data_nef_c18776_2mpu save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ALA middle . . 3 A 3 GLU middle . . 4 A 4 SER middle . . 5 A 5 ASP middle . . 6 A 6 GLY middle . false 7 A 7 ALA middle . . 8 A 8 GLU middle . . 9 A 9 TYR middle . . 10 A 10 ARG middle . . 11 A 11 CYS middle . . 12 A 12 PHE middle . . 13 A 13 VAL middle . . 14 A 14 GLY middle . false 15 A 15 SER middle . . 16 A 16 LEU middle . . 17 A 17 SER middle . . 18 A 18 TRP middle . . 19 A 19 ASN middle . . 20 A 20 THR middle . . 21 A 21 ASP middle . . 22 A 22 ASP middle . . 23 A 23 ARG middle . . 24 A 24 GLY middle . false 25 A 25 LEU middle . . 26 A 26 GLU middle . . 27 A 27 ALA middle . . 28 A 28 ALA middle . . 29 A 29 PHE middle . . 30 A 30 SER middle . . 31 A 31 SER middle . . 32 A 32 PHE middle . . 33 A 33 GLY middle . false 34 A 34 GLU middle . . 35 A 35 ILE middle . . 36 A 36 LEU middle . . 37 A 37 ASP middle . . 38 A 38 ALA middle . . 39 A 39 LYS middle . . 40 A 40 ILE middle . . 41 A 41 ILE middle . . 42 A 42 ASN middle . . 43 A 43 ASP middle . . 44 A 44 ARG middle . . 45 A 45 GLU middle . . 46 A 46 THR middle . . 47 A 47 GLY middle . false 48 A 48 ARG middle . . 49 A 49 SER middle . . 50 A 50 ARG middle . . 51 A 51 GLY middle . false 52 A 52 PHE middle . . 53 A 53 GLY middle . false 54 A 54 PHE middle . . 55 A 55 VAL middle . . 56 A 56 SER middle . . 57 A 57 PHE middle . . 58 A 58 SER middle . . 59 A 59 ASN middle . . 60 A 60 GLU middle . . 61 A 61 GLN middle . . 62 A 62 ALA middle . . 63 A 63 MET middle . . 64 A 64 GLN middle . . 65 A 65 ASP middle . . 66 A 66 ALA middle . . 67 A 67 ILE middle . . 68 A 68 GLU middle . . 69 A 69 GLY middle . false 70 A 70 MET middle . . 71 A 71 ASN middle . . 72 A 72 GLY middle . false 73 A 73 LYS middle . . 74 A 74 GLU middle . . 75 A 75 LEU middle . . 76 A 76 ASP middle . . 77 A 77 GLY middle . false 78 A 78 ARG middle . . 79 A 79 SER middle . . 80 A 80 ILE middle . . 81 A 81 VAL middle . . 82 A 82 VAL middle . . 83 A 83 ASN middle . . 84 A 84 GLU middle . . 85 A 85 ALA middle . . 86 A 86 GLN middle . . 87 A 87 SER middle . . 88 A 88 ARG middle . . 89 A 89 GLY middle . false 90 A 90 TYR middle . . 91 A 91 GLY middle . false 92 A 92 GLY end . false stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H1 H 1 8.293 0.029 A 1 MET HA H 1 4.418 0.012 A 1 MET HBy H 1 2.595 0.024 A 1 MET HBx H 1 2.08 0.045 A 1 MET CA C 13 56.075 0.049 A 1 MET CB C 13 33.006 0.015 A 1 MET CG C 13 30.53 0.001 A 1 MET N N 15 120.563 0.45 A 2 ALA H H 1 8.209 0.032 A 2 ALA HA H 1 4.325 0.041 A 2 ALA HB% H 1 1.387 0.007 A 2 ALA CA C 13 52.915 0.034 A 2 ALA CB C 13 19.648 0.099 A 2 ALA N N 15 125.058 0.025 A 3 GLU H H 1 8.347 0.022 A 3 GLU HA H 1 4.279 0.02 A 3 GLU HBy H 1 2.04 0.041 A 3 GLU HBx H 1 1.951 0.013 A 3 GLU HGx H 1 2.289 0.011 A 3 GLU HGy H 1 2.722 0.045 A 3 GLU CA C 13 57.012 0.046 A 3 GLU CB C 13 30.625 0.096 A 3 GLU CG C 13 36.742 0.04 A 3 GLU N N 15 119.828 0.148 A 4 SER H H 1 8.269 0.011 A 4 SER HA H 1 4.476 0.012 A 4 SER HBx H 1 3.883 0.004 A 4 SER CA C 13 58.659 0.048 A 4 SER CB C 13 64.442 0.097 A 4 SER N N 15 116.523 0.031 A 5 ASP H H 1 8.388 0.031 A 5 ASP HA H 1 4.652 0.043 A 5 ASP HBy H 1 2.701 0.024 A 5 ASP HBx H 1 2.673 0.036 A 5 ASP CA C 13 54.882 0.062 A 5 ASP CB C 13 41.8 0.101 A 5 ASP N N 15 123.202 0.052 A 6 GLY H H 1 8.306 0.009 A 6 GLY HAx H 1 3.917 0.009 A 6 GLY CA C 13 45.66 0.066 A 6 GLY N N 15 109.503 0.038 A 7 ALA H H 1 8.005 0.01 A 7 ALA HA H 1 4.294 0.039 A 7 ALA HB% H 1 1.416 0.007 A 7 ALA CA C 13 52.479 0.08 A 7 ALA CB C 13 19.939 0.061 A 7 ALA N N 15 123.978 0.034 A 8 GLU H H 1 7.824 0.014 A 8 GLU HA H 1 4.271 0.03 A 8 GLU HBx H 1 1.7 0.041 A 8 GLU HGx H 1 2.022 0.035 A 8 GLU CA C 13 56.082 0.027 A 8 GLU CB C 13 32.359 0.018 A 8 GLU CG C 13 36.699 0.002 A 8 GLU N N 15 118.596 0.069 A 9 TYR H H 1 8.724 0.018 A 9 TYR HA H 1 4.838 0.014 A 9 TYR HBy H 1 3.254 0.009 A 9 TYR HBx H 1 2.867 0.038 A 9 TYR HDx H 1 6.956 0.038 A 9 TYR HEx H 1 6.949 0.038 A 9 TYR CA C 13 57.559 0.038 A 9 TYR CB C 13 38.143 0.024 A 9 TYR CD1 C 13 130.492 0 A 9 TYR CE1 C 13 117.506 0 A 9 TYR N N 15 124.224 0.006 A 10 ARG H H 1 8.487 0.021 A 10 ARG HA H 1 5.413 0.015 A 10 ARG HBx H 1 1.725 0.033 A 10 ARG HBy H 1 1.74 0.045 A 10 ARG HDx H 1 2.847 0.017 A 10 ARG HGy H 1 1.536 0.024 A 10 ARG HGx H 1 1.489 0.009 A 10 ARG CA C 13 55.543 0.047 A 10 ARG CB C 13 34.588 0.021 A 10 ARG CD C 13 44.115 0.45 A 10 ARG CG C 13 27.919 0.002 A 10 ARG N N 15 124.745 0.109 A 11 CYS H H 1 9.642 0.014 A 11 CYS HA H 1 5.21 0.013 A 11 CYS HBy H 1 2.757 0.016 A 11 CYS HBx H 1 2.721 0.031 A 11 CYS CA C 13 58.028 0.02 A 11 CYS CB C 13 30.04 0.065 A 11 CYS N N 15 121.772 0.006 A 12 PHE H H 1 9.164 0.015 A 12 PHE HA H 1 4.593 0.02 A 12 PHE HBx H 1 2.956 0.012 A 12 PHE HDx H 1 6.907 0.019 A 12 PHE CA C 13 57.954 0.089 A 12 PHE CB C 13 40.955 0.043 A 12 PHE CD1 C 13 130.555 0 A 12 PHE N N 15 126.076 0.022 A 13 VAL H H 1 7.807 0.007 A 13 VAL HA H 1 4.814 0.028 A 13 VAL HB H 1 1.393 0.017 A 13 VAL HGx% H 1 0.851 0.028 A 13 VAL HGy% H 1 0.446 0.014 A 13 VAL CA C 13 60.231 0.045 A 13 VAL CB C 13 33.092 0.047 A 13 VAL CGy C 13 23.631 0.001 A 13 VAL CGx C 13 21.539 0.001 A 13 VAL N N 15 127.398 0.039 A 14 GLY H H 1 9.233 0.013 A 14 GLY HAy H 1 4.751 0.021 A 14 GLY HAx H 1 3.597 0.009 A 14 GLY CA C 13 43.907 0.06 A 14 GLY N N 15 111.522 0.026 A 15 SER H H 1 8.442 0.01 A 15 SER HA H 1 4.502 0.02 A 15 SER HBx H 1 4.015 0.024 A 15 SER CA C 13 59.104 0.082 A 15 SER CB C 13 63.747 0.078 A 15 SER N N 15 111.478 0.033 A 16 LEU H H 1 7.644 0.007 A 16 LEU HA H 1 4.244 0.016 A 16 LEU HBy H 1 1.299 0.028 A 16 LEU HBx H 1 1.022 0.043 A 16 LEU HDx% H 1 0.721 0.039 A 16 LEU HDy% H 1 0.399 0.016 A 16 LEU HG H 1 1.312 0.001 A 16 LEU CA C 13 54.162 0.094 A 16 LEU CB C 13 44.621 0.095 A 16 LEU CDx C 13 24.309 0.45 A 16 LEU CDy C 13 26.947 0.45 A 16 LEU CG C 13 27.4 0.001 A 16 LEU N N 15 113.683 0.026 A 17 SER H H 1 9.612 0.014 A 17 SER HA H 1 4.029 0.028 A 17 SER HB2 H 1 3.787 0.001 A 17 SER CA C 13 58.193 0.046 A 17 SER CB C 13 64.042 0.11 A 17 SER N N 15 115.568 0.01 A 18 TRP H H 1 8.249 0.009 A 18 TRP HA H 1 4.475 0.027 A 18 TRP HBy H 1 3.386 0.023 A 18 TRP HBx H 1 3.354 0.045 A 18 TRP HE3 H 1 7.276 0 A 18 TRP CA C 13 58.698 0.08 A 18 TRP CB C 13 28.802 0.042 A 18 TRP CE3 C 13 120.228 0 A 18 TRP N N 15 127.421 0.014 A 19 ASN H H 1 7.976 0.008 A 19 ASN HA H 1 4.543 0.016 A 19 ASN HBx H 1 2.377 0.023 A 19 ASN CA C 13 53.76 0.09 A 19 ASN CB C 13 38.942 0.196 A 19 ASN N N 15 114.212 0.03 A 20 THR H H 1 7.329 0.011 A 20 THR HA H 1 4.218 0.021 A 20 THR HB H 1 3.858 0.013 A 20 THR HG2% H 1 1.228 0.016 A 20 THR CA C 13 64.982 0.031 A 20 THR CB C 13 68.935 0.122 A 20 THR N N 15 119.948 0.027 A 21 ASP H H 1 8.328 0.011 A 21 ASP HA H 1 4.935 0.014 A 21 ASP HBy H 1 3.227 0.018 A 21 ASP HBx H 1 2.727 0.036 A 21 ASP CA C 13 51.904 0.018 A 21 ASP CB C 13 43.007 0.038 A 21 ASP N N 15 128.939 0.005 A 22 ASP H H 1 8.21 0.019 A 22 ASP HA H 1 3.924 0.022 A 22 ASP HBy H 1 2.834 0.015 A 22 ASP HBx H 1 2.661 0.019 A 22 ASP CA C 13 58.551 0.074 A 22 ASP CB C 13 40.412 0.03 A 22 ASP N N 15 118.631 0.026 A 23 ARG H H 1 7.857 0.01 A 23 ARG HA H 1 4.141 0.023 A 23 ARG HBx H 1 1.929 0.026 A 23 ARG HDx H 1 3.286 0.06 A 23 ARG HDy H 1 3.497 0.045 A 23 ARG HGx H 1 1.757 0.001 A 23 ARG CA C 13 59.244 0.197 A 23 ARG CB C 13 29.942 0.056 A 23 ARG CD C 13 43.595 0.45 A 23 ARG CG C 13 27.347 0.45 A 23 ARG N N 15 118.64 0.064 A 24 GLY H H 1 8.618 0.012 A 24 GLY HAy H 1 4.253 0.035 A 24 GLY HAx H 1 3.902 0.022 A 24 GLY CA C 13 47.053 0.03 A 24 GLY N N 15 111.659 0.026 A 25 LEU H H 1 8.463 0.013 A 25 LEU HA H 1 4.061 0.009 A 25 LEU HBy H 1 1.727 0.027 A 25 LEU HBx H 1 1.377 0.018 A 25 LEU CA C 13 58.291 0.093 A 25 LEU CB C 13 42.648 0.054 A 25 LEU CDy C 13 25.517 0.45 A 25 LEU CDx C 13 24.811 0.45 A 25 LEU CG C 13 26.371 0.45 A 25 LEU N N 15 123.79 0.025 A 26 GLU H H 1 8.126 0.007 A 26 GLU HA H 1 3.622 0.013 A 26 GLU HBy H 1 2.142 0.028 A 26 GLU HBx H 1 2.062 0.03 A 26 GLU HGy H 1 2.216 0.037 A 26 GLU HGx H 1 1.727 0.029 A 26 GLU CA C 13 60.812 0.107 A 26 GLU CB C 13 29.956 0.04 A 26 GLU CG C 13 36.709 0.001 A 26 GLU N N 15 118.156 0.025 A 27 ALA H H 1 8.339 0.014 A 27 ALA HA H 1 4.221 0.031 A 27 ALA HB1 H 1 1.311 0.043 A 27 ALA HB2 H 1 1.562 0.045 A 27 ALA HB3 H 1 1.562 0.045 A 27 ALA CA C 13 55.556 0.05 A 27 ALA CB C 13 18.536 0.032 A 27 ALA N N 15 119.408 0.128 A 28 ALA H H 1 7.836 0.035 A 28 ALA HA H 1 4.229 0.021 A 28 ALA HB% H 1 1.547 0.015 A 28 ALA CA C 13 54.463 0.04 A 28 ALA CB C 13 19.463 0.034 A 28 ALA N N 15 118.729 0.172 A 29 PHE H H 1 7.848 0.006 A 29 PHE HA H 1 4.854 0.031 A 29 PHE HBy H 1 3.618 0.018 A 29 PHE HBx H 1 2.975 0.015 A 29 PHE CA C 13 60.245 0.044 A 29 PHE CB C 13 41.453 0.024 A 29 PHE N N 15 114.266 0.027 A 30 SER H H 1 8.094 0.021 A 30 SER HA H 1 4.462 0.02 A 30 SER HBy H 1 4.201 0.019 A 30 SER HBx H 1 4.133 0.021 A 30 SER CA C 13 62.098 0.165 A 30 SER CB C 13 63.879 0.064 A 30 SER N N 15 116.824 0.03 A 31 SER H H 1 8.079 0.018 A 31 SER HA H 1 4.121 0.02 A 31 SER HBy H 1 3.464 0.02 A 31 SER HBx H 1 3.413 0.035 A 31 SER CA C 13 60.801 0.055 A 31 SER CB C 13 62.904 0.065 A 31 SER N N 15 115.222 0.032 A 32 PHE H H 1 7.567 0.006 A 32 PHE HA H 1 4.359 0.013 A 32 PHE HBy H 1 3.317 0.016 A 32 PHE HBx H 1 2.939 0.016 A 32 PHE CA C 13 60.25 0.031 A 32 PHE CB C 13 39.814 0.044 A 32 PHE N N 15 117.764 0.097 A 33 GLY H H 1 7.429 0.023 A 33 GLY HAy H 1 4.351 0.019 A 33 GLY HAx H 1 3.963 0.01 A 33 GLY CA C 13 45.136 0.033 A 33 GLY N N 15 104.28 0.036 A 34 GLU H H 1 8.321 0.01 A 34 GLU HA H 1 4.234 0.001 A 34 GLU HBy H 1 2.075 0.014 A 34 GLU HBx H 1 2.008 0.045 A 34 GLU HGx H 1 2.324 0.045 A 34 GLU CA C 13 57.543 0.054 A 34 GLU CB C 13 30.356 0.044 A 34 GLU CG C 13 36.36 0.45 A 34 GLU N N 15 119.085 0.223 A 35 ILE H H 1 8.594 0.012 A 35 ILE HA H 1 4.152 0.016 A 35 ILE HB H 1 1.776 0.01 A 35 ILE HG2% H 1 0.647 0.017 A 35 ILE CA C 13 60.332 0.104 A 35 ILE CB C 13 39.124 0.089 A 35 ILE CD1 C 13 14.822 0.003 A 35 ILE CG1 C 13 17.981 0.45 A 35 ILE CG2 C 13 18.46 0.001 A 35 ILE N N 15 128.103 0.021 A 36 LEU H H 1 8.832 0.016 A 36 LEU HA H 1 4.284 0.016 A 36 LEU HBx H 1 1.423 0.023 A 36 LEU HDx% H 1 0.821 0.016 A 36 LEU HG H 1 1.52 0.001 A 36 LEU CA C 13 56.076 0.039 A 36 LEU CB C 13 42.561 0.103 A 36 LEU CDy C 13 26.324 0.45 A 36 LEU CDx C 13 22.684 0.45 A 36 LEU CG C 13 27.939 0.45 A 36 LEU N N 15 128.533 0.067 A 37 ASP H H 1 7.197 0.007 A 37 ASP HA H 1 4.637 0.015 A 37 ASP HBy H 1 2.668 0.024 A 37 ASP HBx H 1 2.311 0.013 A 37 ASP CA C 13 54.51 0.044 A 37 ASP CB C 13 44.569 0.023 A 37 ASP N N 15 115.897 0.025 A 38 ALA H H 1 8.089 0.008 A 38 ALA HA H 1 4.985 0.017 A 38 ALA HB% H 1 1.168 0.021 A 38 ALA CA C 13 51.871 0.003 A 38 ALA CB C 13 21.066 0.04 A 38 ALA N N 15 126.192 0.005 A 39 LYS H H 1 8.351 0.015 A 39 LYS HA H 1 4.671 0.013 A 39 LYS HBy H 1 1.647 0.013 A 39 LYS HBx H 1 1.56 0.004 A 39 LYS HDy H 1 1.719 0.007 A 39 LYS HDx H 1 1.298 0.014 A 39 LYS HEx H 1 3.182 0.091 A 39 LYS HGx H 1 1.316 0.001 A 39 LYS HGy H 1 1.382 0.014 A 39 LYS CA C 13 54.788 0.134 A 39 LYS CB C 13 36.857 0.06 A 39 LYS CD C 13 29.413 0.026 A 39 LYS CE C 13 42.438 0.45 A 39 LYS CG C 13 24.26 0.45 A 39 LYS N N 15 120.633 0.04 A 40 ILE H H 1 8.415 0.013 A 40 ILE HA H 1 4.052 0.029 A 40 ILE HB H 1 1.833 0.016 A 40 ILE HG1x H 1 1.244 0.02 A 40 ILE HG1y H 1 1.268 0.045 A 40 ILE HG2% H 1 0.8112 0.001 A 40 ILE CA C 13 58.717 0.046 A 40 ILE CB C 13 38.168 0.062 A 40 ILE CD1 C 13 12.385 0.45 A 40 ILE CG1 C 13 27.338 0.45 A 40 ILE CG2 C 13 17.956 0.45 A 40 ILE N N 15 123.563 0.065 A 41 ILE H H 1 8.322 0.009 A 41 ILE HA H 1 4.034 0.017 A 41 ILE HB H 1 1.012 0.012 A 41 ILE HG12 H 1 0.776 0.007 A 41 ILE HG13 H 1 0.754 0.045 A 41 ILE HG2% H 1 1.385 0.001 A 41 ILE CA C 13 58.688 0.223 A 41 ILE CB C 13 34.407 0.092 A 41 ILE CG1 C 13 27.827 0.45 A 41 ILE CG2 C 13 18.321 0.001 A 41 ILE N N 15 127.213 0.025 A 42 ASN H H 1 8.225 0.01 A 42 ASN HA H 1 5.136 0.009 A 42 ASN HBy H 1 2.408 0.011 A 42 ASN HBx H 1 2.148 0.017 A 42 ASN CA C 13 51.862 0.033 A 42 ASN CB C 13 41.421 0.047 A 42 ASN N N 15 124.306 0.005 A 43 ASP H H 1 8.956 0.011 A 43 ASP HA H 1 4.513 0.016 A 43 ASP HBy H 1 3.013 0.016 A 43 ASP HBx H 1 2.512 0.03 A 43 ASP CA C 13 54.558 0.061 A 43 ASP CB C 13 43.373 0.068 A 43 ASP N N 15 122.737 0.023 A 44 ARG H H 1 9.01 0.017 A 44 ARG HA H 1 4.045 0.014 A 44 ARG HBx H 1 1.929 0.015 A 44 ARG HDx H 1 3.266 0.018 A 44 ARG HGx H 1 1.745 0.009 A 44 ARG CA C 13 59.119 0.093 A 44 ARG CB C 13 30.541 0.109 A 44 ARG CD C 13 43.589 0.002 A 44 ARG CG C 13 27.85 0.45 A 44 ARG N N 15 128.065 0.005 A 45 GLU H H 1 8.602 0.008 A 45 GLU HA H 1 4.281 0.011 A 45 GLU HBy H 1 2.233 0.044 A 45 GLU HBx H 1 2.167 0.035 A 45 GLU HGx H 1 2.33 0.045 A 45 GLU CA C 13 58.822 0.039 A 45 GLU CB C 13 30.768 0.117 A 45 GLU CG C 13 36.843 0.45 A 45 GLU N N 15 117.9 0.025 A 46 THR H H 1 8.139 0.009 A 46 THR HA H 1 4.379 0.019 A 46 THR HB H 1 4.305 0.001 A 46 THR HG2% H 1 1.22 0.012 A 46 THR CA C 13 62.164 0.117 A 46 THR CB C 13 71.248 0.14 A 46 THR CG2 C 13 21.597 0.45 A 46 THR N N 15 107.054 0.03 A 47 GLY H H 1 8.242 0.008 A 47 GLY HAy H 1 4.159 0.019 A 47 GLY HAx H 1 3.756 0.011 A 47 GLY CA C 13 46.104 0.051 A 47 GLY N N 15 111.153 0.001 A 48 ARG H H 1 7.688 0.006 A 48 ARG HA H 1 4.297 0.015 A 48 ARG HBy H 1 1.79 0.013 A 48 ARG HBx H 1 1.61 0.029 A 48 ARG HDx H 1 3.03 0.014 A 48 ARG HDy H 1 3.07 0.045 A 48 ARG CA C 13 55.883 0.053 A 48 ARG CB C 13 32.206 0.041 A 48 ARG CD C 13 43.642 0.45 A 48 ARG CG C 13 27.803 0.45 A 48 ARG N N 15 119.634 0.029 A 49 SER H H 1 8.54 0.009 A 49 SER HA H 1 4.575 0.018 A 49 SER HBy H 1 4.159 0.029 A 49 SER HBx H 1 3.835 0.024 A 49 SER CA C 13 58.7 0.021 A 49 SER CB C 13 64.984 0.079 A 49 SER N N 15 116.775 0.029 A 50 ARG H H 1 9.195 0.014 A 50 ARG HA H 1 4.474 0.013 A 50 ARG HBy H 1 2.298 0.019 A 50 ARG HBx H 1 1.241 0.025 A 50 ARG HDy H 1 3.285 0.034 A 50 ARG HDx H 1 3.038 0.023 A 50 ARG HGx H 1 1.674 0.012 A 50 ARG HGy H 1 1.69 0.045 A 50 ARG CA C 13 57.151 0.067 A 50 ARG CB C 13 30.992 0.018 A 50 ARG CD C 13 44.131 0.001 A 50 ARG CG C 13 28.356 0.055 A 50 ARG N N 15 124.344 0.024 A 51 GLY H H 1 9.623 0.013 A 51 GLY HAy H 1 4.198 0.02 A 51 GLY HAx H 1 3.297 0.02 A 51 GLY CA C 13 46.172 0.045 A 51 GLY N N 15 108.648 0.006 A 52 PHE H H 1 7.138 0.01 A 52 PHE HA H 1 5.243 0.011 A 52 PHE HBy H 1 3.22 0.016 A 52 PHE HBx H 1 2.93 0.038 A 52 PHE HDx H 1 7.179 0 A 52 PHE CA C 13 55.272 0.033 A 52 PHE CB C 13 42.003 0.052 A 52 PHE CDx C 13 128.99 0 A 52 PHE N N 15 112.468 0.031 A 53 GLY H H 1 8.922 0.012 A 53 GLY HAx H 1 3.845 0.013 A 53 GLY CA C 13 45.587 0.071 A 53 GLY N N 15 106.38 0.052 A 54 PHE H H 1 8.072 0.01 A 54 PHE HA H 1 5.692 0.045 A 54 PHE HDx H 1 7.062 0 A 54 PHE CA C 13 58.193 0.45 A 54 PHE CB C 13 39.257 0.45 A 54 PHE CD1 C 13 129.115 0 A 54 PHE N N 15 120.24 0.078 A 55 VAL HA H 1 4.443 0.026 A 55 VAL HB H 1 1.211 0.009 A 55 VAL HGx% H 1 0.136 0.017 A 55 VAL CA C 13 61.417 0.45 A 55 VAL CB C 13 35.201 0.45 A 55 VAL CGy C 13 22.691 0.45 A 55 VAL CGx C 13 20.956 0.45 A 56 SER H H 1 8.886 0.01 A 56 SER HA H 1 5.299 0.018 A 56 SER HBy H 1 3.731 0.03 A 56 SER HBx H 1 3.723 0.029 A 56 SER CA C 13 57.31 0.137 A 56 SER CB C 13 65.453 0.019 A 56 SER N N 15 122.005 0.01 A 57 PHE H H 1 9.154 0.013 A 57 PHE HA H 1 5.454 0.021 A 57 PHE HBy H 1 3.624 0.016 A 57 PHE HBx H 1 3.01 0.022 A 57 PHE HD1 H 1 7.166 0 A 57 PHE CA C 13 57.619 0.013 A 57 PHE CB C 13 43.962 0.034 A 57 PHE CD1 C 13 135.875 0 A 57 PHE N N 15 123.381 0.019 A 58 SER H H 1 8.923 0.013 A 58 SER HA H 1 4.735 0.019 A 58 SER HBy H 1 4.314 0.027 A 58 SER HBx H 1 3.821 0.016 A 58 SER CA C 13 59.282 0.048 A 58 SER CB C 13 65.03 0.056 A 58 SER N N 15 113.204 0.024 A 59 ASN H H 1 7.591 0.007 A 59 ASN HA H 1 4.547 0.013 A 59 ASN HBy H 1 2.837 0.024 A 59 ASN HBx H 1 2.534 0.015 A 59 ASN CA C 13 52.853 0.02 A 59 ASN CB C 13 41.968 0.044 A 59 ASN N N 15 115.833 0.047 A 60 GLU H H 1 7.987 0.006 A 60 GLU HA H 1 3.176 0.019 A 60 GLU HBy H 1 1.652 0.01 A 60 GLU HBx H 1 1.47 0.021 A 60 GLU HGx H 1 2.108 0.005 A 60 GLU CA C 13 59.392 0.108 A 60 GLU CB C 13 30.43 0.036 A 60 GLU CG C 13 36.8 0.45 A 60 GLU N N 15 122.289 0.017 A 61 GLN H H 1 8.163 0.046 A 61 GLN HA H 1 3.779 0.023 A 61 GLN HBy H 1 2.104 0.023 A 61 GLN HBx H 1 1.981 0.023 A 61 GLN HGx H 1 2.362 0.019 A 61 GLN CA C 13 59.001 0.063 A 61 GLN CB C 13 28.471 0.033 A 61 GLN CG C 13 34.169 0.001 A 61 GLN N N 15 119.867 0.023 A 62 ALA H H 1 7.685 0.006 A 62 ALA HA H 1 3.867 0.016 A 62 ALA HB% H 1 1.217 0.011 A 62 ALA CA C 13 55.408 0.028 A 62 ALA CB C 13 19.962 0.043 A 62 ALA N N 15 121.088 0.028 A 63 MET H H 1 6.433 0.009 A 63 MET HA H 1 3.253 0.01 A 63 MET HBx H 1 2.23 0.045 A 63 MET HBy H 1 2.35 0.045 A 63 MET HGx H 1 3.244 0.013 A 63 MET CA C 13 59.27 0.039 A 63 MET CB C 13 32.808 0.078 A 63 MET CG C 13 31.591 0.45 A 63 MET N N 15 114.605 0.03 A 64 GLN H H 1 8.191 0.018 A 64 GLN HA H 1 3.925 0.018 A 64 GLN HBy H 1 2.439 0.033 A 64 GLN HBx H 1 2.065 0.02 A 64 GLN HGx H 1 2.537 0.019 A 64 GLN HGy H 1 2.837 0.045 A 64 GLN CA C 13 59.301 0.041 A 64 GLN CB C 13 27.911 0.051 A 64 GLN CG C 13 33.631 0.001 A 64 GLN N N 15 117.777 0.078 A 65 ASP H H 1 8.813 0.014 A 65 ASP HA H 1 4.264 0.011 A 65 ASP HBy H 1 2.885 0.01 A 65 ASP HBx H 1 2.744 0.016 A 65 ASP CA C 13 57.442 0.05 A 65 ASP CB C 13 40.178 0.057 A 65 ASP N N 15 121.093 0.006 A 66 ALA H H 1 8.009 0.009 A 66 ALA HA H 1 2.151 0.038 A 66 ALA HB1 H 1 1.281 0.006 A 66 ALA HB2 H 1 1.298 0.008 A 66 ALA HB3 H 1 1.298 0.008 A 66 ALA CA C 13 54.542 0.03 A 66 ALA CB C 13 20.221 0.093 A 66 ALA N N 15 125.406 0.105 A 67 ILE H H 1 7.922 0.006 A 67 ILE HA H 1 3.392 0.017 A 67 ILE HB H 1 1.83 0.019 A 67 ILE HD1% H 1 0.641 0.033 A 67 ILE HG12 H 1 0.962 0.027 A 67 ILE HG13 H 1 0.962 0.027 A 67 ILE HG2% H 1 0.618 0.045 A 67 ILE CA C 13 66.49 0.034 A 67 ILE CB C 13 39.236 0.054 A 67 ILE CD1 C 13 15.325 0.45 A 67 ILE CG1 C 13 30.998 0.45 A 67 ILE CG2 C 13 17.506 0.009 A 67 ILE N N 15 119.175 0.027 A 68 GLU H H 1 7.793 0.007 A 68 GLU HA H 1 4.028 0.018 A 68 GLU HBx H 1 2.058 0.023 A 68 GLU HGx H 1 2.324 0.045 A 68 GLU CA C 13 59.206 0.036 A 68 GLU CB C 13 30.227 0.13 A 68 GLU CG C 13 36.673 0.45 A 68 GLU N N 15 117.153 0.034 A 69 GLY H H 1 8.347 0.009 A 69 GLY HAy H 1 4.074 0.012 A 69 GLY HAx H 1 3.544 0.014 A 69 GLY CA C 13 46.608 0.032 A 69 GLY N N 15 104.98 0.029 A 70 MET H H 1 7.893 0.021 A 70 MET HA H 1 5.047 0.014 A 70 MET HBy H 1 2.044 0.005 A 70 MET HBx H 1 1.736 0.038 A 70 MET HGx H 1 2.026 0.011 A 70 MET CA C 13 53.949 0.008 A 70 MET CB C 13 33.949 0.096 A 70 MET N N 15 115.257 0.029 A 71 ASN H H 1 7.777 0.014 A 71 ASN HA H 1 4.377 0.01 A 71 ASN HBy H 1 3.325 0.017 A 71 ASN HBx H 1 2.971 0.017 A 71 ASN CA C 13 57.576 0.041 A 71 ASN CB C 13 39.277 0.03 A 71 ASN N N 15 117.147 0.032 A 72 GLY H H 1 8.826 0.012 A 72 GLY HAy H 1 4.208 0.013 A 72 GLY HAx H 1 3.863 0.016 A 72 GLY CA C 13 46.408 0.058 A 72 GLY N N 15 117.416 0.006 A 73 LYS H H 1 7.824 0.008 A 73 LYS HA H 1 4.364 0.011 A 73 LYS HBy H 1 2.117 0.045 A 73 LYS HBx H 1 2.016 0.01 A 73 LYS HD2 H 1 1.52 0.001 A 73 LYS HG2 H 1 1.31 0.001 A 73 LYS CA C 13 54.98 0.045 A 73 LYS CB C 13 33.112 0.042 A 73 LYS CD C 13 28.448 0.45 A 73 LYS CE C 13 43.087 0.45 A 73 LYS CG C 13 25.832 0.45 A 73 LYS N N 15 121.748 0.03 A 74 GLU H H 1 8.048 0.008 A 74 GLU HA H 1 4.767 0.026 A 74 GLU HBx H 1 1.842 0.016 A 74 GLU HGx H 1 2.075 0.01 A 74 GLU CA C 13 56.317 0.127 A 74 GLU CB C 13 31.137 0.117 A 74 GLU CG C 13 37.244 0.45 A 74 GLU N N 15 119.424 0.014 A 75 LEU H H 1 8.983 0.013 A 75 LEU HA H 1 4.528 0.039 A 75 LEU HBy H 1 1.864 0.013 A 75 LEU HBx H 1 1.133 0.012 A 75 LEU HDx% H 1 0.852 0.021 A 75 LEU HDy% H 1 0.796 0.045 A 75 LEU HG H 1 1.421 0.022 A 75 LEU CA C 13 55.104 0.045 A 75 LEU CB C 13 45.038 0.043 A 75 LEU CDy C 13 26.108 0.45 A 75 LEU CDx C 13 24.251 0.45 A 75 LEU CG C 13 28.111 0.45 A 75 LEU N N 15 127.376 0.002 A 76 ASP H H 1 9.556 0.015 A 76 ASP HA H 1 4.234 0.015 A 76 ASP HBy H 1 2.856 0.033 A 76 ASP HBx H 1 2.443 0.021 A 76 ASP CA C 13 56.164 0.044 A 76 ASP CB C 13 40.098 0.153 A 76 ASP N N 15 128.631 0.015 A 77 GLY H H 1 8.63 0.009 A 77 GLY HAy H 1 4.098 0.03 A 77 GLY HAx H 1 3.614 0.032 A 77 GLY CA C 13 45.892 0.07 A 77 GLY N N 15 102.092 0.032 A 78 ARG H H 1 7.478 0.004 A 78 ARG HA H 1 4.675 0.012 A 78 ARG HBy H 1 1.948 0.009 A 78 ARG HBx H 1 1.662 0.029 A 78 ARG HDx H 1 3.11 0.017 A 78 ARG HGy H 1 1.643 0.035 A 78 ARG HGx H 1 1.563 0.019 A 78 ARG CA C 13 53.906 0.031 A 78 ARG CB C 13 33.422 0.027 A 78 ARG CD C 13 42.994 0.45 A 78 ARG CG C 13 26.919 0.45 A 78 ARG N N 15 119.712 0.027 A 79 SER H H 1 8.352 0.008 A 79 SER HA H 1 4.554 0.031 A 79 SER HBy H 1 2.768 0.016 A 79 SER HBx H 1 2.584 0.005 A 79 SER CA C 13 58.17 0.076 A 79 SER CB C 13 63.354 0.092 A 79 SER N N 15 117.877 0.177 A 80 ILE H H 1 8.252 0.011 A 80 ILE HA H 1 4.642 0.037 A 80 ILE HB H 1 2.087 0.003 A 80 ILE HG1x H 1 1.38 0.016 A 80 ILE HG2% H 1 0.957 0.001 A 80 ILE CA C 13 61.973 0.135 A 80 ILE CB C 13 40.227 0.061 A 80 ILE CD1 C 13 15.195 0.45 A 80 ILE CG1 C 13 30.915 0.015 A 80 ILE CG2 C 13 19.495 0.45 A 80 ILE N N 15 121.931 0.035 A 81 VAL H H 1 8.068 0.011 A 81 VAL HA H 1 4.678 0.013 A 81 VAL HB H 1 1.765 0.018 A 81 VAL HGy% H 1 0.992 0.023 A 81 VAL CA C 13 60.841 0.082 A 81 VAL CB C 13 35.153 0.03 A 81 VAL CGy C 13 24.712 0.45 A 81 VAL CGx C 13 21.212 0.003 A 81 VAL N N 15 121.497 0.068 A 82 VAL H H 1 8.656 0.01 A 82 VAL HA H 1 5.474 0.027 A 82 VAL HB H 1 1.941 0.018 A 82 VAL HGy% H 1 1.078 0.025 A 82 VAL CA C 13 60.722 0.021 A 82 VAL CB C 13 35.323 0.076 A 82 VAL CGx C 13 23.49 0.45 A 82 VAL CGy C 13 23.97 1.269 A 82 VAL N N 15 124.516 0.014 A 83 ASN H H 1 8.981 0.011 A 83 ASN HA H 1 4.921 0.009 A 83 ASN HBy H 1 3.006 0.015 A 83 ASN HBx H 1 2.859 0.026 A 83 ASN CA C 13 52.416 0.044 A 83 ASN CB C 13 42.493 0.055 A 83 ASN N N 15 120.981 0.032 A 84 GLU H H 1 9.223 0.014 A 84 GLU HA H 1 4.379 0.015 A 84 GLU HBx H 1 2.108 0.012 A 84 GLU HGy H 1 2.64 0.011 A 84 GLU HGx H 1 2.469 0.012 A 84 GLU CA C 13 58.562 0.127 A 84 GLU CB C 13 30.346 0.052 A 84 GLU CG C 13 36.781 0.001 A 84 GLU N N 15 122.499 0.012 A 85 ALA H H 1 8.802 0.015 A 85 ALA HA H 1 4.515 0.014 A 85 ALA HB1 H 1 1.462 0.045 A 85 ALA HB2 H 1 1.483 0.006 A 85 ALA HB3 H 1 1.483 0.006 A 85 ALA CA C 13 53.27 0.104 A 85 ALA CB C 13 19.901 0.016 A 85 ALA N N 15 128.423 0.019 A 86 GLN H H 1 8.763 0.013 A 86 GLN HA H 1 4.345 0.013 A 86 GLN HB2 H 1 2.08 0.001 A 86 GLN HGx H 1 2.368 0.013 A 86 GLN CA C 13 56.546 0.065 A 86 GLN CB C 13 29.856 0.031 A 86 GLN CG C 13 34.192 0.45 A 86 GLN N N 15 120.43 0.031 A 87 SER H H 1 8.385 0.008 A 87 SER HA H 1 4.425 0.028 A 87 SER HBx H 1 3.845 0.025 A 87 SER CA C 13 58.891 0.147 A 87 SER CB C 13 63.966 0.063 A 87 SER N N 15 117.072 0.024 A 88 ARG H H 1 8.284 0.011 A 88 ARG HA H 1 4.271 0.013 A 88 ARG HBx H 1 1.755 0.021 A 88 ARG HDx H 1 3.023 0.024 A 88 ARG HGx H 1 1.514 0.028 A 88 ARG CA C 13 56.553 0.052 A 88 ARG CB C 13 30.997 0.064 A 88 ARG CD C 13 43.599 0.45 A 88 ARG CG C 13 27.351 0.45 A 88 ARG N N 15 122.122 0.114 A 89 GLY H H 1 8.256 0.012 A 89 GLY HAx H 1 3.838 0.045 A 89 GLY CA C 13 45.553 0.107 A 89 GLY N N 15 109.203 0.029 A 90 TYR H H 1 8.066 0.012 A 90 TYR HA H 1 4.494 0.012 A 90 TYR HBx H 1 2.982 0.028 A 90 TYR HDx H 1 7.689 0 A 90 TYR CA C 13 58.419 0.194 A 90 TYR CB C 13 39.213 0.049 A 90 TYR CD1 C 13 129.428 0 A 90 TYR N N 15 119.429 0.019 A 91 GLY H H 1 8.349 0.01 A 91 GLY HAx H 1 4.755 0.009 A 91 GLY CA C 13 45.828 0.294 A 91 GLY N N 15 111.579 0.03 A 92 GLY H H 1 7.571 0.011 A 92 GLY CA C 13 46.16 0.45 A 92 GLY N N 15 115.937 0.397 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 1 MET HBy A 3 GLU H 1.0 . 4.95 2 2 A 2 ALA H A 2 ALA HA 1.0 . 4.01 3 3 A 2 ALA H A 2 ALA HB% 1.0 . 4.08 4 4 A 3 GLU H A 2 ALA H 1.0 . 4.05 5 5 A 2 ALA HA A 2 ALA HB% 1.0 . 3.91 6 6 A 3 GLU H A 4 SER H 1.0 . 4.05 7 7 A 3 GLU HA A 3 GLU HBy 1.0 . 4.29 8 8 A 3 GLU HA A 3 GLU HGx 1.0 . 4.27 9 9 A 3 GLU HA A 3 GLU HGy 1.0 . 4.13 10 10 A 4 SER H A 3 GLU HA 1.0 . 4.35 11 11 A 3 GLU HBx A 8 GLU HA 1.0 . 4.17 12 12 A 5 ASP H A 5 ASP HA 1.0 . 3.46 13 13 A 5 ASP H A 6 GLY H 1.0 . 3.46 14 14 A 5 ASP HA A 5 ASP HBy 1.0 . 3.32 15 15 A 5 ASP HA A 7 ALA H 1.0 . 4.74 16 16 A 6 GLY H A 6 GLY HAx 1.0 . 3.67 17 16 A 6 GLY H A 6 GLY HAy 1.0 . 3.67 18 17 A 6 GLY H A 7 ALA H 1.0 . 4.47 19 18 A 7 ALA H A 6 GLY HAx 1.0 . 3.78 20 18 A 7 ALA H A 6 GLY HAy 1.0 . 3.78 21 19 A 7 ALA H A 7 ALA HA 1.0 . 5.15 22 20 A 8 GLU HA A 8 GLU HBx 1.0 . 4.13 23 20 A 8 GLU HA A 8 GLU HBy 1.0 . 4.13 24 21 A 8 GLU HA A 9 TYR H 1.0 . 3.42 25 22 A 8 GLU HBy A 8 GLU HGx 1.0 . 3.66 26 22 A 8 GLU HBx A 8 GLU HGx 1.0 . 3.66 27 22 A 8 GLU HGy A 8 GLU HBx 1.0 . 3.66 28 22 A 8 GLU HBy A 8 GLU HGy 1.0 . 3.66 29 23 A 9 TYR H A 8 GLU HBx 1.0 . 4.24 30 23 A 8 GLU HBy A 9 TYR H 1.0 . 4.24 31 24 A 86 GLN HA A 8 GLU HGx 1.0 . 3.83 32 24 A 8 GLU HGy A 86 GLN HA 1.0 . 3.83 33 25 A 9 TYR H A 10 ARG H 1.0 . 5.18 34 26 A 9 TYR H A 9 TYR HA 1.0 . 4.54 35 27 A 9 TYR H A 9 TYR HBx 1.0 . 4.31 36 28 A 10 ARG H A 9 TYR HA 1.0 . 3.61 37 29 A 9 TYR HA A 63 MET HGx 1.0 . 4.28 38 29 A 9 TYR HA A 63 MET HGy 1.0 . 4.28 39 30 A 9 TYR HA A 9 TYR HBx 1.0 . 4.54 40 31 A 9 TYR HBx A 60 GLU HA 1.0 . 4.96 41 32 A 10 ARG H A 10 ARG HA 1.0 . 5.14 42 33 A 10 ARG H A 10 ARG HBx 1.0 . 4.18 43 34 A 10 ARG H A 10 ARG HDx 1.0 . 5.50 44 34 A 10 ARG H A 10 ARG HDy 1.0 . 5.50 45 35 A 10 ARG H A 11 CYS H 1.0 . 4.76 46 36 A 10 ARG H A 63 MET HGx 1.0 . 5.48 47 36 A 10 ARG H A 63 MET HGy 1.0 . 5.48 48 37 A 10 ARG HA A 10 ARG HBx 1.0 . 4.07 49 38 A 10 ARG HA A 10 ARG HGx 1.0 . 4.31 50 39 A 10 ARG HA A 10 ARG HDx 1.0 . 4.97 51 39 A 10 ARG HA A 10 ARG HDy 1.0 . 4.97 52 40 A 10 ARG HA A 11 CYS H 1.0 . 3.40 53 41 A 10 ARG HA A 56 SER HA 1.0 . 4.00 54 42 A 10 ARG HA A 56 SER HBx 1.0 . 4.85 55 43 A 10 ARG HBx A 10 ARG HDx 1.0 . 4.85 56 43 A 10 ARG HBx A 10 ARG HDy 1.0 . 4.85 57 44 A 10 ARG HBx A 11 CYS H 1.0 . 4.87 58 45 A 10 ARG HGy A 10 ARG HDx 1.0 . 4.35 59 45 A 10 ARG HDy A 10 ARG HGy 1.0 . 4.35 60 46 A 10 ARG HGy A 85 ALA H 1.0 . 4.51 61 47 A 11 CYS H A 10 ARG HGx 1.0 . 4.34 62 48 A 85 ALA H A 10 ARG O 1.0 . 2.80 63 49 A 10 ARG O A 85 ALA N 1.0 . 3.80 64 50 A 85 ALA HB1 A 10 ARG HDx 1.0 . 4.23 65 50 A 10 ARG HDy A 85 ALA HB1 1.0 . 4.23 66 51 A 11 CYS H A 11 CYS HA 1.0 . 4.54 67 52 A 11 CYS H A 11 CYS HBy 1.0 . 4.25 68 53 A 11 CYS H A 55 VAL O 1.0 . 2.80 69 54 A 11 CYS HA A 11 CYS HBy 1.0 . 4.89 70 55 A 11 CYS HA A 11 CYS HBx 1.0 . 4.85 71 56 A 11 CYS HA A 12 PHE H 1.0 . 3.55 72 57 A 11 CYS HA A 84 GLU HA 1.0 . 4.51 73 58 A 85 ALA H A 11 CYS HA 1.0 . 4.22 74 59 A 11 CYS HBy A 12 PHE H 1.0 . 4.30 75 60 A 11 CYS HBy A 82 VAL HG11 1.0 . 4.80 76 61 A 11 CYS HBy A 84 GLU H 1.0 . 4.24 77 62 A 85 ALA H A 11 CYS HBx 1.0 . 5.35 78 63 A 55 VAL O A 11 CYS N 1.0 . 3.80 79 64 A 11 CYS O A 55 VAL H 1.0 . 2.80 80 65 A 11 CYS O A 55 VAL N 1.0 . 3.80 81 66 A 12 PHE H A 12 PHE HA 1.0 . 4.66 82 67 A 12 PHE H A 12 PHE HBx 1.0 . 3.85 83 67 A 12 PHE H A 12 PHE HBy 1.0 . 3.85 84 68 A 12 PHE H A 12 PHE HD% 1.0 . 5.44 85 69 A 12 PHE H A 83 ASN H 1.0 . 4.98 86 70 A 12 PHE H A 83 ASN O 1.0 . 2.80 87 71 A 85 ALA H A 12 PHE H 1.0 . 5.39 88 72 A 12 PHE H A 85 ALA HA 1.0 . 4.66 89 73 A 85 ALA HB1 A 12 PHE H 1.0 . 4.81 90 74 A 12 PHE HA A 13 VAL H 1.0 . 3.54 91 75 A 83 ASN O A 12 PHE N 1.0 . 3.80 92 76 A 83 ASN H A 12 PHE O 1.0 . 2.80 93 77 A 12 PHE O A 83 ASN N 1.0 . 3.80 94 78 A 12 PHE HD% A 13 VAL H 1.0 . 5.50 95 79 A 12 PHE HD% A 53 GLY H 1.0 . 4.70 96 80 A 12 PHE HD% A 83 ASN H 1.0 . 5.32 97 81 A 13 VAL H A 13 VAL HB 1.0 . 4.34 98 82 A 13 VAL H A 13 VAL HGy% 1.0 . 4.31 99 83 A 13 VAL H A 52 PHE HBx 1.0 . 5.23 100 84 A 13 VAL H A 53 GLY H 1.0 . 5.30 101 85 A 13 VAL HB A 13 VAL HA 1.0 . 5.04 102 86 A 13 VAL HA A 13 VAL HGx% 1.0 . 4.23 103 87 A 13 VAL HA A 14 GLY HAx 1.0 . 4.95 104 88 A 13 VAL HA A 82 VAL HA 1.0 . 4.53 105 89 A 13 VAL HB A 13 VAL HGy% 1.0 . 3.75 106 90 A 53 GLY H A 13 VAL HB 1.0 . 4.71 107 91 A 53 GLY H A 13 VAL O 1.0 . 2.80 108 92 A 13 VAL O A 53 GLY N 1.0 . 3.80 109 93 A 13 VAL HGy% A 13 VAL HGx% 1.0 . 3.59 110 94 A 13 VAL HGx% A 14 GLY H 1.0 . 4.61 111 95 A 13 VAL HGx% A 25 LEU HBx 1.0 . 4.30 112 96 A 53 GLY H A 13 VAL HGx% 1.0 . 5.38 113 97 A 13 VAL HGx% A 55 VAL HB 1.0 . 4.14 114 98 A 13 VAL HGx% A 81 VAL H 1.0 . 4.39 115 99 A 13 VAL HGx% A 82 VAL HA 1.0 . 4.94 116 100 A 82 VAL HG11 A 13 VAL HGx% 1.0 . 4.36 117 101 A 13 VAL HGy% A 14 GLY H 1.0 . 5.50 118 102 A 13 VAL HGy% A 25 LEU HBy 1.0 . 4.91 119 103 A 13 VAL HGy% A 25 LEU HBx 1.0 . 4.54 120 104 A 13 VAL HGy% A 55 VAL HGx% 1.0 . 4.46 121 105 A 82 VAL HG11 A 13 VAL HGy% 1.0 . 4.60 122 106 A 14 GLY H A 14 GLY HAy 1.0 . 3.57 123 107 A 14 GLY HAx A 14 GLY H 1.0 . 4.62 124 108 A 14 GLY H A 81 VAL H 1.0 . 4.85 125 109 A 14 GLY H A 81 VAL HB 1.0 . 4.80 126 110 A 14 GLY H A 81 VAL O 1.0 . 2.80 127 111 A 82 VAL HA A 14 GLY H 1.0 . 5.30 128 112 A 82 VAL HG11 A 14 GLY H 1.0 . 4.72 129 113 A 14 GLY HAx A 14 GLY HAy 1.0 . 4.08 130 114 A 14 GLY HAy A 15 SER H 1.0 . 4.45 131 115 A 14 GLY HAy A 16 LEU H 1.0 . 5.03 132 116 A 14 GLY HAx A 15 SER H 1.0 . 4.46 133 117 A 14 GLY HAx A 52 PHE HBy 1.0 . 4.94 134 118 A 52 PHE HBx A 14 GLY HAx 1.0 . 4.12 135 119 A 81 VAL O A 14 GLY N 1.0 . 3.80 136 120 A 81 VAL H A 14 GLY O 1.0 . 2.80 137 121 A 14 GLY O A 81 VAL N 1.0 . 3.80 138 122 A 15 SER H A 15 SER HBx 1.0 . 3.56 139 122 A 15 SER H A 15 SER HBy 1.0 . 3.56 140 123 A 15 SER H A 16 LEU H 1.0 . 4.50 141 124 A 15 SER H A 51 GLY O 1.0 . 2.80 142 125 A 15 SER HA A 15 SER HBx 1.0 . 3.33 143 125 A 15 SER HBy A 15 SER HA 1.0 . 3.33 144 126 A 15 SER HA A 80 ILE HA 1.0 . 4.29 145 127 A 51 GLY O A 15 SER N 1.0 . 3.80 146 128 A 16 LEU H A 15 SER HBx 1.0 . 4.02 147 128 A 16 LEU H A 15 SER HBy 1.0 . 4.02 148 129 A 76 ASP HBx A 15 SER HBx 1.0 . 4.45 149 129 A 15 SER HBy A 76 ASP HBx 1.0 . 4.45 150 130 A 80 ILE HA A 15 SER HBx 1.0 . 4.29 151 130 A 15 SER HBy A 80 ILE HA 1.0 . 4.29 152 131 A 81 VAL H A 15 SER HBx 1.0 . 5.00 153 131 A 81 VAL H A 15 SER HBy 1.0 . 5.00 154 132 A 16 LEU H A 16 LEU HA 1.0 . 4.67 155 133 A 16 LEU H A 16 LEU HBy 1.0 . 3.74 156 134 A 16 LEU H A 16 LEU HBx 1.0 . 3.93 157 135 A 16 LEU H A 16 LEU HDx% 1.0 . 4.89 158 136 A 16 LEU H A 16 LEU HDy% 1.0 . 5.03 159 137 A 16 LEU H A 51 GLY O 1.0 . 2.80 160 138 A 16 LEU HA A 16 LEU HBx 1.0 . 4.51 161 139 A 16 LEU HA A 16 LEU HDx% 1.0 . 5.50 162 140 A 16 LEU HA A 17 SER H 1.0 . 3.76 163 141 A 16 LEU HBy A 17 SER H 1.0 . 4.58 164 142 A 16 LEU HBx A 16 LEU HDy% 1.0 . 3.97 165 143 A 16 LEU HBx A 17 SER H 1.0 . 5.05 166 144 A 16 LEU HBx A 21 ASP HA 1.0 . 3.96 167 145 A 16 LEU HBx A 51 GLY HAx 1.0 . 4.84 168 146 A 16 LEU HDx% A 17 SER H 1.0 . 4.81 169 147 A 16 LEU HDx% A 20 THR HB 1.0 . 4.80 170 148 A 16 LEU HDx% A 21 ASP HA 1.0 . 4.67 171 149 A 16 LEU HDx% A 40 ILE HG1x 1.0 . 3.45 172 149 A 16 LEU HDx% A 40 ILE HG1y 1.0 . 3.45 173 150 A 16 LEU HDx% A 41 ILE H 1.0 . 3.88 174 151 A 16 LEU HDx% A 52 PHE H 1.0 . 4.85 175 152 A 16 LEU HDx% A 20 THR HB 1.0 . 4.85 176 153 A 16 LEU HDx% A 52 PHE HA 1.0 . 4.69 177 154 A 53 GLY H A 16 LEU HDx% 1.0 . 4.55 178 155 A 51 GLY O A 16 LEU N 1.0 . 3.80 179 156 A 16 LEU HDx% A 16 LEU HDy% 1.0 . 3.58 180 157 A 16 LEU HDy% A 52 PHE H 1.0 . 5.46 181 158 A 17 SER H A 17 SER HA 1.0 . 3.73 182 159 A 17 SER H A 78 ARG HGx 1.0 . 5.15 183 160 A 17 SER HA A 19 ASN H 1.0 . 4.77 184 161 A 17 SER O A 20 THR H 1.0 . 2.80 185 162 A 17 SER O A 20 THR N 1.0 . 3.80 186 163 A 18 TRP H A 18 TRP HA 1.0 . 5.01 187 164 A 18 TRP H A 18 TRP HBx 1.0 . 4.66 188 165 A 19 ASN H A 18 TRP H 1.0 . 5.37 189 166 A 20 THR H A 18 TRP H 1.0 . 5.29 190 167 A 18 TRP H A 49 SER HBy 1.0 . 4.14 191 168 A 18 TRP HA A 18 TRP HBy 1.0 . 4.67 192 169 A 18 TRP HA A 49 SER HBx 1.0 . 4.56 193 170 A 19 ASN H A 18 TRP HBy 1.0 . 5.50 194 171 A 19 ASN H A 19 ASN HA 1.0 . 4.44 195 172 A 19 ASN H A 19 ASN HBx 1.0 . 3.84 196 173 A 19 ASN H A 20 THR H 1.0 . 3.92 197 174 A 19 ASN HA A 19 ASN HBx 1.0 . 4.08 198 175 A 20 THR H A 19 ASN HA 1.0 . 5.01 199 176 A 20 THR H A 19 ASN HBx 1.0 . 5.31 200 177 A 20 THR H A 20 THR HA 1.0 . 4.31 201 178 A 20 THR HB A 20 THR H 1.0 . 3.65 202 179 A 20 THR H A 20 THR HG2% 1.0 . 4.97 203 180 A 20 THR HB A 20 THR HA 1.0 . 5.00 204 181 A 20 THR HA A 20 THR HG2% 1.0 . 4.17 205 182 A 20 THR HA A 21 ASP H 1.0 . 3.23 206 183 A 20 THR HB A 21 ASP H 1.0 . 5.50 207 184 A 20 THR HB A 20 THR HG2% 1.0 . 3.90 208 185 A 20 THR HG2% A 21 ASP H 1.0 . 3.95 209 186 A 20 THR HG2% A 25 LEU H 1.0 . 3.85 210 187 A 21 ASP HA A 21 ASP H 1.0 . 4.55 211 188 A 21 ASP H A 21 ASP HBx 1.0 . 4.81 212 189 A 21 ASP H A 24 GLY H 1.0 . 4.73 213 190 A 21 ASP HA A 21 ASP HBy 1.0 . 4.63 214 191 A 21 ASP HA A 21 ASP HBx 1.0 . 4.59 215 192 A 21 ASP HA A 22 ASP H 1.0 . 3.65 216 193 A 21 ASP HBy A 22 ASP H 1.0 . 3.52 217 194 A 21 ASP HBx A 21 ASP HBy 1.0 . 4.07 218 195 A 25 LEU H A 21 ASP O 1.0 . 2.80 219 196 A 21 ASP O A 25 LEU N 1.0 . 3.80 220 197 A 22 ASP H A 22 ASP HA 1.0 . 4.07 221 198 A 22 ASP H A 22 ASP HBy 1.0 . 4.02 222 199 A 22 ASP H A 22 ASP HBx 1.0 . 3.47 223 200 A 22 ASP H A 23 ARG H 1.0 . 5.50 224 201 A 22 ASP H A 40 ILE HG1x 1.0 . 4.87 225 201 A 40 ILE HG1y A 22 ASP H 1.0 . 4.87 226 202 A 22 ASP HA A 22 ASP HBy 1.0 . 4.39 227 203 A 22 ASP HA A 22 ASP HBx 1.0 . 4.51 228 204 A 25 LEU H A 22 ASP HA 1.0 . 4.40 229 205 A 25 LEU HBx A 22 ASP HA 1.0 . 4.77 230 206 A 22 ASP HA A 40 ILE HB 1.0 . 4.14 231 207 A 22 ASP HA A 40 ILE HG1x 1.0 . 4.50 232 207 A 40 ILE HG1y A 22 ASP HA 1.0 . 4.50 233 208 A 22 ASP HBy A 23 ARG H 1.0 . 4.94 234 209 A 22 ASP HBx A 23 ARG H 1.0 . 4.27 235 210 A 22 ASP HBx A 38 ALA H 1.0 . 5.04 236 211 A 22 ASP O A 26 GLU H 1.0 . 2.80 237 212 A 22 ASP O A 26 GLU N 1.0 . 3.80 238 213 A 23 ARG H A 23 ARG HA 1.0 . 4.14 239 214 A 23 ARG H A 23 ARG HBx 1.0 . 3.43 240 215 A 23 ARG H A 23 ARG HBy 1.0 . 3.90 241 216 A 24 GLY H A 23 ARG H 1.0 . 4.04 242 217 A 23 ARG HA A 23 ARG HBx 1.0 . 4.02 243 218 A 23 ARG HA A 23 ARG HBy 1.0 . 4.43 244 219 A 26 GLU H A 23 ARG HA 1.0 . 4.45 245 220 A 23 ARG HA A 26 GLU HBy 1.0 . 4.22 246 221 A 23 ARG HBx A 23 ARG HDx 1.0 . 4.25 247 222 A 24 GLY H A 23 ARG HBx 1.0 . 4.15 248 223 A 23 ARG HBy A 23 ARG HDx 1.0 . 3.40 249 224 A 23 ARG O A 27 ALA H 1.0 . 2.80 250 225 A 23 ARG O A 27 ALA N 1.0 . 3.80 251 226 A 24 GLY H A 24 GLY HAy 1.0 . 3.57 252 227 A 24 GLY H A 24 GLY HAx 1.0 . 3.74 253 228 A 25 LEU H A 24 GLY H 1.0 . 5.12 254 229 A 25 LEU H A 24 GLY HAy 1.0 . 4.43 255 230 A 27 ALA H A 24 GLY HAy 1.0 . 3.61 256 231 A 24 GLY O A 28 ALA H 1.0 . 2.80 257 232 A 24 GLY O A 28 ALA N 1.0 . 3.80 258 233 A 25 LEU HBy A 25 LEU H 1.0 . 3.97 259 234 A 25 LEU HBx A 25 LEU H 1.0 . 3.84 260 235 A 25 LEU H A 26 GLU H 1.0 . 4.28 261 236 A 25 LEU HA A 28 ALA HB% 1.0 . 4.30 262 237 A 25 LEU HBx A 25 LEU HBy 1.0 . 4.20 263 238 A 25 LEU HBy A 26 GLU H 1.0 . 4.19 264 239 A 25 LEU HBx A 26 GLU H 1.0 . 4.64 265 240 A 25 LEU O A 29 PHE H 1.0 . 2.80 266 241 A 25 LEU O A 29 PHE N 1.0 . 3.80 267 242 A 26 GLU H A 26 GLU HA 1.0 . 4.10 268 243 A 26 GLU H A 26 GLU HBx 1.0 . 3.85 269 244 A 26 GLU H A 27 ALA H 1.0 . 3.78 270 245 A 26 GLU HBy A 26 GLU HA 1.0 . 3.87 271 246 A 26 GLU HA A 26 GLU HGy 1.0 . 4.47 272 247 A 29 PHE H A 26 GLU HA 1.0 . 4.09 273 248 A 26 GLU HA A 35 ILE HD11 1.0 . 4.45 274 249 A 27 ALA H A 26 GLU HBx 1.0 . 3.36 275 250 A 26 GLU HGy A 27 ALA HA 1.0 . 4.45 276 251 A 26 GLU O A 30 SER H 1.0 . 2.80 277 252 A 26 GLU O A 30 SER N 1.0 . 3.80 278 253 A 27 ALA H A 27 ALA HA 1.0 . 3.65 279 254 A 27 ALA H A 27 ALA HB1 1.0 . 3.43 280 255 A 27 ALA H A 28 ALA H 1.0 . 4.30 281 256 A 27 ALA HA A 27 ALA HB1 1.0 . 4.15 282 257 A 27 ALA HA A 30 SER H 1.0 . 3.46 283 258 A 28 ALA H A 27 ALA HB1 1.0 . 4.01 284 259 A 28 ALA H A 28 ALA HA 1.0 . 2.92 285 260 A 28 ALA H A 28 ALA HB% 1.0 . 3.19 286 261 A 28 ALA H A 29 PHE H 1.0 . 4.30 287 262 A 29 PHE H A 28 ALA HA 1.0 . 4.78 288 263 A 28 ALA HB% A 28 ALA HA 1.0 . 3.41 289 264 A 28 ALA HB% A 29 PHE H 1.0 . 4.17 290 265 A 28 ALA HB% A 30 SER H 1.0 . 5.50 291 266 A 28 ALA HB% A 75 LEU HDx% 1.0 . 4.04 292 267 A 28 ALA HB% A 75 LEU HDx% 1.0 . 3.62 293 268 A 29 PHE H A 29 PHE HA 1.0 . 4.68 294 269 A 29 PHE H A 29 PHE HBx 1.0 . 3.82 295 270 A 29 PHE H A 30 SER H 1.0 . 3.65 296 271 A 29 PHE H A 35 ILE HD11 1.0 . 5.46 297 272 A 29 PHE HA A 29 PHE HBy 1.0 . 5.07 298 273 A 29 PHE HA A 29 PHE HBx 1.0 . 5.14 299 274 A 30 SER H A 29 PHE HA 1.0 . 5.32 300 275 A 29 PHE HA A 31 SER H 1.0 . 3.77 301 276 A 30 SER H A 29 PHE HBy 1.0 . 5.48 302 277 A 35 ILE HD11 A 29 PHE HBy 1.0 . 4.25 303 278 A 29 PHE HBx A 29 PHE HBy 1.0 . 4.66 304 279 A 30 SER H A 29 PHE HBx 1.0 . 5.25 305 280 A 35 ILE HD11 A 29 PHE HBx 1.0 . 4.69 306 281 A 29 PHE O A 32 PHE H 1.0 . 2.80 307 282 A 29 PHE O A 32 PHE N 1.0 . 3.80 308 283 A 29 PHE O A 33 GLY H 1.0 . 2.80 309 284 A 29 PHE O A 33 GLY N 1.0 . 3.80 310 285 A 30 SER H A 30 SER HA 1.0 . 3.84 311 286 A 30 SER H A 31 SER H 1.0 . 3.56 312 287 A 30 SER HA A 30 SER HBy 1.0 . 3.66 313 288 A 30 SER HA A 30 SER HBx 1.0 . 4.20 314 289 A 35 ILE HD11 A 30 SER HA 1.0 . 3.83 315 290 A 31 SER H A 31 SER HA 1.0 . 4.36 316 291 A 31 SER H A 31 SER HBx 1.0 . 4.19 317 292 A 31 SER H A 32 PHE H 1.0 . 4.24 318 293 A 31 SER HA A 31 SER HBy 1.0 . 4.41 319 294 A 31 SER HA A 31 SER HBx 1.0 . 4.54 320 295 A 32 PHE H A 31 SER HA 1.0 . 4.87 321 296 A 32 PHE H A 32 PHE HA 1.0 . 4.14 322 297 A 32 PHE H A 32 PHE HBy 1.0 . 4.50 323 298 A 32 PHE H A 32 PHE HBx 1.0 . 4.27 324 299 A 32 PHE H A 33 GLY H 1.0 . 4.18 325 300 A 32 PHE HA A 32 PHE HBy 1.0 . 4.90 326 301 A 32 PHE HA A 32 PHE HBx 1.0 . 4.26 327 302 A 32 PHE HBy A 32 PHE HBx 1.0 . 4.21 328 303 A 32 PHE HBx A 62 ALA HA 1.0 . 4.41 329 304 A 32 PHE HBx A 62 ALA HB% 1.0 . 4.82 330 305 A 33 GLY H A 33 GLY HAy 1.0 . 3.67 331 306 A 33 GLY H A 33 GLY HAx 1.0 . 3.92 332 307 A 33 GLY HAy A 34 GLU H 1.0 . 4.06 333 308 A 62 ALA HB% A 33 GLY HAy 1.0 . 4.19 334 309 A 33 GLY HAy A 33 GLY HAx 1.0 . 3.40 335 310 A 33 GLY HAx A 34 GLU H 1.0 . 4.30 336 311 A 62 ALA HB% A 33 GLY HAx 1.0 . 4.53 337 312 A 34 GLU H A 34 GLU HBy 1.0 . 3.79 338 313 A 34 GLU HBy A 35 ILE H 1.0 . 4.42 339 314 A 35 ILE H A 36 LEU H 1.0 . 4.88 340 315 A 35 ILE HD11 A 35 ILE HA 1.0 . 4.28 341 316 A 36 LEU H A 35 ILE HA 1.0 . 3.68 342 317 A 35 ILE HA A 37 ASP H 1.0 . 4.85 343 318 A 35 ILE HA A 57 PHE HA 1.0 . 4.35 344 319 A 35 ILE HD11 A 36 LEU H 1.0 . 4.17 345 320 A 35 ILE HD11 A 37 ASP H 1.0 . 3.78 346 321 A 35 ILE HD11 A 56 SER H 1.0 . 4.85 347 322 A 35 ILE HD11 A 57 PHE HA 1.0 . 4.97 348 323 A 36 LEU H A 36 LEU HBx 1.0 . 3.66 349 323 A 36 LEU H A 36 LEU HBy 1.0 . 3.66 350 324 A 36 LEU H A 37 ASP H 1.0 . 3.85 351 325 A 36 LEU H A 56 SER O 1.0 . 2.80 352 326 A 36 LEU HA A 36 LEU HBx 1.0 . 4.68 353 326 A 36 LEU HBy A 36 LEU HA 1.0 . 4.68 354 327 A 36 LEU HA A 36 LEU HDx% 1.0 . 4.47 355 328 A 56 SER O A 36 LEU N 1.0 . 3.80 356 329 A 36 LEU HDx% A 36 LEU HBx 1.0 . 4.39 357 329 A 36 LEU HBy A 36 LEU HDx% 1.0 . 4.39 358 330 A 37 ASP H A 36 LEU HBx 1.0 . 3.97 359 330 A 37 ASP H A 36 LEU HBy 1.0 . 3.97 360 331 A 58 SER HA A 36 LEU HBx 1.0 . 4.90 361 331 A 36 LEU HBy A 58 SER HA 1.0 . 4.90 362 332 A 36 LEU HDx% A 56 SER HBy 1.0 . 5.01 363 333 A 36 LEU HDx% A 58 SER H 1.0 . 5.31 364 334 A 36 LEU HDx% A 58 SER HA 1.0 . 4.50 365 335 A 36 LEU HDx% A 58 SER HBy 1.0 . 4.74 366 336 A 36 LEU HDx% A 58 SER HBx 1.0 . 4.80 367 337 A 37 ASP H A 37 ASP HA 1.0 . 4.61 368 338 A 37 ASP H A 37 ASP HBx 1.0 . 5.11 369 339 A 37 ASP H A 56 SER H 1.0 . 4.59 370 340 A 56 SER HBx A 37 ASP H 1.0 . 4.32 371 341 A 37 ASP HA A 37 ASP HBy 1.0 . 4.10 372 342 A 37 ASP HA A 37 ASP HBx 1.0 . 4.46 373 343 A 38 ALA H A 37 ASP HA 1.0 . 3.13 374 344 A 38 ALA H A 37 ASP HBy 1.0 . 5.04 375 345 A 37 ASP HBy A 38 ALA HA 1.0 . 4.67 376 346 A 56 SER HBy A 37 ASP HBy 1.0 . 4.88 377 347 A 37 ASP HBx A 37 ASP HBy 1.0 . 3.45 378 348 A 38 ALA H A 37 ASP HBx 1.0 . 5.45 379 349 A 56 SER HBx A 37 ASP HBx 1.0 . 4.84 380 350 A 56 SER H A 37 ASP O 1.0 . 2.80 381 351 A 37 ASP O A 56 SER N 1.0 . 3.80 382 352 A 38 ALA H A 38 ALA HA 1.0 . 4.63 383 353 A 38 ALA H A 38 ALA HB% 1.0 . 3.87 384 354 A 38 ALA HA A 55 VAL HA 1.0 . 3.95 385 355 A 56 SER H A 38 ALA HA 1.0 . 5.17 386 356 A 38 ALA HA A 38 ALA HB% 1.0 . 3.93 387 357 A 39 LYS H A 54 PHE O 1.0 . 2.80 388 358 A 39 LYS HA A 39 LYS HBy 1.0 . 4.45 389 359 A 39 LYS HA A 39 LYS HBx 1.0 . 4.45 390 360 A 39 LYS HA A 39 LYS HDx 1.0 . 4.81 391 361 A 39 LYS HA A 40 ILE H 1.0 . 3.36 392 362 A 39 LYS HBy A 39 LYS HDx 1.0 . 3.98 393 363 A 39 LYS HBy A 40 ILE H 1.0 . 4.58 394 364 A 39 LYS HBx A 39 LYS HGx 1.0 . 3.97 395 365 A 41 ILE H A 39 LYS HGy 1.0 . 4.08 396 366 A 39 LYS HGy A 41 ILE HG2% 1.0 . 3.76 397 367 A 54 PHE O A 39 LYS N 1.0 . 3.80 398 368 A 39 LYS O A 54 PHE H 1.0 . 2.80 399 369 A 39 LYS O A 54 PHE N 1.0 . 3.80 400 370 A 40 ILE H A 40 ILE HA 1.0 . 4.88 401 371 A 40 ILE HB A 40 ILE H 1.0 . 3.78 402 372 A 40 ILE HB A 40 ILE HA 1.0 . 4.68 403 373 A 41 ILE H A 40 ILE HA 1.0 . 3.55 404 374 A 40 ILE HB A 40 ILE HG1x 1.0 . 4.45 405 374 A 40 ILE HG1y A 40 ILE HB 1.0 . 4.45 406 375 A 41 ILE H A 40 ILE HB 1.0 . 5.40 407 376 A 41 ILE H A 41 ILE HB 1.0 . 4.02 408 377 A 41 ILE H A 41 ILE HG2% 1.0 . 3.87 409 378 A 41 ILE H A 52 PHE O 1.0 . 2.80 410 379 A 41 ILE HB A 41 ILE HA 1.0 . 4.24 411 380 A 41 ILE HG2% A 41 ILE HA 1.0 . 5.50 412 381 A 41 ILE HA A 42 ASN H 1.0 . 3.27 413 382 A 41 ILE HA A 50 ARG HBy 1.0 . 4.84 414 383 A 41 ILE HB A 41 ILE HG2% 1.0 . 3.44 415 384 A 41 ILE HG2% A 50 ARG H 1.0 . 5.14 416 385 A 41 ILE HG2% A 50 ARG HBx 1.0 . 4.12 417 386 A 41 ILE HG2% A 50 ARG HDy 1.0 . 4.92 418 387 A 41 ILE HG2% A 50 ARG HDx 1.0 . 4.35 419 388 A 41 ILE HG2% A 50 ARG HGx 1.0 . 4.51 420 389 A 52 PHE O A 41 ILE N 1.0 . 3.80 421 390 A 50 ARG H A 41 ILE O 1.0 . 2.80 422 391 A 41 ILE O A 50 ARG N 1.0 . 3.80 423 392 A 41 ILE O A 51 GLY H 1.0 . 2.80 424 393 A 41 ILE O A 51 GLY N 1.0 . 3.80 425 394 A 42 ASN H A 42 ASN HA 1.0 . 4.42 426 395 A 42 ASN H A 42 ASN HBy 1.0 . 4.04 427 396 A 42 ASN H A 42 ASN HBx 1.0 . 4.70 428 397 A 42 ASN HA A 42 ASN HBy 1.0 . 5.20 429 398 A 42 ASN HA A 42 ASN HBx 1.0 . 4.71 430 399 A 42 ASN HA A 43 ASP H 1.0 . 3.66 431 400 A 42 ASN HA A 49 SER HA 1.0 . 4.25 432 401 A 50 ARG H A 42 ASN HA 1.0 . 4.14 433 402 A 42 ASN HBy A 42 ASN HBx 1.0 . 3.91 434 403 A 42 ASN HBx A 43 ASP H 1.0 . 4.50 435 404 A 43 ASP H A 43 ASP HA 1.0 . 4.34 436 405 A 43 ASP H A 43 ASP HBy 1.0 . 4.05 437 406 A 43 ASP H A 43 ASP HBx 1.0 . 3.91 438 407 A 43 ASP H A 48 ARG HDy 1.0 . 4.05 439 408 A 50 ARG HGx A 43 ASP H 1.0 . 4.61 440 409 A 43 ASP HA A 43 ASP HBy 1.0 . 4.80 441 410 A 43 ASP HA A 43 ASP HBx 1.0 . 4.42 442 411 A 43 ASP HA A 44 ARG H 1.0 . 4.17 443 412 A 43 ASP HBy A 43 ASP HBx 1.0 . 3.49 444 413 A 43 ASP HBy A 48 ARG H 1.0 . 4.51 445 414 A 43 ASP HBy A 43 ASP HBx 1.0 . 3.49 446 415 A 43 ASP HBx A 45 GLU HBx 1.0 . 4.57 447 416 A 43 ASP HBx A 48 ARG HBx 1.0 . 4.80 448 417 A 44 ARG H A 44 ARG HA 1.0 . 5.08 449 418 A 44 ARG H A 44 ARG HBx 1.0 . 4.29 450 418 A 44 ARG H A 44 ARG HBy 1.0 . 4.29 451 419 A 44 ARG H A 45 GLU H 1.0 . 4.75 452 420 A 44 ARG HA A 44 ARG HBx 1.0 . 4.01 453 420 A 44 ARG HA A 44 ARG HBy 1.0 . 4.01 454 421 A 44 ARG HA A 44 ARG HGx 1.0 . 4.12 455 421 A 44 ARG HA A 44 ARG HGy 1.0 . 4.12 456 422 A 44 ARG HDy A 44 ARG HGx 1.0 . 4.45 457 422 A 44 ARG HDx A 44 ARG HGx 1.0 . 4.45 458 422 A 44 ARG HGy A 44 ARG HDx 1.0 . 4.45 459 422 A 44 ARG HGy A 44 ARG HDy 1.0 . 4.45 460 423 A 45 GLU H A 45 GLU HA 1.0 . 4.05 461 424 A 45 GLU HBx A 45 GLU H 1.0 . 3.43 462 425 A 45 GLU H A 46 THR H 1.0 . 3.70 463 426 A 45 GLU HA A 45 GLU HBy 1.0 . 4.03 464 427 A 45 GLU HBx A 45 GLU HA 1.0 . 4.77 465 428 A 45 GLU HBx A 46 THR H 1.0 . 4.07 466 429 A 46 THR H A 46 THR HA 1.0 . 4.17 467 430 A 46 THR H A 46 THR HG2% 1.0 . 3.82 468 431 A 46 THR HA A 47 GLY H 1.0 . 4.65 469 432 A 47 GLY H A 47 GLY HAy 1.0 . 3.88 470 433 A 47 GLY H A 47 GLY HAx 1.0 . 3.68 471 434 A 48 ARG H A 47 GLY H 1.0 . 4.08 472 435 A 47 GLY HAy A 47 GLY HAx 1.0 . 3.58 473 436 A 48 ARG H A 48 ARG HA 1.0 . 4.02 474 437 A 48 ARG H A 48 ARG HBy 1.0 . 4.84 475 438 A 48 ARG H A 48 ARG HBx 1.0 . 3.53 476 439 A 48 ARG HA A 48 ARG HBy 1.0 . 4.38 477 440 A 48 ARG HBx A 48 ARG HA 1.0 . 4.38 478 441 A 48 ARG HA A 49 SER H 1.0 . 3.47 479 442 A 48 ARG HBy A 48 ARG HDx 1.0 . 4.84 480 443 A 48 ARG HBy A 49 SER H 1.0 . 4.88 481 444 A 48 ARG HBx A 48 ARG HBy 1.0 . 3.27 482 445 A 48 ARG HBx A 48 ARG HDx 1.0 . 3.84 483 446 A 48 ARG HBx A 49 SER H 1.0 . 4.59 484 447 A 49 SER HA A 49 SER H 1.0 . 4.53 485 448 A 49 SER HBy A 49 SER H 1.0 . 3.88 486 449 A 49 SER HBx A 49 SER H 1.0 . 4.02 487 450 A 49 SER HBy A 49 SER HA 1.0 . 4.19 488 451 A 49 SER HBx A 49 SER HA 1.0 . 4.40 489 452 A 50 ARG H A 49 SER HA 1.0 . 3.47 490 453 A 50 ARG HBy A 50 ARG H 1.0 . 4.75 491 454 A 50 ARG H A 50 ARG HBx 1.0 . 4.39 492 455 A 50 ARG H A 50 ARG HGx 1.0 . 4.24 493 456 A 50 ARG H A 51 GLY H 1.0 . 4.32 494 457 A 50 ARG HBy A 50 ARG HA 1.0 . 4.84 495 458 A 50 ARG HBx A 50 ARG HA 1.0 . 5.22 496 459 A 50 ARG HDy A 50 ARG HA 1.0 . 4.96 497 460 A 50 ARG HGx A 50 ARG HA 1.0 . 4.08 498 461 A 50 ARG HA A 50 ARG HGy 1.0 . 4.91 499 462 A 51 GLY H A 50 ARG HA 1.0 . 4.60 500 463 A 50 ARG HBy A 50 ARG HGx 1.0 . 4.72 501 464 A 50 ARG HBy A 50 ARG HBx 1.0 . 4.30 502 465 A 50 ARG HBx A 50 ARG HGx 1.0 . 4.95 503 466 A 52 PHE H A 50 ARG HBx 1.0 . 5.44 504 467 A 50 ARG HDy A 50 ARG HDx 1.0 . 3.99 505 468 A 50 ARG HDy A 50 ARG HGx 1.0 . 4.75 506 469 A 50 ARG HDx A 50 ARG HGx 1.0 . 3.88 507 470 A 51 GLY H A 51 GLY HAy 1.0 . 3.94 508 471 A 51 GLY HAx A 51 GLY H 1.0 . 3.86 509 472 A 52 PHE H A 51 GLY H 1.0 . 4.14 510 473 A 51 GLY HAx A 51 GLY HAy 1.0 . 3.61 511 474 A 52 PHE H A 51 GLY HAy 1.0 . 4.55 512 475 A 51 GLY HAx A 52 PHE H 1.0 . 4.29 513 476 A 52 PHE H A 52 PHE HA 1.0 . 4.54 514 477 A 52 PHE HBy A 52 PHE HA 1.0 . 4.71 515 478 A 52 PHE HBx A 52 PHE HA 1.0 . 4.53 516 479 A 53 GLY H A 52 PHE HA 1.0 . 3.80 517 480 A 53 GLY H A 52 PHE HBy 1.0 . 4.86 518 481 A 53 GLY H A 52 PHE HBx 1.0 . 4.26 519 482 A 54 PHE H A 53 GLY HAx 1.0 . 4.42 520 482 A 54 PHE H A 53 GLY HAy 1.0 . 4.42 521 483 A 56 SER H A 55 VAL HA 1.0 . 3.45 522 484 A 55 VAL HB A 56 SER H 1.0 . 5.35 523 485 A 55 VAL HGx% A 56 SER H 1.0 . 4.19 524 486 A 56 SER HA A 56 SER H 1.0 . 5.08 525 487 A 56 SER HBx A 56 SER H 1.0 . 4.08 526 488 A 56 SER H A 57 PHE H 1.0 . 5.32 527 489 A 56 SER HA A 56 SER HBy 1.0 . 5.30 528 490 A 56 SER HA A 57 PHE H 1.0 . 3.67 529 491 A 57 PHE HA A 57 PHE H 1.0 . 4.17 530 492 A 57 PHE H A 57 PHE HBy 1.0 . 4.60 531 493 A 57 PHE HA A 57 PHE HBy 1.0 . 4.50 532 494 A 57 PHE HA A 57 PHE HBx 1.0 . 4.60 533 495 A 57 PHE HA A 58 SER H 1.0 . 3.94 534 496 A 58 SER H A 57 PHE HBy 1.0 . 4.20 535 497 A 57 PHE HBy A 59 ASN H 1.0 . 4.02 536 498 A 62 ALA HB% A 57 PHE HBy 1.0 . 4.40 537 499 A 57 PHE HBy A 57 PHE HBx 1.0 . 4.46 538 500 A 58 SER H A 57 PHE HBx 1.0 . 4.97 539 501 A 57 PHE HBx A 59 ASN H 1.0 . 4.51 540 502 A 58 SER HA A 58 SER H 1.0 . 4.27 541 503 A 58 SER H A 58 SER HBy 1.0 . 4.67 542 504 A 58 SER H A 58 SER HBx 1.0 . 4.27 543 505 A 58 SER H A 59 ASN H 1.0 . 4.25 544 506 A 58 SER HA A 58 SER HBy 1.0 . 4.22 545 507 A 58 SER HA A 58 SER HBx 1.0 . 4.38 546 508 A 58 SER HBy A 58 SER HBx 1.0 . 3.53 547 509 A 59 ASN H A 59 ASN HA 1.0 . 4.65 548 510 A 59 ASN H A 59 ASN HBy 1.0 . 4.66 549 511 A 59 ASN HA A 59 ASN HBy 1.0 . 4.23 550 512 A 59 ASN HA A 60 GLU H 1.0 . 3.48 551 513 A 59 ASN HBy A 60 GLU H 1.0 . 3.81 552 514 A 59 ASN HBy A 61 GLN H 1.0 . 4.95 553 515 A 59 ASN HBx A 60 GLU HBy 1.0 . 5.26 554 516 A 59 ASN O A 63 MET H 1.0 . 2.80 555 517 A 59 ASN O A 63 MET N 1.0 . 3.80 556 518 A 60 GLU HA A 60 GLU H 1.0 . 4.19 557 519 A 60 GLU H A 60 GLU HBy 1.0 . 3.84 558 520 A 60 GLU H A 60 GLU HBx 1.0 . 3.77 559 521 A 60 GLU H A 60 GLU HGx 1.0 . 4.85 560 521 A 60 GLU H A 60 GLU HGy 1.0 . 4.85 561 522 A 60 GLU H A 61 GLN H 1.0 . 4.39 562 523 A 60 GLU HA A 60 GLU HBy 1.0 . 5.41 563 524 A 60 GLU HA A 60 GLU HBx 1.0 . 5.42 564 525 A 60 GLU HA A 60 GLU HGx 1.0 . 4.74 565 525 A 60 GLU HA A 60 GLU HGy 1.0 . 4.74 566 526 A 60 GLU HBy A 60 GLU HBx 1.0 . 4.33 567 527 A 60 GLU HBy A 60 GLU HGx 1.0 . 4.82 568 527 A 60 GLU HBy A 60 GLU HGy 1.0 . 4.82 569 528 A 61 GLN H A 60 GLU HBy 1.0 . 4.21 570 529 A 60 GLU O A 64 GLN H 1.0 . 2.80 571 530 A 60 GLU O A 64 GLN N 1.0 . 3.80 572 531 A 61 GLN H A 61 GLN HA 1.0 . 4.12 573 532 A 61 GLN H A 61 GLN HBy 1.0 . 3.52 574 533 A 61 GLN H A 61 GLN HBx 1.0 . 3.95 575 534 A 61 GLN H A 62 ALA H 1.0 . 3.98 576 535 A 61 GLN HA A 61 GLN HBy 1.0 . 4.70 577 536 A 61 GLN HA A 61 GLN HBx 1.0 . 4.63 578 537 A 61 GLN HA A 61 GLN HGx 1.0 . 4.39 579 537 A 61 GLN HA A 61 GLN HGy 1.0 . 4.39 580 538 A 61 GLN HBy A 61 GLN HGx 1.0 . 3.72 581 538 A 61 GLN HBy A 61 GLN HGy 1.0 . 3.72 582 539 A 61 GLN HBy A 62 ALA H 1.0 . 4.56 583 540 A 61 GLN HBx A 61 GLN HGx 1.0 . 3.72 584 540 A 61 GLN HBx A 61 GLN HGy 1.0 . 3.72 585 541 A 61 GLN HBx A 62 ALA H 1.0 . 4.31 586 542 A 61 GLN O A 65 ASP H 1.0 . 2.80 587 543 A 61 GLN O A 65 ASP N 1.0 . 3.80 588 544 A 62 ALA HA A 62 ALA H 1.0 . 4.02 589 545 A 62 ALA HB% A 62 ALA H 1.0 . 3.43 590 546 A 63 MET H A 62 ALA H 1.0 . 4.30 591 547 A 62 ALA HA A 65 ASP H 1.0 . 4.35 592 548 A 62 ALA HA A 65 ASP HBx 1.0 . 5.04 593 549 A 62 ALA O A 66 ALA H 1.0 . 2.80 594 550 A 62 ALA O A 66 ALA N 1.0 . 3.80 595 551 A 62 ALA HA A 62 ALA HB% 1.0 . 3.75 596 552 A 62 ALA HB% A 63 MET H 1.0 . 4.18 597 553 A 63 MET H A 63 MET HA 1.0 . 4.11 598 554 A 63 MET H A 64 GLN H 1.0 . 4.29 599 555 A 66 ALA H A 63 MET HA 1.0 . 5.07 600 556 A 63 MET HA A 66 ALA HB1 1.0 . 4.49 601 557 A 63 MET O A 67 ILE H 1.0 . 2.80 602 558 A 63 MET O A 67 ILE N 1.0 . 3.80 603 559 A 64 GLN H A 64 GLN HA 1.0 . 4.00 604 560 A 64 GLN H A 64 GLN HBy 1.0 . 3.86 605 561 A 64 GLN H A 64 GLN HBx 1.0 . 3.60 606 562 A 64 GLN H A 65 ASP H 1.0 . 4.56 607 563 A 64 GLN H A 66 ALA H 1.0 . 3.95 608 564 A 64 GLN HA A 64 GLN HBy 1.0 . 4.17 609 565 A 64 GLN HA A 64 GLN HBx 1.0 . 4.26 610 566 A 67 ILE H A 64 GLN HA 1.0 . 5.24 611 567 A 64 GLN HA A 67 ILE HB 1.0 . 4.13 612 568 A 64 GLN HA A 67 ILE HG2% 1.0 . 5.02 613 569 A 64 GLN HBy A 64 GLN HBx 1.0 . 3.85 614 570 A 65 ASP H A 64 GLN HBy 1.0 . 5.31 615 571 A 65 ASP H A 64 GLN HBx 1.0 . 3.89 616 572 A 64 GLN HBx A 68 GLU H 1.0 . 4.79 617 573 A 68 GLU H A 64 GLN O 1.0 . 2.80 618 574 A 64 GLN O A 68 GLU N 1.0 . 3.80 619 575 A 65 ASP H A 65 ASP HA 1.0 . 4.04 620 576 A 65 ASP H A 65 ASP HBy 1.0 . 3.78 621 577 A 65 ASP H A 65 ASP HBx 1.0 . 4.56 622 578 A 65 ASP H A 66 ALA H 1.0 . 4.30 623 579 A 66 ALA H A 65 ASP HBy 1.0 . 4.28 624 580 A 65 ASP HBx A 66 ALA H 1.0 . 4.69 625 581 A 65 ASP O A 69 GLY H 1.0 . 2.80 626 582 A 65 ASP O A 69 GLY N 1.0 . 3.80 627 583 A 66 ALA H A 66 ALA HA 1.0 . 4.08 628 584 A 66 ALA H A 66 ALA HB1 1.0 . 3.46 629 585 A 66 ALA HB1 A 66 ALA HA 1.0 . 4.04 630 586 A 69 GLY H A 66 ALA HA 1.0 . 3.80 631 587 A 66 ALA HA A 70 MET HGx 1.0 . 5.05 632 587 A 66 ALA HA A 70 MET HGy 1.0 . 5.05 633 588 A 66 ALA HB1 A 67 ILE H 1.0 . 4.39 634 589 A 66 ALA O A 70 MET H 1.0 . 2.80 635 590 A 66 ALA O A 70 MET N 1.0 . 3.80 636 591 A 67 ILE H A 67 ILE HA 1.0 . 4.52 637 592 A 67 ILE H A 67 ILE HB 1.0 . 3.71 638 593 A 67 ILE H A 67 ILE HG2% 1.0 . 4.23 639 594 A 67 ILE H A 70 MET HGx 1.0 . 4.06 640 594 A 67 ILE H A 70 MET HGy 1.0 . 4.06 641 595 A 67 ILE HB A 67 ILE HA 1.0 . 4.74 642 596 A 67 ILE HA A 67 ILE HD1% 1.0 . 4.51 643 597 A 67 ILE HG2% A 67 ILE HA 1.0 . 4.01 644 598 A 67 ILE HA A 82 VAL HB 1.0 . 4.27 645 599 A 82 VAL HG11 A 67 ILE HA 1.0 . 4.00 646 600 A 82 VAL HG11 A 67 ILE HD1% 1.0 . 4.54 647 601 A 67 ILE O A 71 ASN H 1.0 . 2.80 648 602 A 67 ILE O A 71 ASN N 1.0 . 3.80 649 603 A 67 ILE HB A 67 ILE HG2% 1.0 . 4.34 650 604 A 67 ILE HG2% A 82 VAL HB 1.0 . 4.25 651 605 A 67 ILE HG2% A 83 ASN HA 1.0 . 4.38 652 606 A 84 GLU H A 67 ILE HG2% 1.0 . 4.87 653 607 A 84 GLU HA A 67 ILE HG2% 1.0 . 5.34 654 608 A 68 GLU H A 68 GLU HA 1.0 . 4.12 655 609 A 68 GLU H A 69 GLY H 1.0 . 4.51 656 610 A 68 GLU HA A 68 GLU HBx 1.0 . 4.67 657 611 A 69 GLY H A 69 GLY HAy 1.0 . 3.80 658 612 A 69 GLY H A 69 GLY HAx 1.0 . 3.64 659 613 A 69 GLY H A 70 MET H 1.0 . 4.45 660 614 A 70 MET H A 69 GLY HAy 1.0 . 5.33 661 615 A 69 GLY HAy A 69 GLY HAx 1.0 . 3.72 662 616 A 70 MET H A 69 GLY HAx 1.0 . 5.17 663 617 A 70 MET H A 70 MET HA 1.0 . 4.57 664 618 A 70 MET H A 70 MET HBx 1.0 . 4.90 665 619 A 70 MET H A 70 MET HGx 1.0 . 3.92 666 619 A 70 MET HGy A 70 MET H 1.0 . 3.92 667 620 A 70 MET H A 71 ASN H 1.0 . 2.98 668 621 A 70 MET HA A 70 MET HBx 1.0 . 4.57 669 622 A 70 MET HA A 70 MET HGx 1.0 . 4.56 670 622 A 70 MET HGy A 70 MET HA 1.0 . 4.56 671 623 A 70 MET HBx A 73 LYS H 1.0 . 4.88 672 624 A 82 VAL HA A 70 MET HBx 1.0 . 4.92 673 625 A 82 VAL HG11 A 70 MET HBx 1.0 . 4.54 674 626 A 71 ASN H A 71 ASN HA 1.0 . 4.28 675 627 A 71 ASN H A 71 ASN HBy 1.0 . 3.64 676 628 A 71 ASN H A 71 ASN HBx 1.0 . 3.78 677 629 A 82 VAL HB A 71 ASN H 1.0 . 5.50 678 630 A 71 ASN HA A 71 ASN HBy 1.0 . 4.41 679 631 A 71 ASN HA A 71 ASN HBx 1.0 . 4.49 680 632 A 71 ASN HA A 72 GLY H 1.0 . 3.52 681 633 A 71 ASN HA A 72 GLY HAx 1.0 . 4.86 682 634 A 71 ASN HA A 81 VAL HA 1.0 . 4.95 683 635 A 71 ASN HA A 81 VAL HGy% 1.0 . 4.80 684 636 A 71 ASN HA A 82 VAL H 1.0 . 4.35 685 637 A 82 VAL HB A 71 ASN HA 1.0 . 5.50 686 638 A 71 ASN HBy A 82 VAL H 1.0 . 5.19 687 639 A 71 ASN HBy A 71 ASN HBx 1.0 . 3.65 688 640 A 72 GLY H A 72 GLY HAy 1.0 . 4.22 689 641 A 72 GLY H A 72 GLY HAx 1.0 . 3.86 690 642 A 73 LYS H A 72 GLY H 1.0 . 4.74 691 643 A 72 GLY H A 80 ILE O 1.0 . 2.80 692 644 A 72 GLY H A 81 VAL HA 1.0 . 4.58 693 645 A 82 VAL HG11 A 72 GLY H 1.0 . 4.65 694 646 A 80 ILE O A 72 GLY N 1.0 . 3.80 695 647 A 73 LYS H A 73 LYS HA 1.0 . 4.42 696 648 A 73 LYS HA A 74 GLU H 1.0 . 3.31 697 649 A 75 LEU HDx% A 73 LYS HBx 1.0 . 3.77 698 650 A 73 LYS HBx A 80 ILE H 1.0 . 5.50 699 651 A 80 ILE H A 73 LYS O 1.0 . 2.80 700 652 A 73 LYS O A 80 ILE N 1.0 . 3.80 701 653 A 74 GLU H A 74 GLU HA 1.0 . 4.81 702 654 A 74 GLU H A 74 GLU HBx 1.0 . 3.05 703 654 A 74 GLU H A 74 GLU HBy 1.0 . 3.05 704 655 A 74 GLU H A 74 GLU HGx 1.0 . 4.86 705 655 A 74 GLU H A 74 GLU HGy 1.0 . 4.86 706 656 A 74 GLU HA A 74 GLU HBx 1.0 . 4.62 707 656 A 74 GLU HA A 74 GLU HBy 1.0 . 4.62 708 657 A 74 GLU HA A 74 GLU HGx 1.0 . 5.00 709 657 A 74 GLU HA A 74 GLU HGy 1.0 . 5.00 710 658 A 74 GLU HA A 75 LEU H 1.0 . 3.30 711 659 A 74 GLU HA A 77 GLY H 1.0 . 5.37 712 660 A 74 GLU HA A 78 ARG H 1.0 . 4.22 713 661 A 74 GLU HA A 79 SER HA 1.0 . 3.70 714 662 A 80 ILE H A 74 GLU HA 1.0 . 5.50 715 663 A 74 GLU HBx A 74 GLU HGx 1.0 . 3.12 716 663 A 74 GLU HBy A 74 GLU HGx 1.0 . 3.12 717 663 A 74 GLU HGy A 74 GLU HBx 1.0 . 3.12 718 663 A 74 GLU HBy A 74 GLU HGy 1.0 . 3.12 719 664 A 75 LEU H A 75 LEU HA 1.0 . 4.20 720 665 A 75 LEU H A 75 LEU HBy 1.0 . 3.70 721 666 A 75 LEU H A 75 LEU HBx 1.0 . 4.93 722 667 A 75 LEU H A 78 ARG H 1.0 . 4.25 723 668 A 75 LEU H A 79 SER HA 1.0 . 4.21 724 669 A 75 LEU HA A 75 LEU HBy 1.0 . 4.71 725 670 A 75 LEU HA A 75 LEU HBx 1.0 . 4.49 726 671 A 75 LEU HDx% A 75 LEU HA 1.0 . 4.24 727 672 A 75 LEU HA A 75 LEU HG 1.0 . 5.13 728 673 A 75 LEU HA A 76 ASP H 1.0 . 3.73 729 674 A 75 LEU HDx% A 75 LEU HBy 1.0 . 4.36 730 675 A 75 LEU HBy A 75 LEU HG 1.0 . 5.09 731 676 A 77 GLY H A 75 LEU HBy 1.0 . 5.50 732 677 A 75 LEU HBy A 75 LEU HBx 1.0 . 3.93 733 678 A 75 LEU HDx% A 75 LEU HBx 1.0 . 4.47 734 679 A 75 LEU HBx A 75 LEU HG 1.0 . 5.34 735 680 A 75 LEU HDx% A 76 ASP H 1.0 . 4.56 736 681 A 75 LEU HDx% A 75 LEU HG 1.0 . 3.82 737 682 A 76 ASP H A 76 ASP HA 1.0 . 3.67 738 683 A 77 GLY H A 76 ASP H 1.0 . 4.93 739 684 A 76 ASP HA A 76 ASP HBy 1.0 . 4.04 740 685 A 76 ASP HBx A 76 ASP HA 1.0 . 4.47 741 686 A 77 GLY H A 76 ASP HA 1.0 . 3.67 742 687 A 77 GLY H A 77 GLY HAy 1.0 . 3.83 743 688 A 77 GLY H A 77 GLY HAx 1.0 . 3.51 744 689 A 77 GLY H A 78 ARG H 1.0 . 4.40 745 690 A 78 ARG H A 77 GLY HAy 1.0 . 4.75 746 691 A 77 GLY HAy A 77 GLY HAx 1.0 . 3.54 747 692 A 78 ARG H A 77 GLY HAx 1.0 . 4.98 748 693 A 78 ARG H A 78 ARG HA 1.0 . 4.21 749 694 A 78 ARG H A 78 ARG HBy 1.0 . 4.26 750 695 A 78 ARG H A 78 ARG HBx 1.0 . 3.93 751 696 A 78 ARG HGx A 78 ARG H 1.0 . 4.08 752 697 A 78 ARG HA A 78 ARG HBy 1.0 . 4.47 753 698 A 78 ARG HA A 78 ARG HGy 1.0 . 3.89 754 699 A 78 ARG HGx A 78 ARG HA 1.0 . 4.11 755 700 A 78 ARG HA A 78 ARG HDx 1.0 . 4.07 756 700 A 78 ARG HA A 78 ARG HDy 1.0 . 4.07 757 701 A 78 ARG HBy A 78 ARG HDx 1.0 . 4.65 758 701 A 78 ARG HBy A 78 ARG HDy 1.0 . 4.65 759 702 A 78 ARG HBy A 79 SER H 1.0 . 4.28 760 703 A 78 ARG HBy A 78 ARG HBx 1.0 . 3.51 761 704 A 78 ARG HBx A 79 SER H 1.0 . 4.86 762 705 A 78 ARG HGx A 78 ARG HDx 1.0 . 4.39 763 705 A 78 ARG HGx A 78 ARG HDy 1.0 . 4.39 764 706 A 80 ILE H A 79 SER HA 1.0 . 3.42 765 707 A 80 ILE HA A 80 ILE HG1x 1.0 . 4.37 766 707 A 80 ILE HA A 80 ILE HG1y 1.0 . 4.37 767 708 A 80 ILE HA A 81 VAL HGy% 1.0 . 4.11 768 709 A 81 VAL H A 81 VAL HA 1.0 . 3.49 769 710 A 81 VAL H A 81 VAL HB 1.0 . 4.22 770 711 A 81 VAL H A 81 VAL HGy% 1.0 . 3.86 771 712 A 81 VAL HB A 81 VAL HA 1.0 . 4.49 772 713 A 81 VAL HA A 81 VAL HGy% 1.0 . 3.87 773 714 A 81 VAL HA A 82 VAL H 1.0 . 3.39 774 715 A 81 VAL HB A 81 VAL HGy% 1.0 . 3.67 775 716 A 81 VAL HGy% A 82 VAL H 1.0 . 3.88 776 717 A 82 VAL HA A 82 VAL H 1.0 . 5.28 777 718 A 82 VAL HB A 82 VAL H 1.0 . 4.41 778 719 A 82 VAL HG11 A 82 VAL H 1.0 . 3.88 779 720 A 82 VAL HA A 82 VAL HB 1.0 . 4.68 780 721 A 82 VAL HG11 A 82 VAL HA 1.0 . 4.15 781 722 A 83 ASN H A 82 VAL HA 1.0 . 3.35 782 723 A 82 VAL HG11 A 82 VAL HB 1.0 . 3.73 783 724 A 83 ASN H A 83 ASN HA 1.0 . 4.57 784 725 A 83 ASN H A 83 ASN HBx 1.0 . 4.59 785 726 A 84 GLU H A 83 ASN H 1.0 . 4.52 786 727 A 83 ASN HA A 83 ASN HBy 1.0 . 4.25 787 728 A 83 ASN HA A 83 ASN HBx 1.0 . 4.40 788 729 A 84 GLU H A 83 ASN HA 1.0 . 3.74 789 730 A 83 ASN HBx A 83 ASN HBy 1.0 . 3.62 790 731 A 84 GLU H A 83 ASN HBy 1.0 . 4.51 791 732 A 83 ASN HBy A 84 GLU HGx 1.0 . 3.40 792 733 A 84 GLU H A 83 ASN HBx 1.0 . 3.87 793 734 A 84 GLU HA A 84 GLU H 1.0 . 4.66 794 735 A 84 GLU H A 84 GLU HBx 1.0 . 3.51 795 735 A 84 GLU H A 84 GLU HBy 1.0 . 3.51 796 736 A 84 GLU HA A 84 GLU HGy 1.0 . 5.06 797 737 A 84 GLU HA A 84 GLU HBx 1.0 . 3.85 798 737 A 84 GLU HA A 84 GLU HBy 1.0 . 3.85 799 738 A 85 ALA H A 84 GLU HA 1.0 . 3.48 800 739 A 84 GLU HGx A 84 GLU HGy 1.0 . 3.37 801 740 A 84 GLU HGy A 84 GLU HBx 1.0 . 4.71 802 740 A 84 GLU HBy A 84 GLU HGy 1.0 . 4.71 803 741 A 85 ALA H A 84 GLU HBx 1.0 . 5.03 804 741 A 85 ALA H A 84 GLU HBy 1.0 . 5.03 805 742 A 85 ALA H A 85 ALA HB1 1.0 . 3.84 806 743 A 85 ALA HB1 A 85 ALA HA 1.0 . 3.92 807 744 A 85 ALA HB1 A 86 GLN H 1.0 . 5.14 808 745 A 86 GLN H A 86 GLN HGx 1.0 . 5.22 809 745 A 86 GLN H A 86 GLN HGy 1.0 . 5.22 810 746 A 86 GLN HA A 86 GLN HGx 1.0 . 4.09 811 746 A 86 GLN HA A 86 GLN HGy 1.0 . 4.09 812 747 A 86 GLN HA A 87 SER H 1.0 . 4.85 813 748 A 87 SER HA A 87 SER HBx 1.0 . 4.71 814 748 A 87 SER HA A 87 SER HBy 1.0 . 4.71 815 749 A 88 ARG HA A 88 ARG HBx 1.0 . 4.46 816 749 A 88 ARG HA A 88 ARG HBy 1.0 . 4.46 817 750 A 88 ARG HA A 88 ARG HGx 1.0 . 4.65 818 750 A 88 ARG HA A 88 ARG HGy 1.0 . 4.65 819 751 A 88 ARG HDx A 88 ARG HGx 1.0 . 4.15 820 751 A 88 ARG HDy A 88 ARG HGx 1.0 . 4.15 821 751 A 88 ARG HGy A 88 ARG HDx 1.0 . 4.15 822 751 A 88 ARG HGy A 88 ARG HDy 1.0 . 4.15 823 752 A 89 GLY H A 89 GLY HAx 1.0 . 4.64 824 752 A 89 GLY H A 89 GLY HAy 1.0 . 4.64 825 753 A 90 TYR HA A 90 TYR HBx 1.0 . 4.68 826 753 A 90 TYR HA A 90 TYR HBy 1.0 . 4.68 827 754 A 90 TYR HA A 91 GLY H 1.0 . 5.30 828 755 A 91 GLY H A 91 GLY HAx 1.0 . 4.00 829 755 A 91 GLY H A 91 GLY HAy 1.0 . 4.00 830 756 A 92 GLY H A 91 GLY HAx 1.0 . 4.81 831 756 A 91 GLY HAy A 92 GLY H 1.0 . 4.81 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 ALA N A 2 ALA CA A 2 ALA C 1.0 -145.0 -19.0 PHI 2 2 A 2 ALA N A 2 ALA CA A 2 ALA C A 3 GLU N 1.0 80.0 186.0 PSI 3 3 A 2 ALA C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -115.0 -31.0 PHI 4 4 A 3 GLU N A 3 GLU CA A 3 GLU C A 4 SER N 1.0 74.0 162.0 PSI 5 5 A 3 GLU C A 4 SER N A 4 SER CA A 4 SER C 1.0 -139.0 21.0 PHI 6 6 A 4 SER N A 4 SER CA A 4 SER C A 5 ASP N 1.0 67.0 195.0 PSI 7 7 A 4 SER C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 -112.0 -40.0 PHI 8 8 A 5 ASP N A 5 ASP CA A 5 ASP C A 6 GLY N 1.0 -70.0 6.0 PSI 9 9 A 5 ASP C A 6 GLY N A 6 GLY CA A 6 GLY C 1.0 -102.0 -30.0 PHI 10 10 A 6 GLY N A 6 GLY CA A 6 GLY C A 7 ALA N 1.0 -54.0 -14.0 PSI 11 11 A 6 GLY C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -162.0 -10.0 PHI 12 12 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 GLU N 1.0 48.0 208.0 PSI 13 13 A 7 ALA C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -137.0 -41.0 PHI 14 14 A 8 GLU N A 8 GLU CA A 8 GLU C A 9 TYR N 1.0 105.0 165.0 PSI 15 15 A 8 GLU C A 9 TYR N A 9 TYR CA A 9 TYR C 1.0 -139.0 -47.0 PHI 16 16 A 9 TYR N A 9 TYR CA A 9 TYR C A 10 ARG N 1.0 68.0 182.0 PSI 17 17 A 9 TYR C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -142.0 -94.0 PHI 18 18 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 CYS N 1.0 118.0 166.0 PSI 19 19 A 10 ARG C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -148.0 -84.0 PHI 20 20 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 PHE N 1.0 107.0 155.0 PSI 21 21 A 11 CYS C A 12 PHE N A 12 PHE CA A 12 PHE C 1.0 -137.0 -73.0 PHI 22 22 A 12 PHE N A 12 PHE CA A 12 PHE C A 13 VAL N 1.0 93.0 153.0 PSI 23 23 A 12 PHE C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -141.0 -97.0 PHI 24 24 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 GLY N 1.0 100.0 144.0 PSI 25 25 A 13 VAL C A 14 GLY N A 14 GLY CA A 14 GLY C 1.0 -180.0 -40.0 PHI 26 26 A 14 GLY N A 14 GLY CA A 14 GLY C A 15 SER N 1.0 120.0 206.0 PSI 27 27 A 15 SER C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -195.0 -55.0 PHI 28 28 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 SER N 1.0 111.0 207.0 PSI 29 29 A 16 LEU C A 17 SER N A 17 SER CA A 17 SER C 1.0 -168.0 -28.0 PHI 30 30 A 17 SER N A 17 SER CA A 17 SER C A 18 TRP N 1.0 73.0 185.0 PSI 31 31 A 17 SER C A 18 TRP N A 18 TRP CA A 18 TRP C 1.0 -83.0 -43.0 PHI 32 32 A 18 TRP N A 18 TRP CA A 18 TRP C A 19 ASN N 1.0 -53.0 -5.0 PSI 33 33 A 18 TRP C A 19 ASN N A 19 ASN CA A 19 ASN C 1.0 -127.0 -67.0 PHI 34 34 A 19 ASN N A 19 ASN CA A 19 ASN C A 20 THR N 1.0 -38.0 46.0 PSI 35 35 A 19 ASN C A 20 THR N A 20 THR CA A 20 THR C 1.0 -89.0 -49.0 PHI 36 36 A 20 THR N A 20 THR CA A 20 THR C A 21 ASP N 1.0 115.0 155.0 PSI 37 37 A 20 THR C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -148.0 -76.0 PHI 38 38 A 21 ASP N A 21 ASP CA A 21 ASP C A 22 ASP N 1.0 142.0 214.0 PSI 39 39 A 21 ASP C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -80.0 -40.0 PHI 40 40 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 ARG N 1.0 -61.0 -21.0 PSI 41 41 A 22 ASP C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -84.0 -44.0 PHI 42 42 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 GLY N 1.0 -57.0 -17.0 PSI 43 43 A 23 ARG C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 -85.0 -45.0 PHI 44 44 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 LEU N 1.0 -60.0 -20.0 PSI 45 45 A 24 GLY C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -84.0 -44.0 PHI 46 46 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 GLU N 1.0 -62.0 -22.0 PSI 47 47 A 25 LEU C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -81.0 -41.0 PHI 48 48 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 ALA N 1.0 -67.0 -27.0 PSI 49 49 A 26 GLU C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -79.0 -39.0 PHI 50 50 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 ALA N 1.0 -61.0 -21.0 PSI 51 51 A 27 ALA C A 28 ALA N A 28 ALA CA A 28 ALA C 1.0 -90.0 -50.0 PHI 52 52 A 28 ALA N A 28 ALA CA A 28 ALA C A 29 PHE N 1.0 -56.0 -16.0 PSI 53 53 A 28 ALA C A 29 PHE N A 29 PHE CA A 29 PHE C 1.0 -101.0 -41.0 PHI 54 54 A 29 PHE N A 29 PHE CA A 29 PHE C A 30 SER N 1.0 -66.0 6.0 PSI 55 55 A 29 PHE C A 30 SER N A 30 SER CA A 30 SER C 1.0 -86.0 -46.0 PHI 56 56 A 30 SER N A 30 SER CA A 30 SER C A 31 SER N 1.0 -61.0 -21.0 PSI 57 57 A 30 SER C A 31 SER N A 31 SER CA A 31 SER C 1.0 -86.0 -46.0 PHI 58 58 A 31 SER N A 31 SER CA A 31 SER C A 32 PHE N 1.0 -50.0 -10.0 PSI 59 59 A 31 SER C A 32 PHE N A 32 PHE CA A 32 PHE C 1.0 -95.0 -55.0 PHI 60 60 A 32 PHE N A 32 PHE CA A 32 PHE C A 33 GLY N 1.0 -62.0 -14.0 PSI 61 61 A 33 GLY C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -108.0 -52.0 PHI 62 62 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 ILE N 1.0 108.0 148.0 PSI 63 63 A 34 GLU C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -146.0 -42.0 PHI 64 64 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 LEU N 1.0 76.0 156.0 PSI 65 65 A 35 ILE C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -114.0 -62.0 PHI 66 66 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 ASP N 1.0 -57.0 -13.0 PSI 67 67 A 36 LEU C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -183.0 -135.0 PHI 68 68 A 37 ASP N A 37 ASP CA A 37 ASP C A 38 ALA N 1.0 117.0 177.0 PSI 69 69 A 37 ASP C A 38 ALA N A 38 ALA CA A 38 ALA C 1.0 -148.0 -96.0 PHI 70 70 A 38 ALA N A 38 ALA CA A 38 ALA C A 39 LYS N 1.0 100.0 148.0 PSI 71 71 A 38 ALA C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -152.0 -104.0 PHI 72 72 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 ILE N 1.0 121.0 165.0 PSI 73 73 A 39 LYS C A 40 ILE N A 40 ILE CA A 40 ILE C 1.0 -137.0 -69.0 PHI 74 74 A 40 ILE N A 40 ILE CA A 40 ILE C A 41 ILE N 1.0 101.0 153.0 PSI 75 75 A 40 ILE C A 41 ILE N A 41 ILE CA A 41 ILE C 1.0 -132.0 -60.0 PHI 76 76 A 41 ILE N A 41 ILE CA A 41 ILE C A 42 ASN N 1.0 68.0 160.0 PSI 77 77 A 41 ILE C A 42 ASN N A 42 ASN CA A 42 ASN C 1.0 -157.0 -85.0 PHI 78 78 A 42 ASN N A 42 ASN CA A 42 ASN C A 43 ASP N 1.0 97.0 237.0 PSI 79 79 A 42 ASN C A 43 ASP N A 43 ASP CA A 43 ASP C 1.0 -132.0 -40.0 PHI 80 80 A 43 ASP N A 43 ASP CA A 43 ASP C A 44 ARG N 1.0 90.0 166.0 PSI 81 81 A 43 ASP C A 44 ARG N A 44 ARG CA A 44 ARG C 1.0 -77.0 -37.0 PHI 82 82 A 44 ARG N A 44 ARG CA A 44 ARG C A 45 GLU N 1.0 -61.0 -5.0 PSI 83 83 A 44 ARG C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -103.0 -55.0 PHI 84 84 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 THR N 1.0 -67.0 9.0 PSI 85 85 A 45 GLU C A 46 THR N A 46 THR CA A 46 THR C 1.0 -122.0 -70.0 PHI 86 86 A 46 THR N A 46 THR CA A 46 THR C A 47 GLY N 1.0 -30.0 14.0 PSI 87 87 A 46 THR C A 47 GLY N A 47 GLY CA A 47 GLY C 1.0 51.0 135.0 PHI 88 88 A 47 GLY N A 47 GLY CA A 47 GLY C A 48 ARG N 1.0 -22.0 30.0 PSI 89 89 A 47 GLY C A 48 ARG N A 48 ARG CA A 48 ARG C 1.0 -119.0 -47.0 PHI 90 90 A 48 ARG N A 48 ARG CA A 48 ARG C A 49 SER N 1.0 72.0 196.0 PSI 91 91 A 48 ARG C A 49 SER N A 49 SER CA A 49 SER C 1.0 -141.0 -1.0 PHI 92 92 A 49 SER N A 49 SER CA A 49 SER C A 50 ARG N 1.0 85.0 185.0 PSI 93 93 A 49 SER C A 50 ARG N A 50 ARG CA A 50 ARG C 1.0 -127.0 -71.0 PHI 94 94 A 50 ARG N A 50 ARG CA A 50 ARG C A 51 GLY N 1.0 -99.0 33.0 PSI 95 95 A 50 ARG C A 51 GLY N A 51 GLY CA A 51 GLY C 1.0 49.0 109.0 PHI 96 96 A 51 GLY N A 51 GLY CA A 51 GLY C A 52 PHE N 1.0 -32.0 60.0 PSI 97 97 A 51 GLY C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -170.0 -86.0 PHI 98 98 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 GLY N 1.0 104.0 200.0 PSI 99 99 A 53 GLY C A 54 PHE N A 54 PHE CA A 54 PHE C 1.0 -115.0 -67.0 PHI 100 100 A 54 PHE N A 54 PHE CA A 54 PHE C A 55 VAL N 1.0 71.0 195.0 PSI 101 101 A 54 PHE C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -157.0 -85.0 PHI 102 102 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 SER N 1.0 114.0 162.0 PSI 103 103 A 55 VAL C A 56 SER N A 56 SER CA A 56 SER C 1.0 -149.0 -97.0 PHI 104 104 A 56 SER N A 56 SER CA A 56 SER C A 57 PHE N 1.0 113.0 165.0 PSI 105 105 A 56 SER C A 57 PHE N A 57 PHE CA A 57 PHE C 1.0 -192.0 -52.0 PHI 106 106 A 57 PHE N A 57 PHE CA A 57 PHE C A 58 SER N 1.0 131.0 183.0 PSI 107 107 A 57 PHE C A 58 SER N A 58 SER CA A 58 SER C 1.0 -132.0 -48.0 PHI 108 108 A 58 SER N A 58 SER CA A 58 SER C A 59 ASN N 1.0 -56.0 20.0 PSI 109 109 A 58 SER C A 59 ASN N A 59 ASN CA A 59 ASN C 1.0 -199.0 -75.0 PHI 110 110 A 59 ASN N A 59 ASN CA A 59 ASN C A 60 GLU N 1.0 123.0 187.0 PSI 111 111 A 59 ASN C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -85.0 -45.0 PHI 112 112 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 GLN N 1.0 -56.0 -16.0 PSI 113 113 A 60 GLU C A 61 GLN N A 61 GLN CA A 61 GLN C 1.0 -83.0 -43.0 PHI 114 114 A 61 GLN N A 61 GLN CA A 61 GLN C A 62 ALA N 1.0 -60.0 -20.0 PSI 115 115 A 61 GLN C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -85.0 -45.0 PHI 116 116 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 MET N 1.0 -62.0 -22.0 PSI 117 117 A 62 ALA C A 63 MET N A 63 MET CA A 63 MET C 1.0 -82.0 -42.0 PHI 118 118 A 63 MET N A 63 MET CA A 63 MET C A 64 GLN N 1.0 -62.0 -22.0 PSI 119 119 A 63 MET C A 64 GLN N A 64 GLN CA A 64 GLN C 1.0 -82.0 -42.0 PHI 120 120 A 64 GLN N A 64 GLN CA A 64 GLN C A 65 ASP N 1.0 -59.0 -19.0 PSI 121 121 A 64 GLN C A 65 ASP N A 65 ASP CA A 65 ASP C 1.0 -86.0 -46.0 PHI 122 122 A 65 ASP N A 65 ASP CA A 65 ASP C A 66 ALA N 1.0 -59.0 -19.0 PSI 123 123 A 65 ASP C A 66 ALA N A 66 ALA CA A 66 ALA C 1.0 -86.0 -46.0 PHI 124 124 A 66 ALA N A 66 ALA CA A 66 ALA C A 67 ILE N 1.0 -63.0 -23.0 PSI 125 125 A 66 ALA C A 67 ILE N A 67 ILE CA A 67 ILE C 1.0 -83.0 -43.0 PHI 126 126 A 67 ILE N A 67 ILE CA A 67 ILE C A 68 GLU N 1.0 -63.0 -23.0 PSI 127 127 A 67 ILE C A 68 GLU N A 68 GLU CA A 68 GLU C 1.0 -84.0 -44.0 PHI 128 128 A 68 GLU N A 68 GLU CA A 68 GLU C A 69 GLY N 1.0 -68.0 -8.0 PSI 129 129 A 68 GLU C A 69 GLY N A 69 GLY CA A 69 GLY C 1.0 -114.0 -42.0 PHI 130 130 A 69 GLY N A 69 GLY CA A 69 GLY C A 70 MET N 1.0 -59.0 5.0 PSI 131 131 A 69 GLY C A 70 MET N A 70 MET CA A 70 MET C 1.0 -150.0 -58.0 PHI 132 132 A 70 MET N A 70 MET CA A 70 MET C A 71 ASN N 1.0 -41.0 43.0 PSI 133 133 A 70 MET C A 71 ASN N A 71 ASN CA A 71 ASN C 1.0 -139.0 1.0 PHI 134 134 A 71 ASN N A 71 ASN CA A 71 ASN C A 72 GLY N 1.0 59.0 183.0 PSI 135 135 A 71 ASN C A 72 GLY N A 72 GLY CA A 72 GLY C 1.0 60.0 112.0 PHI 136 136 A 72 GLY N A 72 GLY CA A 72 GLY C A 73 LYS N 1.0 -30.0 18.0 PSI 137 137 A 72 GLY C A 73 LYS N A 73 LYS CA A 73 LYS C 1.0 -122.0 -54.0 PHI 138 138 A 73 LYS N A 73 LYS CA A 73 LYS C A 74 GLU N 1.0 64.0 204.0 PSI 139 139 A 73 LYS C A 74 GLU N A 74 GLU CA A 74 GLU C 1.0 -139.0 -59.0 PHI 140 140 A 74 GLU N A 74 GLU CA A 74 GLU C A 75 LEU N 1.0 85.0 169.0 PSI 141 141 A 74 GLU C A 75 LEU N A 75 LEU CA A 75 LEU C 1.0 -176.0 -96.0 PHI 142 142 A 75 LEU N A 75 LEU CA A 75 LEU C A 76 ASP N 1.0 103.0 143.0 PSI 143 143 A 75 LEU C A 76 ASP N A 76 ASP CA A 76 ASP C 1.0 33.0 73.0 PHI 144 144 A 76 ASP N A 76 ASP CA A 76 ASP C A 77 GLY N 1.0 23.0 63.0 PSI 145 145 A 76 ASP C A 77 GLY N A 77 GLY CA A 77 GLY C 1.0 49.0 97.0 PHI 146 146 A 77 GLY N A 77 GLY CA A 77 GLY C A 78 ARG N 1.0 -20.0 40.0 PSI 147 147 A 77 GLY C A 78 ARG N A 78 ARG CA A 78 ARG C 1.0 -154.0 -70.0 PHI 148 148 A 78 ARG N A 78 ARG CA A 78 ARG C A 79 SER N 1.0 113.0 177.0 PSI 149 149 A 78 ARG C A 79 SER N A 79 SER CA A 79 SER C 1.0 -130.0 -38.0 PHI 150 150 A 79 SER N A 79 SER CA A 79 SER C A 80 ILE N 1.0 108.0 160.0 PSI 151 151 A 80 ILE C A 81 VAL N A 81 VAL CA A 81 VAL C 1.0 -155.0 -91.0 PHI 152 152 A 81 VAL N A 81 VAL CA A 81 VAL C A 82 VAL N 1.0 124.0 164.0 PSI 153 153 A 81 VAL C A 82 VAL N A 82 VAL CA A 82 VAL C 1.0 -166.0 -90.0 PHI 154 154 A 82 VAL N A 82 VAL CA A 82 VAL C A 83 ASN N 1.0 131.0 171.0 PSI 155 155 A 82 VAL C A 83 ASN N A 83 ASN CA A 83 ASN C 1.0 -177.0 -101.0 PHI 156 156 A 83 ASN N A 83 ASN CA A 83 ASN C A 84 GLU N 1.0 106.0 186.0 PSI 157 157 A 83 ASN C A 84 GLU N A 84 GLU CA A 84 GLU C 1.0 -101.0 -57.0 PHI 158 158 A 84 GLU N A 84 GLU CA A 84 GLU C A 85 ALA N 1.0 104.0 152.0 PSI 159 159 A 84 GLU C A 85 ALA N A 85 ALA CA A 85 ALA C 1.0 -130.0 -18.0 PHI 160 160 A 85 ALA N A 85 ALA CA A 85 ALA C A 86 GLN N 1.0 -56.0 28.0 PSI 161 161 A 85 ALA C A 86 GLN N A 86 GLN CA A 86 GLN C 1.0 -99.0 -39.0 PHI 162 162 A 86 GLN N A 86 GLN CA A 86 GLN C A 87 SER N 1.0 -59.0 -15.0 PSI 163 163 A 86 GLN C A 87 SER N A 87 SER CA A 87 SER C 1.0 -86.0 -46.0 PHI 164 164 A 87 SER N A 87 SER CA A 87 SER C A 88 ARG N 1.0 -57.0 -17.0 PSI 165 165 A 87 SER C A 88 ARG N A 88 ARG CA A 88 ARG C 1.0 -118.0 -58.0 PHI 166 166 A 88 ARG N A 88 ARG CA A 88 ARG C A 89 GLY N 1.0 -43.0 21.0 PSI stop_ save_