data_nef_c25703_2n5b save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 25702 PDB 2N5B stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 30 CYS SG 1 33 CYS SG stop_ 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 VAL middle . . 3 A 3 THR middle . . 4 A 4 GLN middle . . 5 A 5 PHE middle . . 6 A 6 LYS middle . . 7 A 7 THR middle . . 8 A 8 ALA middle . . 9 A 9 SER middle . . 10 A 10 GLU middle . . 11 A 11 PHE middle . . 12 A 12 ASP middle . . 13 A 13 SER middle . . 14 A 14 ALA middle . . 15 A 15 ILE middle . . 16 A 16 ALA middle . . 17 A 17 GLN middle . . 18 A 18 ASP middle . . 19 A 19 LYS middle . . 20 A 20 LEU middle . . 21 A 21 VAL middle . . 22 A 22 VAL middle . . 23 A 23 VAL middle . . 24 A 24 ALA middle . . 25 A 25 PHE middle . . 26 A 26 TYR middle . . 27 A 27 ALA middle . . 28 A 28 THR middle . . 29 A 29 TRP middle . . 30 A 30 CYS middle -HG . 31 A 31 GLY middle . false 32 A 32 PRO middle . false 33 A 33 CYS middle -HG . 34 A 34 LYS middle . . 35 A 35 MET middle . . 36 A 36 ILE middle . . 37 A 37 ALA middle . . 38 A 38 PRO middle . false 39 A 39 MET middle . . 40 A 40 ILE middle . . 41 A 41 GLU middle . . 42 A 42 LYS middle . . 43 A 43 PHE middle . . 44 A 44 SER middle . . 45 A 45 GLU middle . . 46 A 46 GLN middle . . 47 A 47 TYR middle . . 48 A 48 PRO middle . false 49 A 49 GLN middle . . 50 A 50 ALA middle . . 51 A 51 ASP middle . . 52 A 52 PHE middle . . 53 A 53 TYR middle . . 54 A 54 LYS middle . . 55 A 55 LEU middle . . 56 A 56 ASP middle . . 57 A 57 VAL middle . . 58 A 58 ASP middle . . 59 A 59 GLU middle . . 60 A 60 LEU middle . . 61 A 61 GLY middle . false 62 A 62 ASP middle . . 63 A 63 VAL middle . . 64 A 64 ALA middle . . 65 A 65 GLN middle . . 66 A 66 LYS middle . . 67 A 67 ASN middle . . 68 A 68 GLU middle . . 69 A 69 VAL middle . . 70 A 70 SER middle . . 71 A 71 ALA middle . . 72 A 72 MET middle . . 73 A 73 PRO middle . true 74 A 74 THR middle . . 75 A 75 LEU middle . . 76 A 76 LEU middle . . 77 A 77 LEU middle . . 78 A 78 PHE middle . . 79 A 79 LYS middle . . 80 A 80 ASN middle . . 81 A 81 GLY middle . false 82 A 82 LYS middle . . 83 A 83 GLU middle . . 84 A 84 VAL middle . . 85 A 85 ALA middle . . 86 A 86 LYS middle . . 87 A 87 VAL middle . . 88 A 88 VAL middle . . 89 A 89 GLY middle . false 90 A 90 ALA middle . . 91 A 91 ASN middle . . 92 A 92 PRO middle . false 93 A 93 ALA middle . . 94 A 94 ALA middle . . 95 A 95 ILE middle . . 96 A 96 LYS middle . . 97 A 97 GLN middle . . 98 A 98 ALA middle . . 99 A 99 ILE middle . . 100 A 100 ALA middle . . 101 A 101 ALA middle . . 102 A 102 ASN middle . . 103 A 103 ALA end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.069 0.015 A 1 MET HB3 H 1 2.043 0.041 A 1 MET HGy H 1 2.400 0.009 A 1 MET HGx H 1 2.344 0.001 A 1 MET C C 13 170.824 0.000 A 1 MET CA C 13 55.416 0.159 A 1 MET CB C 13 33.331 0.003 A 1 MET CG C 13 30.994 0.037 A 2 VAL H H 1 8.576 0.012 A 2 VAL HA H 1 4.054 0.012 A 2 VAL HB H 1 1.777 0.035 A 2 VAL HGx% H 1 0.620 0.020 A 2 VAL HGy% H 1 0.536 0.040 A 2 VAL CA C 13 61.397 0.139 A 2 VAL CB C 13 32.844 0.176 A 2 VAL CG2 C 13 21.135 0.042 A 2 VAL N N 15 125.982 0.013 A 3 THR H H 1 7.787 0.018 A 3 THR HA H 1 4.120 0.023 A 3 THR HB H 1 3.644 0.023 A 3 THR HG2% H 1 1.093 0.020 A 3 THR C C 13 172.671 0.000 A 3 THR CA C 13 64.010 0.039 A 3 THR CB C 13 70.030 0.018 A 3 THR CG2 C 13 21.807 0.108 A 3 THR N N 15 126.926 0.029 A 4 GLN H H 1 8.976 0.011 A 4 GLN HA H 1 4.726 0.026 A 4 GLN HB2 H 1 1.732 0.003 A 4 GLN HB3 H 1 1.752 0.029 A 4 GLN HE21 H 1 7.164 0.004 A 4 GLN HE22 H 1 6.561 0.007 A 4 GLN HG2 H 1 2.310 0.024 A 4 GLN HG3 H 1 2.342 0.021 A 4 GLN C C 13 176.254 0.000 A 4 GLN CA C 13 54.925 0.013 A 4 GLN CB C 13 30.039 0.049 A 4 GLN CG C 13 32.821 0.124 A 4 GLN N N 15 128.743 0.023 A 4 GLN NE2 N 15 110.531 0.021 A 5 PHE H H 1 8.434 0.015 A 5 PHE HA H 1 4.793 0.013 A 5 PHE HBx H 1 2.544 0.027 A 5 PHE HBy H 1 3.023 0.014 A 5 PHE HD1 H 1 7.065 0.015 A 5 PHE HD2 H 1 7.065 0.015 A 5 PHE HE1 H 1 6.628 0.033 A 5 PHE HE2 H 1 6.628 0.033 A 5 PHE HZ H 1 5.745 0.004 A 5 PHE C C 13 175.627 0.000 A 5 PHE CA C 13 59.080 0.089 A 5 PHE CB C 13 41.083 0.035 A 5 PHE CD1 C 13 129.404 0.153 A 5 PHE CD2 C 13 129.404 0.153 A 5 PHE CE1 C 13 131.656 0.047 A 5 PHE CE2 C 13 131.656 0.047 A 5 PHE CZ C 13 128.921 0.009 A 5 PHE N N 15 127.295 0.026 A 6 LYS H H 1 9.821 0.012 A 6 LYS HA H 1 4.623 0.014 A 6 LYS HBy H 1 1.989 0.020 A 6 LYS HBx H 1 1.948 0.024 A 6 LYS HDy H 1 1.661 0.016 A 6 LYS HDx H 1 1.639 0.000 A 6 LYS HE3 H 1 2.945 0.004 A 6 LYS HGx H 1 1.544 0.039 A 6 LYS HGy H 1 1.608 0.034 A 6 LYS C C 13 176.504 0.000 A 6 LYS CA C 13 56.526 0.029 A 6 LYS CB C 13 34.660 0.059 A 6 LYS CD C 13 29.588 0.084 A 6 LYS CE C 13 42.721 0.000 A 6 LYS CG C 13 24.985 0.102 A 6 LYS N N 15 120.464 0.024 A 7 THR H H 1 7.467 0.011 A 7 THR HA H 1 4.738 0.044 A 7 THR HB H 1 4.483 0.005 A 7 THR HG2% H 1 1.137 0.014 A 7 THR C C 13 173.410 0.000 A 7 THR CA C 13 59.287 0.050 A 7 THR CB C 13 73.138 0.040 A 7 THR CG2 C 13 22.166 0.000 A 7 THR N N 15 108.286 0.012 A 8 ALA H H 1 9.038 0.013 A 8 ALA HA H 1 3.705 0.017 A 8 ALA HB% H 1 1.304 0.020 A 8 ALA C C 13 178.859 0.000 A 8 ALA CA C 13 55.453 0.073 A 8 ALA CB C 13 18.689 0.022 A 8 ALA N N 15 125.007 0.013 A 9 SER H H 1 8.159 0.016 A 9 SER HA H 1 4.124 0.014 A 9 SER HBx H 1 3.797 0.046 A 9 SER HBy H 1 3.803 0.036 A 9 SER C C 13 176.575 0.000 A 9 SER CA C 13 61.528 0.042 A 9 SER CB C 13 62.703 0.114 A 9 SER N N 15 113.408 0.039 A 10 GLU H H 1 7.552 0.024 A 10 GLU HA H 1 3.853 0.011 A 10 GLU HBy H 1 2.387 0.089 A 10 GLU HBx H 1 2.386 0.090 A 10 GLU HGy H 1 2.486 0.010 A 10 GLU HGx H 1 2.479 0.014 A 10 GLU C C 13 178.294 0.000 A 10 GLU CA C 13 59.266 0.114 A 10 GLU CB C 13 31.536 0.096 A 10 GLU CG C 13 32.680 0.073 A 10 GLU N N 15 123.005 0.015 A 11 PHE H H 1 6.632 0.014 A 11 PHE HA H 1 2.864 0.013 A 11 PHE HBx H 1 1.504 0.011 A 11 PHE HBy H 1 2.905 0.016 A 11 PHE HD1 H 1 6.670 0.040 A 11 PHE HD2 H 1 6.670 0.040 A 11 PHE HE1 H 1 6.977 0.000 A 11 PHE HE2 H 1 6.977 0.000 A 11 PHE C C 13 176.786 0.000 A 11 PHE CA C 13 61.182 0.030 A 11 PHE CB C 13 38.202 0.071 A 11 PHE CD1 C 13 132.336 0.093 A 11 PHE CD2 C 13 132.336 0.093 A 11 PHE CE1 C 13 131.127 0.000 A 11 PHE CE2 C 13 131.127 0.000 A 11 PHE N N 15 121.633 0.021 A 12 ASP H H 1 7.687 0.022 A 12 ASP HA H 1 3.841 0.008 A 12 ASP HBx H 1 2.462 0.027 A 12 ASP HBy H 1 2.474 0.019 A 12 ASP C C 13 178.286 0.000 A 12 ASP CA C 13 57.547 0.074 A 12 ASP CB C 13 40.790 0.023 A 12 ASP N N 15 118.991 0.015 A 13 SER H H 1 7.563 0.018 A 13 SER HA H 1 4.022 0.015 A 13 SER HBy H 1 4.008 0.001 A 13 SER HBx H 1 3.728 0.012 A 13 SER C C 13 175.827 0.000 A 13 SER CA C 13 61.410 0.089 A 13 SER CB C 13 63.499 0.040 A 13 SER N N 15 112.966 0.046 A 14 ALA H H 1 7.671 0.019 A 14 ALA HA H 1 4.025 0.021 A 14 ALA HB% H 1 1.101 0.015 A 14 ALA C C 13 179.909 0.000 A 14 ALA CA C 13 54.710 0.060 A 14 ALA CB C 13 19.286 0.034 A 14 ALA N N 15 124.823 0.028 A 15 ILE H H 1 7.195 0.025 A 15 ILE HA H 1 3.721 0.014 A 15 ILE HB H 1 1.041 0.007 A 15 ILE HD1% H 1 0.057 0.007 A 15 ILE HG1x H 1 0.597 0.020 A 15 ILE HG1y H 1 0.622 0.023 A 15 ILE HG2% H 1 0.660 0.009 A 15 ILE C C 13 175.512 0.000 A 15 ILE CA C 13 64.058 0.031 A 15 ILE CB C 13 38.277 0.036 A 15 ILE CD1 C 13 15.443 0.067 A 15 ILE CG1 C 13 25.653 0.116 A 15 ILE CG2 C 13 17.451 0.019 A 15 ILE N N 15 108.002 0.012 A 16 ALA H H 1 6.623 0.010 A 16 ALA HA H 1 4.013 0.012 A 16 ALA HB% H 1 1.285 0.009 A 16 ALA C C 13 176.636 0.000 A 16 ALA CA C 13 52.318 0.056 A 16 ALA CB C 13 18.956 0.061 A 16 ALA N N 15 123.051 0.040 A 17 GLN H H 1 7.140 0.015 A 17 GLN HA H 1 4.198 0.008 A 17 GLN HBy H 1 1.782 0.020 A 17 GLN HBx H 1 1.780 0.023 A 17 GLN HGx H 1 2.115 0.040 A 17 GLN HGy H 1 2.632 0.010 A 17 GLN C C 13 174.965 0.000 A 17 GLN CA C 13 56.422 0.033 A 17 GLN CB C 13 34.338 0.049 A 17 GLN CG C 13 35.649 0.207 A 17 GLN N N 15 116.236 0.009 A 18 ASP H H 1 8.651 0.016 A 18 ASP HA H 1 4.998 0.000 A 18 ASP HBx H 1 2.443 0.018 A 18 ASP HBy H 1 2.660 0.013 A 18 ASP C C 13 174.817 0.000 A 18 ASP CB C 13 39.414 0.047 A 18 ASP N N 15 123.905 0.022 A 19 LYS H H 1 7.950 0.010 A 19 LYS HA H 1 4.384 0.009 A 19 LYS HB3 H 1 1.764 0.002 A 19 LYS HDx H 1 1.478 0.014 A 19 LYS HDy H 1 1.479 0.017 A 19 LYS HE3 H 1 2.792 0.031 A 19 LYS HGx H 1 1.197 0.018 A 19 LYS HGy H 1 1.210 0.016 A 19 LYS C C 13 172.740 0.000 A 19 LYS CA C 13 55.163 0.087 A 19 LYS CB C 13 34.721 0.034 A 19 LYS CD C 13 28.763 0.000 A 19 LYS CE C 13 41.036 0.143 A 19 LYS CG C 13 23.390 0.054 A 19 LYS N N 15 119.499 0.020 A 20 LEU H H 1 8.641 0.018 A 20 LEU HA H 1 4.972 0.112 A 20 LEU HBx H 1 1.284 0.001 A 20 LEU HBy H 1 1.797 0.014 A 20 LEU HDx% H 1 0.699 0.031 A 20 LEU HDy% H 1 0.538 0.035 A 20 LEU HG H 1 1.228 0.019 A 20 LEU C C 13 173.937 0.000 A 20 LEU CA C 13 57.132 0.874 A 20 LEU CB C 13 42.012 0.036 A 20 LEU CDx C 13 21.863 0.060 A 20 LEU CDy C 13 23.194 0.000 A 20 LEU CG C 13 27.462 0.051 A 20 LEU N N 15 121.877 0.038 A 21 VAL H H 1 9.263 0.010 A 21 VAL HA H 1 4.439 0.025 A 21 VAL HB H 1 1.991 0.039 A 21 VAL HGx% H 1 1.048 0.022 A 21 VAL HGy% H 1 0.536 0.000 A 21 VAL C C 13 173.493 0.000 A 21 VAL CA C 13 62.510 0.056 A 21 VAL CB C 13 34.732 0.155 A 21 VAL CG1 C 13 21.482 0.013 A 21 VAL N N 15 129.812 0.027 A 22 VAL H H 1 9.006 0.021 A 22 VAL HA H 1 4.408 0.012 A 22 VAL HB H 1 1.263 0.017 A 22 VAL HGx% H 1 0.111 0.018 A 22 VAL HGy% H 1 0.640 0.023 A 22 VAL C C 13 174.331 0.000 A 22 VAL CA C 13 61.561 0.083 A 22 VAL CB C 13 33.630 0.020 A 22 VAL CGx C 13 20.405 0.111 A 22 VAL CGy C 13 21.614 0.067 A 22 VAL N N 15 131.684 0.017 A 23 VAL H H 1 9.551 0.028 A 23 VAL HA H 1 4.422 0.005 A 23 VAL HB H 1 2.405 0.032 A 23 VAL HGx% H 1 0.631 0.003 A 23 VAL HGy% H 1 1.094 0.021 A 23 VAL C C 13 174.342 0.000 A 23 VAL CA C 13 61.672 0.129 A 23 VAL CB C 13 34.042 0.044 A 23 VAL CGy C 13 22.446 0.019 A 23 VAL CGx C 13 19.325 0.049 A 23 VAL N N 15 126.475 0.019 A 24 ALA H H 1 8.991 0.016 A 24 ALA HA H 1 4.953 0.011 A 24 ALA HB% H 1 1.238 0.013 A 24 ALA C C 13 174.683 0.000 A 24 ALA CA C 13 51.712 0.043 A 24 ALA CB C 13 20.149 0.052 A 24 ALA N N 15 131.649 0.106 A 25 PHE H H 1 9.231 0.020 A 25 PHE HA H 1 5.002 0.014 A 25 PHE HBx H 1 2.546 0.019 A 25 PHE HBy H 1 3.303 0.016 A 25 PHE HD1 H 1 7.275 0.012 A 25 PHE HD2 H 1 7.275 0.012 A 25 PHE HE1 H 1 6.778 0.000 A 25 PHE HE2 H 1 6.778 0.000 A 25 PHE C C 13 174.231 0.000 A 25 PHE CA C 13 58.196 0.063 A 25 PHE CB C 13 40.231 0.042 A 25 PHE CD1 C 13 132.375 0.000 A 25 PHE CD2 C 13 132.375 0.000 A 25 PHE CE1 C 13 132.519 0.000 A 25 PHE CE2 C 13 132.519 0.000 A 25 PHE N N 15 124.535 0.076 A 26 TYR H H 1 8.869 0.013 A 26 TYR HA H 1 5.112 0.002 A 26 TYR HBx H 1 2.669 0.034 A 26 TYR HBy H 1 2.803 0.022 A 26 TYR HD1 H 1 6.745 0.017 A 26 TYR HD2 H 1 6.745 0.017 A 26 TYR HE1 H 1 6.374 0.014 A 26 TYR HE2 H 1 6.374 0.014 A 26 TYR C C 13 170.727 0.000 A 26 TYR CA C 13 55.240 0.078 A 26 TYR CB C 13 43.023 0.044 A 26 TYR CD1 C 13 132.554 0.000 A 26 TYR CD2 C 13 132.554 0.000 A 26 TYR CE1 C 13 117.707 0.044 A 26 TYR CE2 C 13 117.707 0.044 A 26 TYR N N 15 121.986 0.026 A 27 ALA H H 1 6.235 0.010 A 27 ALA HA H 1 4.329 0.009 A 27 ALA HB% H 1 0.21 0.010 A 27 ALA C C 13 178.755 0.000 A 27 ALA CA C 13 50.966 0.078 A 27 ALA CB C 13 22.735 0.037 A 27 ALA N N 15 117.474 0.011 A 28 THR H H 1 10.381 0.012 A 28 THR HA H 1 3.907 0.010 A 28 THR HB H 1 4.213 0.068 A 28 THR HG2% H 1 1.353 0.025 A 28 THR C C 13 174.360 0.000 A 28 THR CA C 13 65.865 0.021 A 28 THR CB C 13 69.336 0.018 A 28 THR CG2 C 13 18.653 0.236 A 28 THR N N 15 119.624 0.038 A 29 TRP H H 1 6.472 0.010 A 29 TRP HA H 1 4.590 0.004 A 29 TRP HBx H 1 3.123 0.015 A 29 TRP HBy H 1 3.645 0.007 A 29 TRP HD1 H 1 7.296 0.021 A 29 TRP HE1 H 1 11.362 0.012 A 29 TRP HE3 H 1 7.043 0.000 A 29 TRP HH2 H 1 7.105 0.000 A 29 TRP HZ2 H 1 7.360 0.004 A 29 TRP HZ3 H 1 7.295 0.000 A 29 TRP CA C 13 53.924 0.069 A 29 TRP CB C 13 29.460 0.140 A 29 TRP CD1 C 13 129.199 0.000 A 29 TRP CE3 C 13 121.278 0.000 A 29 TRP CH2 C 13 124.962 0.000 A 29 TRP CZ2 C 13 115.250 0.000 A 29 TRP CZ3 C 13 120.952 0.000 A 29 TRP N N 15 115.983 0.011 A 29 TRP NE1 N 15 139.734 0.001 A 30 CYS HA H 1 3.857 0.011 A 30 CYS HBx H 1 2.228 0.021 A 30 CYS HBy H 1 2.493 0.002 A 30 CYS CA C 13 58.536 0.000 A 30 CYS CB C 13 37.005 0.056 A 31 GLY HAx H 1 3.972 0.006 A 31 GLY HAy H 1 4.197 0.009 A 31 GLY CA C 13 48.989 0.017 A 32 PRO HA H 1 4.398 0.011 A 32 PRO HB2 H 1 2.490 0.006 A 32 PRO HB3 H 1 2.491 0.005 A 32 PRO HD2 H 1 3.875 0.008 A 32 PRO HD3 H 1 3.815 0.008 A 32 PRO HG2 H 1 1.643 0.004 A 32 PRO HG3 H 1 1.640 0.013 A 32 PRO C C 13 177.189 0.000 A 32 PRO CA C 13 65.366 0.044 A 32 PRO CB C 13 32.289 0.000 A 32 PRO CD C 13 52.419 0.038 A 32 PRO CG C 13 32.075 0.006 A 33 CYS H H 1 7.991 0.012 A 33 CYS HA H 1 4.223 0.022 A 33 CYS HB2 H 1 2.893 0.003 A 33 CYS HB3 H 1 2.886 0.006 A 33 CYS CA C 13 65.801 0.064 A 33 CYS CB C 13 34.949 0.026 A 33 CYS N N 15 111.468 0.021 A 34 LYS HA H 1 3.968 0.024 A 34 LYS HB2 H 1 1.935 0.026 A 34 LYS HB3 H 1 1.889 0.000 A 34 LYS C C 13 178.052 0.000 A 34 LYS CA C 13 59.661 0.000 A 34 LYS CB C 13 32.513 0.026 A 35 MET H H 1 7.326 0.007 A 35 MET HA H 1 4.194 0.008 A 35 MET HB3 H 1 2.132 0.019 A 35 MET HGy H 1 2.641 0.002 A 35 MET HGx H 1 2.487 0.012 A 35 MET C C 13 177.451 0.000 A 35 MET CA C 13 57.938 0.059 A 35 MET CB C 13 32.628 0.000 A 35 MET CG C 13 32.412 0.055 A 35 MET N N 15 117.236 0.016 A 36 ILE H H 1 7.315 0.023 A 36 ILE HA H 1 4.345 0.014 A 36 ILE HB H 1 1.871 0.012 A 36 ILE HD1% H 1 0.873 0.028 A 36 ILE HG1x H 1 1.404 0.022 A 36 ILE HG1y H 1 1.425 0.011 A 36 ILE HG2% H 1 0.773 0.017 A 36 ILE C C 13 176.183 0.000 A 36 ILE CA C 13 60.656 0.053 A 36 ILE CB C 13 39.657 0.023 A 36 ILE CD1 C 13 12.341 0.036 A 36 ILE CG1 C 13 28.431 0.055 A 36 ILE CG2 C 13 14.212 0.017 A 36 ILE N N 15 113.758 0.004 A 37 ALA H H 1 7.447 0.011 A 37 ALA HA H 1 4.095 0.018 A 37 ALA HB% H 1 1.289 0.015 A 37 ALA CA C 13 57.562 0.095 A 37 ALA CB C 13 15.912 0.053 A 37 ALA N N 15 126.738 0.009 A 38 PRO HA H 1 4.270 0.132 A 38 PRO HB2 H 1 2.325 0.019 A 38 PRO HB3 H 1 2.345 0.000 A 38 PRO HD3 H 1 4.247 0.032 A 38 PRO C C 13 178.922 0.000 A 38 PRO CA C 13 65.743 0.373 A 38 PRO CB C 13 31.224 0.000 A 38 PRO CD C 13 50.880 0.018 A 39 MET H H 1 7.063 0.018 A 39 MET HA H 1 3.859 0.016 A 39 MET HBy H 1 2.239 0.022 A 39 MET HBx H 1 1.687 0.025 A 39 MET HG3 H 1 2.310 0.028 A 39 MET C C 13 174.441 0.000 A 39 MET CA C 13 58.390 0.133 A 39 MET CB C 13 31.394 0.116 A 39 MET CG C 13 32.465 0.054 A 39 MET N N 15 118.310 0.029 A 40 ILE H H 1 7.752 0.017 A 40 ILE HA H 1 3.595 0.014 A 40 ILE HB H 1 2.068 0.012 A 40 ILE HD1% H 1 0.832 0.013 A 40 ILE HG13 H 1 1.917 0.018 A 40 ILE HG2% H 1 0.977 0.015 A 40 ILE C C 13 177.267 0.000 A 40 ILE CA C 13 64.393 0.037 A 40 ILE CB C 13 36.259 0.091 A 40 ILE CD1 C 13 14.493 0.084 A 40 ILE CG1 C 13 27.490 0.000 A 40 ILE CG2 C 13 18.381 0.025 A 40 ILE N N 15 119.013 0.063 A 41 GLU H H 1 7.442 0.022 A 41 GLU HA H 1 3.572 0.007 A 41 GLU HB3 H 1 1.952 0.022 A 41 GLU C C 13 179.597 0.000 A 41 GLU CA C 13 59.878 0.019 A 41 GLU CB C 13 29.900 0.000 A 41 GLU N N 15 119.530 0.031 A 42 LYS H H 1 7.428 0.023 A 42 LYS HA H 1 3.932 0.013 A 42 LYS HBx H 1 1.679 0.017 A 42 LYS HBy H 1 1.682 0.023 A 42 LYS HDx H 1 1.617 0.014 A 42 LYS HDy H 1 1.618 0.017 A 42 LYS HE3 H 1 2.786 0.000 A 42 LYS HGy H 1 1.389 0.015 A 42 LYS HGx H 1 1.385 0.021 A 42 LYS C C 13 179.390 0.000 A 42 LYS CA C 13 59.532 0.061 A 42 LYS CB C 13 31.281 0.108 A 42 LYS CD C 13 25.825 0.042 A 42 LYS CE C 13 40.378 0.000 A 42 LYS CG C 13 22.247 0.002 A 42 LYS N N 15 122.053 0.233 A 43 PHE H H 1 8.337 0.013 A 43 PHE HA H 1 4.639 0.036 A 43 PHE HBx H 1 3.065 0.015 A 43 PHE HBy H 1 3.160 0.039 A 43 PHE HD1 H 1 7.154 0.017 A 43 PHE HD2 H 1 7.154 0.017 A 43 PHE C C 13 177.337 0.000 A 43 PHE CA C 13 59.331 0.054 A 43 PHE CB C 13 37.737 0.032 A 43 PHE CD1 C 13 131.152 0.016 A 43 PHE CD2 C 13 131.152 0.016 A 43 PHE N N 15 120.250 0.017 A 44 SER H H 1 7.754 0.019 A 44 SER HA H 1 2.967 0.020 A 44 SER HBx H 1 2.745 0.011 A 44 SER HBy H 1 3.176 0.020 A 44 SER C C 13 174.934 0.000 A 44 SER CA C 13 61.159 0.050 A 44 SER CB C 13 62.353 0.007 A 44 SER N N 15 117.203 0.110 A 45 GLU H H 1 6.884 0.012 A 45 GLU HA H 1 4.049 0.017 A 45 GLU HBy H 1 2.024 0.012 A 45 GLU HBx H 1 2.017 0.015 A 45 GLU C C 13 177.360 0.000 A 45 GLU CA C 13 57.739 0.032 A 45 GLU CB C 13 30.191 0.055 A 45 GLU N N 15 121.664 0.027 A 46 GLN H H 1 7.551 0.245 A 46 GLN HA H 1 3.948 0.050 A 46 GLN HB2 H 1 2.051 0.037 A 46 GLN HB3 H 1 2.019 0.012 A 46 GLN HE21 H 1 7.194 0.004 A 46 GLN HE22 H 1 7.609 0.005 A 46 GLN HG2 H 1 2.268 0.000 A 46 GLN HG3 H 1 2.290 0.042 A 46 GLN C C 13 177.431 0.000 A 46 GLN CA C 13 58.372 1.009 A 46 GLN CB C 13 30.160 0.027 A 46 GLN CG C 13 34.160 0.436 A 46 GLN N N 15 118.766 0.126 A 46 GLN NE2 N 15 114.479 0.017 A 47 TYR H H 1 7.426 0.016 A 47 TYR HA H 1 4.971 0.008 A 47 TYR HBy H 1 2.899 0.033 A 47 TYR HBx H 1 2.882 0.023 A 47 TYR HD1 H 1 7.180 0.019 A 47 TYR HD2 H 1 7.180 0.019 A 47 TYR HE1 H 1 6.571 0.008 A 47 TYR HE2 H 1 6.571 0.008 A 47 TYR CA C 13 56.523 0.030 A 47 TYR CB C 13 38.479 0.032 A 47 TYR CD1 C 13 133.472 0.153 A 47 TYR CD2 C 13 133.472 0.153 A 47 TYR CE1 C 13 117.060 0.043 A 47 TYR CE2 C 13 117.060 0.043 A 47 TYR N N 15 117.012 0.021 A 48 PRO HA H 1 4.388 0.023 A 48 PRO HBx H 1 2.490 0.004 A 48 PRO HBy H 1 2.495 0.003 A 48 PRO C C 13 176.927 0.000 A 48 PRO CA C 13 65.425 0.055 A 48 PRO CB C 13 32.619 0.100 A 49 GLN H H 1 9.624 0.008 A 49 GLN HA H 1 4.369 0.009 A 49 GLN HBx H 1 2.119 0.020 A 49 GLN HBy H 1 2.180 0.049 A 49 GLN HE21 H 1 7.519 0.003 A 49 GLN HE22 H 1 7.728 0.001 A 49 GLN HGy H 1 2.624 0.011 A 49 GLN HGx H 1 2.618 0.010 A 49 GLN C C 13 174.438 0.000 A 49 GLN CA C 13 56.832 0.025 A 49 GLN CB C 13 28.164 0.088 A 49 GLN CG C 13 33.743 0.013 A 49 GLN N N 15 120.194 0.056 A 49 GLN NE2 N 15 112.785 0.014 A 50 ALA H H 1 8.179 0.015 A 50 ALA HA H 1 5.048 0.006 A 50 ALA HB% H 1 1.207 0.018 A 50 ALA C C 13 174.685 0.000 A 50 ALA CA C 13 50.518 0.018 A 50 ALA CB C 13 22.754 0.049 A 50 ALA N N 15 128.180 0.022 A 51 ASP H H 1 8.435 0.014 A 51 ASP HA H 1 5.102 0.007 A 51 ASP HBx H 1 2.525 0.006 A 51 ASP HBy H 1 2.651 0.006 A 51 ASP C C 13 174.171 0.000 A 51 ASP CA C 13 53.515 0.056 A 51 ASP CB C 13 44.782 0.040 A 51 ASP N N 15 121.032 0.016 A 52 PHE H H 1 8.983 0.018 A 52 PHE HA H 1 5.172 0.014 A 52 PHE HBy H 1 3.290 0.011 A 52 PHE HBx H 1 2.501 0.010 A 52 PHE HD1 H 1 7.258 0.006 A 52 PHE HD2 H 1 7.258 0.006 A 52 PHE HE1 H 1 6.766 0.002 A 52 PHE HE2 H 1 6.766 0.002 A 52 PHE C C 13 174.110 0.000 A 52 PHE CA C 13 57.189 0.041 A 52 PHE CB C 13 42.291 0.049 A 52 PHE CD1 C 13 132.554 0.037 A 52 PHE CD2 C 13 132.554 0.037 A 52 PHE CE1 C 13 132.033 0.082 A 52 PHE CE2 C 13 132.033 0.082 A 52 PHE N N 15 121.696 0.008 A 53 TYR H H 1 9.362 0.010 A 53 TYR HA H 1 5.495 0.009 A 53 TYR HBy H 1 2.110 0.033 A 53 TYR HBx H 1 2.052 0.024 A 53 TYR HD1 H 1 6.255 0.010 A 53 TYR HD2 H 1 6.255 0.010 A 53 TYR HE1 H 1 6.480 0.003 A 53 TYR HE2 H 1 6.480 0.003 A 53 TYR C C 13 174.002 0.000 A 53 TYR CA C 13 56.214 0.015 A 53 TYR CB C 13 46.407 0.024 A 53 TYR CD1 C 13 133.726 0.000 A 53 TYR CD2 C 13 133.726 0.000 A 53 TYR CE1 C 13 117.742 0.013 A 53 TYR CE2 C 13 117.742 0.013 A 53 TYR N N 15 122.042 0.016 A 54 LYS H H 1 8.463 0.017 A 54 LYS HA H 1 5.505 0.009 A 54 LYS HBy H 1 1.709 0.023 A 54 LYS HBx H 1 1.570 0.001 A 54 LYS HDy H 1 1.545 0.011 A 54 LYS HDx H 1 1.493 0.026 A 54 LYS HE3 H 1 2.627 0.004 A 54 LYS C C 13 172.792 0.000 A 54 LYS CA C 13 53.943 0.065 A 54 LYS CB C 13 36.950 0.049 A 54 LYS CD C 13 30.027 0.119 A 54 LYS CE C 13 42.502 0.088 A 54 LYS N N 15 116.808 0.021 A 55 LEU H H 1 8.688 0.015 A 55 LEU HA H 1 4.472 0.010 A 55 LEU HB2 H 1 1.238 0.025 A 55 LEU HB3 H 1 1.160 0.023 A 55 LEU HD1% H 1 0.513 0.027 A 55 LEU HD2% H 1 0.751 0.015 A 55 LEU HG H 1 1.402 0.036 A 55 LEU C C 13 171.652 0.000 A 55 LEU CA C 13 55.906 0.019 A 55 LEU CB C 13 46.528 0.162 A 55 LEU CD1 C 13 26.536 0.104 A 55 LEU CG C 13 27.224 0.455 A 55 LEU N N 15 123.826 0.043 A 56 ASP H H 1 8.595 0.010 A 56 ASP HA H 1 4.130 0.034 A 56 ASP HBy H 1 2.715 0.011 A 56 ASP HBx H 1 2.159 0.012 A 56 ASP C C 13 177.692 0.000 A 56 ASP CA C 13 54.074 0.003 A 56 ASP CB C 13 41.388 0.044 A 56 ASP N N 15 127.169 0.021 A 57 VAL H H 1 8.712 0.010 A 57 VAL HA H 1 3.491 0.009 A 57 VAL HB H 1 2.230 0.010 A 57 VAL HGx% H 1 0.942 0.010 A 57 VAL HGy% H 1 1.094 0.014 A 57 VAL C C 13 175.413 0.000 A 57 VAL CA C 13 65.095 0.050 A 57 VAL CB C 13 31.658 0.099 A 57 VAL CGx C 13 19.236 0.149 A 57 VAL CGy C 13 23.322 0.059 A 57 VAL N N 15 123.562 0.071 A 58 ASP H H 1 8.670 0.012 A 58 ASP HA H 1 4.827 0.000 A 58 ASP HBy H 1 2.560 0.000 A 58 ASP HBx H 1 2.511 0.007 A 58 ASP C C 13 177.131 0.000 A 58 ASP CA C 13 57.693 0.000 A 58 ASP CB C 13 40.827 0.036 A 58 ASP N N 15 120.070 0.091 A 59 GLU H H 1 7.616 0.019 A 59 GLU HA H 1 4.358 0.012 A 59 GLU HBy H 1 2.113 0.022 A 59 GLU HBx H 1 2.080 0.043 A 59 GLU HGy H 1 2.458 0.014 A 59 GLU HGx H 1 2.455 0.013 A 59 GLU C C 13 176.606 0.000 A 59 GLU CA C 13 57.881 0.032 A 59 GLU CB C 13 32.138 0.070 A 59 GLU CG C 13 33.356 0.008 A 59 GLU N N 15 120.889 0.161 A 60 LEU H H 1 7.690 0.010 A 60 LEU HA H 1 4.916 0.009 A 60 LEU HBy H 1 2.619 0.013 A 60 LEU HBx H 1 1.446 0.017 A 60 LEU HD1% H 1 0.557 0.036 A 60 LEU HG H 1 1.514 0.065 A 60 LEU C C 13 176.538 0.000 A 60 LEU CA C 13 52.864 0.016 A 60 LEU CB C 13 42.270 0.160 A 60 LEU CD1 C 13 23.284 0.215 A 60 LEU CG C 13 27.768 1.018 A 60 LEU N N 15 122.457 0.032 A 61 GLY H H 1 8.267 0.010 A 61 GLY HAx H 1 3.829 0.016 A 61 GLY HAy H 1 3.975 0.016 A 61 GLY C C 13 175.917 0.000 A 61 GLY CA C 13 48.760 0.021 A 61 GLY N N 15 112.065 0.019 A 62 ASP H H 1 9.155 0.006 A 62 ASP HA H 1 4.302 0.008 A 62 ASP HBx H 1 2.480 0.016 A 62 ASP HBy H 1 2.597 0.010 A 62 ASP C C 13 178.355 0.000 A 62 ASP CA C 13 57.045 0.049 A 62 ASP CB C 13 39.646 0.013 A 62 ASP N N 15 120.904 0.025 A 63 VAL H H 1 7.263 0.017 A 63 VAL HA H 1 3.310 0.011 A 63 VAL HB H 1 1.864 0.014 A 63 VAL HGx% H 1 0.602 0.172 A 63 VAL HGy% H 1 -0.272 0.010 A 63 VAL C C 13 178.724 0.000 A 63 VAL CA C 13 65.878 0.070 A 63 VAL CB C 13 31.718 0.036 A 63 VAL CGx C 13 20.856 0.085 A 63 VAL CGy C 13 20.904 0.044 A 63 VAL N N 15 121.465 0.083 A 64 ALA H H 1 7.248 0.015 A 64 ALA HA H 1 3.774 0.013 A 64 ALA HB% H 1 1.480 0.005 A 64 ALA C C 13 177.984 0.000 A 64 ALA CA C 13 56.326 0.069 A 64 ALA CB C 13 18.296 0.052 A 64 ALA N N 15 123.341 0.028 A 65 GLN H H 1 8.276 0.009 A 65 GLN HA H 1 4.013 0.014 A 65 GLN HB2 H 1 2.090 0.003 A 65 GLN HB3 H 1 2.086 0.010 A 65 GLN HGy H 1 2.339 0.014 A 65 GLN HGx H 1 2.248 0.016 A 65 GLN CA C 13 59.524 0.150 A 65 GLN CB C 13 28.802 0.083 A 65 GLN CG C 13 32.501 0.122 A 65 GLN N N 15 118.749 0.011 A 66 LYS H H 1 7.984 0.011 A 66 LYS HA H 1 4.033 0.016 A 66 LYS HBy H 1 1.828 0.013 A 66 LYS HBx H 1 1.778 0.013 A 66 LYS HE3 H 1 2.793 0.002 A 66 LYS HG3 H 1 1.451 0.020 A 66 LYS C C 13 176.439 0.000 A 66 LYS CA C 13 59.276 0.025 A 66 LYS CB C 13 32.706 0.054 A 66 LYS CE C 13 42.244 0.003 A 66 LYS CG C 13 25.669 0.067 A 66 LYS N N 15 120.950 0.147 A 67 ASN H H 1 7.052 0.009 A 67 ASN HA H 1 4.698 0.025 A 67 ASN HBy H 1 2.781 0.013 A 67 ASN HBx H 1 2.093 0.022 A 67 ASN HD21 H 1 7.563 0.010 A 67 ASN HD22 H 1 6.103 0.007 A 67 ASN C C 13 171.075 0.000 A 67 ASN CA C 13 54.555 0.000 A 67 ASN CB C 13 40.572 0.063 A 67 ASN N N 15 115.512 0.027 A 67 ASN ND2 N 15 114.796 0.021 A 68 GLU H H 1 7.708 0.013 A 68 GLU HA H 1 3.724 0.016 A 68 GLU HBx H 1 1.941 0.005 A 68 GLU HBy H 1 2.061 0.006 A 68 GLU HGx H 1 2.297 0.002 A 68 GLU HGy H 1 2.380 0.010 A 68 GLU C C 13 175.135 0.000 A 68 GLU CA C 13 57.472 0.019 A 68 GLU CB C 13 27.320 0.103 A 68 GLU CG C 13 34.125 0.139 A 68 GLU N N 15 115.540 0.054 A 69 VAL H H 1 7.786 0.013 A 69 VAL HA H 1 3.891 0.008 A 69 VAL HB H 1 1.412 0.011 A 69 VAL HGx% H 1 0.466 0.017 A 69 VAL HGy% H 1 -0.198 0.013 A 69 VAL C C 13 174.845 0.000 A 69 VAL CA C 13 63.315 0.044 A 69 VAL CB C 13 31.259 0.010 A 69 VAL CG2 C 13 20.956 0.113 A 69 VAL N N 15 121.037 0.011 A 70 SER H H 1 8.556 0.008 A 70 SER HA H 1 4.453 0.004 A 70 SER HBx H 1 3.579 0.004 A 70 SER HBy H 1 3.822 0.009 A 70 SER C C 13 172.450 0.000 A 70 SER CA C 13 58.194 0.030 A 70 SER CB C 13 65.148 0.020 A 70 SER N N 15 123.071 0.066 A 71 ALA H H 1 7.884 0.007 A 71 ALA HA H 1 4.554 0.010 A 71 ALA HB% H 1 1.213 0.018 A 71 ALA C C 13 175.018 0.000 A 71 ALA CA C 13 51.898 0.008 A 71 ALA CB C 13 21.560 0.044 A 71 ALA N N 15 127.000 0.071 A 72 MET H H 1 8.664 0.008 A 72 MET HA H 1 4.827 0.001 A 72 MET HBy H 1 1.696 0.011 A 72 MET HBx H 1 1.582 0.006 A 72 MET HE% H 1 2.036 0.008 A 72 MET CA C 13 57.888 0.062 A 72 MET CB C 13 36.102 0.003 A 72 MET CE C 13 17.522 0.012 A 72 MET N N 15 120.240 0.015 A 73 PRO HA H 1 4.988 0.011 A 73 PRO HB2 H 1 2.669 0.006 A 73 PRO HB3 H 1 2.674 0.000 A 73 PRO C C 13 175.162 0.000 A 73 PRO CA C 13 64.042 0.000 A 73 PRO CB C 13 35.151 0.000 A 74 THR H H 1 7.490 0.013 A 74 THR HA H 1 4.995 0.015 A 74 THR HB H 1 3.731 0.010 A 74 THR HG2% H 1 0.952 0.019 A 74 THR C C 13 170.891 0.000 A 74 THR CA C 13 63.926 0.153 A 74 THR CB C 13 73.856 0.077 A 74 THR CG2 C 13 22.443 0.019 A 74 THR N N 15 114.942 0.031 A 75 LEU H H 1 9.427 0.013 A 75 LEU HA H 1 5.493 0.015 A 75 LEU HB3 H 1 1.588 0.011 A 75 LEU HDx% H 1 0.877 0.036 A 75 LEU HDy% H 1 0.909 0.010 A 75 LEU C C 13 174.331 0.000 A 75 LEU CA C 13 53.852 0.069 A 75 LEU CB C 13 45.160 0.067 A 75 LEU CDx C 13 24.576 0.029 A 75 LEU CDy C 13 24.643 0.000 A 75 LEU N N 15 132.149 0.030 A 76 LEU H H 1 9.240 0.014 A 76 LEU HA H 1 4.932 0.017 A 76 LEU HB3 H 1 1.912 0.015 A 76 LEU HDx% H 1 0.910 0.003 A 76 LEU HDy% H 1 0.811 0.011 A 76 LEU HG H 1 1.553 0.016 A 76 LEU C C 13 173.732 0.000 A 76 LEU CA C 13 54.032 0.036 A 76 LEU CB C 13 46.726 0.021 A 76 LEU CDy C 13 24.614 0.015 A 76 LEU CDx C 13 24.575 0.047 A 76 LEU CG C 13 28.125 0.142 A 76 LEU N N 15 124.814 0.027 A 77 LEU H H 1 8.175 0.015 A 77 LEU HA H 1 5.251 0.009 A 77 LEU HBy H 1 1.328 0.021 A 77 LEU HBx H 1 1.256 0.010 A 77 LEU HDx% H 1 0.545 0.013 A 77 LEU HDy% H 1 0.559 0.020 A 77 LEU HG H 1 1.554 0.024 A 77 LEU C C 13 174.442 0.000 A 77 LEU CA C 13 55.087 0.069 A 77 LEU CB C 13 43.250 0.035 A 77 LEU CD1 C 13 28.336 0.059 A 77 LEU CD2 C 13 28.360 0.025 A 77 LEU CG C 13 28.884 0.191 A 77 LEU N N 15 123.770 0.017 A 78 PHE H H 1 9.742 0.013 A 78 PHE HA H 1 5.397 0.006 A 78 PHE HBy H 1 2.792 0.016 A 78 PHE HBx H 1 2.770 0.018 A 78 PHE HD1 H 1 6.786 0.013 A 78 PHE HD2 H 1 6.786 0.013 A 78 PHE HE1 H 1 7.247 0.017 A 78 PHE HE2 H 1 7.247 0.017 A 78 PHE C C 13 173.920 0.000 A 78 PHE CA C 13 56.867 0.033 A 78 PHE CB C 13 44.858 0.029 A 78 PHE CD1 C 13 131.957 0.000 A 78 PHE CD2 C 13 131.957 0.000 A 78 PHE CE1 C 13 132.518 0.000 A 78 PHE CE2 C 13 132.518 0.000 A 78 PHE N N 15 122.975 0.016 A 79 LYS H H 1 8.745 0.013 A 79 LYS HA H 1 4.817 0.016 A 79 LYS HBx H 1 1.581 0.014 A 79 LYS HBy H 1 1.657 0.017 A 79 LYS HE3 H 1 2.964 0.000 A 79 LYS HG3 H 1 1.163 0.015 A 79 LYS C C 13 177.194 0.000 A 79 LYS CA C 13 57.980 0.134 A 79 LYS CB C 13 37.031 0.123 A 79 LYS CE C 13 42.365 0.000 A 79 LYS CG C 13 25.434 0.000 A 79 LYS N N 15 118.164 0.028 A 80 ASN H H 1 8.893 0.012 A 80 ASN HA H 1 4.291 0.014 A 80 ASN HBy H 1 3.052 0.013 A 80 ASN HBx H 1 2.608 0.010 A 80 ASN HD21 H 1 7.354 0.002 A 80 ASN HD22 H 1 6.880 0.004 A 80 ASN C C 13 174.868 0.000 A 80 ASN CA C 13 54.925 0.026 A 80 ASN CB C 13 38.055 0.016 A 80 ASN N N 15 126.660 0.031 A 80 ASN ND2 N 15 112.252 0.021 A 81 GLY H H 1 8.639 0.016 A 81 GLY HAx H 1 3.345 0.009 A 81 GLY HAy H 1 4.094 0.020 A 81 GLY C C 13 172.724 0.000 A 81 GLY CA C 13 46.145 0.020 A 81 GLY N N 15 103.991 0.021 A 82 LYS H H 1 7.576 0.010 A 82 LYS HA H 1 4.937 0.007 A 82 LYS HBx H 1 1.696 0.019 A 82 LYS HBy H 1 1.785 0.001 A 82 LYS HDy H 1 1.731 0.005 A 82 LYS HDx H 1 1.729 0.002 A 82 LYS HE3 H 1 3.001 0.004 A 82 LYS HG3 H 1 1.369 0.020 A 82 LYS C C 13 174.364 0.000 A 82 LYS CA C 13 55.602 0.000 A 82 LYS CB C 13 35.830 0.136 A 82 LYS CD C 13 28.753 0.094 A 82 LYS CE C 13 42.209 0.000 A 82 LYS CG C 13 24.827 0.000 A 82 LYS N N 15 120.266 0.021 A 83 GLU H H 1 8.819 0.010 A 83 GLU HA H 1 3.867 0.027 A 83 GLU HBx H 1 1.703 0.020 A 83 GLU HBy H 1 1.704 0.024 A 83 GLU C C 13 176.728 0.000 A 83 GLU CA C 13 57.345 0.077 A 83 GLU CB C 13 30.927 0.001 A 83 GLU N N 15 126.445 0.030 A 84 VAL H H 1 9.258 0.013 A 84 VAL HA H 1 4.417 0.013 A 84 VAL HB H 1 2.096 0.016 A 84 VAL HGx% H 1 0.445 0.017 A 84 VAL HGy% H 1 0.839 0.021 A 84 VAL C C 13 175.128 0.000 A 84 VAL CA C 13 61.453 0.048 A 84 VAL CB C 13 33.692 0.068 A 84 VAL CGx C 13 19.059 0.053 A 84 VAL CGy C 13 21.892 0.077 A 84 VAL N N 15 123.147 0.043 A 85 ALA H H 1 7.573 0.015 A 85 ALA HA H 1 4.414 0.012 A 85 ALA HB% H 1 1.255 0.018 A 85 ALA C C 13 173.291 0.000 A 85 ALA CA C 13 53.133 0.026 A 85 ALA CB C 13 22.544 0.140 A 85 ALA N N 15 122.281 0.016 A 86 LYS H H 1 8.014 0.022 A 86 LYS HA H 1 4.933 0.013 A 86 LYS HBy H 1 1.652 0.027 A 86 LYS HBx H 1 1.573 0.011 A 86 LYS HE3 H 1 2.822 0.006 A 86 LYS HGx H 1 0.953 0.036 A 86 LYS HGy H 1 0.994 0.007 A 86 LYS C C 13 174.506 0.000 A 86 LYS CA C 13 55.860 0.040 A 86 LYS CB C 13 35.979 0.060 A 86 LYS CE C 13 42.480 0.017 A 86 LYS CG C 13 24.794 0.118 A 86 LYS N N 15 120.704 0.196 A 87 VAL H H 1 9.186 0.019 A 87 VAL HA H 1 4.276 0.012 A 87 VAL HB H 1 1.882 0.015 A 87 VAL HGx% H 1 0.814 0.031 A 87 VAL HGy% H 1 0.684 0.045 A 87 VAL C C 13 174.002 0.000 A 87 VAL CA C 13 62.070 0.110 A 87 VAL CB C 13 34.958 0.023 A 87 VAL CGy C 13 21.808 0.258 A 87 VAL CGx C 13 20.884 0.022 A 87 VAL N N 15 126.817 0.032 A 88 VAL H H 1 9.026 0.007 A 88 VAL HA H 1 4.446 0.026 A 88 VAL HB H 1 1.911 0.014 A 88 VAL HGx% H 1 0.661 0.006 A 88 VAL HGy% H 1 0.892 0.015 A 88 VAL C C 13 175.594 0.000 A 88 VAL CA C 13 62.462 0.018 A 88 VAL CB C 13 33.275 0.010 A 88 VAL CGx C 13 20.976 0.407 A 88 VAL CGy C 13 21.181 0.054 A 88 VAL N N 15 129.683 0.019 A 89 GLY H H 1 8.298 0.011 A 89 GLY HAx H 1 3.613 0.010 A 89 GLY HAy H 1 4.474 0.016 A 89 GLY CA C 13 44.014 0.020 A 89 GLY N N 15 114.918 0.035 A 90 ALA HA H 1 4.227 0.007 A 90 ALA HB% H 1 1.244 0.008 A 90 ALA C C 13 174.279 0.000 A 90 ALA CA C 13 50.915 0.062 A 90 ALA CB C 13 18.480 0.063 A 91 ASN H H 1 7.360 0.016 A 91 ASN HA H 1 5.114 0.008 A 91 ASN HBx H 1 2.589 0.014 A 91 ASN HBy H 1 2.881 0.008 A 91 ASN HD21 H 1 7.711 0.003 A 91 ASN HD22 H 1 7.067 0.005 A 91 ASN CA C 13 50.500 0.033 A 91 ASN CB C 13 39.514 0.066 A 91 ASN N N 15 121.022 0.007 A 91 ASN ND2 N 15 113.545 0.027 A 92 PRO HA H 1 4.116 0.022 A 92 PRO HDx H 1 3.814 0.012 A 92 PRO HDy H 1 3.995 0.002 A 92 PRO HG3 H 1 1.892 0.021 A 92 PRO CA C 13 63.392 0.023 A 92 PRO CD C 13 51.213 0.018 A 92 PRO CG C 13 27.764 0.317 A 93 ALA HA H 1 4.074 0.026 A 93 ALA HB% H 1 1.391 0.024 A 93 ALA C C 13 179.673 0.000 A 93 ALA CA C 13 55.353 0.602 A 93 ALA CB C 13 18.455 0.023 A 94 ALA H H 1 7.228 0.009 A 94 ALA HA H 1 4.064 0.021 A 94 ALA HB% H 1 1.374 0.007 A 94 ALA C C 13 180.373 0.000 A 94 ALA CA C 13 55.418 0.316 A 94 ALA CB C 13 19.268 0.026 A 94 ALA N N 15 121.514 0.010 A 95 ILE H H 1 7.738 0.013 A 95 ILE HA H 1 3.358 0.009 A 95 ILE HB H 1 1.898 0.020 A 95 ILE HD1% H 1 0.766 0.010 A 95 ILE HG13 H 1 0.847 0.032 A 95 ILE HG2% H 1 0.750 0.015 A 95 ILE C C 13 175.639 0.000 A 95 ILE CA C 13 66.564 0.044 A 95 ILE CB C 13 38.854 0.070 A 95 ILE CD1 C 13 21.894 0.005 A 95 ILE CG1 C 13 22.378 0.197 A 95 ILE CG2 C 13 18.293 0.037 A 95 ILE N N 15 120.330 0.023 A 96 LYS H H 1 8.087 0.014 A 96 LYS HA H 1 3.144 0.014 A 96 LYS HB3 H 1 1.712 0.013 A 96 LYS HDx H 1 1.543 0.000 A 96 LYS HDy H 1 1.633 0.015 A 96 LYS HE3 H 1 2.807 0.000 A 96 LYS HGx H 1 1.167 0.011 A 96 LYS HGy H 1 1.229 0.022 A 96 LYS C C 13 177.288 0.000 A 96 LYS CA C 13 60.420 0.063 A 96 LYS CB C 13 32.612 0.000 A 96 LYS CD C 13 30.282 0.003 A 96 LYS CE C 13 42.335 0.000 A 96 LYS CG C 13 23.528 0.098 A 96 LYS N N 15 119.846 0.025 A 97 GLN H H 1 7.700 0.010 A 97 GLN HA H 1 3.848 0.011 A 97 GLN HBx H 1 1.975 0.032 A 97 GLN HBy H 1 2.021 0.020 A 97 GLN HE21 H 1 6.732 0.006 A 97 GLN HE22 H 1 7.352 0.011 A 97 GLN C C 13 177.461 0.000 A 97 GLN CA C 13 59.069 0.047 A 97 GLN CB C 13 28.799 0.140 A 97 GLN N N 15 116.484 0.014 A 97 GLN NE2 N 15 112.403 0.048 A 98 ALA H H 1 7.456 0.017 A 98 ALA HA H 1 3.921 0.008 A 98 ALA HB% H 1 1.151 0.009 A 98 ALA C C 13 174.452 0.000 A 98 ALA CA C 13 55.207 0.018 A 98 ALA CB C 13 18.356 0.024 A 98 ALA N N 15 121.852 0.114 A 99 ILE H H 1 7.692 0.022 A 99 ILE HA H 1 3.037 0.014 A 99 ILE HB H 1 1.126 0.016 A 99 ILE HD1% H 1 -0.150 0.014 A 99 ILE HG13 H 1 0.407 0.019 A 99 ILE HG2% H 1 0.530 0.016 A 99 ILE C C 13 176.476 0.000 A 99 ILE CA C 13 65.925 0.028 A 99 ILE CB C 13 38.622 0.024 A 99 ILE CD1 C 13 16.372 0.064 A 99 ILE CG1 C 13 29.267 0.007 A 99 ILE CG2 C 13 15.202 0.019 A 99 ILE N N 15 118.810 0.085 A 100 ALA H H 1 8.164 0.024 A 100 ALA HA H 1 3.713 0.017 A 100 ALA HB% H 1 1.336 0.017 A 100 ALA C C 13 179.910 0.000 A 100 ALA CA C 13 55.491 0.008 A 100 ALA CB C 13 18.656 0.050 A 100 ALA N N 15 120.478 0.012 A 101 ALA H H 1 7.649 0.020 A 101 ALA HA H 1 4.084 0.011 A 101 ALA HB% H 1 1.311 0.022 A 101 ALA C C 13 177.705 0.000 A 101 ALA CA C 13 54.113 0.075 A 101 ALA CB C 13 19.576 0.027 A 101 ALA N N 15 116.616 0.066 A 102 ASN H H 1 7.110 0.012 A 102 ASN HA H 1 4.753 0.022 A 102 ASN HBy H 1 2.509 0.008 A 102 ASN HBx H 1 2.147 0.017 A 102 ASN HD21 H 1 7.107 0.012 A 102 ASN HD22 H 1 8.110 0.001 A 102 ASN C C 13 172.210 0.000 A 102 ASN CA C 13 54.809 0.190 A 102 ASN CB C 13 43.388 0.023 A 102 ASN N N 15 114.293 0.014 A 102 ASN ND2 N 15 116.939 0.023 A 103 ALA H H 1 7.466 0.007 A 103 ALA HA H 1 3.919 0.010 A 103 ALA HB% H 1 1.163 0.015 A 103 ALA CA C 13 55.185 0.021 A 103 ALA CB C 13 19.377 0.028 A 103 ALA N N 15 130.232 0.018 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 VAL HA A 2 VAL HGx% 1.0 1.646 2.986 2 1 A 2 VAL HA A 2 VAL HGy% 1.0 1.646 2.986 3 2 A 2 VAL HGx% A 2 VAL HB 1.0 1.614 2.872 4 2 A 2 VAL HGy% A 2 VAL HB 1.0 1.614 2.872 5 3 A 4 GLN HB3 A 4 GLN HG3 1.0 1.844 3.918 6 3 A 4 GLN HG2 A 4 GLN HB3 1.0 1.844 3.918 7 3 A 4 GLN HB2 A 4 GLN HG2 1.0 1.844 3.918 8 4 A 5 PHE HBy A 60 LEU HD1% 1.0 1.814 3.744 9 4 A 5 PHE HBy A 55 LEU HD1% 1.0 1.814 3.744 10 5 A 6 LYS HA A 6 LYS HGy 1.0 1.729 3.325 11 5 A 6 LYS HA A 6 LYS HGx 1.0 1.729 3.325 12 6 A 6 LYS HA A 6 LYS HBy 1.0 1.603 2.833 13 6 A 6 LYS HA A 6 LYS HBx 1.0 1.603 2.833 14 7 A 6 LYS HGy A 6 LYS HBx 1.0 1.666 3.064 15 7 A 6 LYS HGx A 6 LYS HBx 1.0 1.666 3.064 16 8 A 6 LYS HGx A 6 LYS HBx 1.0 1.705 3.221 17 8 A 6 LYS HGx A 6 LYS HBy 1.0 1.705 3.221 18 9 A 7 THR HB A 9 SER HBy 1.0 1.873 4.113 19 9 A 7 THR HB A 9 SER HBx 1.0 1.873 4.113 20 10 A 9 SER HBx A 9 SER HA 1.0 1.623 2.903 21 10 A 9 SER HBy A 9 SER HA 1.0 1.623 2.903 22 11 A 10 GLU HA A 10 GLU HBx 1.0 1.686 3.144 23 11 A 10 GLU HA A 10 GLU HBy 1.0 1.686 3.144 24 12 A 10 GLU HBy A 10 GLU H 1.0 1.855 3.991 25 12 A 10 GLU HBx A 10 GLU H 1.0 1.855 3.991 26 13 A 6 LYS HGy A 10 GLU HGy 1.0 1.516 2.548 27 13 A 6 LYS HGy A 10 GLU HGx 1.0 1.516 2.548 28 14 A 11 PHE HA A 14 ALA HB% 1.0 1.768 3.506 29 14 A 11 PHE HA A 23 VAL HGy% 1.0 1.768 3.506 30 15 A 11 PHE HA A 11 PHE HD2 1.0 1.615 2.873 31 15 A 11 PHE HA A 11 PHE H 1.0 1.615 2.873 32 15 A 11 PHE HA A 11 PHE HD1 1.0 1.615 2.873 33 16 A 11 PHE HA A 14 ALA H 1.0 1.778 3.558 34 16 A 11 PHE HA A 12 ASP H 1.0 1.778 3.558 35 17 A 50 ALA HB% A 47 TYR HBy 1.0 1.865 4.055 36 17 A 47 TYR HBx A 50 ALA HB% 1.0 1.865 4.055 37 18 A 12 ASP HA A 12 ASP HBy 1.0 1.555 2.673 38 18 A 12 ASP HA A 12 ASP HBx 1.0 1.555 2.673 39 19 A 14 ALA HB% A 13 SER HBx 1.0 1.835 3.863 40 19 A 14 ALA HB% A 15 ILE HA 1.0 1.835 3.863 41 20 A 15 ILE HB A 15 ILE HG1x 1.0 1.722 3.298 42 20 A 15 ILE HB A 15 ILE HG1y 1.0 1.722 3.298 43 21 A 15 ILE HD1% A 15 ILE H 1.0 1.717 3.271 44 21 A 78 PHE HE1 A 15 ILE HD1% 1.0 1.717 3.271 45 21 A 78 PHE HE2 A 15 ILE HD1% 1.0 1.717 3.271 46 22 A 15 ILE HD1% A 78 PHE HBy 1.0 1.877 4.139 47 22 A 15 ILE HD1% A 78 PHE HBx 1.0 1.877 4.139 48 23 A 15 ILE HG1y A 15 ILE HD1% 1.0 1.469 2.409 49 23 A 15 ILE HG1x A 15 ILE HD1% 1.0 1.469 2.409 50 24 A 15 ILE HB A 15 ILE HG2% 1.0 1.472 2.420 51 24 A 15 ILE HG2% A 21 VAL HGx% 1.0 1.472 2.420 52 25 A 17 GLN HA A 17 GLN HBy 1.0 1.700 3.200 53 25 A 17 GLN HA A 17 GLN HBx 1.0 1.700 3.200 54 26 A 17 GLN HBy A 17 GLN HGy 1.0 1.764 3.486 55 26 A 17 GLN HBx A 17 GLN HGy 1.0 1.764 3.486 56 27 A 19 LYS HB3 A 19 LYS HGy 1.0 1.644 2.982 57 27 A 19 LYS HB3 A 19 LYS HGx 1.0 1.644 2.982 58 28 A 19 LYS HGy A 19 LYS HDy 1.0 1.621 2.895 59 28 A 19 LYS HGy A 19 LYS HDx 1.0 1.621 2.895 60 29 A 21 VAL HA A 20 LEU HDx% 1.0 1.611 2.859 61 29 A 20 LEU HDx% A 22 VAL HA 1.0 1.611 2.859 62 30 A 36 ILE HB A 36 ILE HG1x 1.0 1.775 3.541 63 30 A 36 ILE HG1y A 36 ILE HB 1.0 1.775 3.541 64 31 A 39 MET HA A 42 LYS HBy 1.0 1.534 2.602 65 31 A 39 MET HA A 39 MET HBx 1.0 1.534 2.602 66 32 A 4 GLN HG2 A 4 GLN HB3 1.0 1.642 2.974 67 32 A 4 GLN HB2 A 4 GLN HG2 1.0 1.642 2.974 68 33 A 40 ILE HA A 42 LYS H 1.0 1.902 4.330 69 33 A 40 ILE HA A 41 GLU H 1.0 1.902 4.330 70 34 A 43 PHE HA A 42 LYS HDy 1.0 1.842 3.910 71 34 A 42 LYS HDx A 43 PHE HA 1.0 1.842 3.910 72 35 A 42 LYS HDx A 42 LYS HGy 1.0 1.421 2.275 73 35 A 42 LYS HDx A 42 LYS HGx 1.0 1.421 2.275 74 36 A 45 GLU HA A 45 GLU HBx 1.0 1.479 2.437 75 36 A 45 GLU HA A 45 GLU HBy 1.0 1.479 2.437 76 37 A 42 LYS HGy A 46 GLN HG2 1.0 1.788 3.610 77 37 A 42 LYS HGx A 46 GLN HG2 1.0 1.788 3.610 78 38 A 47 TYR HBy A 47 TYR HA 1.0 1.631 2.933 79 38 A 47 TYR HBx A 47 TYR HA 1.0 1.631 2.933 80 39 A 32 PRO HA A 35 MET HGx 1.0 1.562 2.694 81 39 A 48 PRO HA A 48 PRO HBy 1.0 1.562 2.694 82 39 A 48 PRO HBx A 48 PRO HA 1.0 1.562 2.694 83 40 A 32 PRO HA A 35 MET H 1.0 1.819 3.775 84 40 A 32 PRO HA A 36 ILE H 1.0 1.819 3.775 85 41 A 49 GLN HA A 49 GLN HGx 1.0 1.734 3.346 86 41 A 49 GLN HA A 49 GLN HGy 1.0 1.734 3.346 87 42 A 49 GLN HGy A 49 GLN HBy 1.0 1.754 3.444 88 42 A 49 GLN HGx A 49 GLN HBy 1.0 1.754 3.444 89 43 A 49 GLN HGx A 49 GLN HBx 1.0 1.759 3.463 90 43 A 49 GLN HGy A 49 GLN HBx 1.0 1.759 3.463 91 43 A 49 GLN HGy A 49 GLN HBy 1.0 1.759 3.463 92 44 A 49 GLN HGx A 49 GLN HE21 1.0 1.732 3.342 93 44 A 49 GLN HGy A 49 GLN HE21 1.0 1.732 3.342 94 45 A 50 ALA HB% A 49 GLN HGx 1.0 1.867 4.075 95 45 A 49 GLN HGx A 103 ALA HB% 1.0 1.867 4.075 96 46 A 2 VAL HGy% A 54 LYS HA 1.0 1.731 3.337 97 46 A 75 LEU HA A 77 LEU HDy% 1.0 1.731 3.337 98 47 A 94 ALA HA A 97 GLN HBx 1.0 1.510 2.528 99 47 A 94 ALA HA A 97 GLN HBy 1.0 1.510 2.528 100 48 A 59 GLU HA A 59 GLU HBx 1.0 1.465 2.397 101 48 A 59 GLU HA A 59 GLU HBy 1.0 1.465 2.397 102 49 A 59 GLU HBx A 59 GLU HGy 1.0 1.641 2.971 103 49 A 59 GLU HBx A 59 GLU HGx 1.0 1.641 2.971 104 50 A 63 VAL HGy% A 64 ALA HB% 1.0 1.756 3.446 105 50 A 63 VAL HGy% A 60 LEU HBx 1.0 1.756 3.446 106 51 A 64 ALA HB% A 57 VAL HB 1.0 1.715 3.265 107 51 A 64 ALA HB% A 65 GLN HGy 1.0 1.715 3.265 108 52 A 65 GLN HA A 65 GLN HB2 1.0 1.667 3.069 109 52 A 65 GLN HB3 A 65 GLN HA 1.0 1.667 3.069 110 53 A 82 LYS HBx A 82 LYS HA 1.0 1.806 3.698 111 53 A 86 LYS HBy A 86 LYS HA 1.0 1.806 3.698 112 54 A 74 THR HG2% A 25 PHE H 1.0 1.833 3.861 113 54 A 74 THR HG2% A 76 LEU H 1.0 1.833 3.861 114 55 A 75 LEU HB3 A 76 LEU HA 1.0 1.840 3.898 115 55 A 75 LEU HB3 A 24 ALA HA 1.0 1.840 3.898 116 56 A 76 LEU HA A 76 LEU HG 1.0 1.783 3.579 117 56 A 76 LEU HA A 77 LEU HG 1.0 1.783 3.579 118 57 A 76 LEU HA A 76 LEU HDy% 1.0 1.478 2.434 119 57 A 86 LYS HA A 76 LEU HDy% 1.0 1.478 2.434 120 58 A 86 LYS HBy A 86 LYS HGx 1.0 1.715 3.265 121 58 A 86 LYS HBy A 86 LYS HGy 1.0 1.715 3.265 122 59 A 24 ALA HA A 75 LEU HDx% 1.0 1.634 2.944 123 59 A 86 LYS HA A 86 LYS HGy 1.0 1.634 2.944 124 60 A 77 LEU HBy A 77 LEU HDx% 1.0 1.791 3.623 125 60 A 77 LEU HDy% A 77 LEU HBy 1.0 1.791 3.623 126 61 A 77 LEU HDy% A 77 LEU HG 1.0 1.559 2.685 127 61 A 77 LEU HG A 77 LEU HDx% 1.0 1.559 2.685 128 62 A 77 LEU HDy% A 22 VAL HB 1.0 1.411 2.249 129 62 A 77 LEU HDx% A 77 LEU HBx 1.0 1.411 2.249 130 63 A 78 PHE HBy A 78 PHE HA 1.0 1.629 2.925 131 63 A 78 PHE HBx A 78 PHE HA 1.0 1.629 2.925 132 64 A 78 PHE HA A 83 GLU HBy 1.0 1.838 3.882 133 64 A 78 PHE HA A 83 GLU HBx 1.0 1.838 3.882 134 64 A 78 PHE HA A 79 LYS HBy 1.0 1.838 3.882 135 65 A 82 LYS HE3 A 82 LYS HDx 1.0 1.670 3.082 136 65 A 82 LYS HDy A 82 LYS HE3 1.0 1.670 3.082 137 66 A 83 GLU HBx A 83 GLU HA 1.0 1.562 2.696 138 66 A 83 GLU HBy A 83 GLU HA 1.0 1.562 2.696 139 67 A 79 LYS HBx A 84 VAL HGx% 1.0 1.644 2.982 140 67 A 77 LEU HG A 84 VAL HGx% 1.0 1.644 2.982 141 68 A 94 ALA HA A 95 ILE H 1.0 1.548 2.650 142 68 A 94 ALA HA A 97 GLN H 1.0 1.548 2.650 143 69 A 96 LYS HA A 99 ILE H 1.0 1.751 3.423 144 69 A 97 GLN H A 96 LYS HA 1.0 1.751 3.423 145 70 A 98 ALA HA A 98 ALA H 1.0 1.528 2.586 146 70 A 103 ALA HA A 103 ALA H 1.0 1.528 2.586 147 71 A 103 ALA HB% A 103 ALA HA 1.0 1.349 2.087 148 71 A 98 ALA HA A 98 ALA HB% 1.0 1.349 2.087 149 72 A 99 ILE HA A 102 ASN H 1.0 1.855 3.991 150 72 A 99 ILE HA A 102 ASN HD21 1.0 1.855 3.991 151 73 A 103 ALA HB% A 99 ILE HA 1.0 1.719 3.285 152 73 A 99 ILE HA A 99 ILE HB 1.0 1.719 3.285 153 74 A 99 ILE HD1% A 47 TYR HD1 1.0 1.713 3.255 154 74 A 99 ILE HD1% A 47 TYR HD2 1.0 1.713 3.255 155 74 A 43 PHE HD1 A 99 ILE HD1% 1.0 1.713 3.255 156 74 A 43 PHE HD2 A 99 ILE HD1% 1.0 1.713 3.255 157 75 A 102 ASN HD21 A 101 ALA HB% 1.0 1.586 2.776 158 75 A 101 ALA HB% A 102 ASN H 1.0 1.586 2.776 159 76 A 102 ASN HD21 A 102 ASN HBy 1.0 1.789 3.613 160 76 A 102 ASN HBy A 102 ASN H 1.0 1.789 3.613 161 77 A 47 TYR HBy A 103 ALA HB% 1.0 1.790 3.618 162 77 A 47 TYR HBx A 103 ALA HB% 1.0 1.790 3.618 163 78 A 92 PRO HA A 95 ILE HB 1.0 1.840 3.898 164 78 A 92 PRO HA A 92 PRO HG3 1.0 1.840 3.898 165 79 A 55 LEU HD1% A 55 LEU HG 1.0 1.475 2.429 166 79 A 55 LEU HD1% A 60 LEU HG 1.0 1.475 2.429 167 80 A 90 ALA HB% A 32 PRO HB2 1.0 1.681 3.123 168 80 A 32 PRO HB3 A 90 ALA HB% 1.0 1.681 3.123 169 81 A 53 TYR HA A 53 TYR HBy 1.0 1.889 4.225 170 81 A 53 TYR HA A 53 TYR HBx 1.0 1.889 4.225 171 82 A 96 LYS H A 93 ALA HA 1.0 1.737 3.359 172 82 A 94 ALA HA A 96 LYS H 1.0 1.737 3.359 173 83 A 32 PRO HB3 A 32 PRO HG3 1.0 1.579 2.749 174 83 A 32 PRO HB2 A 32 PRO HG3 1.0 1.579 2.749 175 83 A 32 PRO HB3 A 32 PRO HG2 1.0 1.579 2.749 176 84 A 88 VAL HB A 88 VAL HGx% 1.0 1.476 2.430 177 84 A 87 VAL HB A 87 VAL HGy% 1.0 1.476 2.430 178 84 A 63 VAL HB A 63 VAL HGx% 1.0 1.476 2.430 179 85 A 90 ALA HB% A 32 PRO HG2 1.0 1.621 2.897 180 85 A 90 ALA HB% A 32 PRO HG3 1.0 1.621 2.897 181 86 A 32 PRO HG2 A 32 PRO HD3 1.0 1.854 3.984 182 86 A 32 PRO HG3 A 32 PRO HD3 1.0 1.854 3.984 183 87 A 30 CYS HBy A 32 PRO HD2 1.0 1.817 3.765 184 87 A 30 CYS HBy A 30 CYS HA 1.0 1.817 3.765 185 88 A 4 GLN H A 54 LYS H 1.0 1.969 5.037 186 88 A 4 GLN H A 5 PHE H 1.0 1.969 5.037 187 89 A 6 LYS HBx A 6 LYS H 1.0 1.717 3.273 188 89 A 6 LYS HBy A 6 LYS H 1.0 1.717 3.273 189 90 A 10 GLU HGx A 7 THR H 1.0 1.879 4.149 190 90 A 10 GLU HGy A 7 THR H 1.0 1.879 4.149 191 91 A 9 SER HBy A 9 SER H 1.0 1.843 3.915 192 91 A 9 SER HBx A 9 SER H 1.0 1.843 3.915 193 92 A 99 ILE H A 98 ALA H 1.0 1.751 3.427 194 92 A 47 TYR H A 46 GLN H 1.0 1.751 3.427 195 92 A 40 ILE H A 41 GLU H 1.0 1.751 3.427 196 93 A 13 SER H A 13 SER HBy 1.0 1.690 3.162 197 93 A 13 SER HA A 13 SER H 1.0 1.690 3.162 198 94 A 13 SER HA A 16 ALA H 1.0 1.692 3.168 199 94 A 14 ALA HA A 16 ALA H 1.0 1.692 3.168 200 95 A 15 ILE H A 16 ALA H 1.0 1.603 2.833 201 95 A 17 GLN H A 16 ALA H 1.0 1.603 2.833 202 96 A 17 GLN H A 16 ALA HA 1.0 1.741 3.379 203 96 A 14 ALA HA A 17 GLN H 1.0 1.741 3.379 204 97 A 17 GLN HBx A 19 LYS H 1.0 1.700 3.202 205 97 A 17 GLN HBy A 19 LYS H 1.0 1.700 3.202 206 98 A 19 LYS HGx A 19 LYS H 1.0 1.648 2.996 207 98 A 19 LYS HGy A 19 LYS H 1.0 1.648 2.996 208 99 A 22 VAL H A 21 VAL H 1.0 1.903 4.337 209 99 A 24 ALA H A 25 PHE H 1.0 1.903 4.337 210 100 A 22 VAL H A 20 LEU HDy% 1.0 1.800 3.672 211 100 A 2 VAL HGy% A 24 ALA H 1.0 1.800 3.672 212 100 A 77 LEU HDy% A 22 VAL H 1.0 1.800 3.672 213 100 A 77 LEU HDx% A 22 VAL H 1.0 1.800 3.672 214 101 A 22 VAL H A 23 VAL H 1.0 1.943 4.713 215 101 A 24 ALA H A 23 VAL H 1.0 1.943 4.713 216 102 A 33 CYS H A 35 MET H 1.0 1.983 5.293 217 102 A 33 CYS H A 36 ILE H 1.0 1.983 5.293 218 103 A 39 MET H A 41 GLU H 1.0 1.884 4.194 219 103 A 37 ALA H A 39 MET H 1.0 1.884 4.194 220 104 A 44 SER HBy A 41 GLU H 1.0 1.975 5.123 221 104 A 43 PHE HBx A 41 GLU H 1.0 1.975 5.123 222 105 A 40 ILE HA A 42 LYS H 1.0 1.897 4.291 223 105 A 41 GLU HA A 42 LYS H 1.0 1.897 4.291 224 106 A 42 LYS HBx A 42 LYS H 1.0 1.587 2.779 225 106 A 42 LYS HBy A 42 LYS H 1.0 1.587 2.779 226 107 A 45 GLU HBx A 44 SER H 1.0 1.955 4.843 227 107 A 45 GLU HBy A 44 SER H 1.0 1.955 4.843 228 108 A 44 SER H A 42 LYS H 1.0 1.855 3.993 229 108 A 44 SER H A 46 GLN H 1.0 1.855 3.993 230 109 A 43 PHE HD1 A 44 SER H 1.0 1.927 4.537 231 109 A 43 PHE HD2 A 44 SER H 1.0 1.927 4.537 232 109 A 47 TYR HD1 A 44 SER H 1.0 1.927 4.537 233 109 A 47 TYR HD2 A 44 SER H 1.0 1.927 4.537 234 110 A 45 GLU HBx A 45 GLU H 1.0 1.611 2.859 235 110 A 45 GLU HBy A 45 GLU H 1.0 1.611 2.859 236 111 A 42 LYS HBx A 45 GLU H 1.0 1.977 5.179 237 111 A 42 LYS HBy A 45 GLU H 1.0 1.977 5.179 238 112 A 43 PHE HD2 A 45 GLU H 1.0 1.897 4.285 239 112 A 43 PHE HD1 A 45 GLU H 1.0 1.897 4.285 240 112 A 47 TYR HD2 A 45 GLU H 1.0 1.897 4.285 241 112 A 47 TYR HD1 A 45 GLU H 1.0 1.897 4.285 242 113 A 46 GLN HB2 A 46 GLN H 1.0 1.925 4.527 243 113 A 46 GLN HB3 A 46 GLN H 1.0 1.925 4.527 244 114 A 47 TYR HBx A 47 TYR H 1.0 1.705 3.219 245 114 A 47 TYR HBy A 47 TYR H 1.0 1.705 3.219 246 115 A 47 TYR HBy A 49 GLN H 1.0 1.972 5.084 247 115 A 47 TYR HBx A 49 GLN H 1.0 1.972 5.084 248 116 A 48 PRO HA A 49 GLN H 1.0 1.782 3.576 249 116 A 49 GLN HA A 49 GLN H 1.0 1.782 3.576 250 117 A 47 TYR HBx A 50 ALA H 1.0 1.904 4.346 251 117 A 47 TYR HBy A 50 ALA H 1.0 1.904 4.346 252 118 A 52 PHE H A 22 VAL HGy% 1.0 1.982 5.266 253 118 A 2 VAL HGx% A 52 PHE H 1.0 1.982 5.266 254 119 A 22 VAL H A 53 TYR H 1.0 1.873 4.107 255 119 A 24 ALA H A 53 TYR H 1.0 1.873 4.107 256 119 A 52 PHE H A 53 TYR H 1.0 1.873 4.107 257 120 A 59 GLU HGx A 58 ASP H 1.0 1.959 4.901 258 120 A 59 GLU HGy A 58 ASP H 1.0 1.959 4.901 259 121 A 61 GLY H A 63 VAL H 1.0 1.956 4.868 260 121 A 61 GLY H A 64 ALA H 1.0 1.956 4.868 261 122 A 86 LYS H A 87 VAL HA 1.0 1.936 4.640 262 122 A 62 ASP HA A 66 LYS H 1.0 1.936 4.640 263 123 A 63 VAL HGy% A 67 ASN H 1.0 1.910 4.394 264 123 A 67 ASN H A 69 VAL HGy% 1.0 1.910 4.394 265 124 A 75 LEU HDy% A 75 LEU H 1.0 1.744 3.392 266 124 A 74 THR HG2% A 75 LEU H 1.0 1.744 3.392 267 125 A 77 LEU HBx A 77 LEU H 1.0 1.635 2.947 268 125 A 85 ALA HB% A 77 LEU H 1.0 1.635 2.947 269 126 A 84 VAL H A 77 LEU H 1.0 1.893 4.259 270 126 A 77 LEU H A 76 LEU H 1.0 1.893 4.259 271 127 A 77 LEU HBx A 84 VAL H 1.0 1.885 4.201 272 127 A 85 ALA HB% A 84 VAL H 1.0 1.885 4.201 273 128 A 85 ALA H A 85 ALA HA 1.0 1.698 3.196 274 128 A 84 VAL HA A 85 ALA H 1.0 1.698 3.196 275 129 A 63 VAL H A 66 LYS H 1.0 1.876 4.128 276 129 A 64 ALA H A 66 LYS H 1.0 1.876 4.128 277 130 A 92 PRO HG3 A 91 ASN H 1.0 1.946 4.740 278 130 A 36 ILE HB A 91 ASN H 1.0 1.946 4.740 279 131 A 91 ASN H A 36 ILE HG2% 1.0 1.727 3.317 280 131 A 91 ASN H A 87 VAL HGx% 1.0 1.727 3.317 281 132 A 93 ALA HA A 94 ALA H 1.0 1.670 3.080 282 132 A 94 ALA HA A 94 ALA H 1.0 1.670 3.080 283 133 A 94 ALA H A 94 ALA HB% 1.0 1.505 2.513 284 133 A 94 ALA H A 93 ALA HB% 1.0 1.505 2.513 285 134 A 94 ALA HA A 95 ILE H 1.0 1.848 3.948 286 134 A 95 ILE H A 93 ALA HA 1.0 1.848 3.948 287 134 A 95 ILE H A 92 PRO HA 1.0 1.848 3.948 288 135 A 95 ILE H A 96 LYS H 1.0 1.630 2.930 289 135 A 97 GLN H A 96 LYS H 1.0 1.630 2.930 290 136 A 100 ALA HB% A 101 ALA H 1.0 1.526 2.580 291 136 A 101 ALA HB% A 101 ALA H 1.0 1.526 2.580 292 137 A 97 GLN H A 98 ALA HB% 1.0 1.853 3.977 293 137 A 97 GLN H A 96 LYS HGx 1.0 1.853 3.977 294 137 A 98 ALA HB% A 101 ALA H 1.0 1.853 3.977 295 138 A 99 ILE H A 98 ALA H 1.0 1.575 2.737 296 138 A 97 GLN H A 98 ALA H 1.0 1.575 2.737 297 139 A 42 LYS HDy A 42 LYS H 1.0 1.917 4.451 298 139 A 42 LYS HDx A 42 LYS H 1.0 1.917 4.451 299 140 A 11 PHE HD2 A 12 ASP H 1.0 1.668 3.070 300 140 A 11 PHE HD1 A 12 ASP H 1.0 1.668 3.070 301 140 A 12 ASP H A 11 PHE H 1.0 1.668 3.070 302 141 A 99 ILE H A 100 ALA H 1.0 1.602 2.828 303 141 A 100 ALA H A 101 ALA H 1.0 1.602 2.828 304 142 A 77 LEU HDx% A 101 ALA H 1.0 1.988 5.400 305 142 A 99 ILE HG2% A 101 ALA H 1.0 1.988 5.400 306 143 A 103 ALA H A 100 ALA H 1.0 1.947 4.749 307 143 A 103 ALA H A 102 ASN HD22 1.0 1.947 4.749 308 144 A 24 ALA HA A 23 VAL H 1.0 1.981 5.245 309 144 A 76 LEU HA A 23 VAL H 1.0 1.981 5.245 310 145 A 49 GLN HGx A 49 GLN HE22 1.0 1.824 3.802 311 145 A 49 GLN HGy A 49 GLN HE22 1.0 1.824 3.802 312 146 A 32 PRO HB2 A 33 CYS H 1.0 1.987 5.353 313 146 A 32 PRO HB3 A 33 CYS H 1.0 1.987 5.353 314 147 A 14 ALA HB% A 53 TYR HE2 1.0 1.575 2.737 315 147 A 53 TYR HE1 A 3 THR HG2% 1.0 1.575 2.737 316 147 A 14 ALA HB% A 53 TYR HE1 1.0 1.575 2.737 317 147 A 3 THR HG2% A 53 TYR HE2 1.0 1.575 2.737 318 148 A 14 ALA HB% A 5 PHE HE2 1.0 1.595 2.807 319 148 A 23 VAL HGy% A 5 PHE HE2 1.0 1.595 2.807 320 148 A 23 VAL HGy% A 5 PHE HE1 1.0 1.595 2.807 321 148 A 14 ALA HB% A 5 PHE HE1 1.0 1.595 2.807 322 149 A 1 MET HBx A 1 MET HA 1.0 1.712 3.250 323 150 A 1 MET HBx A 1 MET HGy 1.0 1.757 3.457 324 151 A 13 SER HA A 16 ALA HB% 1.0 1.688 3.152 325 152 A 2 VAL HA A 2 VAL HGy% 1.0 1.621 2.897 326 153 A 2 VAL HA A 3 THR H 1.0 1.553 2.667 327 154 A 2 VAL HA A 52 PHE HBy 1.0 1.788 3.606 328 155 A 2 VAL HB A 44 SER HBy 1.0 1.715 3.267 329 156 A 2 VAL HA A 2 VAL HB 1.0 1.872 4.104 330 157 A 2 VAL HGy% A 2 VAL HB 1.0 1.540 2.624 331 158 A 2 VAL HGy% A 54 LYS H 1.0 1.795 3.645 332 159 A 2 VAL HGy% A 3 THR H 1.0 1.727 3.319 333 160 A 2 VAL HGy% A 53 TYR HA 1.0 1.703 3.215 334 161 A 2 VAL HGy% A 52 PHE HBy 1.0 1.764 3.486 335 162 A 2 VAL HGx% A 52 PHE HBy 1.0 1.669 3.077 336 163 A 2 VAL HA A 2 VAL HGx% 1.0 1.641 2.971 337 164 A 3 THR HB A 3 THR H 1.0 1.686 3.146 338 165 A 3 THR HB A 53 TYR HD2 1.0 1.730 3.332 339 165 A 3 THR HB A 53 TYR HD1 1.0 1.730 3.332 340 166 A 3 THR HB A 3 THR HA 1.0 1.785 3.593 341 167 A 4 GLN H A 3 THR HG2% 1.0 1.643 2.975 342 168 A 3 THR HG2% A 3 THR H 1.0 1.738 3.364 343 169 A 3 THR HG2% A 3 THR HA 1.0 1.613 2.865 344 170 A 3 THR HG2% A 3 THR HB 1.0 1.531 2.597 345 171 A 53 TYR HBx A 3 THR HG2% 1.0 1.512 2.536 346 172 A 5 PHE H A 5 PHE HA 1.0 1.812 3.732 347 173 A 5 PHE HBy A 5 PHE HBx 1.0 1.592 2.794 348 174 A 5 PHE HBx A 5 PHE HD1 1.0 1.840 3.896 349 174 A 5 PHE HBx A 5 PHE HD2 1.0 1.840 3.896 350 175 A 60 LEU HD1% A 6 LYS HA 1.0 1.840 3.894 351 176 A 6 LYS HA A 7 THR H 1.0 1.853 3.973 352 177 A 6 LYS HA A 6 LYS H 1.0 1.771 3.521 353 178 A 6 LYS HBx A 6 LYS H 1.0 1.808 3.714 354 179 A 6 LYS HA A 6 LYS HBx 1.0 1.798 3.658 355 180 A 6 LYS HBy A 6 LYS H 1.0 1.841 3.905 356 181 A 6 LYS HA A 6 LYS HBy 1.0 1.702 3.208 357 182 A 6 LYS HDy A 6 LYS HE3 1.0 1.544 2.638 358 183 A 6 LYS HA A 6 LYS HGy 1.0 1.792 3.628 359 184 A 7 THR HA A 7 THR HG2% 1.0 1.753 3.437 360 185 A 10 GLU H A 7 THR HA 1.0 1.850 3.956 361 186 A 7 THR HB A 8 ALA H 1.0 1.633 2.939 362 187 A 7 THR HB A 9 SER H 1.0 1.873 4.111 363 188 A 7 THR HB A 7 THR HA 1.0 1.478 2.434 364 189 A 7 THR HB A 7 THR HG2% 1.0 1.551 2.657 365 190 A 8 ALA H A 8 ALA HA 1.0 1.740 3.374 366 191 A 11 PHE HD2 A 8 ALA HA 1.0 1.730 3.332 367 191 A 11 PHE HD1 A 8 ALA HA 1.0 1.730 3.332 368 192 A 8 ALA HA A 11 PHE HBx 1.0 1.701 3.205 369 193 A 8 ALA HA A 8 ALA HB% 1.0 1.373 2.147 370 194 A 63 VAL HGx% A 8 ALA HA 1.0 1.571 2.725 371 195 A 99 ILE HD1% A 100 ALA HA 1.0 1.780 3.566 372 196 A 8 ALA H A 8 ALA HB% 1.0 1.550 2.656 373 197 A 9 SER HA A 12 ASP HBy 1.0 1.643 2.975 374 198 A 9 SER HA A 8 ALA HB% 1.0 1.862 4.038 375 199 A 9 SER HA A 10 GLU H 1.0 1.776 3.548 376 200 A 9 SER HA A 9 SER H 1.0 1.837 3.877 377 201 A 9 SER HBy A 9 SER H 1.0 1.848 3.946 378 202 A 9 SER HBy A 10 GLU H 1.0 1.844 3.924 379 203 A 39 MET HBy A 39 MET H 1.0 1.870 4.090 380 204 A 57 VAL HB A 57 VAL H 1.0 1.880 4.156 381 205 A 48 PRO HBx A 48 PRO HA 1.0 1.686 3.144 382 206 A 11 PHE HA A 11 PHE HBy 1.0 1.596 2.810 383 207 A 47 TYR HBx A 47 TYR HA 1.0 1.893 4.253 384 208 A 47 TYR HBx A 47 TYR HD1 1.0 1.799 3.661 385 208 A 47 TYR HBx A 47 TYR HD2 1.0 1.799 3.661 386 209 A 47 TYR HBx A 47 TYR H 1.0 1.873 4.111 387 210 A 12 ASP H A 11 PHE HBy 1.0 1.852 3.970 388 211 A 11 PHE HD2 A 11 PHE HBy 1.0 1.669 3.073 389 211 A 11 PHE HD1 A 11 PHE HBy 1.0 1.669 3.073 390 212 A 11 PHE HBx A 11 PHE HBy 1.0 1.516 2.550 391 213 A 83 GLU HA A 83 GLU H 1.0 1.705 3.221 392 214 A 68 GLU HA A 68 GLU H 1.0 1.446 2.342 393 215 A 11 PHE HD2 A 12 ASP HA 1.0 1.718 3.276 394 215 A 11 PHE HD1 A 12 ASP HA 1.0 1.718 3.276 395 216 A 78 PHE HA A 83 GLU HA 1.0 1.621 2.895 396 217 A 12 ASP HA A 15 ILE HD1% 1.0 1.762 3.476 397 218 A 12 ASP HA A 12 ASP HBx 1.0 1.759 3.465 398 219 A 12 ASP H A 12 ASP HBx 1.0 1.737 3.359 399 220 A 13 SER HA A 13 SER H 1.0 1.627 2.919 400 221 A 13 SER HBx A 13 SER HBy 1.0 1.535 2.607 401 222 A 93 ALA HA A 93 ALA HB% 1.0 1.423 2.281 402 223 A 14 ALA HB% A 14 ALA H 1.0 1.529 2.589 403 224 A 14 ALA HB% A 5 PHE HE2 1.0 1.562 2.694 404 224 A 14 ALA HB% A 5 PHE HE1 1.0 1.562 2.694 405 225 A 14 ALA HB% A 14 ALA HA 1.0 1.515 2.545 406 226 A 11 PHE HA A 14 ALA HB% 1.0 1.721 3.289 407 227 A 14 ALA HB% A 21 VAL HB 1.0 1.775 3.541 408 228 A 14 ALA HB% A 15 ILE HG2% 1.0 1.785 3.593 409 229 A 15 ILE HA A 15 ILE HG2% 1.0 1.572 2.728 410 230 A 15 ILE HA A 15 ILE HD1% 1.0 1.873 4.107 411 231 A 15 ILE HA A 15 ILE HB 1.0 1.500 2.500 412 232 A 15 ILE HA A 78 PHE HBx 1.0 1.840 3.894 413 233 A 15 ILE HA A 15 ILE H 1.0 1.698 3.190 414 234 A 15 ILE HB A 15 ILE HG2% 1.0 1.645 2.983 415 235 A 15 ILE HB A 78 PHE HD1 1.0 1.896 4.276 416 235 A 15 ILE HB A 78 PHE HD2 1.0 1.896 4.276 417 236 A 15 ILE HB A 15 ILE H 1.0 1.866 4.060 418 237 A 15 ILE HD1% A 16 ALA HB% 1.0 1.868 4.074 419 238 A 15 ILE HB A 15 ILE HD1% 1.0 1.583 2.765 420 239 A 15 ILE HD1% A 15 ILE HG2% 1.0 1.537 2.613 421 240 A 12 ASP HA A 15 ILE HG1x 1.0 1.828 3.826 422 241 A 15 ILE HB A 15 ILE HG1x 1.0 1.810 3.722 423 242 A 15 ILE HG1x A 15 ILE HD1% 1.0 1.713 3.259 424 243 A 15 ILE HG1x A 15 ILE HG2% 1.0 1.784 3.586 425 244 A 15 ILE HG1y A 15 ILE HD1% 1.0 1.758 3.456 426 245 A 78 PHE HBx A 15 ILE HG2% 1.0 1.732 3.336 427 246 A 15 ILE HG2% A 21 VAL HB 1.0 1.840 3.896 428 247 A 15 ILE HG1y A 15 ILE HG2% 1.0 1.584 2.768 429 248 A 16 ALA HA A 81 GLY HAy 1.0 1.718 3.276 430 249 A 16 ALA HA A 80 ASN HA 1.0 1.716 3.266 431 250 A 16 ALA HA A 16 ALA H 1.0 1.672 3.088 432 251 A 17 GLN H A 16 ALA HA 1.0 1.710 3.246 433 252 A 17 GLN H A 16 ALA HB% 1.0 1.708 3.236 434 253 A 16 ALA HB% A 16 ALA H 1.0 1.465 2.397 435 254 A 16 ALA HA A 16 ALA HB% 1.0 1.422 2.276 436 255 A 17 GLN HA A 16 ALA HB% 1.0 1.825 3.807 437 256 A 17 GLN HA A 17 GLN HGy 1.0 1.570 2.718 438 257 A 17 GLN HA A 17 GLN HGx 1.0 1.721 3.291 439 258 A 17 GLN HA A 17 GLN H 1.0 1.695 3.183 440 259 A 17 GLN HA A 18 ASP H 1.0 1.600 2.822 441 260 A 17 GLN HBx A 17 GLN HGy 1.0 1.652 3.012 442 261 A 14 ALA HA A 17 GLN HGx 1.0 1.882 4.178 443 262 A 17 GLN HBy A 17 GLN HGx 1.0 1.830 3.836 444 263 A 17 GLN HGy A 17 GLN H 1.0 1.834 3.866 445 264 A 17 GLN HGy A 17 GLN HGx 1.0 1.488 2.464 446 265 A 18 ASP HBy A 18 ASP HBx 1.0 1.304 1.976 447 266 A 62 ASP HA A 62 ASP HBy 1.0 1.649 3.001 448 267 A 19 LYS HA A 20 LEU H 1.0 1.468 2.406 449 268 A 19 LYS H A 19 LYS HA 1.0 1.641 2.971 450 269 A 19 LYS HB3 A 19 LYS HA 1.0 1.438 2.320 451 270 A 19 LYS HA A 19 LYS HEx 1.0 1.786 3.594 452 271 A 19 LYS HB3 A 19 LYS H 1.0 1.848 3.950 453 272 A 19 LYS HB3 A 19 LYS HEx 1.0 1.781 3.567 454 273 A 19 LYS HGy A 19 LYS H 1.0 1.794 3.636 455 274 A 25 PHE HA A 25 PHE H 1.0 1.823 3.797 456 275 A 25 PHE HA A 25 PHE HBy 1.0 1.835 3.865 457 276 A 25 PHE HA A 57 VAL HGy% 1.0 1.799 3.663 458 277 A 20 LEU H A 20 LEU HBy 1.0 1.808 3.714 459 278 A 20 LEU HBy A 20 LEU HG 1.0 1.573 2.731 460 279 A 20 LEU HDx% A 20 LEU HBy 1.0 1.888 4.222 461 280 A 20 LEU HDy% A 20 LEU HBy 1.0 1.812 3.740 462 281 A 60 LEU HD1% A 8 ALA H 1.0 1.736 3.354 463 282 A 20 LEU HDy% A 102 ASN HBx 1.0 1.764 3.488 464 283 A 20 LEU HDx% A 22 VAL HGx% 1.0 1.515 2.547 465 284 A 20 LEU HG A 22 VAL HGx% 1.0 1.849 3.955 466 285 A 20 LEU HDx% A 20 LEU HG 1.0 1.750 3.420 467 286 A 88 VAL HA A 89 GLY H 1.0 1.545 2.637 468 287 A 88 VAL HA A 74 THR HA 1.0 1.631 2.935 469 288 A 21 VAL HA A 21 VAL HB 1.0 1.772 3.526 470 289 A 88 VAL HA A 88 VAL HGy% 1.0 1.575 2.739 471 290 A 21 VAL HGx% A 21 VAL HB 1.0 1.653 3.017 472 291 A 21 VAL HGx% A 23 VAL H 1.0 1.700 3.202 473 292 A 21 VAL HGx% A 22 VAL H 1.0 1.832 3.846 474 293 A 15 ILE H A 21 VAL HGx% 1.0 1.732 3.342 475 294 A 21 VAL HGx% A 5 PHE HE1 1.0 1.627 2.919 476 294 A 21 VAL HGx% A 5 PHE HE2 1.0 1.627 2.919 477 295 A 15 ILE HG2% A 21 VAL HGx% 1.0 1.782 3.578 478 296 A 84 VAL HA A 84 VAL HGy% 1.0 1.508 2.522 479 297 A 22 VAL HA A 22 VAL HGy% 1.0 1.687 3.147 480 298 A 22 VAL HA A 77 LEU HBy 1.0 1.707 3.231 481 299 A 53 TYR HBy A 23 VAL HA 1.0 1.489 2.467 482 300 A 84 VAL HA A 85 ALA H 1.0 1.753 3.435 483 301 A 22 VAL HA A 23 VAL H 1.0 1.572 2.728 484 302 A 22 VAL HB A 22 VAL H 1.0 1.738 3.366 485 303 A 53 TYR H A 22 VAL HGx% 1.0 1.871 4.095 486 304 A 22 VAL H A 22 VAL HGx% 1.0 1.665 3.061 487 305 A 22 VAL HGx% A 52 PHE HA 1.0 1.826 3.814 488 306 A 22 VAL HGy% A 22 VAL HGx% 1.0 1.626 2.918 489 307 A 22 VAL HB A 22 VAL HGy% 1.0 1.581 2.757 490 308 A 23 VAL HA A 23 VAL HB 1.0 1.876 4.136 491 309 A 55 LEU HG A 23 VAL HGx% 1.0 1.457 2.375 492 310 A 23 VAL HGy% A 15 ILE HG2% 1.0 1.787 3.603 493 311 A 11 PHE HA A 23 VAL HGy% 1.0 1.736 3.358 494 312 A 23 VAL HGy% A 11 PHE HD2 1.0 1.574 2.736 495 312 A 23 VAL HGy% A 11 PHE HD1 1.0 1.574 2.736 496 313 A 23 VAL HGy% A 53 TYR HD1 1.0 1.895 4.267 497 313 A 23 VAL HGy% A 53 TYR HD2 1.0 1.895 4.267 498 314 A 24 ALA HA A 25 PHE H 1.0 1.542 2.632 499 315 A 24 ALA HA A 24 ALA H 1.0 1.822 3.788 500 316 A 24 ALA HA A 55 LEU H 1.0 1.851 3.961 501 317 A 24 ALA HA A 74 THR H 1.0 1.802 3.680 502 318 A 24 ALA HA A 75 LEU HDx% 1.0 1.700 3.200 503 319 A 24 ALA HA A 25 PHE HBy 1.0 1.895 4.275 504 320 A 24 ALA HB% A 25 PHE H 1.0 1.767 3.503 505 321 A 24 ALA H A 24 ALA HB% 1.0 1.585 2.773 506 322 A 54 LYS HA A 24 ALA HB% 1.0 1.686 3.144 507 323 A 24 ALA HA A 24 ALA HB% 1.0 1.565 2.705 508 324 A 24 ALA HB% A 54 LYS HDx 1.0 1.625 2.911 509 325 A 75 LEU HDx% A 24 ALA HB% 1.0 1.542 2.632 510 326 A 25 PHE HA A 25 PHE HBx 1.0 1.756 3.450 511 327 A 25 PHE HA A 26 TYR H 1.0 1.579 2.753 512 328 A 25 PHE HBy A 69 VAL HGx% 1.0 1.910 4.396 513 329 A 25 PHE HBx A 25 PHE H 1.0 1.842 3.914 514 330 A 25 PHE HBy A 25 PHE HBx 1.0 1.593 2.797 515 331 A 25 PHE HBx A 69 VAL HGx% 1.0 1.843 3.911 516 332 A 77 LEU HA A 78 PHE H 1.0 1.558 2.684 517 333 A 77 LEU HA A 77 LEU H 1.0 1.810 3.726 518 334 A 22 VAL HA A 77 LEU HA 1.0 1.677 3.107 519 335 A 77 LEU HDy% A 77 LEU HA 1.0 1.732 3.336 520 336 A 27 ALA HA A 28 THR H 1.0 1.673 3.089 521 337 A 57 VAL H A 27 ALA HA 1.0 1.834 3.862 522 338 A 27 ALA HA A 27 ALA H 1.0 1.759 3.461 523 339 A 27 ALA HA A 27 ALA HB% 1.0 1.578 2.746 524 340 A 27 ALA HA A 57 VAL HGx% 1.0 1.834 3.860 525 341 A 27 ALA HB% A 29 TRP HE1 1.0 1.851 3.965 526 342 A 28 THR H A 27 ALA HB% 1.0 1.885 4.199 527 343 A 57 VAL H A 27 ALA HB% 1.0 1.871 4.097 528 344 A 27 ALA HB% A 29 TRP HD1 1.0 1.841 3.901 529 345 A 27 ALA H A 27 ALA HB% 1.0 1.815 3.755 530 346 A 27 ALA HB% A 29 TRP H 1.0 1.853 3.975 531 347 A 28 THR HB A 28 THR HG2% 1.0 1.513 2.539 532 348 A 28 THR H A 28 THR HB 1.0 1.822 3.788 533 349 A 28 THR H A 28 THR HA 1.0 1.789 3.611 534 350 A 29 TRP H A 28 THR HA 1.0 1.826 3.810 535 351 A 28 THR HB A 28 THR HA 1.0 1.551 2.661 536 352 A 28 THR HG2% A 28 THR HA 1.0 1.560 2.690 537 353 A 94 ALA H A 93 ALA HB% 1.0 1.628 2.924 538 354 A 29 TRP HA A 29 TRP HBx 1.0 1.614 2.874 539 355 A 29 TRP HA A 29 TRP HBy 1.0 1.666 3.062 540 356 A 29 TRP H A 29 TRP HA 1.0 1.800 3.672 541 357 A 29 TRP HD1 A 29 TRP HA 1.0 1.868 4.080 542 358 A 29 TRP HBx A 29 TRP HBy 1.0 1.572 2.730 543 359 A 29 TRP H A 29 TRP HBy 1.0 1.821 3.785 544 360 A 29 TRP HD1 A 29 TRP HBy 1.0 1.873 4.117 545 361 A 29 TRP HD1 A 29 TRP HBx 1.0 1.857 4.003 546 362 A 33 CYS HA A 37 ALA HB% 1.0 1.820 3.776 547 363 A 65 GLN HA A 69 VAL H 1.0 1.692 3.170 548 364 A 46 GLN HB3 A 46 GLN HA 1.0 1.461 2.385 549 365 A 34 LYS HB2 A 34 LYS HA 1.0 1.768 3.510 550 366 A 35 MET HA A 35 MET H 1.0 1.693 3.173 551 367 A 35 MET HA A 35 MET HB3 1.0 1.523 2.573 552 368 A 35 MET HGy A 36 ILE H 1.0 1.837 3.879 553 369 A 35 MET HA A 35 MET HGy 1.0 1.803 3.685 554 370 A 35 MET HGy A 36 ILE HA 1.0 1.918 4.458 555 371 A 35 MET HB3 A 35 MET HGy 1.0 1.468 2.406 556 372 A 35 MET HGx A 36 ILE H 1.0 1.839 3.891 557 373 A 35 MET HGx A 33 CYS H 1.0 1.937 4.643 558 374 A 35 MET HGx A 35 MET HA 1.0 1.817 3.767 559 375 A 10 GLU HA A 10 GLU HGx 1.0 1.888 4.218 560 376 A 36 ILE HG1x A 36 ILE HA 1.0 1.777 3.555 561 377 A 92 PRO HG3 A 36 ILE HA 1.0 1.601 2.829 562 378 A 36 ILE HA A 39 MET HGx 1.0 1.836 3.878 563 379 A 36 ILE HA A 39 MET H 1.0 1.862 4.034 564 380 A 36 ILE HA A 36 ILE H 1.0 1.726 3.314 565 381 A 36 ILE HB A 36 ILE HA 1.0 1.686 3.144 566 382 A 36 ILE HB A 39 MET HBx 1.0 1.825 3.811 567 383 A 40 ILE HB A 36 ILE HD1% 1.0 1.732 3.336 568 384 A 54 LYS HDx A 36 ILE HD1% 1.0 1.534 2.606 569 385 A 37 ALA HB% A 36 ILE HD1% 1.0 1.648 2.998 570 386 A 36 ILE HG1x A 36 ILE HD1% 1.0 1.600 2.824 571 387 A 36 ILE HG1y A 40 ILE H 1.0 1.842 3.910 572 388 A 36 ILE HG1y A 40 ILE HB 1.0 1.768 3.508 573 389 A 36 ILE HD1% A 37 ALA HA 1.0 1.734 3.346 574 390 A 40 ILE H A 37 ALA HA 1.0 1.852 3.972 575 391 A 37 ALA HB% A 37 ALA H 1.0 1.531 2.593 576 392 A 37 ALA HB% A 26 TYR HD1 1.0 1.912 4.414 577 392 A 37 ALA HB% A 26 TYR HD2 1.0 1.912 4.414 578 393 A 37 ALA HB% A 37 ALA HA 1.0 1.501 2.503 579 394 A 90 ALA HB% A 90 ALA HA 1.0 1.521 2.563 580 395 A 91 ASN H A 90 ALA HA 1.0 1.580 2.754 581 396 A 39 MET HA A 39 MET H 1.0 1.687 3.151 582 397 A 39 MET HA A 39 MET HBy 1.0 1.625 2.909 583 398 A 39 MET HBx A 39 MET HBy 1.0 1.495 2.483 584 399 A 65 GLN HGy A 61 GLY HAx 1.0 1.864 4.052 585 400 A 40 ILE HA A 40 ILE HB 1.0 1.817 3.765 586 401 A 40 ILE HA A 43 PHE HBx 1.0 1.778 3.558 587 402 A 40 ILE HA A 43 PHE HD1 1.0 1.744 3.392 588 402 A 40 ILE HA A 43 PHE HD2 1.0 1.744 3.392 589 403 A 40 ILE HA A 43 PHE H 1.0 1.811 3.733 590 404 A 17 GLN HGy A 18 ASP H 1.0 1.859 4.017 591 405 A 40 ILE HB A 41 GLU H 1.0 1.700 3.198 592 406 A 2 VAL HGx% A 40 ILE HB 1.0 1.853 3.979 593 407 A 54 LYS HDx A 40 ILE HD1% 1.0 1.701 3.207 594 408 A 92 PRO HA A 40 ILE HD1% 1.0 1.646 2.990 595 409 A 40 ILE H A 40 ILE HD1% 1.0 1.743 3.391 596 410 A 2 VAL HGx% A 40 ILE HG2% 1.0 1.576 2.740 597 411 A 54 LYS HDx A 40 ILE HG2% 1.0 1.647 2.993 598 412 A 40 ILE HB A 40 ILE HG2% 1.0 1.534 2.606 599 413 A 40 ILE HA A 40 ILE HG2% 1.0 1.622 2.902 600 414 A 40 ILE HG2% A 41 GLU H 1.0 1.744 3.394 601 415 A 40 ILE H A 40 ILE HG2% 1.0 1.804 3.690 602 416 A 2 VAL HGx% A 41 GLU HA 1.0 1.566 2.708 603 417 A 41 GLU HA A 41 GLU H 1.0 1.661 3.047 604 418 A 41 GLU HA A 44 SER H 1.0 1.833 3.853 605 419 A 42 LYS HA A 42 LYS H 1.0 1.608 2.852 606 420 A 44 SER H A 42 LYS HA 1.0 1.801 3.673 607 421 A 42 LYS HBx A 42 LYS HA 1.0 1.498 2.496 608 422 A 67 ASN HBy A 76 LEU HDx% 1.0 1.742 3.384 609 423 A 67 ASN HBy A 67 ASN HBx 1.0 1.514 2.544 610 424 A 67 ASN HBy A 67 ASN HA 1.0 1.670 3.082 611 425 A 67 ASN HBy A 67 ASN HD21 1.0 1.816 3.758 612 426 A 43 PHE HD1 A 43 PHE HBy 1.0 1.866 4.064 613 426 A 43 PHE HD2 A 43 PHE HBy 1.0 1.866 4.064 614 427 A 43 PHE HA A 43 PHE HBy 1.0 1.861 4.029 615 428 A 43 PHE HA A 43 PHE HBx 1.0 1.836 3.870 616 429 A 40 ILE HA A 43 PHE HBy 1.0 1.859 4.021 617 430 A 47 TYR H A 44 SER HA 1.0 1.756 3.448 618 431 A 44 SER HBy A 44 SER HA 1.0 1.665 3.061 619 432 A 45 GLU HA A 45 GLU H 1.0 1.674 3.096 620 433 A 37 ALA HA A 37 ALA H 1.0 1.647 2.995 621 434 A 45 GLU HBy A 45 GLU H 1.0 1.798 3.660 622 435 A 45 GLU HA A 45 GLU HBx 1.0 1.759 3.465 623 436 A 45 GLU HBx A 42 LYS HA 1.0 1.755 3.443 624 437 A 12 ASP H A 12 ASP HA 1.0 1.650 3.002 625 438 A 43 PHE HA A 46 GLN HB2 1.0 1.843 3.915 626 439 A 46 GLN HA A 46 GLN HG3 1.0 1.802 3.680 627 440 A 43 PHE HD1 A 46 GLN HG3 1.0 1.808 3.712 628 440 A 43 PHE HD2 A 46 GLN HG3 1.0 1.808 3.712 629 441 A 46 GLN HG2 A 43 PHE H 1.0 1.835 3.867 630 442 A 68 GLU H A 68 GLU HGx 1.0 1.830 3.838 631 443 A 46 GLN HG2 A 43 PHE HBy 1.0 1.815 3.755 632 444 A 47 TYR HA A 49 GLN H 1.0 1.855 3.985 633 445 A 47 TYR HA A 47 TYR H 1.0 1.755 3.445 634 446 A 47 TYR HA A 47 TYR HD1 1.0 1.719 3.283 635 446 A 47 TYR HA A 47 TYR HD2 1.0 1.719 3.283 636 447 A 50 ALA HB% A 47 TYR HA 1.0 1.853 3.981 637 448 A 49 GLN HA A 49 GLN H 1.0 1.624 2.908 638 449 A 49 GLN HA A 50 ALA H 1.0 1.723 3.301 639 450 A 49 GLN HA A 49 GLN HBy 1.0 1.451 2.359 640 451 A 50 ALA HA A 51 ASP H 1.0 1.536 2.610 641 452 A 50 ALA H A 50 ALA HA 1.0 1.745 3.399 642 453 A 20 LEU HBy A 50 ALA HA 1.0 1.770 3.516 643 454 A 50 ALA HB% A 50 ALA HA 1.0 1.508 2.524 644 455 A 50 ALA HB% A 50 ALA H 1.0 1.601 2.825 645 456 A 85 ALA HB% A 97 GLN HE22 1.0 1.632 2.936 646 457 A 84 VAL HGx% A 85 ALA HB% 1.0 1.621 2.895 647 458 A 50 ALA HB% A 22 VAL HGx% 1.0 1.728 3.324 648 459 A 50 ALA HB% A 99 ILE HD1% 1.0 1.817 3.759 649 460 A 51 ASP HA A 51 ASP HBy 1.0 1.640 2.966 650 461 A 47 TYR HD1 A 51 ASP HA 1.0 1.823 3.797 651 461 A 47 TYR HD2 A 51 ASP HA 1.0 1.823 3.797 652 462 A 51 ASP HA A 51 ASP H 1.0 1.727 3.317 653 463 A 52 PHE H A 51 ASP HA 1.0 1.494 2.484 654 464 A 53 TYR HE2 A 51 ASP HBx 1.0 1.807 3.707 655 464 A 53 TYR HE1 A 51 ASP HBx 1.0 1.807 3.707 656 465 A 51 ASP HA A 51 ASP HBx 1.0 1.801 3.677 657 466 A 21 VAL HGx% A 51 ASP HBy 1.0 1.780 3.566 658 467 A 51 ASP HBy A 51 ASP HBx 1.0 1.418 2.268 659 468 A 53 TYR HE2 A 51 ASP HBy 1.0 1.804 3.690 660 468 A 53 TYR HE1 A 51 ASP HBy 1.0 1.804 3.690 661 469 A 51 ASP HBy A 51 ASP H 1.0 1.789 3.615 662 470 A 53 TYR H A 52 PHE HA 1.0 1.516 2.550 663 471 A 52 PHE H A 52 PHE HA 1.0 1.681 3.125 664 472 A 47 TYR HD1 A 52 PHE HA 1.0 1.822 3.792 665 472 A 47 TYR HD2 A 52 PHE HA 1.0 1.822 3.792 666 473 A 52 PHE HA A 52 PHE HBx 1.0 1.856 3.998 667 474 A 52 PHE HBy A 52 PHE HA 1.0 1.724 3.302 668 475 A 22 VAL HGy% A 52 PHE HA 1.0 1.860 4.024 669 476 A 52 PHE HBy A 52 PHE HBx 1.0 1.633 2.939 670 477 A 47 TYR HD1 A 52 PHE HBx 1.0 1.839 3.889 671 477 A 47 TYR HD2 A 52 PHE HBx 1.0 1.839 3.889 672 478 A 53 TYR HA A 53 TYR HBx 1.0 1.654 3.018 673 479 A 2 VAL HA A 53 TYR HA 1.0 1.853 3.973 674 480 A 53 TYR HA A 53 TYR HD2 1.0 1.753 3.435 675 480 A 53 TYR HA A 53 TYR HD1 1.0 1.753 3.435 676 481 A 53 TYR HA A 3 THR H 1.0 1.645 2.983 677 482 A 53 TYR HA A 54 LYS H 1.0 1.574 2.732 678 483 A 53 TYR HA A 53 TYR H 1.0 1.824 3.800 679 484 A 23 VAL HGy% A 53 TYR HBx 1.0 1.868 4.072 680 485 A 75 LEU HA A 24 ALA HB% 1.0 1.638 2.958 681 486 A 54 LYS HA A 54 LYS HBy 1.0 1.654 3.020 682 487 A 75 LEU HA A 75 LEU HB3 1.0 1.591 2.791 683 488 A 54 LYS HA A 55 LEU H 1.0 1.567 2.713 684 489 A 75 LEU HA A 76 LEU H 1.0 1.507 2.521 685 490 A 79 LYS HBy A 79 LYS HA 1.0 1.800 3.670 686 491 A 79 LYS HBy A 79 LYS HGx 1.0 1.797 3.655 687 492 A 79 LYS HBy A 84 VAL HGy% 1.0 1.776 3.548 688 493 A 40 ILE HG2% A 54 LYS HE3 1.0 1.634 2.946 689 494 A 60 LEU HBy A 55 LEU HB3 1.0 1.718 3.280 690 495 A 60 LEU HG A 60 LEU HBy 1.0 1.671 3.083 691 496 A 2 VAL HB A 54 LYS HE3 1.0 1.819 3.775 692 497 A 55 LEU HD1% A 55 LEU HA 1.0 1.726 3.312 693 498 A 55 LEU HG A 55 LEU HA 1.0 1.728 3.320 694 499 A 55 LEU HA A 55 LEU HB2 1.0 1.694 3.174 695 500 A 55 LEU HA A 56 ASP H 1.0 1.562 2.696 696 501 A 55 LEU HD1% A 55 LEU HB2 1.0 1.456 2.372 697 502 A 55 LEU HD1% A 5 PHE HBx 1.0 1.821 3.781 698 503 A 5 PHE HBy A 55 LEU HD1% 1.0 1.728 3.320 699 504 A 55 LEU HD1% A 60 LEU HBy 1.0 1.807 3.709 700 505 A 55 LEU HD1% A 55 LEU HG 1.0 1.389 2.189 701 506 A 55 LEU HD1% A 55 LEU HD2% 1.0 1.507 2.523 702 507 A 55 LEU HD1% A 23 VAL HGy% 1.0 1.741 3.383 703 508 A 27 ALA HA A 56 ASP HA 1.0 1.759 3.465 704 509 A 101 ALA HA A 101 ALA H 1.0 1.611 2.863 705 510 A 101 ALA HA A 102 ASN H 1.0 1.793 3.633 706 511 A 56 ASP HBy A 56 ASP HBx 1.0 1.586 2.774 707 512 A 57 VAL HB A 57 VAL HA 1.0 1.550 2.656 708 513 A 57 VAL HGy% A 57 VAL HA 1.0 1.586 2.774 709 514 A 60 LEU HBx A 57 VAL HA 1.0 1.767 3.501 710 515 A 57 VAL H A 57 VAL HA 1.0 1.688 3.154 711 516 A 57 VAL HA A 60 LEU H 1.0 1.765 3.493 712 517 A 27 ALA HB% A 57 VAL HGx% 1.0 1.616 2.878 713 518 A 57 VAL HB A 57 VAL HGx% 1.0 1.531 2.595 714 519 A 57 VAL HGx% A 58 ASP HBx 1.0 1.750 3.424 715 520 A 57 VAL HGx% A 57 VAL HA 1.0 1.804 3.690 716 521 A 57 VAL HGx% A 29 TRP HZ2 1.0 1.669 3.073 717 522 A 57 VAL HB A 57 VAL HGy% 1.0 1.551 2.659 718 523 A 57 VAL HGy% A 25 PHE HBx 1.0 1.728 3.324 719 524 A 57 VAL HGy% A 61 GLY HAx 1.0 1.808 3.718 720 525 A 57 VAL HGy% A 25 PHE HD2 1.0 1.607 2.849 721 525 A 57 VAL HGy% A 25 PHE HD1 1.0 1.607 2.849 722 526 A 72 MET HA A 72 MET HBx 1.0 1.627 2.917 723 527 A 79 LYS HA A 79 LYS HGx 1.0 1.699 3.199 724 528 A 79 LYS HA A 80 ASN H 1.0 1.570 2.720 725 529 A 58 ASP HBx A 59 GLU H 1.0 1.836 3.868 726 530 A 59 GLU HA A 59 GLU H 1.0 1.677 3.109 727 531 A 59 GLU HA A 59 GLU HBy 1.0 1.735 3.355 728 532 A 60 LEU HBx A 60 LEU HA 1.0 1.593 2.801 729 533 A 60 LEU HA A 60 LEU H 1.0 1.762 3.476 730 534 A 61 GLY H A 60 LEU HA 1.0 1.659 3.037 731 535 A 60 LEU HBx A 60 LEU H 1.0 1.867 4.069 732 536 A 60 LEU HD1% A 60 LEU HBx 1.0 1.675 3.099 733 537 A 60 LEU HBx A 63 VAL HB 1.0 1.868 4.082 734 538 A 20 LEU HDy% A 21 VAL H 1.0 1.813 3.741 735 539 A 76 LEU HA A 77 LEU HG 1.0 1.794 3.636 736 540 A 60 LEU HG A 63 VAL HGx% 1.0 1.669 3.079 737 541 A 61 GLY HAx A 61 GLY HAy 1.0 1.479 2.439 738 542 A 61 GLY H A 61 GLY HAx 1.0 1.698 3.192 739 543 A 64 ALA HB% A 61 GLY HAx 1.0 1.846 3.932 740 544 A 64 ALA HB% A 61 GLY HAy 1.0 1.833 3.855 741 545 A 65 GLN HB3 A 62 ASP HA 1.0 1.573 2.731 742 546 A 62 ASP HA A 62 ASP HBx 1.0 1.509 2.525 743 547 A 63 VAL H A 62 ASP HA 1.0 1.786 3.598 744 548 A 62 ASP HA A 62 ASP H 1.0 1.803 3.687 745 549 A 91 ASN HBx A 91 ASN HBy 1.0 1.481 2.445 746 550 A 62 ASP HBx A 62 ASP H 1.0 1.868 4.078 747 551 A 63 VAL HA A 66 LYS H 1.0 1.840 3.896 748 552 A 67 ASN HD21 A 63 VAL HA 1.0 1.811 3.727 749 553 A 63 VAL H A 63 VAL HA 1.0 1.666 3.066 750 554 A 63 VAL HB A 63 VAL HA 1.0 1.628 2.922 751 555 A 63 VAL HA A 66 LYS HGx 1.0 1.731 3.333 752 556 A 63 VAL HGy% A 63 VAL HA 1.0 1.580 2.756 753 557 A 60 LEU HD1% A 63 VAL HB 1.0 1.647 2.991 754 558 A 63 VAL HGy% A 63 VAL HGx% 1.0 1.461 2.387 755 559 A 63 VAL HGy% A 63 VAL HB 1.0 1.557 2.675 756 560 A 63 VAL HGy% A 11 PHE HBx 1.0 1.825 3.809 757 561 A 63 VAL HGy% A 8 ALA HA 1.0 1.854 3.982 758 562 A 11 PHE HD1 A 63 VAL HGy% 1.0 1.802 3.680 759 562 A 11 PHE HD2 A 63 VAL HGy% 1.0 1.802 3.680 760 563 A 63 VAL HGy% A 64 ALA H 1.0 1.724 3.302 761 564 A 63 VAL HGy% A 67 ASN HD21 1.0 1.661 3.045 762 565 A 69 VAL HGy% A 64 ALA HA 1.0 1.727 3.315 763 566 A 69 VAL HGx% A 64 ALA HA 1.0 1.848 3.948 764 567 A 67 ASN HBx A 64 ALA HA 1.0 1.805 3.697 765 568 A 64 ALA HA A 64 ALA H 1.0 1.649 2.999 766 569 A 64 ALA HB% A 65 GLN H 1.0 1.607 2.847 767 570 A 64 ALA HB% A 64 ALA H 1.0 1.459 2.381 768 571 A 64 ALA HB% A 64 ALA HA 1.0 1.453 2.361 769 572 A 64 ALA HB% A 57 VAL HGy% 1.0 1.509 2.527 770 573 A 64 ALA HB% A 69 VAL HGx% 1.0 1.638 2.960 771 574 A 64 ALA HB% A 69 VAL HGy% 1.0 1.759 3.463 772 575 A 65 GLN HB3 A 65 GLN H 1.0 1.635 2.949 773 576 A 4 GLN HG3 A 3 THR HA 1.0 1.734 3.348 774 577 A 66 LYS HA A 66 LYS HBy 1.0 1.492 2.476 775 578 A 67 ASN H A 66 LYS HA 1.0 1.752 3.430 776 579 A 66 LYS HA A 66 LYS H 1.0 1.570 2.720 777 580 A 66 LYS HA A 66 LYS HBx 1.0 1.675 3.099 778 581 A 66 LYS HGx A 66 LYS HBx 1.0 1.671 3.081 779 582 A 66 LYS HBy A 66 LYS H 1.0 1.734 3.352 780 583 A 8 ALA HB% A 66 LYS HE3 1.0 1.715 3.267 781 584 A 66 LYS HGx A 66 LYS HA 1.0 1.740 3.378 782 585 A 20 LEU H A 19 LYS HEx 1.0 1.701 3.205 783 586 A 68 GLU HA A 68 GLU HBy 1.0 1.493 2.481 784 587 A 68 GLU HA A 68 GLU HBx 1.0 1.771 3.525 785 588 A 68 GLU H A 68 GLU HGy 1.0 1.847 3.945 786 589 A 69 VAL HA A 70 SER H 1.0 1.726 3.316 787 590 A 69 VAL H A 69 VAL HA 1.0 1.756 3.450 788 591 A 69 VAL HA A 69 VAL HB 1.0 1.795 3.641 789 592 A 74 THR HG2% A 69 VAL HA 1.0 1.844 3.922 790 593 A 69 VAL HGx% A 69 VAL HA 1.0 1.656 3.028 791 594 A 69 VAL HGy% A 69 VAL HA 1.0 1.616 2.876 792 595 A 64 ALA HA A 69 VAL HB 1.0 1.778 3.556 793 596 A 69 VAL HGy% A 69 VAL H 1.0 1.608 2.850 794 597 A 69 VAL HGy% A 25 PHE HD1 1.0 1.787 3.605 795 597 A 69 VAL HGy% A 25 PHE HD2 1.0 1.787 3.605 796 598 A 69 VAL HGy% A 67 ASN HBy 1.0 1.705 3.225 797 599 A 69 VAL HGy% A 67 ASN HBx 1.0 1.681 3.125 798 600 A 69 VAL HGy% A 69 VAL HB 1.0 1.513 2.541 799 601 A 74 THR HG2% A 69 VAL HGy% 1.0 1.510 2.530 800 602 A 69 VAL HGx% A 25 PHE HD2 1.0 1.789 3.613 801 602 A 69 VAL HGx% A 25 PHE HD1 1.0 1.789 3.613 802 603 A 69 VAL HGx% A 69 VAL HB 1.0 1.489 2.467 803 604 A 69 VAL HGy% A 69 VAL HGx% 1.0 1.458 2.378 804 605 A 69 VAL HGx% A 70 SER HA 1.0 1.815 3.751 805 606 A 70 SER HA A 70 SER HBx 1.0 1.556 2.674 806 607 A 70 SER HA A 70 SER HBy 1.0 1.554 2.670 807 608 A 70 SER HBx A 70 SER HBy 1.0 1.406 2.232 808 609 A 71 ALA HA A 72 MET H 1.0 1.585 2.769 809 610 A 72 MET H A 71 ALA HB% 1.0 1.740 3.376 810 611 A 71 ALA HA A 71 ALA HB% 1.0 1.512 2.538 811 612 A 71 ALA HB% A 89 GLY HAy 1.0 1.772 3.526 812 613 A 74 THR HG2% A 74 THR HA 1.0 1.618 2.886 813 614 A 74 THR HA A 74 THR HB 1.0 1.782 3.576 814 615 A 74 THR HA A 74 THR H 1.0 1.602 2.828 815 616 A 74 THR HA A 75 LEU H 1.0 1.552 2.662 816 617 A 69 VAL HGx% A 74 THR HB 1.0 1.690 3.162 817 618 A 25 PHE HBy A 74 THR HB 1.0 1.785 3.595 818 619 A 74 THR H A 74 THR HB 1.0 1.801 3.677 819 620 A 74 THR HG2% A 76 LEU HG 1.0 1.644 2.982 820 621 A 74 THR HG2% A 74 THR HB 1.0 1.612 2.866 821 622 A 74 THR HG2% A 75 LEU H 1.0 1.660 3.042 822 623 A 75 LEU HA A 24 ALA HA 1.0 1.638 2.958 823 624 A 75 LEU HB3 A 76 LEU H 1.0 1.796 3.646 824 625 A 75 LEU HB3 A 87 VAL HB 1.0 1.699 3.197 825 626 A 75 LEU HB3 A 75 LEU HDx% 1.0 1.616 2.878 826 627 A 75 LEU HB3 A 22 VAL HGy% 1.0 1.750 3.420 827 628 A 54 LYS HA A 54 LYS H 1.0 1.813 3.741 828 629 A 77 LEU HDy% A 76 LEU HA 1.0 1.809 3.719 829 630 A 76 LEU HA A 76 LEU HDy% 1.0 1.600 2.822 830 631 A 76 LEU HA A 76 LEU HB3 1.0 1.766 3.498 831 632 A 76 LEU HA A 77 LEU H 1.0 1.527 2.583 832 633 A 76 LEU HA A 76 LEU H 1.0 1.736 3.356 833 634 A 78 PHE HE1 A 76 LEU HB3 1.0 1.823 3.801 834 634 A 78 PHE HE2 A 76 LEU HB3 1.0 1.823 3.801 835 635 A 76 LEU HDy% A 87 VAL H 1.0 1.709 3.237 836 636 A 76 LEU HDy% A 86 LYS HEx 1.0 1.743 3.387 837 637 A 76 LEU HG A 76 LEU HDy% 1.0 1.418 2.266 838 638 A 86 LYS HA A 86 LYS HBx 1.0 1.806 3.704 839 639 A 75 LEU HDx% A 22 VAL HGy% 1.0 1.449 2.353 840 640 A 76 LEU HG A 76 LEU HDx% 1.0 1.487 2.463 841 641 A 75 LEU HA A 75 LEU HDx% 1.0 1.660 3.042 842 642 A 76 LEU HG A 76 LEU HB3 1.0 1.722 3.296 843 643 A 77 LEU HBx A 77 LEU H 1.0 1.849 3.953 844 644 A 77 LEU HDx% A 77 LEU HBx 1.0 1.764 3.486 845 645 A 77 LEU HDx% A 98 ALA HB% 1.0 1.540 2.622 846 646 A 77 LEU HDx% A 102 ASN HBy 1.0 1.787 3.603 847 647 A 77 LEU HDy% A 77 LEU H 1.0 1.742 3.386 848 648 A 77 LEU HDx% A 99 ILE H 1.0 1.795 3.643 849 649 A 77 LEU HDx% A 102 ASN HBx 1.0 1.703 3.211 850 650 A 77 LEU HDx% A 22 VAL HGx% 1.0 1.679 3.115 851 651 A 78 PHE HA A 78 PHE H 1.0 1.780 3.564 852 652 A 78 PHE HA A 84 VAL H 1.0 1.660 3.042 853 653 A 78 PHE HA A 79 LYS H 1.0 1.511 2.533 854 654 A 78 PHE HA A 85 ALA H 1.0 1.823 3.799 855 655 A 78 PHE HA A 78 PHE HD1 1.0 1.782 3.574 856 655 A 78 PHE HA A 78 PHE HD2 1.0 1.782 3.574 857 656 A 78 PHE HA A 84 VAL HGx% 1.0 1.778 3.554 858 657 A 78 PHE HBx A 78 PHE HD1 1.0 1.750 3.426 859 657 A 78 PHE HBx A 78 PHE HD2 1.0 1.750 3.426 860 658 A 78 PHE HBy A 78 PHE HD1 1.0 1.808 3.714 861 658 A 78 PHE HBy A 78 PHE HD2 1.0 1.808 3.714 862 659 A 78 PHE HBx A 78 PHE HA 1.0 1.818 3.768 863 660 A 78 PHE HBy A 78 PHE HA 1.0 1.849 3.951 864 661 A 78 PHE HBy A 21 VAL HB 1.0 1.866 4.066 865 662 A 15 ILE HB A 78 PHE HBx 1.0 1.817 3.765 866 663 A 78 PHE HBx A 21 VAL HB 1.0 1.796 3.650 867 664 A 78 PHE HBx A 79 LYS H 1.0 1.879 4.153 868 665 A 79 LYS HBx A 79 LYS HA 1.0 1.630 2.928 869 666 A 79 LYS HBx A 84 VAL HGx% 1.0 1.871 4.093 870 667 A 79 LYS HBx A 84 VAL HGy% 1.0 1.767 3.501 871 668 A 80 ASN HA A 80 ASN HBx 1.0 1.648 2.998 872 669 A 80 ASN HA A 80 ASN HBy 1.0 1.611 2.861 873 670 A 80 ASN HA A 81 GLY H 1.0 1.666 3.064 874 671 A 80 ASN HA A 80 ASN H 1.0 1.498 2.494 875 672 A 80 ASN HBx A 80 ASN HBy 1.0 1.456 2.370 876 673 A 81 GLY HAy A 81 GLY HAx 1.0 1.523 2.571 877 674 A 81 GLY H A 81 GLY HAx 1.0 1.752 3.434 878 675 A 86 LYS HA A 87 VAL H 1.0 1.500 2.502 879 676 A 86 LYS HBy A 86 LYS HA 1.0 1.581 2.757 880 677 A 86 LYS HA A 86 LYS HGy 1.0 1.627 2.919 881 678 A 86 LYS HA A 76 LEU HDy% 1.0 1.656 3.028 882 679 A 82 LYS HBx A 83 GLU H 1.0 1.807 3.705 883 680 A 82 LYS HBy A 82 LYS H 1.0 1.760 3.470 884 681 A 82 LYS HBy A 82 LYS HG3 1.0 1.680 3.120 885 682 A 46 GLN HG2 A 46 GLN HA 1.0 1.792 3.626 886 683 A 47 TYR H A 46 GLN HA 1.0 1.616 2.880 887 684 A 83 GLU HBx A 83 GLU H 1.0 1.830 3.838 888 685 A 84 VAL HA A 84 VAL HB 1.0 1.493 2.481 889 686 A 84 VAL HGy% A 84 VAL HB 1.0 1.557 2.679 890 687 A 77 LEU HBx A 84 VAL HB 1.0 1.850 3.958 891 688 A 84 VAL HGx% A 84 VAL H 1.0 1.571 2.725 892 689 A 84 VAL HGx% A 77 LEU H 1.0 1.806 3.702 893 690 A 84 VAL HGx% A 85 ALA H 1.0 1.690 3.162 894 691 A 84 VAL HGx% A 84 VAL HA 1.0 1.753 3.437 895 692 A 84 VAL HGx% A 84 VAL HB 1.0 1.512 2.538 896 693 A 77 LEU HBx A 84 VAL HGx% 1.0 1.525 2.575 897 694 A 84 VAL HGx% A 84 VAL HGy% 1.0 1.457 2.373 898 695 A 87 VAL HGx% A 89 GLY H 1.0 1.688 3.152 899 696 A 20 LEU HDy% A 84 VAL HGy% 1.0 1.511 2.535 900 697 A 85 ALA H A 85 ALA HA 1.0 1.691 3.165 901 698 A 86 LYS H A 85 ALA HA 1.0 1.441 2.331 902 699 A 86 LYS H A 85 ALA HB% 1.0 1.557 2.679 903 700 A 85 ALA HB% A 85 ALA HA 1.0 1.454 2.366 904 701 A 77 LEU HDx% A 85 ALA HB% 1.0 1.472 2.418 905 702 A 86 LYS HA A 85 ALA HB% 1.0 1.773 3.533 906 703 A 86 LYS HBy A 86 LYS H 1.0 1.832 3.848 907 704 A 86 LYS HGx A 86 LYS HBx 1.0 1.622 2.898 908 705 A 86 LYS HA A 86 LYS HGx 1.0 1.807 3.709 909 706 A 87 VAL HA A 88 VAL H 1.0 1.539 2.621 910 707 A 87 VAL HB A 87 VAL HA 1.0 1.709 3.239 911 708 A 87 VAL HA A 87 VAL HGx% 1.0 1.593 2.797 912 709 A 87 VAL HB A 87 VAL HGy% 1.0 1.618 2.884 913 710 A 87 VAL HGx% A 88 VAL H 1.0 1.671 3.085 914 711 A 87 VAL HGy% A 87 VAL H 1.0 1.659 3.037 915 712 A 88 VAL HGx% A 87 VAL HA 1.0 1.587 2.775 916 713 A 88 VAL HB A 88 VAL HA 1.0 1.821 3.789 917 714 A 88 VAL HB A 88 VAL H 1.0 1.742 3.386 918 715 A 20 LEU HDx% A 77 LEU HA 1.0 1.784 3.590 919 716 A 89 GLY H A 88 VAL HGy% 1.0 1.813 3.739 920 717 A 74 THR HA A 88 VAL HGy% 1.0 1.760 3.468 921 718 A 88 VAL HB A 88 VAL HGy% 1.0 1.484 2.454 922 719 A 88 VAL HGy% A 86 LYS HEx 1.0 1.741 3.383 923 720 A 89 GLY H A 89 GLY HAx 1.0 1.855 3.985 924 721 A 89 GLY HAy A 89 GLY HAx 1.0 1.557 2.679 925 722 A 91 ASN H A 91 ASN HA 1.0 1.774 3.536 926 723 A 91 ASN HA A 92 PRO HDy 1.0 1.572 2.728 927 724 A 91 ASN HA A 92 PRO HDx 1.0 1.578 2.748 928 725 A 91 ASN HBy A 91 ASN HA 1.0 1.752 3.430 929 726 A 91 ASN HBx A 91 ASN HA 1.0 1.686 3.144 930 727 A 91 ASN H A 91 ASN HBy 1.0 1.828 3.824 931 728 A 1 MET HA A 2 VAL H 1.0 1.602 2.830 932 729 A 95 ILE H A 94 ALA HB% 1.0 1.655 3.023 933 730 A 94 ALA H A 94 ALA HB% 1.0 1.545 2.639 934 731 A 94 ALA HA A 94 ALA HB% 1.0 1.461 2.387 935 732 A 94 ALA HB% A 91 ASN HBy 1.0 1.679 3.115 936 733 A 94 ALA HB% A 91 ASN HBx 1.0 1.724 3.304 937 734 A 97 GLN HBy A 94 ALA HB% 1.0 1.696 3.184 938 735 A 87 VAL HGx% A 94 ALA HB% 1.0 1.535 2.607 939 736 A 95 ILE HA A 95 ILE HD1% 1.0 1.503 2.507 940 737 A 95 ILE HB A 95 ILE HA 1.0 1.644 2.982 941 738 A 95 ILE HA A 98 ALA H 1.0 1.832 3.848 942 739 A 95 ILE H A 95 ILE HA 1.0 1.703 3.213 943 740 A 95 ILE HB A 96 LYS H 1.0 1.766 3.498 944 741 A 92 PRO HA A 95 ILE HB 1.0 1.782 3.576 945 742 A 95 ILE H A 95 ILE HG2% 1.0 1.763 3.483 946 743 A 95 ILE HA A 95 ILE HG2% 1.0 1.687 3.151 947 744 A 95 ILE HB A 95 ILE HG2% 1.0 1.545 2.641 948 745 A 99 ILE HG2% A 95 ILE HG2% 1.0 1.547 2.647 949 746 A 96 LYS HA A 95 ILE HG2% 1.0 1.812 3.738 950 747 A 95 ILE HG13 A 99 ILE HG13 1.0 1.484 2.452 951 748 A 96 LYS HA A 99 ILE HB 1.0 1.590 2.788 952 749 A 96 LYS HA A 43 PHE HD1 1.0 1.838 3.884 953 749 A 96 LYS HA A 43 PHE HD2 1.0 1.838 3.884 954 750 A 96 LYS HA A 96 LYS H 1.0 1.668 3.076 955 751 A 97 GLN HBx A 97 GLN HA 1.0 1.504 2.514 956 752 A 10 GLU HA A 10 GLU H 1.0 1.609 2.851 957 753 A 99 ILE H A 98 ALA HA 1.0 1.696 3.182 958 754 A 98 ALA HA A 102 ASN H 1.0 1.768 3.510 959 755 A 103 ALA HA A 20 LEU HBy 1.0 1.767 3.505 960 756 A 98 ALA HB% A 95 ILE HA 1.0 1.712 3.254 961 757 A 98 ALA HA A 98 ALA HB% 1.0 1.485 2.453 962 758 A 98 ALA HB% A 102 ASN HD21 1.0 1.824 3.806 963 759 A 98 ALA HB% A 98 ALA H 1.0 1.502 2.508 964 760 A 99 ILE H A 98 ALA HB% 1.0 1.629 2.923 965 761 A 98 ALA HB% A 77 LEU H 1.0 1.782 3.578 966 762 A 99 ILE HA A 100 ALA H 1.0 1.850 3.954 967 763 A 99 ILE H A 99 ILE HA 1.0 1.722 3.296 968 764 A 77 LEU HDx% A 99 ILE HA 1.0 1.554 2.666 969 765 A 99 ILE HB A 99 ILE HD1% 1.0 1.662 3.052 970 766 A 99 ILE HB A 96 LYS HDy 1.0 1.782 3.576 971 767 A 99 ILE HB A 100 ALA H 1.0 1.734 3.346 972 768 A 99 ILE HD1% A 99 ILE HG2% 1.0 1.444 2.336 973 769 A 103 ALA HB% A 99 ILE HD1% 1.0 1.464 2.396 974 770 A 99 ILE HA A 99 ILE HD1% 1.0 1.591 2.791 975 771 A 99 ILE HD1% A 47 TYR HE1 1.0 1.803 3.683 976 771 A 99 ILE HD1% A 47 TYR HE2 1.0 1.803 3.683 977 772 A 99 ILE HD1% A 99 ILE HG13 1.0 1.858 4.006 978 773 A 99 ILE HB A 99 ILE HG13 1.0 1.857 4.007 979 774 A 99 ILE HB A 99 ILE HG2% 1.0 1.593 2.799 980 775 A 99 ILE HG2% A 96 LYS HDy 1.0 1.549 2.651 981 776 A 96 LYS HA A 99 ILE HG2% 1.0 1.668 3.070 982 777 A 60 LEU HD1% A 8 ALA HA 1.0 1.584 2.766 983 778 A 100 ALA HB% A 100 ALA H 1.0 1.494 2.482 984 779 A 100 ALA HB% A 101 ALA H 1.0 1.604 2.838 985 780 A 101 ALA HB% A 101 ALA HA 1.0 1.437 2.319 986 781 A 101 ALA HB% A 101 ALA H 1.0 1.482 2.446 987 782 A 102 ASN HBx A 102 ASN HA 1.0 1.867 4.071 988 783 A 102 ASN HD21 A 102 ASN HBx 1.0 1.767 3.503 989 784 A 102 ASN HBy A 102 ASN HA 1.0 1.742 3.386 990 785 A 102 ASN HBy A 102 ASN HBx 1.0 1.528 2.584 991 786 A 84 VAL HGx% A 102 ASN HBy 1.0 1.786 3.600 992 787 A 103 ALA HB% A 103 ALA HA 1.0 1.522 2.566 993 788 A 103 ALA HB% A 103 ALA H 1.0 1.533 2.601 994 789 A 68 GLU HBy A 68 GLU HBx 1.0 1.422 2.276 995 790 A 26 TYR HD1 A 26 TYR HBy 1.0 1.827 3.817 996 790 A 26 TYR HD2 A 26 TYR HBy 1.0 1.827 3.817 997 791 A 43 PHE HBx A 43 PHE H 1.0 1.857 4.005 998 792 A 26 TYR HBx A 26 TYR HA 1.0 1.621 2.895 999 793 A 27 ALA H A 26 TYR HA 1.0 1.641 2.971 1000 794 A 26 TYR HD1 A 26 TYR HA 1.0 1.708 3.236 1001 794 A 26 TYR HD2 A 26 TYR HA 1.0 1.708 3.236 1002 795 A 26 TYR H A 26 TYR HA 1.0 1.770 3.518 1003 796 A 26 TYR HBy A 26 TYR HA 1.0 1.835 3.863 1004 797 A 5 PHE HBy A 5 PHE HA 1.0 1.803 3.687 1005 798 A 11 PHE HA A 5 PHE HZ 1.0 1.855 3.993 1006 799 A 43 PHE HA A 46 GLN HG3 1.0 1.728 3.324 1007 800 A 43 PHE HA A 43 PHE HD1 1.0 1.657 3.031 1008 800 A 43 PHE HA A 43 PHE HD2 1.0 1.657 3.031 1009 801 A 43 PHE HA A 46 GLN H 1.0 1.850 3.960 1010 802 A 43 PHE HA A 43 PHE H 1.0 1.788 3.606 1011 803 A 92 PRO HDy A 92 PRO HDx 1.0 1.485 2.455 1012 804 A 92 PRO HG3 A 92 PRO HDy 1.0 1.795 3.641 1013 805 A 92 PRO HG3 A 92 PRO HDx 1.0 1.760 3.466 1014 806 A 36 ILE HG2% A 36 ILE HA 1.0 1.672 3.090 1015 807 A 92 PRO HG3 A 36 ILE HG2% 1.0 1.587 2.779 1016 808 A 55 LEU HD1% A 55 LEU HB3 1.0 1.767 3.505 1017 809 A 67 ASN HBx A 67 ASN HA 1.0 1.888 4.222 1018 810 A 22 VAL HB A 22 VAL HGx% 1.0 1.435 2.313 1019 811 A 22 VAL HA A 22 VAL HGx% 1.0 1.644 2.984 1020 812 A 49 GLN HA A 49 GLN HBx 1.0 1.781 3.571 1021 813 A 60 LEU HG A 55 LEU HB2 1.0 1.733 3.345 1022 814 A 55 LEU HB2 A 25 PHE HD2 1.0 1.860 4.022 1023 814 A 55 LEU HB2 A 25 PHE HD1 1.0 1.860 4.022 1024 815 A 40 ILE H A 40 ILE HB 1.0 1.682 3.130 1025 816 A 63 VAL HGy% A 67 ASN HD22 1.0 1.704 3.220 1026 817 A 20 LEU HBy A 20 LEU HBx 1.0 1.642 2.976 1027 818 A 89 GLY H A 74 THR HA 1.0 1.789 3.613 1028 819 A 53 TYR HA A 53 TYR HBy 1.0 1.901 4.323 1029 820 A 69 VAL HGy% A 74 THR HB 1.0 1.893 4.259 1030 821 A 79 LYS HBy A 82 LYS H 1.0 1.879 4.153 1031 822 A 79 LYS HBy A 83 GLU H 1.0 1.874 4.122 1032 823 A 79 LYS HBy A 83 GLU HA 1.0 1.870 4.092 1033 824 A 79 LYS HBy A 84 VAL HGx% 1.0 1.893 4.253 1034 825 A 26 TYR HBy A 54 LYS HBx 1.0 1.870 4.090 1035 826 A 87 VAL HGy% A 95 ILE HA 1.0 1.628 2.920 1036 827 A 54 LYS HDx A 40 ILE HB 1.0 1.718 3.280 1037 828 A 36 ILE HB A 36 ILE HG1x 1.0 1.701 3.207 1038 829 A 32 PRO HA A 33 CYS H 1.0 1.877 4.139 1039 830 A 32 PRO HA A 90 ALA HB% 1.0 1.810 3.726 1040 831 A 37 ALA HB% A 26 TYR HE1 1.0 1.843 3.913 1041 831 A 37 ALA HB% A 26 TYR HE2 1.0 1.843 3.913 1042 832 A 31 GLY HAy A 31 GLY HAx 1.0 1.525 2.575 1043 833 A 34 LYS HB2 A 31 GLY HAx 1.0 1.909 4.379 1044 834 A 32 PRO HD2 A 72 MET HE% 1.0 1.789 3.613 1045 835 A 30 CYS HBy A 32 PRO HD2 1.0 1.799 3.667 1046 836 A 32 PRO HD2 A 31 GLY HAy 1.0 1.858 4.012 1047 837 A 32 PRO HG3 A 32 PRO HD2 1.0 1.892 4.248 1048 838 A 32 PRO HD3 A 33 CYS H 1.0 1.909 4.389 1049 839 A 32 PRO HD3 A 31 GLY HAy 1.0 1.844 3.922 1050 840 A 32 PRO HD3 A 30 CYS HBy 1.0 1.783 3.583 1051 841 A 32 PRO HD3 A 72 MET HE% 1.0 1.782 3.578 1052 842 A 30 CYS HA A 30 CYS HBx 1.0 1.838 3.884 1053 843 A 30 CYS HBy A 30 CYS HBx 1.0 1.437 2.317 1054 844 A 2 VAL HGx% A 2 VAL H 1.0 1.867 4.069 1055 845 A 2 VAL HB A 2 VAL H 1.0 1.828 3.830 1056 846 A 2 VAL H A 1 MET HGx 1.0 1.975 5.133 1057 847 A 53 TYR HBx A 3 THR H 1.0 1.974 5.126 1058 848 A 3 THR H A 54 LYS H 1.0 1.945 4.729 1059 849 A 4 GLN H A 3 THR H 1.0 1.980 5.228 1060 850 A 53 TYR HD1 A 3 THR H 1.0 1.973 5.085 1061 850 A 53 TYR HD2 A 3 THR H 1.0 1.973 5.085 1062 851 A 4 GLN H A 4 GLN HA 1.0 1.673 3.093 1063 852 A 4 GLN H A 3 THR HA 1.0 1.598 2.814 1064 853 A 4 GLN H A 3 THR HB 1.0 1.962 4.944 1065 854 A 4 GLN HB3 A 4 GLN H 1.0 1.745 3.397 1066 855 A 5 PHE H A 5 PHE HD1 1.0 1.887 4.215 1067 855 A 5 PHE H A 5 PHE HD2 1.0 1.887 4.215 1068 856 A 5 PHE H A 4 GLN HA 1.0 1.583 2.763 1069 857 A 5 PHE HBy A 5 PHE H 1.0 1.849 3.955 1070 858 A 5 PHE H A 5 PHE HBx 1.0 1.707 3.229 1071 859 A 55 LEU HB2 A 56 ASP H 1.0 1.881 4.167 1072 860 A 5 PHE H A 3 THR HG2% 1.0 1.884 4.190 1073 861 A 55 LEU HD1% A 5 PHE H 1.0 1.915 4.435 1074 862 A 5 PHE H A 55 LEU HA 1.0 1.919 4.473 1075 863 A 55 LEU HD1% A 6 LYS H 1.0 1.948 4.766 1076 864 A 6 LYS H A 7 THR HG2% 1.0 1.956 4.858 1077 865 A 6 LYS HGx A 6 LYS H 1.0 1.833 3.859 1078 866 A 6 LYS H A 5 PHE HBx 1.0 1.929 4.567 1079 867 A 5 PHE HBy A 6 LYS H 1.0 1.884 4.188 1080 868 A 6 LYS H A 5 PHE HA 1.0 1.598 2.818 1081 869 A 6 LYS H A 5 PHE HD1 1.0 1.888 4.214 1082 869 A 6 LYS H A 5 PHE HD2 1.0 1.888 4.214 1083 870 A 6 LYS H A 7 THR H 1.0 1.578 2.746 1084 871 A 7 THR H A 5 PHE HD1 1.0 1.933 4.597 1085 871 A 7 THR H A 5 PHE HD2 1.0 1.933 4.597 1086 872 A 7 THR H A 7 THR HA 1.0 1.690 3.162 1087 873 A 5 PHE HBy A 7 THR H 1.0 1.853 3.975 1088 874 A 7 THR H A 7 THR HG2% 1.0 1.784 3.590 1089 875 A 60 LEU HD1% A 7 THR H 1.0 1.858 4.012 1090 876 A 6 LYS HGx A 7 THR H 1.0 1.952 4.818 1091 877 A 7 THR H A 8 ALA H 1.0 1.957 4.867 1092 878 A 7 THR HA A 8 ALA H 1.0 1.527 2.581 1093 879 A 9 SER H A 8 ALA H 1.0 1.938 4.656 1094 880 A 10 GLU H A 9 SER H 1.0 1.893 4.259 1095 881 A 9 SER H A 8 ALA HB% 1.0 1.899 4.305 1096 882 A 10 GLU H A 10 GLU HGx 1.0 1.690 3.160 1097 883 A 10 GLU H A 7 THR HG2% 1.0 1.923 4.513 1098 884 A 10 GLU H A 11 PHE H 1.0 1.687 3.149 1099 885 A 8 ALA HA A 11 PHE H 1.0 1.835 3.871 1100 886 A 11 PHE HA A 11 PHE H 1.0 1.612 2.866 1101 887 A 11 PHE HBy A 11 PHE H 1.0 1.704 3.220 1102 888 A 5 PHE HD1 A 11 PHE H 1.0 1.931 4.579 1103 888 A 5 PHE HD2 A 11 PHE H 1.0 1.931 4.579 1104 889 A 40 ILE HA A 40 ILE H 1.0 1.846 3.930 1105 890 A 36 ILE HG1x A 40 ILE H 1.0 1.739 3.371 1106 891 A 40 ILE H A 36 ILE HD1% 1.0 1.896 4.280 1107 892 A 13 SER H A 11 PHE H 1.0 1.929 4.569 1108 893 A 13 SER HBx A 13 SER H 1.0 1.579 2.751 1109 894 A 12 ASP HBy A 13 SER H 1.0 1.671 3.081 1110 895 A 14 ALA HB% A 13 SER H 1.0 1.920 4.484 1111 896 A 14 ALA H A 16 ALA H 1.0 1.862 4.038 1112 897 A 14 ALA HA A 14 ALA H 1.0 1.682 3.130 1113 898 A 13 SER HBx A 14 ALA H 1.0 1.706 3.230 1114 899 A 11 PHE HA A 14 ALA H 1.0 1.919 4.477 1115 900 A 15 ILE H A 14 ALA H 1.0 1.711 3.247 1116 901 A 15 ILE H A 16 ALA H 1.0 1.684 3.138 1117 902 A 15 ILE H A 14 ALA HA 1.0 1.857 4.009 1118 903 A 11 PHE HA A 15 ILE H 1.0 1.957 4.869 1119 904 A 14 ALA HB% A 15 ILE H 1.0 1.673 3.093 1120 905 A 15 ILE HG1x A 15 ILE H 1.0 1.627 2.919 1121 906 A 15 ILE HD1% A 15 ILE H 1.0 1.872 4.100 1122 907 A 15 ILE H A 15 ILE HG2% 1.0 1.642 2.972 1123 908 A 15 ILE HG2% A 16 ALA H 1.0 1.934 4.610 1124 909 A 15 ILE HG1x A 16 ALA H 1.0 1.754 3.440 1125 910 A 15 ILE HA A 16 ALA H 1.0 1.855 3.991 1126 911 A 17 GLN H A 17 GLN HGx 1.0 1.658 3.036 1127 912 A 17 GLN HBy A 17 GLN H 1.0 1.665 3.063 1128 913 A 15 ILE HA A 17 GLN H 1.0 1.919 4.469 1129 914 A 17 GLN H A 16 ALA H 1.0 1.710 3.240 1130 915 A 17 GLN H A 80 ASN H 1.0 1.958 4.878 1131 916 A 18 ASP H A 80 ASN H 1.0 1.974 5.114 1132 917 A 19 LYS H A 18 ASP H 1.0 1.947 4.751 1133 918 A 55 LEU H A 26 TYR HD1 1.0 1.901 4.319 1134 918 A 55 LEU H A 26 TYR HD2 1.0 1.901 4.319 1135 919 A 25 PHE HA A 55 LEU H 1.0 1.897 4.289 1136 920 A 18 ASP H A 18 ASP HBy 1.0 1.772 3.528 1137 921 A 18 ASP H A 18 ASP HBx 1.0 1.809 3.715 1138 922 A 17 GLN HBx A 18 ASP H 1.0 1.901 4.317 1139 923 A 55 LEU HG A 55 LEU H 1.0 1.830 3.838 1140 924 A 55 LEU H A 55 LEU HB3 1.0 1.721 3.289 1141 925 A 57 VAL H A 57 VAL HGy% 1.0 1.723 3.297 1142 926 A 55 LEU HD1% A 55 LEU H 1.0 1.839 3.889 1143 927 A 19 LYS H A 80 ASN H 1.0 1.770 3.518 1144 928 A 19 LYS H A 18 ASP HBy 1.0 1.859 4.021 1145 929 A 19 LYS H A 18 ASP HBx 1.0 1.930 4.576 1146 930 A 20 LEU H A 21 VAL H 1.0 1.947 4.755 1147 931 A 20 LEU H A 20 LEU HA 1.0 1.919 4.473 1148 932 A 19 LYS HB3 A 20 LEU H 1.0 1.563 2.697 1149 933 A 19 LYS HGy A 20 LEU H 1.0 1.631 2.931 1150 934 A 20 LEU HDx% A 20 LEU H 1.0 1.927 4.541 1151 935 A 103 ALA HA A 20 LEU H 1.0 1.988 5.404 1152 936 A 84 VAL HGx% A 21 VAL H 1.0 1.964 4.970 1153 937 A 20 LEU HDx% A 21 VAL H 1.0 1.718 3.276 1154 938 A 79 LYS HBx A 21 VAL H 1.0 1.927 4.543 1155 939 A 21 VAL HB A 21 VAL H 1.0 1.746 3.402 1156 940 A 78 PHE HBx A 21 VAL H 1.0 1.896 4.276 1157 941 A 22 VAL H A 21 VAL H 1.0 1.970 5.046 1158 942 A 54 LYS HA A 24 ALA H 1.0 1.742 3.386 1159 943 A 77 LEU HA A 23 VAL H 1.0 1.903 4.339 1160 944 A 23 VAL HB A 23 VAL H 1.0 1.751 3.429 1161 945 A 76 LEU HB3 A 23 VAL H 1.0 1.963 4.951 1162 946 A 22 VAL HB A 23 VAL H 1.0 1.916 4.446 1163 947 A 22 VAL HGy% A 23 VAL H 1.0 1.739 3.371 1164 948 A 22 VAL HGx% A 23 VAL H 1.0 1.949 4.773 1165 949 A 25 PHE HD1 A 25 PHE H 1.0 1.779 3.561 1166 949 A 25 PHE HD2 A 25 PHE H 1.0 1.779 3.561 1167 950 A 25 PHE HBy A 25 PHE H 1.0 1.805 3.695 1168 951 A 75 LEU HDx% A 76 LEU H 1.0 1.803 3.683 1169 952 A 76 LEU HG A 76 LEU H 1.0 1.749 3.417 1170 953 A 76 LEU HB3 A 76 LEU H 1.0 1.781 3.571 1171 954 A 23 VAL HB A 76 LEU H 1.0 1.924 4.518 1172 955 A 77 LEU HDy% A 76 LEU H 1.0 1.908 4.370 1173 956 A 26 TYR H A 26 TYR HD1 1.0 1.836 3.870 1174 956 A 26 TYR H A 26 TYR HD2 1.0 1.836 3.870 1175 957 A 25 PHE HBx A 26 TYR H 1.0 1.863 4.041 1176 958 A 57 VAL HGy% A 26 TYR H 1.0 1.864 4.050 1177 959 A 26 TYR H A 56 ASP HA 1.0 1.949 4.771 1178 960 A 27 ALA H A 26 TYR HD1 1.0 1.851 3.965 1179 960 A 27 ALA H A 26 TYR HD2 1.0 1.851 3.965 1180 961 A 27 ALA H A 28 THR HA 1.0 1.947 4.749 1181 962 A 27 ALA H A 26 TYR HBx 1.0 1.718 3.280 1182 963 A 28 THR H A 28 THR HG2% 1.0 1.910 4.394 1183 964 A 29 TRP H A 28 THR HG2% 1.0 1.972 5.080 1184 965 A 29 TRP H A 29 TRP HBx 1.0 1.925 4.519 1185 966 A 29 TRP H A 28 THR HB 1.0 1.978 5.182 1186 967 A 29 TRP HD1 A 29 TRP H 1.0 1.870 4.088 1187 968 A 33 CYS H A 33 CYS HA 1.0 1.859 4.017 1188 969 A 32 PRO HD2 A 33 CYS H 1.0 1.757 3.455 1189 970 A 33 CYS H A 33 CYS HB3 1.0 1.890 4.232 1190 971 A 32 PRO HG3 A 33 CYS H 1.0 1.884 4.194 1191 972 A 35 MET HB3 A 36 ILE H 1.0 1.774 3.540 1192 973 A 36 ILE HD1% A 36 ILE H 1.0 1.770 3.514 1193 974 A 36 ILE HD1% A 37 ALA H 1.0 1.834 3.858 1194 975 A 36 ILE HA A 37 ALA H 1.0 1.898 4.292 1195 976 A 36 ILE HG1x A 39 MET H 1.0 1.946 4.736 1196 977 A 39 MET HBx A 39 MET H 1.0 1.735 3.353 1197 978 A 39 MET HGx A 39 MET H 1.0 1.800 3.668 1198 979 A 38 PRO HD3 A 39 MET H 1.0 1.885 4.201 1199 980 A 40 ILE H A 39 MET H 1.0 1.683 3.131 1200 981 A 41 GLU HBx A 41 GLU H 1.0 1.532 2.600 1201 982 A 40 ILE H A 41 GLU H 1.0 1.712 3.252 1202 983 A 2 VAL HGx% A 41 GLU H 1.0 1.964 4.974 1203 984 A 37 ALA HB% A 41 GLU H 1.0 1.981 5.233 1204 985 A 42 LYS H A 43 PHE H 1.0 1.758 3.460 1205 986 A 43 PHE HD1 A 43 PHE H 1.0 1.911 4.399 1206 986 A 43 PHE HD2 A 43 PHE H 1.0 1.911 4.399 1207 987 A 39 MET HA A 43 PHE H 1.0 1.900 4.312 1208 988 A 43 PHE HBy A 43 PHE H 1.0 1.781 3.567 1209 989 A 41 GLU HBx A 43 PHE H 1.0 1.962 4.944 1210 990 A 42 LYS HBy A 43 PHE H 1.0 1.749 3.419 1211 991 A 2 VAL HGx% A 44 SER H 1.0 1.943 4.703 1212 992 A 43 PHE HBx A 44 SER H 1.0 1.754 3.444 1213 993 A 44 SER H A 44 SER HA 1.0 1.732 3.338 1214 994 A 44 SER H A 44 SER HBx 1.0 1.732 3.340 1215 995 A 43 PHE HA A 44 SER H 1.0 1.793 3.633 1216 996 A 44 SER H A 45 GLU H 1.0 1.776 3.546 1217 997 A 44 SER H A 43 PHE H 1.0 1.772 3.528 1218 998 A 46 GLN HG2 A 45 GLU H 1.0 1.755 3.443 1219 999 A 44 SER HA A 45 GLU H 1.0 1.920 4.480 1220 1000 A 43 PHE HA A 45 GLU H 1.0 1.840 3.900 1221 1001 A 45 GLU H A 46 GLN H 1.0 1.646 2.988 1222 1002 A 47 TYR H A 44 SER H 1.0 1.946 4.736 1223 1003 A 47 TYR HD1 A 47 TYR H 1.0 1.755 3.443 1224 1003 A 47 TYR HD2 A 47 TYR H 1.0 1.755 3.443 1225 1004 A 47 TYR H A 45 GLU H 1.0 1.894 4.264 1226 1005 A 43 PHE HA A 47 TYR H 1.0 1.950 4.786 1227 1006 A 46 GLN HG2 A 47 TYR H 1.0 1.977 5.149 1228 1007 A 50 ALA HB% A 49 GLN H 1.0 1.929 4.561 1229 1008 A 49 GLN HBx A 49 GLN H 1.0 1.679 3.117 1230 1009 A 49 GLN HGy A 49 GLN H 1.0 1.899 4.307 1231 1010 A 49 GLN H A 50 ALA H 1.0 1.695 3.183 1232 1011 A 50 ALA H A 51 ASP H 1.0 1.895 4.271 1233 1012 A 22 VAL H A 51 ASP H 1.0 1.886 4.206 1234 1013 A 51 ASP HBx A 51 ASP H 1.0 1.729 3.327 1235 1014 A 50 ALA HB% A 51 ASP H 1.0 1.681 3.123 1236 1015 A 20 LEU HBy A 51 ASP H 1.0 1.989 5.419 1237 1016 A 52 PHE H A 53 TYR H 1.0 1.968 5.018 1238 1017 A 47 TYR HD1 A 52 PHE H 1.0 1.776 3.548 1239 1017 A 47 TYR HD2 A 52 PHE H 1.0 1.776 3.548 1240 1018 A 52 PHE H A 52 PHE HBx 1.0 1.774 3.536 1241 1019 A 52 PHE H A 52 PHE HBy 1.0 1.830 3.836 1242 1020 A 21 VAL HGx% A 53 TYR H 1.0 1.907 4.367 1243 1021 A 2 VAL HGy% A 53 TYR H 1.0 1.879 4.151 1244 1022 A 53 TYR H A 52 PHE HBy 1.0 1.894 4.260 1245 1023 A 53 TYR HBy A 53 TYR H 1.0 1.778 3.556 1246 1024 A 53 TYR H A 53 TYR HD2 1.0 1.847 3.935 1247 1024 A 53 TYR H A 53 TYR HD1 1.0 1.847 3.935 1248 1025 A 55 LEU H A 54 LYS H 1.0 1.953 4.815 1249 1026 A 53 TYR H A 54 LYS H 1.0 1.979 5.193 1250 1027 A 53 TYR HD2 A 54 LYS H 1.0 1.927 4.545 1251 1027 A 53 TYR HD1 A 54 LYS H 1.0 1.927 4.545 1252 1028 A 4 GLN HA A 54 LYS H 1.0 1.807 3.711 1253 1029 A 53 TYR HBx A 54 LYS H 1.0 1.743 3.389 1254 1030 A 2 VAL HB A 54 LYS H 1.0 1.942 4.700 1255 1031 A 3 THR HG2% A 54 LYS H 1.0 1.818 3.768 1256 1032 A 24 ALA H A 55 LEU H 1.0 1.841 3.901 1257 1033 A 5 PHE H A 55 LEU H 1.0 1.964 4.968 1258 1034 A 55 LEU H A 55 LEU HA 1.0 1.895 4.271 1259 1035 A 57 VAL H A 57 VAL HGx% 1.0 1.655 3.023 1260 1036 A 55 LEU HD1% A 56 ASP H 1.0 1.869 4.081 1261 1037 A 56 ASP H A 56 ASP HBy 1.0 1.764 3.484 1262 1038 A 56 ASP H A 56 ASP HBx 1.0 1.770 3.518 1263 1039 A 56 ASP H A 56 ASP HA 1.0 1.893 4.253 1264 1040 A 56 ASP H A 59 GLU H 1.0 1.968 5.014 1265 1041 A 57 VAL H A 56 ASP HBx 1.0 1.961 4.915 1266 1042 A 57 VAL H A 56 ASP HA 1.0 1.611 2.859 1267 1043 A 58 ASP H A 59 GLU H 1.0 1.610 2.856 1268 1044 A 58 ASP H A 56 ASP HBx 1.0 1.629 2.923 1269 1045 A 58 ASP H A 57 VAL HA 1.0 1.923 4.505 1270 1046 A 72 MET H A 72 MET HE% 1.0 1.766 3.496 1271 1047 A 72 MET H A 72 MET HBy 1.0 1.845 3.925 1272 1048 A 58 ASP H A 57 VAL HGx% 1.0 1.818 3.770 1273 1049 A 56 ASP HBx A 59 GLU H 1.0 1.785 3.593 1274 1050 A 59 GLU HBy A 59 GLU H 1.0 1.636 2.954 1275 1051 A 57 VAL HA A 59 GLU H 1.0 1.947 4.755 1276 1052 A 58 ASP H A 60 LEU H 1.0 1.927 4.547 1277 1053 A 59 GLU HA A 60 LEU H 1.0 1.928 4.548 1278 1054 A 56 ASP HBx A 60 LEU H 1.0 1.988 5.390 1279 1055 A 59 GLU HBy A 60 LEU H 1.0 1.741 3.383 1280 1056 A 60 LEU HD1% A 60 LEU H 1.0 1.846 3.930 1281 1057 A 61 GLY H A 60 LEU H 1.0 1.824 3.804 1282 1058 A 61 GLY H A 62 ASP HA 1.0 1.972 5.088 1283 1059 A 61 GLY H A 61 GLY HAy 1.0 1.629 2.925 1284 1060 A 60 LEU HBx A 61 GLY H 1.0 1.917 4.453 1285 1061 A 63 VAL HGx% A 61 GLY H 1.0 1.961 4.929 1286 1062 A 61 GLY H A 62 ASP H 1.0 1.876 4.132 1287 1063 A 63 VAL H A 62 ASP H 1.0 1.799 3.663 1288 1064 A 61 GLY HAy A 62 ASP H 1.0 1.921 4.491 1289 1065 A 62 ASP HBy A 62 ASP H 1.0 1.830 3.840 1290 1066 A 60 LEU HD1% A 62 ASP H 1.0 1.981 5.243 1291 1067 A 61 GLY H A 63 VAL H 1.0 1.910 4.390 1292 1068 A 63 VAL H A 64 ALA HA 1.0 1.980 5.210 1293 1069 A 63 VAL H A 62 ASP HBy 1.0 1.906 4.360 1294 1070 A 63 VAL HB A 63 VAL H 1.0 1.641 2.971 1295 1071 A 63 VAL HGx% A 63 VAL H 1.0 1.604 2.836 1296 1072 A 63 VAL HGy% A 63 VAL H 1.0 1.872 4.108 1297 1073 A 63 VAL HA A 64 ALA H 1.0 1.919 4.465 1298 1074 A 65 GLN H A 66 LYS H 1.0 1.656 3.026 1299 1075 A 64 ALA H A 65 GLN H 1.0 1.659 3.037 1300 1076 A 46 GLN HA A 46 GLN H 1.0 1.684 3.138 1301 1077 A 64 ALA HA A 65 GLN H 1.0 1.862 4.038 1302 1078 A 65 GLN HGx A 65 GLN H 1.0 1.791 3.621 1303 1079 A 66 LYS HBx A 65 GLN H 1.0 1.916 4.444 1304 1080 A 68 GLU H A 66 LYS H 1.0 1.836 3.872 1305 1081 A 86 LYS H A 85 ALA H 1.0 1.932 4.590 1306 1082 A 67 ASN H A 66 LYS H 1.0 1.683 3.133 1307 1083 A 64 ALA HA A 66 LYS H 1.0 1.933 4.601 1308 1084 A 65 GLN HB3 A 66 LYS H 1.0 1.642 2.972 1309 1085 A 66 LYS HBx A 66 LYS H 1.0 1.567 2.711 1310 1086 A 66 LYS HGx A 66 LYS H 1.0 1.723 3.301 1311 1087 A 67 ASN H A 65 GLN H 1.0 1.946 4.734 1312 1088 A 67 ASN H A 25 PHE HE2 1.0 1.944 4.716 1313 1088 A 67 ASN H A 25 PHE HE1 1.0 1.944 4.716 1314 1089 A 67 ASN H A 67 ASN HA 1.0 1.775 3.541 1315 1090 A 67 ASN H A 64 ALA HA 1.0 1.852 3.972 1316 1091 A 67 ASN H A 63 VAL HA 1.0 1.981 5.251 1317 1092 A 67 ASN H A 67 ASN HBy 1.0 1.786 3.594 1318 1093 A 67 ASN H A 67 ASN HBx 1.0 1.645 2.987 1319 1094 A 67 ASN H A 66 LYS HBx 1.0 1.777 3.549 1320 1095 A 67 ASN H A 66 LYS HGx 1.0 1.885 4.195 1321 1096 A 67 ASN H A 68 GLU H 1.0 1.638 2.960 1322 1097 A 68 GLU H A 67 ASN HA 1.0 1.787 3.601 1323 1098 A 65 GLN HA A 68 GLU H 1.0 1.784 3.586 1324 1099 A 68 GLU H A 67 ASN HBy 1.0 1.942 4.698 1325 1100 A 69 VAL HGx% A 69 VAL H 1.0 1.875 4.125 1326 1101 A 74 THR HG2% A 69 VAL H 1.0 1.983 5.281 1327 1102 A 69 VAL H A 69 VAL HB 1.0 1.627 2.917 1328 1103 A 69 VAL H A 67 ASN HBx 1.0 1.845 3.931 1329 1104 A 68 GLU HA A 69 VAL H 1.0 1.674 3.096 1330 1105 A 67 ASN H A 69 VAL H 1.0 1.931 4.581 1331 1106 A 69 VAL HGx% A 70 SER H 1.0 1.968 5.026 1332 1107 A 71 ALA HB% A 71 ALA H 1.0 1.766 3.496 1333 1108 A 58 ASP H A 27 ALA HB% 1.0 1.971 5.061 1334 1109 A 25 PHE HBy A 74 THR H 1.0 1.887 4.211 1335 1110 A 74 THR H A 25 PHE H 1.0 1.913 4.423 1336 1111 A 87 VAL H A 75 LEU H 1.0 1.863 4.041 1337 1112 A 88 VAL HA A 75 LEU H 1.0 1.949 4.771 1338 1113 A 75 LEU HA A 75 LEU H 1.0 1.921 4.487 1339 1114 A 87 VAL HB A 75 LEU H 1.0 1.922 4.498 1340 1115 A 75 LEU HB3 A 75 LEU H 1.0 1.738 3.366 1341 1116 A 76 LEU H A 23 VAL H 1.0 1.795 3.641 1342 1117 A 76 LEU HB3 A 77 LEU H 1.0 1.922 4.498 1343 1118 A 77 LEU HG A 77 LEU H 1.0 1.796 3.648 1344 1119 A 85 ALA HA A 77 LEU H 1.0 1.981 5.233 1345 1120 A 78 PHE H A 21 VAL H 1.0 1.813 3.737 1346 1121 A 78 PHE HD2 A 78 PHE H 1.0 1.805 3.699 1347 1121 A 78 PHE HD1 A 78 PHE H 1.0 1.805 3.699 1348 1122 A 22 VAL HA A 78 PHE H 1.0 1.921 4.487 1349 1123 A 78 PHE HBx A 78 PHE H 1.0 1.723 3.301 1350 1124 A 21 VAL HB A 78 PHE H 1.0 1.873 4.107 1351 1125 A 77 LEU HBx A 78 PHE H 1.0 1.817 3.765 1352 1126 A 20 LEU HDx% A 78 PHE H 1.0 1.821 3.787 1353 1127 A 84 VAL HGx% A 78 PHE H 1.0 1.892 4.244 1354 1128 A 79 LYS H A 78 PHE H 1.0 1.975 5.119 1355 1129 A 84 VAL H A 79 LYS H 1.0 1.893 4.259 1356 1130 A 78 PHE HD1 A 79 LYS H 1.0 1.937 4.641 1357 1130 A 78 PHE HD2 A 79 LYS H 1.0 1.937 4.641 1358 1131 A 83 GLU HA A 79 LYS H 1.0 1.942 4.704 1359 1132 A 79 LYS HA A 79 LYS H 1.0 1.795 3.643 1360 1133 A 78 PHE HBy A 79 LYS H 1.0 1.764 3.490 1361 1134 A 79 LYS HBy A 79 LYS H 1.0 1.751 3.427 1362 1135 A 79 LYS HGx A 79 LYS H 1.0 1.957 4.867 1363 1136 A 16 ALA HA A 80 ASN H 1.0 1.978 5.176 1364 1137 A 80 ASN H A 80 ASN HBy 1.0 1.924 4.518 1365 1138 A 80 ASN H A 80 ASN HBx 1.0 1.885 4.191 1366 1139 A 79 LYS HBx A 80 ASN H 1.0 1.883 4.185 1367 1140 A 79 LYS HGx A 80 ASN H 1.0 1.911 4.401 1368 1141 A 16 ALA HB% A 81 GLY H 1.0 1.962 4.938 1369 1142 A 15 ILE HB A 81 GLY H 1.0 1.980 5.222 1370 1143 A 81 GLY HAy A 81 GLY H 1.0 1.631 2.933 1371 1144 A 16 ALA HA A 81 GLY H 1.0 1.642 2.974 1372 1145 A 17 GLN H A 81 GLY H 1.0 1.987 5.349 1373 1146 A 81 GLY H A 82 LYS H 1.0 1.754 3.442 1374 1147 A 80 ASN H A 81 GLY H 1.0 1.721 3.291 1375 1148 A 82 LYS H A 79 LYS H 1.0 1.650 3.002 1376 1149 A 78 PHE HD1 A 82 LYS H 1.0 1.944 4.712 1377 1149 A 78 PHE HD2 A 82 LYS H 1.0 1.944 4.712 1378 1150 A 78 PHE HA A 82 LYS H 1.0 1.972 5.076 1379 1151 A 81 GLY HAx A 82 LYS H 1.0 1.843 3.913 1380 1152 A 81 GLY HAy A 82 LYS H 1.0 1.861 4.033 1381 1153 A 78 PHE HBy A 82 LYS H 1.0 1.927 4.543 1382 1154 A 82 LYS HBx A 82 LYS H 1.0 1.611 2.863 1383 1155 A 82 LYS H A 82 LYS HG3 1.0 1.780 3.566 1384 1156 A 78 PHE HA A 83 GLU H 1.0 1.984 5.312 1385 1157 A 83 GLU H A 78 PHE HD1 1.0 1.920 4.480 1386 1157 A 83 GLU H A 78 PHE HD2 1.0 1.920 4.480 1387 1158 A 78 PHE HE1 A 83 GLU H 1.0 1.964 4.950 1388 1158 A 78 PHE HE2 A 83 GLU H 1.0 1.964 4.950 1389 1159 A 83 GLU H A 82 LYS H 1.0 1.971 5.067 1390 1160 A 84 VAL H A 83 GLU H 1.0 1.916 4.442 1391 1161 A 83 GLU HA A 84 VAL H 1.0 1.636 2.952 1392 1162 A 84 VAL H A 84 VAL HA 1.0 1.843 3.917 1393 1163 A 84 VAL H A 84 VAL HB 1.0 1.946 4.744 1394 1164 A 84 VAL H A 84 VAL HGy% 1.0 1.842 3.908 1395 1165 A 84 VAL H A 78 PHE H 1.0 1.987 5.361 1396 1166 A 85 ALA H A 84 VAL HGy% 1.0 1.892 4.252 1397 1167 A 85 ALA HB% A 85 ALA H 1.0 1.650 3.006 1398 1168 A 85 ALA H A 77 LEU H 1.0 1.786 3.598 1399 1169 A 84 VAL H A 85 ALA H 1.0 1.554 2.668 1400 1170 A 86 LYS HA A 86 LYS H 1.0 1.760 3.468 1401 1171 A 86 LYS H A 86 LYS HBx 1.0 1.643 2.979 1402 1172 A 87 VAL HB A 87 VAL H 1.0 1.750 3.424 1403 1173 A 85 ALA HB% A 87 VAL H 1.0 1.936 4.632 1404 1174 A 86 LYS HGy A 87 VAL H 1.0 1.736 3.356 1405 1175 A 87 VAL HA A 87 VAL H 1.0 1.839 3.889 1406 1176 A 86 LYS H A 87 VAL H 1.0 1.972 5.084 1407 1177 A 88 VAL HA A 88 VAL H 1.0 1.874 4.122 1408 1178 A 91 ASN HBx A 88 VAL H 1.0 1.975 5.127 1409 1179 A 89 GLY H A 71 ALA HB% 1.0 1.974 5.124 1410 1180 A 88 VAL HB A 89 GLY H 1.0 1.948 4.756 1411 1181 A 89 GLY H A 89 GLY HAy 1.0 1.739 3.373 1412 1182 A 89 GLY H A 75 LEU H 1.0 1.987 5.377 1413 1183 A 91 ASN H A 91 ASN HBx 1.0 1.752 3.428 1414 1184 A 95 ILE H A 94 ALA H 1.0 1.650 3.002 1415 1185 A 94 ALA H A 91 ASN HBy 1.0 1.912 4.410 1416 1186 A 95 ILE H A 95 ILE HB 1.0 1.601 2.825 1417 1187 A 95 ILE H A 96 LYS H 1.0 1.733 3.347 1418 1188 A 96 LYS H A 95 ILE HG2% 1.0 1.800 3.670 1419 1189 A 96 LYS H A 96 LYS HGx 1.0 1.888 4.218 1420 1190 A 96 LYS H A 96 LYS HBx 1.0 1.557 2.677 1421 1191 A 96 LYS H A 95 ILE HA 1.0 1.918 4.456 1422 1192 A 96 LYS H A 94 ALA H 1.0 1.869 4.085 1423 1193 A 97 GLN H A 96 LYS H 1.0 1.699 3.197 1424 1194 A 97 GLN H A 98 ALA H 1.0 1.675 3.099 1425 1195 A 94 ALA HA A 97 GLN H 1.0 1.799 3.665 1426 1196 A 97 GLN H A 97 GLN HA 1.0 1.687 3.149 1427 1197 A 97 GLN H A 96 LYS HA 1.0 1.901 4.323 1428 1198 A 97 GLN HBx A 97 GLN H 1.0 1.551 2.659 1429 1199 A 97 GLN H A 96 LYS HBx 1.0 1.639 2.963 1430 1200 A 97 GLN H A 95 ILE HG2% 1.0 1.941 4.679 1431 1201 A 96 LYS H A 98 ALA H 1.0 1.916 4.446 1432 1202 A 39 MET HA A 42 LYS H 1.0 1.698 3.196 1433 1203 A 99 ILE HA A 98 ALA H 1.0 1.982 5.258 1434 1204 A 41 GLU HBx A 42 LYS H 1.0 1.692 3.166 1435 1205 A 99 ILE H A 99 ILE HD1% 1.0 1.881 4.165 1436 1206 A 99 ILE H A 99 ILE HG2% 1.0 1.740 3.376 1437 1207 A 99 ILE H A 99 ILE HB 1.0 1.587 2.777 1438 1208 A 12 ASP H A 12 ASP HBy 1.0 1.648 2.996 1439 1209 A 9 SER HA A 12 ASP H 1.0 1.860 4.028 1440 1210 A 99 ILE H A 100 ALA H 1.0 1.713 3.257 1441 1211 A 100 ALA H A 100 ALA HA 1.0 1.722 3.296 1442 1212 A 100 ALA H A 96 LYS HDy 1.0 1.921 4.481 1443 1213 A 100 ALA H A 99 ILE HG2% 1.0 1.913 4.423 1444 1214 A 99 ILE HD1% A 100 ALA H 1.0 1.832 3.844 1445 1215 A 100 ALA H A 101 ALA H 1.0 1.732 3.338 1446 1216 A 101 ALA H A 102 ASN H 1.0 1.701 3.207 1447 1217 A 100 ALA HA A 101 ALA H 1.0 1.902 4.328 1448 1218 A 101 ALA HB% A 102 ASN H 1.0 1.756 3.450 1449 1219 A 102 ASN HBx A 102 ASN H 1.0 1.715 3.267 1450 1220 A 102 ASN HBy A 102 ASN H 1.0 1.829 3.829 1451 1221 A 99 ILE HA A 102 ASN H 1.0 1.931 4.579 1452 1222 A 100 ALA HA A 102 ASN H 1.0 1.960 4.908 1453 1223 A 102 ASN HA A 102 ASN H 1.0 1.804 3.688 1454 1224 A 100 ALA H A 102 ASN H 1.0 1.802 3.684 1455 1225 A 103 ALA H A 102 ASN H 1.0 1.538 2.618 1456 1226 A 103 ALA H A 102 ASN HA 1.0 1.852 3.968 1457 1227 A 103 ALA HA A 103 ALA H 1.0 1.707 3.233 1458 1228 A 103 ALA H A 99 ILE HA 1.0 1.963 4.945 1459 1229 A 103 ALA H A 102 ASN HBy 1.0 1.935 4.623 1460 1230 A 103 ALA H A 102 ASN HBx 1.0 1.881 4.165 1461 1231 A 84 VAL HGx% A 103 ALA H 1.0 1.820 3.778 1462 1232 A 103 ALA H A 99 ILE HD1% 1.0 1.979 5.203 1463 1233 A 28 THR H A 29 TRP H 1.0 1.913 4.419 1464 1234 A 23 VAL H A 78 PHE H 1.0 1.980 5.208 1465 1235 A 33 CYS H A 34 LYS HB2 1.0 1.986 5.352 1466 1236 A 47 TYR HD1 A 49 GLN H 1.0 1.989 5.413 1467 1236 A 47 TYR HD2 A 49 GLN H 1.0 1.989 5.413 1468 1237 A 7 THR H A 11 PHE H 1.0 1.991 5.453 1469 1238 A 67 ASN H A 67 ASN HD22 1.0 1.866 4.062 1470 1239 A 67 ASN HD22 A 11 PHE HE2 1.0 1.792 3.626 1471 1239 A 67 ASN HD22 A 11 PHE HE1 1.0 1.792 3.626 1472 1240 A 4 GLN HG2 A 4 GLN HE21 1.0 1.917 4.453 1473 1241 A 4 GLN HG2 A 4 GLN HE22 1.0 1.951 4.803 1474 1242 A 6 LYS HBy A 4 GLN HE22 1.0 1.895 4.277 1475 1243 A 6 LYS HBy A 4 GLN HE21 1.0 1.848 3.946 1476 1244 A 4 GLN HE21 A 4 GLN HE22 1.0 1.402 2.224 1477 1245 A 66 LYS HGx A 67 ASN HD22 1.0 1.978 5.182 1478 1246 A 66 LYS HBx A 67 ASN HD22 1.0 1.961 4.923 1479 1247 A 67 ASN HBx A 67 ASN HD22 1.0 1.883 4.183 1480 1248 A 67 ASN HBy A 67 ASN HD22 1.0 1.970 5.046 1481 1249 A 67 ASN HD21 A 67 ASN HD22 1.0 1.500 2.500 1482 1250 A 67 ASN H A 67 ASN HD21 1.0 1.784 3.588 1483 1251 A 67 ASN HBx A 67 ASN HD21 1.0 1.792 3.626 1484 1252 A 67 ASN HD21 A 66 LYS HBx 1.0 1.908 4.376 1485 1253 A 67 ASN HD21 A 66 LYS HGx 1.0 1.952 4.810 1486 1254 A 80 ASN HD22 A 80 ASN HD21 1.0 1.284 1.930 1487 1255 A 80 ASN HBy A 80 ASN HD22 1.0 1.935 4.621 1488 1256 A 80 ASN HBy A 80 ASN HD21 1.0 1.847 3.943 1489 1257 A 80 ASN HBx A 80 ASN HD21 1.0 1.816 3.754 1490 1258 A 80 ASN HBx A 80 ASN HD22 1.0 1.898 4.294 1491 1259 A 79 LYS HBx A 80 ASN HD22 1.0 1.929 4.561 1492 1260 A 79 LYS HBy A 80 ASN HD21 1.0 1.954 4.830 1493 1261 A 82 LYS HG3 A 80 ASN HD22 1.0 1.984 5.308 1494 1262 A 97 GLN HE22 A 97 GLN HE21 1.0 1.379 2.163 1495 1263 A 49 GLN HE21 A 20 LEU HBy 1.0 1.883 4.185 1496 1264 A 49 GLN HBx A 49 GLN HE21 1.0 1.859 4.013 1497 1265 A 49 GLN HGy A 49 GLN HE21 1.0 1.759 3.465 1498 1266 A 49 GLN HE21 A 49 GLN HE22 1.0 1.440 2.328 1499 1267 A 49 GLN HE22 A 20 LEU HBy 1.0 1.939 4.669 1500 1268 A 98 ALA HB% A 91 ASN HD21 1.0 1.883 4.179 1501 1269 A 91 ASN HBx A 91 ASN HD21 1.0 1.827 3.825 1502 1270 A 91 ASN HD21 A 91 ASN HD22 1.0 1.401 2.219 1503 1271 A 91 ASN HBy A 91 ASN HD21 1.0 1.971 5.073 1504 1272 A 91 ASN HBx A 91 ASN HD22 1.0 1.698 3.194 1505 1273 A 98 ALA HB% A 91 ASN HD22 1.0 1.863 4.041 1506 1274 A 101 ALA HB% A 102 ASN HD22 1.0 1.781 3.569 1507 1275 A 102 ASN HD22 A 102 ASN HBx 1.0 1.772 3.526 1508 1276 A 102 ASN HBy A 102 ASN HD22 1.0 1.877 4.137 1509 1277 A 102 ASN HD21 A 102 ASN HD22 1.0 1.465 2.397 1510 1278 A 98 ALA HA A 102 ASN HD21 1.0 1.924 4.512 1511 1279 A 102 ASN HD21 A 102 ASN HBy 1.0 1.932 4.602 1512 1280 A 102 ASN HD21 A 85 ALA HB% 1.0 1.745 3.399 1513 1281 A 102 ASN HD21 A 20 LEU HDy% 1.0 1.887 4.213 1514 1282 A 46 GLN HG2 A 46 GLN HE22 1.0 1.829 3.829 1515 1283 A 46 GLN HE22 A 46 GLN HE21 1.0 1.453 2.361 1516 1284 A 5 PHE HA A 5 PHE HD1 1.0 1.688 3.154 1517 1284 A 5 PHE HA A 5 PHE HD2 1.0 1.688 3.154 1518 1285 A 47 TYR HBy A 47 TYR HD1 1.0 1.624 2.908 1519 1285 A 47 TYR HBy A 47 TYR HD2 1.0 1.624 2.908 1520 1286 A 53 TYR HBx A 53 TYR HD2 1.0 1.645 2.985 1521 1286 A 53 TYR HBx A 53 TYR HD1 1.0 1.645 2.985 1522 1287 A 26 TYR HD1 A 26 TYR HBx 1.0 1.695 3.181 1523 1287 A 26 TYR HD2 A 26 TYR HBx 1.0 1.695 3.181 1524 1288 A 5 PHE HBy A 5 PHE HD1 1.0 1.711 3.247 1525 1288 A 5 PHE HBy A 5 PHE HD2 1.0 1.711 3.247 1526 1289 A 5 PHE HE1 A 5 PHE HD1 1.0 1.596 2.806 1527 1289 A 5 PHE HE2 A 5 PHE HD1 1.0 1.596 2.806 1528 1289 A 5 PHE HE1 A 5 PHE HD2 1.0 1.596 2.806 1529 1289 A 5 PHE HE2 A 5 PHE HD2 1.0 1.596 2.806 1530 1290 A 5 PHE HE1 A 11 PHE HBy 1.0 1.742 3.386 1531 1290 A 5 PHE HE2 A 11 PHE HBy 1.0 1.742 3.386 1532 1291 A 11 PHE HD2 A 11 PHE HBx 1.0 1.640 2.964 1533 1291 A 11 PHE HD1 A 11 PHE HBx 1.0 1.640 2.964 1534 1292 A 25 PHE HBy A 25 PHE HD2 1.0 1.702 3.210 1535 1292 A 25 PHE HBy A 25 PHE HD1 1.0 1.702 3.210 1536 1293 A 43 PHE HD1 A 43 PHE HBx 1.0 1.774 3.534 1537 1293 A 43 PHE HD2 A 43 PHE HBx 1.0 1.774 3.534 1538 1294 A 44 SER HBx A 52 PHE HE1 1.0 1.660 3.042 1539 1294 A 44 SER HBx A 52 PHE HE2 1.0 1.660 3.042 1540 1295 A 25 PHE HBx A 25 PHE HD2 1.0 1.730 3.332 1541 1295 A 25 PHE HBx A 25 PHE HD1 1.0 1.730 3.332 1542 1296 A 52 PHE HE2 A 52 PHE HD1 1.0 1.674 3.096 1543 1296 A 52 PHE HE1 A 52 PHE HD1 1.0 1.674 3.096 1544 1296 A 52 PHE HE1 A 52 PHE HD2 1.0 1.674 3.096 1545 1296 A 52 PHE HE2 A 52 PHE HD2 1.0 1.674 3.096 1546 1297 A 5 PHE HE1 A 5 PHE HZ 1.0 1.639 2.963 1547 1297 A 5 PHE HE2 A 5 PHE HZ 1.0 1.639 2.963 1548 1298 A 24 ALA HB% A 26 TYR HE1 1.0 1.625 2.909 1549 1298 A 24 ALA HB% A 26 TYR HE2 1.0 1.625 2.909 1550 1299 A 26 TYR HD2 A 26 TYR HE1 1.0 1.543 2.635 1551 1299 A 26 TYR HD1 A 26 TYR HE1 1.0 1.543 2.635 1552 1299 A 26 TYR HD1 A 26 TYR HE2 1.0 1.543 2.635 1553 1299 A 26 TYR HD2 A 26 TYR HE2 1.0 1.543 2.635 1554 1300 A 47 TYR HD1 A 47 TYR HE1 1.0 1.494 2.482 1555 1300 A 47 TYR HD1 A 47 TYR HE2 1.0 1.494 2.482 1556 1300 A 47 TYR HD2 A 47 TYR HE1 1.0 1.494 2.482 1557 1300 A 47 TYR HD2 A 47 TYR HE2 1.0 1.494 2.482 1558 1301 A 53 TYR HBy A 53 TYR HD2 1.0 1.702 3.208 1559 1301 A 53 TYR HBy A 53 TYR HD1 1.0 1.702 3.208 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 11 PHE H A 7 THR O 1.0 1.8 2.3 2 2 A 7 THR O A 11 PHE N 1.0 2.8 3.3 3 3 A 14 ALA H A 10 GLU O 1.0 1.8 2.3 4 4 A 10 GLU O A 14 ALA N 1.0 2.8 3.3 5 5 A 16 ALA H A 12 ASP O 1.0 1.8 2.3 6 6 A 12 ASP O A 16 ALA N 1.0 2.8 3.3 7 7 A 35 MET H A 31 GLY O 1.0 1.8 2.3 8 8 A 31 GLY O A 35 MET N 1.0 2.8 3.3 9 9 A 36 ILE H A 32 PRO O 1.0 1.8 2.3 10 10 A 32 PRO O A 36 ILE N 1.0 2.8 3.3 11 11 A 37 ALA H A 33 CYS O 1.0 1.8 2.3 12 12 A 33 CYS O A 37 ALA N 1.0 2.8 3.3 13 13 A 34 LYS O A 38 PRO N 1.0 2.8 3.3 14 14 A 39 MET H A 35 MET O 1.0 1.8 2.3 15 15 A 35 MET O A 39 MET N 1.0 2.8 3.3 16 16 A 41 GLU H A 37 ALA O 1.0 1.8 2.3 17 17 A 37 ALA O A 41 GLU N 1.0 2.8 3.3 18 18 A 42 LYS H A 38 PRO O 1.0 1.8 2.3 19 19 A 38 PRO O A 42 LYS N 1.0 2.8 3.3 20 20 A 43 PHE H A 39 MET O 1.0 1.8 2.3 21 21 A 39 MET O A 43 PHE N 1.0 2.8 3.3 22 22 A 45 GLU H A 41 GLU O 1.0 1.8 2.3 23 23 A 41 GLU O A 45 GLU N 1.0 2.8 3.3 24 24 A 46 GLN H A 42 LYS O 1.0 1.8 2.3 25 25 A 42 LYS O A 46 GLN N 1.0 2.8 3.3 26 26 A 60 LEU H A 56 ASP O 1.0 1.8 2.3 27 27 A 56 ASP O A 60 LEU N 1.0 2.8 3.3 28 28 A 64 ALA H A 60 LEU O 1.0 1.8 2.3 29 29 A 60 LEU O A 64 ALA N 1.0 2.8 3.3 30 30 A 65 GLN H A 61 GLY O 1.0 1.8 2.3 31 31 A 61 GLY O A 65 GLN N 1.0 2.8 3.3 32 32 A 66 LYS H A 62 ASP O 1.0 1.8 2.3 33 33 A 62 ASP O A 66 LYS N 1.0 2.8 3.3 34 34 A 98 ALA H A 94 ALA O 1.0 1.8 2.3 35 35 A 94 ALA O A 98 ALA N 1.0 2.8 3.3 36 36 A 101 ALA H A 97 GLN O 1.0 1.8 2.3 37 37 A 97 GLN O A 101 ALA N 1.0 2.8 3.3 38 38 A 102 ASN H A 98 ALA O 1.0 1.8 2.3 39 39 A 98 ALA O A 102 ASN N 1.0 2.8 3.3 40 40 A 3 THR N A 52 PHE O 1.0 2.4 3.7 41 41 A 52 PHE O A 3 THR H 1.0 1.4 2.7 42 42 A 75 LEU N A 87 VAL O 1.0 2.4 3.7 43 43 A 87 VAL O A 75 LEU H 1.0 1.4 2.7 44 44 A 77 LEU N A 85 ALA O 1.0 2.4 3.7 45 45 A 85 ALA O A 77 LEU H 1.0 1.4 2.7 46 46 A 79 LYS N A 83 GLU O 1.0 2.4 3.7 47 47 A 83 GLU O A 79 LYS H 1.0 1.4 2.7 48 48 A 25 PHE N A 74 THR O 1.0 2.4 3.7 49 49 A 74 THR O A 25 PHE H 1.0 1.4 2.7 50 50 A 76 LEU N A 23 VAL O 1.0 2.4 3.7 51 51 A 23 VAL O A 76 LEU H 1.0 1.4 2.7 52 52 A 23 VAL N A 76 LEU O 1.0 2.4 3.7 53 53 A 76 LEU O A 23 VAL H 1.0 1.4 2.7 54 54 A 78 PHE N A 21 VAL O 1.0 2.4 3.7 55 55 A 21 VAL O A 78 PHE H 1.0 1.4 2.7 56 56 A 21 VAL N A 78 PHE O 1.0 2.4 3.7 57 57 A 78 PHE O A 21 VAL H 1.0 1.4 2.7 58 58 A 51 ASP N A 20 LEU O 1.0 2.4 3.7 59 59 A 20 LEU O A 51 ASP H 1.0 1.4 2.7 60 60 A 54 LYS N A 3 THR O 1.0 2.4 3.7 61 61 A 3 THR O A 54 LYS H 1.0 1.4 2.7 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 VAL N A 2 VAL CA A 2 VAL C 1.0 -120.83 -80.83 PHI 2 2 A 2 VAL N A 2 VAL CA A 2 VAL C A 3 THR N 1.0 108.55 148.55 PSI 3 3 A 2 VAL C A 3 THR N A 3 THR CA A 3 THR C 1.0 -117.01 -46.17 PHI 4 4 A 3 THR N A 3 THR CA A 3 THR C A 4 GLN N 1.0 107.38 147.38 PSI 5 5 A 3 THR C A 4 GLN N A 4 GLN CA A 4 GLN C 1.0 -125.36 -66.18 PHI 6 6 A 4 GLN N A 4 GLN CA A 4 GLN C A 5 PHE N 1.0 100.01 140.01 PSI 7 7 A 4 GLN C A 5 PHE N A 5 PHE CA A 5 PHE C 1.0 -111.67 -67.71 PHI 8 8 A 5 PHE N A 5 PHE CA A 5 PHE C A 6 LYS N 1.0 92.13 163.95 PSI 9 9 A 5 PHE C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -133.10 -82.40 PHI 10 10 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 THR N 1.0 -38.07 1.97 PSI 11 11 A 6 LYS C A 7 THR N A 7 THR CA A 7 THR C 1.0 -155.00 -115.00 PHI 12 12 A 7 THR N A 7 THR CA A 7 THR C A 8 ALA N 1.0 139.77 179.77 PSI 13 13 A 7 THR C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -83.86 -43.86 PHI 14 14 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 SER N 1.0 -55.99 -15.99 PSI 15 15 A 8 ALA C A 9 SER N A 9 SER CA A 9 SER C 1.0 -81.39 -41.39 PHI 16 16 A 9 SER N A 9 SER CA A 9 SER C A 10 GLU N 1.0 -58.59 -18.59 PSI 17 17 A 9 SER C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -89.33 -49.33 PHI 18 18 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 PHE N 1.0 -59.27 -19.27 PSI 19 19 A 10 GLU C A 11 PHE N A 11 PHE CA A 11 PHE C 1.0 -85.10 -45.10 PHI 20 20 A 11 PHE N A 11 PHE CA A 11 PHE C A 12 ASP N 1.0 -63.65 -23.65 PSI 21 21 A 11 PHE C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -81.90 -41.90 PHI 22 22 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 SER N 1.0 -60.28 -20.28 PSI 23 23 A 12 ASP C A 13 SER N A 13 SER CA A 13 SER C 1.0 -87.01 -47.01 PHI 24 24 A 13 SER N A 13 SER CA A 13 SER C A 14 ALA N 1.0 -57.78 -17.78 PSI 25 25 A 13 SER C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -85.95 -45.95 PHI 26 26 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 ILE N 1.0 -61.10 -21.10 PSI 27 27 A 14 ALA C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -90.39 -50.39 PHI 28 28 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 ALA N 1.0 -42.67 -2.67 PSI 29 29 A 15 ILE C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -107.47 -67.47 PHI 30 30 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 GLN N 1.0 -29.20 16.20 PSI 31 31 A 16 ALA C A 17 GLN N A 17 GLN CA A 17 GLN C 1.0 -172.55 -50.29 PHI 32 32 A 17 GLN N A 17 GLN CA A 17 GLN C A 18 ASP N 1.0 124.96 175.70 PSI 33 33 A 18 ASP C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -173.10 -109.44 PHI 34 34 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 LEU N 1.0 121.63 178.09 PSI 35 35 A 19 LYS C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -97.89 -55.59 PHI 36 36 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 VAL N 1.0 105.75 145.75 PSI 37 37 A 20 LEU C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -137.03 -88.81 PHI 38 38 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 VAL N 1.0 108.22 148.22 PSI 39 39 A 21 VAL C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -127.31 -87.31 PHI 40 40 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 VAL N 1.0 103.94 143.94 PSI 41 41 A 22 VAL C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -127.20 -86.58 PHI 42 42 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 ALA N 1.0 103.01 143.01 PSI 43 43 A 23 VAL C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -128.34 -81.90 PHI 44 44 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 PHE N 1.0 97.70 137.70 PSI 45 45 A 24 ALA C A 25 PHE N A 25 PHE CA A 25 PHE C 1.0 -111.34 -71.34 PHI 46 46 A 25 PHE N A 25 PHE CA A 25 PHE C A 26 TYR N 1.0 102.84 142.84 PSI 47 47 A 25 PHE C A 26 TYR N A 26 TYR CA A 26 TYR C 1.0 -162.66 -122.66 PHI 48 48 A 26 TYR N A 26 TYR CA A 26 TYR C A 27 ALA N 1.0 148.39 188.39 PSI 49 49 A 26 TYR C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -169.80 -117.02 PHI 50 50 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 THR N 1.0 130.70 170.70 PSI 51 51 A 27 ALA C A 28 THR N A 28 THR CA A 28 THR C 1.0 -83.43 -43.43 PHI 52 52 A 28 THR N A 28 THR CA A 28 THR C A 29 TRP N 1.0 -46.40 -6.40 PSI 53 53 A 30 CYS C A 31 GLY N A 31 GLY CA A 31 GLY C 1.0 -83.44 -43.44 PHI 54 54 A 31 GLY N A 31 GLY CA A 31 GLY C A 32 PRO N 1.0 -69.04 -29.04 PSI 55 55 A 31 GLY C A 32 PRO N A 32 PRO CA A 32 PRO C 1.0 -75.61 -35.61 PHI 56 56 A 32 PRO N A 32 PRO CA A 32 PRO C A 33 CYS N 1.0 -55.31 -15.31 PSI 57 57 A 32 PRO C A 33 CYS N A 33 CYS CA A 33 CYS C 1.0 -82.98 -42.98 PHI 58 58 A 33 CYS N A 33 CYS CA A 33 CYS C A 34 LYS N 1.0 -61.00 -21.00 PSI 59 59 A 33 CYS C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -86.02 -46.02 PHI 60 60 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 MET N 1.0 -56.60 -16.60 PSI 61 61 A 34 LYS C A 35 MET N A 35 MET CA A 35 MET C 1.0 -89.46 -49.46 PHI 62 62 A 35 MET N A 35 MET CA A 35 MET C A 36 ILE N 1.0 -51.91 -11.91 PSI 63 63 A 35 MET C A 36 ILE N A 36 ILE CA A 36 ILE C 1.0 -117.65 -77.65 PHI 64 64 A 36 ILE N A 36 ILE CA A 36 ILE C A 37 ALA N 1.0 -21.69 18.31 PSI 65 65 A 36 ILE C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -77.54 -37.54 PHI 66 66 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 PRO N 1.0 -66.25 -26.25 PSI 67 67 A 37 ALA C A 38 PRO N A 38 PRO CA A 38 PRO C 1.0 -80.84 -40.84 PHI 68 68 A 38 PRO N A 38 PRO CA A 38 PRO C A 39 MET N 1.0 -59.17 -19.17 PSI 69 69 A 38 PRO C A 39 MET N A 39 MET CA A 39 MET C 1.0 -89.16 -49.16 PHI 70 70 A 39 MET N A 39 MET CA A 39 MET C A 40 ILE N 1.0 -60.37 -20.37 PSI 71 71 A 39 MET C A 40 ILE N A 40 ILE CA A 40 ILE C 1.0 -82.97 -42.97 PHI 72 72 A 40 ILE N A 40 ILE CA A 40 ILE C A 41 GLU N 1.0 -59.10 -19.10 PSI 73 73 A 40 ILE C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -83.49 -43.49 PHI 74 74 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 LYS N 1.0 -61.82 -21.82 PSI 75 75 A 41 GLU C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -84.96 -44.96 PHI 76 76 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 PHE N 1.0 -60.42 -20.42 PSI 77 77 A 42 LYS C A 43 PHE N A 43 PHE CA A 43 PHE C 1.0 -87.32 -47.32 PHI 78 78 A 43 PHE N A 43 PHE CA A 43 PHE C A 44 SER N 1.0 -55.85 -15.85 PSI 79 79 A 43 PHE C A 44 SER N A 44 SER CA A 44 SER C 1.0 -85.18 -45.18 PHI 80 80 A 44 SER N A 44 SER CA A 44 SER C A 45 GLU N 1.0 -56.31 -16.31 PSI 81 81 A 44 SER C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -90.78 -50.78 PHI 82 82 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 GLN N 1.0 -55.31 -15.31 PSI 83 83 A 46 GLN C A 47 TYR N A 47 TYR CA A 47 TYR C 1.0 -155.26 -101.00 PHI 84 84 A 47 TYR N A 47 TYR CA A 47 TYR C A 48 PRO N 1.0 43.69 99.69 PSI 85 85 A 47 TYR C A 48 PRO N A 48 PRO CA A 48 PRO C 1.0 -83.82 -43.82 PHI 86 86 A 48 PRO N A 48 PRO CA A 48 PRO C A 49 GLN N 1.0 -42.82 -2.82 PSI 87 87 A 48 PRO C A 49 GLN N A 49 GLN CA A 49 GLN C 1.0 -106.10 -66.10 PHI 88 88 A 49 GLN N A 49 GLN CA A 49 GLN C A 50 ALA N 1.0 -21.38 23.48 PSI 89 89 A 49 GLN C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -143.96 -103.96 PHI 90 90 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 ASP N 1.0 112.75 164.77 PSI 91 91 A 50 ALA C A 51 ASP N A 51 ASP CA A 51 ASP C 1.0 -154.82 -91.64 PHI 92 92 A 51 ASP N A 51 ASP CA A 51 ASP C A 52 PHE N 1.0 117.67 163.37 PSI 93 93 A 51 ASP C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -136.37 -83.59 PHI 94 94 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 TYR N 1.0 114.67 154.67 PSI 95 95 A 52 PHE C A 53 TYR N A 53 TYR CA A 53 TYR C 1.0 -151.56 -111.56 PHI 96 96 A 53 TYR N A 53 TYR CA A 53 TYR C A 54 LYS N 1.0 136.88 176.88 PSI 97 97 A 53 TYR C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -152.29 -109.71 PHI 98 98 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 LEU N 1.0 121.83 164.23 PSI 99 99 A 56 ASP C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -81.22 -41.22 PHI 100 100 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 ASP N 1.0 -49.10 -9.10 PSI 101 101 A 57 VAL C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -92.30 -52.30 PHI 102 102 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 GLU N 1.0 -50.87 -2.23 PSI 103 103 A 58 ASP C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -108.39 -62.83 PHI 104 104 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 LEU N 1.0 -44.35 6.65 PSI 105 105 A 60 LEU C A 61 GLY N A 61 GLY CA A 61 GLY C 1.0 -77.84 -37.84 PHI 106 106 A 61 GLY N A 61 GLY CA A 61 GLY C A 62 ASP N 1.0 -61.51 -21.51 PSI 107 107 A 61 GLY C A 62 ASP N A 62 ASP CA A 62 ASP C 1.0 -83.23 -43.23 PHI 108 108 A 62 ASP N A 62 ASP CA A 62 ASP C A 63 VAL N 1.0 -60.35 -20.35 PSI 109 109 A 62 ASP C A 63 VAL N A 63 VAL CA A 63 VAL C 1.0 -87.86 -47.86 PHI 110 110 A 63 VAL N A 63 VAL CA A 63 VAL C A 64 ALA N 1.0 -64.25 -24.25 PSI 111 111 A 63 VAL C A 64 ALA N A 64 ALA CA A 64 ALA C 1.0 -84.40 -44.40 PHI 112 112 A 64 ALA N A 64 ALA CA A 64 ALA C A 65 GLN N 1.0 -62.13 -22.13 PSI 113 113 A 64 ALA C A 65 GLN N A 65 GLN CA A 65 GLN C 1.0 -85.11 -45.11 PHI 114 114 A 65 GLN N A 65 GLN CA A 65 GLN C A 66 LYS N 1.0 -60.18 -20.18 PSI 115 115 A 65 GLN C A 66 LYS N A 66 LYS CA A 66 LYS C 1.0 -85.65 -45.65 PHI 116 116 A 66 LYS N A 66 LYS CA A 66 LYS C A 67 ASN N 1.0 -49.70 -9.70 PSI 117 117 A 66 LYS C A 67 ASN N A 67 ASN CA A 67 ASN C 1.0 -115.22 -75.22 PHI 118 118 A 67 ASN N A 67 ASN CA A 67 ASN C A 68 GLU N 1.0 -12.56 27.44 PSI 119 119 A 67 ASN C A 68 GLU N A 68 GLU CA A 68 GLU C 1.0 38.14 78.14 PHI 120 120 A 68 GLU N A 68 GLU CA A 68 GLU C A 69 VAL N 1.0 17.92 57.92 PSI 121 121 A 68 GLU C A 69 VAL N A 69 VAL CA A 69 VAL C 1.0 -99.56 -55.38 PHI 122 122 A 69 VAL N A 69 VAL CA A 69 VAL C A 70 SER N 1.0 110.91 150.91 PSI 123 123 A 70 SER C A 71 ALA N A 71 ALA CA A 71 ALA C 1.0 -178.41 -71.43 PHI 124 124 A 71 ALA N A 71 ALA CA A 71 ALA C A 72 MET N 1.0 116.55 173.31 PSI 125 125 A 71 ALA C A 72 MET N A 72 MET CA A 72 MET C 1.0 -146.88 -24.76 PHI 126 126 A 72 MET N A 72 MET CA A 72 MET C A 73 PRO N 1.0 112.95 157.21 PSI 127 127 A 72 MET C A 73 PRO N A 73 PRO CA A 73 PRO C 1.0 -85.94 -45.94 PHI 128 128 A 73 PRO N A 73 PRO CA A 73 PRO C A 74 THR N 1.0 130.04 170.04 PSI 129 129 A 73 PRO C A 74 THR N A 74 THR CA A 74 THR C 1.0 -163.59 -117.35 PHI 130 130 A 74 THR N A 74 THR CA A 74 THR C A 75 LEU N 1.0 117.27 161.23 PSI 131 131 A 74 THR C A 75 LEU N A 75 LEU CA A 75 LEU C 1.0 -136.96 -96.96 PHI 132 132 A 75 LEU N A 75 LEU CA A 75 LEU C A 76 LEU N 1.0 108.66 148.66 PSI 133 133 A 75 LEU C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -145.24 -105.24 PHI 134 134 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 LEU N 1.0 113.48 153.48 PSI 135 135 A 76 LEU C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -127.91 -81.95 PHI 136 136 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 PHE N 1.0 106.34 146.34 PSI 137 137 A 77 LEU C A 78 PHE N A 78 PHE CA A 78 PHE C 1.0 -137.32 -97.32 PHI 138 138 A 78 PHE N A 78 PHE CA A 78 PHE C A 79 LYS N 1.0 125.45 165.45 PSI 139 139 A 78 PHE C A 79 LYS N A 79 LYS CA A 79 LYS C 1.0 -162.86 -122.86 PHI 140 140 A 79 LYS N A 79 LYS CA A 79 LYS C A 80 ASN N 1.0 108.53 148.53 PSI 141 141 A 79 LYS C A 80 ASN N A 80 ASN CA A 80 ASN C 1.0 37.21 77.21 PHI 142 142 A 80 ASN N A 80 ASN CA A 80 ASN C A 81 GLY N 1.0 15.65 55.65 PSI 143 143 A 80 ASN C A 81 GLY N A 81 GLY CA A 81 GLY C 1.0 63.05 103.05 PHI 144 144 A 81 GLY N A 81 GLY CA A 81 GLY C A 82 LYS N 1.0 -11.39 28.61 PSI 145 145 A 84 VAL C A 85 ALA N A 85 ALA CA A 85 ALA C 1.0 -178.40 -138.40 PHI 146 146 A 85 ALA N A 85 ALA CA A 85 ALA C A 86 LYS N 1.0 131.44 176.24 PSI 147 147 A 85 ALA C A 86 LYS N A 86 LYS CA A 86 LYS C 1.0 -155.31 -106.79 PHI 148 148 A 86 LYS N A 86 LYS CA A 86 LYS C A 87 VAL N 1.0 108.03 148.03 PSI 149 149 A 86 LYS C A 87 VAL N A 87 VAL CA A 87 VAL C 1.0 -131.32 -91.32 PHI 150 150 A 87 VAL N A 87 VAL CA A 87 VAL C A 88 VAL N 1.0 103.21 143.21 PSI 151 151 A 92 PRO C A 93 ALA N A 93 ALA CA A 93 ALA C 1.0 -87.12 -47.12 PHI 152 152 A 93 ALA N A 93 ALA CA A 93 ALA C A 94 ALA N 1.0 -58.13 -18.13 PSI 153 153 A 93 ALA C A 94 ALA N A 94 ALA CA A 94 ALA C 1.0 -87.98 -47.98 PHI 154 154 A 94 ALA N A 94 ALA CA A 94 ALA C A 95 ILE N 1.0 -60.13 -20.13 PSI 155 155 A 94 ALA C A 95 ILE N A 95 ILE CA A 95 ILE C 1.0 -85.22 -45.22 PHI 156 156 A 95 ILE N A 95 ILE CA A 95 ILE C A 96 LYS N 1.0 -63.83 -23.83 PSI 157 157 A 95 ILE C A 96 LYS N A 96 LYS CA A 96 LYS C 1.0 -81.14 -41.14 PHI 158 158 A 96 LYS N A 96 LYS CA A 96 LYS C A 97 GLN N 1.0 -61.84 -21.84 PSI 159 159 A 96 LYS C A 97 GLN N A 97 GLN CA A 97 GLN C 1.0 -84.41 -44.41 PHI 160 160 A 97 GLN N A 97 GLN CA A 97 GLN C A 98 ALA N 1.0 -60.68 -20.68 PSI 161 161 A 97 GLN C A 98 ALA N A 98 ALA CA A 98 ALA C 1.0 -86.20 -46.20 PHI 162 162 A 98 ALA N A 98 ALA CA A 98 ALA C A 99 ILE N 1.0 -61.34 -21.34 PSI 163 163 A 98 ALA C A 99 ILE N A 99 ILE CA A 99 ILE C 1.0 -84.07 -44.07 PHI 164 164 A 99 ILE N A 99 ILE CA A 99 ILE C A 100 ALA N 1.0 -66.97 -26.97 PSI 165 165 A 99 ILE C A 100 ALA N A 100 ALA CA A 100 ALA C 1.0 -84.73 -44.73 PHI 166 166 A 100 ALA N A 100 ALA CA A 100 ALA C A 101 ALA N 1.0 -59.73 -19.73 PSI 167 167 A 100 ALA C A 101 ALA N A 101 ALA CA A 101 ALA C 1.0 -88.78 -48.78 PHI 168 168 A 101 ALA N A 101 ALA CA A 101 ALA C A 102 ASN N 1.0 -45.36 -5.36 PSI stop_ save_