 35 PHE H A 37 LYS H 1.0 . 5.0 251 251 A 35 PHE HBx A 41 VAL HGy% 1.0 . 5.2 252 252 A 35 PHE HEx A 67 VAL HB 1.0 . 5.2 253 253 A 32 THR HA A 36 SER H 1.0 . 5.0 254 254 A 32 THR HG2% A 36 SER H 1.0 . 5.1 255 255 A 33 GLU HA A 36 SER H 1.0 . 4.8 256 256 A 33 GLU H A 36 SER H 1.0 . 5.8 257 257 A 36 SER H A 34 PHE HA 1.0 . 5.8 258 258 A 34 PHE H A 36 SER H 1.0 . 5.6 259 259 A 36 SER H A 35 PHE HA 1.0 . 4.5 260 260 A 36 SER H A 35 PHE HBy 1.0 . 3.9 261 261 A 36 SER H A 35 PHE HBx 1.0 . 3.4 262 262 A 36 SER H A 36 SER HA 1.0 . 3.8 263 263 A 36 SER H A 36 SER HBx 1.0 . 3.2 264 264 A 36 SER H A 37 LYS H 1.0 . 3.8 265 265 A 36 SER H A 38 HIS H 1.0 . 5.2 266 266 A 36 SER HA A 40 THR HA 1.0 . 4.8 267 267 A 33 GLU HA A 37 LYS H 1.0 . 5.0 268 268 A 34 PHE HA A 37 LYS H 1.0 . 4.8 269 269 A 37 LYS H A 35 PHE HA 1.0 . 5.2 270 270 A 37 LYS H A 36 SER HA 1.0 . 4.5 271 271 A 36 SER HBx A 37 LYS H 1.0 . 4.0 272 272 A 37 LYS H A 36 SER HBy 1.0 . 4.2 273 273 A 37 LYS H A 37 LYS HA 1.0 . 3.8 274 274 A 37 LYS H A 37 LYS HBx 1.0 . 3.6 275 275 A 37 LYS H A 37 LYS HBy 1.0 . 3.5 276 276 A 37 LYS H A 37 LYS HDx 1.0 . 5.6 277 277 A 37 LYS H A 37 LYS HEx 1.0 . 5.6 278 278 A 37 LYS H A 38 HIS H 1.0 . 3.8 279 279 A 37 LYS HDx A 85 TYR HEy 1.0 . 4.8 280 280 A 34 PHE HA A 38 HIS H 1.0 . 5.2 281 281 A 35 PHE HA A 38 HIS H 1.0 . 4.5 282 282 A 35 PHE H A 38 HIS H 1.0 . 5.6 283 283 A 36 SER HA A 38 HIS H 1.0 . 5.0 284 284 A 38 HIS H A 37 LYS HA 1.0 . 4.4 285 285 A 37 LYS HBy A 38 HIS H 1.0 . 3.9 286 286 A 38 HIS H A 37 LYS HGx 1.0 . 5.0 287 287 A 38 HIS H A 37 LYS HDx 1.0 . 4.8 288 288 A 38 HIS H A 38 HIS HA 1.0 . 3.8 289 289 A 38 HIS H A 38 HIS HBy 1.0 . 4.3 290 290 A 38 HIS H A 38 HIS HBx 1.0 . 3.8 291 291 A 38 HIS H A 39 GLY H 1.0 . 4.8 292 292 A 34 PHE HBx A 38 HIS HBx 1.0 . 5.8 293 293 A 85 TYR HEx A 38 HIS HBx 1.0 . 3.6 294 294 A 36 SER HA A 39 GLY H 1.0 . 5.8 295 295 A 37 LYS HA A 39 GLY H 1.0 . 6.4 296 296 A 38 HIS HA A 39 GLY H 1.0 . 3.2 297 297 A 38 HIS HBy A 39 GLY H 1.0 . 5.2 298 298 A 39 GLY H A 39 GLY HAx 1.0 . 3.4 299 299 A 39 GLY H A 39 GLY HAy 1.0 . 3.8 300 300 A 39 GLY HAx A 78 PHE HEy 1.0 . 3.4 301 301 A 39 GLY HAx A 40 THR H 1.0 . 3.2 302 302 A 39 GLY HAy A 40 THR H 1.0 . 4.0 303 303 A 39 GLY H A 40 THR H 1.0 . 4.8 304 304 A 40 THR HA A 40 THR H 1.0 . 3.8 305 305 A 40 THR H A 40 THR HB 1.0 . 3.6 306 306 A 40 THR H A 40 THR HG2% 1.0 . 5.4 307 307 A 40 THR H A 74 GLU HGy 1.0 . 5.2 308 308 A 35 PHE HBx A 41 VAL H 1.0 . 6.0 309 309 A 40 THR HA A 41 VAL H 1.0 . 3.1 310 310 A 40 THR HB A 41 VAL H 1.0 . 5.2 311 311 A 40 THR HG2% A 41 VAL H 1.0 . 4.2 312 312 A 40 THR H A 41 VAL H 1.0 . 5.2 313 313 A 41 VAL H A 41 VAL HA 1.0 . 3.8 314 314 A 41 VAL H A 41 VAL HB 1.0 . 4.5 315 315 A 41 VAL H A 41 VAL HGx% 1.0 . 4.0 316 316 A 41 VAL H A 41 VAL HGy% 1.0 . 3.0 317 317 A 41 VAL HA A 69 PHE HA 1.0 . 3.2 318 318 A 41 VAL HA A 42 GLN H 1.0 . 3.2 319 319 A 41 VAL HB A 42 GLN H 1.0 . 3.8 320 320 A 42 GLN H A 41 VAL HGx% 1.0 . 4.8 321 321 A 42 GLN H A 41 VAL HGy% 1.0 . 5.0 322 322 A 41 VAL H A 42 GLN H 1.0 . 5.4 323 323 A 42 GLN H A 42 GLN HA 1.0 . 3.8 324 324 A 42 GLN H A 42 GLN HBy 1.0 . 3.3 325 325 A 42 GLN H A 42 GLN HBx 1.0 . 3.8 326 326 A 42 GLN H A 42 GLN HGy 1.0 . 5.0 327 327 A 42 GLN H A 43 ALA H 1.0 . 3.8 328 328 A 42 GLN H A 68 VAL H 1.0 . 5.4 329 329 A 42 GLN H A 69 PHE H 1.0 . 5.3 330 330 A 42 GLN H A 70 ASN H 1.0 . 3.6 331 331 A 69 PHE HA A 42 GLN H 1.0 . 3.0 332 332 A 42 GLN HBx A 68 VAL HB 1.0 . 3.8 333 333 A 42 GLN HBx A 68 VAL HGx% 1.0 . 4.0 334 334 A 42 GLN HA A 70 ASN HBy 1.0 . 3.4 335 335 A 42 GLN HBy A 70 ASN HBy 1.0 . 3.0 336 336 A 40 THR HG2% A 42 GLN HA 1.0 . 5.6 337 337 A 41 VAL HA A 43 ALA H 1.0 . 5.6 338 338 A 41 VAL HB A 43 ALA H 1.0 . 4.4 339 339 A 41 VAL HGy% A 43 ALA H 1.0 . 5.2 340 340 A 42 GLN HA A 43 ALA H 1.0 . 4.5 341 341 A 42 GLN HBx A 43 ALA H 1.0 . 3.2 342 342 A 43 ALA H A 42 GLN HGx 1.0 . 5.5 343 343 A 43 ALA H A 43 ALA HA 1.0 . 3.8 344 344 A 43 ALA H A 43 ALA HB1 1.0 . 3.8 345 345 A 43 ALA H A 44 VAL H 1.0 . 5.4 346 346 A 43 ALA H A 68 VAL H 1.0 . 4.1 347 347 A 43 ALA H A 68 VAL HB 1.0 . 4.1 348 348 A 68 VAL HB A 43 ALA HB1 1.0 . 3.8 349 349 A 43 ALA HA A 44 VAL H 1.0 . 3.4 350 350 A 43 ALA HB1 A 44 VAL H 1.0 . 3.8 351 351 A 44 VAL H A 44 VAL HA 1.0 . 3.8 352 352 A 44 VAL H A 44 VAL HB 1.0 . 4.2 353 353 A 44 VAL H A 44 VAL HGx% 1.0 . 3.5 354 354 A 44 VAL H A 44 VAL HGy% 1.0 . 5.4 355 355 A 44 VAL H A 45 TRP H 1.0 . 5.3 356 356 A 44 VAL HA A 67 VAL HA 1.0 . 3.1 357 357 A 44 VAL HB A 67 VAL HGx% 1.0 . 3.0 358 358 A 44 VAL HGy% A 67 VAL HGx% 1.0 . 3.6 359 359 A 41 VAL HGy% A 44 VAL HB 1.0 . 4.8 360 360 A 44 VAL HA A 45 TRP H 1.0 . 3.2 361 361 A 44 VAL HB A 45 TRP H 1.0 . 4.8 362 362 A 45 TRP H A 44 VAL HGx% 1.0 . 5.0 363 363 A 44 VAL HGy% A 45 TRP H 1.0 . 3.2 364 364 A 45 TRP H A 45 TRP HA 1.0 . 3.8 365 365 A 45 TRP H A 45 TRP HBy 1.0 . 3.8 366 366 A 45 TRP H A 45 TRP HBx 1.0 . 4.6 367 367 A 45 TRP H A 66 PHE H 1.0 . 4.5 368 368 A 45 TRP H A 67 VAL HA 1.0 . 4.8 369 369 A 45 TRP H A 66 PHE HBy 1.0 . 4.4 370 370 A 45 TRP HBx A 66 PHE HBy 1.0 . 5.2 371 371 A 45 TRP HA A 46 ARG H 1.0 . 3.4 372 372 A 45 TRP HBx A 46 ARG H 1.0 . 3.6 373 373 A 45 TRP H A 46 ARG H 1.0 . 5.4 374 374 A 46 ARG H A 46 ARG HA 1.0 . 3.9 375 375 A 46 ARG H A 46 ARG HBx 1.0 . 4.2 376 376 A 46 ARG H A 46 ARG HDx 1.0 . 3.0 377 377 A 46 ARG H A 46 ARG HGx 1.0 . 4.6 378 378 A 46 ARG H A 47 ARG H 1.0 . 5.3 379 379 A 46 ARG HA A 65 VAL HA 1.0 . 4.5 380 380 A 46 ARG HBx A 65 VAL HGx% 1.0 . 2.8 381 381 A 65 VAL HGx% A 46 ARG HGy 1.0 . 3.4 382 382 A 46 ARG HDx A 65 VAL HGx% 1.0 . 3.6 383 383 A 46 ARG HA A 47 ARG H 1.0 . 3.2 384 384 A 47 ARG H A 46 ARG HBy 1.0 . 3.8 385 385 A 46 ARG HDx A 47 ARG H 1.0 . 5.6 386 386 A 46 ARG HGx A 47 ARG H 1.0 . 4.5 387 387 A 47 ARG H A 47 ARG HA 1.0 . 3.8 388 388 A 47 ARG H A 47 ARG HBx 1.0 . 4.0 389 389 A 47 ARG H A 47 ARG HGx 1.0 . 3.7 390 390 A 47 ARG H A 47 ARG HDy 1.0 . 5.4 391 391 A 47 ARG H A 48 TYR H 1.0 . 5.4 392 392 A 47 ARG HA A 48 TYR H 1.0 . 3.4 393 393 A 48 TYR H A 47 ARG HBy 1.0 . 3.6 394 394 A 47 ARG HGx A 48 TYR H 1.0 . 4.2 395 395 A 48 TYR H A 47 ARG HDx 1.0 . 5.6 396 396 A 48 TYR H A 48 TYR HA 1.0 . 3.8 397 397 A 48 TYR H A 48 TYR HBy 1.0 . 4.8 398 398 A 48 TYR H A 48 TYR HBx 1.0 . 4.5 399 399 A 48 TYR HA A 61 THR HA 1.0 . 3.6 400 400 A 48 TYR HA A 49 PHE H 1.0 . 3.1 401 401 A 48 TYR HBy A 49 PHE H 1.0 . 4.4 402 402 A 48 TYR H A 49 PHE H 1.0 . 5.0 403 403 A 49 PHE H A 49 PHE HA 1.0 . 3.9 404 404 A 49 PHE H A 49 PHE HBy 1.0 . 3.3 405 405 A 49 PHE H A 50 ALA H 1.0 . 5.4 406 406 A 49 PHE H A 61 THR HB 1.0 . 3.2 407 407 A 49 PHE HBy A 59 SER HBy 1.0 . 3.8 408 408 A 49 PHE HA A 50 ALA H 1.0 . 3.1 409 409 A 50 ALA H A 49 PHE HBx 1.0 . 4.5 410 410 A 50 ALA H A 50 ALA HA 1.0 . 3.8 411 411 A 50 ALA H A 50 ALA HB% 1.0 . 3.3 412 412 A 50 ALA H A 51 GLY H 1.0 . 3.4 413 413 A 50 ALA HB% A 48 TYR HDx 1.0 . 5.0 414 414 A 49 PHE HA A 51 GLY H 1.0 . 4.8 415 415 A 50 ALA HA A 51 GLY H 1.0 . 4.5 416 416 A 51 GLY H A 50 ALA HB% 1.0 . 3.8 417 417 A 51 GLY H A 51 GLY HAy 1.0 . 3.4 418 418 A 51 GLY H A 51 GLY HAx 1.0 . 3.8 419 419 A 51 GLY H A 52 LYS H 1.0 . 5.1 420 420 A 49 PHE HBx A 51 GLY HAy 1.0 . 5.2 421 421 A 51 GLY HAx A 53 LYS HEx 1.0 . 3.6 422 422 A 51 GLY HAy A 52 LYS H 1.0 . 3.2 423 423 A 51 GLY HAx A 52 LYS H 1.0 . 3.8 424 424 A 52 LYS H A 52 LYS HA 1.0 . 3.8 425 425 A 52 LYS H A 52 LYS HBx 1.0 . 4.8 426 426 A 52 LYS H A 52 LYS HGx 1.0 . 6.0 427 427 A 52 LYS H A 53 LYS H 1.0 . 3.7 428 428 A 51 GLY HAx A 53 LYS H 1.0 . 5.0 429 429 A 52 LYS HA A 53 LYS H 1.0 . 3.7 430 430 A 53 LYS H A 52 LYS HBy 1.0 . 5.4 431 431 A 53 LYS H A 52 LYS HGy 1.0 . 5.2 432 432 A 53 LYS H A 52 LYS HDx 1.0 . 5.8 433 433 A 53 LYS H A 53 LYS HA 1.0 . 3.8 434 434 A 53 LYS H A 53 LYS HBx 1.0 . 4.5 435 435 A 53 LYS H A 53 LYS HDy 1.0 . 4.1 436 436 A 53 LYS HEx A 53 LYS H 1.0 . 4.8 437 437 A 53 LYS H A 53 LYS HGy 1.0 . 3.5 438 438 A 53 LYS H A 54 ASP H 1.0 . 5.4 439 439 A 53 LYS H A 55 ALA H 1.0 . 5.1 440 440 A 53 LYS HA A 54 ASP H 1.0 . 3.6 441 441 A 54 ASP H A 53 LYS HBy 1.0 . 3.0 442 442 A 54 ASP H A 53 LYS HGx 1.0 . 4.6 443 443 A 54 ASP H A 54 ASP HA 1.0 . 3.8 444 444 A 54 ASP H A 54 ASP HBx 1.0 . 4.4 445 445 A 54 ASP H A 54 ASP HBy 1.0 . 3.4 446 446 A 54 ASP H A 55 ALA H 1.0 . 3.8 447 447 A 55 ALA H A 55 ALA HA 1.0 . 3.8 448 448 A 55 ALA H A 55 ALA HB% 1.0 . 3.4 449 449 A 53 LYS HGx A 55 ALA HB% 1.0 . 3.3 450 450 A 58 GLU H A 57 PRO HA 1.0 . 3.2 451 451 A 58 GLU H A 57 PRO HBy 1.0 . 5.0 452 452 A 58 GLU H A 58 GLU HA 1.0 . 3.9 453 453 A 58 GLU H A 58 GLU HBx 1.0 . 3.4 454 454 A 58 GLU H A 58 GLU HGx 1.0 . 5.2 455 455 A 58 GLU H A 59 SER H 1.0 . 3.3 456 456 A 55 ALA HB% A 58 GLU HBy 1.0 . 6.2 457 457 A 58 GLU HBy A 56 PRO HGx 1.0 . 5.1 458 458 A 57 PRO HA A 59 SER H 1.0 . 4.6 459 459 A 58 GLU HA A 59 SER H 1.0 . 4.5 460 460 A 58 GLU HBx A 59 SER H 1.0 . 3.8 461 461 A 58 GLU HGx A 59 SER H 1.0 . 4.6 462 462 A 59 SER H A 59 SER HA 1.0 . 3.8 463 463 A 59 SER HBy A 59 SER H 1.0 . 4.2 464 464 A 59 SER H A 60 ARG H 1.0 . 5.4 465 465 A 49 PHE HBy A 60 ARG H 1.0 . 5.5 466 466 A 59 SER HA A 60 ARG H 1.0 . 3.5 467 467 A 59 SER HBy A 60 ARG H 1.0 . 3.4 468 468 A 60 ARG H A 59 SER HBx 1.0 . 4.0 469 469 A 60 ARG H A 60 ARG HA 1.0 . 3.9 470 470 A 60 ARG H A 60 ARG HBy 1.0 . 3.8 471 471 A 60 ARG H A 60 ARG HDy 1.0 . 4.5 472 472 A 60 ARG H A 60 ARG HGx 1.0 . 3.5 473 473 A 60 ARG HA A 61 THR H 1.0 . 3.2 474 474 A 61 THR H A 60 ARG HBx 1.0 . 4.4 475 475 A 61 THR H A 60 ARG HDx 1.0 . 5.4 476 476 A 60 ARG H A 61 THR H 1.0 . 5.3 477 477 A 61 THR HA A 61 THR H 1.0 . 3.8 478 478 A 61 THR HB A 61 THR H 1.0 . 3.2 479 479 A 61 THR H A 61 THR HG2% 1.0 . 3.0 480 480 A 61 THR H A 62 LYS H 1.0 . 5.0 481 481 A 61 THR HA A 59 SER HBy 1.0 . 6.0 482 482 A 48 TYR HBx A 61 THR HA 1.0 . 4.8 483 483 A 48 TYR HA A 62 LYS H 1.0 . 4.5 484 484 A 61 THR HA A 62 LYS H 1.0 . 3.2 485 485 A 61 THR HB A 62 LYS H 1.0 . 5.4 486 486 A 61 THR HG2% A 62 LYS H 1.0 . 5.5 487 487 A 62 LYS H A 62 LYS HA 1.0 . 3.8 488 488 A 62 LYS H A 62 LYS HBx 1.0 . 4.5 489 489 A 62 LYS H A 62 LYS HGx 1.0 . 3.9 490 490 A 62 LYS H A 62 LYS HDx 1.0 . 3.2 491 491 A 62 LYS H A 62 LYS HEy 1.0 . 5.4 492 492 A 60 ARG HBx A 62 LYS HEx 1.0 . 3.2 493 493 A 62 LYS HA A 64 SER H 1.0 . 5.0 494 494 A 62 LYS HBx A 64 SER H 1.0 . 3.5 495 495 A 64 SER H A 62 LYS HGy 1.0 . 4.2 496 496 A 64 SER H A 63 PRO HA 1.0 . 4.4 497 497 A 64 SER H A 63 PRO HBx 1.0 . 4.7 498 498 A 64 SER H A 63 PRO HDx 1.0 . 3.8 499 499 A 64 SER H A 63 PRO HGx 1.0 . 3.9 500 500 A 64 SER H A 64 SER HA 1.0 . 3.8 501 501 A 64 SER H A 64 SER HBx 1.0 . 3.6 502 502 A 20 LYS HA A 64 SER HA 1.0 . 4.0 503 503 A 18 TYR HBx A 64 SER HBy 1.0 . 3.8 504 504 A 62 LYS HBx A 64 SER HBx 1.0 . 4.5 505 505 A 66 PHE HEy A 64 SER HBx 1.0 . 4.4 506 506 A 18 TYR HA A 65 VAL H 1.0 . 5.4 507 507 A 65 VAL H A 64 SER HA 1.0 . 3.2 508 508 A 64 SER HBy A 65 VAL H 1.0 . 4.0 509 509 A 65 VAL H A 64 SER H 1.0 . 5.5 510 510 A 65 VAL H A 65 VAL HA 1.0 . 3.8 511 511 A 65 VAL HB A 65 VAL H 1.0 . 4.6 512 512 A 65 VAL H A 65 VAL HGx% 1.0 . 4.0 513 513 A 65 VAL HGy% A 65 VAL H 1.0 . 3.2 514 514 A 46 ARG HBx A 65 VAL HA 1.0 . 3.0 515 515 A 66 PHE H A 46 ARG HA 1.0 . 4.3 516 516 A 66 PHE H A 65 VAL HA 1.0 . 3.2 517 517 A 65 VAL HB A 66 PHE H 1.0 . 3.9 518 518 A 66 PHE H A 65 VAL HGx% 1.0 . 5.5 519 519 A 65 VAL H A 66 PHE H 1.0 . 5.5 520 520 A 66 PHE HA A 66 PHE H 1.0 . 3.8 521 521 A 66 PHE H A 66 PHE HBy 1.0 . 3.7 522 522 A 67 VAL H A 66 PHE H 1.0 . 5.5 523 523 A 66 PHE HBx A 16 THR HG2% 1.0 . 3.8 524 524 A 67 VAL H A 18 TYR HA 1.0 . 4.9 525 525 A 17 VAL HGx% A 67 VAL HGy% 1.0 . 4.2 526 526 A 67 VAL H A 66 PHE HA 1.0 . 3.2 527 527 A 66 PHE HBx A 67 VAL H 1.0 . 4.2 528 528 A 67 VAL H A 67 VAL HA 1.0 . 3.9 529 529 A 67 VAL H A 67 VAL HB 1.0 . 4.8 530 530 A 67 VAL H A 67 VAL HGx% 1.0 . 4.4 531 531 A 67 VAL H A 67 VAL HGy% 1.0 . 3.4 532 532 A 44 VAL HB A 67 VAL HA 1.0 . 4.6 533 533 A 65 VAL HGy% A 67 VAL HGx% 1.0 . 4.3 534 534 A 68 VAL H A 44 VAL HA 1.0 . 4.5 535 535 A 68 VAL H A 67 VAL HA 1.0 . 3.2 536 536 A 67 VAL HB A 68 VAL H 1.0 . 3.1 537 537 A 68 VAL H A 67 VAL HGx% 1.0 . 5.5 538 538 A 68 VAL H A 67 VAL HGy% 1.0 . 5.4 539 539 A 67 VAL H A 68 VAL H 1.0 . 5.3 540 540 A 68 VAL HA A 68 VAL H 1.0 . 3.2 541 541 A 68 VAL H A 68 VAL HB 1.0 . 4.1 542 542 A 68 VAL H A 68 VAL HGx% 1.0 . 5.5 543 543 A 68 VAL H A 69 PHE H 1.0 . 5.3 544 544 A 66 PHE HBy A 68 VAL HGy% 1.0 . 6.0 545 545 A 15 GLN HGy A 69 PHE H 1.0 . 4.0 546 546 A 17 VAL HGy% A 69 PHE H 1.0 . 4.8 547 547 A 68 VAL HA A 69 PHE H 1.0 . 3.1 548 548 A 69 PHE H A 68 VAL HB 1.0 . 5.2 549 549 A 69 PHE H A 68 VAL HGx% 1.0 . 4.5 550 550 A 69 PHE H A 68 VAL HGy% 1.0 . 5.5 551 551 A 69 PHE HA A 69 PHE H 1.0 . 3.8 552 552 A 69 PHE HBy A 69 PHE H 1.0 . 3.4 553 553 A 69 PHE H A 69 PHE HBx 1.0 . 4.5 554 554 A 67 VAL HB A 69 PHE HA 1.0 . 6.2 555 555 A 41 VAL HA A 70 ASN H 1.0 . 4.3 556 556 A 42 GLN HA A 70 ASN H 1.0 . 4.6 557 557 A 42 GLN HBy A 70 ASN H 1.0 . 3.4 558 558 A 70 ASN HBy A 42 GLN HGx 1.0 . 3.0 559 559 A 69 PHE HA A 70 ASN H 1.0 . 3.2 560 560 A 70 ASN H A 69 PHE HBx 1.0 . 4.0 561 561 A 69 PHE H A 70 ASN H 1.0 . 5.6 562 562 A 70 ASN H A 70 ASN HA 1.0 . 3.9 563 563 A 70 ASN H A 70 ASN HBy 1.0 . 3.3 564 564 A 70 ASN H A 70 ASN HBx 1.0 . 3.8 565 565 A 68 VAL HGx% A 70 ASN HA 1.0 . 5.1 566 566 A 41 VAL H A 70 ASN H 1.0 . 5.6 567 567 A 41 VAL HA A 71 SER H 1.0 . 5.8 568 568 A 69 PHE HA A 71 SER H 1.0 . 5.1 569 569 A 69 PHE HBx A 71 SER H 1.0 . 4.2 570 570 A 70 ASN HA A 71 SER H 1.0 . 4.5 571 571 A 70 ASN HBy A 71 SER H 1.0 . 4.6 572 572 A 70 ASN HBx A 71 SER H 1.0 . 3.5 573 573 A 70 ASN H A 71 SER H 1.0 . 3.3 574 574 A 71 SER H A 71 SER HA 1.0 . 3.8 575 575 A 71 SER H A 71 SER HBy 1.0 . 4.0 576 576 A 71 SER H A 71 SER HBx 1.0 . 4.4 577 577 A 71 SER HBy A 74 GLU HBx 1.0 . 3.4 578 578 A 71 SER HA A 72 SER H 1.0 . 3.1 579 579 A 71 SER HBy A 72 SER H 1.0 . 4.6 580 580 A 71 SER HBx A 72 SER H 1.0 . 4.4 581 581 A 71 SER H A 72 SER H 1.0 . 5.5 582 582 A 72 SER H A 72 SER HA 1.0 . 3.8 583 583 A 72 SER H A 72 SER HBx 1.0 . 3.8 584 584 A 72 SER H A 73 GLU H 1.0 . 3.8 585 585 A 72 SER H A 75 ALA H 1.0 . 5.5 586 586 A 72 SER HA A 75 ALA HB% 1.0 . 3.4 587 587 A 72 SER HBy A 76 GLU HGx 1.0 . 5.4 588 588 A 71 SER HA A 73 GLU H 1.0 . 5.2 589 589 A 71 SER HBy A 73 GLU H 1.0 . 4.8 590 590 A 72 SER HA A 73 GLU H 1.0 . 4.5 591 591 A 73 GLU H A 72 SER HBy 1.0 . 4.2 592 592 A 73 GLU H A 73 GLU HA 1.0 . 3.8 593 593 A 73 GLU H A 73 GLU HBy 1.0 . 3.2 594 594 A 73 GLU H A 73 GLU HGx 1.0 . 5.1 595 595 A 73 GLU H A 74 GLU H 1.0 . 4.0 596 596 A 73 GLU H A 76 GLU H 1.0 . 5.8 597 597 A 73 GLU HA A 76 GLU HBy 1.0 . 4.5 598 598 A 71 SER HBy A 74 GLU H 1.0 . 3.4 599 599 A 71 SER H A 74 GLU H 1.0 . 5.8 600 600 A 72 SER HA A 74 GLU H 1.0 . 5.8 601 601 A 72 SER H A 74 GLU H 1.0 . 5.5 602 602 A 73 GLU HA A 74 GLU H 1.0 . 4.5 603 603 A 74 GLU H A 73 GLU HBx 1.0 . 3.2 604 604 A 74 GLU H A 73 GLU HGy 1.0 . 5.1 605 605 A 74 GLU H A 74 GLU HA 1.0 . 3.8 606 606 A 74 GLU H A 74 GLU HBy 1.0 . 3.3 607 607 A 74 GLU H A 74 GLU HGx 1.0 . 5.2 608 608 A 75 ALA H A 74 GLU H 1.0 . 3.7 609 609 A 74 GLU HA A 77 ALA HB% 1.0 . 3.8 610 610 A 69 PHE HBx A 75 ALA H 1.0 . 4.8 611 611 A 71 SER HBy A 75 ALA H 1.0 . 4.4 612 612 A 72 SER HA A 75 ALA H 1.0 . 4.6 613 613 A 75 ALA H A 73 GLU HA 1.0 . 5.2 614 614 A 73 GLU H A 75 ALA H 1.0 . 5.0 615 615 A 75 ALA H A 74 GLU HA 1.0 . 4.5 616 616 A 74 GLU HBx A 75 ALA H 1.0 . 3.8 617 617 A 74 GLU HGy A 75 ALA H 1.0 . 5.5 618 618 A 75 ALA H A 75 ALA HA 1.0 . 3.8 619 619 A 75 ALA H A 75 ALA HB% 1.0 . 3.6 620 620 A 75 ALA H A 78 PHE H 1.0 . 5.8 621 621 A 75 ALA HA A 78 PHE HBy 1.0 . 4.0 622 622 A 15 GLN HBy A 75 ALA HB% 1.0 . 5.1 623 623 A 72 SER HA A 76 GLU H 1.0 . 5.2 624 624 A 72 SER HBy A 76 GLU H 1.0 . 5.8 625 625 A 73 GLU HA A 76 GLU H 1.0 . 4.6 626 626 A 76 GLU H A 74 GLU HA 1.0 . 5.5 627 627 A 74 GLU H A 76 GLU H 1.0 . 5.5 628 628 A 76 GLU H A 75 ALA HA 1.0 . 4.5 629 629 A 76 GLU H A 75 ALA HB% 1.0 . 4.0 630 630 A 75 ALA H A 76 GLU H 1.0 . 3.8 631 631 A 76 GLU H A 76 GLU HA 1.0 . 3.8 632 632 A 76 GLU H A 76 GLU HBy 1.0 . 3.2 633 633 A 76 GLU H A 76 GLU HGy 1.0 . 3.8 634 634 A 76 GLU H A 77 ALA H 1.0 . 3.8 635 635 A 76 GLU H A 79 GLN H 1.0 . 5.8 636 636 A 73 GLU HA A 77 ALA H 1.0 . 5.2 637 637 A 73 GLU HGy A 77 ALA H 1.0 . 5.7 638 638 A 74 GLU HA A 77 ALA H 1.0 . 4.5 639 639 A 75 ALA HA A 77 ALA H 1.0 . 5.2 640 640 A 75 ALA H A 77 ALA H 1.0 . 5.1 641 641 A 76 GLU HA A 77 ALA H 1.0 . 4.5 642 642 A 76 GLU HBy A 77 ALA H 1.0 . 3.8 643 643 A 77 ALA H A 77 ALA HA 1.0 . 3.8 644 644 A 77 ALA H A 77 ALA HB% 1.0 . 3.2 645 645 A 77 ALA HA A 80 LYS HBx 1.0 . 4.4 646 646 A 77 ALA H A 80 LYS H 1.0 . 5.8 647 647 A 74 GLU HA A 78 PHE H 1.0 . 5.0 648 648 A 74 GLU HGx A 78 PHE H 1.0 . 5.4 649 649 A 75 ALA HA A 78 PHE H 1.0 . 4.8 650 650 A 78 PHE H A 76 GLU HA 1.0 . 5.5 651 651 A 76 GLU H A 78 PHE H 1.0 . 5.2 652 652 A 78 PHE H A 77 ALA HA 1.0 . 4.5 653 653 A 78 PHE H A 77 ALA HB% 1.0 . 3.8 654 654 A 78 PHE H A 77 ALA H 1.0 . 3.8 655 655 A 78 PHE H A 78 PHE HA 1.0 . 3.8 656 656 A 78 PHE H A 78 PHE HBy 1.0 . 3.2 657 657 A 78 PHE H A 78 PHE HBx 1.0 . 4.2 658 658 A 78 PHE H A 79 GLN H 1.0 . 3.8 659 659 A 78 PHE H A 80 LYS H 1.0 . 5.2 660 660 A 74 GLU HGx A 78 PHE HDy 1.0 . 3.4 661 661 A 75 ALA HA A 79 GLN H 1.0 . 5.2 662 662 A 76 GLU HA A 79 GLN H 1.0 . 4.5 663 663 A 79 GLN H A 77 ALA HA 1.0 . 5.5 664 664 A 77 ALA H A 79 GLN H 1.0 . 5.1 665 665 A 79 GLN H A 78 PHE HA 1.0 . 4.5 666 666 A 78 PHE HBy A 79 GLN H 1.0 . 4.0 667 667 A 79 GLN H A 78 PHE HBx 1.0 . 4.2 668 668 A 79 GLN H A 79 GLN HA 1.0 . 3.8 669 669 A 79 GLN H A 79 GLN HBy 1.0 . 3.2 670 670 A 79 GLN H A 79 GLN HGy 1.0 . 4.2 671 671 A 79 GLN HGx A 94 MET HGx 1.0 . 3.2 672 672 A 17 VAL HGy% A 79 GLN HGy 1.0 . 4.6 673 673 A 76 GLU HA A 80 LYS H 1.0 . 5.2 674 674 A 80 LYS H A 76 GLU HBx 1.0 . 5.8 675 675 A 77 ALA HA A 80 LYS H 1.0 . 4.8 676 676 A 80 LYS H A 78 PHE HA 1.0 . 5.4 677 677 A 80 LYS H A 79 GLN HA 1.0 . 4.5 678 678 A 80 LYS H A 79 GLN HBy 1.0 . 4.0 679 679 A 79 GLN H A 80 LYS H 1.0 . 3.7 680 680 A 80 LYS H A 80 LYS HA 1.0 . 3.8 681 681 A 80 LYS H A 80 LYS HBy 1.0 . 3.5 682 682 A 80 LYS HBx A 80 LYS H 1.0 . 3.6 683 683 A 80 LYS H A 80 LYS HDy 1.0 . 4.6 684 684 A 80 LYS H A 80 LYS HEx 1.0 . 5.8 685 685 A 80 LYS H A 80 LYS HGy 1.0 . 5.4 686 686 A 80 LYS H A 81 ALA H 1.0 . 4.1 687 687 A 77 ALA HA A 81 ALA H 1.0 . 5.5 688 688 A 78 PHE HA A 81 ALA H 1.0 . 5.0 689 689 A 78 PHE H A 81 ALA H 1.0 . 6.2 690 690 A 79 GLN HA A 81 ALA H 1.0 . 6.1 691 691 A 79 GLN H A 81 ALA H 1.0 . 5.8 692 692 A 80 LYS HA A 81 ALA H 1.0 . 4.5 693 693 A 80 LYS HBx A 81 ALA H 1.0 . 3.2 694 694 A 81 ALA H A 80 LYS HGx 1.0 . 4.2 695 695 A 80 LYS HEx A 81 ALA H 1.0 . 4.0 696 696 A 80 LYS HDy A 81 ALA H 1.0 . 5.5 697 697 A 80 LYS H A 81 ALA H 1.0 . 4.0 698 698 A 81 ALA H A 81 ALA HA 1.0 . 3.8 699 699 A 81 ALA H A 81 ALA HB% 1.0 . 4.2 700 700 A 81 ALA HA A 82 PRO HDy 1.0 . 3.3 701 701 A 84 MET H A 83 PRO HA 1.0 . 4.5 702 702 A 84 MET H A 83 PRO HBx 1.0 . 4.0 703 703 A 84 MET H A 83 PRO HDx 1.0 . 3.8 704 704 A 84 MET H A 83 PRO HGx 1.0 . 3.0 705 705 A 84 MET H A 84 MET HA 1.0 . 3.3 706 706 A 84 MET H A 84 MET HBy 1.0 . 4.2 707 707 A 84 MET H A 84 MET HGy 1.0 . 4.8 708 708 A 84 MET H A 85 TYR H 1.0 . 4.8 709 709 A 84 MET H A 90 LEU HBx 1.0 . 3.2 710 710 A 84 MET HGx A 82 PRO HGx 1.0 . 4.2 711 711 A 84 MET HA A 85 TYR H 1.0 . 3.1 712 712 A 85 TYR H A 84 MET HBx 1.0 . 4.6 713 713 A 84 MET HGy A 85 TYR H 1.0 . 4.6 714 714 A 85 TYR H A 85 TYR HA 1.0 . 3.8 715 715 A 85 TYR H A 85 TYR HBy 1.0 . 3.5 716 716 A 85 TYR H A 85 TYR HBx 1.0 . 4.2 717 717 A 85 TYR H A 86 ASP H 1.0 . 5.4 718 718 A 85 TYR H A 89 GLN HA 1.0 . 4.2 719 719 A 85 TYR H A 90 LEU HBy 1.0 . 3.2 720 720 A 85 TYR HA A 86 ASP H 1.0 . 3.1 721 721 A 85 TYR HBx A 86 ASP H 1.0 . 4.5 722 722 A 86 ASP H A 86 ASP HA 1.0 . 3.8 723 723 A 86 ASP H A 86 ASP HBy 1.0 . 3.8 724 724 A 86 ASP H A 87 ASP H 1.0 . 4.0 725 725 A 86 ASP H A 88 VAL H 1.0 . 5.6 726 726 A 84 MET HBx A 86 ASP HA 1.0 . 6.5 727 727 A 85 TYR HA A 87 ASP H 1.0 . 5.1 728 728 A 85 TYR HBx A 87 ASP H 1.0 . 4.3 729 729 A 86 ASP HA A 87 ASP H 1.0 . 4.5 730 730 A 86 ASP HBy A 87 ASP H 1.0 . 3.5 731 731 A 87 ASP H A 86 ASP HBx 1.0 . 4.6 732 732 A 87 ASP H A 87 ASP HA 1.0 . 3.8 733 733 A 87 ASP H A 87 ASP HBy 1.0 . 3.2 734 734 A 87 ASP H A 87 ASP HBx 1.0 . 3.8 735 735 A 87 ASP H A 88 VAL H 1.0 . 3.8 736 736 A 87 ASP HBx A 34 PHE HEy 1.0 . 4.4 737 737 A 85 TYR HBx A 88 VAL H 1.0 . 3.2 738 738 A 86 ASP HA A 88 VAL H 1.0 . 6.0 739 739 A 86 ASP HBy A 88 VAL H 1.0 . 6.2 740 740 A 88 VAL H A 87 ASP HA 1.0 . 4.6 741 741 A 88 VAL H A 87 ASP HBy 1.0 . 4.3 742 742 A 88 VAL H A 87 ASP HBx 1.0 . 3.2 743 743 A 88 VAL H A 88 VAL HA 1.0 . 3.8 744 744 A 88 VAL H A 88 VAL HB 1.0 . 3.6 745 745 A 88 VAL H A 88 VAL HGx% 1.0 . 5.4 746 746 A 88 VAL H A 88 VAL HGy% 1.0 . 3.8 747 747 A 88 VAL H A 89 GLN H 1.0 . 5.4 748 748 A 88 VAL HGy% A 23 PRO HGy 1.0 . 5.3 749 749 A 88 VAL HA A 89 GLN H 1.0 . 3.2 750 750 A 88 VAL HB A 89 GLN H 1.0 . 5.2 751 751 A 89 GLN H A 88 VAL HGx% 1.0 . 4.0 752 752 A 89 GLN H A 88 VAL HGy% 1.0 . 5.2 753 753 A 89 GLN HA A 89 GLN H 1.0 . 3.8 754 754 A 89 GLN H A 89 GLN HBx 1.0 . 3.2 755 755 A 89 GLN H A 89 GLN HGy 1.0 . 4.4 756 756 A 84 MET HA A 90 LEU H 1.0 . 3.5 757 757 A 84 MET HGy A 90 LEU H 1.0 . 4.5 758 758 A 85 TYR H A 90 LEU H 1.0 . 3.0 759 759 A 89 GLN HA A 90 LEU H 1.0 . 3.2 760 760 A 90 LEU H A 89 GLN HBy 1.0 . 4.6 761 761 A 90 LEU H A 89 GLN HGx 1.0 . 4.5 762 762 A 89 GLN H A 90 LEU H 1.0 . 5.4 763 763 A 90 LEU H A 90 LEU HA 1.0 . 3.8 764 764 A 90 LEU HBy A 90 LEU H 1.0 . 3.1 765 765 A 90 LEU H A 90 LEU HG 1.0 . 5.5 766 766 A 90 LEU HDx% A 90 LEU H 1.0 . 5.3 767 767 A 90 LEU H A 90 LEU HDy% 1.0 . 4.0 768 768 A 90 LEU HA A 20 LYS HDy 1.0 . 3.2 769 769 A 20 LYS HEx A 90 LEU HA 1.0 . 5.4 770 770 A 85 TYR HBy A 90 LEU HDy% 1.0 . 3.2 771 771 A 88 VAL HGx% A 90 LEU HDy% 1.0 . 4.8 772 772 A 91 THR H A 90 LEU HA 1.0 . 3.2 773 773 A 91 THR H A 90 LEU HBx 1.0 . 4.4 774 774 A 91 THR H A 90 LEU HDx% 1.0 . 3.1 775 775 A 91 THR H A 90 LEU HDy% 1.0 . 5.2 776 776 A 91 THR H A 90 LEU H 1.0 . 5.5 777 777 A 91 THR H A 91 THR HA 1.0 . 3.8 778 778 A 91 THR H A 91 THR HB 1.0 . 3.8 779 779 A 91 THR H A 91 THR HG2% 1.0 . 5.4 780 780 A 91 THR HG2% A 93 GLU HGx 1.0 . 4.2 781 781 A 20 LYS HBy A 91 THR H 1.0 . 4.6 782 782 A 91 THR H A 20 LYS HDy 1.0 . 2.8 783 783 A 20 LYS HGx A 91 THR H 1.0 . 3.0 784 784 A 92 ALA H A 83 PRO HDx 1.0 . 4.3 785 785 A 92 ALA H A 91 THR HA 1.0 . 3.2 786 786 A 91 THR HB A 92 ALA H 1.0 . 5.2 787 787 A 92 ALA H A 91 THR HG2% 1.0 . 4.3 788 788 A 91 THR H A 92 ALA H 1.0 . 5.1 789 789 A 92 ALA HA A 92 ALA H 1.0 . 3.8 790 790 A 92 ALA HB1 A 92 ALA H 1.0 . 3.8 791 791 A 92 ALA HA A 19 VAL HGx% 1.0 . 3.6 792 792 A 19 VAL HGy% A 92 ALA HB1 1.0 . 3.6 793 793 A 92 ALA HB1 A 19 VAL HGx% 1.0 . 4.6 794 794 A 92 ALA HB1 A 90 LEU HDx% 1.0 . 4.3 795 795 A 18 TYR HBy A 93 GLU H 1.0 . 4.2 796 796 A 18 TYR HBy A 93 GLU HBx 1.0 . 3.8 797 797 A 93 GLU H A 19 VAL H 1.0 . 6.1 798 798 A 93 GLU H A 19 VAL HA 1.0 . 4.6 799 799 A 93 GLU H A 92 ALA HA 1.0 . 3.2 800 800 A 93 GLU H A 92 ALA HB1 1.0 . 4.3 801 801 A 93 GLU H A 92 ALA H 1.0 . 5.3 802 802 A 93 GLU H A 93 GLU HA 1.0 . 3.8 803 803 A 93 GLU H A 93 GLU HBy 1.0 . 3.6 804 804 A 93 GLU H A 93 GLU HGx 1.0 . 4.2 805 805 A 93 GLU H A 94 MET H 1.0 . 5.4 806 806 A 93 GLU HA A 94 MET H 1.0 . 3.4 807 807 A 93 GLU HBx A 94 MET H 1.0 . 3.5 808 808 A 93 GLU HGx A 94 MET H 1.0 . 5.4 809 809 A 94 MET HA A 94 MET H 1.0 . 3.8 810 810 A 94 MET H A 94 MET HBy 1.0 . 3.4 811 811 A 94 MET HGx A 94 MET H 1.0 . 5.2 812 812 A 94 MET H A 97 THR HB 1.0 . 4.1 813 813 A 94 MET H A 97 THR H 1.0 . 4.7 814 814 A 94 MET HA A 17 VAL HGx% 1.0 . 4.2 815 815 A 17 VAL HA A 95 LYS H 1.0 . 5.1 816 816 A 94 MET HA A 95 LYS H 1.0 . 3.5 817 817 A 95 LYS H A 94 MET HBx 1.0 . 4.0 818 818 A 95 LYS H A 94 MET HGy 1.0 . 3.1 819 819 A 94 MET H A 95 LYS H 1.0 . 5.5 820 820 A 95 LYS H A 95 LYS HA 1.0 . 3.8 821 821 A 95 LYS H A 95 LYS HBx 1.0 . 3.6 822 822 A 95 LYS HDy A 95 LYS H 1.0 . 4.5 823 823 A 95 LYS H A 95 LYS HEx 1.0 . 5.3 824 824 A 95 LYS H A 95 LYS HGx 1.0 . 3.2 825 825 A 95 LYS H A 96 THR H 1.0 . 3.8 826 826 A 97 THR H A 95 LYS H 1.0 . 5.2 827 827 A 95 LYS HA A 98 TYR HBy 1.0 . 4.4 828 828 A 94 MET HA A 96 THR H 1.0 . 5.4 829 829 A 94 MET HBx A 96 THR H 1.0 . 3.8 830 830 A 94 MET HGy A 96 THR H 1.0 . 4.1 831 831 A 95 LYS HA A 96 THR H 1.0 . 4.5 832 832 A 96 THR H A 95 LYS HBy 1.0 . 4.6 833 833 A 95 LYS HGx A 96 THR H 1.0 . 3.2 834 834 A 95 LYS HEx A 96 THR H 1.0 . 5.4 835 835 A 96 THR H A 96 THR HA 1.0 . 3.8 836 836 A 96 THR H A 96 THR HB 1.0 . 3.6 837 837 A 96 THR H A 96 THR HG2% 1.0 . 5.2 838 838 A 97 THR H A 96 THR H 1.0 . 3.8 839 839 A 96 THR H A 99 LEU H 1.0 . 5.6 840 840 A 96 THR HA A 99 LEU HBy 1.0 . 3.5 841 841 A 97 THR H A 94 MET HBx 1.0 . 3.6 842 842 A 97 THR H A 94 MET HGy 1.0 . 5.5 843 843 A 97 THR H A 95 LYS HA 1.0 . 5.6 844 844 A 97 THR H A 95 LYS HGx 1.0 . 5.6 845 845 A 97 THR H A 96 THR HA 1.0 . 4.5 846 846 A 97 THR H A 96 THR HB 1.0 . 3.4 847 847 A 97 THR H A 96 THR HG2% 1.0 . 4.8 848 848 A 97 THR H A 97 THR HA 1.0 . 3.8 849 849 A 97 THR HB A 97 THR H 1.0 . 4.2 850 850 A 97 THR H A 97 THR HG2% 1.0 . 4.6 851 851 A 97 THR H A 98 TYR H 1.0 . 3.8 852 852 A 97 THR HA A 100 GLU HBx 1.0 . 4.5 853 853 A 97 THR H A 100 GLU H 1.0 . 5.8 854 854 A 93 GLU HBx A 97 THR HB 1.0 . 3.6 855 855 A 94 MET H A 98 TYR H 1.0 . 5.0 856 856 A 94 MET HBx A 98 TYR H 1.0 . 5.5 857 857 A 95 LYS HA A 98 TYR H 1.0 . 4.8 858 858 A 95 LYS H A 98 TYR H 1.0 . 5.8 859 859 A 96 THR HA A 98 TYR H 1.0 . 5.8 860 860 A 96 THR H A 98 TYR H 1.0 . 5.4 861 861 A 97 THR HA A 98 TYR H 1.0 . 4.5 862 862 A 97 THR HB A 98 TYR H 1.0 . 3.4 863 863 A 98 TYR H A 97 THR HG2% 1.0 . 5.4 864 864 A 98 TYR H A 98 TYR HA 1.0 . 3.8 865 865 A 98 TYR HBy A 98 TYR H 1.0 . 3.1 866 866 A 98 TYR H A 98 TYR HBx 1.0 . 4.1 867 867 A 99 LEU H A 98 TYR H 1.0 . 3.8 868 868 A 98 TYR H A 100 GLU H 1.0 . 5.4 869 869 A 98 TYR H A 101 ARG H 1.0 . 5.6 870 870 A 98 TYR HA A 101 ARG HBy 1.0 . 3.3 871 871 A 95 LYS HA A 99 LEU H 1.0 . 5.0 872 872 A 95 LYS HBy A 99 LEU H 1.0 . 5.8 873 873 A 96 THR HA A 99 LEU H 1.0 . 4.7 874 874 A 99 LEU H A 97 THR HA 1.0 . 5.6 875 875 A 97 THR H A 99 LEU H 1.0 . 5.2 876 876 A 99 LEU H A 98 TYR HA 1.0 . 4.5 877 877 A 98 TYR HBy A 99 LEU H 1.0 . 4.1 878 878 A 99 LEU H A 98 TYR HBx 1.0 . 3.8 879 879 A 99 LEU H A 99 LEU HA 1.0 . 3.8 880 880 A 99 LEU H A 99 LEU HBx 1.0 . 3.5 881 881 A 99 LEU H A 99 LEU HG 1.0 . 5.4 882 882 A 99 LEU H A 99 LEU HDx% 1.0 . 5.4 883 883 A 99 LEU H A 99 LEU HDy% 1.0 . 5.4 884 884 A 99 LEU H A 100 GLU H 1.0 . 3.8 885 885 A 99 LEU HA A 102 LYS HGy 1.0 . 3.8 886 886 A 96 THR HA A 100 GLU H 1.0 . 5.2 887 887 A 96 THR HG2% A 100 GLU H 1.0 . 5.1 888 888 A 97 THR HA A 100 GLU H 1.0 . 4.8 889 889 A 100 GLU H A 98 TYR HA 1.0 . 5.4 890 890 A 100 GLU H A 99 LEU HA 1.0 . 4.6 891 891 A 99 LEU HBy A 100 GLU H 1.0 . 3.5 892 892 A 100 GLU H A 99 LEU HG 1.0 . 5.2 893 893 A 100 GLU H A 99 LEU HDy% 1.0 . 4.3 894 894 A 100 GLU H A 100 GLU HA 1.0 . 3.8 895 895 A 100 GLU H A 100 GLU HBy 1.0 . 3.4 896 896 A 100 GLU H A 100 GLU HGy 1.0 . 5.2 897 897 A 100 GLU H A 101 ARG H 1.0 . 3.7 898 898 A 100 GLU HA A 103 ALA HB% 1.0 . 3.4 899 899 A 100 GLU H A 103 ALA H 1.0 . 5.6 900 900 A 97 THR HA A 101 ARG H 1.0 . 5.3 901 901 A 101 ARG H A 97 THR HG2% 1.0 . 6.0 902 902 A 98 TYR HA A 101 ARG H 1.0 . 4.3 903 903 A 101 ARG H A 99 LEU HA 1.0 . 5.4 904 904 A 99 LEU H A 101 ARG H 1.0 . 5.1 905 905 A 101 ARG H A 100 GLU HA 1.0 . 4.5 906 906 A 100 GLU HBx A 101 ARG H 1.0 . 3.7 907 907 A 101 ARG H A 101 ARG HA 1.0 . 3.8 908 908 A 101 ARG H A 101 ARG HBy 1.0 . 3.2 909 909 A 101 ARG H A 101 ARG HGy 1.0 . 5.0 910 910 A 101 ARG H A 101 ARG HDy 1.0 . 3.6 911 911 A 101 ARG H A 103 ALA H 1.0 . 5.0 912 912 A 101 ARG H A 104 GLU H 1.0 . 5.8 913 913 A 101 ARG HA A 104 GLU HBx 1.0 . 4.8 914 914 A 98 TYR HA A 102 LYS H 1.0 . 4.9 915 915 A 99 LEU HA A 102 LYS H 1.0 . 5.0 916 916 A 99 LEU H A 102 LYS H 1.0 . 5.8 917 917 A 100 GLU HA A 102 LYS H 1.0 . 5.8 918 918 A 100 GLU H A 102 LYS H 1.0 . 5.6 919 919 A 101 ARG HA A 102 LYS H 1.0 . 4.5 920 920 A 101 ARG HBy A 102 LYS H 1.0 . 3.8 921 921 A 101 ARG HDy A 102 LYS H 1.0 . 5.6 922 922 A 101 ARG H A 102 LYS H 1.0 . 3.8 923 923 A 102 LYS H A 102 LYS HA 1.0 . 3.8 924 924 A 102 LYS H A 102 LYS HBx 1.0 . 3.6 925 925 A 102 LYS H A 102 LYS HEx 1.0 . 5.4 926 926 A 102 LYS H A 102 LYS HDx 1.0 . 4.1 927 927 A 102 LYS HGy A 102 LYS H 1.0 . 3.2 928 928 A 103 ALA H A 102 LYS H 1.0 . 3.8 929 929 A 102 LYS H A 105 GLU H 1.0 . 5.7 930 930 A 102 LYS HEy A 60 ARG HGy 1.0 . 4.6 931 931 A 98 TYR HBx A 102 LYS HDx 1.0 . 4.4 932 932 A 102 LYS HA A 105 GLU HBx 1.0 . 3.4 933 933 A 99 LEU HA A 103 ALA H 1.0 . 5.0 934 934 A 99 LEU HG A 103 ALA H 1.0 . 5.5 935 935 A 100 GLU HA A 103 ALA H 1.0 . 4.6 936 936 A 103 ALA H A 101 ARG HA 1.0 . 5.6 937 937 A 103 ALA H A 102 LYS HA 1.0 . 4.5 938 938 A 103 ALA H A 102 LYS HBy 1.0 . 4.6 939 939 A 102 LYS HGy A 103 ALA H 1.0 . 3.2 940 940 A 103 ALA H A 103 ALA HA 1.0 . 3.8 941 941 A 103 ALA HB% A 103 ALA H 1.0 . 3.4 942 942 A 103 ALA H A 105 GLU H 1.0 . 5.0 943 943 A 103 ALA H A 106 ILE H 1.0 . 5.8 944 944 A 103 ALA HA A 106 ILE HG2% 1.0 . 4.0 945 945 A 100 GLU HA A 104 GLU H 1.0 . 5.0 946 946 A 100 GLU HGy A 104 GLU H 1.0 . 5.2 947 947 A 101 ARG HA A 104 GLU H 1.0 . 4.8 948 948 A 104 GLU H A 102 LYS HA 1.0 . 5.2 949 949 A 104 GLU H A 102 LYS H 1.0 . 5.2 950 950 A 104 GLU H A 103 ALA HA 1.0 . 4.5 951 951 A 103 ALA HB% A 104 GLU H 1.0 . 3.8 952 952 A 103 ALA H A 104 GLU H 1.0 . 3.8 953 953 A 104 GLU H A 104 GLU HA 1.0 . 3.8 954 954 A 104 GLU H A 104 GLU HBy 1.0 . 3.4 955 955 A 104 GLU H A 104 GLU HGx 1.0 . 5.2 956 956 A 104 GLU H A 105 GLU H 1.0 . 3.8 957 957 A 104 GLU H A 106 ILE H 1.0 . 5.6 958 958 A 101 ARG HA A 105 GLU H 1.0 . 5.2 959 959 A 105 GLU H A 101 ARG HBx 1.0 . 6.0 960 960 A 102 LYS HA A 105 GLU H 1.0 . 4.2 961 961 A 105 GLU H A 103 ALA HA 1.0 . 5.5 962 962 A 105 GLU H A 104 GLU HA 1.0 . 4.5 963 963 A 104 GLU HBx A 105 GLU H 1.0 . 3.8 964 964 A 105 GLU H A 104 GLU HGy 1.0 . 5.2 965 965 A 105 GLU H A 105 GLU HA 1.0 . 3.8 966 966 A 105 GLU H A 105 GLU HBx 1.0 . 3.4 967 967 A 105 GLU H A 105 GLU HGy 1.0 . 5.2 968 968 A 105 GLU H A 106 ILE H 1.0 . 3.8 969 969 A 102 LYS HA A 106 ILE H 1.0 . 4.8 970 970 A 102 LYS HBy A 106 ILE H 1.0 . 5.4 971 971 A 103 ALA HA A 106 ILE H 1.0 . 5.2 972 972 A 106 ILE H A 104 GLU HA 1.0 . 5.8 973 973 A 106 ILE H A 105 GLU HA 1.0 . 4.5 974 974 A 105 GLU HBx A 106 ILE H 1.0 . 3.2 975 975 A 106 ILE H A 105 GLU HGy 1.0 . 3.8 976 976 A 106 ILE H A 106 ILE HA 1.0 . 3.8 977 977 A 106 ILE H A 106 ILE HB 1.0 . 3.5 978 978 A 106 ILE H A 106 ILE HG1x 1.0 . 5.5 979 979 A 106 ILE H A 106 ILE HG2% 1.0 . 3.3 980 980 A 106 ILE H A 106 ILE HD1% 1.0 . 5.5 981 981 A 106 ILE H A 107 ALA H 1.0 . 3.8 982 982 A 106 ILE HA A 109 LYS HGy 1.0 . 3.5 983 983 A 103 ALA HA A 107 ALA H 1.0 . 5.4 984 984 A 104 GLU HA A 107 ALA H 1.0 . 4.5 985 985 A 104 GLU H A 107 ALA H 1.0 . 5.8 986 986 A 105 GLU HA A 107 ALA H 1.0 . 5.2 987 987 A 105 GLU H A 107 ALA H 1.0 . 4.0 988 988 A 106 ILE HA A 107 ALA H 1.0 . 4.5 989 989 A 106 ILE HB A 107 ALA H 1.0 . 4.8 990 990 A 106 ILE HG2% A 107 ALA H 1.0 . 3.5 991 991 A 107 ALA H A 107 ALA HA 1.0 . 3.8 992 992 A 107 ALA H A 107 ALA HB% 1.0 . 3.3 993 993 A 107 ALA H A 109 LYS H 1.0 . 5.4 994 994 A 104 GLU HA A 108 ALA H 1.0 . 5.8 995 995 A 104 GLU HGy A 108 ALA H 1.0 . 6.0 996 996 A 105 GLU HA A 108 ALA H 1.0 . 4.8 997 997 A 105 GLU H A 108 ALA H 1.0 . 6.0 998 998 A 106 ILE HA A 108 ALA H 1.0 . 5.2 999 999 A 106 ILE H A 108 ALA H 1.0 . 5.0 1000 1000 A 107 ALA HA A 108 ALA H 1.0 . 4.5 1001 1001 A 107 ALA HB% A 108 ALA H 1.0 . 4.0 1002 1002 A 108 ALA H A 108 ALA HA 1.0 . 3.8 1003 1003 A 108 ALA H A 108 ALA HB1 1.0 . 3.8 1004 1004 A 109 LYS H A 108 ALA H 1.0 . 3.5 1005 1005 A 105 GLU HA A 109 LYS H 1.0 . 5.8 1006 1006 A 106 ILE HA A 109 LYS H 1.0 . 4.2 1007 1007 A 106 ILE H A 109 LYS H 1.0 . 5.8 1008 1008 A 107 ALA HA A 109 LYS H 1.0 . 5.6 1009 1009 A 109 LYS H A 108 ALA HA 1.0 . 4.5 1010 1010 A 109 LYS H A 108 ALA HB1 1.0 . 3.8 1011 1011 A 109 LYS H A 109 LYS HA 1.0 . 3.8 1012 1012 A 109 LYS H A 109 LYS HBy 1.0 . 3.7 1013 1013 A 109 LYS H A 109 LYS HGx 1.0 . 3.3 1014 1014 A 109 LYS H A 109 LYS HDx 1.0 . 5.5 1015 1015 A 109 LYS H A 110 LYS H 1.0 . 3.8 1016 1016 A 105 GLU HGy A 109 LYS HGy 1.0 . 4.4 1017 1017 A 106 ILE HA A 110 LYS H 1.0 . 4.8 1018 1018 A 106 ILE HG1x A 110 LYS H 1.0 . 4.0 1019 1019 A 107 ALA HA A 110 LYS H 1.0 . 5.2 1020 1020 A 107 ALA H A 110 LYS H 1.0 . 5.8 1021 1021 A 108 ALA HA A 110 LYS H 1.0 . 5.8 1022 1022 A 108 ALA H A 110 LYS H 1.0 . 5.4 1023 1023 A 109 LYS HA A 110 LYS H 1.0 . 4.5 1024 1024 A 109 LYS HBy A 110 LYS H 1.0 . 3.2 1025 1025 A 109 LYS HGy A 110 LYS H 1.0 . 4.8 1026 1026 A 110 LYS H A 109 LYS HEx 1.0 . 5.5 1027 1027 A 110 LYS H A 110 LYS HA 1.0 . 3.8 1028 1028 A 110 LYS H A 110 LYS HBy 1.0 . 3.4 1029 1029 A 110 LYS H A 110 LYS HGy 1.0 . 4.0 1030 1030 A 110 LYS H A 110 LYS HDx 1.0 . 4.8 1031 1031 A 110 LYS H A 110 LYS HEx 1.0 . 5.4 1032 1032 A 106 ILE HG1x A 110 LYS HBy 1.0 . 3.6 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 32 THR H A 28 LEU O 1.0 . 1.95 2 2 A 28 LEU O A 32 THR N 1.0 . 2.95 3 3 A 33 GLU H A 29 GLU O 1.0 . 1.95 4 4 A 29 GLU O A 33 GLU N 1.0 . 2.95 5 5 A 34 PHE H A 30 GLN O 1.0 . 1.95 6 6 A 30 GLN O A 34 PHE N 1.0 . 2.95 7 7 A 35 PHE H A 31 LEU O 1.0 . 1.95 8 8 A 31 LEU O A 35 PHE N 1.0 . 2.95 9 9 A 36 SER H A 32 THR O 1.0 . 1.95 10 10 A 32 THR O A 36 SER N 1.0 . 2.95 11 11 A 76 GLU H A 72 SER O 1.0 . 1.95 12 12 A 72 SER O A 76 GLU N 1.0 . 2.95 13 13 A 77 ALA H A 73 GLU O 1.0 . 1.95 14 14 A 73 GLU O A 77 ALA N 1.0 . 2.95 15 15 A 78 PHE H A 74 GLU O 1.0 . 1.95 16 16 A 74 GLU O A 78 PHE N 1.0 . 2.95 17 17 A 79 GLN H A 75 ALA O 1.0 . 1.95 18 18 A 75 ALA O A 79 GLN N 1.0 . 2.95 19 19 A 80 LYS H A 76 GLU O 1.0 . 1.95 20 20 A 76 GLU O A 80 LYS N 1.0 . 2.95 21 21 A 99 LEU H A 95 LYS O 1.0 . 1.95 22 22 A 95 LYS O A 99 LEU N 1.0 . 2.95 23 23 A 100 GLU H A 96 THR O 1.0 . 1.95 24 24 A 96 THR O A 100 GLU N 1.0 . 2.95 25 25 A 101 ARG H A 97 THR O 1.0 . 1.95 26 26 A 97 THR O A 101 ARG N 1.0 . 2.95 27 27 A 102 LYS H A 98 TYR O 1.0 . 1.95 28 28 A 98 TYR O A 102 LYS N 1.0 . 2.95 29 29 A 103 ALA H A 99 LEU O 1.0 . 1.95 30 30 A 99 LEU O A 103 ALA N 1.0 . 2.95 31 31 A 104 GLU H A 100 GLU O 1.0 . 1.95 32 32 A 100 GLU O A 104 GLU N 1.0 . 2.95 33 33 A 105 GLU H A 101 ARG O 1.0 . 1.95 34 34 A 101 ARG O A 105 GLU N 1.0 . 2.95 35 35 A 106 ILE H A 102 LYS O 1.0 . 1.95 36 36 A 102 LYS O A 106 ILE N 1.0 . 2.95 37 37 A 67 VAL H A 17 VAL O 1.0 . 1.95 38 38 A 17 VAL O A 67 VAL N 1.0 . 2.95 39 39 A 17 VAL H A 67 VAL O 1.0 . 1.95 40 40 A 67 VAL O A 17 VAL N 1.0 . 2.95 41 41 A 18 TYR H A 93 GLU O 1.0 . 2.15 42 42 A 18 TYR H A 93 GLU O 1.0 . 3.15 43 43 A 19 VAL H A 65 VAL O 1.0 . 1.95 44 44 A 65 VAL O A 19 VAL N 1.0 . 2.95 45 45 A 65 VAL H A 19 VAL O 1.0 . 1.95 46 46 A 19 VAL O A 65 VAL N 1.0 . 2.95 47 47 A 20 LYS H A 91 THR O 1.0 . 1.95 48 48 A 91 THR O A 20 LYS N 1.0 . 2.95 49 49 A 66 PHE H A 45 TRP O 1.0 . 1.95 50 50 A 45 TRP O A 66 PHE N 1.0 . 2.95 51 51 A 45 TRP H A 66 PHE O 1.0 . 1.95 52 52 A 66 PHE O A 45 TRP N 1.0 . 2.95 53 53 A 68 VAL H A 43 ALA O 1.0 . 1.95 54 54 A 43 ALA O A 68 VAL N 1.0 . 2.95 55 55 A 32 THR H A 28 LEU O 1.0 . 2.05 56 56 A 28 LEU O A 32 THR N 1.0 . 3.05 57 57 A 33 GLU H A 29 GLU O 1.0 . 2.05 58 58 A 29 GLU O A 33 GLU N 1.0 . 3.05 59 59 A 34 PHE H A 30 GLN O 1.0 . 2.05 60 60 A 30 GLN O A 34 PHE N 1.0 . 3.05 61 61 A 35 PHE H A 31 LEU O 1.0 . 2.05 62 62 A 31 LEU O A 35 PHE N 1.0 . 3.05 63 63 A 36 SER H A 32 THR O 1.0 . 2.05 64 64 A 32 THR O A 36 SER N 1.0 . 3.05 65 65 A 76 GLU H A 72 SER O 1.0 . 2.05 66 66 A 72 SER O A 76 GLU N 1.0 . 3.05 67 67 A 77 ALA H A 73 GLU O 1.0 . 2.05 68 68 A 73 GLU O A 77 ALA N 1.0 . 3.05 69 69 A 78 PHE H A 74 GLU O 1.0 . 2.05 70 70 A 74 GLU O A 78 PHE N 1.0 . 3.05 71 71 A 79 GLN H A 75 ALA O 1.0 . 2.05 72 72 A 75 ALA O A 79 GLN N 1.0 . 3.05 73 73 A 80 LYS H A 76 GLU O 1.0 . 2.05 74 74 A 76 GLU O A 80 LYS N 1.0 . 3.05 75 75 A 99 LEU H A 95 LYS O 1.0 . 2.05 76 76 A 95 LYS O A 99 LEU N 1.0 . 3.05 77 77 A 100 GLU H A 96 THR O 1.0 . 2.05 78 78 A 96 THR O A 100 GLU N 1.0 . 3.05 79 79 A 101 ARG H A 97 THR O 1.0 . 2.05 80 80 A 97 THR O A 101 ARG N 1.0 . 3.05 81 81 A 102 LYS H A 98 TYR O 1.0 . 2.05 82 82 A 98 TYR O A 102 LYS N 1.0 . 3.05 83 83 A 103 ALA H A 99 LEU O 1.0 . 2.05 84 84 A 99 LEU O A 103 ALA N 1.0 . 3.05 85 85 A 104 GLU H A 100 GLU O 1.0 . 2.05 86 86 A 100 GLU O A 104 GLU N 1.0 . 3.05 87 87 A 105 GLU H A 101 ARG O 1.0 . 2.05 88 88 A 101 ARG O A 105 GLU N 1.0 . 3.05 89 89 A 106 ILE H A 102 LYS O 1.0 . 2.05 90 90 A 102 LYS O A 106 ILE N 1.0 . 3.05 91 91 A 67 VAL H A 17 VAL O 1.0 . 2.05 92 92 A 17 VAL O A 67 VAL N 1.0 . 3.05 93 93 A 17 VAL H A 67 VAL O 1.0 . 2.05 94 94 A 67 VAL O A 17 VAL N 1.0 . 3.05 95 95 A 93 GLU H A 18 TYR O 1.0 . 2.05 96 96 A 18 TYR O A 93 GLU N 1.0 . 3.05 97 97 A 19 VAL H A 65 VAL O 1.0 . 2.05 98 98 A 65 VAL O A 19 VAL N 1.0 . 3.05 99 99 A 65 VAL H A 19 VAL O 1.0 . 2.05 100 100 A 19 VAL O A 65 VAL N 1.0 . 3.05 101 101 A 20 LYS H A 91 THR O 1.0 . 2.05 102 102 A 91 THR O A 20 LYS N 1.0 . 3.05 103 103 A 66 PHE H A 45 TRP O 1.0 . 2.05 104 104 A 45 TRP O A 66 PHE N 1.0 . 3.05 105 105 A 45 TRP H A 66 PHE O 1.0 . 2.05 106 106 A 66 PHE O A 45 TRP N 1.0 . 3.05 107 107 A 68 VAL H A 43 ALA O 1.0 . 2.05 108 108 A 43 ALA O A 68 VAL N 1.0 . 3.05 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _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 12 THR N A 12 THR CA A 12 THR C A 13 ASP N 1.0 130.5 143.5 PSI 2 2 A 12 THR C A 13 ASP N A 13 ASP CA A 13 ASP C 1.0 -136.5 -122.5 PHI 3 3 A 13 ASP N A 13 ASP CA A 13 ASP C A 14 HIS N 1.0 126.6 138.6 PSI 4 4 A 13 ASP C A 14 HIS N A 14 HIS CA A 14 HIS C 1.0 -133.8 -120.8 PHI 5 5 A 14 HIS N A 14 HIS CA A 14 HIS C A 15 GLN N 1.0 126.3 136.3 PSI 6 6 A 14 HIS C A 15 GLN N A 15 GLN CA A 15 GLN C 1.0 -133.1 -120.1 PHI 7 7 A 15 GLN N A 15 GLN CA A 15 GLN C A 16 THR N 1.0 122.8 134.8 PSI 8 8 A 15 GLN C A 16 THR N A 16 THR CA A 16 THR C 1.0 -155.4 -145.5 PHI 9 9 A 16 THR N A 16 THR CA A 16 THR C A 17 VAL N 1.0 120.6 135.5 PSI 10 10 A 16 THR C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -119.3 -108.0 PHI 11 11 A 17 VAL N A 17 VAL CA A 17 VAL C A 18 TYR N 1.0 145.9 156.9 PSI 12 12 A 17 VAL C A 18 TYR N A 18 TYR CA A 18 TYR C 1.0 -120.7 -110.6 PHI 13 13 A 18 TYR N A 18 TYR CA A 18 TYR C A 19 VAL N 1.0 124.4 135.1 PSI 14 14 A 18 TYR C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -133.5 -120.9 PHI 15 15 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 LYS N 1.0 140.9 151.6 PSI 16 16 A 19 VAL C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -58.8 -48.4 PHI 17 17 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 PRO N 1.0 150.0 162.9 PSI 18 18 A 21 PRO N A 21 PRO CA A 21 PRO C A 22 VAL N 1.0 162.6 173.2 PSI 19 19 A 21 PRO C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -108.6 -98.6 PHI 20 20 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 PRO N 1.0 148.0 160.0 PSI 21 21 A 23 PRO N A 23 PRO CA A 23 PRO C A 24 PRO N 1.0 162.6 173.6 PSI 22 22 A 24 PRO N A 24 PRO CA A 24 PRO C A 25 THR N 1.0 -24.1 -12.1 PSI 23 23 A 24 PRO C A 25 THR N A 25 THR CA A 25 THR C 1.0 -93.3 -82.3 PHI 24 24 A 25 THR N A 25 THR CA A 25 THR C A 26 ALA N 1.0 -46.6 -34.6 PSI 25 25 A 25 THR C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -68.6 -56.6 PHI 26 26 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 THR N 1.0 105.0 118.0 PSI 27 27 A 26 ALA C A 27 THR N A 27 THR CA A 27 THR C 1.0 -92.5 -83.5 PHI 28 28 A 27 THR N A 27 THR CA A 27 THR C A 28 LEU N 1.0 170.3 180.0 PSI 29 29 A 27 THR C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -72.6 -60.6 PHI 30 30 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 GLU N 1.0 -53.4 -40.4 PSI 31 31 A 28 LEU C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -72.1 -60.1 PHI 32 32 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 GLN N 1.0 -42.2 -30.2 PSI 33 33 A 29 GLU C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -75.4 -65.3 PHI 34 34 A 30 GLN N A 30 GLN CA A 30 GLN C A 31 LEU N 1.0 -51.2 -40.2 PSI 35 35 A 30 GLN C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -67.7 -55.7 PHI 36 36 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 THR N 1.0 -60.8 -48.8 PSI 37 37 A 31 LEU C A 32 THR N A 32 THR CA A 32 THR C 1.0 -63.4 -51.3 PHI 38 38 A 32 THR N A 32 THR CA A 32 THR C A 33 GLU N 1.0 -53.6 -40.6 PSI 39 39 A 32 THR C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -61.3 -50.3 PHI 40 40 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 PHE N 1.0 -57.4 -46.4 PSI 41 41 A 33 GLU C A 34 PHE N A 34 PHE CA A 34 PHE C 1.0 -65.1 -51.6 PHI 42 42 A 34 PHE N A 34 PHE CA A 34 PHE C A 35 PHE N 1.0 -45.4 -35.5 PSI 43 43 A 34 PHE C A 35 PHE N A 35 PHE CA A 35 PHE C 1.0 -63.0 -52.7 PHI 44 44 A 35 PHE N A 35 PHE CA A 35 PHE C A 36 SER N 1.0 -63.2 -52.5 PSI 45 45 A 35 PHE C A 36 SER N A 36 SER CA A 36 SER C 1.0 -66.9 -55.3 PHI 46 46 A 36 SER N A 36 SER CA A 36 SER C A 37 LYS N 1.0 -40.6 -30.2 PSI 47 47 A 36 SER C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -65.4 -55.3 PHI 48 48 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 HIS N 1.0 -37.0 -26.0 PSI 49 49 A 37 LYS C A 38 HIS N A 38 HIS CA A 38 HIS C 1.0 -146.8 -136.8 PHI 50 50 A 38 HIS N A 38 HIS CA A 38 HIS C A 39 GLY N 1.0 110.4 118.4 PSI 51 51 A 38 HIS C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 95.3 105.3 PHI 52 52 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 THR N 1.0 132.8 143.8 PSI 53 53 A 39 GLY C A 40 THR N A 40 THR CA A 40 THR C 1.0 -118.3 -108.9 PHI 54 54 A 40 THR N A 40 THR CA A 40 THR C A 41 VAL N 1.0 112.8 123.0 PSI 55 55 A 40 THR C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -124.0 -112.0 PHI 56 56 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 GLN N 1.0 138.1 149.3 PSI 57 57 A 41 VAL C A 42 GLN N A 42 GLN CA A 42 GLN C 1.0 -81.2 -65.2 PHI 58 58 A 42 GLN N A 42 GLN CA A 42 GLN C A 43 ALA N 1.0 -61.5 -51.5 PSI 59 59 A 42 GLN C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -158.6 -149.6 PHI 60 60 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 VAL N 1.0 161.4 170.4 PSI 61 61 A 43 ALA C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -149.1 -140.8 PHI 62 62 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 TRP N 1.0 142.4 152.1 PSI 63 63 A 44 VAL C A 45 TRP N A 45 TRP CA A 45 TRP C 1.0 -168.1 -158.9 PHI 64 64 A 45 TRP N A 45 TRP CA A 45 TRP C A 46 ARG N 1.0 162.3 172.8 PSI 65 65 A 45 TRP C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -162.0 -155.0 PHI 66 66 A 46 ARG N A 46 ARG CA A 46 ARG C A 47 ARG N 1.0 140.6 150.6 PSI 67 67 A 46 ARG C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -150.9 -138.3 PHI 68 68 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 TYR N 1.0 152.9 163.9 PSI 69 69 A 47 ARG C A 48 TYR N A 48 TYR CA A 48 TYR C 1.0 -148.2 -138.2 PHI 70 70 A 48 TYR N A 48 TYR CA A 48 TYR C A 49 PHE N 1.0 118.0 128.0 PSI 71 71 A 48 TYR C A 49 PHE N A 49 PHE CA A 49 PHE C 1.0 -92.6 -80.8 PHI 72 72 A 49 PHE N A 49 PHE CA A 49 PHE C A 50 ALA N 1.0 113.3 124.0 PSI 73 73 A 49 PHE C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -86.3 -76.3 PHI 74 74 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 GLY N 1.0 -37.5 -27.5 PSI 75 75 A 50 ALA C A 51 GLY N A 51 GLY CA A 51 GLY C 1.0 79.3 90.3 PHI 76 76 A 51 GLY N A 51 GLY CA A 51 GLY C A 52 LYS N 1.0 106.0 116.5 PSI 77 77 A 51 GLY C A 52 LYS N A 52 LYS CA A 52 LYS C 1.0 -145.8 -135.8 PHI 78 78 A 52 LYS N A 52 LYS CA A 52 LYS C A 53 LYS N 1.0 47.3 58.3 PSI 79 79 A 52 LYS C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -155.4 -146.4 PHI 80 80 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 ASP N 1.0 170.5 180.0 PSI 81 81 A 53 LYS C A 54 ASP N A 54 ASP CA A 54 ASP C 1.0 -105.7 -96.7 PHI 82 82 A 54 ASP N A 54 ASP CA A 54 ASP C A 55 ALA N 1.0 22.0 30.0 PSI 83 83 A 54 ASP C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -118.7 -106.7 PHI 84 84 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 PRO N 1.0 155.5 165.5 PSI 85 85 A 56 PRO N A 56 PRO CA A 56 PRO C A 57 PRO N 1.0 162.5 172.5 PSI 86 86 A 57 PRO N A 57 PRO CA A 57 PRO C A 58 GLU N 1.0 95.5 108.5 PSI 87 87 A 57 PRO C A 58 GLU N A 58 GLU CA A 58 GLU C 1.0 -100.3 -89.3 PHI 88 88 A 58 GLU N A 58 GLU CA A 58 GLU C A 59 SER N 1.0 -47.5 -36.5 PSI 89 89 A 58 GLU C A 59 SER N A 59 SER CA A 59 SER C 1.0 -91.3 -80.3 PHI 90 90 A 59 SER N A 59 SER CA A 59 SER C A 60 ARG N 1.0 164.5 174.5 PSI 91 91 A 59 SER C A 60 ARG N A 60 ARG CA A 60 ARG C 1.0 -114.3 -102.3 PHI 92 92 A 60 ARG N A 60 ARG CA A 60 ARG C A 61 THR N 1.0 110.5 124.5 PSI 93 93 A 60 ARG C A 61 THR N A 61 THR CA A 61 THR C 1.0 -124.3 -112.3 PHI 94 94 A 61 THR N A 61 THR CA A 61 THR C A 62 LYS N 1.0 95.5 107.5 PSI 95 95 A 61 THR C A 62 LYS N A 62 LYS CA A 62 LYS C 1.0 -140.1 -130.1 PHI 96 96 A 62 LYS N A 62 LYS CA A 62 LYS C A 63 PRO N 1.0 151.0 163.0 PSI 97 97 A 63 PRO C A 64 SER N A 64 SER CA A 64 SER C 1.0 -60.3 -50.3 PHI 98 98 A 64 SER N A 64 SER CA A 64 SER C A 65 VAL N 1.0 148.5 158.5 PSI 99 99 A 64 SER C A 65 VAL N A 65 VAL CA A 65 VAL C 1.0 -106.7 -97.2 PHI 100 100 A 65 VAL N A 65 VAL CA A 65 VAL C A 66 PHE N 1.0 145.9 155.2 PSI 101 101 A 65 VAL C A 66 PHE N A 66 PHE CA A 66 PHE C 1.0 -112.3 -102.3 PHI 102 102 A 66 PHE N A 66 PHE CA A 66 PHE C A 67 VAL N 1.0 121.7 131.6 PSI 103 103 A 66 PHE C A 67 VAL N A 67 VAL CA A 67 VAL C 1.0 -130.3 -120.6 PHI 104 104 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 VAL N 1.0 134.2 145.9 PSI 105 105 A 67 VAL C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -125.1 -112.5 PHI 106 106 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 PHE N 1.0 113.1 124.0 PSI 107 107 A 68 VAL C A 69 PHE N A 69 PHE CA A 69 PHE C 1.0 -84.3 -74.3 PHI 108 108 A 69 PHE N A 69 PHE CA A 69 PHE C A 70 ASN N 1.0 138.5 150.0 PSI 109 109 A 69 PHE C A 70 ASN N A 70 ASN CA A 70 ASN C 1.0 -88.3 -76.3 PHI 110 110 A 70 ASN N A 70 ASN CA A 70 ASN C A 71 SER N 1.0 -50.5 -38.5 PSI 111 111 A 70 ASN C A 71 SER N A 71 SER CA A 71 SER C 1.0 -90.3 -78.3 PHI 112 112 A 71 SER N A 71 SER CA A 71 SER C A 72 SER N 1.0 122.5 133.5 PSI 113 113 A 71 SER C A 72 SER N A 72 SER CA A 72 SER C 1.0 -63.3 -53.3 PHI 114 114 A 72 SER N A 72 SER CA A 72 SER C A 73 GLU N 1.0 -58.5 -48.5 PSI 115 115 A 72 SER C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -60.3 -47.3 PHI 116 116 A 73 GLU N A 73 GLU CA A 73 GLU C A 74 GLU N 1.0 -60.5 -50.5 PSI 117 117 A 73 GLU C A 74 GLU N A 74 GLU CA A 74 GLU C 1.0 -66.8 -54.8 PHI 118 118 A 74 GLU N A 74 GLU CA A 74 GLU C A 75 ALA N 1.0 -37.0 -26.9 PSI 119 119 A 74 GLU C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -67.3 -55.3 PHI 120 120 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 GLU N 1.0 -57.5 -47.5 PSI 121 121 A 75 ALA C A 76 GLU N A 76 GLU CA A 76 GLU C 1.0 -70.3 -58.3 PHI 122 122 A 76 GLU N A 76 GLU CA A 76 GLU C A 77 ALA N 1.0 -50.5 -38.5 PSI 123 123 A 76 GLU C A 77 ALA N A 77 ALA CA A 77 ALA C 1.0 -62.3 -50.3 PHI 124 124 A 77 ALA N A 77 ALA CA A 77 ALA C A 78 PHE N 1.0 -53.5 -43.5 PSI 125 125 A 77 ALA C A 78 PHE N A 78 PHE CA A 78 PHE C 1.0 -73.1 -61.8 PHI 126 126 A 78 PHE N A 78 PHE CA A 78 PHE C A 79 GLN N 1.0 -42.3 -30.4 PSI 127 127 A 78 PHE C A 79 GLN N A 79 GLN CA A 79 GLN C 1.0 -64.3 -52.3 PHI 128 128 A 79 GLN N A 79 GLN CA A 79 GLN C A 80 LYS N 1.0 -54.5 -41.5 PSI 129 129 A 79 GLN C A 80 LYS N A 80 LYS CA A 80 LYS C 1.0 -60.3 -49.3 PHI 130 130 A 80 LYS N A 80 LYS CA A 80 LYS C A 81 ALA N 1.0 -72.5 -61.5 PSI 131 131 A 80 LYS N A 80 LYS CA A 80 LYS C A 81 ALA N 1.0 -68.5 -58.5 PSI 132 132 A 80 LYS C A 81 ALA N A 81 ALA CA A 81 ALA C 1.0 -125.3 -115.3 PHI 133 133 A 81 ALA N A 81 ALA CA A 81 ALA C A 82 PRO N 1.0 153.5 165.5 PSI 134 134 A 84 MET N A 84 MET CA A 84 MET C A 85 TYR N 1.0 80.5 94.5 PSI 135 135 A 84 MET C A 85 TYR N A 85 TYR CA A 85 TYR C 1.0 -130.0 -118.6 PHI 136 136 A 85 TYR N A 85 TYR CA A 85 TYR C A 86 ASP N 1.0 118.9 128.4 PSI 137 137 A 85 TYR C A 86 ASP N A 86 ASP CA A 86 ASP C 1.0 -59.3 -49.3 PHI 138 138 A 86 ASP N A 86 ASP CA A 86 ASP C A 87 ASP N 1.0 -57.5 -44.5 PSI 139 139 A 86 ASP C A 87 ASP N A 87 ASP CA A 87 ASP C 1.0 -62.3 -50.3 PHI 140 140 A 87 ASP N A 87 ASP CA A 87 ASP C A 88 VAL N 1.0 -66.5 -54.5 PSI 141 141 A 87 ASP C A 88 VAL N A 88 VAL CA A 88 VAL C 1.0 -132.0 -120.4 PHI 142 142 A 88 VAL N A 88 VAL CA A 88 VAL C A 89 GLN N 1.0 127.6 138.5 PSI 143 143 A 88 VAL C A 89 GLN N A 89 GLN CA A 89 GLN C 1.0 -74.2 -63.4 PHI 144 144 A 89 GLN N A 89 GLN CA A 89 GLN C A 90 LEU N 1.0 116.1 128.5 PSI 145 145 A 89 GLN C A 90 LEU N A 90 LEU CA A 90 LEU C 1.0 -101.4 -96.1 PHI 146 146 A 90 LEU N A 90 LEU CA A 90 LEU C A 91 THR N 1.0 132.9 140.3 PSI 147 147 A 90 LEU C A 91 THR N A 91 THR CA A 91 THR C 1.0 -128.3 -119.3 PHI 148 148 A 91 THR N A 91 THR CA A 91 THR C A 92 ALA N 1.0 102.5 112.5 PSI 149 149 A 91 THR C A 92 ALA N A 92 ALA CA A 92 ALA C 1.0 -118.8 -108.2 PHI 150 150 A 92 ALA N A 92 ALA CA A 92 ALA C A 93 GLU N 1.0 136.6 145.0 PSI 151 151 A 92 ALA C A 93 GLU N A 93 GLU CA A 93 GLU C 1.0 -120.7 -110.8 PHI 152 152 A 93 GLU N A 93 GLU CA A 93 GLU C A 94 MET N 1.0 158.9 167.9 PSI 153 153 A 93 GLU C A 94 MET N A 94 MET CA A 94 MET C 1.0 -103.9 -93.2 PHI 154 154 A 94 MET N A 94 MET CA A 94 MET C A 95 LYS N 1.0 151.2 160.2 PSI 155 155 A 94 MET C A 95 LYS N A 95 LYS CA A 95 LYS C 1.0 -67.9 -58.1 PHI 156 156 A 95 LYS N A 95 LYS CA A 95 LYS C A 96 THR N 1.0 -44.3 -34.5 PSI 157 157 A 95 LYS C A 96 THR N A 96 THR CA A 96 THR C 1.0 -64.3 -55.3 PHI 158 158 A 96 THR N A 96 THR CA A 96 THR C A 97 THR N 1.0 -54.5 -44.5 PSI 159 159 A 96 THR C A 97 THR N A 97 THR CA A 97 THR C 1.0 -58.3 -46.3 PHI 160 160 A 97 THR N A 97 THR CA A 97 THR C A 98 TYR N 1.0 -60.5 -48.5 PSI 161 161 A 97 THR C A 98 TYR N A 98 TYR CA A 98 TYR C 1.0 -62.3 -50.3 PHI 162 162 A 98 TYR N A 98 TYR CA A 98 TYR C A 99 LEU N 1.0 -55.5 -44.5 PSI 163 163 A 98 TYR C A 99 LEU N A 99 LEU CA A 99 LEU C 1.0 -58.0 -46.0 PHI 164 164 A 99 LEU N A 99 LEU CA A 99 LEU C A 100 GLU N 1.0 -46.9 -35.8 PSI 165 165 A 99 LEU C A 100 GLU N A 100 GLU CA A 100 GLU C 1.0 -73.3 -62.3 PHI 166 166 A 100 GLU N A 100 GLU CA A 100 GLU C A 101 ARG N 1.0 -45.5 -34.5 PSI 167 167 A 100 GLU C A 101 ARG N A 101 ARG CA A 101 ARG C 1.0 -63.3 -52.3 PHI 168 168 A 101 ARG N A 101 ARG CA A 101 ARG C A 102 LYS N 1.0 -59.5 -49.5 PSI 169 169 A 101 ARG C A 102 LYS N A 102 LYS CA A 102 LYS C 1.0 -68.3 -56.3 PHI 170 170 A 102 LYS N A 102 LYS CA A 102 LYS C A 103 ALA N 1.0 -48.5 -37.5 PSI 171 171 A 102 LYS C A 103 ALA N A 103 ALA CA A 103 ALA C 1.0 -60.3 -50.3 PHI 172 172 A 103 ALA N A 103 ALA CA A 103 ALA C A 104 GLU N 1.0 -46.5 -37.5 PSI 173 173 A 103 ALA C A 104 GLU N A 104 GLU CA A 104 GLU C 1.0 -75.3 -66.3 PHI 174 174 A 104 GLU N A 104 GLU CA A 104 GLU C A 105 GLU N 1.0 -44.5 -32.5 PSI 175 175 A 104 GLU C A 105 GLU N A 105 GLU CA A 105 GLU C 1.0 -65.3 -56.3 PHI 176 176 A 105 GLU N A 105 GLU CA A 105 GLU C A 106 ILE N 1.0 -63.5 -50.5 PSI 177 177 A 105 GLU C A 106 ILE N A 106 ILE CA A 106 ILE C 1.0 -66.3 -54.3 PHI 178 178 A 106 ILE N A 106 ILE CA A 106 ILE C A 107 ALA N 1.0 -40.5 -32.5 PSI 179 179 A 106 ILE C A 107 ALA N A 107 ALA CA A 107 ALA C 1.0 -64.3 -53.3 PHI 180 180 A 107 ALA N A 107 ALA CA A 107 ALA C A 108 ALA N 1.0 -47.5 -37.5 PSI 181 181 A 107 ALA C A 108 ALA N A 108 ALA CA A 108 ALA C 1.0 -70.3 -60.3 PHI 182 182 A 108 ALA N A 108 ALA CA A 108 ALA C A 109 LYS N 1.0 -47.5 -38.5 PSI 183 183 A 108 ALA C A 109 LYS N A 109 LYS CA A 109 LYS C 1.0 -70.1 -60.9 PHI 184 184 A 109 LYS N A 109 LYS CA A 109 LYS C A 110 LYS N 1.0 -58.8 -50.1 PSI 185 185 A 109 LYS C A 110 LYS N A 110 LYS CA A 110 LYS C 1.0 -90.1 -78.0 PHI stop_ save_