data_nef_c30550_6nbn save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6NBN 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 18 CYS SG 1 49 CYS SG 1 45 CYS SG 1 98 CYS SG 1 88 CYS SG 1 107 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 GLU middle . . 3 A 3 PHE middle . . 4 A 4 THR middle . . 5 A 5 VAL middle . . 6 A 6 SER middle . . 7 A 7 THR middle . . 8 A 8 THR middle . . 9 A 9 GLU middle . . 10 A 10 ASP middle . . 11 A 11 LEU middle . . 12 A 12 GLN middle . . 13 A 13 ARG middle . . 14 A 14 TYR middle . . 15 A 15 ARG middle . . 16 A 16 THR middle . . 17 A 17 GLU middle . . 18 A 18 CYS middle -HG . 19 A 19 VAL middle . . 20 A 20 SER middle . . 21 A 21 SER middle . . 22 A 22 LEU middle . . 23 A 23 ASN middle . . 24 A 24 ILE middle . . 25 A 25 PRO middle . false 26 A 26 ALA middle . . 27 A 27 ASP middle . . 28 A 28 TYR middle . . 29 A 29 VAL middle . . 30 A 30 GLU middle . . 31 A 31 LYS middle . . 32 A 32 PHE middle . . 33 A 33 LYS middle . . 34 A 34 LYS middle . . 35 A 35 TRP middle . . 36 A 36 GLU middle . . 37 A 37 PHE middle . . 38 A 38 PRO middle . false 39 A 39 GLU middle . . 40 A 40 ASP middle . . 41 A 41 ASP middle . . 42 A 42 THR middle . . 43 A 43 THR middle . . 44 A 44 MET middle . . 45 A 45 CYS middle -HG . 46 A 46 TYR middle . . 47 A 47 ILE middle . . 48 A 48 LYS middle . . 49 A 49 CYS middle -HG . 50 A 50 VAL middle . . 51 A 51 PHE middle . . 52 A 52 ASN middle . . 53 A 53 LYS middle . . 54 A 54 MET middle . . 55 A 55 GLN middle . . 56 A 56 LEU middle . . 57 A 57 PHE middle . . 58 A 58 ASP middle . . 59 A 59 ASP middle . . 60 A 60 THR middle . . 61 A 61 GLU middle . . 62 A 62 GLY middle . false 63 A 63 PRO middle . false 64 A 64 LEU middle . . 65 A 65 VAL middle . . 66 A 66 ASP middle . . 67 A 67 ASN middle . . 68 A 68 LEU middle . . 69 A 69 VAL middle . . 70 A 70 HIS middle . . 71 A 71 GLN middle . . 72 A 72 LEU middle . . 73 A 73 ALA middle . . 74 A 74 HIS middle . . 75 A 75 GLY middle . false 76 A 76 ARG middle . . 77 A 77 ASP middle . . 78 A 78 ALA middle . . 79 A 79 GLU middle . . 80 A 80 GLU middle . . 81 A 81 VAL middle . . 82 A 82 ARG middle . . 83 A 83 THR middle . . 84 A 84 GLU middle . . 85 A 85 VAL middle . . 86 A 86 LEU middle . . 87 A 87 LYS middle . . 88 A 88 CYS middle -HG . 89 A 89 VAL middle . . 90 A 90 ASP middle . . 91 A 91 LYS middle . . 92 A 92 ASN middle . . 93 A 93 THR middle . . 94 A 94 ASP middle . . 95 A 95 ASN middle . . 96 A 96 ASN middle . . 97 A 97 ALA middle . . 98 A 98 CYS middle -HG . 99 A 99 HIS middle . . 100 A 100 TRP middle . . 101 A 101 ALA middle . . 102 A 102 PHE middle . . 103 A 103 ARG middle . . 104 A 104 GLY middle . false 105 A 105 PHE middle . . 106 A 106 LYS middle . . 107 A 107 CYS middle -HG . 108 A 108 PHE middle . . 109 A 109 GLN middle . . 110 A 110 LYS middle . . 111 A 111 ASN middle . . 112 A 112 ASN middle . . 113 A 113 LEU middle . . 114 A 114 SER middle . . 115 A 115 LEU middle . . 116 A 116 ILE middle . . 117 A 117 LYS middle . . 118 A 118 ALA middle . . 119 A 119 SER middle . . 120 A 120 ILE middle . . 121 A 121 LYS middle . . 122 A 122 LYS middle . . 123 A 123 ASP end . . 124 B 1 ACD . . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 GLU HA H 1 4.378 0.006 A 2 GLU HBx H 1 1.927 0.008 A 2 GLU HBy H 1 2.040 0.002 A 2 GLU HG2 H 1 2.266 0.008 A 2 GLU HG3 H 1 2.266 0.008 A 2 GLU C C 13 175.389 0.1 A 2 GLU CA C 13 56.290 0.031 A 2 GLU CB C 13 30.530 0.039 A 2 GLU CG C 13 36.092 0.009 A 3 PHE H H 1 8.653 0.014 A 3 PHE HA H 1 4.283 0.008 A 3 PHE HB2 H 1 3.033 0.005 A 3 PHE HB3 H 1 2.611 0.008 A 3 PHE HD1 H 1 6.922 0.008 A 3 PHE HD2 H 1 6.922 0.008 A 3 PHE HE1 H 1 7.226 0.01 A 3 PHE HE2 H 1 7.226 0.01 A 3 PHE HZ H 1 7.390 0.008 A 3 PHE C C 13 174.736 0.1 A 3 PHE CA C 13 59.400 0.035 A 3 PHE CB C 13 40.228 0.026 A 3 PHE CD1 C 13 131.201 0.1 A 3 PHE CD2 C 13 131.201 0.1 A 3 PHE CE1 C 13 131.613 0.1 A 3 PHE CE2 C 13 131.613 0.1 A 3 PHE CZ C 13 130.600 0.1 A 3 PHE N N 15 124.430 0.031 A 4 THR H H 1 7.065 0.006 A 4 THR HA H 1 4.082 0.008 A 4 THR HB H 1 3.754 0.007 A 4 THR HG2% H 1 1.056 0.006 A 4 THR C C 13 171.773 0.1 A 4 THR CA C 13 59.929 0.046 A 4 THR CB C 13 70.650 0.051 A 4 THR CG2 C 13 21.367 0.07 A 4 THR N N 15 121.816 0.01 A 5 VAL H H 1 7.967 0.007 A 5 VAL HA H 1 3.756 0.004 A 5 VAL HB H 1 1.930 0.005 A 5 VAL HGx% H 1 0.967 0.008 A 5 VAL HGy% H 1 0.976 0.008 A 5 VAL C C 13 177.235 0.1 A 5 VAL CA C 13 62.932 0.023 A 5 VAL CB C 13 32.544 0.011 A 5 VAL CGy C 13 22.085 0.015 A 5 VAL CGx C 13 21.704 0.02 A 5 VAL N N 15 122.959 0.013 A 6 SER H H 1 9.654 0.008 A 6 SER HA H 1 4.936 0.008 A 6 SER HBx H 1 3.802 0.01 A 6 SER HBy H 1 3.882 0.006 A 6 SER C C 13 174.414 0.1 A 6 SER CA C 13 60.340 0.051 A 6 SER CB C 13 65.498 0.026 A 6 SER N N 15 125.411 0.039 A 7 THR H H 1 9.584 0.006 A 7 THR HA H 1 5.013 0.008 A 7 THR HB H 1 4.700 0.002 A 7 THR HG2% H 1 1.302 0.005 A 7 THR C C 13 176.970 0.1 A 7 THR CA C 13 60.099 0.054 A 7 THR CB C 13 72.999 0.043 A 7 THR CG2 C 13 21.284 0.031 A 7 THR N N 15 113.904 0.026 A 8 THR H H 1 8.783 0.006 A 8 THR HA H 1 3.872 0.008 A 8 THR HB H 1 4.233 0.004 A 8 THR HG2% H 1 1.349 0.011 A 8 THR CA C 13 66.629 0.049 A 8 THR CB C 13 68.761 0.029 A 8 THR CG2 C 13 22.161 0.026 A 8 THR N N 15 115.068 0.017 A 9 GLU H H 1 8.312 0.004 A 9 GLU HA H 1 4.021 0.003 A 9 GLU HB2 H 1 1.921 0.006 A 9 GLU HB3 H 1 1.921 0.006 A 9 GLU HG2 H 1 2.267 0.013 A 9 GLU HG3 H 1 2.267 0.013 A 9 GLU C C 13 179.181 0.1 A 9 GLU CA C 13 59.713 0.029 A 9 GLU CB C 13 29.329 0.015 A 9 GLU CG C 13 36.848 0.025 A 9 GLU N N 15 121.180 0.012 A 10 ASP H H 1 7.234 0.007 A 10 ASP HA H 1 4.005 0.006 A 10 ASP HB2 H 1 2.783 0.006 A 10 ASP HB3 H 1 2.481 0.009 A 10 ASP C C 13 176.198 0.1 A 10 ASP CA C 13 57.021 0.036 A 10 ASP CB C 13 40.977 0.029 A 10 ASP N N 15 119.868 0.017 A 11 LEU H H 1 8.118 0.005 A 11 LEU HA H 1 3.918 0.009 A 11 LEU HB2 H 1 1.367 0.008 A 11 LEU HB3 H 1 2.012 0.006 A 11 LEU HD1% H 1 1.037 0.004 A 11 LEU HD2% H 1 1.036 0.004 A 11 LEU HG H 1 1.599 0.003 A 11 LEU C C 13 177.659 0.1 A 11 LEU CA C 13 58.347 0.019 A 11 LEU CB C 13 41.674 0.024 A 11 LEU CD1 C 13 23.905 0.042 A 11 LEU CD2 C 13 26.224 0.042 A 11 LEU CG C 13 27.790 0.013 A 11 LEU N N 15 118.084 0.032 A 12 GLN H H 1 7.986 0.007 A 12 GLN HA H 1 3.952 0.012 A 12 GLN HBx H 1 2.146 0.018 A 12 GLN HBy H 1 2.179 0.017 A 12 GLN HE21 H 1 7.408 0.003 A 12 GLN HE22 H 1 6.935 0.006 A 12 GLN HGx H 1 2.469 0.02 A 12 GLN HGy H 1 2.503 0.019 A 12 GLN C C 13 178.402 0.1 A 12 GLN CA C 13 59.264 0.021 A 12 GLN CB C 13 28.019 0.013 A 12 GLN CG C 13 33.866 0.033 A 12 GLN N N 15 116.291 0.021 A 12 GLN NE2 N 15 111.837 0.02 A 13 ARG H H 1 7.256 0.008 A 13 ARG HA H 1 4.140 0.009 A 13 ARG HBx H 1 1.809 0.013 A 13 ARG HBy H 1 1.817 0.014 A 13 ARG HDx H 1 3.222 0.001 A 13 ARG HDy H 1 3.262 0.008 A 13 ARG HE H 1 7.480 0.009 A 13 ARG HGy H 1 1.713 0.003 A 13 ARG HGx H 1 1.422 0.002 A 13 ARG C C 13 178.559 0.1 A 13 ARG CA C 13 59.663 0.04 A 13 ARG CB C 13 29.961 0.018 A 13 ARG CD C 13 43.643 0.077 A 13 ARG CG C 13 28.308 0.063 A 13 ARG N N 15 120.946 0.017 A 13 ARG NE N 15 84.358 0.019 A 14 TYR H H 1 8.515 0.006 A 14 TYR HA H 1 4.598 0.006 A 14 TYR HB2 H 1 3.027 0.016 A 14 TYR HB3 H 1 3.145 0.015 A 14 TYR HD1 H 1 6.831 0.015 A 14 TYR HD2 H 1 6.831 0.015 A 14 TYR HE1 H 1 6.805 0.011 A 14 TYR HE2 H 1 6.805 0.011 A 14 TYR C C 13 178.288 0.1 A 14 TYR CA C 13 57.820 0.049 A 14 TYR CB C 13 36.841 0.091 A 14 TYR CD1 C 13 131.829 0.025 A 14 TYR CD2 C 13 131.829 0.025 A 14 TYR CE1 C 13 117.688 0.028 A 14 TYR CE2 C 13 117.688 0.028 A 14 TYR N N 15 120.228 0.019 A 15 ARG H H 1 9.278 0.006 A 15 ARG HA H 1 4.370 0.008 A 15 ARG HB2 H 1 1.944 0.009 A 15 ARG HB3 H 1 2.154 0.005 A 15 ARG HD2 H 1 3.260 0.011 A 15 ARG HD3 H 1 3.260 0.011 A 15 ARG HE H 1 8.891 0.01 A 15 ARG HGy H 1 2.386 0.005 A 15 ARG HGx H 1 1.590 0.015 A 15 ARG C C 13 178.305 0.1 A 15 ARG CA C 13 59.921 0.03 A 15 ARG CB C 13 30.815 0.064 A 15 ARG CD C 13 44.343 0.03 A 15 ARG CG C 13 25.582 0.063 A 15 ARG N N 15 121.070 0.022 A 15 ARG NE N 15 85.011 0.04 A 16 THR H H 1 7.700 0.004 A 16 THR HA H 1 3.898 0.005 A 16 THR HB H 1 4.473 0.004 A 16 THR HG2% H 1 1.349 0.005 A 16 THR C C 13 177.505 0.1 A 16 THR CA C 13 66.986 0.036 A 16 THR CB C 13 68.981 0.022 A 16 THR CG2 C 13 21.770 0.033 A 16 THR N N 15 114.519 0.018 A 17 GLU H H 1 8.619 0.006 A 17 GLU HA H 1 4.170 0.004 A 17 GLU HB2 H 1 2.317 0.007 A 17 GLU HB3 H 1 2.027 0.008 A 17 GLU HGy H 1 2.744 0.005 A 17 GLU HGx H 1 2.330 0.006 A 17 GLU C C 13 180.212 0.1 A 17 GLU CA C 13 59.568 0.042 A 17 GLU CB C 13 30.306 0.017 A 17 GLU CG C 13 36.426 0.045 A 17 GLU N N 15 121.652 0.016 A 18 CYS H H 1 9.045 0.006 A 18 CYS HA H 1 4.488 0.005 A 18 CYS HB2 H 1 3.329 0.004 A 18 CYS HB3 H 1 2.842 0.005 A 18 CYS C C 13 176.436 0.1 A 18 CYS CA C 13 59.568 0.031 A 18 CYS CB C 13 41.522 0.028 A 18 CYS N N 15 119.918 0.015 A 19 VAL H H 1 9.253 0.005 A 19 VAL HA H 1 3.710 0.004 A 19 VAL HB H 1 2.357 0.003 A 19 VAL HG1% H 1 1.039 0.007 A 19 VAL HG2% H 1 1.158 0.008 A 19 VAL C C 13 178.785 0.1 A 19 VAL CA C 13 67.126 0.011 A 19 VAL CB C 13 31.745 0.025 A 19 VAL CG1 C 13 21.374 0.013 A 19 VAL CG2 C 13 24.743 0.018 A 19 VAL N N 15 121.165 0.014 A 20 SER H H 1 7.883 0.006 A 20 SER HA H 1 4.420 0.006 A 20 SER HB2 H 1 4.068 0.008 A 20 SER HB3 H 1 4.068 0.008 A 20 SER C C 13 177.776 0.1 A 20 SER CA C 13 61.103 0.058 A 20 SER CB C 13 63.063 0.035 A 20 SER N N 15 112.300 0.042 A 21 SER H H 1 8.537 0.009 A 21 SER HA H 1 4.255 0.006 A 21 SER HB2 H 1 4.022 0.007 A 21 SER HB3 H 1 4.022 0.007 A 21 SER C C 13 176.482 0.1 A 21 SER CA C 13 61.628 0.069 A 21 SER CB C 13 63.119 0.022 A 21 SER N N 15 116.574 0.023 A 22 LEU H H 1 7.932 0.007 A 22 LEU HA H 1 4.470 0.006 A 22 LEU HB2 H 1 1.900 0.015 A 22 LEU HB3 H 1 1.693 0.009 A 22 LEU HD1% H 1 0.954 0.009 A 22 LEU HD2% H 1 0.866 0.009 A 22 LEU HG H 1 1.877 0.009 A 22 LEU C C 13 176.476 0.1 A 22 LEU CA C 13 54.603 0.043 A 22 LEU CB C 13 41.743 0.06 A 22 LEU CD1 C 13 25.682 0.022 A 22 LEU CD2 C 13 22.258 0.07 A 22 LEU CG C 13 27.327 0.039 A 22 LEU N N 15 118.611 0.016 A 23 ASN H H 1 7.784 0.007 A 23 ASN HA H 1 4.416 0.004 A 23 ASN HBx H 1 2.725 0.004 A 23 ASN HBy H 1 3.044 0.005 A 23 ASN HD21 H 1 6.771 0.006 A 23 ASN HD22 H 1 7.520 0.004 A 23 ASN C C 13 174.941 0.1 A 23 ASN CA C 13 53.916 0.06 A 23 ASN CB C 13 36.957 0.031 A 23 ASN N N 15 118.781 0.013 A 23 ASN ND2 N 15 112.268 0.034 A 24 ILE H H 1 8.075 0.005 A 24 ILE HA H 1 4.049 0.007 A 24 ILE HB H 1 1.935 0.006 A 24 ILE HD1% H 1 0.897 0.012 A 24 ILE HG1x H 1 1.432 0.009 A 24 ILE HG1y H 1 1.562 0.008 A 24 ILE HG2% H 1 0.837 0.011 A 24 ILE CA C 13 58.356 0.028 A 24 ILE CB C 13 37.545 0.031 A 24 ILE CD1 C 13 12.849 0.018 A 24 ILE CG1 C 13 28.364 0.048 A 24 ILE CG2 C 13 17.143 0.018 A 24 ILE N N 15 120.439 0.017 A 25 PRO HA H 1 4.512 0.004 A 25 PRO HBx H 1 2.213 0.006 A 25 PRO HBy H 1 2.527 0.004 A 25 PRO HDy H 1 4.077 0.01 A 25 PRO HDx H 1 3.192 0.006 A 25 PRO HGx H 1 2.075 0.01 A 25 PRO HGy H 1 2.104 0.013 A 25 PRO C C 13 177.997 0.1 A 25 PRO CA C 13 62.821 0.02 A 25 PRO CB C 13 33.191 0.03 A 25 PRO CD C 13 51.440 0.021 A 25 PRO CG C 13 27.789 0.058 A 26 ALA H H 1 8.696 0.01 A 26 ALA HA H 1 3.941 0.005 A 26 ALA HB% H 1 1.452 0.005 A 26 ALA C C 13 179.618 0.1 A 26 ALA CA C 13 55.623 0.008 A 26 ALA CB C 13 18.496 0.063 A 26 ALA N N 15 124.624 0.016 A 27 ASP H H 1 8.887 0.007 A 27 ASP HA H 1 4.195 0.006 A 27 ASP HBx H 1 2.437 0.003 A 27 ASP HBy H 1 2.532 0.008 A 27 ASP C C 13 179.295 0.1 A 27 ASP CA C 13 56.434 0.013 A 27 ASP CB C 13 39.674 0.026 A 27 ASP N N 15 114.676 0.021 A 28 TYR H H 1 7.421 0.006 A 28 TYR HA H 1 3.448 0.003 A 28 TYR HB2 H 1 2.739 0.005 A 28 TYR HB3 H 1 1.963 0.006 A 28 TYR HD1 H 1 6.985 0.008 A 28 TYR HD2 H 1 6.985 0.008 A 28 TYR HE1 H 1 7.130 0.01 A 28 TYR HE2 H 1 7.130 0.01 A 28 TYR C C 13 176.151 0.1 A 28 TYR CA C 13 61.800 0.036 A 28 TYR CB C 13 38.002 0.038 A 28 TYR CD1 C 13 131.960 0.1 A 28 TYR CD2 C 13 131.960 0.1 A 28 TYR CE1 C 13 118.349 0.063 A 28 TYR CE2 C 13 118.349 0.063 A 28 TYR N N 15 118.776 0.015 A 29 VAL H H 1 6.832 0.008 A 29 VAL HA H 1 2.911 0.005 A 29 VAL HB H 1 2.091 0.004 A 29 VAL HG1% H 1 0.902 0.007 A 29 VAL HG2% H 1 0.889 0.007 A 29 VAL C C 13 177.567 0.1 A 29 VAL CA C 13 66.846 0.027 A 29 VAL CB C 13 31.182 0.035 A 29 VAL CG1 C 13 21.502 0.056 A 29 VAL CG2 C 13 23.868 0.06 A 29 VAL N N 15 117.633 0.023 A 30 GLU H H 1 7.272 0.005 A 30 GLU HA H 1 3.830 0.018 A 30 GLU HBx H 1 1.878 0.011 A 30 GLU HBy H 1 1.953 0.015 A 30 GLU HGx H 1 2.239 0.019 A 30 GLU HGy H 1 2.281 0.015 A 30 GLU C C 13 179.103 0.1 A 30 GLU CA C 13 58.642 0.03 A 30 GLU CB C 13 29.264 0.018 A 30 GLU CG C 13 35.861 0.024 A 30 GLU N N 15 114.563 0.032 A 31 LYS H H 1 6.737 0.007 A 31 LYS HA H 1 3.817 0.007 A 31 LYS HB2 H 1 1.682 0.007 A 31 LYS HB3 H 1 1.939 0.008 A 31 LYS HDx H 1 1.013 0.006 A 31 LYS HDy H 1 1.289 0.002 A 31 LYS HE2 H 1 2.660 0.003 A 31 LYS HE3 H 1 2.660 0.003 A 31 LYS HGx H 1 1.167 0.005 A 31 LYS HGy H 1 1.396 0.005 A 31 LYS CA C 13 60.087 0.058 A 31 LYS CB C 13 31.022 0.017 A 31 LYS CD C 13 29.876 0.027 A 31 LYS CE C 13 42.069 0.1 A 31 LYS CG C 13 25.793 0.043 A 31 LYS N N 15 119.156 0.015 A 32 PHE H H 1 8.325 0.004 A 32 PHE HA H 1 3.906 0.004 A 32 PHE HB2 H 1 3.099 0.018 A 32 PHE HB3 H 1 3.344 0.005 A 32 PHE HD1 H 1 6.791 0.023 A 32 PHE HD2 H 1 6.791 0.023 A 32 PHE HE1 H 1 6.812 0.01 A 32 PHE HE2 H 1 6.812 0.01 A 32 PHE HZ H 1 6.786 0.006 A 32 PHE C C 13 180.412 0.1 A 32 PHE CA C 13 56.934 0.023 A 32 PHE CB C 13 36.791 0.048 A 32 PHE N N 15 120.870 0.024 A 33 LYS H H 1 7.849 0.006 A 33 LYS HA H 1 4.009 0.007 A 33 LYS HB2 H 1 1.920 0.011 A 33 LYS HB3 H 1 1.770 0.017 A 33 LYS HGy H 1 1.718 0.005 A 33 LYS HGx H 1 1.431 0.003 A 33 LYS C C 13 177.927 0.1 A 33 LYS CA C 13 59.258 0.046 A 33 LYS CB C 13 33.053 0.014 A 33 LYS CD C 13 29.957 0.1 A 33 LYS CG C 13 26.041 0.03 A 33 LYS N N 15 116.178 0.017 A 34 LYS H H 1 7.502 0.008 A 34 LYS HA H 1 4.549 0.005 A 34 LYS HB2 H 1 1.889 0.008 A 34 LYS HB3 H 1 1.998 0.019 A 34 LYS C C 13 175.338 0.1 A 34 LYS CA C 13 55.474 0.037 A 34 LYS CB C 13 32.233 0.032 A 34 LYS CD C 13 29.395 0.1 A 34 LYS CE C 13 42.712 0.1 A 34 LYS CG C 13 24.788 0.1 A 34 LYS N N 15 117.787 0.014 A 35 TRP H H 1 8.283 0.007 A 35 TRP HA H 1 3.694 0.004 A 35 TRP HBx H 1 3.319 0.009 A 35 TRP HBy H 1 3.863 0.012 A 35 TRP HD1 H 1 7.417 0.006 A 35 TRP HE1 H 1 10.294 0.003 A 35 TRP HE3 H 1 7.967 0.011 A 35 TRP HH2 H 1 7.107 0.009 A 35 TRP HZ2 H 1 7.442 0.009 A 35 TRP HZ3 H 1 7.195 0.005 A 35 TRP C C 13 173.828 0.1 A 35 TRP CA C 13 58.686 0.017 A 35 TRP CB C 13 25.474 0.031 A 35 TRP CD1 C 13 127.459 0.052 A 35 TRP CE3 C 13 120.488 0.105 A 35 TRP CH2 C 13 123.670 0.03 A 35 TRP CZ2 C 13 114.227 0.068 A 35 TRP CZ3 C 13 121.585 0.057 A 35 TRP N N 15 119.245 0.016 A 35 TRP NE1 N 15 129.564 0.019 A 36 GLU H H 1 7.577 0.006 A 36 GLU HA H 1 4.348 0.004 A 36 GLU HBx H 1 1.685 0.012 A 36 GLU HBy H 1 1.704 0.01 A 36 GLU HGx H 1 1.928 0.006 A 36 GLU HGy H 1 2.143 0.007 A 36 GLU C C 13 173.187 0.1 A 36 GLU CA C 13 54.974 0.027 A 36 GLU CB C 13 30.616 0.018 A 36 GLU CG C 13 35.823 0.034 A 36 GLU N N 15 121.285 0.016 A 37 PHE H H 1 8.102 0.008 A 37 PHE HA H 1 5.188 0.008 A 37 PHE HB2 H 1 3.104 0.011 A 37 PHE HB3 H 1 3.104 0.011 A 37 PHE HD1 H 1 7.127 0.016 A 37 PHE HD2 H 1 7.127 0.016 A 37 PHE HE1 H 1 6.581 0.023 A 37 PHE HE2 H 1 6.581 0.023 A 37 PHE HZ H 1 6.650 0.004 A 37 PHE CA C 13 54.479 0.086 A 37 PHE CB C 13 40.067 0.079 A 37 PHE CD1 C 13 132.700 0.045 A 37 PHE CD2 C 13 132.700 0.045 A 37 PHE CE1 C 13 130.460 0.036 A 37 PHE CE2 C 13 130.460 0.036 A 37 PHE N N 15 119.303 0.014 A 38 PRO HA H 1 4.350 0.004 A 38 PRO HBx H 1 1.942 0.009 A 38 PRO HBy H 1 2.290 0.005 A 38 PRO HDx H 1 3.829 0.005 A 38 PRO HDy H 1 4.156 0.007 A 38 PRO HGx H 1 1.703 0.014 A 38 PRO HGy H 1 1.755 0.018 A 38 PRO C C 13 175.735 0.1 A 38 PRO CA C 13 62.565 0.022 A 38 PRO CB C 13 32.169 0.028 A 38 PRO CD C 13 50.481 0.011 A 38 PRO CG C 13 27.866 0.051 A 39 GLU H H 1 8.485 0.009 A 39 GLU HA H 1 3.973 0.005 A 39 GLU HBx H 1 1.952 0.004 A 39 GLU HBy H 1 1.998 0.025 A 39 GLU HGx H 1 2.257 0.016 A 39 GLU HGy H 1 2.286 0.02 A 39 GLU C C 13 174.688 0.1 A 39 GLU CA C 13 55.303 0.022 A 39 GLU CB C 13 27.481 0.042 A 39 GLU CG C 13 36.890 0.046 A 39 GLU N N 15 122.594 0.025 A 40 ASP H H 1 7.950 0.004 A 40 ASP HA H 1 4.705 0.005 A 40 ASP HBx H 1 2.711 0.005 A 40 ASP HBy H 1 3.162 0.007 A 40 ASP C C 13 175.521 0.1 A 40 ASP CA C 13 51.475 0.021 A 40 ASP CB C 13 42.602 0.05 A 40 ASP N N 15 122.172 0.026 A 41 ASP H H 1 8.821 0.009 A 41 ASP HA H 1 4.413 0.004 A 41 ASP HB2 H 1 2.654 0.012 A 41 ASP HB3 H 1 2.741 0.029 A 41 ASP C C 13 178.493 0.1 A 41 ASP CA C 13 58.706 0.036 A 41 ASP CB C 13 40.551 0.045 A 41 ASP N N 15 120.190 0.024 A 42 THR H H 1 8.113 0.009 A 42 THR HA H 1 3.867 0.008 A 42 THR HB H 1 4.014 0.011 A 42 THR HG2% H 1 0.614 0.008 A 42 THR C C 13 176.121 0.1 A 42 THR CA C 13 66.528 0.026 A 42 THR CB C 13 68.715 0.018 A 42 THR CG2 C 13 21.041 0.019 A 42 THR N N 15 118.030 0.029 A 43 THR H H 1 8.219 0.009 A 43 THR HA H 1 3.943 0.005 A 43 THR HB H 1 4.436 0.006 A 43 THR HG1 H 1 5.231 0.004 A 43 THR HG2% H 1 1.459 0.006 A 43 THR C C 13 177.160 0.1 A 43 THR CA C 13 66.897 0.026 A 43 THR CB C 13 68.722 0.023 A 43 THR CG2 C 13 23.654 0.033 A 43 THR N N 15 119.806 0.019 A 44 MET H H 1 8.711 0.007 A 44 MET HA H 1 3.635 0.004 A 44 MET HB2 H 1 1.970 0.01 A 44 MET HB3 H 1 1.707 0.01 A 44 MET HE% H 1 1.539 0.008 A 44 MET HGx H 1 1.317 0.005 A 44 MET HGy H 1 2.482 0.004 A 44 MET C C 13 177.646 0.1 A 44 MET CA C 13 61.264 0.026 A 44 MET CB C 13 32.045 0.072 A 44 MET CE C 13 18.083 0.015 A 44 MET CG C 13 31.334 0.032 A 44 MET N N 15 119.235 0.013 A 45 CYS H H 1 8.289 0.011 A 45 CYS HA H 1 4.763 0.009 A 45 CYS HBy H 1 3.144 0.002 A 45 CYS HBx H 1 3.045 0.005 A 45 CYS C C 13 177.512 0.1 A 45 CYS CA C 13 54.733 0.013 A 45 CYS CB C 13 37.011 0.057 A 45 CYS N N 15 113.581 0.023 A 46 TYR H H 1 7.832 0.005 A 46 TYR HA H 1 3.955 0.006 A 46 TYR HB2 H 1 3.058 0.01 A 46 TYR HB3 H 1 3.267 0.006 A 46 TYR HD1 H 1 6.356 0.025 A 46 TYR HD2 H 1 6.356 0.025 A 46 TYR HE1 H 1 6.445 0.017 A 46 TYR HE2 H 1 6.445 0.017 A 46 TYR C C 13 175.377 0.1 A 46 TYR CA C 13 62.436 0.029 A 46 TYR CB C 13 37.196 0.018 A 46 TYR CD1 C 13 132.259 0.1 A 46 TYR CD2 C 13 132.259 0.1 A 46 TYR CE1 C 13 118.173 0.1 A 46 TYR CE2 C 13 118.173 0.1 A 46 TYR N N 15 126.093 0.018 A 47 ILE H H 1 7.979 0.008 A 47 ILE HA H 1 2.773 0.016 A 47 ILE HB H 1 1.811 0.005 A 47 ILE HD1% H 1 -0.466 0.01 A 47 ILE HG1x H 1 0.794 0.005 A 47 ILE HG1y H 1 1.337 0.003 A 47 ILE HG2% H 1 -0.617 0.009 A 47 ILE C C 13 176.728 0.1 A 47 ILE CA C 13 60.915 0.031 A 47 ILE CB C 13 34.635 0.024 A 47 ILE CD1 C 13 7.839 0.058 A 47 ILE CG1 C 13 27.196 0.04 A 47 ILE CG2 C 13 15.444 0.024 A 47 ILE N N 15 119.923 0.012 A 48 LYS H H 1 7.534 0.005 A 48 LYS HA H 1 2.946 0.008 A 48 LYS HB2 H 1 1.519 0.015 A 48 LYS HB3 H 1 1.930 0.009 A 48 LYS HE2 H 1 3.103 0.009 A 48 LYS HE3 H 1 3.103 0.009 A 48 LYS HG2 H 1 1.265 0.004 A 48 LYS HG3 H 1 1.265 0.004 A 48 LYS C C 13 175.977 0.1 A 48 LYS CA C 13 60.750 0.03 A 48 LYS CB C 13 31.904 0.033 A 48 LYS CG C 13 22.679 0.023 A 48 LYS N N 15 117.224 0.028 A 49 CYS H H 1 7.658 0.011 A 49 CYS HA H 1 4.127 0.004 A 49 CYS HB2 H 1 3.288 0.01 A 49 CYS HB3 H 1 3.408 0.005 A 49 CYS C C 13 176.000 0.1 A 49 CYS CA C 13 60.365 0.031 A 49 CYS CB C 13 40.788 0.031 A 49 CYS N N 15 117.831 0.023 A 50 VAL H H 1 8.021 0.007 A 50 VAL HA H 1 3.197 0.006 A 50 VAL HB H 1 1.565 0.006 A 50 VAL HG1% H 1 0.894 0.003 A 50 VAL HG2% H 1 0.395 0.004 A 50 VAL C C 13 178.163 0.1 A 50 VAL CA C 13 67.390 0.023 A 50 VAL CB C 13 31.643 0.013 A 50 VAL CG1 C 13 22.636 0.055 A 50 VAL CG2 C 13 22.658 0.04 A 50 VAL N N 15 121.402 0.013 A 51 PHE H H 1 8.635 0.007 A 51 PHE HA H 1 4.224 0.006 A 51 PHE HB2 H 1 3.087 0.021 A 51 PHE HB3 H 1 3.022 0.01 A 51 PHE HD1 H 1 6.734 0.025 A 51 PHE HD2 H 1 6.734 0.025 A 51 PHE HE1 H 1 6.833 0.012 A 51 PHE HE2 H 1 6.833 0.012 A 51 PHE C C 13 179.705 0.1 A 51 PHE CA C 13 58.452 0.048 A 51 PHE CB C 13 37.270 0.047 A 51 PHE CD1 C 13 128.515 0.019 A 51 PHE CD2 C 13 128.515 0.019 A 51 PHE CE1 C 13 130.450 0.033 A 51 PHE CE2 C 13 130.450 0.033 A 51 PHE N N 15 118.862 0.014 A 52 ASN H H 1 9.533 0.006 A 52 ASN HA H 1 4.763 0.007 A 52 ASN HBx H 1 3.002 0.01 A 52 ASN HBy H 1 3.250 0.006 A 52 ASN HD21 H 1 7.163 0.002 A 52 ASN HD22 H 1 7.916 0.003 A 52 ASN C C 13 179.258 0.1 A 52 ASN CA C 13 56.715 0.014 A 52 ASN CB C 13 39.860 0.019 A 52 ASN N N 15 121.013 0.019 A 52 ASN ND2 N 15 107.617 0.026 A 53 LYS H H 1 7.905 0.009 A 53 LYS HA H 1 3.717 0.009 A 53 LYS HB2 H 1 1.315 0.006 A 53 LYS HB3 H 1 0.412 0.007 A 53 LYS HD2 H 1 1.630 0.008 A 53 LYS HD3 H 1 1.630 0.008 A 53 LYS HE2 H 1 3.013 0.01 A 53 LYS HE3 H 1 3.013 0.01 A 53 LYS HG2 H 1 1.460 0.006 A 53 LYS HG3 H 1 1.460 0.006 A 53 LYS C C 13 177.923 0.1 A 53 LYS CA C 13 59.444 0.032 A 53 LYS CB C 13 31.307 0.027 A 53 LYS CD C 13 28.676 0.044 A 53 LYS CG C 13 26.765 0.041 A 53 LYS N N 15 121.952 0.015 A 54 MET H H 1 7.831 0.008 A 54 MET HA H 1 3.961 0.008 A 54 MET HB2 H 1 1.712 0.011 A 54 MET HB3 H 1 2.426 0.015 A 54 MET HE% H 1 1.997 0.004 A 54 MET HGx H 1 2.607 0.002 A 54 MET HGy H 1 3.009 0.003 A 54 MET C C 13 174.638 0.1 A 54 MET CA C 13 57.084 0.028 A 54 MET CB C 13 35.617 0.033 A 54 MET CE C 13 18.446 0.084 A 54 MET CG C 13 34.567 0.042 A 54 MET N N 15 114.285 0.038 A 55 GLN H H 1 7.852 0.004 A 55 GLN HA H 1 4.021 0.004 A 55 GLN HB2 H 1 2.664 0.01 A 55 GLN HB3 H 1 2.353 0.009 A 55 GLN HE21 H 1 7.560 0.006 A 55 GLN HE22 H 1 6.671 0.003 A 55 GLN HGx H 1 2.179 0.005 A 55 GLN HGy H 1 2.328 0.006 A 55 GLN C C 13 173.946 0.1 A 55 GLN CA C 13 57.177 0.035 A 55 GLN CB C 13 26.555 0.021 A 55 GLN CG C 13 34.724 0.021 A 55 GLN N N 15 112.952 0.028 A 55 GLN NE2 N 15 111.544 0.044 A 56 LEU H H 1 8.323 0.007 A 56 LEU HA H 1 4.507 0.006 A 56 LEU HB2 H 1 1.070 0.005 A 56 LEU HB3 H 1 1.278 0.016 A 56 LEU HD1% H 1 0.515 0.004 A 56 LEU HD2% H 1 0.615 0.014 A 56 LEU HG H 1 1.584 0.005 A 56 LEU C C 13 176.236 0.1 A 56 LEU CA C 13 54.315 0.067 A 56 LEU CB C 13 42.340 0.063 A 56 LEU CD1 C 13 25.396 0.053 A 56 LEU CD2 C 13 21.717 0.054 A 56 LEU N N 15 111.354 0.031 A 57 PHE H H 1 7.034 0.004 A 57 PHE HA H 1 4.412 0.006 A 57 PHE HB2 H 1 2.948 0.009 A 57 PHE HB3 H 1 2.539 0.009 A 57 PHE HD1 H 1 6.722 0.007 A 57 PHE HD2 H 1 6.722 0.007 A 57 PHE HE1 H 1 7.052 .01 A 57 PHE HE2 H 1 7.052 .01 A 57 PHE HZ H 1 7.248 0.014 A 57 PHE C C 13 172.110 0.1 A 57 PHE CA C 13 57.637 0.034 A 57 PHE CB C 13 45.054 0.059 A 57 PHE N N 15 118.384 0.019 A 58 ASP H H 1 7.888 0.006 A 58 ASP HA H 1 4.792 .01 A 58 ASP HBx H 1 2.286 0.01 A 58 ASP HBy H 1 2.407 0.005 A 58 ASP C C 13 173.949 0.1 A 58 ASP CA C 13 52.115 0.029 A 58 ASP CB C 13 47.224 0.017 A 58 ASP N N 15 132.851 0.027 A 59 ASP H H 1 8.643 0.007 A 59 ASP HA H 1 4.238 0.004 A 59 ASP HB2 H 1 2.670 0.007 A 59 ASP HB3 H 1 2.670 0.007 A 59 ASP C C 13 175.648 0.1 A 59 ASP CA C 13 57.468 0.027 A 59 ASP CB C 13 39.534 0.025 A 59 ASP N N 15 124.990 0.046 A 60 THR H H 1 8.151 0.004 A 60 THR HA H 1 4.480 0.009 A 60 THR HB H 1 4.169 0.008 A 60 THR HG2% H 1 1.221 0.006 A 60 THR C C 13 175.708 0.1 A 60 THR CA C 13 64.648 0.04 A 60 THR CB C 13 69.204 0.029 A 60 THR CG2 C 13 21.758 0.034 A 60 THR N N 15 112.253 0.016 A 61 GLU H H 1 9.140 0.008 A 61 GLU HA H 1 4.228 0.009 A 61 GLU HBx H 1 1.591 0.005 A 61 GLU HBy H 1 1.931 0.011 A 61 GLU HGx H 1 2.094 0.007 A 61 GLU HGy H 1 2.215 0.011 A 61 GLU C C 13 176.605 0.1 A 61 GLU CA C 13 57.051 0.055 A 61 GLU CB C 13 30.602 0.027 A 61 GLU CG C 13 36.047 0.035 A 61 GLU N N 15 120.924 0.016 A 62 GLY H H 1 8.238 0.012 A 62 GLY HAx H 1 1.194 0.014 A 62 GLY HAy H 1 3.203 0.014 A 62 GLY CA C 13 42.894 0.025 A 62 GLY N N 15 112.358 0.016 A 63 PRO HA H 1 4.259 0.005 A 63 PRO HBx H 1 1.517 0.005 A 63 PRO HBy H 1 2.111 0.006 A 63 PRO HDx H 1 2.790 0.004 A 63 PRO HDy H 1 3.579 0.004 A 63 PRO HGx H 1 2.071 0.004 A 63 PRO HGy H 1 2.136 0.01 A 63 PRO C C 13 176.108 0.1 A 63 PRO CA C 13 62.832 0.011 A 63 PRO CB C 13 32.053 0.04 A 63 PRO CD C 13 49.394 0.063 A 63 PRO CG C 13 28.262 0.059 A 64 LEU H H 1 7.738 0.008 A 64 LEU HA H 1 4.335 0.007 A 64 LEU HB2 H 1 1.518 0.009 A 64 LEU HB3 H 1 1.388 0.006 A 64 LEU HD1% H 1 0.559 0.007 A 64 LEU HD2% H 1 0.554 0.005 A 64 LEU HG H 1 1.229 0.006 A 64 LEU C C 13 175.977 0.1 A 64 LEU CA C 13 52.865 0.024 A 64 LEU CB C 13 38.646 0.034 A 64 LEU CD1 C 13 25.305 0.055 A 64 LEU CD2 C 13 22.675 0.044 A 64 LEU CG C 13 25.794 0.018 A 64 LEU N N 15 126.293 0.028 A 65 VAL H H 1 7.636 0.005 A 65 VAL HA H 1 3.148 0.005 A 65 VAL HB H 1 1.903 0.006 A 65 VAL HG1% H 1 0.775 0.002 A 65 VAL HG2% H 1 0.882 0.008 A 65 VAL C C 13 176.418 0.1 A 65 VAL CA C 13 68.078 0.039 A 65 VAL CB C 13 31.882 0.016 A 65 VAL CG1 C 13 20.723 0.06 A 65 VAL CG2 C 13 23.026 0.081 A 65 VAL N N 15 123.197 0.017 A 66 ASP H H 1 8.405 0.01 A 66 ASP HA H 1 4.116 0.003 A 66 ASP HBx H 1 2.497 0.021 A 66 ASP HBy H 1 2.524 0.014 A 66 ASP C C 13 178.495 0.1 A 66 ASP CA C 13 58.037 0.013 A 66 ASP CB C 13 39.524 0.021 A 66 ASP N N 15 117.841 0.032 A 67 ASN H H 1 7.359 0.01 A 67 ASN HA H 1 3.437 0.012 A 67 ASN HB2 H 1 2.614 0.008 A 67 ASN HB3 H 1 1.976 0.01 A 67 ASN HD21 H 1 7.065 0.015 A 67 ASN HD22 H 1 8.181 0.006 A 67 ASN CA C 13 55.076 0.017 A 67 ASN CB C 13 36.387 0.02 A 67 ASN N N 15 121.139 0.031 A 67 ASN ND2 N 15 110.014 0.021 A 68 LEU H H 1 8.335 0.011 A 68 LEU HA H 1 3.573 0.004 A 68 LEU HB2 H 1 2.068 0.013 A 68 LEU HB3 H 1 0.846 0.008 A 68 LEU HD1% H 1 0.657 0.008 A 68 LEU HD2% H 1 0.653 0.007 A 68 LEU HG H 1 1.533 0.006 A 68 LEU C C 13 178.284 0.1 A 68 LEU CA C 13 58.636 0.037 A 68 LEU CB C 13 42.644 0.041 A 68 LEU CD1 C 13 26.533 0.039 A 68 LEU CD2 C 13 26.484 0.039 A 68 LEU CG C 13 27.496 0.042 A 68 LEU N N 15 121.183 0.019 A 69 VAL H H 1 8.347 0.008 A 69 VAL HA H 1 3.265 0.008 A 69 VAL HB H 1 2.032 0.007 A 69 VAL HG1% H 1 0.885 0.009 A 69 VAL HG2% H 1 0.847 0.011 A 69 VAL C C 13 177.272 0.1 A 69 VAL CA C 13 67.281 0.011 A 69 VAL CB C 13 31.249 0.019 A 69 VAL CG1 C 13 21.918 0.015 A 69 VAL CG2 C 13 23.309 0.016 A 69 VAL N N 15 117.927 0.012 A 70 HIS H H 1 7.736 0.007 A 70 HIS HA H 1 4.390 0.008 A 70 HIS HBx H 1 3.118 0.017 A 70 HIS HBy H 1 3.146 0.011 A 70 HIS HD2 H 1 7.050 0.007 A 70 HIS HE1 H 1 8.235 .01 A 70 HIS C C 13 177.773 0.1 A 70 HIS CA C 13 58.742 0.121 A 70 HIS CB C 13 29.829 0.03 A 70 HIS CD2 C 13 119.431 0.143 A 70 HIS N N 15 117.924 0.141 A 71 GLN H H 1 8.636 0.009 A 71 GLN HA H 1 4.212 0.014 A 71 GLN HB2 H 1 2.675 0.011 A 71 GLN HB3 H 1 2.131 0.006 A 71 GLN HE21 H 1 6.484 0.005 A 71 GLN HE22 H 1 7.496 0.009 A 71 GLN HGy H 1 2.303 0.005 A 71 GLN HGx H 1 2.131 0.009 A 71 GLN C C 13 177.068 0.1 A 71 GLN CA C 13 58.555 0.063 A 71 GLN CB C 13 28.482 0.043 A 71 GLN CG C 13 32.958 0.056 A 71 GLN N N 15 118.119 0.062 A 71 GLN NE2 N 15 109.784 0.03 A 72 LEU H H 1 8.179 0.007 A 72 LEU HA H 1 4.251 0.007 A 72 LEU HB2 H 1 1.833 0.006 A 72 LEU HB3 H 1 1.299 0.009 A 72 LEU HD1% H 1 0.418 0.004 A 72 LEU HD2% H 1 0.993 0.007 A 72 LEU HG H 1 1.643 0.005 A 72 LEU C C 13 178.105 0.1 A 72 LEU CA C 13 56.727 0.046 A 72 LEU CB C 13 45.188 0.034 A 72 LEU CD1 C 13 26.809 0.05 A 72 LEU CD2 C 13 23.707 0.04 A 72 LEU CG C 13 27.694 0.067 A 72 LEU N N 15 114.666 0.036 A 73 ALA H H 1 8.628 0.006 A 73 ALA HA H 1 4.406 0.022 A 73 ALA HB% H 1 1.401 0.013 A 73 ALA C C 13 177.240 0.1 A 73 ALA CA C 13 52.963 0.052 A 73 ALA CB C 13 18.590 0.085 A 73 ALA N N 15 119.668 0.015 A 74 HIS H H 1 8.257 0.012 A 74 HIS HA H 1 4.497 0.012 A 74 HIS HBx H 1 3.222 0.009 A 74 HIS HBy H 1 3.429 0.017 A 74 HIS HD2 H 1 7.337 0.008 A 74 HIS C C 13 175.701 0.1 A 74 HIS CA C 13 56.215 0.19 A 74 HIS CB C 13 28.131 0.025 A 74 HIS CD2 C 13 120.138 0.103 A 74 HIS N N 15 118.240 0.039 A 75 GLY H H 1 8.842 0.007 A 75 GLY HAx H 1 3.684 0.004 A 75 GLY HAy H 1 4.125 0.004 A 75 GLY C C 13 174.092 0.1 A 75 GLY CA C 13 45.692 0.02 A 75 GLY N N 15 109.590 0.164 A 76 ARG H H 1 7.790 0.006 A 76 ARG HA H 1 4.487 0.01 A 76 ARG HB2 H 1 1.671 0.012 A 76 ARG HB3 H 1 1.868 0.008 A 76 ARG HD2 H 1 3.200 0.003 A 76 ARG HD3 H 1 3.200 0.003 A 76 ARG HE H 1 7.356 0.003 A 76 ARG HGx H 1 1.573 0.011 A 76 ARG HGy H 1 1.595 0.005 A 76 ARG C C 13 174.745 0.1 A 76 ARG CA C 13 54.914 0.049 A 76 ARG CB C 13 31.849 0.035 A 76 ARG CD C 13 43.164 0.027 A 76 ARG CG C 13 27.036 0.034 A 76 ARG N N 15 120.149 0.116 A 76 ARG NE N 15 84.694 0.037 A 77 ASP H H 1 8.423 0.008 A 77 ASP HA H 1 4.520 0.007 A 77 ASP HBx H 1 2.682 0.014 A 77 ASP HBy H 1 2.773 0.027 A 77 ASP C C 13 176.588 0.1 A 77 ASP CA C 13 54.567 0.038 A 77 ASP CB C 13 41.211 0.018 A 77 ASP N N 15 120.309 0.023 A 78 ALA H H 1 8.266 0.007 A 78 ALA HA H 1 3.931 0.005 A 78 ALA HB% H 1 1.321 0.007 A 78 ALA C C 13 178.949 0.1 A 78 ALA CA C 13 54.695 0.038 A 78 ALA CB C 13 18.967 0.022 A 78 ALA N N 15 126.337 0.019 A 79 GLU H H 1 8.505 0.005 A 79 GLU HA H 1 4.068 0.006 A 79 GLU HB2 H 1 2.084 0.008 A 79 GLU HB3 H 1 2.084 0.008 A 79 GLU HGx H 1 2.316 0.004 A 79 GLU HGy H 1 2.334 0.011 A 79 GLU C C 13 178.976 0.1 A 79 GLU CA C 13 59.352 0.043 A 79 GLU CB C 13 28.932 0.033 A 79 GLU CG C 13 36.131 0.044 A 79 GLU N N 15 119.478 0.062 A 80 GLU H H 1 8.327 0.006 A 80 GLU HA H 1 4.138 0.007 A 80 GLU HB2 H 1 2.133 0.007 A 80 GLU HB3 H 1 2.133 0.007 A 80 GLU HGy H 1 2.394 0.006 A 80 GLU HGx H 1 2.277 0.011 A 80 GLU C C 13 179.322 0.1 A 80 GLU CA C 13 59.309 0.044 A 80 GLU CB C 13 29.301 0.013 A 80 GLU CG C 13 36.387 0.025 A 80 GLU N N 15 120.759 0.037 A 81 VAL H H 1 7.630 0.007 A 81 VAL HA H 1 3.614 0.005 A 81 VAL HB H 1 2.124 0.006 A 81 VAL HG1% H 1 0.928 0.011 A 81 VAL HG2% H 1 1.022 0.006 A 81 VAL C C 13 177.399 0.1 A 81 VAL CA C 13 66.541 0.047 A 81 VAL CB C 13 31.692 0.034 A 81 VAL CG1 C 13 23.310 0.012 A 81 VAL CG2 C 13 23.335 0.007 A 81 VAL N N 15 119.028 0.013 A 82 ARG H H 1 8.579 0.008 A 82 ARG HA H 1 3.478 0.005 A 82 ARG HB2 H 1 1.830 0.014 A 82 ARG HB3 H 1 1.991 0.013 A 82 ARG HDy H 1 3.346 0.004 A 82 ARG HDx H 1 3.142 0.004 A 82 ARG HE H 1 7.772 0.007 A 82 ARG HGx H 1 1.215 0.004 A 82 ARG HGy H 1 1.510 0.004 A 82 ARG C C 13 177.582 0.1 A 82 ARG CA C 13 60.774 0.023 A 82 ARG CB C 13 29.995 0.026 A 82 ARG CD C 13 42.596 0.031 A 82 ARG CG C 13 27.537 0.03 A 82 ARG N N 15 120.986 0.015 A 82 ARG NE N 15 83.666 0.02 A 83 THR H H 1 8.104 0.006 A 83 THR HA H 1 3.806 0.008 A 83 THR HB H 1 4.362 0.008 A 83 THR HG2% H 1 1.253 0.004 A 83 THR C C 13 176.644 0.1 A 83 THR CA C 13 67.009 0.049 A 83 THR CB C 13 68.838 0.026 A 83 THR CG2 C 13 21.953 0.025 A 83 THR N N 15 114.082 0.016 A 84 GLU H H 1 7.536 0.004 A 84 GLU HA H 1 4.026 0.004 A 84 GLU HB2 H 1 2.255 0.005 A 84 GLU HB3 H 1 2.255 0.005 A 84 GLU HGx H 1 2.446 0.01 A 84 GLU HGy H 1 2.483 0.011 A 84 GLU C C 13 179.542 0.1 A 84 GLU CA C 13 58.959 0.048 A 84 GLU CB C 13 29.541 0.028 A 84 GLU CG C 13 35.893 0.021 A 84 GLU N N 15 119.575 0.024 A 85 VAL H H 1 8.657 0.007 A 85 VAL HA H 1 3.404 0.008 A 85 VAL HB H 1 2.105 0.008 A 85 VAL HG1% H 1 0.667 0.012 A 85 VAL HG2% H 1 0.571 0.014 A 85 VAL C C 13 178.614 0.1 A 85 VAL CA C 13 67.002 0.015 A 85 VAL CB C 13 31.964 0.063 A 85 VAL CG1 C 13 22.694 0.016 A 85 VAL CG2 C 13 23.859 0.048 A 85 VAL N N 15 121.430 0.023 A 86 LEU H H 1 8.535 0.009 A 86 LEU HA H 1 3.946 0.008 A 86 LEU HB2 H 1 1.926 0.009 A 86 LEU HB3 H 1 1.497 0.005 A 86 LEU HD1% H 1 0.886 0.011 A 86 LEU HD2% H 1 0.914 0.009 A 86 LEU HG H 1 1.774 0.007 A 86 LEU C C 13 179.930 0.1 A 86 LEU CA C 13 58.087 0.024 A 86 LEU CB C 13 41.675 0.013 A 86 LEU CD1 C 13 25.828 0.016 A 86 LEU CD2 C 13 22.932 0.057 A 86 LEU CG C 13 27.284 0.015 A 86 LEU N N 15 117.733 0.026 A 87 LYS H H 1 7.361 0.007 A 87 LYS HA H 1 4.167 0.005 A 87 LYS HB2 H 1 1.986 0.007 A 87 LYS HB3 H 1 1.986 0.007 A 87 LYS HD2 H 1 1.724 0.011 A 87 LYS HD3 H 1 1.724 0.011 A 87 LYS HGy H 1 1.864 0.004 A 87 LYS HGx H 1 1.488 0.003 A 87 LYS C C 13 178.275 0.1 A 87 LYS CA C 13 59.380 0.028 A 87 LYS CB C 13 33.275 0.038 A 87 LYS CD C 13 29.736 0.1 A 87 LYS CE C 13 42.209 0.1 A 87 LYS CG C 13 25.970 0.061 A 87 LYS N N 15 117.215 0.029 A 88 CYS H H 1 8.038 0.006 A 88 CYS HA H 1 5.197 0.006 A 88 CYS HB2 H 1 2.803 0.005 A 88 CYS HB3 H 1 3.716 0.006 A 88 CYS C C 13 175.140 0.1 A 88 CYS CA C 13 52.684 0.055 A 88 CYS CB C 13 40.339 0.044 A 88 CYS N N 15 114.268 0.035 A 89 VAL H H 1 7.505 0.006 A 89 VAL HA H 1 3.900 0.01 A 89 VAL HB H 1 2.222 0.006 A 89 VAL HG1% H 1 0.992 0.011 A 89 VAL HG2% H 1 0.964 0.008 A 89 VAL C C 13 173.654 0.1 A 89 VAL CA C 13 64.493 0.059 A 89 VAL CB C 13 31.851 0.021 A 89 VAL CG1 C 13 21.855 0.044 A 89 VAL CG2 C 13 22.766 0.057 A 89 VAL N N 15 125.093 0.044 A 90 ASP H H 1 8.374 0.016 A 90 ASP HA H 1 4.901 0.003 A 90 ASP HB2 H 1 3.213 0.011 A 90 ASP HB3 H 1 2.911 0.007 A 90 ASP C C 13 176.595 0.1 A 90 ASP CA C 13 51.838 0.049 A 90 ASP CB C 13 42.730 0.019 A 90 ASP N N 15 129.266 0.025 A 91 LYS H H 1 8.325 0.006 A 91 LYS HA H 1 4.561 0.005 A 91 LYS HBx H 1 1.597 0.021 A 91 LYS HBy H 1 1.671 0.017 A 91 LYS HE2 H 1 2.993 0.007 A 91 LYS HE3 H 1 2.993 0.007 A 91 LYS HGx H 1 1.439 0.011 A 91 LYS HGy H 1 1.472 0.01 A 91 LYS C C 13 175.258 0.1 A 91 LYS CA C 13 55.182 0.06 A 91 LYS CB C 13 33.481 0.019 A 91 LYS CD C 13 28.502 0.1 A 91 LYS CE C 13 42.025 0.1 A 91 LYS CG C 13 25.312 0.03 A 91 LYS N N 15 119.285 0.016 A 92 ASN H H 1 7.783 0.007 A 92 ASN HA H 1 3.141 0.01 A 92 ASN HB2 H 1 0.064 0.038 A 92 ASN HB3 H 1 2.340 0.005 A 92 ASN HD21 H 1 6.230 0.005 A 92 ASN HD22 H 1 7.408 0.004 A 92 ASN C C 13 177.622 0.1 A 92 ASN CA C 13 50.707 0.058 A 92 ASN CB C 13 34.719 0.027 A 92 ASN N N 15 117.305 0.031 A 92 ASN ND2 N 15 107.437 0.077 A 93 THR H H 1 7.885 0.006 A 93 THR HA H 1 3.715 0.006 A 93 THR HB H 1 4.080 0.009 A 93 THR HG2% H 1 1.136 0.003 A 93 THR C C 13 175.593 0.1 A 93 THR CA C 13 65.000 0.017 A 93 THR CB C 13 68.783 0.019 A 93 THR CG2 C 13 22.337 0.019 A 93 THR N N 15 116.106 0.019 A 94 ASP H H 1 8.077 0.006 A 94 ASP HA H 1 4.845 .01 A 94 ASP HBx H 1 2.544 0.003 A 94 ASP HBy H 1 3.118 0.007 A 94 ASP C C 13 175.373 0.1 A 94 ASP CA C 13 51.770 0.031 A 94 ASP CB C 13 40.306 0.035 A 94 ASP N N 15 118.396 0.02 A 95 ASN H H 1 7.439 0.015 A 95 ASN HA H 1 4.006 0.005 A 95 ASN HBx H 1 2.607 0.004 A 95 ASN HBy H 1 2.979 0.005 A 95 ASN HD21 H 1 7.523 0.024 A 95 ASN HD22 H 1 6.773 0.008 A 95 ASN C C 13 173.361 0.1 A 95 ASN CA C 13 54.465 0.032 A 95 ASN CB C 13 37.255 0.011 A 95 ASN N N 15 114.606 0.069 A 95 ASN ND2 N 15 112.627 0.14 A 96 ASN H H 1 7.740 0.006 A 96 ASN HA H 1 4.693 0.007 A 96 ASN HB2 H 1 2.237 0.009 A 96 ASN HB3 H 1 2.742 0.006 A 96 ASN HD21 H 1 7.457 0.004 A 96 ASN HD22 H 1 6.941 0.007 A 96 ASN C C 13 174.878 0.1 A 96 ASN CA C 13 52.929 0.058 A 96 ASN CB C 13 38.826 0.029 A 96 ASN N N 15 116.148 0.023 A 96 ASN ND2 N 15 114.448 0.019 A 97 ALA H H 1 9.269 0.004 A 97 ALA HA H 1 4.681 0.006 A 97 ALA HB% H 1 1.856 0.005 A 97 ALA C C 13 179.269 0.1 A 97 ALA CA C 13 55.563 0.026 A 97 ALA CB C 13 18.612 0.028 A 97 ALA N N 15 128.430 0.02 A 98 CYS H H 1 8.197 0.005 A 98 CYS HA H 1 4.138 0.004 A 98 CYS HB2 H 1 3.825 0.007 A 98 CYS HB3 H 1 2.376 0.005 A 98 CYS C C 13 175.507 0.1 A 98 CYS CA C 13 60.136 0.061 A 98 CYS CB C 13 41.509 0.015 A 98 CYS N N 15 113.881 0.02 A 99 HIS H H 1 7.865 0.009 A 99 HIS HA H 1 4.774 0.01 A 99 HIS HBx H 1 3.346 0.004 A 99 HIS HBy H 1 3.896 0.015 A 99 HIS HD2 H 1 6.909 0.004 A 99 HIS HE1 H 1 8.458 0.002 A 99 HIS C C 13 177.169 0.1 A 99 HIS CA C 13 56.742 0.021 A 99 HIS CB C 13 28.435 0.028 A 99 HIS CD2 C 13 119.630 0.189 A 99 HIS CE1 C 13 136.476 0.1 A 99 HIS N N 15 118.575 0.052 A 100 TRP H H 1 8.730 0.011 A 100 TRP HA H 1 4.707 0.006 A 100 TRP HB2 H 1 3.450 0.006 A 100 TRP HB3 H 1 3.854 0.009 A 100 TRP HD1 H 1 7.473 0.013 A 100 TRP HE1 H 1 9.709 0.007 A 100 TRP HE3 H 1 7.459 0.021 A 100 TRP HH2 H 1 6.972 0.011 A 100 TRP HZ2 H 1 7.713 0.006 A 100 TRP HZ3 H 1 6.954 0.006 A 100 TRP C C 13 179.120 0.1 A 100 TRP CA C 13 57.808 0.034 A 100 TRP CB C 13 31.557 0.032 A 100 TRP CD1 C 13 126.156 0.016 A 100 TRP CE3 C 13 121.180 0.056 A 100 TRP CH2 C 13 125.733 0.053 A 100 TRP CZ2 C 13 114.165 0.059 A 100 TRP CZ3 C 13 122.507 0.002 A 100 TRP N N 15 121.118 0.026 A 100 TRP NE1 N 15 128.998 0.018 A 101 ALA H H 1 7.924 0.008 A 101 ALA HA H 1 3.302 0.005 A 101 ALA HB% H 1 0.150 0.005 A 101 ALA C C 13 179.706 0.1 A 101 ALA CA C 13 54.704 0.023 A 101 ALA CB C 13 15.807 0.019 A 101 ALA N N 15 120.858 0.035 A 102 PHE H H 1 7.912 0.005 A 102 PHE HA H 1 3.906 0.006 A 102 PHE HB2 H 1 2.925 0.01 A 102 PHE HB3 H 1 3.144 0.013 A 102 PHE HD1 H 1 7.085 0.016 A 102 PHE HD2 H 1 7.085 0.016 A 102 PHE HE1 H 1 7.208 0.005 A 102 PHE HE2 H 1 7.208 0.005 A 102 PHE HZ H 1 7.478 0.008 A 102 PHE C C 13 176.044 0.1 A 102 PHE CA C 13 62.095 0.025 A 102 PHE CB C 13 40.164 0.016 A 102 PHE CD1 C 13 131.986 0.1 A 102 PHE CD2 C 13 131.986 0.1 A 102 PHE CE1 C 13 131.314 0.1 A 102 PHE CE2 C 13 131.314 0.1 A 102 PHE CZ C 13 130.236 0.073 A 102 PHE N N 15 116.450 0.021 A 103 ARG H H 1 8.844 0.005 A 103 ARG HA H 1 4.033 0.005 A 103 ARG HBx H 1 2.162 0.024 A 103 ARG HBy H 1 2.196 0.016 A 103 ARG HDx H 1 3.356 0.012 A 103 ARG HDy H 1 3.402 0.008 A 103 ARG HE H 1 9.414 0.025 A 103 ARG HGy H 1 2.008 0.038 A 103 ARG HGx H 1 1.648 0.005 A 103 ARG HH12 H 1 6.591 .01 A 103 ARG HH21 H 1 6.591 .01 A 103 ARG C C 13 180.216 0.1 A 103 ARG CA C 13 60.817 0.02 A 103 ARG CB C 13 30.650 0.07 A 103 ARG CD C 13 43.513 0.031 A 103 ARG CG C 13 28.788 0.07 A 103 ARG N N 15 119.732 0.031 A 103 ARG NE N 15 87.035 0.05 A 104 GLY H H 1 7.571 0.004 A 104 GLY HAx H 1 3.973 0.01 A 104 GLY HAy H 1 4.334 0.005 A 104 GLY C C 13 175.325 0.1 A 104 GLY CA C 13 48.040 0.094 A 104 GLY N N 15 105.715 0.034 A 105 PHE H H 1 7.416 0.005 A 105 PHE HA H 1 4.378 0.006 A 105 PHE HB2 H 1 3.065 0.009 A 105 PHE HB3 H 1 2.888 0.009 A 105 PHE HD1 H 1 6.823 0.019 A 105 PHE HD2 H 1 6.823 0.019 A 105 PHE HE1 H 1 6.701 0.009 A 105 PHE HE2 H 1 6.701 0.009 A 105 PHE C C 13 176.283 0.1 A 105 PHE CA C 13 60.580 0.082 A 105 PHE CB C 13 39.023 0.033 A 105 PHE CD1 C 13 131.254 0.1 A 105 PHE CD2 C 13 131.254 0.1 A 105 PHE CE1 C 13 130.241 0.1 A 105 PHE CE2 C 13 130.241 0.1 A 105 PHE N N 15 121.868 0.022 A 106 LYS H H 1 8.846 0.005 A 106 LYS HA H 1 3.382 0.004 A 106 LYS HBx H 1 1.421 0.007 A 106 LYS HBy H 1 1.644 0.004 A 106 LYS HD2 H 1 1.642 0.006 A 106 LYS HD3 H 1 1.642 0.005 A 106 LYS HE2 H 1 2.995 0.005 A 106 LYS HE3 H 1 2.995 0.005 A 106 LYS HGx H 1 1.090 0.004 A 106 LYS HGy H 1 1.263 0.007 A 106 LYS C C 13 178.687 0.1 A 106 LYS CA C 13 58.878 0.029 A 106 LYS CB C 13 31.874 0.029 A 106 LYS CD C 13 28.963 0.065 A 106 LYS CG C 13 24.542 0.013 A 106 LYS N N 15 120.136 0.026 A 107 CYS H H 1 8.015 0.005 A 107 CYS HA H 1 4.241 0.004 A 107 CYS HB2 H 1 3.369 0.006 A 107 CYS HB3 H 1 3.613 0.018 A 107 CYS C C 13 176.486 0.1 A 107 CYS CA C 13 59.427 0.023 A 107 CYS CB C 13 36.552 0.011 A 107 CYS N N 15 117.495 0.031 A 108 PHE H H 1 8.606 0.011 A 108 PHE HA H 1 4.240 0.004 A 108 PHE HB2 H 1 3.264 0.011 A 108 PHE HB3 H 1 2.948 0.003 A 108 PHE HD1 H 1 7.020 0.019 A 108 PHE HD2 H 1 7.020 0.019 A 108 PHE HE1 H 1 7.037 0.019 A 108 PHE HE2 H 1 7.037 0.019 A 108 PHE HZ H 1 6.978 0.015 A 108 PHE C C 13 177.451 0.1 A 108 PHE CA C 13 62.245 0.027 A 108 PHE CB C 13 41.804 0.053 A 108 PHE CD1 C 13 131.579 0.063 A 108 PHE CD2 C 13 131.579 0.063 A 108 PHE CE1 C 13 132.042 0.1 A 108 PHE CE2 C 13 132.042 0.1 A 108 PHE CZ C 13 129.015 0.017 A 108 PHE N N 15 123.179 0.046 A 109 GLN H H 1 8.668 0.006 A 109 GLN HA H 1 3.610 0.005 A 109 GLN HBy H 1 2.058 0.007 A 109 GLN HBx H 1 1.635 0.007 A 109 GLN HE21 H 1 6.479 0.005 A 109 GLN HE22 H 1 6.075 0.005 A 109 GLN HGy H 1 2.218 0.005 A 109 GLN HGx H 1 1.815 0.004 A 109 GLN C C 13 175.569 0.1 A 109 GLN CA C 13 57.965 0.018 A 109 GLN CB C 13 28.616 0.025 A 109 GLN CG C 13 33.697 0.023 A 109 GLN N N 15 116.099 0.024 A 109 GLN NE2 N 15 108.312 0.024 A 110 LYS H H 1 6.972 0.007 A 110 LYS HA H 1 3.890 0.005 A 110 LYS HBx H 1 1.848 0.018 A 110 LYS HBy H 1 1.891 0.028 A 110 LYS HE2 H 1 3.005 0.004 A 110 LYS HE3 H 1 3.005 0.004 A 110 LYS HGx H 1 1.404 0.008 A 110 LYS HGy H 1 1.522 0.005 A 110 LYS C C 13 177.405 0.1 A 110 LYS CA C 13 59.918 0.042 A 110 LYS CB C 13 32.081 0.042 A 110 LYS CD C 13 28.897 0.1 A 110 LYS CG C 13 24.510 0.026 A 110 LYS N N 15 118.717 0.018 A 111 ASN H H 1 7.395 0.011 A 111 ASN HA H 1 5.077 0.005 A 111 ASN HB2 H 1 2.527 0.005 A 111 ASN HB3 H 1 2.765 0.009 A 111 ASN HD21 H 1 6.921 0.006 A 111 ASN HD22 H 1 7.822 0.005 A 111 ASN C C 13 176.147 0.1 A 111 ASN CA C 13 52.917 0.032 A 111 ASN CB C 13 40.847 0.017 A 111 ASN N N 15 109.757 0.041 A 111 ASN ND2 N 15 114.375 0.035 A 112 ASN H H 1 7.321 0.007 A 112 ASN HA H 1 5.159 0.005 A 112 ASN HB2 H 1 1.445 0.014 A 112 ASN HB3 H 1 2.301 0.014 A 112 ASN HD21 H 1 7.205 0.004 A 112 ASN HD22 H 1 6.167 0.005 A 112 ASN C C 13 175.141 0.1 A 112 ASN CA C 13 52.908 0.033 A 112 ASN CB C 13 40.508 0.034 A 112 ASN N N 15 115.375 0.03 A 112 ASN ND2 N 15 117.080 0.017 A 113 LEU H H 1 7.922 0.013 A 113 LEU HA H 1 3.959 0.006 A 113 LEU HB2 H 1 1.981 0.009 A 113 LEU HB3 H 1 1.807 0.005 A 113 LEU HD1% H 1 0.908 0.007 A 113 LEU HD2% H 1 0.914 0.009 A 113 LEU HG H 1 1.377 0.004 A 113 LEU C C 13 178.358 0.1 A 113 LEU CA C 13 59.328 0.055 A 113 LEU CB C 13 40.948 0.025 A 113 LEU CD1 C 13 23.365 0.035 A 113 LEU CD2 C 13 25.643 0.032 A 113 LEU CG C 13 26.748 0.057 A 113 LEU N N 15 122.931 0.04 A 114 SER H H 1 8.844 0.007 A 114 SER HA H 1 3.962 0.005 A 114 SER HB2 H 1 3.849 0.005 A 114 SER HB3 H 1 3.849 0.005 A 114 SER C C 13 176.868 0.1 A 114 SER CA C 13 61.968 0.032 A 114 SER CB C 13 61.936 0.011 A 114 SER N N 15 112.274 0.017 A 115 LEU H H 1 7.288 0.006 A 115 LEU HA H 1 4.206 0.004 A 115 LEU HBx H 1 1.863 0.017 A 115 LEU HBy H 1 1.877 0.019 A 115 LEU HD1% H 1 1.025 0.004 A 115 LEU HD2% H 1 1.037 0.008 A 115 LEU C C 13 179.646 0.1 A 115 LEU CA C 13 57.756 0.016 A 115 LEU CB C 13 42.802 0.04 A 115 LEU CD1 C 13 24.093 0.042 A 115 LEU CD2 C 13 25.782 0.035 A 115 LEU N N 15 123.548 0.024 A 116 ILE H H 1 7.717 0.006 A 116 ILE HA H 1 3.497 0.005 A 116 ILE HB H 1 2.224 0.004 A 116 ILE HD1% H 1 1.149 0.004 A 116 ILE HG1x H 1 1.146 0.004 A 116 ILE HG1y H 1 2.099 0.01 A 116 ILE HG2% H 1 1.151 0.004 A 116 ILE C C 13 179.314 0.1 A 116 ILE CA C 13 66.063 0.032 A 116 ILE CB C 13 39.019 0.035 A 116 ILE CD1 C 13 15.219 0.05 A 116 ILE CG1 C 13 27.658 0.026 A 116 ILE CG2 C 13 18.571 0.034 A 116 ILE N N 15 118.889 0.015 A 117 LYS H H 1 8.044 0.009 A 117 LYS HA H 1 3.786 0.007 A 117 LYS HBx H 1 1.652 0.012 A 117 LYS HBy H 1 1.699 0.03 A 117 LYS HD2 H 1 1.216 0.007 A 117 LYS HD3 H 1 1.216 0.007 A 117 LYS HEx H 1 1.944 0.004 A 117 LYS HEy H 1 2.110 0.006 A 117 LYS HGx H 1 0.635 0.005 A 117 LYS HGy H 1 1.113 0.006 A 117 LYS C C 13 178.805 0.1 A 117 LYS CA C 13 60.099 0.028 A 117 LYS CB C 13 32.506 0.037 A 117 LYS CD C 13 29.451 0.032 A 117 LYS CE C 13 41.136 0.023 A 117 LYS CG C 13 25.579 0.052 A 117 LYS N N 15 117.321 0.017 A 118 ALA H H 1 7.971 0.009 A 118 ALA HA H 1 4.179 0.006 A 118 ALA HB% H 1 1.501 0.004 A 118 ALA C C 13 180.107 0.1 A 118 ALA CA C 13 54.060 0.013 A 118 ALA CB C 13 18.466 0.068 A 118 ALA N N 15 118.861 0.109 A 119 SER H H 1 7.812 0.009 A 119 SER HA H 1 4.268 0.011 A 119 SER HBx H 1 4.404 0.003 A 119 SER HBy H 1 4.678 .01 A 119 SER HG H 1 5.259 0.001 A 119 SER C C 13 175.183 0.1 A 119 SER CA C 13 61.741 0.025 A 119 SER CB C 13 64.296 0.041 A 119 SER N N 15 114.087 0.019 A 120 ILE H H 1 6.869 0.004 A 120 ILE HA H 1 4.835 0.002 A 120 ILE HB H 1 2.040 0.005 A 120 ILE HD1% H 1 1.030 0.011 A 120 ILE HG12 H 1 1.456 0.009 A 120 ILE HG13 H 1 1.456 0.009 A 120 ILE HG2% H 1 0.909 0.009 A 120 ILE C C 13 175.155 0.1 A 120 ILE CA C 13 60.308 0.01 A 120 ILE CB C 13 38.453 0.03 A 120 ILE CD1 C 13 14.645 0.051 A 120 ILE CG1 C 13 25.872 0.078 A 120 ILE CG2 C 13 17.699 0.026 A 120 ILE N N 15 112.678 0.038 A 121 LYS H H 1 7.497 0.005 A 121 LYS HA H 1 4.383 0.004 A 121 LYS HBx H 1 1.870 0.007 A 121 LYS HBy H 1 1.923 0.02 A 121 LYS HG2 H 1 1.506 0.006 A 121 LYS HG3 H 1 1.506 0.006 A 121 LYS C C 13 176.253 0.1 A 121 LYS CA C 13 56.579 0.032 A 121 LYS CB C 13 33.241 0.035 A 121 LYS CD C 13 29.086 0.1 A 121 LYS CE C 13 41.867 0.1 A 121 LYS CG C 13 24.700 0.1 A 121 LYS N N 15 123.268 0.014 A 122 LYS H H 1 8.648 0.013 A 122 LYS HA H 1 4.425 0.007 A 122 LYS HBx H 1 1.780 0.011 A 122 LYS HBy H 1 1.908 0.007 A 122 LYS C C 13 175.386 0.1 A 122 LYS CA C 13 56.437 0.02 A 122 LYS CB C 13 33.548 0.022 A 122 LYS CD C 13 29.114 0.1 A 122 LYS CE C 13 42.247 0.1 A 122 LYS CG C 13 24.709 0.1 A 122 LYS N N 15 125.113 0.05 A 123 ASP H H 1 8.143 0.008 A 123 ASP HA H 1 4.401 0.008 A 123 ASP HBy H 1 2.688 0.013 A 123 ASP HBx H 1 2.611 0.019 A 123 ASP CA C 13 55.873 0.029 A 123 ASP CB C 13 42.213 0.012 A 123 ASP N N 15 128.208 0.019 B 1 ACD H10x H 1 2.173 0.013 B 1 ACD H10y H 1 3.126 0.006 B 1 ACD H11 H 1 5.585 0.015 B 1 ACD H12 H 1 4.923 0.007 B 1 ACD H13x H 1 2.098 0.022 B 1 ACD H13y H 1 2.318 0.009 B 1 ACD H14 H 1 5.365 0.005 B 1 ACD H15 H 1 5.667 0.013 B 1 ACD H16x H 1 1.342 0.006 B 1 ACD H16y H 1 1.787 0.008 B 1 ACD H17x H 1 0.946 0.016 B 1 ACD H17y H 1 1.212 0.012 B 1 ACD H18x H 1 0.885 0.01 B 1 ACD H18y H 1 1.161 0.01 B 1 ACD H19x H 1 0.977 0.008 B 1 ACD H19y H 1 1.177 0.012 B 1 ACD H20% H 1 0.683 0.008 B 1 ACD H21 H 1 2.052 0.006 B 1 ACD H22 H 1 2.052 0.006 B 1 ACD H3x H 1 1.198 0.016 B 1 ACD H3y H 1 1.379 0.011 B 1 ACD H4y H 1 1.811 0.005 B 1 ACD H4x H 1 1.364 0.011 B 1 ACD H5 H 1 4.998 0.016 B 1 ACD H6 H 1 5.120 0.006 B 1 ACD H7x H 1 2.761 0.003 B 1 ACD H7y H 1 2.896 0.008 B 1 ACD H8 H 1 5.380 0.006 B 1 ACD H9 H 1 5.544 0.008 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 24 ILE HG2% A 24 ILE HA 1.0 1.619 2.887 2 2 A 103 ARG HA A 103 ARG HBx 1.0 1.648 2.996 3 2 A 103 ARG HBy A 103 ARG HA 1.0 1.648 2.996 4 3 A 106 LYS HE2 A 106 LYS HD2 1.0 1.604 2.836 5 3 A 106 LYS HD3 A 106 LYS HE3 1.0 1.604 2.836 6 3 A 106 LYS HE2 A 106 LYS HD3 1.0 1.604 2.836 7 4 A 69 VAL HB A 69 VAL HG2% 1.0 1.506 2.518 8 4 A 69 VAL HB A 69 VAL HG1% 1.0 1.506 2.518 9 5 A 113 LEU HB3 A 113 LEU HD2% 1.0 1.666 3.064 10 6 A 12 GLN HA A 15 ARG HD2 1.0 1.891 4.237 11 6 A 12 GLN HA A 15 ARG HD3 1.0 1.891 4.237 12 7 A 87 LYS HGy A 87 LYS HB3 1.0 1.627 2.917 13 7 A 87 LYS HB2 A 87 LYS HGy 1.0 1.627 2.917 14 8 A 121 LYS HBx A 121 LYS HG2 1.0 1.726 3.314 15 8 A 121 LYS HBx A 121 LYS HG3 1.0 1.726 3.314 16 9 A 90 ASP HB3 A 90 ASP H 1.0 1.711 3.247 17 9 A 91 LYS H A 90 ASP HB3 1.0 1.711 3.247 18 10 A 69 VAL HG2% A 82 ARG HGy 1.0 1.727 3.317 19 11 A 15 ARG HD3 A 15 ARG HGx 1.0 1.743 3.387 20 11 A 15 ARG HD2 A 15 ARG HGx 1.0 1.743 3.387 21 12 A 22 LEU H A 21 SER HB3 1.0 1.691 3.165 22 12 A 22 LEU H A 21 SER HB2 1.0 1.691 3.165 23 13 A 79 GLU HGy A 79 GLU HB2 1.0 1.560 2.690 24 13 A 79 GLU HB3 A 79 GLU HGx 1.0 1.560 2.690 25 13 A 79 GLU HGy A 79 GLU HB3 1.0 1.560 2.690 26 14 A 9 GLU HA A 9 GLU HB3 1.0 1.586 2.774 27 14 A 9 GLU HA A 9 GLU HB2 1.0 1.586 2.774 28 15 A 64 LEU HB2 A 64 LEU HD1% 1.0 1.686 3.142 29 16 A 87 LYS HB3 A 88 CYS H 1.0 1.901 4.323 30 16 A 87 LYS HB2 A 88 CYS H 1.0 1.901 4.323 31 17 A 114 SER H A 114 SER HB2 1.0 1.792 3.632 32 17 A 114 SER H A 114 SER HB3 1.0 1.792 3.632 33 18 A 106 LYS HBy A 106 LYS HA 1.0 1.595 2.805 34 19 A 81 VAL H A 80 GLU HB3 1.0 1.737 3.361 35 20 A 87 LYS HB2 A 87 LYS HD2 1.0 1.660 3.042 36 20 A 87 LYS HB2 A 87 LYS HD3 1.0 1.660 3.042 37 20 A 87 LYS HB3 A 87 LYS HD2 1.0 1.660 3.042 38 20 A 87 LYS HB3 A 87 LYS HD3 1.0 1.660 3.042 39 21 A 86 LEU H A 86 LEU HD1% 1.0 1.905 4.351 40 21 A 86 LEU H A 86 LEU HD2% 1.0 1.905 4.351 41 22 A 41 ASP H A 41 ASP HB2 1.0 1.955 4.843 42 22 A 41 ASP H A 40 ASP HBy 1.0 1.955 4.843 43 23 A 64 LEU HD1% A 67 ASN HD21 1.0 1.998 5.772 44 24 A 87 LYS HB3 A 87 LYS HA 1.0 1.701 3.209 45 24 A 87 LYS HB2 A 87 LYS HA 1.0 1.701 3.209 46 25 A 22 LEU HD1% A 22 LEU HG 1.0 1.510 2.528 47 25 A 22 LEU HB2 A 22 LEU HD1% 1.0 1.510 2.528 48 26 A 9 GLU HA A 9 GLU HG3 1.0 1.655 3.021 49 26 A 9 GLU HA A 9 GLU HG2 1.0 1.655 3.021 50 27 A 9 GLU HB2 A 10 ASP H 1.0 1.747 3.409 51 27 A 9 GLU HB3 A 10 ASP H 1.0 1.747 3.409 52 28 A 30 GLU HBx A 30 GLU HGy 1.0 1.620 2.894 53 28 A 30 GLU HGx A 30 GLU HBx 1.0 1.620 2.894 54 29 A 3 PHE H A 2 GLU HG3 1.0 1.983 6.755 55 29 A 3 PHE H A 2 GLU HG2 1.0 1.983 6.755 56 30 A 58 ASP HBy A 64 LEU HD2% 1.0 1.730 3.332 57 31 A 113 LEU HA A 116 ILE HD1% 1.0 1.711 3.247 58 32 A 36 GLU HGx A 36 GLU HBx 1.0 1.631 2.931 59 32 A 36 GLU HBy A 36 GLU HGx 1.0 1.631 2.931 60 33 A 12 GLN H A 11 LEU HD2% 1.0 2.000 6.052 61 33 A 12 GLN H A 11 LEU HD1% 1.0 2.000 6.052 62 34 A 115 LEU HBy A 115 LEU HD1% 1.0 1.625 2.913 63 34 A 115 LEU HBy A 115 LEU HD2% 1.0 1.625 2.913 64 35 A 19 VAL HG2% A 29 VAL HG2% 1.0 1.513 2.539 65 36 A 29 VAL HG2% A 26 ALA HA 1.0 1.583 2.761 66 37 A 120 ILE HD1% A 120 ILE HG13 1.0 1.556 2.674 67 37 A 120 ILE HD1% A 120 ILE HG12 1.0 1.556 2.674 68 38 A 86 LEU HD1% A 86 LEU HB2 1.0 1.558 2.680 69 39 A 65 VAL HA A 68 LEU HD1% 1.0 1.568 2.712 70 40 A 86 LEU HD1% A 86 LEU HB3 1.0 1.587 2.777 71 40 A 86 LEU HD2% A 86 LEU HB3 1.0 1.587 2.777 72 41 A 11 LEU HD2% A 11 LEU HB3 1.0 1.687 3.149 73 42 A 53 LYS HD2 A 53 LYS HE3 1.0 1.635 2.949 74 42 A 53 LYS HD3 A 53 LYS HE3 1.0 1.635 2.949 75 42 A 53 LYS HD2 A 53 LYS HE2 1.0 1.635 2.949 76 43 A 15 ARG HD2 A 15 ARG H 1.0 1.998 6.280 77 43 A 15 ARG HD3 A 15 ARG H 1.0 1.998 6.280 78 44 A 30 GLU H A 29 VAL HG1% 1.0 1.946 4.738 79 44 A 29 VAL HG2% A 30 GLU H 1.0 1.946 4.738 80 45 A 29 VAL HG2% A 29 VAL HA 1.0 1.473 2.419 81 45 A 29 VAL HG1% A 29 VAL HA 1.0 1.473 2.419 82 46 A 37 PHE H A 37 PHE HB3 1.0 1.795 3.643 83 47 A 116 ILE HD1% A 116 ILE HB 1.0 1.610 2.856 84 47 A 116 ILE HB A 116 ILE HG2% 1.0 1.610 2.856 85 48 A 117 LYS HEx A 117 LYS HD2 1.0 1.762 3.478 86 48 A 117 LYS HEx A 117 LYS HD3 1.0 1.762 3.478 87 49 A 20 SER H A 20 SER HB2 1.0 1.531 2.595 88 49 A 20 SER H A 20 SER HB3 1.0 1.531 2.595 89 50 A 68 LEU HD2% A 68 LEU HA 1.0 1.502 2.504 90 51 A 89 VAL HA A 89 VAL HG1% 1.0 1.522 2.568 91 51 A 89 VAL HA A 89 VAL HG2% 1.0 1.522 2.568 92 52 A 9 GLU HB2 A 9 GLU HG2 1.0 1.540 2.622 93 52 A 9 GLU HB2 A 9 GLU HG3 1.0 1.540 2.622 94 52 A 9 GLU HB3 A 9 GLU HG2 1.0 1.540 2.622 95 52 A 9 GLU HB3 A 9 GLU HG3 1.0 1.540 2.622 96 53 A 115 LEU HBy A 115 LEU HD1% 1.0 1.530 2.590 97 54 A 68 LEU HD1% A 63 PRO HA 1.0 1.811 3.729 98 55 A 30 GLU HGx A 30 GLU HBy 1.0 1.598 2.816 99 55 A 30 GLU HGy A 30 GLU HBy 1.0 1.598 2.816 100 56 A 84 GLU HB2 A 84 GLU H 1.0 1.780 3.564 101 57 A 22 LEU HG A 22 LEU HD2% 1.0 1.469 2.407 102 58 A 11 LEU HD2% A 11 LEU H 1.0 1.990 5.438 103 58 A 11 LEU HD1% A 11 LEU H 1.0 1.990 5.438 104 59 A 101 ALA HB% A 48 LYS HG2 1.0 1.697 3.189 105 59 A 101 ALA HB% A 48 LYS HG3 1.0 1.697 3.189 106 60 A 22 LEU H A 22 LEU HD2% 1.0 1.974 5.104 107 60 A 22 LEU H A 22 LEU HD1% 1.0 1.974 5.104 108 61 A 47 ILE HD1% A 105 PHE HD% 1.0 1.767 3.505 109 61 A 47 ILE HD1% A 51 PHE HE% 1.0 1.767 3.505 110 62 A 79 GLU HB2 A 79 GLU H 1.0 1.665 3.063 111 63 A 65 VAL HA A 65 VAL HG2% 1.0 1.567 2.713 112 64 A 37 PHE HD% A 37 PHE HB2 1.0 1.624 2.904 113 64 A 37 PHE HB3 A 37 PHE HD% 1.0 1.624 2.904 114 65 A 64 LEU HD1% A 67 ASN HD22 1.0 1.999 5.887 115 66 A 64 LEU HD2% A 61 GLU H 1.0 1.989 6.613 116 67 A 85 VAL HA A 85 VAL HG2% 1.0 1.587 2.779 117 67 A 85 VAL HA A 85 VAL HG1% 1.0 1.587 2.779 118 68 A 29 VAL HG1% A 29 VAL HB 1.0 1.494 2.482 119 68 A 29 VAL HG2% A 29 VAL HB 1.0 1.494 2.482 120 69 A 30 GLU HGx A 30 GLU HA 1.0 1.735 3.353 121 70 A 21 SER HB3 A 18 CYS HA 1.0 1.790 3.616 122 70 A 21 SER HB2 A 18 CYS HA 1.0 1.790 3.616 123 71 A 84 GLU HGy A 84 GLU HB3 1.0 1.629 2.923 124 71 A 84 GLU HB2 A 84 GLU HGy 1.0 1.629 2.923 125 72 A 11 LEU HD1% A 11 LEU HA 1.0 1.606 2.844 126 73 A 87 LYS HB3 A 87 LYS HGx 1.0 1.641 2.971 127 73 A 87 LYS HB2 A 87 LYS HGx 1.0 1.641 2.971 128 74 A 85 VAL HG2% A 108 PHE HE% 1.0 1.645 2.987 129 75 A 109 GLN HBx A 113 LEU HD1% 1.0 1.877 4.141 130 76 A 117 LYS HEx A 113 LEU HD1% 1.0 1.659 3.039 131 76 A 113 LEU HD2% A 117 LYS HEx 1.0 1.659 3.039 132 77 A 8 THR HG2% A 8 THR HA 1.0 1.548 2.648 133 78 A 64 LEU HD1% A 64 LEU HB3 1.0 1.676 3.104 134 78 A 64 LEU HD2% A 64 LEU HB3 1.0 1.676 3.104 135 79 A 59 ASP H A 59 ASP HB3 1.0 1.720 3.286 136 79 A 59 ASP H A 59 ASP HB2 1.0 1.720 3.286 137 80 A 89 VAL HG2% A 63 PRO HGy 1.0 1.667 3.067 138 80 A 89 VAL HG1% A 63 PRO HGy 1.0 1.667 3.067 139 81 A 24 ILE HG2% A 24 ILE HB 1.0 1.538 2.616 140 82 A 64 LEU HD2% A 61 GLU HBy 1.0 1.789 3.615 141 83 A 84 GLU HB3 A 108 PHE HE% 1.0 1.725 3.309 142 83 A 84 GLU HB2 A 108 PHE HE% 1.0 1.725 3.309 143 84 A 9 GLU HA A 9 GLU HG3 1.0 1.610 2.854 144 84 A 9 GLU HA A 9 GLU HG2 1.0 1.610 2.854 145 85 A 117 LYS HD3 A 117 LYS HBx 1.0 1.630 2.930 146 85 A 117 LYS HD2 A 117 LYS HBy 1.0 1.630 2.930 147 85 A 117 LYS HD2 A 117 LYS HBx 1.0 1.630 2.930 148 86 A 73 ALA H A 69 VAL HA 1.0 1.825 3.805 149 87 A 89 VAL HB A 86 LEU HA 1.0 1.724 3.306 150 87 A 89 VAL HA A 89 VAL HB 1.0 1.724 3.306 151 88 A 69 VAL HG2% A 69 VAL HA 1.0 1.472 2.420 152 88 A 69 VAL HG1% A 69 VAL HA 1.0 1.472 2.420 153 89 A 86 LEU HD1% A 86 LEU HB3 1.0 1.503 2.507 154 89 A 86 LEU HD1% A 82 ARG HGx 1.0 1.503 2.507 155 90 A 59 ASP HB3 A 59 ASP HA 1.0 1.689 3.155 156 90 A 59 ASP HB2 A 59 ASP HA 1.0 1.689 3.155 157 91 A 79 GLU HB3 A 79 GLU HA 1.0 1.646 2.990 158 91 A 79 GLU HB2 A 79 GLU HA 1.0 1.646 2.990 159 92 A 89 VAL HG2% A 89 VAL HB 1.0 1.524 2.574 160 92 A 89 VAL HG1% A 89 VAL HB 1.0 1.524 2.574 161 93 A 47 ILE H A 47 ILE HA 1.0 1.753 3.435 162 94 A 87 LYS HGy A 87 LYS HB3 1.0 1.674 3.096 163 94 A 87 LYS HB2 A 87 LYS HGy 1.0 1.674 3.096 164 95 A 115 LEU HD2% A 115 LEU HBx 1.0 1.629 2.927 165 96 A 68 LEU HD1% A 63 PRO HBy 1.0 1.559 2.685 166 97 A 9 GLU HB3 A 9 GLU H 1.0 1.701 3.209 167 97 A 9 GLU HB2 A 9 GLU H 1.0 1.701 3.209 168 98 A 117 LYS HD2 A 117 LYS HEy 1.0 1.765 3.489 169 98 A 117 LYS HD3 A 117 LYS HEy 1.0 1.765 3.489 170 99 A 89 VAL HG2% A 63 PRO HGy 1.0 1.645 2.987 171 100 A 115 LEU HD2% A 115 LEU HBx 1.0 1.570 2.722 172 100 A 115 LEU HBy A 115 LEU HD2% 1.0 1.570 2.722 173 101 A 117 LYS HD3 A 117 LYS HGx 1.0 1.683 3.133 174 101 A 117 LYS HD2 A 117 LYS HGx 1.0 1.683 3.133 175 102 A 84 GLU HB2 A 81 VAL HA 1.0 1.874 4.120 176 103 A 114 SER HB2 A 115 LEU H 1.0 1.762 3.480 177 103 A 114 SER HB3 A 115 LEU H 1.0 1.762 3.480 178 104 A 9 GLU HB2 A 9 GLU HG2 1.0 1.505 2.515 179 104 A 9 GLU HB2 A 9 GLU HG3 1.0 1.505 2.515 180 104 A 9 GLU HB3 A 9 GLU HG2 1.0 1.505 2.515 181 104 A 9 GLU HB3 A 9 GLU HG3 1.0 1.505 2.515 182 105 A 21 SER HB3 A 21 SER H 1.0 1.588 2.780 183 105 A 21 SER HB2 A 21 SER H 1.0 1.588 2.780 184 106 A 64 LEU HD2% A 62 GLY H 1.0 1.998 6.254 185 107 A 15 ARG HD2 A 15 ARG HB3 1.0 1.809 3.717 186 107 A 15 ARG HD3 A 15 ARG HB3 1.0 1.809 3.717 187 108 A 15 ARG HD2 A 15 ARG HGy 1.0 1.703 3.211 188 108 A 15 ARG HD3 A 15 ARG HGy 1.0 1.703 3.211 189 109 A 81 VAL HA A 84 GLU HGx 1.0 1.793 3.631 190 110 A 24 ILE HB A 19 VAL HG1% 1.0 1.512 2.538 191 111 A 81 VAL HG2% A 81 VAL HB 1.0 1.583 2.763 192 112 A 35 TRP HZ2 A 35 TRP HH2 1.0 1.809 3.717 193 113 A 60 THR HA A 100 TRP HZ3 1.0 1.999 5.797 194 114 A 22 LEU HB2 A 22 LEU HB3 1.0 1.539 2.619 195 115 A 43 THR HA A 43 THR HG2% 1.0 1.617 2.885 196 116 A 56 LEU HA A 56 LEU HD2% 1.0 1.542 2.632 197 117 A 79 GLU H A 78 ALA HB% 1.0 1.684 3.136 198 118 A 100 TRP HE3 A 57 PHE HZ 1.0 1.930 4.574 199 119 A 117 LYS HA A 117 LYS HGy 1.0 1.821 3.789 200 120 A 24 ILE HB A 24 ILE HG1y 1.0 1.813 3.743 201 121 A 64 LEU HD2% A 58 ASP HBx 1.0 1.627 2.919 202 122 A 87 LYS HB2 A 87 LYS H 1.0 1.689 3.157 203 122 A 87 LYS HB3 A 87 LYS H 1.0 1.689 3.157 204 123 A 100 TRP HE3 A 97 ALA HB% 1.0 1.993 5.551 205 124 A 53 LYS H A 53 LYS HG2 1.0 1.844 3.922 206 124 A 53 LYS H A 53 LYS HG3 1.0 1.844 3.922 207 125 A 23 ASN HBy A 23 ASN HA 1.0 1.592 2.794 208 126 A 33 LYS HB2 A 33 LYS HGx 1.0 1.703 3.211 209 127 A 35 TRP HZ2 A 35 TRP HH2 1.0 1.784 3.586 210 128 A 79 GLU HGy A 79 GLU H 1.0 1.736 3.356 211 129 A 36 GLU HBy A 36 GLU HA 1.0 1.727 3.315 212 130 A 103 ARG HA A 103 ARG HGx 1.0 1.820 3.778 213 131 A 22 LEU HD1% A 49 CYS H 1.0 1.866 4.064 214 132 A 73 ALA H A 81 VAL HG2% 1.0 1.980 5.214 215 133 A 19 VAL HG1% A 19 VAL HB 1.0 1.470 2.414 216 134 A 21 SER H A 20 SER HA 1.0 1.980 5.232 217 135 A 33 LYS HGx A 33 LYS HGy 1.0 1.529 2.589 218 136 A 73 ALA HA A 73 ALA HB% 1.0 1.495 2.485 219 137 A 19 VAL H A 46 TYR HE% 1.0 1.990 6.568 220 138 A 30 GLU HBy A 30 GLU HA 1.0 1.658 3.034 221 139 A 56 LEU HB3 A 56 LEU HD1% 1.0 1.777 3.549 222 140 A 19 VAL HB A 19 VAL H 1.0 1.654 3.022 223 141 A 37 PHE HD% A 37 PHE HA 1.0 1.960 4.920 224 142 A 61 GLU HBy A 61 GLU HBx 1.0 1.431 2.301 225 143 A 65 VAL HA A 66 ASP H 1.0 1.985 5.319 226 144 A 99 HIS HBx A 100 TRP H 1.0 1.868 4.078 227 145 A 58 ASP HBx A 58 ASP H 1.0 1.948 4.768 228 146 A 79 GLU HGx A 79 GLU HA 1.0 1.727 3.315 229 147 A 22 LEU HD2% A 22 LEU HA 1.0 1.472 2.418 230 148 A 122 LYS H A 122 LYS HA 1.0 1.818 3.770 231 149 A 62 GLY HAy A 100 TRP HH2 1.0 1.998 6.188 232 150 A 95 ASN HA A 92 ASN HD22 1.0 1.752 3.428 233 151 A 12 GLN HA A 15 ARG H 1.0 1.976 5.158 234 152 A 113 LEU HD1% A 113 LEU HB2 1.0 1.592 2.794 235 153 A 47 ILE HG2% A 47 ILE HB 1.0 1.680 3.122 236 154 A 35 TRP H A 35 TRP HA 1.0 1.585 2.771 237 155 A 68 LEU HD1% A 63 PRO HA 1.0 1.858 4.010 238 156 A 31 LYS HDx A 31 LYS HE2 1.0 1.722 3.294 239 156 A 31 LYS HDx A 31 LYS HE3 1.0 1.722 3.294 240 157 A 50 VAL HB A 50 VAL HG2% 1.0 1.638 2.958 241 158 A 63 PRO HGy A 63 PRO HBx 1.0 1.687 3.147 242 159 A 67 ASN HB3 A 67 ASN HA 1.0 1.757 3.453 243 160 A 31 LYS H A 28 TYR HA 1.0 1.974 5.106 244 161 A 33 LYS HGx A 33 LYS HGy 1.0 1.483 2.449 245 162 A 29 VAL HA A 31 LYS H 1.0 1.989 6.597 246 163 A 89 VAL HA A 89 VAL H 1.0 1.770 3.520 247 164 A 14 TYR HA A 14 TYR HD% 1.0 1.573 2.729 248 165 A 60 THR HG2% A 60 THR HB 1.0 1.452 2.360 249 166 A 120 ILE HD1% A 120 ILE H 1.0 1.975 5.131 250 167 A 73 ALA HB% A 81 VAL HG1% 1.0 1.544 2.636 251 168 A 106 LYS HBx A 106 LYS H 1.0 1.709 3.241 252 169 A 90 ASP H A 89 VAL HA 1.0 1.519 2.559 253 170 A 31 LYS HE3 A 31 LYS HDy 1.0 1.748 3.410 254 170 A 31 LYS HE2 A 31 LYS HDy 1.0 1.748 3.410 255 171 A 64 LEU H A 57 PHE HA 1.0 1.762 3.478 256 172 A 8 THR HG2% A 9 GLU H 1.0 1.869 4.083 257 173 A 2 GLU HG3 A 2 GLU HA 1.0 1.716 3.270 258 173 A 2 GLU HG2 A 2 GLU HA 1.0 1.716 3.270 259 174 A 51 PHE H A 50 VAL HG1% 1.0 1.872 4.106 260 175 A 50 VAL HG2% A 18 CYS HB2 1.0 1.747 3.409 261 176 A 50 VAL HB A 50 VAL HG2% 1.0 1.526 2.578 262 177 A 3 PHE H A 2 GLU HBx 1.0 1.902 4.328 263 178 A 114 SER H A 114 SER HA 1.0 1.866 4.066 264 179 A 58 ASP HBy A 62 GLY H 1.0 1.862 4.036 265 180 A 84 GLU HGy A 84 GLU HB3 1.0 1.548 2.648 266 180 A 84 GLU HB2 A 84 GLU HGy 1.0 1.548 2.648 267 181 A 11 LEU H A 10 ASP HB2 1.0 1.861 4.031 268 182 A 81 VAL HG1% A 72 LEU HB2 1.0 1.556 2.674 269 183 A 91 LYS HBy A 91 LYS HGx 1.0 1.605 2.841 270 184 A 90 ASP H A 90 ASP HB2 1.0 2.000 5.920 271 185 A 19 VAL H A 18 CYS HB2 1.0 1.862 4.042 272 186 A 92 ASN H A 91 LYS HA 1.0 1.602 2.832 273 187 A 17 GLU HA A 17 GLU HB2 1.0 1.820 3.780 274 188 A 105 PHE HD% A 105 PHE HB3 1.0 1.766 3.498 275 189 A 113 LEU HB3 A 113 LEU HD2% 1.0 1.578 2.748 276 190 A 59 ASP H A 59 ASP HA 1.0 1.906 4.360 277 191 A 8 THR HG2% A 8 THR HA 1.0 1.570 2.720 278 192 A 82 ARG H A 82 ARG HB3 1.0 1.877 4.137 279 193 A 69 VAL HA A 73 ALA HB% 1.0 1.899 4.301 280 194 A 34 LYS H A 34 LYS HB2 1.0 1.758 3.456 281 195 A 66 ASP HBy A 66 ASP HA 1.0 1.652 3.014 282 196 A 36 GLU HBx A 36 GLU H 1.0 1.834 3.862 283 197 A 81 VAL HA A 82 ARG H 1.0 1.998 5.770 284 198 A 23 ASN HD21 A 23 ASN HD22 1.0 1.420 2.272 285 199 A 11 LEU HD1% A 11 LEU HG 1.0 1.510 2.528 286 200 A 8 THR H A 7 THR H 1.0 1.912 7.766 287 201 A 85 VAL HG1% B 1 ACD H19x 1.0 1.743 3.389 288 202 A 70 HIS HD2 A 70 HIS HBx 1.0 1.999 5.799 289 203 A 35 TRP H A 34 LYS HA 1.0 1.820 3.784 290 204 A 65 VAL HA A 68 LEU H 1.0 1.957 4.863 291 205 A 10 ASP HB2 A 6 SER HBx 1.0 1.859 4.017 292 206 A 44 MET H A 43 THR HB 1.0 1.795 3.641 293 207 A 34 LYS H A 31 LYS HA 1.0 1.996 5.670 294 208 A 47 ILE HA A 51 PHE H 1.0 1.998 6.244 295 209 A 65 VAL HA A 65 VAL HG2% 1.0 1.512 2.534 296 210 A 112 ASN HD22 A 111 ASN HB3 1.0 1.998 6.266 297 211 A 5 VAL HB A 5 VAL HA 1.0 1.672 3.086 298 212 A 116 ILE HB A 116 ILE HA 1.0 1.907 4.367 299 213 A 109 GLN H A 108 PHE HA 1.0 1.993 5.505 300 214 A 32 PHE H A 31 LYS HB3 1.0 1.955 4.851 301 215 A 52 ASN H A 49 CYS HA 1.0 1.994 5.554 302 216 A 87 LYS HGx A 87 LYS H 1.0 1.787 3.603 303 217 A 47 ILE HD1% A 47 ILE HA 1.0 1.562 2.694 304 218 A 54 MET H A 56 LEU H 1.0 2.000 5.980 305 219 A 5 VAL HGx% A 71 GLN HE22 1.0 1.682 3.128 306 220 A 100 TRP H A 100 TRP HB3 1.0 1.836 3.872 307 221 A 81 VAL HG2% A 73 ALA HA 1.0 1.562 2.692 308 222 A 50 VAL H A 46 TYR HA 1.0 1.998 6.246 309 223 A 93 THR H A 93 THR HG2% 1.0 1.632 2.938 310 224 A 46 TYR HE% A 18 CYS HB2 1.0 1.825 3.807 311 225 A 56 LEU HA A 56 LEU HB2 1.0 1.928 4.558 312 226 A 82 ARG HGx A 82 ARG HDx 1.0 1.759 3.467 313 227 A 38 PRO HDx A 38 PRO HDy 1.0 1.552 2.664 314 228 A 56 LEU H A 55 GLN HA 1.0 1.713 3.257 315 229 A 68 LEU HB2 A 68 LEU HG 1.0 1.838 3.884 316 230 A 72 LEU HB3 A 72 LEU HD1% 1.0 1.746 3.402 317 231 A 18 CYS HB2 A 18 CYS H 1.0 1.752 3.432 318 232 A 54 MET HA A 54 MET HGx 1.0 1.827 3.821 319 233 A 54 MET HA A 54 MET HB3 1.0 1.665 3.059 320 234 A 116 ILE HB A 113 LEU HD1% 1.0 1.624 2.910 321 235 A 65 VAL HA A 65 VAL H 1.0 1.739 3.373 322 236 A 16 THR HG2% A 17 GLU H 1.0 1.809 3.721 323 237 A 104 GLY HAx A 104 GLY HAy 1.0 1.509 2.529 324 238 A 113 LEU HD2% A 117 LYS HEx 1.0 1.741 3.377 325 239 A 26 ALA HA A 26 ALA H 1.0 1.892 4.246 326 240 A 109 GLN HBx A 109 GLN HGy 1.0 1.617 2.883 327 241 A 52 ASN H A 51 PHE HB3 1.0 1.966 4.996 328 242 A 86 LEU HB2 A 87 LYS H 1.0 1.870 4.094 329 243 A 109 GLN H A 109 GLN HGx 1.0 1.742 3.384 330 244 A 51 PHE HB2 A 51 PHE HD% 1.0 1.821 3.783 331 245 A 36 GLU HGx A 36 GLU HBx 1.0 1.583 2.765 332 246 A 61 GLU H A 61 GLU HGx 1.0 1.752 3.432 333 247 A 108 PHE H A 108 PHE HB2 1.0 1.733 3.345 334 248 A 24 ILE HB A 19 VAL HG1% 1.0 1.672 3.088 335 249 A 120 ILE HD1% A 120 ILE HB 1.0 1.700 3.198 336 250 A 86 LEU H A 85 VAL H 1.0 1.892 4.250 337 251 A 47 ILE HG2% A 105 PHE HB2 1.0 1.785 3.591 338 252 A 49 CYS HA A 52 ASN HBx 1.0 1.806 3.702 339 253 A 103 ARG HA A 103 ARG HBx 1.0 1.813 3.739 340 254 A 67 ASN HA A 67 ASN HB2 1.0 1.804 3.690 341 255 A 112 ASN HD21 A 112 ASN HA 1.0 1.966 7.078 342 256 A 38 PRO HGy A 38 PRO HBx 1.0 1.735 3.353 343 257 A 73 ALA H A 81 VAL HG1% 1.0 1.711 3.247 344 258 A 113 LEU HA A 113 LEU HD1% 1.0 1.526 2.580 345 259 A 31 LYS H A 33 LYS H 1.0 1.996 6.376 346 260 A 84 GLU HGy A 84 GLU HA 1.0 1.720 3.288 347 261 A 116 ILE HG2% A 35 TRP HH2 1.0 1.604 2.836 348 262 A 45 CYS HBx A 45 CYS H 1.0 1.783 3.579 349 263 A 43 THR HA A 43 THR HG2% 1.0 1.632 2.936 350 264 A 19 VAL HG2% A 19 VAL HB 1.0 1.492 2.476 351 265 A 53 LYS H A 50 VAL HG1% 1.0 1.964 7.110 352 266 A 30 GLU HGx A 30 GLU HA 1.0 1.774 3.536 353 267 A 44 MET H A 40 ASP H 1.0 1.995 6.401 354 268 A 116 ILE HD1% A 109 GLN HA 1.0 1.598 2.816 355 269 A 101 ALA HB% A 48 LYS HA 1.0 1.620 2.892 356 270 A 31 LYS HDx A 28 TYR HA 1.0 1.754 3.438 357 271 A 67 ASN HD21 A 67 ASN HB2 1.0 1.992 5.508 358 272 A 39 GLU HA A 39 GLU HBx 1.0 1.692 3.168 359 273 A 100 TRP H A 98 CYS H 1.0 2.000 6.052 360 274 A 36 GLU HBy A 36 GLU HGy 1.0 1.605 2.841 361 274 A 36 GLU HBx A 36 GLU HGy 1.0 1.605 2.841 362 275 A 80 GLU HB3 A 80 GLU HGy 1.0 1.563 2.695 363 275 A 80 GLU HGy A 80 GLU HB2 1.0 1.563 2.695 364 276 A 47 ILE H A 47 ILE HB 1.0 1.703 3.215 365 277 A 23 ASN HBx A 24 ILE H 1.0 2.000 6.080 366 278 A 119 SER H A 119 SER HA 1.0 1.754 3.444 367 279 A 2 GLU HG3 A 2 GLU HBx 1.0 1.634 2.942 368 279 A 2 GLU HG2 A 2 GLU HBx 1.0 1.634 2.942 369 280 A 29 VAL HG1% A 29 VAL HA 1.0 1.555 2.671 370 281 A 47 ILE HB A 48 LYS H 1.0 1.848 3.946 371 282 A 76 ARG H A 76 ARG HGx 1.0 1.993 6.473 372 283 A 105 PHE HE% A 35 TRP HZ3 1.0 1.985 5.307 373 284 A 113 LEU HB3 A 113 LEU HG 1.0 1.773 3.533 374 285 A 106 LYS HGx A 106 LYS HGy 1.0 1.431 2.303 375 286 A 106 LYS HBx A 106 LYS HGx 1.0 1.763 3.487 376 287 A 108 PHE HA A 112 ASN HD21 1.0 1.999 6.203 377 288 A 28 TYR HB3 A 28 TYR HD% 1.0 1.728 3.320 378 289 A 56 LEU HD1% B 1 ACD H13x 1.0 1.749 3.417 379 290 A 28 TYR HA A 31 LYS HGy 1.0 1.806 3.700 380 291 A 62 GLY HAy A 62 GLY HAx 1.0 1.540 2.624 381 292 A 43 THR HG2% A 32 PHE HE% 1.0 1.568 2.716 382 293 A 102 PHE HB2 A 102 PHE HD% 1.0 1.746 3.402 383 294 A 31 LYS HB3 A 31 LYS HB2 1.0 1.545 2.641 384 295 A 15 ARG HD2 A 15 ARG HB3 1.0 1.840 3.902 385 295 A 15 ARG HD3 A 15 ARG HB3 1.0 1.840 3.902 386 296 A 105 PHE HA B 1 ACD H15 1.0 1.794 3.642 387 297 A 64 LEU HB3 A 67 ASN HB2 1.0 1.907 4.367 388 298 A 55 GLN HB3 A 55 GLN HB2 1.0 1.525 2.577 389 299 A 113 LEU HA A 116 ILE HB 1.0 1.842 3.910 390 300 A 47 ILE HG2% A 47 ILE HG1y 1.0 1.700 3.202 391 301 A 37 PHE H A 36 GLU HA 1.0 1.486 2.456 392 302 A 109 GLN HBx A 109 GLN H 1.0 1.769 3.511 393 303 A 115 LEU H A 117 LYS H 1.0 1.985 6.709 394 304 A 84 GLU H A 84 GLU HGy 1.0 1.798 3.664 395 305 A 19 VAL H A 19 VAL HA 1.0 1.750 3.418 396 306 A 106 LYS HBx A 107 CYS H 1.0 1.868 4.072 397 307 A 102 PHE HD% A 47 ILE HG1x 1.0 1.847 3.939 398 308 A 54 MET HA A 54 MET HGy 1.0 1.862 4.036 399 309 A 18 CYS HB2 A 18 CYS HB3 1.0 1.525 2.575 400 310 A 86 LEU HB3 A 86 LEU HA 1.0 1.702 3.210 401 311 A 88 CYS HB2 A 88 CYS HB3 1.0 1.546 2.640 402 312 A 80 GLU HA A 80 GLU HGx 1.0 1.659 3.035 403 313 A 37 PHE HA A 38 PRO HDx 1.0 1.709 3.241 404 314 A 71 GLN H A 71 GLN HB2 1.0 1.759 3.463 405 315 A 84 GLU H A 81 VAL HA 1.0 1.987 5.369 406 316 A 37 PHE HB2 A 43 THR HG2% 1.0 1.551 2.659 407 317 A 86 LEU H A 83 THR HA 1.0 1.993 5.535 408 318 A 63 PRO HA A 64 LEU H 1.0 1.557 2.677 409 319 A 11 LEU HD2% A 11 LEU HB3 1.0 1.563 2.699 410 320 A 63 PRO HA A 63 PRO HBy 1.0 1.747 3.407 411 321 A 110 LYS H A 110 LYS HBy 1.0 1.650 3.004 412 322 A 103 ARG HGx A 103 ARG HDy 1.0 1.749 3.419 413 323 A 31 LYS HA A 31 LYS HB3 1.0 1.760 3.468 414 324 A 61 GLU H A 61 GLU HBx 1.0 1.944 4.714 415 325 A 32 PHE HB3 A 32 PHE HD% 1.0 1.725 3.311 416 326 A 35 TRP HBx A 35 TRP HBy 1.0 1.520 2.562 417 327 B 1 ACD H19x A 88 CYS HB3 1.0 1.857 4.001 418 328 A 35 TRP HA A 37 PHE HE% 1.0 1.734 3.350 419 329 A 117 LYS HBy A 117 LYS HA 1.0 1.757 3.457 420 330 A 76 ARG HB3 A 76 ARG HD3 1.0 1.745 3.395 421 330 A 76 ARG HB3 A 76 ARG HD2 1.0 1.745 3.395 422 331 A 119 SER H A 121 LYS H 1.0 1.998 6.282 423 332 A 85 VAL HG1% A 85 VAL H 1.0 1.995 5.621 424 333 A 36 GLU HA A 36 GLU HGy 1.0 1.785 3.591 425 334 A 52 ASN H A 52 ASN HBy 1.0 1.882 4.172 426 335 A 38 PRO HBx A 38 PRO HBy 1.0 1.470 2.412 427 336 A 47 ILE H A 46 TYR HA 1.0 1.988 5.396 428 337 A 66 ASP H A 65 VAL HB 1.0 1.694 3.180 429 338 A 80 GLU HB3 A 80 GLU H 1.0 1.599 2.821 430 339 A 30 GLU HGx A 30 GLU H 1.0 1.723 3.301 431 340 A 106 LYS HBy A 106 LYS HBx 1.0 1.474 2.422 432 341 A 17 GLU H A 16 THR HB 1.0 1.656 3.026 433 342 A 16 THR HB A 16 THR H 1.0 1.602 2.830 434 343 A 92 ASN HD22 A 92 ASN HB2 1.0 2.000 5.974 435 344 A 112 ASN HD21 A 112 ASN HB2 1.0 1.937 4.643 436 345 A 116 ILE HD1% A 109 GLN H 1.0 1.884 4.194 437 346 A 48 LYS HA A 48 LYS H 1.0 1.732 3.340 438 347 A 69 VAL HG1% A 73 ALA HB% 1.0 1.614 2.874 439 348 A 84 GLU H A 85 VAL H 1.0 1.915 4.433 440 349 A 91 LYS HBy A 91 LYS HA 1.0 1.880 4.158 441 350 A 71 GLN HA A 71 GLN HB3 1.0 1.895 4.271 442 351 A 13 ARG HA A 13 ARG HBy 1.0 1.755 3.449 443 352 A 81 VAL H A 81 VAL HB 1.0 1.674 3.096 444 353 A 45 CYS H A 41 ASP HA 1.0 1.998 6.254 445 354 A 11 LEU HB3 A 11 LEU H 1.0 1.755 3.443 446 355 A 64 LEU HD2% A 58 ASP H 1.0 1.958 4.874 447 356 A 50 VAL HG1% A 54 MET H 1.0 1.998 6.204 448 357 A 53 LYS H A 53 LYS HG2 1.0 1.893 4.253 449 357 A 53 LYS H A 53 LYS HG3 1.0 1.893 4.253 450 358 A 50 VAL HB A 50 VAL HG1% 1.0 1.636 2.952 451 359 A 91 LYS HBx A 91 LYS HGy 1.0 1.607 2.849 452 360 A 81 VAL H A 82 ARG H 1.0 1.908 4.374 453 361 A 93 THR H A 93 THR HB 1.0 1.991 5.477 454 362 A 106 LYS HE2 A 106 LYS HGy 1.0 1.755 3.445 455 362 A 106 LYS HE3 A 106 LYS HGy 1.0 1.755 3.445 456 363 A 13 ARG H A 13 ARG HBx 1.0 1.716 3.270 457 364 A 18 CYS HA A 18 CYS HB3 1.0 1.793 3.635 458 365 A 36 GLU H A 32 PHE HA 1.0 1.810 3.724 459 366 A 93 THR H A 92 ASN HB3 1.0 1.992 6.518 460 367 A 47 ILE H A 47 ILE HG2% 1.0 1.984 5.294 461 368 A 64 LEU HD1% A 64 LEU HB3 1.0 1.654 3.020 462 369 A 81 VAL HA A 81 VAL HG1% 1.0 1.593 2.799 463 370 A 89 VAL H A 88 CYS HA 1.0 1.992 5.488 464 371 A 27 ASP HA A 27 ASP HBx 1.0 1.552 2.664 465 372 A 123 ASP H A 123 ASP HBy 1.0 1.764 3.484 466 373 A 76 ARG H A 76 ARG HB3 1.0 1.999 5.833 467 374 A 91 LYS H A 92 ASN H 1.0 1.981 6.803 468 375 A 76 ARG HD3 A 76 ARG HB2 1.0 1.754 3.440 469 375 A 76 ARG HD2 A 76 ARG HB2 1.0 1.754 3.440 470 376 A 73 ALA HA A 81 VAL HG1% 1.0 1.862 4.036 471 377 A 69 VAL HB A 69 VAL HA 1.0 1.797 3.655 472 378 A 120 ILE H A 120 ILE HG2% 1.0 1.717 3.273 473 379 A 73 ALA HB% A 78 ALA HA 1.0 1.526 2.580 474 380 A 7 THR HG2% A 7 THR HA 1.0 1.711 3.247 475 381 A 65 VAL HB A 65 VAL HG1% 1.0 1.463 2.391 476 382 A 103 ARG HBy A 103 ARG HDy 1.0 1.835 3.865 477 383 A 63 PRO HA A 63 PRO HGx 1.0 1.888 4.216 478 384 A 71 GLN H A 71 GLN HB3 1.0 1.782 3.576 479 385 A 36 GLU HBy A 36 GLU HA 1.0 1.553 2.663 480 385 A 36 GLU HBx A 36 GLU HA 1.0 1.553 2.663 481 386 A 74 HIS HBx A 74 HIS H 1.0 1.821 3.783 482 387 A 93 THR HG2% A 93 THR HB 1.0 1.464 2.392 483 388 A 55 GLN HGx A 55 GLN HGy 1.0 1.387 2.183 484 389 A 66 ASP HA A 67 ASN H 1.0 1.982 5.254 485 390 A 109 GLN H A 109 GLN HBy 1.0 1.937 4.639 486 391 A 8 THR H A 120 ILE HB 1.0 1.876 4.136 487 392 A 81 VAL H A 80 GLU HA 1.0 1.990 5.450 488 393 A 38 PRO HDx A 38 PRO HGy 1.0 1.673 3.091 489 393 A 38 PRO HDx A 38 PRO HGx 1.0 1.673 3.091 490 394 A 10 ASP H A 10 ASP HB2 1.0 1.786 3.598 491 395 A 72 LEU HG A 72 LEU HD2% 1.0 1.566 2.708 492 396 A 52 ASN H A 51 PHE HB2 1.0 1.944 4.714 493 397 A 69 VAL HA A 81 VAL HG1% 1.0 1.609 2.855 494 398 A 56 LEU HD2% A 67 ASN HB2 1.0 1.785 3.591 495 399 A 65 VAL HG2% A 65 VAL H 1.0 1.544 2.636 496 400 A 82 ARG HB3 A 82 ARG HDy 1.0 1.737 3.363 497 401 A 82 ARG HDy A 82 ARG HB2 1.0 1.756 3.452 498 402 A 38 PRO HGy A 38 PRO HBy 1.0 1.709 3.237 499 403 A 2 GLU HA A 2 GLU HBx 1.0 1.631 2.931 500 404 A 52 ASN HBx A 52 ASN HBy 1.0 1.504 2.512 501 405 A 85 VAL HA A 85 VAL HG1% 1.0 1.642 2.974 502 406 A 76 ARG HD3 A 76 ARG HGy 1.0 1.638 2.958 503 406 A 76 ARG HD2 A 76 ARG HGy 1.0 1.638 2.958 504 407 A 56 LEU HB3 A 56 LEU H 1.0 1.985 5.339 505 408 A 71 GLN H A 70 HIS HBy 1.0 1.821 3.789 506 409 A 69 VAL HG1% A 78 ALA HB% 1.0 1.479 2.437 507 410 A 113 LEU HB3 A 113 LEU HA 1.0 1.810 3.722 508 411 A 24 ILE H A 19 VAL HA 1.0 1.962 4.930 509 412 A 70 HIS HBy A 70 HIS H 1.0 1.681 3.121 510 413 A 3 PHE H A 3 PHE HB3 1.0 1.746 3.406 511 414 A 100 TRP HE3 A 100 TRP HB3 1.0 1.835 3.867 512 415 A 89 VAL HG2% B 1 ACD H20% 1.0 1.442 2.334 513 416 A 49 CYS H A 49 CYS HB2 1.0 1.869 4.083 514 417 A 63 PRO HDx A 57 PHE HD% 1.0 1.857 4.005 515 418 A 72 LEU HB3 A 72 LEU HD1% 1.0 1.673 3.091 516 419 A 11 LEU HB3 A 11 LEU HG 1.0 1.678 3.114 517 420 A 86 LEU H A 85 VAL HG1% 1.0 1.788 3.604 518 421 A 39 GLU H A 38 PRO HA 1.0 1.481 2.443 519 422 A 56 LEU HB2 A 57 PHE H 1.0 1.990 5.438 520 423 A 29 VAL H A 28 TYR HB2 1.0 1.776 3.548 521 424 A 12 GLN HGy A 12 GLN HBy 1.0 1.612 2.866 522 424 A 12 GLN HBx A 12 GLN HGy 1.0 1.612 2.866 523 425 A 109 GLN HGy A 109 GLN HBy 1.0 1.694 3.176 524 426 A 49 CYS HA A 49 CYS HB2 1.0 1.726 3.312 525 427 A 86 LEU H A 85 VAL HA 1.0 1.995 5.621 526 428 A 72 LEU HD2% A 119 SER HG 1.0 1.839 3.889 527 429 A 52 ASN HBx A 52 ASN HBy 1.0 1.476 2.428 528 430 A 35 TRP H A 35 TRP HBy 1.0 2.000 5.894 529 431 A 40 ASP H A 39 GLU H 1.0 1.999 5.859 530 432 A 30 GLU H A 28 TYR HA 1.0 1.982 6.772 531 433 A 76 ARG HGy A 76 ARG HA 1.0 1.573 2.729 532 434 A 24 ILE HG2% A 24 ILE HB 1.0 1.654 3.018 533 435 A 115 LEU HBy A 115 LEU HA 1.0 1.571 2.725 534 435 A 115 LEU HBx A 115 LEU HA 1.0 1.571 2.725 535 436 A 102 PHE HD% A 103 ARG H 1.0 1.985 6.713 536 437 A 81 VAL HB A 73 ALA HB% 1.0 1.621 2.897 537 438 A 65 VAL H A 65 VAL HB 1.0 1.619 2.891 538 439 A 106 LYS HBy A 106 LYS HGy 1.0 1.578 2.746 539 440 A 116 ILE HB A 117 LYS H 1.0 1.768 3.512 540 441 A 31 LYS H A 31 LYS HGx 1.0 1.982 5.250 541 442 A 5 VAL H A 6 SER H 1.0 1.960 7.174 542 443 A 86 LEU HB2 A 86 LEU HB3 1.0 1.462 2.390 543 444 A 70 HIS HBx A 70 HIS HA 1.0 1.726 3.316 544 445 A 92 ASN H A 92 ASN HB3 1.0 1.732 3.340 545 446 A 69 VAL HG2% A 82 ARG HGy 1.0 1.638 2.960 546 447 A 69 VAL HG2% A 82 ARG HB2 1.0 1.630 2.928 547 448 A 73 ALA H A 72 LEU H 1.0 1.897 4.281 548 449 A 12 GLN H A 14 TYR H 1.0 1.986 6.686 549 450 A 13 ARG HA A 13 ARG HBy 1.0 1.742 3.386 550 451 A 84 GLU HB2 A 84 GLU HA 1.0 1.605 2.841 551 451 A 84 GLU HB3 A 84 GLU HA 1.0 1.605 2.841 552 452 A 111 ASN H A 111 ASN HB2 1.0 1.785 3.591 553 453 A 50 VAL HG2% A 15 ARG HA 1.0 1.768 3.510 554 454 A 92 ASN HD22 A 92 ASN HB3 1.0 1.987 5.373 555 455 A 47 ILE HG2% A 102 PHE H 1.0 1.998 6.268 556 456 A 60 THR HG2% A 60 THR H 1.0 1.968 5.016 557 457 A 101 ALA HB% A 100 TRP HB3 1.0 1.967 4.999 558 458 A 76 ARG HGx A 76 ARG HD2 1.0 1.447 2.345 559 458 A 76 ARG HD3 A 76 ARG HGy 1.0 1.447 2.345 560 458 A 76 ARG HGx A 76 ARG HD3 1.0 1.447 2.345 561 458 A 76 ARG HD2 A 76 ARG HGy 1.0 1.447 2.345 562 459 A 112 ASN HA A 112 ASN HB2 1.0 1.792 3.626 563 460 A 47 ILE HA A 47 ILE HG2% 1.0 1.696 3.188 564 461 A 86 LEU HB2 A 86 LEU HB3 1.0 1.466 2.400 565 462 A 72 LEU HD2% A 119 SER HBx 1.0 1.754 3.442 566 463 A 62 GLY HAx A 63 PRO HDy 1.0 1.677 3.107 567 464 A 120 ILE H A 120 ILE HB 1.0 1.992 5.496 568 465 A 49 CYS H A 48 LYS HB3 1.0 1.947 4.749 569 466 A 19 VAL H A 18 CYS HB3 1.0 1.993 5.525 570 467 A 12 GLN H A 12 GLN HBy 1.0 1.654 3.020 571 468 A 68 LEU HD2% A 68 LEU HG 1.0 1.538 2.618 572 469 A 82 ARG HGy A 82 ARG HB2 1.0 1.759 3.463 573 470 A 116 ILE HG2% A 116 ILE HA 1.0 1.646 2.988 574 471 A 72 LEU HG A 72 LEU HD2% 1.0 1.701 3.203 575 472 A 117 LYS HA A 117 LYS H 1.0 1.736 3.360 576 473 A 45 CYS H A 45 CYS HBy 1.0 1.958 4.878 577 474 A 109 GLN HA A 109 GLN HBy 1.0 1.718 3.276 578 475 A 22 LEU HD1% A 46 TYR HA 1.0 1.564 2.702 579 476 A 46 TYR H A 24 ILE HD1% 1.0 1.984 5.306 580 477 A 31 LYS HE2 A 31 LYS HGx 1.0 1.798 3.664 581 477 A 31 LYS HE3 A 31 LYS HGx 1.0 1.798 3.664 582 478 A 120 ILE HG12 A 121 LYS H 1.0 1.877 4.137 583 478 A 120 ILE HG13 A 121 LYS H 1.0 1.877 4.137 584 479 A 8 THR HG2% A 8 THR HB 1.0 1.531 2.595 585 480 A 94 ASP HBx A 94 ASP H 1.0 1.998 5.698 586 481 A 4 THR HA A 4 THR HG2% 1.0 1.495 2.485 587 482 A 103 ARG HBy A 103 ARG HGy 1.0 1.790 3.616 588 483 A 53 LYS HB3 A 53 LYS HA 1.0 1.768 3.508 589 484 A 5 VAL H A 4 THR H 1.0 1.981 6.803 590 485 A 63 PRO HGy A 63 PRO HDy 1.0 1.702 3.208 591 486 A 68 LEU HD1% A 68 LEU HB2 1.0 1.520 2.562 592 487 A 37 PHE H A 36 GLU H 1.0 1.999 5.797 593 488 A 111 ASN HB2 A 111 ASN HD22 1.0 1.954 4.836 594 489 A 117 LYS HBy A 117 LYS HGx 1.0 1.786 3.596 595 490 A 72 LEU HD1% A 72 LEU H 1.0 1.972 5.086 596 491 A 87 LYS HA A 87 LYS H 1.0 1.886 4.204 597 492 A 19 VAL H A 15 ARG HA 1.0 1.998 6.200 598 493 A 72 LEU HB3 A 72 LEU HA 1.0 1.733 3.343 599 494 A 25 PRO HGx A 25 PRO HDy 1.0 1.685 3.143 600 495 A 69 VAL HB A 69 VAL H 1.0 1.605 2.841 601 496 A 57 PHE HA A 64 LEU HG 1.0 1.747 3.411 602 497 A 16 THR HG2% A 16 THR H 1.0 1.967 5.007 603 498 A 3 PHE H A 2 GLU HBx 1.0 1.982 5.248 604 499 A 110 LYS HBy A 111 ASN H 1.0 1.854 3.982 605 500 A 102 PHE HD% A 44 MET HA 1.0 1.735 3.353 606 501 A 12 GLN HBx A 12 GLN HGy 1.0 1.674 3.096 607 501 A 12 GLN HBx A 12 GLN HGx 1.0 1.674 3.096 608 502 A 39 GLU HBy A 39 GLU HGy 1.0 1.652 3.008 609 502 A 39 GLU HBy A 39 GLU HGx 1.0 1.652 3.008 610 503 A 46 TYR H A 46 TYR HB2 1.0 1.722 3.296 611 504 A 13 ARG HBy A 13 ARG H 1.0 1.731 3.335 612 505 A 115 LEU H A 114 SER HA 1.0 1.992 5.506 613 506 A 43 THR HG2% A 43 THR H 1.0 1.987 5.359 614 507 A 53 LYS HG3 A 53 LYS HB3 1.0 1.718 3.280 615 507 A 53 LYS HG2 A 53 LYS HB3 1.0 1.718 3.280 616 508 A 110 LYS HA A 110 LYS HGy 1.0 1.785 3.593 617 509 A 5 VAL HA A 6 SER H 1.0 1.545 2.639 618 510 A 88 CYS H A 86 LEU H 1.0 1.998 6.220 619 511 A 47 ILE HA A 47 ILE HG2% 1.0 1.658 3.034 620 512 A 46 TYR HE% A 50 VAL HG2% 1.0 1.772 3.528 621 513 A 63 PRO HGx A 63 PRO HDx 1.0 1.762 3.478 622 514 A 13 ARG HA A 13 ARG HBx 1.0 1.541 2.625 623 514 A 13 ARG HA A 13 ARG HBy 1.0 1.541 2.625 624 515 A 42 THR HB A 28 TYR HE% 1.0 1.968 5.020 625 516 A 24 ILE HG1y A 24 ILE HD1% 1.0 1.618 2.884 626 517 A 34 LYS HA A 34 LYS HB3 1.0 1.803 3.689 627 518 A 5 VAL HB A 6 SER H 1.0 1.861 4.033 628 519 A 98 CYS H A 98 CYS HB3 1.0 1.978 5.196 629 520 A 84 GLU H A 85 VAL H 1.0 1.895 4.271 630 521 A 90 ASP H A 89 VAL HB 1.0 2.000 6.008 631 522 A 103 ARG HGy A 103 ARG HDx 1.0 1.773 3.531 632 523 A 50 VAL H A 50 VAL HA 1.0 1.726 3.312 633 524 A 47 ILE HB A 47 ILE HG1x 1.0 1.789 3.613 634 525 A 120 ILE HD1% A 120 ILE HB 1.0 1.571 2.725 635 526 A 48 LYS HA A 48 LYS HB3 1.0 1.751 3.425 636 527 A 103 ARG HBx A 103 ARG HDy 1.0 1.795 3.643 637 527 A 103 ARG HBy A 103 ARG HDy 1.0 1.795 3.643 638 528 A 11 LEU HD1% A 11 LEU HB2 1.0 1.579 2.751 639 529 A 109 GLN H A 108 PHE HB2 1.0 1.992 5.506 640 530 A 27 ASP H A 26 ALA HB% 1.0 1.858 4.008 641 531 A 56 LEU HD2% A 56 LEU HB3 1.0 1.706 3.230 642 532 A 51 PHE HB2 A 51 PHE HD% 1.0 1.864 4.050 643 533 A 5 VAL HGy% A 3 PHE HD% 1.0 1.789 3.609 644 534 A 3 PHE HB3 A 3 PHE HB2 1.0 1.450 2.356 645 535 A 24 ILE HG2% A 28 TYR HB2 1.0 1.736 3.356 646 536 A 117 LYS HEx A 117 LYS HD2 1.0 1.647 2.991 647 536 A 117 LYS HEx A 117 LYS HD3 1.0 1.647 2.991 648 537 A 47 ILE HB A 47 ILE HG1y 1.0 1.815 3.753 649 538 A 43 THR H A 43 THR HG1 1.0 1.985 5.317 650 539 A 24 ILE HA A 25 PRO HDy 1.0 1.628 2.924 651 540 A 50 VAL HG2% A 18 CYS H 1.0 1.986 6.682 652 541 A 89 VAL HA A 89 VAL HG1% 1.0 1.549 2.651 653 542 A 28 TYR HD% A 25 PRO HDy 1.0 1.832 3.848 654 543 A 24 ILE H A 24 ILE HG1x 1.0 1.928 4.554 655 544 A 33 LYS HB2 A 33 LYS H 1.0 1.807 3.705 656 545 A 22 LEU H A 22 LEU HB3 1.0 1.936 4.634 657 546 A 113 LEU HD1% A 113 LEU HB2 1.0 1.618 2.884 658 547 A 115 LEU HBx A 115 LEU H 1.0 1.676 3.104 659 548 A 91 LYS HBy A 93 THR HG2% 1.0 1.648 2.998 660 549 A 50 VAL HB A 50 VAL HA 1.0 1.806 3.702 661 550 A 3 PHE HD% A 3 PHE HB2 1.0 1.626 2.912 662 551 A 91 LYS HA A 91 LYS HBx 1.0 1.550 2.658 663 552 A 95 ASN HBx A 95 ASN HBy 1.0 1.319 2.015 664 553 A 101 ALA HB% A 48 LYS HA 1.0 1.609 2.855 665 554 A 115 LEU HBy A 112 ASN HB2 1.0 1.819 3.775 666 554 A 115 LEU HBx A 112 ASN HB2 1.0 1.819 3.775 667 555 A 115 LEU H A 112 ASN HA 1.0 1.994 5.550 668 556 A 34 LYS HA A 35 TRP HD1 1.0 1.966 4.996 669 557 A 107 CYS H A 107 CYS HB2 1.0 1.673 3.095 670 558 A 82 ARG HGx A 83 THR H 1.0 1.999 5.807 671 559 A 29 VAL HA A 29 VAL HB 1.0 1.801 3.673 672 560 A 21 SER H A 18 CYS H 1.0 1.946 7.378 673 561 A 103 ARG HA A 106 LYS HBx 1.0 1.892 4.248 674 562 A 81 VAL HG2% A 73 ALA HB% 1.0 1.639 2.961 675 563 A 99 HIS H A 98 CYS HB2 1.0 1.817 3.763 676 564 A 93 THR HG2% A 93 THR HB 1.0 1.439 2.325 677 565 A 52 ASN H A 52 ASN HD21 1.0 1.962 7.138 678 566 A 32 PHE H A 32 PHE HA 1.0 1.717 3.273 679 567 A 101 ALA HB% A 101 ALA HA 1.0 1.522 2.568 680 568 A 19 VAL HG2% A 24 ILE HB 1.0 1.610 2.858 681 569 A 38 PRO HBx A 38 PRO HGx 1.0 1.735 3.353 682 570 A 22 LEU HB3 A 24 ILE HD1% 1.0 1.666 3.062 683 571 A 89 VAL HG2% A 86 LEU HA 1.0 1.491 2.471 684 572 A 76 ARG HB2 A 76 ARG HA 1.0 1.781 3.569 685 573 A 44 MET HGy A 44 MET HB3 1.0 1.927 4.543 686 574 A 50 VAL HG2% A 50 VAL HA 1.0 1.575 2.739 687 575 A 22 LEU HB2 A 22 LEU HA 1.0 1.850 3.958 688 576 A 35 TRP H A 35 TRP HBx 1.0 1.902 4.324 689 577 A 108 PHE H A 108 PHE HB3 1.0 1.745 3.397 690 578 A 20 SER H A 19 VAL HG1% 1.0 1.741 3.379 691 579 A 93 THR HB A 94 ASP H 1.0 1.999 5.875 692 580 A 22 LEU HD1% A 49 CYS HB3 1.0 1.745 3.399 693 581 A 82 ARG HDx A 82 ARG HDy 1.0 1.411 2.249 694 582 A 72 LEU HD1% A 72 LEU HD2% 1.0 1.523 2.571 695 583 A 33 LYS HGy A 33 LYS HA 1.0 1.762 3.478 696 584 A 44 MET H A 44 MET HB3 1.0 1.959 4.885 697 585 A 35 TRP HBx A 35 TRP HBy 1.0 1.527 2.583 698 586 A 113 LEU HB3 A 113 LEU H 1.0 1.729 3.329 699 587 A 41 ASP HB2 A 41 ASP HA 1.0 1.763 3.483 700 588 A 24 ILE HB A 19 VAL HA 1.0 1.600 2.822 701 589 A 22 LEU H A 23 ASN H 1.0 1.849 3.951 702 590 A 22 LEU HD1% A 49 CYS HB2 1.0 1.716 3.268 703 591 A 113 LEU HA A 113 LEU HD1% 1.0 1.626 2.916 704 592 A 19 VAL HA A 24 ILE HG1x 1.0 1.700 3.200 705 593 A 61 GLU HBy A 61 GLU HGy 1.0 1.602 2.828 706 594 A 67 ASN HB3 A 67 ASN HA 1.0 1.622 2.900 707 595 A 68 LEU HA A 71 GLN HB2 1.0 1.946 4.740 708 596 A 117 LYS HEx A 117 LYS HEy 1.0 1.381 2.169 709 597 A 121 LYS HBy A 121 LYS HA 1.0 1.713 3.259 710 598 A 64 LEU HB2 A 64 LEU HA 1.0 1.832 3.850 711 599 A 102 PHE HA A 102 PHE HB3 1.0 1.856 3.994 712 600 A 27 ASP HA A 28 TYR H 1.0 1.996 5.620 713 601 A 92 ASN HD22 A 96 ASN H 1.0 1.974 5.110 714 602 A 36 GLU HGx A 36 GLU HA 1.0 1.817 3.763 715 603 A 112 ASN HB3 A 112 ASN H 1.0 1.843 3.919 716 604 A 14 TYR HA A 14 TYR H 1.0 1.803 3.687 717 605 A 22 LEU HD1% A 46 TYR HA 1.0 1.568 2.716 718 606 A 26 ALA H A 25 PRO HA 1.0 1.494 2.482 719 607 A 102 PHE H A 102 PHE HB3 1.0 1.767 3.501 720 608 A 103 ARG HBx A 103 ARG HGy 1.0 1.762 3.476 721 609 A 55 GLN HB3 A 55 GLN HB2 1.0 1.459 2.379 722 610 A 37 PHE HA A 38 PRO HDy 1.0 1.716 3.270 723 611 A 2 GLU HA A 2 GLU HBx 1.0 1.756 3.448 724 612 A 14 TYR H A 14 TYR HB3 1.0 1.974 5.116 725 613 A 6 SER H A 6 SER HBy 1.0 1.781 3.571 726 614 A 43 THR HG2% A 38 PRO HDy 1.0 1.830 3.840 727 615 A 74 HIS HBx A 74 HIS HD2 1.0 1.990 6.562 728 616 A 110 LYS H A 110 LYS HA 1.0 1.887 4.207 729 617 A 116 ILE HD1% A 109 GLN HBy 1.0 1.794 3.640 730 618 A 116 ILE HA A 116 ILE H 1.0 1.773 3.531 731 619 A 116 ILE HD1% A 113 LEU HD1% 1.0 1.537 2.613 732 620 A 86 LEU HB2 A 83 THR HA 1.0 1.808 3.716 733 621 A 81 VAL HA A 81 VAL HG2% 1.0 1.501 2.503 734 622 A 81 VAL H A 82 ARG H 1.0 1.900 4.314 735 623 A 25 PRO HA A 25 PRO HBy 1.0 1.671 3.083 736 624 A 103 ARG HGx A 103 ARG HDy 1.0 1.748 3.414 737 625 A 113 LEU HD2% A 113 LEU HB2 1.0 1.610 2.858 738 626 A 61 GLU HBx A 61 GLU HA 1.0 1.552 2.660 739 627 A 30 GLU HBx A 30 GLU H 1.0 1.874 4.122 740 628 A 62 GLY H A 58 ASP H 1.0 1.982 5.268 741 629 A 19 VAL HG1% A 20 SER HA 1.0 1.774 3.532 742 630 A 62 GLY H A 62 GLY HAy 1.0 1.662 3.050 743 631 B 1 ACD H19x A 88 CYS HB2 1.0 1.869 4.081 744 632 A 102 PHE HB2 A 102 PHE H 1.0 1.788 3.610 745 633 A 4 THR H A 3 PHE HA 1.0 1.487 2.461 746 634 A 82 ARG HGy A 65 VAL HG1% 1.0 1.676 3.104 747 635 A 33 LYS HA A 33 LYS HB3 1.0 1.798 3.658 748 636 A 63 PRO HBy A 63 PRO HBx 1.0 1.443 2.333 749 637 A 58 ASP HBy A 58 ASP H 1.0 1.780 3.564 750 638 A 109 GLN HBx A 109 GLN HA 1.0 1.738 3.368 751 639 A 56 LEU HA A 56 LEU HD2% 1.0 1.630 2.930 752 640 A 76 ARG HB3 A 76 ARG HB2 1.0 1.435 2.313 753 641 A 56 LEU HD2% A 67 ASN HB2 1.0 1.641 2.969 754 642 A 67 ASN HD22 A 55 GLN HB3 1.0 1.868 4.078 755 643 A 37 PHE HB2 A 37 PHE HA 1.0 1.779 3.563 756 644 A 72 LEU HB2 A 72 LEU HA 1.0 1.900 4.308 757 645 A 72 LEU HD1% A 72 LEU HD2% 1.0 1.485 2.455 758 646 A 76 ARG HB3 A 76 ARG HD3 1.0 1.624 2.906 759 646 A 76 ARG HB3 A 76 ARG HD2 1.0 1.624 2.906 760 647 A 82 ARG HGy A 82 ARG HB3 1.0 1.836 3.876 761 648 A 83 THR HB A 83 THR HG2% 1.0 1.481 2.443 762 649 A 11 LEU HB3 A 11 LEU HB2 1.0 1.540 2.624 763 650 A 6 SER HBx A 54 MET HE% 1.0 1.770 3.518 764 651 A 112 ASN HB2 A 112 ASN HB3 1.0 1.508 2.524 765 652 A 109 GLN HA A 112 ASN H 1.0 1.827 3.823 766 653 A 69 VAL HG1% A 78 ALA HA 1.0 1.648 2.994 767 654 A 64 LEU HB2 A 64 LEU HG 1.0 1.757 3.453 768 655 A 58 ASP H A 57 PHE HA 1.0 1.579 2.749 769 656 A 115 LEU HBx A 112 ASN HB2 1.0 1.861 4.029 770 657 A 52 ASN HBx A 52 ASN HD22 1.0 2.000 6.056 771 658 A 17 GLU HB2 A 17 GLU HGy 1.0 1.732 3.338 772 659 A 117 LYS HEx A 117 LYS HGx 1.0 1.816 3.756 773 660 A 4 THR H A 3 PHE HA 1.0 1.479 2.439 774 661 A 82 ARG HB3 A 82 ARG HA 1.0 1.885 4.193 775 662 A 117 LYS HD3 A 117 LYS HBx 1.0 1.769 3.513 776 662 A 117 LYS HD2 A 117 LYS HBx 1.0 1.769 3.513 777 663 A 106 LYS HD2 A 102 PHE HE% 1.0 1.821 3.785 778 663 A 106 LYS HD3 A 102 PHE HE% 1.0 1.821 3.785 779 664 A 61 GLU HBy A 62 GLY H 1.0 1.992 5.498 780 665 A 115 LEU H A 113 LEU H 1.0 1.997 6.319 781 666 A 109 GLN HGy A 109 GLN HGx 1.0 1.465 2.397 782 667 A 82 ARG HB2 A 83 THR H 1.0 1.971 5.067 783 668 A 3 PHE HB3 A 3 PHE HD% 1.0 1.614 2.870 784 669 A 52 ASN H A 52 ASN HBx 1.0 1.751 3.425 785 670 A 43 THR HA A 46 TYR HB3 1.0 1.681 3.123 786 671 A 66 ASP H A 66 ASP HA 1.0 1.878 4.150 787 672 A 44 MET H A 44 MET HA 1.0 1.833 3.857 788 673 A 55 GLN HA A 57 PHE H 1.0 1.992 5.492 789 674 A 15 ARG HGy A 15 ARG HA 1.0 1.922 4.498 790 675 A 24 ILE HD1% A 42 THR HG2% 1.0 1.508 2.526 791 676 A 87 LYS HA A 87 LYS HGx 1.0 1.821 3.781 792 677 A 86 LEU H A 85 VAL HB 1.0 1.729 3.325 793 678 A 115 LEU HD2% A 108 PHE HE% 1.0 1.647 2.991 794 679 A 47 ILE HA A 50 VAL HB 1.0 1.751 3.429 795 680 A 106 LYS HA A 109 GLN HGy 1.0 1.779 3.565 796 681 A 3 PHE H A 2 GLU HBy 1.0 1.971 6.985 797 682 A 103 ARG HGy A 103 ARG HDx 1.0 1.710 3.240 798 683 A 98 CYS HB3 A 98 CYS HA 1.0 1.760 3.466 799 684 A 20 SER H A 20 SER HA 1.0 1.900 4.308 800 685 A 25 PRO HBy A 25 PRO HBx 1.0 1.412 2.250 801 686 A 104 GLY HAy A 105 PHE H 1.0 1.981 5.239 802 687 A 109 GLN HGx A 109 GLN HE21 1.0 1.992 5.502 803 688 A 25 PRO HA A 25 PRO HBx 1.0 1.788 3.606 804 689 A 43 THR HB A 43 THR HG1 1.0 1.761 3.475 805 690 A 107 CYS H A 107 CYS HB3 1.0 1.701 3.203 806 691 A 31 LYS HA A 31 LYS HB3 1.0 1.597 2.813 807 692 A 67 ASN HD22 A 67 ASN HB2 1.0 1.815 3.749 808 693 A 61 GLU H A 60 THR H 1.0 1.830 3.840 809 694 A 12 GLN HA A 12 GLN HGy 1.0 1.732 3.342 810 694 A 12 GLN HA A 12 GLN HGx 1.0 1.732 3.342 811 695 A 103 ARG HA A 103 ARG HGy 1.0 1.803 3.687 812 696 A 32 PHE H A 32 PHE HB3 1.0 1.981 5.235 813 697 A 10 ASP H A 7 THR H 1.0 2.000 5.964 814 698 A 47 ILE H A 47 ILE HG1y 1.0 1.989 5.415 815 699 A 40 ASP H A 39 GLU H 1.0 1.999 5.859 816 700 A 57 PHE HA A 57 PHE HB2 1.0 1.786 3.596 817 701 A 10 ASP H A 7 THR H 1.0 1.995 5.597 818 702 A 113 LEU HD1% A 117 LYS H 1.0 1.996 5.662 819 703 A 69 VAL HG1% A 78 ALA HA 1.0 1.722 3.296 820 704 A 59 ASP H A 58 ASP HBx 1.0 1.999 6.167 821 705 A 5 VAL HB A 5 VAL HA 1.0 1.733 3.343 822 706 A 89 VAL HG2% A 89 VAL HB 1.0 1.507 2.519 823 707 A 105 PHE HB2 A 102 PHE HA 1.0 1.869 4.085 824 708 A 85 VAL H A 85 VAL HB 1.0 1.646 2.988 825 709 A 85 VAL HG2% A 85 VAL HB 1.0 1.516 2.548 826 710 A 84 GLU HB2 A 84 GLU H 1.0 1.844 3.924 827 711 A 22 LEU HD1% A 49 CYS HB3 1.0 1.696 3.182 828 712 A 53 LYS H A 52 ASN HBx 1.0 1.741 3.379 829 713 A 24 ILE H A 23 ASN H 1.0 1.890 4.234 830 714 A 24 ILE HD1% A 24 ILE HG1x 1.0 1.691 3.165 831 715 A 25 PRO HGx A 25 PRO HBx 1.0 1.563 2.699 832 716 A 88 CYS H A 86 LEU HA 1.0 1.992 5.516 833 717 A 69 VAL HB A 69 VAL HG1% 1.0 1.462 2.390 834 718 A 27 ASP H A 28 TYR H 1.0 1.907 4.371 835 719 A 111 ASN HB3 A 111 ASN HA 1.0 1.686 3.146 836 720 A 68 LEU HG A 68 LEU HB3 1.0 1.851 3.969 837 721 A 71 GLN H A 71 GLN HB3 1.0 1.882 4.174 838 722 A 95 ASN HA A 95 ASN H 1.0 1.503 2.511 839 723 A 7 THR H A 6 SER HA 1.0 1.668 3.072 840 724 A 10 ASP HB2 A 10 ASP HB3 1.0 1.455 2.371 841 725 A 74 HIS HBx A 74 HIS HBy 1.0 1.391 2.193 842 726 A 24 ILE HG2% A 25 PRO HDy 1.0 1.658 3.032 843 727 A 11 LEU HB3 A 11 LEU HB2 1.0 1.540 2.622 844 728 A 30 GLU HBx A 31 LYS H 1.0 1.836 3.876 845 729 A 61 GLU H A 60 THR H 1.0 1.835 3.867 846 730 A 95 ASN HD21 A 95 ASN HD22 1.0 1.528 2.586 847 731 A 25 PRO HDy A 25 PRO HDx 1.0 1.521 2.565 848 732 A 71 GLN HB2 A 72 LEU H 1.0 1.915 4.437 849 733 A 46 TYR HB2 A 46 TYR HD% 1.0 1.776 3.548 850 734 A 50 VAL HG2% A 50 VAL HA 1.0 1.544 2.638 851 735 A 39 GLU HGy A 44 MET HE% 1.0 1.638 2.958 852 735 A 39 GLU HGx A 44 MET HE% 1.0 1.638 2.958 853 736 A 110 LYS HBy A 110 LYS HGx 1.0 1.549 2.651 854 737 A 29 VAL H A 28 TYR H 1.0 1.868 4.078 855 738 A 31 LYS H A 31 LYS HB2 1.0 1.780 3.568 856 739 A 34 LYS H A 33 LYS HA 1.0 1.995 5.617 857 740 A 84 GLU HGy A 112 ASN HD22 1.0 1.984 5.296 858 741 A 55 GLN HB2 A 55 GLN HGx 1.0 1.703 3.211 859 742 A 27 ASP H A 26 ALA HB% 1.0 1.655 3.021 860 743 A 73 ALA HA A 73 ALA HB% 1.0 1.451 2.357 861 744 A 36 GLU HBx A 37 PHE H 1.0 1.964 4.956 862 744 A 36 GLU HBy A 37 PHE H 1.0 1.964 4.956 863 745 A 61 GLU HBy A 61 GLU HBx 1.0 1.446 2.346 864 746 A 43 THR HG2% A 43 THR HB 1.0 1.659 3.037 865 747 A 115 LEU HBy A 112 ASN HB2 1.0 1.873 4.113 866 748 A 69 VAL HA A 72 LEU HB2 1.0 1.912 4.412 867 749 A 56 LEU HB3 A 57 PHE H 1.0 1.997 5.671 868 750 A 24 ILE HG1y A 19 VAL HA 1.0 1.718 3.278 869 751 A 76 ARG HGx A 76 ARG HA 1.0 1.887 4.209 870 752 A 72 LEU H A 72 LEU HA 1.0 1.749 3.419 871 753 A 98 CYS HB3 A 99 HIS H 1.0 1.991 5.477 872 754 A 38 PRO HDy A 32 PHE HE% 1.0 1.775 3.541 873 755 A 37 PHE HA A 38 PRO HDx 1.0 1.698 3.190 874 756 A 61 GLU H A 60 THR HG2% 1.0 1.745 3.395 875 757 A 79 GLU HB2 A 80 GLU H 1.0 1.736 3.358 876 758 A 109 GLN HGy A 109 GLN HGx 1.0 1.459 2.379 877 759 A 81 VAL HB A 82 ARG H 1.0 1.703 3.215 878 760 A 106 LYS HBy A 106 LYS HGy 1.0 1.730 3.330 879 761 A 109 GLN HA A 109 GLN HBy 1.0 1.605 2.841 880 762 A 35 TRP H A 35 TRP HBx 1.0 1.938 4.650 881 763 A 66 ASP H A 65 VAL H 1.0 1.916 4.446 882 764 A 43 THR H A 42 THR H 1.0 1.933 4.601 883 765 A 63 PRO HGx B 1 ACD H20% 1.0 1.714 3.260 884 766 A 79 GLU HGx A 79 GLU H 1.0 1.962 4.930 885 767 A 116 ILE HG2% A 35 TRP HZ3 1.0 1.729 3.327 886 768 A 116 ILE HB A 116 ILE H 1.0 1.740 3.376 887 769 A 56 LEU HD2% A 67 ASN HB3 1.0 1.767 3.505 888 770 A 100 TRP H A 99 HIS HBy 1.0 1.997 5.721 889 771 A 94 ASP HBx A 94 ASP HBy 1.0 1.474 2.422 890 772 A 113 LEU H A 112 ASN H 1.0 1.936 4.632 891 773 A 86 LEU HD2% A 86 LEU HB3 1.0 1.493 2.481 892 774 A 69 VAL HG2% A 82 ARG HA 1.0 1.509 2.527 893 775 A 52 ASN H A 51 PHE HA 1.0 1.936 4.634 894 776 A 68 LEU HD2% A 68 LEU HB3 1.0 1.617 2.883 895 777 A 47 ILE HG2% A 48 LYS HA 1.0 1.888 4.220 896 778 A 95 ASN HA A 95 ASN HBy 1.0 1.593 2.799 897 779 A 90 ASP HB3 A 90 ASP HA 1.0 1.800 3.674 898 780 A 81 VAL HB A 81 VAL HG1% 1.0 1.484 2.454 899 781 A 81 VAL HB A 73 ALA HB% 1.0 1.755 3.447 900 782 A 27 ASP HBx A 27 ASP H 1.0 1.709 3.239 901 783 A 117 LYS HBy A 117 LYS HGx 1.0 1.734 3.352 902 784 A 84 GLU HGy A 84 GLU HA 1.0 1.823 3.797 903 785 A 82 ARG HDx A 82 ARG HDy 1.0 1.389 2.189 904 786 A 108 PHE HB2 A 108 PHE HD% 1.0 1.695 3.179 905 787 A 10 ASP HB2 A 10 ASP HB3 1.0 1.501 2.503 906 788 A 85 VAL HA A 88 CYS HB3 1.0 1.820 3.778 907 789 A 81 VAL H A 81 VAL HG2% 1.0 1.531 2.597 908 790 A 80 GLU HB3 A 77 ASP HBy 1.0 1.775 3.543 909 791 A 96 ASN H A 96 ASN HB2 1.0 1.755 3.447 910 792 A 88 CYS HB2 B 1 ACD H20% 1.0 1.785 3.591 911 793 A 29 VAL HG2% A 26 ALA HA 1.0 1.606 2.844 912 794 A 120 ILE HD1% A 120 ILE HG13 1.0 1.449 2.353 913 794 A 120 ILE HD1% A 120 ILE HG12 1.0 1.449 2.353 914 795 A 111 ASN HB3 A 112 ASN H 1.0 1.995 6.421 915 796 A 29 VAL HB A 29 VAL H 1.0 1.657 3.029 916 797 A 110 LYS H A 110 LYS HBx 1.0 1.679 3.115 917 798 A 113 LEU HD1% A 35 TRP HZ3 1.0 1.858 4.008 918 799 A 82 ARG HGy A 82 ARG HA 1.0 1.662 3.046 919 800 A 24 ILE HG2% A 24 ILE HG1x 1.0 1.699 3.195 920 801 A 47 ILE HG2% A 102 PHE HA 1.0 1.693 3.169 921 802 A 78 ALA HB% A 78 ALA H 1.0 1.523 2.571 922 803 A 35 TRP HA A 35 TRP HBy 1.0 1.719 3.281 923 804 A 45 CYS H A 44 MET HA 1.0 1.961 4.923 924 805 A 65 VAL HA A 85 VAL HG1% 1.0 1.735 3.351 925 806 A 56 LEU HD1% A 54 MET HE% 1.0 1.573 2.729 926 807 A 56 LEU HB3 A 56 LEU HD1% 1.0 1.702 3.208 927 808 A 43 THR HG2% A 38 PRO HDy 1.0 1.760 3.470 928 809 A 17 GLU HB2 A 18 CYS H 1.0 1.897 4.289 929 810 A 81 VAL HB A 81 VAL HG1% 1.0 1.575 2.739 930 811 A 49 CYS HA A 52 ASN HBx 1.0 1.737 3.365 931 812 A 89 VAL HG2% A 63 PRO HBx 1.0 1.711 3.247 932 813 A 88 CYS H A 88 CYS HB3 1.0 1.727 3.317 933 814 A 49 CYS H A 50 VAL H 1.0 1.938 4.654 934 815 A 86 LEU HD1% A 86 LEU HB2 1.0 1.517 2.553 935 816 A 105 PHE HD% A 105 PHE HB2 1.0 1.713 3.259 936 817 A 91 LYS HA A 91 LYS HGy 1.0 1.859 4.017 937 818 A 111 ASN HB3 A 111 ASN H 1.0 1.993 5.517 938 819 A 42 THR HB A 42 THR HG2% 1.0 1.523 2.571 939 820 A 108 PHE HB3 A 108 PHE HD% 1.0 1.700 3.200 940 821 A 82 ARG HGx A 82 ARG HDx 1.0 1.646 2.990 941 822 A 50 VAL H A 49 CYS HB3 1.0 1.808 3.710 942 823 A 106 LYS HBy A 106 LYS HA 1.0 1.741 3.377 943 824 A 24 ILE HG2% A 28 TYR HB2 1.0 1.615 2.875 944 825 A 44 MET HA A 44 MET HB3 1.0 1.774 3.534 945 826 A 69 VAL HB A 69 VAL HG2% 1.0 1.462 2.388 946 827 A 47 ILE HD1% A 47 ILE H 1.0 1.927 4.539 947 828 A 35 TRP HBy A 35 TRP HE3 1.0 1.823 3.799 948 829 A 116 ILE HD1% A 108 PHE HD% 1.0 1.514 2.542 949 830 A 11 LEU H A 11 LEU HB2 1.0 1.762 3.480 950 831 A 51 PHE HD% A 51 PHE HA 1.0 1.631 2.931 951 832 A 13 ARG H A 10 ASP HA 1.0 1.972 5.086 952 833 A 91 LYS H A 91 LYS HGy 1.0 1.821 3.785 953 834 A 80 GLU HB3 A 77 ASP HBy 1.0 1.742 3.384 954 835 A 44 MET HA A 44 MET HGy 1.0 1.817 3.761 955 836 A 69 VAL HA A 70 HIS H 1.0 1.992 5.512 956 837 A 24 ILE HA A 24 ILE H 1.0 1.785 3.595 957 838 A 18 CYS HB2 A 46 TYR HD% 1.0 1.863 4.041 958 839 A 108 PHE H A 107 CYS HB2 1.0 1.801 3.675 959 840 A 87 LYS H A 85 VAL H 1.0 1.998 6.250 960 841 A 105 PHE HA B 1 ACD H17y 1.0 1.739 3.375 961 842 A 116 ILE HD1% A 116 ILE HB 1.0 1.591 2.791 962 843 A 63 PRO HDy A 100 TRP HE1 1.0 2.000 6.096 963 844 A 112 ASN HB2 A 112 ASN HB3 1.0 1.526 2.580 964 845 A 117 LYS HA A 118 ALA H 1.0 1.991 5.485 965 846 A 117 LYS HGx A 117 LYS H 1.0 1.979 5.199 966 847 A 95 ASN HA A 96 ASN H 1.0 1.889 4.225 967 848 A 10 ASP HB2 A 7 THR H 1.0 1.823 3.793 968 849 A 47 ILE HG2% A 105 PHE HB3 1.0 1.751 3.427 969 850 A 23 ASN HA A 23 ASN H 1.0 1.696 3.186 970 851 A 104 GLY HAy B 1 ACD H20% 1.0 1.827 3.823 971 852 A 20 SER H A 21 SER H 1.0 1.874 4.120 972 853 A 57 PHE H A 55 GLN H 1.0 2.000 5.934 973 854 A 43 THR HG2% A 37 PHE HA 1.0 1.703 3.215 974 855 A 47 ILE HD1% A 37 PHE HE% 1.0 1.755 3.443 975 856 A 85 VAL H A 84 GLU HA 1.0 1.998 5.782 976 857 A 115 LEU HD2% A 108 PHE HE% 1.0 1.657 3.033 977 858 A 47 ILE HD1% B 1 ACD H21 1.0 1.821 3.781 978 859 A 43 THR HG2% A 43 THR HB 1.0 1.633 2.941 979 860 A 104 GLY HAx A 104 GLY H 1.0 1.696 3.184 980 861 A 82 ARG HGx A 82 ARG HA 1.0 1.796 3.646 981 862 A 3 PHE HB2 A 3 PHE HA 1.0 1.691 3.161 982 863 A 54 MET H A 53 LYS HB3 1.0 1.991 5.473 983 864 A 19 VAL HG2% A 20 SER H 1.0 2.000 5.946 984 865 A 81 VAL HG2% A 73 ALA HA 1.0 1.598 2.816 985 866 A 66 ASP H A 66 ASP HBx 1.0 1.823 3.793 986 867 A 55 GLN HA A 55 GLN HB3 1.0 1.745 3.401 987 868 A 122 LYS H A 122 LYS HBx 1.0 1.964 4.972 988 869 A 3 PHE HB3 A 3 PHE HB2 1.0 1.455 2.369 989 870 A 120 ILE HD1% A 35 TRP HZ2 1.0 1.748 3.410 990 871 A 56 LEU H A 55 GLN H 1.0 1.926 4.540 991 872 A 61 GLU HGx A 61 GLU HA 1.0 1.719 3.283 992 873 A 102 PHE HE% A 44 MET HE% 1.0 1.729 3.325 993 874 A 64 LEU HB3 A 65 VAL H 1.0 2.000 6.080 994 875 A 106 LYS HBy A 106 LYS H 1.0 1.906 4.360 995 876 A 66 ASP HBy A 66 ASP HA 1.0 1.523 2.569 996 876 A 66 ASP HA A 66 ASP HBx 1.0 1.523 2.569 997 877 A 31 LYS HDx A 31 LYS HB2 1.0 1.734 3.350 998 878 A 72 LEU HD2% A 72 LEU HA 1.0 1.568 2.716 999 879 A 64 LEU HD1% A 64 LEU HG 1.0 1.568 2.712 1000 880 A 114 SER H A 113 LEU HB2 1.0 1.999 6.177 1001 881 A 47 ILE HD1% A 46 TYR HD% 1.0 1.715 3.267 1002 882 A 83 THR HB A 83 THR HG2% 1.0 1.468 2.404 1003 883 A 41 ASP HA A 44 MET HB2 1.0 1.727 3.315 1004 884 A 22 LEU HD1% A 18 CYS HB3 1.0 1.780 3.568 1005 885 B 1 ACD H19x A 108 PHE HB2 1.0 1.813 3.741 1006 886 A 8 THR HA A 8 THR H 1.0 1.727 3.317 1007 887 A 42 THR HB A 42 THR H 1.0 1.683 3.131 1008 888 A 37 PHE HD% A 37 PHE HA 1.0 1.962 4.942 1009 889 A 115 LEU HBx A 115 LEU H 1.0 1.699 3.199 1010 890 A 93 THR H A 92 ASN HB2 1.0 1.985 6.713 1011 891 A 54 MET H A 54 MET HGy 1.0 1.821 3.787 1012 892 A 24 ILE HB A 24 ILE HG1x 1.0 1.687 3.149 1013 893 A 95 ASN HBy A 95 ASN HD21 1.0 1.815 3.753 1014 894 A 23 ASN HBy A 23 ASN HBx 1.0 1.304 1.976 1015 895 A 92 ASN HB2 A 92 ASN HA 1.0 1.719 3.281 1016 896 A 11 LEU HB3 A 8 THR HA 1.0 1.692 3.172 1017 897 A 59 ASP HB3 A 59 ASP HA 1.0 1.553 2.663 1018 897 A 59 ASP HB2 A 59 ASP HA 1.0 1.553 2.663 1019 898 A 111 ASN HB3 A 111 ASN HB2 1.0 1.388 2.188 1020 899 A 24 ILE HA A 24 ILE HD1% 1.0 1.603 2.833 1021 900 A 63 PRO HGy A 63 PRO HDx 1.0 1.738 3.366 1022 901 A 86 LEU H A 86 LEU HB2 1.0 1.681 3.125 1023 902 A 81 VAL HG2% A 73 ALA HB% 1.0 1.514 2.542 1024 903 A 117 LYS HGx A 117 LYS HA 1.0 1.755 3.441 1025 904 A 49 CYS H A 50 VAL H 1.0 1.921 4.489 1026 905 A 24 ILE HD1% A 42 THR HG2% 1.0 1.558 2.682 1027 906 A 109 GLN HA A 113 LEU H 1.0 1.996 5.644 1028 907 A 50 VAL HG2% A 18 CYS HB3 1.0 1.886 4.200 1029 908 A 31 LYS HDx A 31 LYS HDy 1.0 1.536 2.612 1030 909 A 108 PHE HA A 108 PHE HB2 1.0 1.797 3.655 1031 910 A 62 GLY H A 62 GLY HAx 1.0 1.897 4.287 1032 911 A 19 VAL HG2% A 29 VAL HG2% 1.0 1.505 2.515 1033 912 A 73 ALA H A 73 ALA HB% 1.0 1.646 2.986 1034 913 A 85 VAL HA A 87 LYS H 1.0 1.999 6.215 1035 914 A 28 TYR HA A 28 TYR HB2 1.0 1.876 4.132 1036 915 A 58 ASP HBy A 64 LEU HD2% 1.0 1.625 2.911 1037 916 A 118 ALA H A 118 ALA HA 1.0 1.888 4.218 1038 917 A 76 ARG HB3 A 76 ARG HB2 1.0 1.442 2.332 1039 918 A 32 PHE HB3 A 32 PHE HA 1.0 1.776 3.544 1040 919 A 7 THR H A 6 SER HBx 1.0 1.996 5.638 1041 920 A 65 VAL HG1% A 82 ARG HA 1.0 1.854 3.984 1042 921 A 88 CYS HB2 A 88 CYS HA 1.0 1.658 3.036 1043 922 A 24 ILE HA A 24 ILE HB 1.0 1.852 3.976 1044 923 A 104 GLY HAy A 107 CYS H 1.0 2.000 5.988 1045 924 A 105 PHE HB3 A 105 PHE H 1.0 1.897 4.287 1046 925 A 100 TRP H A 100 TRP HB2 1.0 1.781 3.573 1047 926 A 47 ILE H A 46 TYR HB2 1.0 1.988 5.398 1048 927 A 28 TYR HA A 28 TYR H 1.0 1.720 3.290 1049 928 A 56 LEU H A 55 GLN H 1.0 1.913 4.419 1050 929 A 17 GLU HB3 A 17 GLU HGx 1.0 1.618 2.886 1051 930 A 71 GLN HGx A 71 GLN HE21 1.0 1.896 4.278 1052 931 A 122 LYS HA A 123 ASP H 1.0 1.508 2.522 1053 932 A 2 GLU HG3 A 2 GLU HBy 1.0 1.553 2.663 1054 932 A 2 GLU HG2 A 2 GLU HBy 1.0 1.553 2.663 1055 933 A 47 ILE HG2% A 48 LYS H 1.0 1.974 5.118 1056 934 A 19 VAL HG1% A 19 VAL HB 1.0 1.604 2.836 1057 935 A 73 ALA HB% A 78 ALA HA 1.0 1.654 3.016 1058 936 A 113 LEU HA A 116 ILE HD1% 1.0 1.691 3.161 1059 937 A 64 LEU HD2% A 64 LEU HA 1.0 1.491 2.473 1060 938 A 15 ARG HD3 A 15 ARG HGx 1.0 1.772 3.526 1061 938 A 15 ARG HD2 A 15 ARG HGx 1.0 1.772 3.526 1062 939 A 106 LYS HE3 A 106 LYS HGx 1.0 1.742 3.386 1063 939 A 106 LYS HE2 A 106 LYS HGx 1.0 1.742 3.386 1064 940 A 17 GLU HGy A 17 GLU HGx 1.0 1.420 2.272 1065 941 A 25 PRO HDy A 42 THR HG2% 1.0 1.840 3.896 1066 942 A 25 PRO HBy A 25 PRO HGy 1.0 1.535 2.609 1067 943 A 43 THR H A 42 THR HG2% 1.0 1.848 3.952 1068 944 A 36 GLU HBx A 36 GLU H 1.0 1.740 3.378 1069 945 A 122 LYS HA A 122 LYS HBx 1.0 1.605 2.839 1070 946 A 107 CYS HB3 A 107 CYS HA 1.0 1.731 3.337 1071 947 A 17 GLU HGy A 17 GLU HGx 1.0 1.475 2.427 1072 948 A 24 ILE H A 24 ILE HD1% 1.0 1.793 3.635 1073 949 A 10 ASP H A 10 ASP HB3 1.0 1.958 4.884 1074 950 A 64 LEU HB3 A 64 LEU HA 1.0 1.707 3.231 1075 951 A 26 ALA HA A 29 VAL HB 1.0 1.715 3.265 1076 952 A 30 GLU H A 29 VAL HB 1.0 1.747 3.407 1077 953 A 19 VAL HB A 19 VAL HA 1.0 1.841 3.903 1078 954 A 107 CYS HB3 A 107 CYS HA 1.0 1.660 3.040 1079 955 A 42 THR HB A 42 THR HG2% 1.0 1.588 2.782 1080 956 A 5 VAL HA A 5 VAL H 1.0 1.885 4.197 1081 957 A 53 LYS HB3 A 14 TYR HB3 1.0 1.886 4.202 1082 958 A 110 LYS HGx A 110 LYS HE2 1.0 1.705 3.221 1083 958 A 110 LYS HGx A 110 LYS HE3 1.0 1.705 3.221 1084 959 A 82 ARG HGy A 82 ARG HDy 1.0 1.795 3.639 1085 960 A 105 PHE HD% A 106 LYS H 1.0 1.998 6.246 1086 961 A 61 GLU HBx A 61 GLU HA 1.0 1.635 2.949 1087 962 A 87 LYS HGy A 87 LYS HA 1.0 1.730 3.332 1088 963 A 18 CYS HA A 18 CYS HB3 1.0 1.618 2.884 1089 964 A 58 ASP H A 57 PHE HB3 1.0 1.998 6.302 1090 965 A 78 ALA H A 77 ASP HBx 1.0 2.000 6.010 1091 966 A 72 LEU HG A 72 LEU HA 1.0 1.787 3.605 1092 967 A 112 ASN HD22 A 112 ASN HB3 1.0 1.966 4.984 1093 968 A 72 LEU HB3 A 72 LEU HD2% 1.0 1.677 3.109 1094 969 A 70 HIS HD2 A 70 HIS H 1.0 1.824 3.802 1095 970 A 89 VAL HB A 89 VAL H 1.0 1.634 2.942 1096 971 A 72 LEU HD1% A 108 PHE HZ 1.0 1.618 2.886 1097 972 A 116 ILE HA A 116 ILE HG1x 1.0 1.751 3.425 1098 973 A 102 PHE HB2 A 102 PHE HA 1.0 1.624 2.906 1099 974 A 82 ARG HB2 A 82 ARG HA 1.0 1.641 2.969 1100 975 A 96 ASN HD22 A 96 ASN HB3 1.0 1.829 3.833 1101 976 A 44 MET H A 44 MET HGx 1.0 1.975 5.131 1102 977 A 100 TRP HB2 A 101 ALA H 1.0 1.964 4.964 1103 978 A 86 LEU HB2 A 87 LYS H 1.0 1.899 4.299 1104 979 A 24 ILE HG2% A 25 PRO HDy 1.0 1.681 3.125 1105 980 A 72 LEU HD2% A 72 LEU HA 1.0 1.586 2.772 1106 981 A 111 ASN HB3 A 111 ASN HB2 1.0 1.379 2.163 1107 982 A 105 PHE HD% A 105 PHE HA 1.0 1.592 2.794 1108 983 A 119 SER H A 118 ALA HB% 1.0 1.669 3.073 1109 984 A 39 GLU HA A 39 GLU H 1.0 1.755 3.443 1110 985 A 14 TYR HD% A 14 TYR HB2 1.0 1.717 3.273 1111 986 A 17 GLU HB2 A 17 GLU H 1.0 1.849 3.951 1112 987 A 39 GLU HA A 39 GLU HBx 1.0 1.585 2.771 1113 988 A 44 MET HA A 44 MET HGx 1.0 1.733 3.343 1114 989 A 51 PHE HA A 54 MET HB2 1.0 1.852 3.976 1115 990 A 38 PRO HBx A 39 GLU H 1.0 1.855 3.995 1116 991 A 28 TYR HB3 A 32 PHE HE% 1.0 1.739 3.371 1117 992 A 50 VAL HG2% A 15 ARG HA 1.0 1.811 3.727 1118 993 A 95 ASN HA A 95 ASN HBy 1.0 1.609 2.855 1119 994 A 98 CYS H A 98 CYS HB2 1.0 1.766 3.498 1120 995 A 38 PRO HBx A 38 PRO HGx 1.0 1.626 2.914 1121 996 A 116 ILE HA A 72 LEU HD2% 1.0 1.598 2.816 1122 997 A 56 LEU HB3 A 56 LEU HG 1.0 1.838 3.884 1123 998 A 22 LEU HD2% A 22 LEU HB3 1.0 1.569 2.719 1124 999 A 39 GLU HBx A 39 GLU H 1.0 1.732 3.336 1125 1000 A 82 ARG H A 78 ALA HA 1.0 2.000 6.090 1126 1001 A 106 LYS HGx A 106 LYS HGy 1.0 1.423 2.281 1127 1002 A 67 ASN HB3 A 67 ASN H 1.0 1.950 4.790 1128 1003 A 43 THR HB A 43 THR H 1.0 1.753 3.433 1129 1004 A 82 ARG HGy A 82 ARG HDy 1.0 1.662 3.048 1130 1005 A 21 SER H A 21 SER HA 1.0 1.922 4.500 1131 1006 A 69 VAL HB A 70 HIS H 1.0 1.740 3.374 1132 1007 A 102 PHE H A 102 PHE HA 1.0 1.725 3.309 1133 1008 A 78 ALA HB% A 78 ALA HA 1.0 1.449 2.353 1134 1009 A 72 LEU HD2% A 72 LEU H 1.0 1.963 4.955 1135 1010 A 30 GLU HBy A 30 GLU HA 1.0 1.511 2.533 1136 1011 A 67 ASN HD21 A 67 ASN HA 1.0 1.943 7.409 1137 1012 A 96 ASN H A 96 ASN HB3 1.0 1.977 5.167 1138 1013 A 67 ASN HA A 70 HIS H 1.0 1.981 5.239 1139 1014 A 81 VAL H A 78 ALA HA 1.0 1.988 5.412 1140 1015 A 9 GLU HA A 9 GLU H 1.0 1.705 3.221 1141 1016 A 50 VAL HG2% A 51 PHE H 1.0 1.988 5.372 1142 1017 A 91 LYS H A 90 ASP HB3 1.0 1.925 4.523 1143 1018 A 56 LEU HD1% A 56 LEU HG 1.0 1.597 2.813 1144 1019 A 35 TRP HA A 35 TRP HBy 1.0 1.754 3.438 1145 1020 A 103 ARG HBy A 103 ARG H 1.0 1.767 3.499 1146 1021 A 31 LYS H A 31 LYS HA 1.0 1.762 3.482 1147 1022 A 3 PHE H A 3 PHE HB2 1.0 1.747 3.405 1148 1023 A 5 VAL HB A 5 VAL HGy% 1.0 1.468 2.406 1149 1023 A 5 VAL HB A 5 VAL HGx% 1.0 1.468 2.406 1150 1024 A 54 MET HGx A 54 MET HB2 1.0 1.879 4.157 1151 1025 A 101 ALA HB% A 47 ILE HG2% 1.0 1.712 3.250 1152 1026 A 88 CYS H A 85 VAL HA 1.0 2.000 5.956 1153 1027 A 11 LEU HD1% A 11 LEU HA 1.0 1.546 2.642 1154 1028 A 31 LYS HA A 32 PHE H 1.0 1.993 5.535 1155 1029 A 69 VAL HA A 72 LEU H 1.0 1.991 5.451 1156 1030 A 94 ASP HBx A 94 ASP HBy 1.0 1.476 2.428 1157 1031 A 41 ASP H A 41 ASP HB3 1.0 1.847 3.941 1158 1032 A 73 ALA H A 74 HIS H 1.0 1.965 4.983 1159 1033 A 43 THR HA A 43 THR H 1.0 1.793 3.633 1160 1034 A 50 VAL H A 48 LYS H 1.0 1.997 6.309 1161 1035 A 73 ALA HA A 76 ARG HB2 1.0 1.784 3.588 1162 1036 A 59 ASP HB2 A 60 THR H 1.0 1.849 3.953 1163 1036 A 59 ASP HB3 A 60 THR H 1.0 1.849 3.953 1164 1037 A 23 ASN HD21 A 23 ASN HD22 1.0 1.501 2.503 1165 1038 A 25 PRO HDy A 42 THR HG2% 1.0 1.751 3.423 1166 1039 A 95 ASN HBx A 95 ASN HD22 1.0 1.973 5.085 1167 1040 A 72 LEU HB3 A 72 LEU H 1.0 1.961 4.929 1168 1041 A 38 PRO HDy A 38 PRO HGx 1.0 1.802 3.680 1169 1042 A 55 GLN HB2 A 55 GLN HGx 1.0 1.630 2.928 1170 1043 A 81 VAL HB A 78 ALA HA 1.0 1.726 3.312 1171 1044 A 90 ASP HB2 A 90 ASP HA 1.0 1.776 3.546 1172 1045 A 28 TYR HD% A 28 TYR H 1.0 1.522 2.568 1173 1046 A 66 ASP H A 66 ASP HBy 1.0 1.653 3.017 1174 1047 A 81 VAL HA A 81 VAL HG2% 1.0 1.528 2.588 1175 1048 A 121 LYS HBy A 118 ALA HA 1.0 1.811 3.729 1176 1049 A 73 ALA H A 72 LEU HA 1.0 1.992 5.494 1177 1050 A 86 LEU HD1% A 83 THR HA 1.0 1.613 2.867 1178 1051 A 40 ASP H A 40 ASP HBx 1.0 2.000 5.856 1179 1052 A 109 GLN HBx A 109 GLN HBy 1.0 1.450 2.354 1180 1053 A 99 HIS HBy A 96 ASN HB2 1.0 1.929 4.559 1181 1054 A 88 CYS HB2 A 88 CYS HA 1.0 1.785 3.589 1182 1055 A 92 ASN H A 100 TRP HE1 1.0 1.964 7.108 1183 1056 A 19 VAL HG1% A 19 VAL H 1.0 1.958 4.882 1184 1057 A 117 LYS HGx A 117 LYS HA 1.0 1.666 3.066 1185 1058 A 106 LYS HA A 109 GLN HGy 1.0 1.706 3.226 1186 1059 A 24 ILE HB A 24 ILE H 1.0 1.834 3.862 1187 1060 A 48 LYS HA A 48 LYS HB2 1.0 1.868 4.076 1188 1061 A 73 ALA H A 73 ALA HB% 1.0 1.501 2.503 1189 1062 A 98 CYS HB2 A 98 CYS HA 1.0 1.794 3.640 1190 1063 A 56 LEU HD2% A 71 GLN HB2 1.0 1.842 3.908 1191 1064 A 84 GLU H A 83 THR HG2% 1.0 1.758 3.460 1192 1065 A 15 ARG H A 17 GLU H 1.0 1.994 6.422 1193 1066 A 105 PHE HB3 A 105 PHE HA 1.0 1.739 3.369 1194 1067 A 54 MET HB3 A 54 MET HGy 1.0 1.875 4.125 1195 1068 A 69 VAL HG2% A 69 VAL H 1.0 1.522 2.568 1196 1069 A 55 GLN HA A 55 GLN H 1.0 1.512 2.538 1197 1070 A 72 LEU HD2% B 1 ACD H11 1.0 1.733 3.341 1198 1071 A 96 ASN HB2 A 96 ASN HA 1.0 1.921 4.491 1199 1072 A 28 TYR HB3 A 29 VAL H 1.0 1.992 5.476 1200 1073 A 37 PHE H A 37 PHE HD% 1.0 1.579 2.749 1201 1074 A 40 ASP H A 44 MET HE% 1.0 1.694 3.178 1202 1075 A 19 VAL HG1% A 20 SER HA 1.0 1.759 3.463 1203 1076 A 57 PHE HA A 57 PHE HB3 1.0 1.893 4.259 1204 1077 A 116 ILE HB A 116 ILE HG2% 1.0 1.567 2.711 1205 1078 A 84 GLU H A 83 THR HB 1.0 1.659 3.035 1206 1079 A 62 GLY HAy A 63 PRO HDx 1.0 1.735 3.353 1207 1080 A 86 LEU HD1% A 83 THR HA 1.0 1.687 3.149 1208 1081 A 117 LYS HEx A 117 LYS HEy 1.0 1.412 2.250 1209 1082 A 50 VAL HG2% A 50 VAL HG1% 1.0 1.464 2.396 1210 1083 A 109 GLN HBx A 109 GLN HBy 1.0 1.454 2.366 1211 1084 A 47 ILE HG2% A 105 PHE H 1.0 1.993 6.481 1212 1085 A 87 LYS HGy A 87 LYS HGx 1.0 1.538 2.618 1213 1086 A 39 GLU HA A 39 GLU HGy 1.0 1.708 3.234 1214 1087 A 38 PRO HBx A 39 GLU H 1.0 1.883 4.181 1215 1088 A 12 GLN HBy A 12 GLN HGx 1.0 1.638 2.958 1216 1088 A 12 GLN HGy A 12 GLN HBy 1.0 1.638 2.958 1217 1089 A 38 PRO HBx A 38 PRO HA 1.0 1.533 2.601 1218 1090 A 58 ASP H A 57 PHE HB2 1.0 2.000 6.090 1219 1091 A 113 LEU HD2% A 113 LEU HG 1.0 1.624 2.908 1220 1092 A 87 LYS HD2 A 87 LYS HGx 1.0 1.630 2.928 1221 1092 A 87 LYS HD3 A 87 LYS HGx 1.0 1.630 2.928 1222 1093 A 63 PRO HA A 63 PRO HBy 1.0 1.635 2.945 1223 1094 A 80 GLU HA A 80 GLU HGx 1.0 1.747 3.409 1224 1095 A 26 ALA HA A 29 VAL H 1.0 1.975 5.133 1225 1096 A 62 GLY HAx A 63 PRO HDx 1.0 1.701 3.209 1226 1097 A 85 VAL HG1% A 86 LEU HA 1.0 1.814 3.744 1227 1098 A 47 ILE HG2% A 102 PHE HA 1.0 1.737 3.361 1228 1099 A 38 PRO HDy A 38 PRO HBy 1.0 1.786 3.596 1229 1100 A 111 ASN HB3 A 111 ASN HD21 1.0 1.978 5.184 1230 1101 A 63 PRO HBy A 63 PRO HBx 1.0 1.502 2.506 1231 1102 A 116 ILE HD1% A 116 ILE HG1x 1.0 1.517 2.551 1232 1103 A 55 GLN HA A 55 GLN HGy 1.0 1.698 3.192 1233 1104 A 53 LYS HA A 53 LYS HB2 1.0 1.846 3.930 1234 1105 A 40 ASP H A 39 GLU HA 1.0 1.547 2.645 1235 1106 A 27 ASP H A 27 ASP HBy 1.0 1.721 3.293 1236 1107 A 19 VAL HB A 16 THR HA 1.0 1.609 2.855 1237 1108 A 69 VAL HG1% A 69 VAL HA 1.0 1.550 2.656 1238 1109 A 24 ILE HG2% A 42 THR HG2% 1.0 1.667 3.069 1239 1110 A 15 ARG H A 15 ARG HB2 1.0 1.941 4.685 1240 1111 A 63 PRO HGy B 1 ACD H20% 1.0 1.709 3.239 1241 1112 A 69 VAL HG1% A 78 ALA HB% 1.0 1.482 2.446 1242 1113 A 62 GLY H A 61 GLU HA 1.0 1.965 4.983 1243 1114 A 106 LYS HA A 109 GLN HGx 1.0 1.731 3.335 1244 1115 A 65 VAL HG2% A 65 VAL HB 1.0 1.454 2.368 1245 1116 A 47 ILE HD1% A 105 PHE HE% 1.0 1.680 3.120 1246 1117 A 81 VAL HB A 78 ALA HA 1.0 1.602 2.828 1247 1118 A 65 VAL HA A 68 LEU HD1% 1.0 1.633 2.943 1248 1119 A 123 ASP H A 123 ASP HBx 1.0 1.745 3.399 1249 1120 A 30 GLU H A 29 VAL HA 1.0 1.991 5.471 1250 1121 A 101 ALA HB% A 101 ALA H 1.0 1.506 2.518 1251 1122 A 38 PRO HDx A 38 PRO HGy 1.0 1.774 3.540 1252 1123 A 28 TYR HA A 28 TYR HB3 1.0 1.799 3.661 1253 1124 A 14 TYR HD% A 54 MET HGx 1.0 1.718 3.276 1254 1125 A 102 PHE HD% A 102 PHE HA 1.0 1.713 3.255 1255 1126 A 24 ILE HB A 19 VAL HA 1.0 1.747 3.411 1256 1127 A 22 LEU HD2% A 22 LEU HA 1.0 1.438 2.322 1257 1128 A 74 HIS HBy A 74 HIS HA 1.0 1.743 3.387 1258 1129 A 25 PRO HDy A 25 PRO HDx 1.0 1.477 2.433 1259 1130 A 31 LYS H A 31 LYS HA 1.0 1.886 4.206 1260 1131 A 115 LEU HD2% A 108 PHE HZ 1.0 1.573 2.729 1261 1132 A 46 TYR HA A 49 CYS HB3 1.0 1.856 3.996 1262 1133 A 47 ILE HB A 47 ILE HG1x 1.0 1.796 3.650 1263 1134 A 101 ALA HA A 104 GLY H 1.0 1.941 4.693 1264 1135 A 62 GLY HAy A 63 PRO HDx 1.0 1.738 3.368 1265 1136 A 117 LYS HBx A 117 LYS HGx 1.0 1.821 3.785 1266 1137 A 84 GLU H A 84 GLU HA 1.0 1.754 3.442 1267 1138 A 103 ARG HBy A 103 ARG HA 1.0 1.800 3.674 1268 1139 A 16 THR H A 13 ARG HA 1.0 1.998 5.738 1269 1140 A 5 VAL HGy% A 3 PHE HE% 1.0 1.598 2.816 1270 1141 A 25 PRO HA A 25 PRO HBy 1.0 1.508 2.524 1271 1142 A 99 HIS HBx A 96 ASN HB2 1.0 1.927 4.545 1272 1143 A 11 LEU HA A 14 TYR HD% 1.0 1.701 3.207 1273 1144 A 50 VAL HB A 51 PHE H 1.0 1.784 3.590 1274 1145 A 115 LEU HD1% A 115 LEU HA 1.0 1.536 2.612 1275 1146 A 80 GLU HGy A 80 GLU HGx 1.0 1.277 1.911 1276 1147 A 98 CYS HB3 A 98 CYS HA 1.0 1.814 3.746 1277 1148 A 120 ILE HG12 A 120 ILE HB 1.0 1.663 3.051 1278 1149 A 30 GLU H A 32 PHE H 1.0 1.979 6.839 1279 1150 A 79 GLU HGx A 79 GLU HA 1.0 1.634 2.942 1280 1151 A 104 GLY HAy A 107 CYS HB2 1.0 1.841 3.899 1281 1152 A 41 ASP H A 40 ASP HBx 1.0 1.871 4.093 1282 1153 A 35 TRP H A 34 LYS H 1.0 1.921 4.487 1283 1154 A 56 LEU HD2% A 56 LEU HG 1.0 1.591 2.789 1284 1155 A 83 THR H A 83 THR HB 1.0 1.565 2.707 1285 1156 A 82 ARG H A 82 ARG HB2 1.0 1.744 3.394 1286 1157 A 121 LYS HG2 A 121 LYS HA 1.0 1.653 3.013 1287 1157 A 121 LYS HG3 A 121 LYS HA 1.0 1.653 3.013 1288 1158 A 71 GLN HB2 A 71 GLN HGx 1.0 1.803 3.683 1289 1159 A 95 ASN HBy A 95 ASN HD22 1.0 1.988 5.398 1290 1160 A 108 PHE HB2 B 1 ACD H17x 1.0 1.889 4.223 1291 1161 A 48 LYS HG2 A 48 LYS HA 1.0 1.620 2.892 1292 1161 A 48 LYS HG3 A 48 LYS HA 1.0 1.620 2.892 1293 1162 A 90 ASP H A 100 TRP HE1 1.0 1.961 4.925 1294 1163 A 60 THR HG2% A 60 THR HB 1.0 1.467 2.405 1295 1164 A 87 LYS HGy A 87 LYS HGx 1.0 1.525 2.575 1296 1165 A 32 PHE HA A 32 PHE HB2 1.0 1.829 3.833 1297 1166 A 105 PHE HB2 A 105 PHE HA 1.0 1.811 3.733 1298 1167 A 60 THR HB A 60 THR H 1.0 1.598 2.816 1299 1168 A 53 LYS HG3 A 53 LYS HA 1.0 1.781 3.573 1300 1168 A 53 LYS HG2 A 53 LYS HA 1.0 1.781 3.573 1301 1169 A 113 LEU H A 112 ASN H 1.0 1.973 5.107 1302 1170 A 122 LYS H A 122 LYS HBy 1.0 1.919 4.469 1303 1171 A 31 LYS HB3 A 31 LYS HGx 1.0 1.774 3.540 1304 1172 A 16 THR HG2% A 16 THR HB 1.0 1.478 2.434 1305 1173 A 55 GLN HA A 55 GLN HB2 1.0 1.781 3.571 1306 1174 A 23 ASN HD21 A 23 ASN HBx 1.0 1.982 5.256 1307 1175 A 13 ARG HA A 14 TYR H 1.0 1.993 5.511 1308 1176 A 48 LYS H A 46 TYR H 1.0 1.994 6.450 1309 1177 A 20 SER H A 18 CYS H 1.0 1.985 6.699 1310 1178 A 8 THR HA A 120 ILE HB 1.0 1.861 4.033 1311 1179 A 90 ASP H A 90 ASP HA 1.0 1.790 3.614 1312 1180 A 64 LEU HD1% A 64 LEU HG 1.0 1.614 2.872 1313 1181 A 50 VAL HG1% A 50 VAL H 1.0 1.959 4.899 1314 1182 A 64 LEU HB2 A 64 LEU H 1.0 1.846 3.932 1315 1183 A 3 PHE HB3 A 4 THR H 1.0 1.998 5.738 1316 1184 A 7 THR HG2% A 7 THR HA 1.0 1.645 2.983 1317 1185 A 103 ARG HA A 106 LYS HBx 1.0 1.772 3.526 1318 1186 A 43 THR HA A 43 THR HB 1.0 1.832 3.848 1319 1187 A 37 PHE HB2 A 37 PHE HA 1.0 1.698 3.192 1320 1187 A 37 PHE HB3 A 37 PHE HA 1.0 1.698 3.192 1321 1188 A 12 GLN H A 12 GLN HGx 1.0 1.778 3.554 1322 1189 A 15 ARG H A 50 VAL HG2% 1.0 1.991 6.557 1323 1190 A 41 ASP HA A 42 THR H 1.0 1.990 5.444 1324 1191 A 35 TRP H A 35 TRP HBx 1.0 1.987 5.355 1325 1192 A 64 LEU HD2% A 58 ASP HBx 1.0 1.614 2.868 1326 1193 A 3 PHE H A 2 GLU HA 1.0 1.455 2.369 1327 1194 A 29 VAL HG1% A 29 VAL HB 1.0 1.461 2.387 1328 1195 A 62 GLY H A 58 ASP H 1.0 1.990 5.428 1329 1196 A 64 LEU HD2% A 64 LEU HA 1.0 1.458 2.376 1330 1197 A 5 VAL H A 4 THR H 1.0 1.996 6.350 1331 1198 A 26 ALA HA A 27 ASP H 1.0 1.984 5.310 1332 1199 A 74 HIS HBx A 74 HIS HBy 1.0 1.397 2.211 1333 1200 A 11 LEU HA A 11 LEU HB2 1.0 1.627 2.917 1334 1201 A 120 ILE HB A 120 ILE HG2% 1.0 1.514 2.542 1335 1202 A 64 LEU HB2 A 64 LEU HD1% 1.0 1.661 3.043 1336 1203 A 26 ALA H A 25 PRO HBx 1.0 1.991 5.473 1337 1204 A 18 CYS HA A 18 CYS HB2 1.0 1.846 3.936 1338 1205 A 82 ARG H A 82 ARG HB3 1.0 1.777 3.551 1339 1206 A 12 GLN HA A 12 GLN HGy 1.0 1.762 3.476 1340 1207 A 121 LYS HBx A 121 LYS H 1.0 1.711 3.247 1341 1208 A 64 LEU HD2% A 64 LEU HB3 1.0 1.562 2.696 1342 1209 A 40 ASP H A 43 THR H 1.0 1.993 6.463 1343 1210 A 115 LEU HBx A 116 ILE H 1.0 1.843 3.919 1344 1211 A 28 TYR HD% A 28 TYR HB2 1.0 1.735 3.353 1345 1212 A 5 VAL HGx% A 6 SER H 1.0 1.672 3.092 1346 1213 A 115 LEU HBx A 116 ILE H 1.0 1.846 3.930 1347 1214 A 61 GLU H A 60 THR HB 1.0 1.610 2.858 1348 1215 A 12 GLN HA A 12 GLN HBx 1.0 1.668 3.072 1349 1216 A 46 TYR HA A 46 TYR HB2 1.0 1.662 3.050 1350 1217 A 117 LYS HBx A 114 SER HA 1.0 1.749 3.415 1351 1218 A 112 ASN HA A 113 LEU H 1.0 1.750 3.422 1352 1219 A 112 ASN HD21 A 112 ASN H 1.0 1.998 5.794 1353 1220 A 91 LYS H A 91 LYS HBy 1.0 1.794 3.640 1354 1221 A 54 MET HGx A 54 MET HE% 1.0 1.614 2.870 1355 1222 A 115 LEU HBy A 115 LEU HA 1.0 1.706 3.226 1356 1223 A 29 VAL HA A 32 PHE H 1.0 1.984 5.294 1357 1224 A 47 ILE HD1% A 47 ILE HG1y 1.0 1.634 2.942 1358 1225 A 62 GLY HAx A 63 PRO HDy 1.0 1.643 2.977 1359 1226 A 88 CYS HB3 B 1 ACD H19y 1.0 1.873 4.107 1360 1227 A 79 GLU H A 78 ALA HA 1.0 1.950 4.790 1361 1228 A 118 ALA HA A 118 ALA HB% 1.0 1.426 2.286 1362 1229 A 5 VAL H A 6 SER H 1.0 1.986 6.682 1363 1230 A 93 THR H A 92 ASN HA 1.0 1.709 3.239 1364 1231 A 72 LEU HD1% A 72 LEU HG 1.0 1.689 3.159 1365 1232 A 26 ALA H A 25 PRO HBy 1.0 1.963 4.947 1366 1233 A 50 VAL HG1% A 51 PHE HD% 1.0 1.681 3.125 1367 1234 A 116 ILE HD1% A 105 PHE HE% 1.0 1.714 3.262 1368 1235 A 101 ALA HB% A 48 LYS H 1.0 1.993 5.525 1369 1236 A 31 LYS H A 32 PHE H 1.0 1.847 3.941 1370 1237 A 84 GLU H A 83 THR HA 1.0 1.995 5.621 1371 1238 A 64 LEU HD2% A 64 LEU H 1.0 1.945 4.721 1372 1239 A 18 CYS H A 18 CYS HB3 1.0 1.951 4.799 1373 1240 A 47 ILE HA A 47 ILE HB 1.0 1.807 3.709 1374 1241 A 65 VAL HA A 68 LEU HB2 1.0 1.653 3.015 1375 1242 A 49 CYS H A 46 TYR HA 1.0 1.995 5.589 1376 1243 A 116 ILE HD1% A 109 GLN HA 1.0 1.683 3.133 1377 1244 A 40 ASP H A 39 GLU H 1.0 1.999 5.935 1378 1245 A 116 ILE HG2% A 105 PHE HE% 1.0 1.772 3.526 1379 1246 A 24 ILE HD1% A 24 ILE HG1x 1.0 1.604 2.834 1380 1247 A 42 THR HG2% A 42 THR HA 1.0 1.582 2.760 1381 1248 A 33 LYS H A 32 PHE HB2 1.0 1.974 5.128 1382 1249 A 95 ASN HBx A 95 ASN HD22 1.0 1.919 4.471 1383 1250 A 57 PHE HD% A 57 PHE HB2 1.0 1.682 3.130 1384 1251 A 25 PRO HBy A 25 PRO HGy 1.0 1.674 3.096 1385 1252 A 51 PHE HB2 A 51 PHE HA 1.0 1.925 4.527 1386 1253 A 25 PRO HDx A 25 PRO HGy 1.0 1.672 3.086 1387 1254 A 68 LEU HD1% A 64 LEU H 1.0 1.820 3.780 1388 1255 A 17 GLU HA A 17 GLU HB3 1.0 1.764 3.488 1389 1256 A 105 PHE HA A 105 PHE H 1.0 1.758 3.458 1390 1257 A 12 GLN HBx A 12 GLN HGx 1.0 1.613 2.865 1391 1257 A 12 GLN HBy A 12 GLN HGx 1.0 1.613 2.865 1392 1258 A 44 MET HA A 44 MET HB2 1.0 1.813 3.737 1393 1259 A 38 PRO HDy A 38 PRO HGy 1.0 1.706 3.226 1394 1259 A 38 PRO HDy A 38 PRO HGx 1.0 1.706 3.226 1395 1260 A 23 ASN HBy A 23 ASN HA 1.0 1.593 2.797 1396 1261 A 5 VAL HGx% A 71 GLN HE21 1.0 1.845 3.933 1397 1262 A 52 ASN H A 57 PHE HB3 1.0 1.995 6.407 1398 1263 A 11 LEU H A 11 LEU HA 1.0 1.741 3.381 1399 1264 A 63 PRO HDx A 100 TRP HE1 1.0 1.964 4.960 1400 1265 A 82 ARG HB2 A 82 ARG HA 1.0 1.825 3.805 1401 1266 A 86 LEU HA A 86 LEU HG 1.0 1.792 3.626 1402 1267 A 101 ALA HB% A 103 ARG H 1.0 1.979 6.839 1403 1268 A 117 LYS HBx A 117 LYS HA 1.0 1.795 3.647 1404 1269 A 115 LEU HD1% A 115 LEU HA 1.0 1.529 2.589 1405 1270 A 113 LEU HD1% A 113 LEU HG 1.0 1.516 2.550 1406 1271 A 22 LEU HB3 A 22 LEU HA 1.0 1.790 3.618 1407 1272 A 72 LEU HB2 A 72 LEU H 1.0 1.785 3.593 1408 1273 A 15 ARG H A 14 TYR HB3 1.0 1.996 5.636 1409 1274 A 115 LEU HD2% A 108 PHE HZ 1.0 1.577 2.745 1410 1275 A 119 SER H A 119 SER HBx 1.0 1.767 3.499 1411 1276 A 89 VAL HG2% A 89 VAL H 1.0 1.629 2.925 1412 1277 A 46 TYR HE% A 15 ARG HA 1.0 1.748 3.410 1413 1278 A 101 ALA HB% A 48 LYS HB3 1.0 1.815 3.753 1414 1279 A 31 LYS HDy A 31 LYS HB3 1.0 1.782 3.574 1415 1280 A 54 MET HA A 54 MET HB2 1.0 1.946 4.736 1416 1281 A 82 ARG HGy A 82 ARG HA 1.0 1.785 3.593 1417 1282 A 122 LYS HA A 122 LYS HBx 1.0 1.704 3.216 1418 1283 A 29 VAL HG2% A 29 VAL H 1.0 1.501 2.503 1419 1284 A 119 SER H A 121 LYS H 1.0 2.000 6.032 1420 1285 A 5 VAL HB A 5 VAL HGx% 1.0 1.448 2.348 1421 1286 A 80 GLU HB3 A 80 GLU HA 1.0 1.598 2.818 1422 1286 A 80 GLU HB2 A 80 GLU HA 1.0 1.598 2.818 1423 1287 A 22 LEU HG A 22 LEU HA 1.0 1.782 3.578 1424 1288 A 72 LEU HB2 A 72 LEU HD1% 1.0 1.660 3.044 1425 1289 A 120 ILE HG13 A 120 ILE HG2% 1.0 1.582 2.762 1426 1290 A 72 LEU HD2% A 119 SER HBx 1.0 1.728 3.320 1427 1291 A 45 CYS H A 98 CYS HB2 1.0 1.999 5.883 1428 1292 A 73 ALA H A 72 LEU HB3 1.0 1.928 4.548 1429 1293 A 106 LYS H A 106 LYS HGx 1.0 1.998 5.696 1430 1294 A 108 PHE H A 108 PHE HD% 1.0 2.000 5.974 1431 1295 A 49 CYS H A 49 CYS HB3 1.0 1.735 3.353 1432 1296 A 34 LYS HB2 A 34 LYS HA 1.0 1.812 3.732 1433 1297 A 46 TYR HA A 46 TYR H 1.0 1.751 3.423 1434 1298 A 82 ARG HB3 A 82 ARG HDx 1.0 1.715 3.267 1435 1299 A 112 ASN HA A 112 ASN HB2 1.0 1.625 2.911 1436 1300 A 47 ILE HG2% A 47 ILE HB 1.0 1.588 2.782 1437 1301 A 108 PHE H A 105 PHE HA 1.0 1.999 6.183 1438 1302 A 103 ARG HA A 103 ARG HGy 1.0 1.600 2.820 1439 1303 A 122 LYS HBx A 122 LYS HBy 1.0 1.313 1.999 1440 1304 A 113 LEU HA A 113 LEU HB2 1.0 1.615 2.877 1441 1305 A 101 ALA HB% A 47 ILE HG2% 1.0 1.739 3.373 1442 1306 A 94 ASP HBx A 95 ASN H 1.0 2.000 6.106 1443 1307 A 40 ASP H A 43 THR HG1 1.0 1.995 6.385 1444 1308 A 89 VAL HA B 1 ACD H20% 1.0 1.740 3.376 1445 1309 A 5 VAL H A 5 VAL HGy% 1.0 1.513 2.539 1446 1310 A 14 TYR HB3 A 53 LYS HB2 1.0 1.861 4.029 1447 1311 A 67 ASN HA A 70 HIS HBy 1.0 1.763 3.485 1448 1312 A 56 LEU HD2% A 56 LEU HB3 1.0 1.628 2.924 1449 1313 A 68 LEU H A 67 ASN HB2 1.0 1.823 3.795 1450 1314 A 95 ASN HBx A 95 ASN H 1.0 1.943 4.713 1451 1315 A 65 VAL HG2% A 65 VAL HB 1.0 1.550 2.654 1452 1316 A 4 THR H A 4 THR HB 1.0 1.927 4.545 1453 1317 A 63 PRO HDx A 63 PRO HDy 1.0 1.512 2.536 1454 1318 A 26 ALA H A 26 ALA HB% 1.0 1.519 2.555 1455 1319 A 71 GLN HE22 A 5 VAL HGy% 1.0 1.985 5.313 1456 1320 A 68 LEU H A 68 LEU HB2 1.0 1.708 3.236 1457 1321 A 36 GLU HGx A 36 GLU HGy 1.0 1.346 2.080 1458 1322 A 115 LEU HD1% A 76 ARG HD3 1.0 1.569 2.717 1459 1322 A 115 LEU HD1% A 76 ARG HD2 1.0 1.569 2.717 1460 1323 A 121 LYS H A 118 ALA HA 1.0 1.898 4.298 1461 1324 A 58 ASP HBx A 60 THR H 1.0 1.998 6.272 1462 1325 A 4 THR HG2% A 4 THR HB 1.0 1.476 2.430 1463 1326 A 99 HIS HBx A 99 HIS HD2 1.0 1.995 6.375 1464 1327 A 113 LEU H A 112 ASN HB3 1.0 1.989 6.595 1465 1328 A 123 ASP HBx A 123 ASP HA 1.0 1.618 2.884 1466 1328 A 123 ASP HBy A 123 ASP HA 1.0 1.618 2.884 1467 1329 A 83 THR HA A 83 THR H 1.0 1.893 4.255 1468 1330 A 4 THR HG2% A 4 THR H 1.0 1.985 5.325 1469 1331 A 99 HIS HD2 A 99 HIS HA 1.0 1.971 5.065 1470 1332 A 71 GLN HB2 A 71 GLN HA 1.0 1.728 3.320 1471 1333 A 29 VAL HG2% A 29 VAL HA 1.0 1.563 2.699 1472 1334 A 11 LEU HA A 14 TYR H 1.0 1.964 4.970 1473 1335 A 87 LYS HB3 A 88 CYS H 1.0 1.953 4.817 1474 1335 A 87 LYS HB2 A 88 CYS H 1.0 1.953 4.817 1475 1336 A 61 GLU HGx A 61 GLU HA 1.0 1.812 3.736 1476 1337 A 66 ASP H A 67 ASN H 1.0 1.896 4.278 1477 1338 A 62 GLY HAy A 62 GLY HAx 1.0 1.517 2.549 1478 1339 A 37 PHE HA A 38 PRO HDy 1.0 1.720 3.288 1479 1340 A 58 ASP HBy A 61 GLU H 1.0 1.863 4.037 1480 1341 A 39 GLU H A 39 GLU HBy 1.0 1.716 3.268 1481 1342 A 113 LEU HA A 109 GLN HA 1.0 1.741 3.379 1482 1343 A 106 LYS HA A 109 GLN HE21 1.0 1.996 6.348 1483 1344 A 11 LEU HD2% A 11 LEU HG 1.0 1.588 2.784 1484 1345 A 42 THR HG2% A 42 THR HA 1.0 1.536 2.610 1485 1346 A 42 THR HG2% A 42 THR H 1.0 1.981 5.239 1486 1347 A 22 LEU H A 21 SER HA 1.0 1.998 5.780 1487 1348 A 11 LEU HD2% B 1 ACD H3x 1.0 1.572 2.726 1488 1349 A 14 TYR H A 14 TYR HB3 1.0 1.955 4.839 1489 1350 A 47 ILE HD1% A 47 ILE HA 1.0 1.556 2.676 1490 1351 A 47 ILE HA A 50 VAL H 1.0 1.981 5.237 1491 1352 A 103 ARG HBx A 103 ARG H 1.0 1.773 3.531 1492 1353 A 32 PHE HD% A 32 PHE HB2 1.0 1.697 3.193 1493 1354 A 64 LEU HB2 A 67 ASN H 1.0 1.988 5.400 1494 1355 A 4 THR HA A 4 THR HG2% 1.0 1.538 2.616 1495 1356 A 63 PRO HDx A 63 PRO HDy 1.0 1.495 2.485 1496 1357 A 88 CYS HB3 B 1 ACD H20% 1.0 1.790 3.618 1497 1358 A 102 PHE HB2 A 44 MET HA 1.0 1.779 3.563 1498 1359 A 82 ARG HGx A 65 VAL HG1% 1.0 1.712 3.254 1499 1360 A 113 LEU HB3 A 113 LEU HG 1.0 1.760 3.468 1500 1361 A 108 PHE HA A 108 PHE HB3 1.0 1.820 3.782 1501 1362 A 75 GLY HAx A 75 GLY HAy 1.0 1.378 2.160 1502 1363 A 113 LEU HB2 A 113 LEU HG 1.0 1.819 3.773 1503 1364 A 106 LYS HBx A 105 PHE H 1.0 1.958 7.198 1504 1365 A 106 LYS HA A 109 GLN H 1.0 1.993 5.547 1505 1366 A 35 TRP HE3 A 37 PHE HZ 1.0 1.898 4.302 1506 1367 A 35 TRP H A 34 LYS H 1.0 1.906 4.358 1507 1368 A 17 GLU H A 17 GLU HB3 1.0 1.981 5.231 1508 1369 A 33 LYS HGy A 33 LYS HA 1.0 1.609 2.855 1509 1370 A 8 THR H A 7 THR HA 1.0 1.702 3.208 1510 1371 A 78 ALA H A 77 ASP H 1.0 1.999 5.891 1511 1372 A 62 GLY HAy A 100 TRP HZ2 1.0 1.999 5.803 1512 1373 A 5 VAL HGx% A 7 THR HG2% 1.0 1.725 3.305 1513 1374 A 55 GLN HGx A 55 GLN HGy 1.0 1.328 2.036 1514 1375 A 117 LYS HGy A 117 LYS H 1.0 1.780 3.568 1515 1376 A 42 THR HB A 42 THR H 1.0 1.872 4.102 1516 1377 A 25 PRO HDy A 25 PRO HBx 1.0 1.851 3.965 1517 1378 A 23 ASN HA A 24 ILE H 1.0 1.877 4.141 1518 1379 A 92 ASN H A 92 ASN HB2 1.0 1.794 3.642 1519 1380 A 50 VAL HG2% A 50 VAL HG1% 1.0 1.451 2.359 1520 1381 A 12 GLN HBx A 12 GLN HE22 1.0 1.978 6.878 1521 1382 A 7 THR H A 7 THR HG2% 1.0 1.660 3.042 1522 1383 A 35 TRP HH2 B 1 ACD H6 1.0 1.996 6.338 1523 1384 A 92 ASN HB3 A 92 ASN HA 1.0 1.838 3.888 1524 1385 A 100 TRP HH2 A 100 TRP HZ2 1.0 1.784 3.588 1525 1386 A 44 MET H A 44 MET HB3 1.0 1.999 5.821 1526 1387 A 19 VAL HG2% A 19 VAL HA 1.0 1.591 2.791 1527 1388 A 98 CYS HB3 A 44 MET HB2 1.0 1.838 3.886 1528 1389 A 11 LEU HD1% A 14 TYR HD% 1.0 1.764 3.488 1529 1390 A 105 PHE HB3 A 105 PHE H 1.0 1.800 3.670 1530 1391 A 28 TYR HB3 A 28 TYR H 1.0 1.949 4.771 1531 1392 A 81 VAL HA A 81 VAL HB 1.0 1.806 3.704 1532 1393 A 88 CYS H A 86 LEU H 1.0 2.000 6.068 1533 1394 A 12 GLN H A 15 ARG H 1.0 1.915 7.727 1534 1395 A 69 VAL HG2% A 82 ARG HA 1.0 1.546 2.642 1535 1396 A 65 VAL HB A 65 VAL HG1% 1.0 1.565 2.705 1536 1397 A 5 VAL H A 4 THR HG2% 1.0 1.651 3.009 1537 1398 A 49 CYS H A 49 CYS HB2 1.0 1.714 3.260 1538 1399 A 55 GLN HA A 55 GLN HGx 1.0 1.699 3.197 1539 1400 A 120 ILE HD1% A 35 TRP HH2 1.0 1.807 3.707 1540 1401 A 24 ILE HD1% A 46 TYR HB2 1.0 1.600 2.824 1541 1402 A 19 VAL HG2% A 19 VAL HB 1.0 1.653 3.013 1542 1403 A 116 ILE HG1x A 116 ILE HG1y 1.0 1.522 2.568 1543 1404 A 89 VAL HB A 86 LEU HA 1.0 1.676 3.102 1544 1405 A 36 GLU HA A 36 GLU HGy 1.0 1.788 3.610 1545 1406 A 66 ASP H A 65 VAL HG1% 1.0 1.953 4.825 1546 1407 A 47 ILE HD1% A 47 ILE HG2% 1.0 1.553 2.665 1547 1408 A 38 PRO HDy A 38 PRO HGy 1.0 1.768 3.506 1548 1409 A 47 ILE HA A 47 ILE HB 1.0 1.893 4.257 1549 1410 A 71 GLN HB2 A 71 GLN HA 1.0 1.756 3.452 1550 1411 A 56 LEU H A 55 GLN HB2 1.0 1.985 6.727 1551 1412 A 49 CYS HA A 50 VAL H 1.0 1.996 5.616 1552 1413 A 22 LEU HD1% A 49 CYS HB2 1.0 1.600 2.820 1553 1414 A 53 LYS H A 53 LYS HB3 1.0 1.947 4.745 1554 1415 A 113 LEU HD1% A 116 ILE H 1.0 1.998 5.722 1555 1416 A 122 LYS H A 121 LYS HA 1.0 1.562 2.694 1556 1417 A 50 VAL HB A 50 VAL HG1% 1.0 1.544 2.634 1557 1418 A 11 LEU H A 10 ASP HB3 1.0 1.970 5.046 1558 1419 A 41 ASP HB2 A 41 ASP HA 1.0 1.674 3.096 1559 1420 A 19 VAL HG2% A 46 TYR HE% 1.0 1.676 3.106 1560 1421 A 10 ASP HB3 A 10 ASP HA 1.0 1.583 2.765 1561 1422 A 77 ASP HBy A 77 ASP H 1.0 1.700 3.202 1562 1423 A 47 ILE HA A 50 VAL HB 1.0 1.820 3.780 1563 1424 A 66 ASP HA A 69 VAL H 1.0 1.978 5.180 1564 1425 A 52 ASN H A 52 ASN HBy 1.0 1.736 3.356 1565 1426 A 85 VAL HA A 85 VAL HG2% 1.0 1.576 2.740 1566 1427 A 57 PHE H A 57 PHE HB3 1.0 1.888 4.220 1567 1428 A 89 VAL HG1% A 89 VAL HB 1.0 1.457 2.373 1568 1429 A 35 TRP HA A 36 GLU H 1.0 1.730 3.332 1569 1430 A 71 GLN H A 70 HIS HBy 1.0 1.926 4.540 1570 1431 A 15 ARG HB3 A 16 THR H 1.0 1.956 4.864 1571 1432 A 57 PHE HD% A 57 PHE HB3 1.0 1.683 3.133 1572 1433 A 39 GLU HBx A 39 GLU HGx 1.0 1.671 3.087 1573 1433 A 39 GLU HBx A 39 GLU HGy 1.0 1.671 3.087 1574 1434 A 109 GLN HBx A 109 GLN HA 1.0 1.639 2.963 1575 1435 A 5 VAL H A 4 THR HA 1.0 1.453 2.363 1576 1436 A 22 LEU HD1% A 18 CYS HB3 1.0 1.815 3.749 1577 1437 A 59 ASP HB2 A 59 ASP HB3 1.0 1.246 1.842 1578 1438 A 3 PHE HB2 A 3 PHE HA 1.0 1.615 2.873 1579 1439 A 74 HIS H A 74 HIS HBy 1.0 1.814 3.742 1580 1440 A 110 LYS HA A 110 LYS HBx 1.0 1.693 3.175 1581 1441 A 4 THR HG2% A 4 THR HB 1.0 1.428 2.292 1582 1442 A 106 LYS HBx A 106 LYS HGx 1.0 1.699 3.197 1583 1443 A 31 LYS HA A 31 LYS HGx 1.0 1.764 3.484 1584 1444 A 95 ASN HBx A 95 ASN HBy 1.0 1.317 2.009 1585 1445 A 67 ASN HA A 70 HIS HBy 1.0 1.639 2.961 1586 1446 A 35 TRP H A 36 GLU H 1.0 1.924 4.518 1587 1447 A 115 LEU H A 117 LYS H 1.0 1.989 6.597 1588 1448 A 22 LEU HD1% A 49 CYS H 1.0 1.972 5.080 1589 1449 A 32 PHE HB3 A 32 PHE HA 1.0 1.683 3.131 1590 1450 A 89 VAL HG2% A 63 PRO HBx 1.0 1.661 3.045 1591 1451 A 18 CYS HB3 A 46 TYR HD% 1.0 1.788 3.612 1592 1452 A 85 VAL HA A 108 PHE HD% 1.0 1.593 2.799 1593 1453 A 64 LEU HD2% A 64 LEU HG 1.0 1.487 2.459 1594 1454 A 24 ILE HB A 24 ILE H 1.0 1.712 3.252 1595 1455 A 89 VAL H A 88 CYS HB2 1.0 1.999 5.893 1596 1456 A 22 LEU HB2 A 24 ILE HD1% 1.0 1.548 2.648 1597 1457 A 117 LYS HEx A 113 LEU HG 1.0 1.702 3.212 1598 1458 A 29 VAL H A 27 ASP H 1.0 1.999 6.139 1599 1459 A 103 ARG H A 102 PHE HB3 1.0 1.905 4.349 1600 1460 A 86 LEU HA A 87 LYS H 1.0 1.983 5.275 1601 1461 A 20 SER H A 19 VAL HB 1.0 1.777 3.551 1602 1462 A 57 PHE H A 57 PHE HB2 1.0 1.964 4.970 1603 1463 A 68 LEU HA A 68 LEU HB3 1.0 1.824 3.804 1604 1464 A 47 ILE HD1% A 47 ILE HB 1.0 1.860 4.024 1605 1465 A 86 LEU HA A 86 LEU HG 1.0 1.720 3.286 1606 1466 A 111 ASN HB3 A 111 ASN HA 1.0 1.560 2.686 1607 1467 A 42 THR HG2% A 25 PRO HDx 1.0 1.855 3.989 1608 1468 A 118 ALA H A 118 ALA HB% 1.0 1.458 2.378 1609 1469 A 85 VAL HG1% A 85 VAL HB 1.0 1.520 2.560 1610 1470 A 16 THR HG2% A 16 THR HB 1.0 1.531 2.597 1611 1471 A 63 PRO HBx A 63 PRO HDy 1.0 1.840 3.900 1612 1472 A 50 VAL HB A 50 VAL H 1.0 1.692 3.166 1613 1473 A 73 ALA HA A 73 ALA HB% 1.0 1.598 2.814 1614 1474 A 29 VAL HG2% A 29 VAL HB 1.0 1.472 2.418 1615 1475 A 5 VAL HB A 5 VAL HGy% 1.0 1.447 2.347 1616 1476 A 65 VAL H A 64 LEU HA 1.0 1.510 2.530 1617 1477 A 22 LEU H A 22 LEU HG 1.0 1.726 3.314 1618 1478 A 72 LEU HB3 A 72 LEU HD2% 1.0 1.608 2.850 1619 1479 A 51 PHE HB3 A 51 PHE HA 1.0 1.728 3.320 1620 1480 A 53 LYS HG2 A 53 LYS HA 1.0 1.826 3.810 1621 1480 A 53 LYS HG3 A 53 LYS HA 1.0 1.826 3.810 1622 1481 A 117 LYS HD3 A 117 LYS HBy 1.0 1.746 3.404 1623 1481 A 117 LYS HD2 A 117 LYS HBy 1.0 1.746 3.404 1624 1482 A 23 ASN HBy A 23 ASN HD21 1.0 1.973 5.101 1625 1483 A 90 ASP H A 89 VAL HG1% 1.0 1.639 2.963 1626 1484 A 58 ASP HBy A 61 GLU HBy 1.0 1.778 3.558 1627 1485 A 116 ILE HA A 72 LEU HD2% 1.0 1.626 2.914 1628 1486 A 22 LEU H A 24 ILE H 1.0 1.983 5.285 1629 1487 A 86 LEU HD1% A 86 LEU HG 1.0 1.512 2.536 1630 1488 A 19 VAL HG2% A 19 VAL HA 1.0 1.609 2.855 1631 1489 A 117 LYS HEy A 117 LYS HGx 1.0 1.772 3.524 1632 1490 A 104 GLY HAx A 104 GLY HAy 1.0 1.538 2.620 1633 1491 A 13 ARG HGx A 13 ARG HDx 1.0 1.645 2.983 1634 1492 A 49 CYS HA A 49 CYS HB2 1.0 1.527 2.583 1635 1493 A 47 ILE HD1% A 37 PHE HD% 1.0 1.702 3.208 1636 1494 A 47 ILE HB A 47 ILE HG1y 1.0 1.793 3.635 1637 1495 A 12 GLN H A 11 LEU HB3 1.0 1.819 3.779 1638 1496 A 74 HIS HD2 A 74 HIS HA 1.0 1.903 4.333 1639 1497 A 8 THR H A 8 THR HB 1.0 1.751 3.429 1640 1498 A 68 LEU HA A 68 LEU HB3 1.0 1.663 3.055 1641 1499 A 22 LEU HB3 A 24 ILE HD1% 1.0 1.648 2.996 1642 1500 A 52 ASN HD21 A 52 ASN HD22 1.0 1.358 2.110 1643 1501 A 72 LEU HD1% A 68 LEU HB3 1.0 1.898 4.298 1644 1502 A 66 ASP H A 66 ASP HBx 1.0 1.696 3.182 1645 1503 A 33 LYS HGx A 33 LYS HA 1.0 1.798 3.664 1646 1504 A 47 ILE HD1% A 46 TYR HE% 1.0 1.763 3.483 1647 1505 A 90 ASP H A 89 VAL H 1.0 1.990 6.576 1648 1506 A 90 ASP HB3 A 90 ASP HB2 1.0 1.489 2.467 1649 1507 A 46 TYR HA A 46 TYR HB2 1.0 1.719 3.283 1650 1508 A 77 ASP HBy A 77 ASP HA 1.0 1.569 2.717 1651 1508 A 77 ASP HBx A 77 ASP HA 1.0 1.569 2.717 1652 1509 A 74 HIS HD2 A 74 HIS HBy 1.0 1.861 4.027 1653 1510 A 105 PHE HB2 A 105 PHE HA 1.0 1.784 3.588 1654 1511 A 6 SER HBx A 6 SER HA 1.0 1.731 3.335 1655 1512 A 68 LEU HA A 71 GLN H 1.0 1.990 5.442 1656 1513 A 72 LEU HB2 A 72 LEU HD1% 1.0 1.760 3.470 1657 1514 A 78 ALA HB% A 78 ALA HA 1.0 1.448 2.350 1658 1515 A 102 PHE HD% A 102 PHE HB3 1.0 1.665 3.061 1659 1516 A 10 ASP HB3 A 10 ASP HA 1.0 1.688 3.152 1660 1517 A 85 VAL HG2% A 85 VAL H 1.0 1.577 2.743 1661 1518 A 46 TYR HA A 46 TYR HD% 1.0 1.770 3.516 1662 1519 A 50 VAL HG2% A 50 VAL H 1.0 1.569 2.719 1663 1520 A 22 LEU HD1% A 22 LEU HB3 1.0 1.596 2.808 1664 1521 A 84 GLU HA A 83 THR HG2% 1.0 1.877 4.135 1665 1522 A 90 ASP HB3 A 90 ASP HB2 1.0 1.460 2.384 1666 1523 A 23 ASN HBx A 23 ASN H 1.0 1.974 5.128 1667 1524 A 73 ALA HB% A 74 HIS H 1.0 1.966 5.000 1668 1525 A 40 ASP HBy A 40 ASP H 1.0 1.932 4.596 1669 1526 A 75 GLY HAx A 75 GLY HAy 1.0 1.379 2.163 1670 1527 A 123 ASP HBx A 123 ASP HA 1.0 1.693 3.173 1671 1528 A 3 PHE H A 4 THR H 1.0 1.960 7.166 1672 1529 A 8 THR HG2% A 8 THR HB 1.0 1.524 2.572 1673 1530 A 76 ARG HB3 A 76 ARG HGy 1.0 1.652 3.014 1674 1531 A 81 VAL HG2% A 81 VAL HB 1.0 1.432 2.306 1675 1532 A 30 GLU H A 27 ASP HA 1.0 1.996 5.640 1676 1533 A 15 ARG H A 15 ARG HA 1.0 1.720 3.290 1677 1534 A 113 LEU HB2 A 113 LEU H 1.0 1.860 4.024 1678 1535 A 86 LEU H A 86 LEU HG 1.0 1.679 3.113 1679 1536 A 68 LEU HD2% A 68 LEU HA 1.0 1.651 3.007 1680 1537 A 121 LYS H A 121 LYS HBy 1.0 1.692 3.166 1681 1538 A 28 TYR HD% A 25 PRO HBx 1.0 1.776 3.546 1682 1539 A 38 PRO HBx A 38 PRO HA 1.0 1.646 2.988 1683 1540 A 106 LYS HBy A 106 LYS HBx 1.0 1.501 2.503 1684 1541 A 123 ASP H A 122 LYS HBx 1.0 1.984 5.294 1685 1542 A 23 ASN HBy A 23 ASN HBx 1.0 1.278 1.916 1686 1543 A 76 ARG HGx A 76 ARG HD2 1.0 1.644 2.982 1687 1543 A 76 ARG HGx A 76 ARG HD3 1.0 1.644 2.982 1688 1544 A 15 ARG HB3 A 16 THR H 1.0 1.893 4.263 1689 1545 A 22 LEU H A 23 ASN H 1.0 1.883 4.187 1690 1546 A 24 ILE HB A 24 ILE HG1x 1.0 1.744 3.396 1691 1547 A 41 ASP H A 41 ASP HA 1.0 1.854 3.982 1692 1548 A 54 MET H A 54 MET HB3 1.0 1.968 5.020 1693 1549 A 68 LEU HA A 68 LEU HG 1.0 1.690 3.162 1694 1550 A 66 ASP H A 64 LEU HA 1.0 2.000 5.952 1695 1551 A 30 GLU H A 30 GLU HA 1.0 1.896 4.286 1696 1552 A 86 LEU HD2% A 86 LEU HG 1.0 1.498 2.496 1697 1553 A 43 THR HG2% A 102 PHE HE% 1.0 1.659 3.037 1698 1554 A 86 LEU HD1% A 86 LEU HG 1.0 1.539 2.619 1699 1555 A 120 ILE HB A 120 ILE HG2% 1.0 1.620 2.890 1700 1556 A 68 LEU HA A 56 LEU HD2% 1.0 1.586 2.776 1701 1557 A 77 ASP HBx A 77 ASP HA 1.0 1.683 3.135 1702 1558 A 47 ILE H A 45 CYS H 1.0 1.991 6.563 1703 1559 A 85 VAL H A 85 VAL HB 1.0 1.666 3.068 1704 1560 A 108 PHE HA A 108 PHE HB2 1.0 1.681 3.123 1705 1561 A 47 ILE HD1% A 47 ILE HG1x 1.0 1.566 2.706 1706 1562 A 64 LEU HB3 A 64 LEU H 1.0 1.957 4.877 1707 1563 A 92 ASN H A 91 LYS HBx 1.0 1.804 3.692 1708 1564 A 29 VAL H A 28 TYR H 1.0 1.898 4.292 1709 1565 A 97 ALA HB% A 98 CYS H 1.0 1.820 3.782 1710 1566 A 47 ILE HA A 47 ILE HG1x 1.0 1.816 3.760 1711 1567 A 40 ASP H A 44 MET HGx 1.0 1.994 6.428 1712 1568 A 76 ARG HB3 A 77 ASP H 1.0 1.777 3.553 1713 1569 A 14 TYR HD% A 54 MET HGy 1.0 1.720 3.288 1714 1570 A 121 LYS HG3 A 121 LYS HBy 1.0 1.638 2.956 1715 1570 A 121 LYS HG2 A 121 LYS HBy 1.0 1.638 2.956 1716 1571 A 31 LYS HDx A 31 LYS HDy 1.0 1.555 2.669 1717 1572 A 101 ALA HB% A 101 ALA HA 1.0 1.550 2.654 1718 1573 A 56 LEU HD1% A 56 LEU HB2 1.0 1.687 3.149 1719 1574 A 78 ALA H A 77 ASP HA 1.0 1.459 2.379 1720 1575 A 30 GLU HA A 33 LYS H 1.0 1.995 5.625 1721 1576 A 108 PHE HE% A 116 ILE H 1.0 1.985 6.697 1722 1577 A 54 MET HE% B 1 ACD H4y 1.0 1.907 4.375 1723 1578 A 68 LEU HD2% B 1 ACD H16y 1.0 1.791 3.623 1724 1579 A 71 GLN HGx B 1 ACD H11 1.0 1.896 4.282 1725 1580 A 120 ILE HG13 B 1 ACD H9 1.0 1.947 4.749 1726 1581 A 72 LEU HD2% B 1 ACD H11 1.0 1.656 3.026 1727 1582 A 116 ILE HD1% B 1 ACD H15 1.0 1.737 3.361 1728 1583 B 1 ACD H11 A 71 GLN HGy 1.0 1.877 4.141 1729 1584 A 85 VAL HG1% B 1 ACD H18x 1.0 1.855 3.995 1730 1585 A 85 VAL HG1% B 1 ACD H19x 1.0 1.812 3.736 1731 1586 A 116 ILE HG2% B 1 ACD H9 1.0 1.694 3.174 1732 1587 A 85 VAL HG1% B 1 ACD H20% 1.0 1.588 2.782 1733 1588 A 72 LEU H B 1 ACD H11 1.0 1.982 6.766 1734 1589 A 108 PHE HB3 B 1 ACD H17y 1.0 1.872 4.110 1735 1590 A 63 PRO HGx B 1 ACD H20% 1.0 1.748 3.416 1736 1591 A 120 ILE HG2% B 1 ACD H7y 1.0 1.971 5.069 1737 1592 A 54 MET HE% B 1 ACD H10x 1.0 1.736 3.356 1738 1593 A 63 PRO HBy B 1 ACD H20% 1.0 1.716 3.270 1739 1594 A 72 LEU HD2% B 1 ACD H13y 1.0 1.950 4.782 1740 1595 A 116 ILE HD1% B 1 ACD H14 1.0 1.817 3.763 1741 1596 A 63 PRO HBx B 1 ACD H20% 1.0 1.719 3.285 1742 1597 A 72 LEU H B 1 ACD H12 1.0 1.986 6.694 1743 1598 A 88 CYS HB2 B 1 ACD H20% 1.0 1.765 3.493 1744 1599 A 72 LEU HD2% B 1 ACD H14 1.0 1.899 4.299 1745 1600 A 104 GLY HAx B 1 ACD H20% 1.0 1.785 3.593 1746 1601 A 56 LEU HD1% B 1 ACD H10x 1.0 1.862 4.036 1747 1602 A 11 LEU HD2% B 1 ACD H3y 1.0 1.856 3.994 1748 1603 A 104 GLY HAx B 1 ACD H19y 1.0 1.872 4.104 1749 1604 A 72 LEU HD2% B 1 ACD H12 1.0 1.610 2.860 1750 1605 A 108 PHE HB3 B 1 ACD H17x 1.0 1.876 4.134 1751 1606 A 56 LEU HD1% B 1 ACD H13y 1.0 1.807 3.705 1752 1607 A 120 ILE HG2% B 1 ACD H7x 1.0 1.979 5.203 1753 1608 A 63 PRO HGy B 1 ACD H20% 1.0 1.729 3.327 1754 1609 A 47 ILE HD1% B 1 ACD H5 1.0 1.820 3.776 1755 1610 A 116 ILE HG2% B 1 ACD H8 1.0 1.602 2.830 1756 1610 A 116 ILE HG2% B 1 ACD H14 1.0 1.602 2.830 1757 1611 A 56 LEU HD2% B 1 ACD H13y 1.0 1.945 4.735 1758 1612 A 120 ILE HG2% B 1 ACD H10x 1.0 1.961 4.923 1759 1613 A 120 ILE HD1% B 1 ACD H8 1.0 1.722 3.296 1760 1614 A 120 ILE HG2% B 1 ACD H9 1.0 1.606 2.844 1761 1615 A 116 ILE HG2% B 1 ACD H10y 1.0 1.926 4.538 1762 1616 A 72 LEU HD1% B 1 ACD H12 1.0 1.783 3.583 1763 1617 A 11 LEU HD2% B 1 ACD H4y 1.0 1.943 4.703 1764 1618 A 11 LEU HD2% B 1 ACD H8 1.0 1.770 3.516 1765 1619 A 105 PHE HB3 B 1 ACD H15 1.0 1.999 5.751 1766 1620 A 108 PHE HB2 B 1 ACD H17y 1.0 1.869 4.083 1767 1621 A 116 ILE HG2% B 1 ACD H6 1.0 1.701 3.207 1768 1622 A 68 LEU HD2% B 1 ACD H12 1.0 1.862 4.036 1769 1623 A 104 GLY HAy B 1 ACD H19y 1.0 1.885 4.197 1770 1624 A 85 VAL HG2% B 1 ACD H19x 1.0 1.921 4.491 1771 1625 A 120 ILE HG2% B 1 ACD H8 1.0 1.687 3.149 1772 1626 A 56 LEU HD1% B 1 ACD H12 1.0 1.891 4.239 1773 1627 A 47 ILE HD1% B 1 ACD H21 1.0 1.778 3.558 1774 1628 A 104 GLY HAy B 1 ACD H20% 1.0 1.780 3.568 1775 1629 A 56 LEU HD2% B 1 ACD H12 1.0 1.983 5.283 1776 1630 A 108 PHE H B 1 ACD H19y 1.0 1.972 5.084 1777 1631 A 50 VAL HG1% B 1 ACD H4x 1.0 1.791 3.625 1778 1632 A 85 VAL HG2% B 1 ACD H17x 1.0 1.905 4.351 1779 1633 B 1 ACD H15 A 108 PHE HB3 1.0 1.925 4.523 1780 1634 A 120 ILE HG13 B 1 ACD H8 1.0 1.962 4.940 1781 1635 A 108 PHE HB2 B 1 ACD H17x 1.0 1.857 4.003 1782 1636 A 11 LEU HD1% B 1 ACD H7y 1.0 1.812 3.734 1783 1637 A 56 LEU HD1% B 1 ACD H11 1.0 1.878 4.150 1784 1638 A 47 ILE HD1% B 1 ACD H4x 1.0 1.718 3.278 1785 1639 A 11 LEU HD1% B 1 ACD H7x 1.0 1.868 4.076 1786 1640 A 89 VAL HG2% B 1 ACD H20% 1.0 1.558 2.680 1787 1641 B 1 ACD H19x A 88 CYS HB2 1.0 1.888 4.220 1788 1642 A 72 LEU HG B 1 ACD H11 1.0 1.960 4.912 1789 1643 A 54 MET HE% B 1 ACD H7x 1.0 1.736 3.358 1790 1644 A 11 LEU HD1% B 1 ACD H4y 1.0 1.826 3.814 1791 1645 A 11 LEU HD2% B 1 ACD H7x 1.0 1.943 4.705 1792 1646 A 50 VAL HG2% B 1 ACD H3y 1.0 1.957 4.875 1793 1647 A 116 ILE HD1% B 1 ACD H6 1.0 1.929 4.561 1794 1648 A 88 CYS HB3 B 1 ACD H20% 1.0 1.782 3.578 1795 1649 A 85 VAL HG2% B 1 ACD H19x 1.0 1.916 4.450 1796 1650 A 88 CYS HB3 B 1 ACD H19y 1.0 1.920 4.478 1797 1651 A 50 VAL HG1% B 1 ACD H4y 1.0 1.804 3.692 1798 1652 A 11 LEU HD1% B 1 ACD H3x 1.0 1.718 3.278 1799 1653 A 50 VAL HG2% A 14 TYR HB2 1.0 1.830 3.840 1800 1653 A 50 VAL HG2% A 54 MET HGy 1.0 1.830 3.840 1801 1654 A 120 ILE HG13 A 117 LYS HA 1.0 1.735 3.353 1802 1654 A 120 ILE HG12 A 117 LYS HA 1.0 1.735 3.353 1803 1655 A 81 VAL H A 76 ARG HB3 1.0 2.000 6.020 1804 1655 A 81 VAL H A 82 ARG HB2 1.0 2.000 6.020 1805 1656 A 62 GLY HAy A 100 TRP HH2 1.0 1.934 4.610 1806 1656 A 100 TRP HZ3 A 62 GLY HAy 1.0 1.934 4.610 1807 1657 A 43 THR HA A 32 PHE HZ 1.0 1.684 3.136 1808 1658 A 58 ASP H A 61 GLU HGy 1.0 1.970 7.012 1809 1658 A 63 PRO HBy A 58 ASP H 1.0 1.970 7.012 1810 1658 A 58 ASP H A 63 PRO HGx 1.0 1.970 7.012 1811 1659 A 67 ASN HB3 A 56 LEU H 1.0 1.922 7.668 1812 1659 A 56 LEU H A 54 MET HE% 1.0 1.922 7.668 1813 1660 A 104 GLY HAx A 103 ARG H 1.0 1.941 7.427 1814 1661 A 76 ARG HD2 A 77 ASP H 1.0 1.992 6.510 1815 1661 A 76 ARG HD3 A 77 ASP H 1.0 1.992 6.510 1816 1662 A 13 ARG HA A 13 ARG HGx 1.0 1.736 3.356 1817 1663 A 117 LYS H A 115 LEU HA 1.0 1.981 6.785 1818 1663 A 117 LYS H A 118 ALA HA 1.0 1.981 6.785 1819 1664 A 64 LEU HB2 A 69 VAL H 1.0 1.995 6.373 1820 1664 A 68 LEU HG A 69 VAL H 1.0 1.995 6.373 1821 1665 A 84 GLU HB3 A 112 ASN HD22 1.0 1.891 4.243 1822 1666 A 80 GLU HGx A 83 THR H 1.0 1.995 6.403 1823 1666 A 84 GLU HB2 A 83 THR H 1.0 1.995 6.403 1824 1667 A 29 VAL HG2% A 29 VAL H 1.0 1.474 2.424 1825 1668 A 63 PRO HA A 57 PHE HA 1.0 1.704 3.216 1826 1669 A 22 LEU HD2% A 45 CYS HBy 1.0 1.717 3.271 1827 1670 A 105 PHE HD% A 108 PHE HB3 1.0 1.978 5.194 1828 1671 A 65 VAL H A 64 LEU HG 1.0 1.980 6.824 1829 1671 A 82 ARG HGy A 65 VAL H 1.0 1.980 6.824 1830 1672 A 103 ARG H A 103 ARG HGy 1.0 1.998 5.754 1831 1672 A 106 LYS HD3 A 103 ARG H 1.0 1.998 5.754 1832 1673 A 117 LYS HD3 A 114 SER HA 1.0 1.827 3.817 1833 1673 A 117 LYS HD2 A 114 SER HA 1.0 1.827 3.817 1834 1674 A 65 VAL HA A 69 VAL H 1.0 1.995 5.609 1835 1674 A 70 HIS HBy A 69 VAL H 1.0 1.995 5.609 1836 1675 A 51 PHE HB2 A 48 LYS H 1.0 1.985 6.725 1837 1675 A 48 LYS H A 48 LYS HE3 1.0 1.985 6.725 1838 1676 A 13 ARG HGy A 13 ARG HDy 1.0 1.656 3.024 1839 1677 A 106 LYS HD3 A 105 PHE H 1.0 1.971 6.991 1840 1677 A 106 LYS HBy A 105 PHE H 1.0 1.971 6.991 1841 1677 A 103 ARG HGy A 105 PHE H 1.0 1.971 6.991 1842 1678 A 94 ASP HBx A 95 ASN H 1.0 1.855 3.991 1843 1678 A 37 PHE HB3 A 102 PHE HZ 1.0 1.855 3.991 1844 1678 A 37 PHE HB2 A 102 PHE HZ 1.0 1.855 3.991 1845 1679 A 99 HIS H A 96 ASN HB3 1.0 1.988 6.642 1846 1680 A 48 LYS HG3 A 98 CYS HA 1.0 1.795 3.645 1847 1680 A 48 LYS HG2 A 98 CYS HA 1.0 1.795 3.645 1848 1681 A 113 LEU HD1% A 109 GLN H 1.0 1.984 6.738 1849 1682 A 95 ASN HBx A 96 ASN H 1.0 1.999 6.163 1850 1683 A 22 LEU HD2% A 21 SER H 1.0 1.966 7.084 1851 1683 A 21 SER H A 24 ILE HD1% 1.0 1.966 7.084 1852 1684 A 103 ARG HGy A 104 GLY H 1.0 1.951 7.309 1853 1684 A 106 LYS HBy A 104 GLY H 1.0 1.951 7.309 1854 1685 A 55 GLN H A 55 GLN HE21 1.0 1.908 7.804 1855 1686 A 20 SER H A 19 VAL HA 1.0 1.861 4.033 1856 1686 A 22 LEU H A 19 VAL HA 1.0 1.861 4.033 1857 1687 A 22 LEU HD1% A 45 CYS HBx 1.0 1.784 3.590 1858 1687 A 22 LEU HD1% A 46 TYR HB2 1.0 1.784 3.590 1859 1688 A 13 ARG H A 12 GLN HGx 1.0 1.990 6.578 1860 1688 A 13 ARG H A 12 GLN HGy 1.0 1.990 6.578 1861 1688 A 13 ARG H A 10 ASP HB3 1.0 1.990 6.578 1862 1689 A 52 ASN H A 51 PHE HD% 1.0 1.958 7.198 1863 1690 A 106 LYS HA A 109 GLN HGx 1.0 1.701 3.205 1864 1691 A 43 THR HG2% A 46 TYR H 1.0 1.950 7.314 1865 1692 A 105 PHE HD% A 102 PHE HB2 1.0 1.969 5.039 1866 1692 A 105 PHE HD% A 108 PHE HB3 1.0 1.969 5.039 1867 1693 A 105 PHE HB3 A 104 GLY H 1.0 1.951 7.297 1868 1693 A 90 ASP HB3 A 104 GLY H 1.0 1.951 7.297 1869 1694 A 121 LYS HBx A 120 ILE H 1.0 1.973 6.955 1870 1695 A 117 LYS HD3 A 118 ALA H 1.0 1.985 6.707 1871 1695 A 117 LYS HD2 A 118 ALA H 1.0 1.985 6.707 1872 1696 A 89 VAL HB A 89 VAL H 1.0 1.836 3.872 1873 1697 A 110 LYS HA A 109 GLN HE21 1.0 1.957 7.225 1874 1698 A 31 LYS HA A 31 LYS HGx 1.0 1.666 3.064 1875 1699 A 53 LYS HD2 A 53 LYS HB3 1.0 1.809 3.721 1876 1699 A 53 LYS HD3 A 53 LYS HB3 1.0 1.809 3.721 1877 1700 A 67 ASN HA A 69 VAL H 1.0 1.989 6.615 1878 1700 A 69 VAL H A 82 ARG HA 1.0 1.989 6.615 1879 1701 A 16 THR H A 17 GLU HGx 1.0 1.998 5.770 1880 1701 A 19 VAL HB A 16 THR H 1.0 1.998 5.770 1881 1702 A 50 VAL H A 14 TYR HB2 1.0 1.998 6.252 1882 1702 A 50 VAL H A 52 ASN HBx 1.0 1.998 6.252 1883 1702 A 50 VAL H A 51 PHE HB3 1.0 1.998 6.252 1884 1703 A 73 ALA H A 72 LEU HD1% 1.0 1.990 6.560 1885 1704 A 22 LEU HD2% A 45 CYS HBy 1.0 1.802 3.680 1886 1705 A 113 LEU HD1% A 109 GLN HBy 1.0 1.585 2.771 1887 1706 A 117 LYS HGx A 118 ALA H 1.0 1.940 7.452 1888 1707 A 63 PRO HGx A 100 TRP HE1 1.0 1.994 6.454 1889 1708 A 13 ARG HGx A 13 ARG HGy 1.0 1.526 2.580 1890 1709 A 62 GLY HAx A 100 TRP HZ2 1.0 1.922 4.496 1891 1710 A 89 VAL HG1% A 63 PRO HDy 1.0 1.809 3.717 1892 1711 A 81 VAL HG2% A 76 ARG HB3 1.0 1.873 4.111 1893 1711 A 115 LEU HD1% A 76 ARG HB3 1.0 1.873 4.111 1894 1712 A 52 ASN HBx A 55 GLN H 1.0 1.975 6.913 1895 1712 A 54 MET HGy A 55 GLN H 1.0 1.975 6.913 1896 1713 A 2 GLU HA A 2 GLU HBy 1.0 1.784 3.588 1897 1714 A 72 LEU H A 71 GLN HGx 1.0 1.998 6.198 1898 1715 A 54 MET HB3 A 54 MET HE% 1.0 1.686 3.146 1899 1716 A 110 LYS HA A 110 LYS HGy 1.0 1.766 3.498 1900 1717 A 69 VAL HG2% A 70 HIS H 1.0 1.968 5.018 1901 1717 A 69 VAL HG1% A 70 HIS H 1.0 1.968 5.018 1902 1718 A 59 ASP H A 58 ASP H 1.0 1.957 7.227 1903 1719 A 60 THR HG2% A 61 GLU HGx 1.0 1.856 3.996 1904 1720 A 88 CYS H A 89 VAL HB 1.0 1.998 5.782 1905 1721 A 54 MET HA A 54 MET HGy 1.0 1.760 3.466 1906 1722 A 98 CYS H A 98 CYS HA 1.0 1.885 4.197 1907 1723 A 113 LEU HD1% A 112 ASN H 1.0 1.937 7.489 1908 1723 A 113 LEU HD2% A 112 ASN H 1.0 1.937 7.489 1909 1724 A 56 LEU HD1% A 54 MET HE% 1.0 1.763 3.485 1910 1725 A 48 LYS HG3 A 52 ASN H 1.0 1.988 6.638 1911 1725 A 52 ASN H A 53 LYS HB2 1.0 1.988 6.638 1912 1726 A 20 SER H A 16 THR HA 1.0 1.897 4.295 1913 1727 A 72 LEU H A 68 LEU HB3 1.0 2.000 5.878 1914 1727 A 69 VAL HG1% A 72 LEU H 1.0 2.000 5.878 1915 1727 A 69 VAL HG2% A 72 LEU H 1.0 2.000 5.878 1916 1728 A 89 VAL HA A 63 PRO HGy 1.0 1.845 3.925 1917 1729 A 11 LEU HD1% A 54 MET HE% 1.0 1.474 2.424 1918 1730 A 73 ALA HB% A 72 LEU H 1.0 1.996 6.360 1919 1731 A 69 VAL HG1% A 82 ARG H 1.0 1.777 3.551 1920 1731 A 69 VAL HG1% A 73 ALA H 1.0 1.777 3.551 1921 1732 A 68 LEU HB2 A 65 VAL H 1.0 1.998 5.728 1922 1733 A 37 PHE HD% A 32 PHE HE% 1.0 1.896 4.274 1923 1733 A 37 PHE HD% A 32 PHE HD% 1.0 1.896 4.274 1924 1734 A 66 ASP HA A 70 HIS H 1.0 2.000 5.958 1925 1735 A 56 LEU HD2% A 67 ASN H 1.0 1.999 5.803 1926 1736 A 88 CYS H A 85 VAL HG1% 1.0 1.996 5.652 1927 1737 A 102 PHE H A 105 PHE H 1.0 1.955 7.243 1928 1738 A 50 VAL HG1% A 14 TYR HB2 1.0 1.695 3.179 1929 1738 A 50 VAL HG1% A 54 MET HGy 1.0 1.695 3.179 1930 1739 A 47 ILE HB A 46 TYR H 1.0 1.986 6.696 1931 1740 A 31 LYS HDx A 31 LYS HB3 1.0 1.792 3.624 1932 1741 A 22 LEU HB2 A 21 SER H 1.0 1.999 6.179 1933 1741 A 22 LEU HG A 21 SER H 1.0 1.999 6.179 1934 1742 A 96 ASN H A 92 ASN HD21 1.0 1.993 6.487 1935 1742 A 92 ASN H A 92 ASN HD21 1.0 1.993 6.487 1936 1743 A 62 GLY H A 61 GLU HGy 1.0 2.000 6.090 1937 1744 A 31 LYS HDx A 28 TYR HA 1.0 1.883 4.181 1938 1745 A 56 LEU HA A 56 LEU HG 1.0 1.725 3.305 1939 1745 A 64 LEU HB2 A 56 LEU HA 1.0 1.725 3.305 1940 1746 A 20 SER HB3 A 16 THR HG2% 1.0 1.785 3.591 1941 1746 A 20 SER HB2 A 16 THR HG2% 1.0 1.785 3.591 1942 1747 A 47 ILE HG1x A 46 TYR H 1.0 1.977 6.873 1943 1748 A 97 ALA HB% A 100 TRP H 1.0 1.963 7.125 1944 1749 A 84 GLU HB3 A 87 LYS H 1.0 1.991 6.549 1945 1749 A 84 GLU HB2 A 87 LYS H 1.0 1.991 6.549 1946 1749 A 89 VAL HB A 87 LYS H 1.0 1.991 6.549 1947 1750 A 60 THR HG2% A 61 GLU HGy 1.0 1.815 3.749 1948 1751 A 56 LEU HD1% A 54 MET HB3 1.0 1.787 3.605 1949 1752 A 59 ASP H A 52 ASN HD22 1.0 1.935 7.513 1950 1753 A 113 LEU HD1% A 35 TRP HE3 1.0 1.734 3.350 1951 1754 A 70 HIS H A 72 LEU H 1.0 1.976 6.888 1952 1755 A 40 ASP H A 43 THR H 1.0 1.993 6.481 1953 1756 A 81 VAL HG2% A 78 ALA HA 1.0 1.711 3.249 1954 1757 A 33 LYS HGy A 33 LYS H 1.0 1.993 5.535 1955 1758 A 31 LYS HDx A 38 PRO HDx 1.0 1.901 4.323 1956 1759 A 114 SER HA A 118 ALA H 1.0 1.997 6.295 1957 1760 A 91 LYS HA A 100 TRP HE1 1.0 1.997 6.303 1958 1761 A 63 PRO HBy A 64 LEU H 1.0 1.987 5.351 1959 1762 A 117 LYS HD2 A 117 LYS HEy 1.0 1.669 3.077 1960 1762 A 117 LYS HD3 A 117 LYS HEy 1.0 1.669 3.077 1961 1763 A 50 VAL HG1% A 52 ASN H 1.0 1.951 7.299 1962 1764 A 61 GLU H A 58 ASP H 1.0 1.919 7.683 1963 1765 A 56 LEU H A 57 PHE HB3 1.0 1.975 6.905 1964 1766 A 110 LYS H A 110 LYS HGy 1.0 2.000 6.020 1965 1767 A 110 LYS H A 110 LYS HGx 1.0 2.000 6.056 1966 1768 A 95 ASN HD21 A 95 ASN HD22 1.0 1.491 2.473 1967 1769 A 29 VAL HG2% A 27 ASP H 1.0 1.988 6.626 1968 1770 A 84 GLU H A 85 VAL HG2% 1.0 1.991 6.537 1969 1771 A 95 ASN HA A 92 ASN HD21 1.0 1.999 5.793 1970 1772 A 56 LEU H A 51 PHE HA 1.0 1.984 6.738 1971 1773 A 91 LYS H A 93 THR HG2% 1.0 1.995 6.403 1972 1774 A 29 VAL HG1% A 33 LYS H 1.0 1.985 6.697 1973 1775 A 16 THR HG2% A 17 GLU HGx 1.0 1.807 3.705 1974 1775 A 19 VAL HB A 16 THR HG2% 1.0 1.807 3.705 1975 1776 A 15 ARG HGx A 15 ARG HB2 1.0 1.919 4.471 1976 1777 A 57 PHE HD% A 52 ASN HD21 1.0 1.995 6.397 1977 1778 A 82 ARG HGx A 82 ARG H 1.0 1.999 6.181 1978 1779 A 111 ASN H A 110 LYS HGy 1.0 1.975 6.927 1979 1779 A 112 ASN HB2 A 111 ASN H 1.0 1.975 6.927 1980 1780 A 103 ARG HDy A 103 ARG HH12 1.0 1.903 4.339 1981 1781 A 88 CYS H A 86 LEU HB3 1.0 1.996 6.368 1982 1781 A 87 LYS HGy A 88 CYS H 1.0 1.996 6.368 1983 1782 A 81 VAL HG2% A 76 ARG HB2 1.0 1.830 3.836 1984 1782 A 115 LEU HD1% A 76 ARG HB2 1.0 1.830 3.836 1985 1783 A 14 TYR H A 13 ARG HGx 1.0 1.999 6.189 1986 1784 A 109 GLN H A 107 CYS H 1.0 1.973 6.961 1987 1785 A 39 GLU HGy A 44 MET HE% 1.0 1.897 4.285 1988 1786 A 56 LEU HD1% A 54 MET HB2 1.0 1.943 4.701 1989 1787 A 22 LEU HB2 A 22 LEU HD1% 1.0 1.559 2.685 1990 1787 A 22 LEU HB2 A 24 ILE HD1% 1.0 1.559 2.685 1991 1788 A 88 CYS H A 89 VAL HG2% 1.0 1.974 5.116 1992 1789 A 44 MET H A 40 ASP HBx 1.0 1.930 7.566 1993 1789 A 44 MET H A 45 CYS HBx 1.0 1.930 7.566 1994 1790 A 32 PHE HD% A 32 PHE HA 1.0 1.558 2.680 1995 1791 A 22 LEU HD1% A 47 ILE H 1.0 1.977 6.891 1996 1792 A 115 LEU H A 116 ILE HA 1.0 1.934 7.522 1997 1793 A 117 LYS HA A 119 SER H 1.0 1.975 6.925 1998 1794 A 30 GLU HGx A 31 LYS H 1.0 1.993 6.483 1999 1795 A 46 TYR H A 44 MET HB2 1.0 1.958 7.198 2000 1795 A 48 LYS HB3 A 46 TYR H 1.0 1.958 7.198 2001 1796 A 116 ILE HD1% A 113 LEU H 1.0 1.990 6.576 2002 1796 A 113 LEU H A 116 ILE HG1y 1.0 1.990 6.576 2003 1797 A 110 LYS H A 107 CYS HB2 1.0 1.964 7.108 2004 1797 A 106 LYS HA A 110 LYS H 1.0 1.964 7.108 2005 1798 A 35 TRP H A 37 PHE HE% 1.0 1.879 8.095 2006 1799 A 81 VAL HB A 78 ALA H 1.0 1.999 6.179 2007 1799 A 79 GLU HB2 A 78 ALA H 1.0 1.999 6.179 2008 1799 A 80 GLU HB3 A 78 ALA H 1.0 1.999 6.179 2009 1800 A 102 PHE HB3 A 44 MET HGx 1.0 1.920 4.480 2010 1801 A 76 ARG H A 74 HIS HBx 1.0 1.912 7.768 2011 1801 A 76 ARG H A 76 ARG HD2 1.0 1.912 7.768 2012 1801 A 76 ARG H A 76 ARG HD3 1.0 1.912 7.768 2013 1802 A 68 LEU H A 70 HIS H 1.0 2.000 6.120 2014 1803 A 80 GLU HA A 83 THR H 1.0 1.987 5.363 2015 1804 A 29 VAL HG2% A 26 ALA H 1.0 1.989 6.609 2016 1805 A 19 VAL HG2% A 18 CYS H 1.0 1.963 7.127 2017 1806 A 117 LYS HEx A 117 LYS HGy 1.0 1.790 3.616 2018 1807 A 89 VAL HG1% A 100 TRP HE1 1.0 1.994 6.412 2019 1808 A 87 LYS HD2 A 84 GLU HA 1.0 1.711 3.245 2020 1808 A 87 LYS HD3 A 84 GLU HA 1.0 1.711 3.245 2021 1809 A 29 VAL HG2% A 31 LYS H 1.0 1.976 6.894 2022 1809 A 29 VAL HG1% A 31 LYS H 1.0 1.976 6.894 2023 1810 A 45 CYS H A 24 ILE HD1% 1.0 1.964 7.110 2024 1811 A 56 LEU HD2% B 1 ACD H13x 1.0 1.797 3.651 2025 1811 A 56 LEU HD2% A 71 GLN HGx 1.0 1.797 3.651 2026 1812 A 34 LYS HB2 A 34 LYS HA 1.0 1.680 3.120 2027 1813 A 90 ASP H A 63 PRO HDy 1.0 1.916 7.722 2028 1814 A 56 LEU HD2% A 72 LEU H 1.0 1.988 6.622 2029 1814 A 68 LEU HD2% A 72 LEU H 1.0 1.988 6.622 2030 1815 A 66 ASP H A 68 LEU HB2 1.0 2.000 6.032 2031 1816 A 17 GLU HA A 16 THR HG2% 1.0 1.782 3.578 2032 1817 A 72 LEU H A 119 SER HBx 1.0 1.986 6.682 2033 1817 A 73 ALA HA A 72 LEU H 1.0 1.986 6.682 2034 1817 A 70 HIS HA A 72 LEU H 1.0 1.986 6.682 2035 1818 A 72 LEU HA A 71 GLN HE21 1.0 1.902 7.860 2036 1818 A 119 SER HA A 71 GLN HE21 1.0 1.902 7.860 2037 1819 A 67 ASN H A 69 VAL H 1.0 1.957 7.211 2038 1820 A 69 VAL HG1% A 79 GLU H 1.0 1.956 7.240 2039 1821 A 92 ASN H A 92 ASN HD21 1.0 1.986 6.682 2040 1822 A 74 HIS H A 72 LEU HD2% 1.0 1.994 6.428 2041 1822 A 81 VAL HG2% A 74 HIS H 1.0 1.994 6.428 2042 1823 A 48 LYS HG3 A 49 CYS H 1.0 1.999 6.135 2043 1823 A 48 LYS HG2 A 49 CYS H 1.0 1.999 6.135 2044 1824 A 56 LEU H A 54 MET HB2 1.0 1.999 6.193 2045 1825 A 12 GLN H A 13 ARG HBy 1.0 1.994 6.448 2046 1825 A 12 GLN H A 13 ARG HBx 1.0 1.994 6.448 2047 1826 A 103 ARG HA A 106 LYS H 1.0 1.998 5.774 2048 1827 A 20 SER HB3 A 16 THR HG2% 1.0 1.874 4.116 2049 1827 A 20 SER HB2 A 16 THR HG2% 1.0 1.874 4.116 2050 1828 A 86 LEU HD1% A 82 ARG HB3 1.0 1.807 3.709 2051 1828 A 69 VAL HG2% A 82 ARG HB3 1.0 1.807 3.709 2052 1829 A 68 LEU HA A 68 LEU HB2 1.0 1.877 4.139 2053 1830 A 56 LEU HD1% B 1 ACD H13y 1.0 1.762 3.480 2054 1830 A 56 LEU HD1% A 71 GLN HB3 1.0 1.762 3.480 2055 1830 A 56 LEU HD1% B 1 ACD H10y 1.0 1.762 3.480 2056 1831 A 11 LEU HD1% A 15 ARG H 1.0 1.998 6.204 2057 1832 A 106 LYS HGy A 109 GLN HE21 1.0 1.933 7.537 2058 1833 A 31 LYS HDy A 38 PRO HDx 1.0 1.888 4.220 2059 1834 A 62 GLY HAx A 100 TRP HE1 1.0 1.995 6.399 2060 1834 A 90 ASP HB2 A 100 TRP HE1 1.0 1.995 6.399 2061 1835 A 106 LYS HBy A 108 PHE H 1.0 1.982 6.784 2062 1835 A 109 GLN HBx A 108 PHE H 1.0 1.982 6.784 2063 1836 A 85 VAL HG1% A 68 LEU HG 1.0 1.804 3.692 2064 1836 A 85 VAL HG1% A 63 PRO HBx 1.0 1.804 3.692 2065 1837 A 39 GLU HGx A 44 MET HE% 1.0 1.885 4.195 2066 1838 A 102 PHE HB2 A 101 ALA H 1.0 1.976 6.904 2067 1838 A 48 LYS HA A 101 ALA H 1.0 1.976 6.904 2068 1839 A 85 VAL H A 86 LEU HG 1.0 1.992 6.536 2069 1840 A 3 PHE H A 2 GLU HA 1.0 1.602 2.830 2070 1841 A 56 LEU H A 56 LEU HG 1.0 1.978 5.196 2071 1842 A 64 LEU HD2% A 65 VAL H 1.0 1.975 5.119 2072 1843 A 78 ALA HB% A 82 ARG H 1.0 1.998 6.214 2073 1844 A 50 VAL HG1% A 14 TYR HB2 1.0 1.695 3.179 2074 1844 A 50 VAL HG1% A 54 MET HGy 1.0 1.695 3.179 2075 1845 A 63 PRO HA A 58 ASP H 1.0 1.996 5.666 2076 1846 A 86 LEU HD2% A 87 LYS H 1.0 1.999 5.811 2077 1846 A 86 LEU HD1% A 87 LYS H 1.0 1.999 5.811 2078 1847 A 32 PHE H A 31 LYS HGy 1.0 2.000 5.982 2079 1848 A 89 VAL HG1% A 63 PRO HGy 1.0 1.610 2.856 2080 1849 A 55 GLN HB2 A 55 GLN HE22 1.0 1.957 7.217 2081 1850 A 9 GLU HA A 8 THR HG2% 1.0 1.855 3.993 2082 1851 A 13 ARG HGx A 13 ARG HDx 1.0 1.666 3.068 2083 1852 A 102 PHE HB2 A 44 MET HGx 1.0 1.919 4.471 2084 1853 A 36 GLU HBx A 34 LYS H 1.0 1.991 5.473 2085 1853 A 33 LYS HGx A 34 LYS H 1.0 1.991 5.473 2086 1854 A 87 LYS HB2 A 84 GLU HA 1.0 1.783 3.581 2087 1854 A 87 LYS HB3 A 84 GLU HA 1.0 1.783 3.581 2088 1855 A 48 LYS HG3 A 48 LYS H 1.0 1.999 5.969 2089 1855 A 48 LYS HG2 A 48 LYS H 1.0 1.999 5.969 2090 1856 A 111 ASN HD22 A 110 LYS HE3 1.0 1.946 7.376 2091 1856 A 111 ASN HD22 A 110 LYS HE2 1.0 1.946 7.376 2092 1857 A 73 ALA H A 71 GLN HB3 1.0 2.000 5.972 2093 1857 A 73 ALA H A 81 VAL HB 1.0 2.000 5.972 2094 1858 A 100 TRP HB3 A 100 TRP HE1 1.0 1.996 6.378 2095 1858 A 89 VAL HA A 100 TRP HE1 1.0 1.996 6.378 2096 1859 A 107 CYS H A 105 PHE H 1.0 1.975 6.927 2097 1860 A 33 LYS HGy A 33 LYS HB3 1.0 1.800 3.668 2098 1861 A 117 LYS HGx A 117 LYS HGy 1.0 1.576 2.740 2099 1862 A 93 THR H A 103 ARG HH21 1.0 1.712 3.252 2100 1862 A 93 THR H A 103 ARG HH12 1.0 1.712 3.252 2101 1863 A 101 ALA HA A 105 PHE H 1.0 1.955 7.243 2102 1864 A 102 PHE HB3 A 101 ALA H 1.0 1.982 6.784 2103 1865 A 11 LEU HA A 11 LEU HG 1.0 1.800 3.666 2104 1866 A 48 LYS H A 98 CYS HA 1.0 2.000 5.916 2105 1867 A 100 TRP H A 102 PHE HB3 1.0 1.944 7.392 2106 1867 A 100 TRP H A 92 ASN HA 1.0 1.944 7.392 2107 1868 A 56 LEU H A 54 MET HGy 1.0 1.996 6.394 2108 1868 A 56 LEU H A 51 PHE HB3 1.0 1.996 6.394 2109 1869 A 69 VAL HG2% A 82 ARG H 1.0 1.766 3.498 2110 1870 A 104 GLY HAy A 108 PHE H 1.0 1.971 6.995 2111 1871 A 123 ASP HBy A 123 ASP HA 1.0 1.716 3.268 2112 1872 A 53 LYS HB3 A 14 TYR HB3 1.0 1.945 4.735 2113 1873 A 13 ARG H A 13 ARG HGx 1.0 1.997 6.311 2114 1874 A 113 LEU HA A 112 ASN H 1.0 1.962 7.142 2115 1875 A 24 ILE HA A 23 ASN H 1.0 2.000 5.994 2116 1875 A 21 SER HB3 A 23 ASN H 1.0 2.000 5.994 2117 1875 A 21 SER HB2 A 23 ASN H 1.0 2.000 5.994 2118 1875 A 20 SER HB2 A 23 ASN H 1.0 2.000 5.994 2119 1876 A 62 GLY H A 100 TRP HZ2 1.0 1.981 6.807 2120 1877 A 84 GLU HGy A 85 VAL H 1.0 2.000 6.032 2121 1877 A 84 GLU HGx A 85 VAL H 1.0 2.000 6.032 2122 1878 A 54 MET H A 54 MET HGx 1.0 1.988 5.398 2123 1879 A 53 LYS HG3 A 52 ASN H 1.0 1.990 6.598 2124 1879 A 53 LYS HG2 A 52 ASN H 1.0 1.990 6.598 2125 1880 A 106 LYS H A 102 PHE HA 1.0 2.000 6.080 2126 1881 A 97 ALA HB% A 99 HIS H 1.0 1.979 6.853 2127 1882 A 96 ASN HB2 A 96 ASN HD21 1.0 1.987 5.369 2128 1883 A 50 VAL HG1% A 54 MET HGy 1.0 1.926 4.532 2129 1884 A 59 ASP H A 52 ASN HD21 1.0 1.956 7.230 2130 1885 A 89 VAL HG2% A 85 VAL HG1% 1.0 1.515 2.547 2131 1885 A 65 VAL HG2% A 85 VAL HG1% 1.0 1.515 2.547 2132 1886 A 8 THR HG2% A 12 GLN HE22 1.0 1.991 6.569 2133 1887 A 52 ASN HD21 A 57 PHE HB3 1.0 1.941 7.441 2134 1888 A 15 ARG HD3 A 16 THR H 1.0 1.997 6.299 2135 1888 A 15 ARG HD2 A 16 THR H 1.0 1.997 6.299 2136 1889 A 35 TRP H A 35 TRP HD1 1.0 1.802 3.678 2137 1890 A 115 LEU HD2% A 76 ARG HD2 1.0 1.911 4.401 2138 1890 A 115 LEU HD2% A 76 ARG HD3 1.0 1.911 4.401 2139 1891 A 50 VAL HB A 52 ASN H 1.0 1.985 6.713 2140 1892 A 113 LEU HD1% A 109 GLN HE21 1.0 1.970 7.006 2141 1892 A 113 LEU HD2% A 109 GLN HE21 1.0 1.970 7.006 2142 1893 A 55 GLN HB3 A 55 GLN HE22 1.0 1.997 5.745 2143 1893 A 55 GLN HGy A 55 GLN HE22 1.0 1.997 5.745 2144 1894 A 108 PHE HA A 111 ASN HD21 1.0 1.999 5.803 2145 1894 A 107 CYS HA A 111 ASN HD21 1.0 1.999 5.803 2146 1895 A 81 VAL HB A 77 ASP H 1.0 1.988 6.644 2147 1895 A 80 GLU HB3 A 77 ASP H 1.0 1.988 6.644 2148 1896 A 19 VAL HG2% A 24 ILE H 1.0 1.992 6.522 2149 1897 A 56 LEU HD2% A 67 ASN HB3 1.0 1.677 3.107 2150 1898 A 115 LEU H A 116 ILE HG1x 1.0 1.993 6.499 2151 1899 A 115 LEU HD1% A 116 ILE H 1.0 1.993 5.523 2152 1899 A 115 LEU HD2% A 116 ILE H 1.0 1.993 5.523 2153 1900 A 69 VAL HG1% A 82 ARG H 1.0 1.941 4.691 2154 1901 A 106 LYS HGy A 107 CYS H 1.0 1.991 6.571 2155 1902 A 30 GLU H A 26 ALA HB% 1.0 1.994 6.442 2156 1903 A 101 ALA HB% A 100 TRP H 1.0 1.946 7.374 2157 1904 A 25 PRO HGx A 27 ASP H 1.0 1.998 6.274 2158 1904 A 27 ASP H A 25 PRO HGy 1.0 1.998 6.274 2159 1904 A 29 VAL HB A 27 ASP H 1.0 1.998 6.274 2160 1905 A 11 LEU HB3 A 11 LEU HG 1.0 1.772 3.530 2161 1906 A 10 ASP HB2 A 6 SER HBx 1.0 1.859 4.019 2162 1907 A 63 PRO HA A 57 PHE H 1.0 1.994 6.442 2163 1907 A 57 PHE H A 51 PHE HA 1.0 1.994 6.442 2164 1908 A 83 THR H A 85 VAL HB 1.0 1.996 5.650 2165 1908 A 81 VAL HB A 83 THR H 1.0 1.996 5.650 2166 1908 A 80 GLU HB2 A 83 THR H 1.0 1.996 5.650 2167 1908 A 80 GLU HB3 A 83 THR H 1.0 1.996 5.650 2168 1909 A 81 VAL HG2% A 82 ARG H 1.0 1.994 5.548 2169 1910 A 9 GLU HA A 12 GLN HGx 1.0 1.910 4.392 2170 1911 A 82 ARG H A 82 ARG HDy 1.0 1.984 6.738 2171 1912 A 86 LEU HD1% A 82 ARG HGx 1.0 1.673 3.091 2172 1913 A 68 LEU HD2% B 1 ACD H13y 1.0 1.605 2.841 2173 1913 A 68 LEU HD2% A 68 LEU HB2 1.0 1.605 2.841 2174 1914 A 37 PHE HB3 A 109 GLN HE21 1.0 1.947 7.353 2175 1915 A 110 LYS HBy A 110 LYS HGy 1.0 1.771 3.521 2176 1916 A 122 LYS H A 121 LYS H 1.0 1.971 6.981 2177 1917 A 32 PHE H A 31 LYS HGx 1.0 1.984 6.740 2178 1918 A 99 HIS H A 44 MET HB3 1.0 1.969 7.027 2179 1919 A 22 LEU HD2% A 45 CYS HBx 1.0 1.850 3.960 2180 1919 A 45 CYS HBx A 24 ILE HD1% 1.0 1.850 3.960 2181 1920 A 91 LYS HGx A 92 ASN H 1.0 1.987 5.361 2182 1920 A 92 ASN H A 91 LYS HGy 1.0 1.987 5.361 2183 1921 A 56 LEU HD1% B 1 ACD H10x 1.0 1.823 3.795 2184 1922 A 63 PRO HBx A 89 VAL H 1.0 1.992 6.514 2185 1922 A 86 LEU HB3 A 89 VAL H 1.0 1.992 6.514 2186 1923 A 115 LEU HD1% A 119 SER H 1.0 1.996 5.624 2187 1923 A 119 SER H A 72 LEU HD2% 1.0 1.996 5.624 2188 1924 A 31 LYS HE2 A 31 LYS H 1.0 1.983 6.739 2189 1924 A 31 LYS HE3 A 31 LYS H 1.0 1.983 6.739 2190 1925 A 36 GLU HBx A 31 LYS HA 1.0 1.825 3.807 2191 1925 A 36 GLU HBx A 38 PRO HDx 1.0 1.825 3.807 2192 1926 A 110 LYS HBy A 110 LYS HGy 1.0 1.708 3.236 2193 1926 A 110 LYS HGy A 110 LYS HBx 1.0 1.708 3.236 2194 1927 A 100 TRP HH2 A 62 GLY HAx 1.0 1.960 4.906 2195 1928 A 57 PHE H A 52 ASN HD21 1.0 2.000 5.938 2196 1929 A 27 ASP HA A 27 ASP HBx 1.0 1.573 2.731 2197 1930 A 21 SER H A 19 VAL HG1% 1.0 1.971 6.993 2198 1931 A 95 ASN HBy A 96 ASN H 1.0 1.989 6.617 2199 1932 A 120 ILE HD1% A 8 THR HA 1.0 1.750 3.418 2200 1933 A 45 CYS H A 44 MET HE% 1.0 1.951 7.293 2201 1933 A 45 CYS H A 48 LYS HB2 1.0 1.951 7.293 2202 1934 A 15 ARG HB3 A 14 TYR H 1.0 1.990 6.584 2203 1934 A 12 GLN HBy A 14 TYR H 1.0 1.990 6.584 2204 1935 A 58 ASP H A 62 GLY HAx 1.0 1.963 7.123 2205 1936 A 29 VAL HG2% A 32 PHE H 1.0 1.999 5.857 2206 1936 A 29 VAL HG1% A 32 PHE H 1.0 1.999 5.857 2207 1937 A 11 LEU HA A 11 LEU HB2 1.0 1.720 3.284 2208 1938 A 68 LEU HD1% A 69 VAL H 1.0 1.985 5.311 2209 1938 A 68 LEU HD2% A 69 VAL H 1.0 1.985 5.311 2210 1938 A 85 VAL HG1% A 69 VAL H 1.0 1.985 5.311 2211 1939 A 112 ASN H A 110 LYS HBx 1.0 1.996 6.346 2212 1939 A 113 LEU HB3 A 112 ASN H 1.0 1.996 6.346 2213 1940 A 73 ALA HB% A 81 VAL HG1% 1.0 1.625 2.911 2214 1941 A 66 ASP HA A 65 VAL HG1% 1.0 1.835 3.867 2215 1942 A 20 SER HB3 A 19 VAL HG1% 1.0 1.858 4.012 2216 1942 A 20 SER HB2 A 19 VAL HG1% 1.0 1.858 4.012 2217 1943 A 100 TRP HE1 A 103 ARG HH12 1.0 1.924 7.640 2218 1943 A 100 TRP HE1 A 103 ARG HH21 1.0 1.924 7.640 2219 1944 A 85 VAL HG1% A 89 VAL H 1.0 1.999 5.847 2220 1945 A 103 ARG HDx A 103 ARG HH12 1.0 1.917 4.449 2221 1945 A 103 ARG HDx A 103 ARG HH21 1.0 1.917 4.449 2222 1946 A 79 GLU H A 81 VAL HG2% 1.0 1.962 7.144 2223 1947 A 122 LYS HA A 122 LYS HBy 1.0 1.738 3.370 2224 1948 A 82 ARG HGy A 82 ARG H 1.0 2.000 5.968 2225 1949 A 45 CYS H A 44 MET HGx 1.0 1.971 6.991 2226 1949 A 45 CYS H A 47 ILE HG1x 1.0 1.971 6.991 2227 1950 A 8 THR HG2% A 12 GLN HGx 1.0 1.877 4.141 2228 1951 A 113 LEU HD1% A 109 GLN HE22 1.0 1.949 7.327 2229 1951 A 113 LEU HD2% A 109 GLN HE22 1.0 1.949 7.327 2230 1952 A 51 PHE HB2 A 57 PHE HB3 1.0 1.897 4.285 2231 1953 A 109 GLN HBx A 109 GLN HE21 1.0 1.949 7.329 2232 1953 A 106 LYS HBy A 109 GLN HE21 1.0 1.949 7.329 2233 1954 A 19 VAL HG1% A 24 ILE H 1.0 1.970 5.054 2234 1955 A 117 LYS HBx A 117 LYS HGy 1.0 1.788 3.604 2235 1955 A 117 LYS HBy A 117 LYS HGy 1.0 1.788 3.604 2236 1956 A 54 MET HA A 54 MET HGx 1.0 1.692 3.168 2237 1957 A 111 ASN HB3 A 112 ASN HD21 1.0 1.972 6.968 2238 1958 A 11 LEU HA A 14 TYR HE% 1.0 1.944 4.716 2239 1958 A 54 MET HA A 14 TYR HE% 1.0 1.944 4.716 2240 1959 A 12 GLN HA A 13 ARG H 1.0 1.852 3.974 2241 1959 A 113 LEU HA A 115 LEU H 1.0 1.852 3.974 2242 1960 A 30 GLU HGy A 27 ASP HA 1.0 1.805 3.697 2243 1961 A 65 VAL H A 67 ASN H 1.0 1.966 7.078 2244 1962 A 96 ASN HB3 A 96 ASN HD21 1.0 1.994 5.568 2245 1963 A 20 SER HB3 A 19 VAL H 1.0 1.994 6.476 2246 1963 A 20 SER HB2 A 19 VAL H 1.0 1.994 6.476 2247 1964 A 68 LEU H A 68 LEU HG 1.0 1.804 3.692 2248 1965 A 11 LEU HG A 11 LEU HB2 1.0 1.820 3.784 2249 1966 A 90 ASP H A 89 VAL H 1.0 1.990 6.576 2250 1967 A 22 LEU HD2% A 23 ASN H 1.0 1.999 5.827 2251 1967 A 24 ILE HD1% A 23 ASN H 1.0 1.999 5.827 2252 1968 A 112 ASN HD21 A 111 ASN H 1.0 1.951 7.309 2253 1969 A 61 GLU HBy A 58 ASP H 1.0 1.992 6.514 2254 1970 A 69 VAL HA A 73 ALA HB% 1.0 1.836 3.872 2255 1971 A 22 LEU HD1% A 46 TYR HB2 1.0 1.739 3.375 2256 1971 A 22 LEU HD1% A 45 CYS HBy 1.0 1.739 3.375 2257 1972 A 36 GLU HBy A 31 LYS HA 1.0 1.822 3.790 2258 1972 A 36 GLU HBy A 38 PRO HDx 1.0 1.822 3.790 2259 1973 A 60 THR HG2% A 61 GLU HA 1.0 1.819 3.777 2260 1974 A 113 LEU HB2 A 112 ASN H 1.0 1.921 7.667 2261 1975 A 60 THR H A 61 GLU HGy 1.0 1.992 6.506 2262 1976 A 117 LYS HD3 A 114 SER HA 1.0 1.873 4.115 2263 1976 A 117 LYS HD2 A 114 SER HA 1.0 1.873 4.115 2264 1977 A 110 LYS HGy A 110 LYS HE2 1.0 1.854 3.984 2265 1977 A 110 LYS HGy A 110 LYS HE3 1.0 1.854 3.984 2266 1978 A 12 GLN H A 11 LEU HG 1.0 1.996 6.380 2267 1979 A 98 CYS HA A 101 ALA H 1.0 1.996 6.388 2268 1980 A 87 LYS HGy A 87 LYS HD3 1.0 1.600 2.822 2269 1980 A 87 LYS HGy A 87 LYS HD2 1.0 1.600 2.822 2270 1981 A 72 LEU HD2% A 116 ILE HG1x 1.0 1.711 3.249 2271 1981 A 72 LEU HD2% B 1 ACD H13y 1.0 1.711 3.249 2272 1981 A 71 GLN HB3 A 72 LEU HD2% 1.0 1.711 3.249 2273 1982 A 31 LYS H A 32 PHE HB2 1.0 1.947 7.349 2274 1983 A 11 LEU HD1% B 1 ACD H7y 1.0 1.814 3.748 2275 1984 A 53 LYS HD3 A 14 TYR HE% 1.0 1.994 5.576 2276 1984 A 53 LYS HD2 A 14 TYR HE% 1.0 1.994 5.576 2277 1985 A 92 ASN HD22 A 95 ASN H 1.0 1.995 6.427 2278 1986 A 89 VAL HA A 63 PRO HGy 1.0 1.782 3.578 2279 1987 A 87 LYS HD3 A 87 LYS H 1.0 1.977 5.163 2280 1987 A 87 LYS HD2 A 87 LYS H 1.0 1.977 5.163 2281 1988 A 64 LEU HB2 A 66 ASP H 1.0 1.987 6.649 2282 1989 A 106 LYS H A 109 GLN HGy 1.0 1.977 6.869 2283 1990 A 19 VAL HG2% A 24 ILE HG1x 1.0 1.734 3.348 2284 1991 A 48 LYS H A 46 TYR HB3 1.0 1.981 6.789 2285 1991 A 48 LYS H A 49 CYS HB2 1.0 1.981 6.789 2286 1992 A 92 ASN HB2 A 100 TRP HE1 1.0 1.942 7.422 2287 1993 A 53 LYS H A 49 CYS HA 1.0 1.980 6.804 2288 1994 A 110 LYS HGy A 110 LYS HBx 1.0 1.763 3.481 2289 1995 A 120 ILE HD1% A 8 THR HA 1.0 1.644 2.982 2290 1995 A 11 LEU HD2% A 8 THR HA 1.0 1.644 2.982 2291 1996 A 97 ALA HB% A 101 ALA H 1.0 1.996 6.392 2292 1997 A 39 GLU HA A 44 MET HE% 1.0 1.814 3.746 2293 1998 A 44 MET HE% A 44 MET HGx 1.0 1.686 3.144 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _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 14 TYR H A 10 ASP O 1.0 1.73 2.7 2 2 A 15 ARG H A 11 LEU O 1.0 1.73 2.7 3 3 A 18 CYS H A 14 TYR O 1.0 1.73 2.7 4 4 A 19 VAL H A 15 ARG O 1.0 1.73 2.7 5 5 A 29 VAL H A 25 PRO O 1.0 1.73 2.7 6 6 A 36 GLU H A 31 LYS O 1.0 1.73 2.7 7 7 A 40 ASP H A 38 PRO O 1.0 1.73 3.0 8 8 A 43 THR H A 40 ASP OD1 1.0 1.73 3.2 9 9 A 44 MET H A 40 ASP O 1.0 1.73 2.7 10 10 A 46 TYR H A 42 THR O 1.0 1.73 2.7 11 11 A 47 ILE H A 43 THR O 1.0 1.73 2.7 12 12 A 48 LYS H A 44 MET O 1.0 1.73 2.7 13 13 A 49 CYS H A 45 CYS O 1.0 1.73 2.7 14 14 A 50 VAL H A 46 TYR O 1.0 1.73 2.7 15 15 A 51 PHE H A 47 ILE O 1.0 1.73 2.7 16 16 A 52 ASN H A 48 LYS O 1.0 1.73 2.7 17 17 A 53 LYS H A 49 CYS O 1.0 1.73 2.7 18 18 A 54 MET H A 50 VAL O 1.0 1.73 2.7 19 19 A 55 GLN H A 52 ASN O 1.0 1.73 2.7 20 20 A 56 LEU H A 51 PHE O 1.0 1.73 2.7 21 21 A 57 PHE H A 51 PHE O 1.0 1.73 2.7 22 22 A 58 ASP H A 62 GLY O 1.0 1.73 2.7 23 23 A 62 GLY H A 58 ASP O 1.0 1.73 2.7 24 24 A 64 LEU H A 56 LEU O 1.0 1.73 2.7 25 25 A 68 LEU H A 64 LEU O 1.0 1.73 2.7 26 26 A 71 GLN H A 67 ASN O 1.0 1.73 2.7 27 27 A 72 LEU H A 68 LEU O 1.0 1.73 2.7 28 28 A 69 VAL H A 65 VAL O 1.0 1.73 2.7 29 29 A 73 ALA H A 69 VAL O 1.0 1.73 2.7 30 30 A 85 VAL H A 81 VAL O 1.0 1.73 2.7 31 31 A 86 LEU H A 82 ARG O 1.0 1.73 2.7 32 32 A 100 TRP H A 96 ASN O 1.0 1.73 2.7 33 33 A 100 TRP HE1 A 90 ASP O 1.0 1.73 2.7 34 34 A 101 ALA H A 97 ALA O 1.0 1.73 2.7 35 35 A 102 PHE H A 98 CYS O 1.0 1.73 2.7 36 36 A 105 PHE H A 101 ALA O 1.0 1.73 2.7 37 37 A 106 LYS H A 102 PHE O 1.0 1.73 2.7 38 38 A 107 CYS H A 103 ARG O 1.0 1.73 2.7 39 39 A 108 PHE H A 104 GLY O 1.0 1.73 2.7 40 40 A 109 GLN H A 105 PHE O 1.0 1.73 2.7 41 41 A 32 PHE H A 28 TYR O 1.0 1.73 2.7 42 42 A 36 GLU H A 31 LYS O 1.0 1.73 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 2 GLU C A 3 PHE N A 3 PHE CA A 3 PHE C 1.0 -130.0 -28.44 PHI 2 2 A 3 PHE N A 3 PHE CA A 3 PHE C A 4 THR N 1.0 100.0 162.10 PSI 3 3 A 3 PHE C A 4 THR N A 4 THR CA A 4 THR C 1.0 -170.0 -98.96 PHI 4 4 A 4 THR N A 4 THR CA A 4 THR C A 5 VAL N 1.0 110.0 187.28 PSI 5 5 A 4 THR C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -150.0 -70.62 PHI 6 6 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 SER N 1.0 90.0 164.10 PSI 7 7 A 5 VAL C A 6 SER N A 6 SER CA A 6 SER C 1.0 -160.0 11.20 PHI 8 8 A 6 SER N A 6 SER CA A 6 SER C A 7 THR N 1.0 90.0 178.84 PSI 9 9 A 6 SER C A 7 THR N A 7 THR CA A 7 THR C 1.0 -110.0 -60.00 PHI 10 10 A 7 THR N A 7 THR CA A 7 THR C A 8 THR N 1.0 140.0 190.00 PSI 11 11 A 7 THR C A 8 THR N A 8 THR CA A 8 THR C 1.0 -80.0 -45.62 PHI 12 12 A 8 THR N A 8 THR CA A 8 THR C A 9 GLU N 1.0 -60.0 -12.02 PSI 13 13 A 8 THR C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -90.0 -39.90 PHI 14 14 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 ASP N 1.0 -70.0 -18.00 PSI 15 15 A 9 GLU C A 10 ASP N A 10 ASP CA A 10 ASP C 1.0 -80.0 -49.16 PHI 16 16 A 10 ASP N A 10 ASP CA A 10 ASP C A 11 LEU N 1.0 -70.0 -19.70 PSI 17 17 A 10 ASP C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -90.0 -36.44 PHI 18 18 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 GLN N 1.0 -70.0 -16.18 PSI 19 19 A 11 LEU C A 12 GLN N A 12 GLN CA A 12 GLN C 1.0 -90.0 -38.58 PHI 20 20 A 12 GLN N A 12 GLN CA A 12 GLN C A 13 ARG N 1.0 -70.0 -19.48 PSI 21 21 A 12 GLN C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -90.0 -34.40 PHI 22 22 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 TYR N 1.0 -70.0 -10.80 PSI 23 23 A 13 ARG C A 14 TYR N A 14 TYR CA A 14 TYR C 1.0 -90.0 -39.88 PHI 24 24 A 14 TYR N A 14 TYR CA A 14 TYR C A 15 ARG N 1.0 -70.0 -15.96 PSI 25 25 A 14 TYR C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -90.0 -31.08 PHI 26 26 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 THR N 1.0 -70.0 -18.18 PSI 27 27 A 15 ARG C A 16 THR N A 16 THR CA A 16 THR C 1.0 -80.0 -43.66 PHI 28 28 A 16 THR N A 16 THR CA A 16 THR C A 17 GLU N 1.0 -70.0 -12.52 PSI 29 29 A 16 THR C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -90.0 -38.86 PHI 30 30 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 CYS N 1.0 -70.0 -2.46 PSI 31 31 A 17 GLU C A 18 CYS N A 18 CYS CA A 18 CYS C 1.0 -90.0 -40.04 PHI 32 32 A 18 CYS N A 18 CYS CA A 18 CYS C A 19 VAL N 1.0 -60.0 -29.58 PSI 33 33 A 18 CYS C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -80.0 -43.34 PHI 34 34 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 SER N 1.0 -70.0 -17.92 PSI 35 35 A 19 VAL C A 20 SER N A 20 SER CA A 20 SER C 1.0 -90.0 -39.80 PHI 36 36 A 20 SER N A 20 SER CA A 20 SER C A 21 SER N 1.0 -70.0 -13.02 PSI 37 37 A 20 SER C A 21 SER N A 21 SER CA A 21 SER C 1.0 -90.0 -38.72 PHI 38 38 A 21 SER N A 21 SER CA A 21 SER C A 22 LEU N 1.0 -60.0 7.14 PSI 39 39 A 21 SER C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -120.0 -69.76 PHI 40 40 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 ASN N 1.0 -20.0 27.82 PSI 41 41 A 22 LEU C A 23 ASN N A 23 ASN CA A 23 ASN C 1.0 40.0 82.44 PHI 42 42 A 23 ASN N A 23 ASN CA A 23 ASN C A 24 ILE N 1.0 -10.0 83.32 PSI 43 43 A 23 ASN C A 24 ILE N A 24 ILE CA A 24 ILE C 1.0 -160.0 -15.96 PHI 44 44 A 24 ILE N A 24 ILE CA A 24 ILE C A 25 PRO N 1.0 90.0 169.62 PSI 45 45 A 24 ILE C A 25 PRO N A 25 PRO CA A 25 PRO C 1.0 -90.0 -27.94 PHI 46 46 A 25 PRO N A 25 PRO CA A 25 PRO C A 26 ALA N 1.0 120.0 170.02 PSI 47 47 A 25 PRO C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -80.0 -31.56 PHI 48 48 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 ASP N 1.0 -70.0 -25.26 PSI 49 49 A 26 ALA C A 27 ASP N A 27 ASP CA A 27 ASP C 1.0 -90.0 -39.58 PHI 50 50 A 27 ASP N A 27 ASP CA A 27 ASP C A 28 TYR N 1.0 -60.0 -17.06 PSI 51 51 A 27 ASP C A 28 TYR N A 28 TYR CA A 28 TYR C 1.0 -90.0 -39.16 PHI 52 52 A 28 TYR N A 28 TYR CA A 28 TYR C A 29 VAL N 1.0 -70.0 -19.48 PSI 53 53 A 28 TYR C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -90.0 -39.60 PHI 54 54 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 GLU N 1.0 -70.0 -19.04 PSI 55 55 A 29 VAL C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -80.0 -36.18 PHI 56 56 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 LYS N 1.0 -70.0 -18.76 PSI 57 57 A 30 GLU C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -90.0 -40.22 PHI 58 58 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 PHE N 1.0 -70.0 -18.76 PSI 59 59 A 31 LYS C A 32 PHE N A 32 PHE CA A 32 PHE C 1.0 -90.0 -36.62 PHI 60 60 A 32 PHE N A 32 PHE CA A 32 PHE C A 33 LYS N 1.0 -70.0 -10.94 PSI 61 61 A 32 PHE C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -80.0 -49.68 PHI 62 62 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 LYS N 1.0 -60.0 10.14 PSI 63 63 A 33 LYS C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -120.0 -64.58 PHI 64 64 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 TRP N 1.0 -30.0 32.92 PSI 65 65 A 34 LYS C A 35 TRP N A 35 TRP CA A 35 TRP C 1.0 40.0 70.16 PHI 66 66 A 35 TRP N A 35 TRP CA A 35 TRP C A 36 GLU N 1.0 20.0 67.44 PSI 67 67 A 35 TRP C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -180.0 -76.36 PHI 68 68 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 PHE N 1.0 110.0 195.98 PSI 69 69 A 36 GLU C A 37 PHE N A 37 PHE CA A 37 PHE C 1.0 -150.0 -114.30 PHI 70 70 A 37 PHE N A 37 PHE CA A 37 PHE C A 38 PRO N 1.0 50.0 106.54 PSI 71 71 A 37 PHE C A 38 PRO N A 38 PRO CA A 38 PRO C 1.0 -90.0 -40.04 PHI 72 72 A 38 PRO N A 38 PRO CA A 38 PRO C A 39 GLU N 1.0 120.0 171.94 PSI 73 73 A 39 GLU C A 40 ASP N A 40 ASP CA A 40 ASP C 1.0 -180.0 -85.62 PHI 74 74 A 40 ASP N A 40 ASP CA A 40 ASP C A 41 ASP N 1.0 100.0 215.76 PSI 75 75 A 40 ASP C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -80.0 -30.36 PHI 76 76 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 THR N 1.0 -70.0 -14.38 PSI 77 77 A 41 ASP C A 42 THR N A 42 THR CA A 42 THR C 1.0 -90.0 -37.94 PHI 78 78 A 42 THR N A 42 THR CA A 42 THR C A 43 THR N 1.0 -70.0 -15.66 PSI 79 79 A 42 THR C A 43 THR N A 43 THR CA A 43 THR C 1.0 -90.0 -39.72 PHI 80 80 A 43 THR N A 43 THR CA A 43 THR C A 44 MET N 1.0 -70.0 -19.60 PSI 81 81 A 43 THR C A 44 MET N A 44 MET CA A 44 MET C 1.0 -80.0 -48.78 PHI 82 82 A 44 MET N A 44 MET CA A 44 MET C A 45 CYS N 1.0 -70.0 -19.32 PSI 83 83 A 44 MET C A 45 CYS N A 45 CYS CA A 45 CYS C 1.0 -100.0 -35.02 PHI 84 84 A 45 CYS N A 45 CYS CA A 45 CYS C A 46 TYR N 1.0 -70.0 -10.86 PSI 85 85 A 45 CYS C A 46 TYR N A 46 TYR CA A 46 TYR C 1.0 -90.0 -39.18 PHI 86 86 A 46 TYR N A 46 TYR CA A 46 TYR C A 47 ILE N 1.0 -70.0 -16.86 PSI 87 87 A 46 TYR C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -90.0 -40.20 PHI 88 88 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 LYS N 1.0 -70.0 -0.18 PSI 89 89 A 47 ILE C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -80.0 -44.40 PHI 90 90 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 CYS N 1.0 -70.0 -15.14 PSI 91 91 A 48 LYS C A 49 CYS N A 49 CYS CA A 49 CYS C 1.0 -90.0 -39.42 PHI 92 92 A 49 CYS N A 49 CYS CA A 49 CYS C A 50 VAL N 1.0 -60.0 -28.78 PSI 93 93 A 49 CYS C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -90.0 -39.48 PHI 94 94 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 PHE N 1.0 -60.0 -29.10 PSI 95 95 A 50 VAL C A 51 PHE N A 51 PHE CA A 51 PHE C 1.0 -90.0 -39.62 PHI 96 96 A 51 PHE N A 51 PHE CA A 51 PHE C A 52 ASN N 1.0 -60.0 -11.74 PSI 97 97 A 51 PHE C A 52 ASN N A 52 ASN CA A 52 ASN C 1.0 -90.0 -40.06 PHI 98 98 A 52 ASN N A 52 ASN CA A 52 ASN C A 53 LYS N 1.0 -70.0 -3.78 PSI 99 99 A 52 ASN C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -90.0 -38.32 PHI 100 100 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 MET N 1.0 -60.0 10.04 PSI 101 101 A 53 LYS C A 54 MET N A 54 MET CA A 54 MET C 1.0 -120.0 -53.22 PHI 102 102 A 54 MET N A 54 MET CA A 54 MET C A 55 GLN N 1.0 -30.0 22.20 PSI 103 103 A 54 MET C A 55 GLN N A 55 GLN CA A 55 GLN C 1.0 40.0 70.00 PHI 104 104 A 55 GLN N A 55 GLN CA A 55 GLN C A 56 LEU N 1.0 20.0 69.58 PSI 105 105 A 55 GLN C A 56 LEU N A 56 LEU CA A 56 LEU C 1.0 -140.0 -66.00 PHI 106 106 A 56 LEU N A 56 LEU CA A 56 LEU C A 57 PHE N 1.0 -40.0 20.00 PSI 107 107 A 56 LEU C A 57 PHE N A 57 PHE CA A 57 PHE C 1.0 -180.0 -1.94 PHI 108 108 A 57 PHE N A 57 PHE CA A 57 PHE C A 58 ASP N 1.0 90.0 177.06 PSI 109 109 A 57 PHE C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -170.0 -23.70 PHI 110 110 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 ASP N 1.0 80.0 189.04 PSI 111 111 A 58 ASP C A 59 ASP N A 59 ASP CA A 59 ASP C 1.0 -90.0 -23.22 PHI 112 112 A 59 ASP N A 59 ASP CA A 59 ASP C A 60 THR N 1.0 -50.0 2.00 PSI 113 113 A 60 THR C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -120.0 -63.12 PHI 114 114 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 GLY N 1.0 -40.0 26.46 PSI 115 115 A 62 GLY C A 63 PRO N A 63 PRO CA A 63 PRO C 1.0 -90.0 -37.00 PHI 116 116 A 63 PRO N A 63 PRO CA A 63 PRO C A 64 LEU N 1.0 120.0 176.26 PSI 117 117 A 64 LEU C A 65 VAL N A 65 VAL CA A 65 VAL C 1.0 -80.0 -30.40 PHI 118 118 A 65 VAL N A 65 VAL CA A 65 VAL C A 66 ASP N 1.0 -70.0 -22.22 PSI 119 119 A 65 VAL C A 66 ASP N A 66 ASP CA A 66 ASP C 1.0 -90.0 -35.22 PHI 120 120 A 66 ASP N A 66 ASP CA A 66 ASP C A 67 ASN N 1.0 -70.0 -14.08 PSI 121 121 A 66 ASP C A 67 ASN N A 67 ASN CA A 67 ASN C 1.0 -90.0 -38.90 PHI 122 122 A 67 ASN N A 67 ASN CA A 67 ASN C A 68 LEU N 1.0 -70.0 -16.54 PSI 123 123 A 67 ASN C A 68 LEU N A 68 LEU CA A 68 LEU C 1.0 -90.0 -39.88 PHI 124 124 A 68 LEU N A 68 LEU CA A 68 LEU C A 69 VAL N 1.0 -60.0 -29.10 PSI 125 125 A 68 LEU C A 69 VAL N A 69 VAL CA A 69 VAL C 1.0 -80.0 -49.28 PHI 126 126 A 69 VAL N A 69 VAL CA A 69 VAL C A 70 HIS N 1.0 -70.0 -19.58 PSI 127 127 A 69 VAL C A 70 HIS N A 70 HIS CA A 70 HIS C 1.0 -80.0 -41.80 PHI 128 128 A 70 HIS N A 70 HIS CA A 70 HIS C A 71 GLN N 1.0 -70.0 -8.36 PSI 129 129 A 70 HIS C A 71 GLN N A 71 GLN CA A 71 GLN C 1.0 -90.0 -40.04 PHI 130 130 A 71 GLN N A 71 GLN CA A 71 GLN C A 72 LEU N 1.0 -60.0 -12.62 PSI 131 131 A 71 GLN C A 72 LEU N A 72 LEU CA A 72 LEU C 1.0 -90.0 -58.34 PHI 132 132 A 72 LEU N A 72 LEU CA A 72 LEU C A 73 ALA N 1.0 -60.0 -8.44 PSI 133 133 A 72 LEU C A 73 ALA N A 73 ALA CA A 73 ALA C 1.0 -150.0 -33.22 PHI 134 134 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 HIS N 1.0 -40.0 31.72 PSI 135 135 A 74 HIS C A 75 GLY N A 75 GLY CA A 75 GLY C 1.0 70.0 100.00 PHI 136 136 A 75 GLY N A 75 GLY CA A 75 GLY C A 76 ARG N 1.0 50.0 312.00 PSI 137 137 A 77 ASP C A 78 ALA N A 78 ALA CA A 78 ALA C 1.0 -90.0 -31.78 PHI 138 138 A 78 ALA N A 78 ALA CA A 78 ALA C A 79 GLU N 1.0 -70.0 -2.66 PSI 139 139 A 78 ALA C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -80.0 -49.90 PHI 140 140 A 79 GLU N A 79 GLU CA A 79 GLU C A 80 GLU N 1.0 -60.0 -27.34 PSI 141 141 A 79 GLU C A 80 GLU N A 80 GLU CA A 80 GLU C 1.0 -90.0 -40.00 PHI 142 142 A 80 GLU N A 80 GLU CA A 80 GLU C A 81 VAL N 1.0 -70.0 -19.66 PSI 143 143 A 80 GLU C A 81 VAL N A 81 VAL CA A 81 VAL C 1.0 -90.0 -39.76 PHI 144 144 A 81 VAL N A 81 VAL CA A 81 VAL C A 82 ARG N 1.0 -70.0 -14.22 PSI 145 145 A 81 VAL C A 82 ARG N A 82 ARG CA A 82 ARG C 1.0 -80.0 -34.30 PHI 146 146 A 82 ARG N A 82 ARG CA A 82 ARG C A 83 THR N 1.0 -70.0 -18.14 PSI 147 147 A 82 ARG C A 83 THR N A 83 THR CA A 83 THR C 1.0 -90.0 -39.78 PHI 148 148 A 83 THR N A 83 THR CA A 83 THR C A 84 GLU N 1.0 -60.0 -27.48 PSI 149 149 A 83 THR C A 84 GLU N A 84 GLU CA A 84 GLU C 1.0 -80.0 -48.90 PHI 150 150 A 84 GLU N A 84 GLU CA A 84 GLU C A 85 VAL N 1.0 -70.0 -17.94 PSI 151 151 A 84 GLU C A 85 VAL N A 85 VAL CA A 85 VAL C 1.0 -90.0 -40.00 PHI 152 152 A 85 VAL N A 85 VAL CA A 85 VAL C A 86 LEU N 1.0 -60.0 -29.52 PSI 153 153 A 85 VAL C A 86 LEU N A 86 LEU CA A 86 LEU C 1.0 -90.0 -30.76 PHI 154 154 A 86 LEU N A 86 LEU CA A 86 LEU C A 87 LYS N 1.0 -70.0 -11.48 PSI 155 155 A 86 LEU C A 87 LYS N A 87 LYS CA A 87 LYS C 1.0 -90.0 -31.06 PHI 156 156 A 87 LYS N A 87 LYS CA A 87 LYS C A 88 CYS N 1.0 -60.0 0.28 PSI 157 157 A 87 LYS C A 88 CYS N A 88 CYS CA A 88 CYS C 1.0 -120.0 -71.68 PHI 158 158 A 88 CYS N A 88 CYS CA A 88 CYS C A 89 VAL N 1.0 -30.0 39.88 PSI 159 159 A 88 CYS C A 89 VAL N A 89 VAL CA A 89 VAL C 1.0 -110.0 -33.78 PHI 160 160 A 89 VAL N A 89 VAL CA A 89 VAL C A 90 ASP N 1.0 100.0 159.66 PSI 161 161 A 89 VAL C A 90 ASP N A 90 ASP CA A 90 ASP C 1.0 -180.0 -104.74 PHI 162 162 A 90 ASP N A 90 ASP CA A 90 ASP C A 91 LYS N 1.0 100.0 200.36 PSI 163 163 A 90 ASP C A 91 LYS N A 91 LYS CA A 91 LYS C 1.0 -100.0 -49.90 PHI 164 164 A 91 LYS N A 91 LYS CA A 91 LYS C A 92 ASN N 1.0 110.0 193.18 PSI 165 165 A 92 ASN C A 93 THR N A 93 THR CA A 93 THR C 1.0 -90.0 -40.00 PHI 166 166 A 93 THR N A 93 THR CA A 93 THR C A 94 ASP N 1.0 -50.0 2.54 PSI 167 167 A 93 THR C A 94 ASP N A 94 ASP CA A 94 ASP C 1.0 -130.0 -49.38 PHI 168 168 A 94 ASP N A 94 ASP CA A 94 ASP C A 95 ASN N 1.0 -30.0 25.20 PSI 169 169 A 94 ASP C A 95 ASN N A 95 ASN CA A 95 ASN C 1.0 45.0 65.00 PHI 170 170 A 95 ASN N A 95 ASN CA A 95 ASN C A 96 ASN N 1.0 20.0 58.00 PSI 171 171 A 96 ASN C A 97 ALA N A 97 ALA CA A 97 ALA C 1.0 -90.0 -22.22 PHI 172 172 A 97 ALA N A 97 ALA CA A 97 ALA C A 98 CYS N 1.0 -70.0 -18.72 PSI 173 173 A 97 ALA C A 98 CYS N A 98 CYS CA A 98 CYS C 1.0 -80.0 -38.52 PHI 174 174 A 98 CYS N A 98 CYS CA A 98 CYS C A 99 HIS N 1.0 -70.0 -18.96 PSI 175 175 A 98 CYS C A 99 HIS N A 99 HIS CA A 99 HIS C 1.0 -90.0 -35.56 PHI 176 176 A 99 HIS N A 99 HIS CA A 99 HIS C A 100 TRP N 1.0 -70.0 -8.66 PSI 177 177 A 99 HIS C A 100 TRP N A 100 TRP CA A 100 TRP C 1.0 -90.0 -39.74 PHI 178 178 A 100 TRP N A 100 TRP CA A 100 TRP C A 101 ALA N 1.0 -70.0 -5.70 PSI 179 179 A 100 TRP C A 101 ALA N A 101 ALA CA A 101 ALA C 1.0 -90.0 -38.88 PHI 180 180 A 101 ALA N A 101 ALA CA A 101 ALA C A 102 PHE N 1.0 -70.0 -9.26 PSI 181 181 A 101 ALA C A 102 PHE N A 102 PHE CA A 102 PHE C 1.0 -80.0 -49.38 PHI 182 182 A 102 PHE N A 102 PHE CA A 102 PHE C A 103 ARG N 1.0 -70.0 -19.82 PSI 183 183 A 102 PHE C A 103 ARG N A 103 ARG CA A 103 ARG C 1.0 -90.0 -35.38 PHI 184 184 A 103 ARG N A 103 ARG CA A 103 ARG C A 104 GLY N 1.0 -70.0 -8.80 PSI 185 185 A 103 ARG C A 104 GLY N A 104 GLY CA A 104 GLY C 1.0 -90.0 -39.98 PHI 186 186 A 104 GLY N A 104 GLY CA A 104 GLY C A 105 PHE N 1.0 -70.0 -7.88 PSI 187 187 A 104 GLY C A 105 PHE N A 105 PHE CA A 105 PHE C 1.0 -80.0 -49.54 PHI 188 188 A 105 PHE N A 105 PHE CA A 105 PHE C A 106 LYS N 1.0 -70.0 -18.56 PSI 189 189 A 105 PHE C A 106 LYS N A 106 LYS CA A 106 LYS C 1.0 -90.0 -38.32 PHI 190 190 A 106 LYS N A 106 LYS CA A 106 LYS C A 107 CYS N 1.0 -70.0 -5.66 PSI 191 191 A 106 LYS C A 107 CYS N A 107 CYS CA A 107 CYS C 1.0 -90.0 -40.30 PHI 192 192 A 107 CYS N A 107 CYS CA A 107 CYS C A 108 PHE N 1.0 -70.0 -17.96 PSI 193 193 A 107 CYS C A 108 PHE N A 108 PHE CA A 108 PHE C 1.0 -90.0 -37.98 PHI 194 194 A 108 PHE N A 108 PHE CA A 108 PHE C A 109 GLN N 1.0 -70.0 -12.48 PSI 195 195 A 108 PHE C A 109 GLN N A 109 GLN CA A 109 GLN C 1.0 -90.0 -38.58 PHI 196 196 A 109 GLN N A 109 GLN CA A 109 GLN C A 110 LYS N 1.0 -60.0 7.84 PSI 197 197 A 109 GLN C A 110 LYS N A 110 LYS CA A 110 LYS C 1.0 -90.0 -31.16 PHI 198 198 A 110 LYS N A 110 LYS CA A 110 LYS C A 111 ASN N 1.0 -70.0 -3.40 PSI 199 199 A 110 LYS C A 111 ASN N A 111 ASN CA A 111 ASN C 1.0 -130.0 -31.08 PHI 200 200 A 111 ASN N A 111 ASN CA A 111 ASN C A 112 ASN N 1.0 -70.0 10.18 PSI 201 201 A 112 ASN C A 113 LEU N A 113 LEU CA A 113 LEU C 1.0 -90.0 -22.98 PHI 202 202 A 113 LEU N A 113 LEU CA A 113 LEU C A 114 SER N 1.0 -60.0 -11.04 PSI 203 203 A 113 LEU C A 114 SER N A 114 SER CA A 114 SER C 1.0 -90.0 -36.32 PHI 204 204 A 114 SER N A 114 SER CA A 114 SER C A 115 LEU N 1.0 -70.0 -11.72 PSI 205 205 A 114 SER C A 115 LEU N A 115 LEU CA A 115 LEU C 1.0 -90.0 -39.92 PHI 206 206 A 115 LEU N A 115 LEU CA A 115 LEU C A 116 ILE N 1.0 -70.0 -19.58 PSI 207 207 A 115 LEU C A 116 ILE N A 116 ILE CA A 116 ILE C 1.0 -90.0 -39.40 PHI 208 208 A 116 ILE N A 116 ILE CA A 116 ILE C A 117 LYS N 1.0 -70.0 -18.36 PSI 209 209 A 116 ILE C A 117 LYS N A 117 LYS CA A 117 LYS C 1.0 -80.0 -48.68 PHI 210 210 A 117 LYS N A 117 LYS CA A 117 LYS C A 118 ALA N 1.0 -70.0 -19.80 PSI 211 211 A 117 LYS C A 118 ALA N A 118 ALA CA A 118 ALA C 1.0 -90.0 -35.12 PHI 212 212 A 118 ALA N A 118 ALA CA A 118 ALA C A 119 SER N 1.0 -70.0 -11.26 PSI 213 213 A 118 ALA C A 119 SER N A 119 SER CA A 119 SER C 1.0 -90.0 -33.56 PHI 214 214 A 119 SER N A 119 SER CA A 119 SER C A 120 ILE N 1.0 -60.0 1.38 PSI 215 215 A 119 SER C A 120 ILE N A 120 ILE CA A 120 ILE C 1.0 -120.0 -85.84 PHI 216 216 A 120 ILE N A 120 ILE CA A 120 ILE C A 121 LYS N 1.0 -30.0 36.50 PSI 217 217 A 120 ILE C A 121 LYS N A 121 LYS CA A 121 LYS C 1.0 -90.0 -41.18 PHI 218 218 A 121 LYS N A 121 LYS CA A 121 LYS C A 122 LYS N 1.0 120.0 183.66 PSI 219 219 A 11 LEU CA A 11 LEU CB A 11 LEU CG A 11 LEU CD2 1.0 165.0 195.00 . 220 220 A 56 LEU CA A 56 LEU CB A 56 LEU CG A 56 LEU CD1 1.0 165.0 195.00 CHI2 221 221 A 68 LEU CA A 68 LEU CB A 68 LEU CG A 68 LEU CD1 1.0 145.0 175.00 CHI2 222 222 A 72 LEU CA A 72 LEU CB A 72 LEU CG A 72 LEU CD1 1.0 160.0 190.00 CHI2 223 223 A 86 LEU CA A 86 LEU CB A 86 LEU CG A 86 LEU CD1 1.0 165.0 195.00 CHI2 224 224 A 113 LEU CA A 113 LEU CB A 113 LEU CG A 113 LEU CD2 1.0 165.0 195.00 . 225 225 A 115 LEU CA A 115 LEU CB A 115 LEU CG A 115 LEU CD2 1.0 165.0 195.00 . stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 2 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 Hz . . 14044 . . . . 2 Hz . . 3000 . . . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 2 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 15 . . . . 2 ppm . . 80 . . . . stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 2 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 15 . . . . 2 ppm . . 30 . . . . stop_ save_ save_spectral_peak_list_4 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_4 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 15 . . . . 2 ppm . . 75 . . . . 3 ppm . . 14 . . . . stop_ save_ save_spectral_peak_list_5 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_5 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 15 . . . . 2 ppm . . 30 . aliased . . 3 ppm . . 14 . . . . stop_ save_ save_spectral_peak_list_6 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_6 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 15 . . . . 2 ppm . . 34 . . . . 3 ppm . . 14 . . . . stop_ save_ save_spectral_peak_list_7 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_7 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 15 . . . . 2 ppm . . 30 . aliased . . 3 ppm . . 14 . . . . stop_ save_ save_spectral_peak_list_8 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_8 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 15 . . . . 2 ppm . . 30 . aliased . . 3 ppm . . 14 . . . . stop_ save_ save_spectral_peak_list_9 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_9 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 15 . . . . 2 ppm . . 34 . . . . 3 ppm . . 14 . . . . stop_ save_