data_nef_c17062_2l0s save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 17063 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 4 CYS SG 1 81 CYS SG 1 25 CYS SG 1 64 CYS SG 1 53 CYS SG 1 76 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 -3 THR start . . 2 A -2 TYR middle . . 3 A -1 GLN middle . . 4 A 1 CYS middle -HG . 5 A 2 LEU middle . . 6 A 3 LYS middle . . 7 A 4 GLY middle . false 8 A 5 THR middle . . 9 A 6 GLY middle . false 10 A 7 GLU middle . . 11 A 8 ASN middle . . 12 A 9 TYR middle . . 13 A 10 ARG middle . . 14 A 11 GLY middle . false 15 A 12 ASN middle . . 16 A 13 VAL middle . . 17 A 14 ALA middle . . 18 A 15 VAL middle . . 19 A 16 THR middle . . 20 A 17 VAL middle . . 21 A 18 SER middle . . 22 A 19 GLY middle . false 23 A 20 HIS middle . . 24 A 21 THR middle . . 25 A 22 CYS middle -HG . 26 A 23 GLN middle . . 27 A 24 HIS middle . . 28 A 25 TRP middle . . 29 A 26 SER middle . . 30 A 27 ALA middle . . 31 A 28 GLN middle . . 32 A 29 THR middle . . 33 A 30 PRO middle . true 34 A 31 HIS middle . . 35 A 32 THR middle . . 36 A 33 HIS middle . . 37 A 34 ASN middle . . 38 A 36 ARG middle . . 39 A 37 THR middle . . 40 A 38 PRO middle . false 41 A 39 GLU middle . . 42 A 40 ASN middle . . 43 A 41 PHE middle . . 44 A 42 PRO middle . false 45 A 43 SER middle . . 46 A 44 LYS middle . . 47 A 45 ASN middle . . 48 A 46 LEU middle . . 49 A 47 ASP middle . . 50 A 48 GLU middle . . 51 A 49 ASN middle . . 52 A 50 TYR middle . . 53 A 51 CYS middle -HG . 54 A 52 ARG middle . . 55 A 53 ASN middle . . 56 A 54 PRO middle . false 57 A 55 ASP middle . . 58 A 56 GLY middle . false 59 A 57 LYS middle . . 60 A 59 ARG middle . . 61 A 60 ALA middle . . 62 A 61 PRO middle . false 63 A 62 TRP middle . . 64 A 63 CYS middle -HG . 65 A 64 HIS middle . . 66 A 65 THR middle . . 67 A 66 THR middle . . 68 A 67 ASN middle . . 69 A 68 SER middle . . 70 A 69 GLN middle . . 71 A 70 VAL middle . . 72 A 71 ARG middle . . 73 A 72 TRP middle . . 74 A 73 GLU middle . . 75 A 74 TYR middle . . 76 A 75 CYS middle -HG . 77 A 76 LYS middle . . 78 A 77 ILE middle . . 79 A 78 PRO middle . false 80 A 79 SER middle . . 81 A 80 CYS middle -HG . 82 A 81 ASP middle . . 83 A 82 SER end . . stop_ save_ save_Chemical_shifts_at_pH*_5.7 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode Chemical_shifts_at_pH*_5.7 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A -3 THR HA H 1 3.766 0.014 A -3 THR HB H 1 4.106 0.006 A -3 THR HG1 H 1 1.320 0.003 A -3 THR HG2% H 1 1.192 0.006 A -2 TYR H H 1 8.011 0.016 A -2 TYR HA H 1 4.224 0.000 A -2 TYR N N 15 121.763 0.031 A -1 GLN H H 1 8.867 0.019 A -1 GLN HA H 1 4.372 0.012 A -1 GLN HBx H 1 1.878 0.009 A -1 GLN HBy H 1 2.238 0.005 A -1 GLN HE21 H 1 7.311 0.010 A -1 GLN HE22 H 1 6.699 0.020 A -1 GLN HG2 H 1 2.574 0.017 A -1 GLN N N 15 122.276 0.033 A -1 GLN NE2 N 15 112.244 0.028 A 1 CYS H H 1 7.963 0.012 A 1 CYS HA H 1 4.971 0.008 A 1 CYS HBx H 1 3.065 0.014 A 1 CYS HBy H 1 3.335 0.008 A 1 CYS N N 15 116.219 0.035 A 2 LEU H H 1 9.314 0.020 A 2 LEU HA H 1 4.321 0.012 A 2 LEU HBx H 1 1.030 0.012 A 2 LEU HBy H 1 1.662 0.013 A 2 LEU HDx% H 1 0.658 0.013 A 2 LEU HDy% H 1 0.852 0.004 A 2 LEU HG H 1 1.328 0.012 A 2 LEU N N 15 121.691 0.041 A 3 LYS H H 1 9.114 0.012 A 3 LYS HA H 1 4.597 0.014 A 3 LYS HBx H 1 1.584 0.018 A 3 LYS HBy H 1 1.805 0.010 A 3 LYS HDx H 1 1.565 0.013 A 3 LYS HDy H 1 2.186 0.010 A 3 LYS HE2 H 1 2.870 0.008 A 3 LYS HG2 H 1 1.324 0.010 A 3 LYS N N 15 130.786 0.022 A 4 GLY H H 1 9.091 0.033 A 4 GLY HAx H 1 3.799 0.012 A 4 GLY HAy H 1 4.124 0.013 A 4 GLY N N 15 115.742 0.058 A 5 THR H H 1 8.768 0.013 A 5 THR HA H 1 4.348 0.012 A 5 THR HB H 1 4.430 0.015 A 5 THR HG2% H 1 1.268 0.004 A 5 THR N N 15 115.710 0.027 A 6 GLY H H 1 8.702 0.010 A 6 GLY HAx H 1 3.844 0.017 A 6 GLY HAy H 1 4.241 0.015 A 6 GLY N N 15 107.629 0.016 A 7 GLU H H 1 8.750 0.016 A 7 GLU HA H 1 4.210 0.010 A 7 GLU HB2 H 1 2.084 0.010 A 7 GLU HGx H 1 2.329 0.012 A 7 GLU HGy H 1 2.394 0.019 A 7 GLU N N 15 122.787 0.039 A 8 ASN H H 1 8.289 0.009 A 8 ASN HA H 1 4.852 0.018 A 8 ASN HB2 H 1 2.906 0.022 A 8 ASN HB3 H 1 2.876 0.018 A 8 ASN HD21 H 1 7.629 0.009 A 8 ASN HD22 H 1 6.493 0.013 A 8 ASN N N 15 113.510 0.022 A 8 ASN ND2 N 15 111.920 0.056 A 9 TYR H H 1 7.520 0.018 A 9 TYR HA H 1 4.389 0.013 A 9 TYR HBx H 1 3.056 0.018 A 9 TYR HBy H 1 3.332 0.015 A 9 TYR HDx H 1 7.155 0.008 A 9 TYR HDy H 1 7.155 0.008 A 9 TYR HEx H 1 6.838 0.011 A 9 TYR HEy H 1 6.838 0.011 A 9 TYR N N 15 120.230 0.068 A 10 ARG H H 1 8.527 0.029 A 10 ARG HA H 1 4.242 0.012 A 10 ARG HBx H 1 1.549 0.011 A 10 ARG HBy H 1 1.983 0.012 A 10 ARG HDx H 1 3.003 0.017 A 10 ARG HDy H 1 3.214 0.016 A 10 ARG HE H 1 7.681 0.003 A 10 ARG HG2 H 1 1.317 0.012 A 10 ARG N N 15 128.678 0.031 A 10 ARG NE N 15 115.603 0.017 A 11 GLY H H 1 4.465 0.007 A 11 GLY HAx H 1 3.475 0.013 A 11 GLY HAy H 1 4.226 0.025 A 11 GLY N N 15 104.578 0.000 A 12 ASN H H 1 7.986 0.012 A 12 ASN HA H 1 3.866 0.010 A 12 ASN HB2 H 1 2.547 0.013 A 12 ASN HB3 H 1 2.350 0.015 A 12 ASN HD21 H 1 7.828 0.007 A 12 ASN HD22 H 1 7.090 0.022 A 12 ASN N N 15 114.453 0.028 A 12 ASN ND2 N 15 111.056 0.045 A 13 VAL H H 1 7.429 0.009 A 13 VAL HA H 1 3.788 0.006 A 13 VAL HB H 1 2.071 0.007 A 13 VAL HGx% H 1 1.154 0.006 A 13 VAL HGy% H 1 1.337 0.008 A 13 VAL N N 15 121.422 0.047 A 14 ALA H H 1 8.706 0.014 A 14 ALA HA H 1 5.117 0.012 A 14 ALA HB% H 1 1.385 0.011 A 14 ALA N N 15 131.747 0.044 A 15 VAL H H 1 7.400 0.011 A 15 VAL HA H 1 5.289 0.012 A 15 VAL HB H 1 1.890 0.010 A 15 VAL HGx% H 1 0.922 0.015 A 15 VAL HGy% H 1 0.956 0.016 A 15 VAL N N 15 117.367 0.041 A 16 THR H H 1 8.893 0.023 A 16 THR HA H 1 4.738 0.010 A 16 THR HB H 1 4.746 0.006 A 16 THR HG2% H 1 1.256 0.009 A 16 THR N N 15 113.667 0.028 A 17 VAL H H 1 8.939 0.012 A 17 VAL HA H 1 3.893 0.008 A 17 VAL HB H 1 2.000 0.011 A 17 VAL HGx% H 1 0.956 0.012 A 17 VAL HGy% H 1 0.971 0.013 A 17 VAL N N 15 116.929 0.040 A 18 SER H H 1 7.750 0.047 A 18 SER HA H 1 4.528 0.007 A 18 SER HBx H 1 3.723 0.011 A 18 SER HBy H 1 3.970 0.019 A 18 SER N N 15 113.560 0.038 A 19 GLY H H 1 8.048 0.007 A 19 GLY HAx H 1 3.466 0.012 A 19 GLY HAy H 1 4.052 0.011 A 19 GLY N N 15 108.268 0.026 A 20 HIS H H 1 7.184 0.019 A 20 HIS HA H 1 4.742 0.014 A 20 HIS HBx H 1 3.146 0.023 A 20 HIS HBy H 1 3.225 0.017 A 20 HIS HD1 H 1 6.601 0.010 A 20 HIS HD2 H 1 7.148 0.009 A 20 HIS HE1 H 1 7.867 0.002 A 20 HIS N N 15 118.046 0.029 A 20 HIS ND1 N 15 131.269 0.014 A 21 THR H H 1 9.277 0.027 A 21 THR HA H 1 4.344 0.011 A 21 THR HB H 1 4.195 0.008 A 21 THR HG2% H 1 1.410 0.008 A 21 THR N N 15 119.926 0.024 A 22 CYS H H 1 7.883 0.043 A 22 CYS HA H 1 4.878 0.031 A 22 CYS HBx H 1 2.694 0.010 A 22 CYS HBy H 1 2.992 0.019 A 22 CYS N N 15 123.889 0.025 A 23 GLN H H 1 9.537 0.019 A 23 GLN HA H 1 4.054 0.008 A 23 GLN HBx H 1 1.103 0.016 A 23 GLN HBy H 1 1.760 0.011 A 23 GLN HE21 H 1 5.948 0.006 A 23 GLN HE22 H 1 7.580 0.017 A 23 GLN HG2 H 1 2.543 0.015 A 23 GLN N N 15 127.196 0.034 A 23 GLN NE2 N 15 108.927 0.042 A 24 HIS H H 1 9.166 0.013 A 24 HIS HA H 1 3.970 0.011 A 24 HIS HBx H 1 2.968 0.019 A 24 HIS HBy H 1 3.052 0.015 A 24 HIS HD1 H 1 7.882 0.017 A 24 HIS HD2 H 1 7.493 0.017 A 24 HIS HE2 H 1 7.044 0.019 A 24 HIS N N 15 127.381 0.060 A 25 TRP H H 1 7.730 0.010 A 25 TRP HA H 1 4.324 0.018 A 25 TRP HBx H 1 3.147 0.016 A 25 TRP HBy H 1 3.856 0.014 A 25 TRP HD1 H 1 7.013 0.010 A 25 TRP HE1 H 1 11.556 0.004 A 25 TRP HE3 H 1 8.306 0.015 A 25 TRP HH2 H 1 4.895 0.004 A 25 TRP HZ2 H 1 7.631 0.013 A 25 TRP HZ3 H 1 6.285 0.007 A 25 TRP N N 15 124.858 0.019 A 25 TRP NE1 N 15 132.206 0.007 A 26 SER H H 1 8.636 0.006 A 26 SER HA H 1 4.459 0.008 A 26 SER HBx H 1 4.017 0.018 A 26 SER HBy H 1 4.239 0.014 A 26 SER N N 15 107.681 0.101 A 27 ALA H H 1 7.995 0.022 A 27 ALA HA H 1 4.727 0.011 A 27 ALA HB% H 1 1.684 0.012 A 27 ALA N N 15 125.091 0.022 A 28 GLN H H 1 8.529 0.007 A 28 GLN HA H 1 4.499 0.015 A 28 GLN HBx H 1 1.410 0.015 A 28 GLN HBy H 1 2.716 0.010 A 28 GLN HE21 H 1 7.399 0.010 A 28 GLN HE22 H 1 5.879 0.007 A 28 GLN HG2 H 1 2.115 0.012 A 28 GLN N N 15 117.843 0.030 A 28 GLN NE2 N 15 112.764 0.054 A 29 THR H H 1 6.822 0.012 A 29 THR HA H 1 4.347 0.008 A 29 THR HB H 1 3.882 0.011 A 29 THR HG2% H 1 1.069 0.006 A 29 THR N N 15 111.895 0.070 A 30 PRO HA H 1 4.600 0.003 A 30 PRO HB2 H 1 2.119 0.006 A 30 PRO HDx H 1 3.245 0.009 A 30 PRO HDy H 1 3.952 0.009 A 30 PRO HGx H 1 1.406 0.013 A 30 PRO HGy H 1 1.519 0.005 A 31 HIS H H 1 8.253 0.026 A 31 HIS HA H 1 5.001 0.004 A 31 HIS HBx H 1 2.841 0.025 A 31 HIS HBy H 1 2.914 0.017 A 31 HIS HD2 H 1 7.171 0.010 A 31 HIS HE1 H 1 8.059 0.007 A 31 HIS N N 15 120.920 0.063 A 32 THR H H 1 8.662 0.011 A 32 THR HA H 1 4.740 0.012 A 32 THR HB H 1 4.271 0.014 A 32 THR HG2% H 1 1.390 0.010 A 32 THR N N 15 117.521 0.012 A 33 HIS H H 1 9.603 0.020 A 33 HIS HA H 1 4.818 0.028 A 33 HIS HBx H 1 2.699 0.017 A 33 HIS HBy H 1 3.145 0.018 A 33 HIS HD2 H 1 6.843 0.007 A 33 HIS HE1 H 1 8.282 0.014 A 33 HIS N N 15 122.270 0.028 A 34 ASN H H 1 8.838 0.039 A 34 ASN HA H 1 5.002 0.005 A 34 ASN HBx H 1 2.796 0.018 A 34 ASN HBy H 1 3.238 0.018 A 34 ASN HD21 H 1 7.076 0.006 A 34 ASN HD22 H 1 7.173 0.016 A 34 ASN N N 15 117.607 0.034 A 34 ASN ND2 N 15 112.414 0.010 A 36 ARG H H 1 8.464 0.008 A 36 ARG HA H 1 4.194 0.016 A 36 ARG HBx H 1 1.892 0.017 A 36 ARG HBy H 1 2.240 0.009 A 36 ARG HDx H 1 2.326 0.017 A 36 ARG HDy H 1 3.407 0.012 A 36 ARG HE H 1 7.290 0.012 A 36 ARG HGx H 1 1.411 0.011 A 36 ARG HGy H 1 1.982 0.011 A 36 ARG N N 15 119.984 0.061 A 36 ARG NE N 15 115.603 0.032 A 37 THR H H 1 7.344 0.008 A 37 THR HA H 1 5.003 0.011 A 37 THR HB H 1 4.718 0.011 A 37 THR HG2% H 1 1.099 0.013 A 37 THR N N 15 104.936 0.055 A 38 PRO HA H 1 4.293 0.011 A 38 PRO HBx H 1 1.905 0.016 A 38 PRO HBy H 1 2.464 0.011 A 38 PRO HDx H 1 3.781 0.002 A 38 PRO HDy H 1 3.974 0.011 A 38 PRO HGx H 1 2.254 0.010 A 38 PRO HGy H 1 3.242 0.015 A 39 GLU H H 1 8.368 0.026 A 39 GLU HA H 1 3.971 0.007 A 39 GLU HBx H 1 1.895 0.013 A 39 GLU HBy H 1 1.975 0.028 A 39 GLU HGx H 1 2.213 0.012 A 39 GLU HGy H 1 2.387 0.011 A 39 GLU N N 15 113.254 0.017 A 40 ASN H H 1 7.824 0.015 A 40 ASN HA H 1 4.837 0.016 A 40 ASN HBx H 1 2.694 0.013 A 40 ASN HBy H 1 2.830 0.009 A 40 ASN HD21 H 1 6.980 0.010 A 40 ASN HD22 H 1 7.662 0.003 A 40 ASN N N 15 117.575 0.073 A 40 ASN ND2 N 15 110.986 0.102 A 41 PHE H H 1 7.556 0.012 A 41 PHE HA H 1 4.587 0.010 A 41 PHE HBx H 1 2.584 0.013 A 41 PHE HBy H 1 2.975 0.017 A 41 PHE HDx H 1 7.341 0.008 A 41 PHE HDy H 1 7.341 0.008 A 41 PHE HEx H 1 7.567 0.006 A 41 PHE HEy H 1 7.567 0.006 A 41 PHE HZ H 1 7.295 0.016 A 41 PHE N N 15 116.824 0.023 A 42 PRO HA H 1 4.578 0.013 A 42 PRO HBx H 1 2.124 0.009 A 42 PRO HBy H 1 2.327 0.013 A 42 PRO HDx H 1 3.297 0.005 A 42 PRO HDy H 1 3.479 0.003 A 42 PRO HGx H 1 1.963 0.012 A 42 PRO HGy H 1 2.026 0.010 A 43 SER H H 1 8.339 0.015 A 43 SER HA H 1 4.631 0.017 A 43 SER HBx H 1 3.899 0.010 A 43 SER HBy H 1 4.145 0.008 A 43 SER N N 15 112.310 0.026 A 44 LYS H H 1 7.336 0.013 A 44 LYS HA H 1 4.451 0.012 A 44 LYS HBx H 1 1.689 0.018 A 44 LYS HBy H 1 1.929 0.011 A 44 LYS HG2 H 1 1.891 0.008 A 44 LYS N N 15 117.304 0.036 A 45 ASN H H 1 8.052 0.016 A 45 ASN HA H 1 4.156 0.007 A 45 ASN HBx H 1 2.705 0.014 A 45 ASN HBy H 1 2.957 0.013 A 45 ASN HD21 H 1 6.833 0.009 A 45 ASN HD22 H 1 7.884 0.019 A 45 ASN N N 15 114.823 0.034 A 45 ASN ND2 N 15 112.589 0.025 A 46 LEU H H 1 9.091 0.014 A 46 LEU HA H 1 3.478 0.012 A 46 LEU HBx H 1 0.476 0.014 A 46 LEU HBy H 1 1.462 0.015 A 46 LEU HDx% H 1 -0.966 0.008 A 46 LEU HDy% H 1 0.214 0.005 A 46 LEU HG H 1 0.925 0.008 A 46 LEU N N 15 122.527 0.017 A 47 ASP H H 1 7.561 0.009 A 47 ASP HA H 1 4.597 0.008 A 47 ASP HBx H 1 2.455 0.018 A 47 ASP HBy H 1 2.704 0.012 A 47 ASP N N 15 123.183 0.026 A 48 GLU H H 1 8.844 0.019 A 48 GLU HA H 1 3.723 0.008 A 48 GLU HBx H 1 0.657 0.012 A 48 GLU HBy H 1 1.242 0.012 A 48 GLU HGx H 1 2.137 0.020 A 48 GLU HGy H 1 2.240 0.010 A 48 GLU N N 15 115.419 0.015 A 49 ASN H H 1 7.395 0.006 A 49 ASN HA H 1 4.236 0.014 A 49 ASN HBx H 1 2.010 0.006 A 49 ASN HBy H 1 2.235 0.012 A 49 ASN HD21 H 1 7.490 0.003 A 49 ASN HD22 H 1 6.948 0.012 A 49 ASN N N 15 122.626 0.042 A 49 ASN ND2 N 15 108.342 0.010 A 50 TYR H H 1 7.562 0.016 A 50 TYR HA H 1 4.842 0.008 A 50 TYR HBx H 1 2.782 0.016 A 50 TYR HBy H 1 3.415 0.013 A 50 TYR HDx H 1 6.919 0.007 A 50 TYR HDy H 1 6.919 0.007 A 50 TYR HEx H 1 6.844 0.005 A 50 TYR HEy H 1 6.844 0.005 A 50 TYR N N 15 114.499 0.016 A 51 CYS H H 1 9.356 0.011 A 51 CYS HA H 1 4.551 0.013 A 51 CYS HBx H 1 2.447 0.013 A 51 CYS HBy H 1 3.485 0.010 A 51 CYS N N 15 118.738 0.040 A 52 ARG H H 1 9.161 0.010 A 52 ARG HA H 1 5.022 0.017 A 52 ARG HBx H 1 1.497 0.013 A 52 ARG HBy H 1 1.880 0.014 A 52 ARG HDx H 1 3.061 0.013 A 52 ARG HDy H 1 3.637 0.010 A 52 ARG HE H 1 7.870 0.016 A 52 ARG HG2 H 1 1.164 0.017 A 52 ARG N N 15 123.892 0.024 A 52 ARG NE N 15 115.685 0.016 A 53 ASN H H 1 8.613 0.012 A 53 ASN HA H 1 5.609 0.013 A 53 ASN HBx H 1 2.054 0.015 A 53 ASN HBy H 1 2.787 0.015 A 53 ASN HD21 H 1 6.922 0.007 A 53 ASN N N 15 112.798 0.017 A 53 ASN ND2 N 15 106.218 0.048 A 54 PRO HA H 1 4.239 0.016 A 54 PRO HDx H 1 2.427 0.007 A 54 PRO HDy H 1 3.717 0.006 A 54 PRO HGx H 1 1.015 0.007 A 54 PRO HGy H 1 1.480 0.019 A 55 ASP H H 1 9.042 0.028 A 55 ASP HA H 1 4.665 0.015 A 55 ASP HBx H 1 1.980 0.013 A 55 ASP HBy H 1 3.023 0.017 A 55 ASP N N 15 116.160 0.047 A 56 GLY H H 1 8.021 0.034 A 56 GLY HA2 H 1 3.844 0.019 A 56 GLY N N 15 109.034 0.012 A 57 LYS H H 1 8.776 0.013 A 57 LYS HA H 1 4.505 0.012 A 57 LYS HBx H 1 1.976 0.012 A 57 LYS HBy H 1 2.550 0.016 A 57 LYS HGx H 1 0.882 0.013 A 57 LYS HGy H 1 1.544 0.013 A 57 LYS N N 15 119.384 0.031 A 59 ARG H H 1 8.004 0.008 A 59 ARG HA H 1 4.073 0.009 A 59 ARG HBx H 1 1.481 0.011 A 59 ARG HBy H 1 1.626 0.014 A 59 ARG HD3 H 1 3.085 0.008 A 59 ARG HE H 1 6.983 0.011 A 59 ARG HG2 H 1 1.700 0.009 A 59 ARG N N 15 116.393 0.042 A 59 ARG NE N 15 114.159 0.030 A 60 ALA H H 1 7.699 0.012 A 60 ALA HA H 1 4.755 0.011 A 60 ALA HB% H 1 1.231 0.010 A 60 ALA N N 15 118.493 0.023 A 61 PRO HA H 1 4.329 0.018 A 61 PRO HBx H 1 1.487 0.021 A 61 PRO HBy H 1 1.874 0.018 A 61 PRO HDx H 1 3.415 0.009 A 61 PRO HDy H 1 3.808 0.006 A 61 PRO HGx H 1 1.401 0.012 A 61 PRO HGy H 1 1.987 0.006 A 62 TRP H H 1 9.207 0.016 A 62 TRP HA H 1 5.623 0.012 A 62 TRP HB2 H 1 3.362 0.012 A 62 TRP HB3 H 1 3.487 0.010 A 62 TRP HD1 H 1 7.890 0.007 A 62 TRP HE1 H 1 10.490 0.022 A 62 TRP HE3 H 1 7.157 0.007 A 62 TRP HH2 H 1 6.769 0.006 A 62 TRP HZ2 H 1 7.375 0.011 A 62 TRP HZ3 H 1 5.234 0.004 A 62 TRP N N 15 121.705 0.039 A 62 TRP NE1 N 15 130.229 0.023 A 63 CYS H H 1 8.569 0.010 A 63 CYS HA H 1 4.341 0.008 A 63 CYS HBx H 1 2.956 0.036 A 63 CYS HBy H 1 3.076 0.013 A 63 CYS N N 15 108.801 0.019 A 64 HIS H H 1 7.499 0.014 A 64 HIS HA H 1 5.721 0.017 A 64 HIS HBx H 1 2.307 0.011 A 64 HIS HBy H 1 3.192 0.018 A 64 HIS HD2 H 1 6.571 0.034 A 64 HIS HE1 H 1 7.361 0.011 A 64 HIS N N 15 119.207 0.027 A 65 THR H H 1 7.460 0.013 A 65 THR HA H 1 5.614 0.014 A 65 THR HB H 1 4.345 0.010 A 65 THR HG1 H 1 1.260 0.014 A 65 THR HG2% H 1 1.020 0.003 A 65 THR N N 15 111.832 0.020 A 66 THR H H 1 8.493 0.019 A 66 THR HA H 1 4.062 0.009 A 66 THR HB H 1 4.628 0.015 A 66 THR HG1 H 1 5.556 0.000 A 66 THR HG2% H 1 1.119 0.008 A 66 THR N N 15 104.862 0.156 A 67 ASN H H 1 8.857 0.031 A 67 ASN HA H 1 4.737 0.008 A 67 ASN HBx H 1 2.431 0.017 A 67 ASN HBy H 1 2.600 0.022 A 67 ASN HD21 H 1 6.851 0.011 A 67 ASN HD22 H 1 7.507 0.013 A 67 ASN N N 15 123.463 0.027 A 67 ASN ND2 N 15 112.292 0.029 A 68 SER H H 1 8.750 0.022 A 68 SER HA H 1 4.740 0.007 A 68 SER HBx H 1 3.719 0.017 A 68 SER HBy H 1 3.989 0.009 A 68 SER N N 15 117.662 0.052 A 69 GLN H H 1 8.457 0.016 A 69 GLN HA H 1 4.373 0.006 A 69 GLN HBx H 1 1.934 0.015 A 69 GLN HBy H 1 2.234 0.000 A 69 GLN HE21 H 1 6.669 0.004 A 69 GLN HE22 H 1 7.099 0.005 A 69 GLN HGx H 1 2.351 0.017 A 69 GLN HGy H 1 2.395 0.011 A 69 GLN N N 15 117.474 0.026 A 69 GLN NE2 N 15 109.707 0.134 A 70 VAL H H 1 7.436 0.028 A 70 VAL HA H 1 4.051 0.009 A 70 VAL HB H 1 1.508 0.013 A 70 VAL HGx% H 1 0.456 0.008 A 70 VAL HGy% H 1 0.502 0.008 A 70 VAL N N 15 120.461 0.035 A 71 ARG H H 1 8.615 0.014 A 71 ARG HA H 1 2.004 0.014 A 71 ARG HB2 H 1 1.764 0.022 A 71 ARG HD3 H 1 3.129 0.003 A 71 ARG HE H 1 7.164 0.013 A 71 ARG HG2 H 1 1.321 0.010 A 71 ARG N N 15 128.301 0.035 A 71 ARG NE N 15 114.701 0.007 A 72 TRP H H 1 7.359 0.013 A 72 TRP HA H 1 5.308 0.008 A 72 TRP HB2 H 1 2.857 0.014 A 72 TRP HB3 H 1 3.216 0.011 A 72 TRP HD1 H 1 6.723 0.007 A 72 TRP HE1 H 1 9.835 0.011 A 72 TRP HE3 H 1 6.770 0.012 A 72 TRP HH2 H 1 6.646 0.014 A 72 TRP HZ2 H 1 7.174 0.013 A 72 TRP HZ3 H 1 5.078 0.004 A 72 TRP N N 15 108.809 0.027 A 72 TRP NE1 N 15 129.305 0.015 A 73 GLU H H 1 8.576 0.016 A 73 GLU HA H 1 3.671 0.007 A 73 GLU HBx H 1 1.777 0.013 A 73 GLU HBy H 1 2.188 0.013 A 73 GLU HGx H 1 2.536 0.000 A 73 GLU HGy H 1 2.604 0.013 A 73 GLU N N 15 117.752 0.025 A 74 TYR H H 1 7.798 0.031 A 74 TYR HA H 1 5.019 0.008 A 74 TYR HBx H 1 2.690 0.016 A 74 TYR HBy H 1 3.371 0.020 A 74 TYR HDx H 1 7.480 0.006 A 74 TYR HDy H 1 7.480 0.006 A 74 TYR HEx H 1 7.107 0.008 A 74 TYR HEy H 1 7.107 0.008 A 74 TYR N N 15 117.897 0.152 A 75 CYS H H 1 8.726 0.012 A 75 CYS HA H 1 4.862 0.011 A 75 CYS HB2 H 1 3.075 0.018 A 75 CYS N N 15 116.608 0.014 A 76 LYS H H 1 9.595 0.020 A 76 LYS HA H 1 4.449 0.006 A 76 LYS HBx H 1 1.394 0.013 A 76 LYS HBy H 1 1.890 0.011 A 76 LYS HD2 H 1 1.648 0.012 A 76 LYS HE2 H 1 2.943 0.014 A 76 LYS HGx H 1 0.658 0.010 A 76 LYS HGy H 1 1.175 0.013 A 76 LYS N N 15 126.306 0.071 A 77 ILE H H 1 8.339 0.006 A 77 ILE HA H 1 4.512 0.005 A 77 ILE HB H 1 1.570 0.011 A 77 ILE HD1% H 1 0.301 0.006 A 77 ILE HG1x H 1 0.763 0.007 A 77 ILE HG1y H 1 1.051 0.010 A 77 ILE HG2% H 1 0.639 0.010 A 77 ILE N N 15 128.691 0.040 A 78 PRO HA H 1 3.980 0.016 A 78 PRO HBx H 1 1.973 0.015 A 78 PRO HBy H 1 2.346 0.016 A 78 PRO HDx H 1 3.727 0.009 A 78 PRO HDy H 1 3.816 0.013 A 78 PRO HGx H 1 2.025 0.021 A 78 PRO HGy H 1 2.130 0.005 A 79 SER H H 1 8.850 0.010 A 79 SER HA H 1 4.718 0.013 A 79 SER HBx H 1 2.679 0.014 A 79 SER HBy H 1 3.387 0.017 A 79 SER N N 15 122.923 0.065 A 80 CYS H H 1 8.670 0.014 A 80 CYS HA H 1 4.672 0.005 A 80 CYS HBx H 1 2.632 0.014 A 80 CYS HBy H 1 2.783 0.013 A 80 CYS N N 15 121.128 0.087 A 81 ASP H H 1 7.803 0.015 A 81 ASP HA H 1 4.245 0.009 A 81 ASP HBx H 1 3.715 0.008 A 81 ASP HBy H 1 3.862 0.007 A 81 ASP N N 15 120.307 0.138 stop_ save_ save_Chemical_shifts_at_pH*_7.0 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode Chemical_shifts_at_pH*_7.0 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A -1 GLN HE21 H 1 7.326 0.000 A -1 GLN HE22 H 1 6.653 0.000 A -1 GLN NE2 N 15 112.047 0.000 A 1 CYS H H 1 7.932 0.000 A 1 CYS N N 15 115.850 0.000 A 2 LEU H H 1 9.318 0.000 A 2 LEU N N 15 121.534 0.000 A 3 LYS H H 1 9.085 0.000 A 3 LYS N N 15 130.948 0.000 A 5 THR H H 1 8.760 0.000 A 5 THR N N 15 115.801 0.000 A 6 GLY H H 1 8.704 0.000 A 6 GLY N N 15 107.609 0.000 A 7 GLU H H 1 8.759 0.000 A 7 GLU N N 15 122.721 0.000 A 8 ASN HD21 H 1 7.634 0.000 A 8 ASN HD22 H 1 6.493 0.000 A 8 ASN ND2 N 15 111.777 0.000 A 9 TYR H H 1 7.492 0.000 A 9 TYR N N 15 119.908 0.000 A 10 ARG H H 1 8.639 0.000 A 10 ARG N N 15 128.689 0.000 A 12 ASN H H 1 7.983 0.000 A 12 ASN HD21 H 1 7.832 0.000 A 12 ASN HD22 H 1 7.081 0.000 A 12 ASN N N 15 114.386 0.000 A 12 ASN ND2 N 15 111.072 0.000 A 13 VAL H H 1 7.441 0.000 A 13 VAL N N 15 121.420 0.000 A 14 ALA H H 1 8.685 0.000 A 14 ALA N N 15 131.833 0.000 A 15 VAL H H 1 7.401 0.000 A 15 VAL N N 15 117.542 0.000 A 16 THR H H 1 8.908 0.000 A 16 THR N N 15 113.983 0.000 A 17 VAL H H 1 8.915 0.000 A 17 VAL N N 15 117.352 0.000 A 18 SER H H 1 7.918 0.000 A 18 SER N N 15 113.900 0.000 A 19 GLY H H 1 8.046 0.000 A 19 GLY N N 15 107.802 0.000 A 20 HIS H H 1 7.111 0.000 A 20 HIS N N 15 119.171 0.000 A 21 THR H H 1 9.293 0.000 A 21 THR N N 15 119.913 0.000 A 22 CYS H H 1 7.966 0.000 A 22 CYS N N 15 124.049 0.000 A 23 GLN H H 1 9.556 0.000 A 23 GLN HE21 H 1 5.909 0.000 A 23 GLN HE22 H 1 7.587 0.000 A 23 GLN N N 15 127.362 0.000 A 23 GLN NE2 N 15 108.449 0.000 A 24 HIS H H 1 9.001 0.000 A 24 HIS N N 15 128.335 0.000 A 25 TRP H H 1 7.719 0.000 A 25 TRP HE1 H 1 11.546 0.000 A 25 TRP N N 15 124.418 0.000 A 25 TRP NE1 N 15 132.096 0.000 A 26 SER H H 1 8.626 0.000 A 26 SER N N 15 107.436 0.000 A 27 ALA H H 1 8.046 0.000 A 27 ALA N N 15 125.283 0.000 A 28 GLN H H 1 8.489 0.000 A 28 GLN HE21 H 1 7.344 0.000 A 28 GLN HE22 H 1 5.852 0.000 A 28 GLN N N 15 117.674 0.000 A 28 GLN NE2 N 15 112.594 0.000 A 29 THR H H 1 6.813 0.000 A 29 THR N N 15 112.136 0.000 A 31 HIS H H 1 8.313 0.000 A 31 HIS N N 15 122.008 0.000 A 32 THR H H 1 8.662 0.000 A 32 THR N N 15 116.983 0.000 A 33 HIS H H 1 9.619 0.000 A 33 HIS N N 15 122.837 0.000 A 34 ASN H H 1 8.833 0.000 A 34 ASN HD21 H 1 6.981 0.000 A 34 ASN HD22 H 1 7.095 0.000 A 34 ASN N N 15 117.567 0.000 A 34 ASN ND2 N 15 112.086 0.000 A 37 THR H H 1 7.336 0.000 A 37 THR N N 15 104.386 0.000 A 39 GLU H H 1 8.357 0.000 A 39 GLU N N 15 113.128 0.000 A 40 ASN H H 1 7.823 0.000 A 40 ASN HD21 H 1 6.987 0.000 A 40 ASN HD22 H 1 7.674 0.000 A 40 ASN N N 15 117.627 0.000 A 40 ASN ND2 N 15 110.852 0.000 A 41 PHE H H 1 7.545 0.000 A 41 PHE N N 15 116.798 0.000 A 44 LYS H H 1 7.332 0.000 A 44 LYS N N 15 117.221 0.000 A 45 ASN H H 1 8.075 0.000 A 45 ASN HD21 H 1 6.820 0.000 A 45 ASN HD22 H 1 7.879 0.000 A 45 ASN N N 15 114.751 0.000 A 45 ASN ND2 N 15 112.673 0.000 A 46 LEU H H 1 9.045 0.000 A 46 LEU N N 15 122.371 0.000 A 47 ASP H H 1 7.555 0.000 A 47 ASP N N 15 123.419 0.000 A 48 GLU H H 1 8.788 0.000 A 48 GLU N N 15 115.456 0.000 A 49 ASN H H 1 7.378 0.000 A 49 ASN HD21 H 1 7.504 0.000 A 49 ASN HD22 H 1 6.918 0.000 A 49 ASN N N 15 122.445 0.000 A 49 ASN ND2 N 15 108.176 0.000 A 50 TYR H H 1 7.522 0.000 A 50 TYR N N 15 114.379 0.000 A 51 CYS H H 1 9.355 0.000 A 51 CYS N N 15 118.619 0.000 A 52 ARG H H 1 9.166 0.000 A 52 ARG N N 15 123.898 0.000 A 53 ASN H H 1 8.587 0.000 A 53 ASN HD21 H 1 6.919 0.000 A 53 ASN N N 15 112.719 0.000 A 53 ASN ND2 N 15 106.231 0.000 A 55 ASP H H 1 9.033 0.000 A 55 ASP N N 15 116.062 0.000 A 56 GLY H H 1 8.023 0.000 A 56 GLY N N 15 108.998 0.000 A 57 LYS H H 1 8.777 0.000 A 57 LYS N N 15 119.357 0.000 A 59 ARG H H 1 7.993 0.000 A 59 ARG N N 15 116.384 0.000 A 60 ALA H H 1 7.696 0.000 A 60 ALA N N 15 118.400 0.000 A 62 TRP H H 1 9.228 0.000 A 62 TRP HE1 H 1 10.463 0.000 A 62 TRP N N 15 121.866 0.000 A 62 TRP NE1 N 15 130.031 0.000 A 63 CYS H H 1 8.501 0.000 A 63 CYS N N 15 108.828 0.000 A 64 HIS H H 1 7.509 0.000 A 64 HIS N N 15 119.378 0.000 A 65 THR H H 1 7.436 0.000 A 65 THR N N 15 111.902 0.000 A 66 THR H H 1 8.500 0.000 A 66 THR N N 15 104.276 0.000 A 67 ASN H H 1 8.915 0.000 A 67 ASN HD21 H 1 6.842 0.000 A 67 ASN HD22 H 1 7.497 0.000 A 67 ASN N N 15 123.691 0.000 A 67 ASN ND2 N 15 112.277 0.000 A 68 SER H H 1 8.738 0.000 A 68 SER N N 15 117.683 0.000 A 69 GLN H H 1 8.469 0.000 A 69 GLN HE21 H 1 6.673 0.000 A 69 GLN HE22 H 1 7.111 0.000 A 69 GLN N N 15 117.179 0.000 A 69 GLN NE2 N 15 109.663 0.000 A 70 VAL H H 1 7.469 0.000 A 70 VAL N N 15 120.880 0.000 A 71 ARG H H 1 8.574 0.000 A 71 ARG N N 15 128.191 0.000 A 72 TRP H H 1 7.311 0.000 A 72 TRP HE1 H 1 9.828 0.000 A 72 TRP N N 15 107.852 0.000 A 72 TRP NE1 N 15 129.208 0.000 A 73 GLU H H 1 8.563 0.000 A 73 GLU N N 15 117.997 0.000 A 74 TYR H H 1 7.638 0.000 A 74 TYR N N 15 118.192 0.000 A 75 CYS H H 1 8.728 0.000 A 75 CYS N N 15 116.527 0.000 A 76 LYS H H 1 9.565 0.000 A 76 LYS N N 15 126.311 0.000 A 77 ILE H H 1 8.305 0.000 A 77 ILE N N 15 128.554 0.000 A 79 SER H H 1 8.824 0.000 A 79 SER N N 15 122.860 0.000 A 80 CYS H H 1 8.649 0.000 A 80 CYS N N 15 121.146 0.000 A 81 ASP H H 1 7.792 0.000 A 81 ASP N N 15 120.266 0.000 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 -3 THR HA A -3 THR HB 1.0 1.655 3.021 2 2 A -3 THR HA A -3 THR HG2% 1.0 1.438 2.322 3 3 A -3 THR HB A -3 THR HG1 1.0 1.865 4.061 4 4 A -3 THR HB A 10 ARG HG2 1.0 1.720 8.000 5 5 A -3 THR HG2% A -3 THR HG1 1.0 1.610 2.854 6 6 A -3 THR HG1 A 77 ILE HD1% 1.0 1.720 8.000 7 7 A -3 THR HB A -3 THR HG2% 1.0 1.605 2.837 8 8 A -3 THR HG2% A -1 GLN HE22 1.0 1.627 2.917 9 9 A -2 TYR H A -1 GLN HA 1.0 1.700 8.000 10 10 A -1 GLN HA A -1 GLN HBy 1.0 1.720 8.000 11 11 A -1 GLN HE22 A -1 GLN HA 1.0 1.720 8.000 12 12 A -1 GLN HBy A -1 GLN HBx 1.0 1.246 1.842 13 13 A -1 GLN HE22 A -1 GLN HBy 1.0 1.720 8.000 14 14 A -1 GLN HE22 A -1 GLN HBx 1.0 1.912 4.410 15 15 A -1 GLN HBx A 1 CYS H 1.0 1.687 3.147 16 16 A 10 ARG HG2 A -1 GLN HBx 1.0 1.768 3.510 17 17 A -1 GLN HBy A -1 GLN HE21 1.0 1.683 3.133 18 18 A -1 GLN HE22 A -1 GLN HE21 1.0 1.297 1.961 19 19 A -1 GLN HE21 A 12 ASN HD22 1.0 1.825 3.811 20 20 A -1 GLN HE22 A 12 ASN HB3 1.0 1.693 3.171 21 21 A -1 GLN HE22 A 12 ASN HD21 1.0 1.707 3.233 22 22 A -1 GLN HE22 A 77 ILE HG2% 1.0 1.720 8.000 23 23 A -1 GLN HG2 A -1 GLN H 1.0 1.583 2.765 24 24 A 12 ASN HD22 A -1 GLN HG2 1.0 1.720 8.000 25 25 A -1 GLN HA A -1 GLN H 1.0 1.718 3.276 26 26 A -1 GLN HBy A -1 GLN H 1.0 1.656 3.026 27 27 A -1 GLN HBx A -1 GLN H 1.0 1.783 3.583 28 28 A -1 GLN HE22 A -1 GLN H 1.0 1.887 4.215 29 29 A 1 CYS H A -1 GLN H 1.0 1.700 8.000 30 30 A -1 GLN H A 9 TYR HDx 1.0 1.720 8.000 31 31 A 1 CYS HA A 1 CYS HBx 1.0 1.720 8.000 32 32 A 77 ILE HG2% A 1 CYS HA 1.0 1.720 8.000 33 33 A 1 CYS HA A 78 PRO HBy 1.0 1.868 4.076 34 34 A 1 CYS HBx A 1 CYS HBy 1.0 1.565 2.703 35 35 A 9 TYR HDx A 1 CYS HBy 1.0 1.720 8.000 36 36 A -1 GLN H A 1 CYS HBx 1.0 1.720 8.000 37 37 A 1 CYS HBx A 2 LEU HBy 1.0 1.720 8.000 38 38 A 77 ILE HG2% A 1 CYS HBx 1.0 1.967 5.007 39 39 A 1 CYS HBx A 78 PRO HBx 1.0 1.782 3.578 40 40 A -1 GLN HA A 1 CYS H 1.0 1.720 8.000 41 41 A -1 GLN HBy A 1 CYS H 1.0 1.730 3.328 42 42 A 1 CYS H A 1 CYS HA 1.0 1.730 3.328 43 43 A 1 CYS H A 1 CYS HBx 1.0 1.720 8.000 44 44 A 1 CYS H A 9 TYR HBy 1.0 1.983 5.281 45 45 A 1 CYS H A 10 ARG HDy 1.0 1.700 8.000 46 46 A 2 LEU HA A 2 LEU HBx 1.0 1.698 3.192 47 47 A 2 LEU HA A 2 LEU HDx% 1.0 1.588 2.782 48 48 A 2 LEU HA A 2 LEU HDy% 1.0 1.720 8.000 49 49 A 2 LEU HA A 4 GLY H 1.0 1.720 8.000 50 50 A 77 ILE HG2% A 2 LEU HA 1.0 1.677 3.107 51 51 A 2 LEU HBy A 2 LEU HDx% 1.0 1.720 8.000 52 52 A 2 LEU HBy A 61 PRO HGy 1.0 1.720 8.000 53 53 A 77 ILE HG2% A 2 LEU HBy 1.0 1.720 8.000 54 54 A 2 LEU HBy A 2 LEU HBx 1.0 1.429 2.295 55 55 A 2 LEU HBx A 77 ILE HB 1.0 1.482 2.446 56 56 A 77 ILE HD1% A 2 LEU HBx 1.0 1.937 4.643 57 57 A 2 LEU HBx A 79 SER H 1.0 1.720 8.000 58 58 A 2 LEU HBx A 2 LEU HDx% 1.0 1.720 8.000 59 59 A 2 LEU HDx% A 2 LEU HG 1.0 1.598 2.816 60 60 A 2 LEU HDx% A 4 GLY HAx 1.0 1.720 8.000 61 61 A 2 LEU HDx% A 6 GLY HAx 1.0 1.673 3.093 62 62 A 2 LEU HDx% A 7 GLU H 1.0 1.720 8.000 63 63 A 9 TYR HBy A 2 LEU HDx% 1.0 1.766 3.502 64 64 A 2 LEU HDx% A 9 TYR HEx 1.0 1.849 3.949 65 65 A 2 LEU HDx% A 9 TYR H 1.0 1.720 8.000 66 66 A 2 LEU HDx% A 53 ASN HD21 1.0 1.720 8.000 67 67 A 2 LEU HDx% A 61 PRO HBy 1.0 1.720 8.000 68 68 A 2 LEU HDx% A 61 PRO HDy 1.0 1.626 2.914 69 69 A 2 LEU HDx% A 77 ILE HG1x 1.0 1.747 3.409 70 70 A 2 LEU HDx% A 78 PRO HDx 1.0 1.720 8.000 71 71 A 2 LEU HBy A 2 LEU HDy% 1.0 1.597 2.813 72 72 A 2 LEU HBx A 2 LEU HDy% 1.0 1.560 2.686 73 73 A 2 LEU HDx% A 2 LEU HDy% 1.0 1.481 2.443 74 74 A 2 LEU HDy% A 2 LEU HG 1.0 1.531 2.597 75 75 A 2 LEU HDy% A 2 LEU H 1.0 1.720 8.000 76 76 A 2 LEU HDy% A 5 THR H 1.0 1.720 8.000 77 77 A 2 LEU HDy% A 61 PRO HDx 1.0 1.768 3.510 78 78 A 2 LEU HDy% A 77 ILE HB 1.0 1.455 2.369 79 79 A 77 ILE HD1% A 2 LEU HDy% 1.0 1.720 8.000 80 80 A 77 ILE HG2% A 2 LEU HDy% 1.0 1.720 8.000 81 81 A 2 LEU HDy% A 77 ILE H 1.0 1.634 2.944 82 82 A 2 LEU HBy A 2 LEU HG 1.0 1.700 3.204 83 83 A 2 LEU HBx A 2 LEU HG 1.0 1.673 3.093 84 84 A 2 LEU HG A 2 LEU H 1.0 1.720 8.000 85 85 A 4 GLY H A 2 LEU HG 1.0 1.880 4.162 86 86 A -1 GLN H A 2 LEU H 1.0 1.700 8.000 87 87 A 1 CYS HA A 2 LEU H 1.0 1.720 8.000 88 88 A 1 CYS HBx A 2 LEU H 1.0 1.720 8.000 89 89 A 2 LEU HA A 2 LEU H 1.0 1.711 3.247 90 90 A 2 LEU HBy A 2 LEU H 1.0 1.474 2.422 91 91 A 2 LEU HBx A 2 LEU H 1.0 1.581 2.757 92 92 A 2 LEU HDx% A 2 LEU H 1.0 1.720 8.000 93 93 A 77 ILE HG2% A 2 LEU H 1.0 1.555 2.673 94 94 A 2 LEU H A 79 SER HA 1.0 1.402 2.224 95 95 A 2 LEU HA A 3 LYS HA 1.0 1.720 8.000 96 96 A 3 LYS HA A 3 LYS HBy 1.0 1.567 2.711 97 97 A 3 LYS HA A 3 LYS HBx 1.0 1.565 2.705 98 98 A 3 LYS HA A 3 LYS HG2 1.0 1.720 8.000 99 99 A 3 LYS HBy A 3 LYS HBx 1.0 1.290 1.942 100 100 A 3 LYS HBy A 3 LYS HG2 1.0 1.720 8.000 101 101 A 3 LYS HBy A 6 GLY H 1.0 1.989 5.409 102 102 A 2 LEU HBx A 3 LYS HDy 1.0 1.720 8.000 103 103 A 3 LYS HBy A 3 LYS HDy 1.0 1.720 8.000 104 104 A 3 LYS HG2 A 3 LYS HDy 1.0 1.467 2.403 105 105 A 3 LYS HDy A 53 ASN HD2y 1.0 1.720 8.000 106 106 A 3 LYS HDx A 3 LYS HE2 1.0 1.720 8.000 107 107 A 2 LEU HDx% A 3 LYS HG2 1.0 1.554 2.668 108 108 A 2 LEU HDy% A 3 LYS HG2 1.0 1.720 8.000 109 109 A 3 LYS HBx A 3 LYS HG2 1.0 1.464 2.394 110 110 A 3 LYS HG2 A 3 LYS HDx 1.0 1.720 8.000 111 111 A 3 LYS HG2 A 3 LYS HE2 1.0 1.720 8.000 112 112 A 9 TYR H A 3 LYS HG2 1.0 1.720 8.000 113 113 A 3 LYS HG2 A 10 ARG H 1.0 1.720 8.000 114 114 A 2 LEU HA A 3 LYS H 1.0 1.720 8.000 115 115 A 2 LEU HBx A 3 LYS H 1.0 1.720 8.000 116 116 A 2 LEU HDx% A 3 LYS H 1.0 1.538 2.618 117 117 A 3 LYS HA A 3 LYS H 1.0 1.884 4.194 118 118 A 3 LYS HBy A 3 LYS H 1.0 1.872 4.100 119 119 A 3 LYS HBx A 3 LYS H 1.0 1.783 3.581 120 120 A 3 LYS HG2 A 3 LYS H 1.0 1.785 3.589 121 121 A 3 LYS H A 4 GLY HAy 1.0 1.720 8.000 122 122 A 6 GLY HAx A 3 LYS H 1.0 1.907 4.365 123 123 A 79 SER HA A 3 LYS H 1.0 1.700 8.000 124 124 A 6 GLY H A 4 GLY HAy 1.0 1.720 8.000 125 125 A 4 GLY HAx A 4 GLY HAy 1.0 1.476 2.430 126 126 A 4 GLY H A 3 LYS HA 1.0 1.590 2.788 127 127 A 4 GLY H A 3 LYS HBy 1.0 1.964 4.956 128 128 A 4 GLY H A 3 LYS HBx 1.0 1.944 4.712 129 129 A 4 GLY H A 3 LYS HG2 1.0 1.720 8.000 130 130 A 4 GLY H A 4 GLY HAy 1.0 1.608 2.850 131 131 A 4 GLY H A 4 GLY HAx 1.0 1.502 2.508 132 132 A 4 GLY H A 5 THR HA 1.0 1.790 8.802 133 133 A 4 GLY H A 81 ASP H 1.0 1.990 6.594 134 134 A 5 THR HA A 5 THR HG2% 1.0 1.480 2.442 135 135 A 6 GLY H A 5 THR HA 1.0 1.824 3.800 136 136 A 5 THR HA A 53 ASN HBy 1.0 1.720 8.000 137 137 A 53 ASN HD2y A 5 THR HA 1.0 1.675 3.103 138 138 A 5 THR HA A 60 ALA HB% 1.0 1.720 8.000 139 139 A 5 THR HG2% A 5 THR HB 1.0 1.482 2.448 140 140 A 53 ASN HD21 A 5 THR HB 1.0 1.527 2.583 141 141 A 5 THR HB A 59 ARG HA 1.0 1.914 4.428 142 142 A 53 ASN HD2y A 5 THR HG2% 1.0 1.720 8.000 143 143 A 5 THR H A 4 GLY HAy 1.0 1.504 2.514 144 144 A 4 GLY HAx A 5 THR H 1.0 1.720 8.000 145 145 A 5 THR H A 5 THR HA 1.0 1.720 8.000 146 146 A 5 THR H A 5 THR HG2% 1.0 1.585 2.771 147 147 A 5 THR H A 6 GLY H 1.0 1.991 5.485 148 148 A 5 THR H A 53 ASN HD2y 1.0 1.720 8.000 149 149 A 5 THR H A 60 ALA HA 1.0 1.700 8.000 150 150 A 2 LEU HDx% A 6 GLY HAy 1.0 1.761 3.473 151 151 A 3 LYS HDy A 6 GLY HAy 1.0 1.664 3.056 152 152 A 6 GLY HAy A 7 GLU HGx 1.0 1.987 5.369 153 153 A 6 GLY HAy A 9 TYR HBx 1.0 1.723 3.299 154 154 A 9 TYR H A 6 GLY HAy 1.0 1.720 8.000 155 155 A 61 PRO HDy A 6 GLY HAy 1.0 1.720 8.000 156 156 A 6 GLY HAx A 5 THR H 1.0 1.720 8.000 157 157 A 6 GLY HAx A 6 GLY HAy 1.0 1.763 3.485 158 158 A 6 GLY HAx A 53 ASN HBy 1.0 1.720 8.000 159 159 A 2 LEU HDx% A 6 GLY H 1.0 1.722 3.294 160 160 A 3 LYS HG2 A 6 GLY H 1.0 1.918 4.464 161 161 A 4 GLY H A 6 GLY H 1.0 1.980 5.218 162 162 A 6 GLY H A 5 THR HB 1.0 1.700 8.000 163 163 A 6 GLY H A 6 GLY HAy 1.0 1.507 2.519 164 164 A 6 GLY HAx A 6 GLY H 1.0 1.672 3.088 165 165 A 9 TYR H A 6 GLY H 1.0 1.981 5.229 166 166 A 7 GLU HA A 7 GLU HB2 1.0 1.720 8.000 167 167 A 7 GLU HA A 7 GLU HGy 1.0 1.774 3.536 168 168 A 7 GLU HGx A 7 GLU HA 1.0 1.788 3.608 169 169 A 7 GLU H A 7 GLU HA 1.0 1.678 3.112 170 170 A 53 ASN HBy A 7 GLU HA 1.0 1.643 2.975 171 171 A 7 GLU HB2 A 7 GLU HGy 1.0 1.563 2.697 172 172 A 7 GLU H A 7 GLU HGx 1.0 1.751 3.427 173 173 A 7 GLU H A 3 LYS HDx 1.0 1.825 3.809 174 174 A 7 GLU H A 6 GLY HAy 1.0 1.720 3.286 175 175 A 6 GLY HAx A 7 GLU H 1.0 1.972 5.086 176 176 A 7 GLU H A 7 GLU HB2 1.0 1.720 8.000 177 177 A 7 GLU H A 7 GLU HGy 1.0 1.821 3.791 178 178 A 7 GLU H A 8 ASN H 1.0 1.803 3.689 179 179 A 7 GLU H A 53 ASN HBx 1.0 1.720 8.000 180 180 A 7 GLU H A 60 ALA HA 1.0 1.700 8.000 181 181 A 7 GLU H A 8 ASN HA 1.0 1.987 5.383 182 182 A 8 ASN HA A 8 ASN HB3 1.0 1.741 3.381 183 183 A 8 ASN HA A 8 ASN HB2 1.0 1.611 2.859 184 184 A 8 ASN H A 8 ASN HA 1.0 1.806 3.704 185 185 A 9 TYR H A 8 ASN HA 1.0 1.625 2.909 186 186 A 8 ASN HB3 A 8 ASN HD21 1.0 1.771 3.521 187 187 A 8 ASN HB2 A 8 ASN HD21 1.0 1.615 2.877 188 188 A 8 ASN HD21 A 8 ASN HD22 1.0 1.323 2.023 189 189 A 8 ASN HD21 A 45 ASN HD21 1.0 1.993 5.505 190 190 A 8 ASN HB2 A 8 ASN HD22 1.0 1.720 8.000 191 191 A 7 GLU HA A 8 ASN H 1.0 1.892 4.244 192 192 A 7 GLU HB2 A 8 ASN H 1.0 1.661 3.043 193 193 A 8 ASN H A 8 ASN HB2 1.0 1.759 3.463 194 194 A 9 TYR HBy A 9 TYR HA 1.0 1.600 2.824 195 195 A 9 TYR HDx A 9 TYR HBy 1.0 1.657 3.029 196 195 A 9 TYR HBy A 9 TYR HDy 1.0 1.657 3.029 197 196 A 9 TYR HDx A 9 TYR HBy 1.0 1.554 2.666 198 197 A 2 LEU HDx% A 9 TYR HBx 1.0 1.720 3.286 199 198 A 3 LYS HG2 A 9 TYR HBx 1.0 1.636 2.950 200 199 A 9 TYR HDx A 9 TYR HBx 1.0 1.658 3.036 201 199 A 9 TYR HBx A 9 TYR HDy 1.0 1.658 3.036 202 200 A 9 TYR HDx A 9 TYR HBx 1.0 1.720 8.000 203 201 A 9 TYR HDx A 9 TYR H 1.0 1.437 2.319 204 201 A 9 TYR H A 9 TYR HDy 1.0 1.437 2.319 205 202 A 77 ILE HG2% A 9 TYR HDx 1.0 1.689 3.155 206 202 A 77 ILE HG2% A 9 TYR HDy 1.0 1.689 3.155 207 203 A 9 TYR HDx A 3 LYS H 1.0 1.720 8.000 208 204 A 9 TYR HDx A 9 TYR HEx 1.0 1.720 8.000 209 205 A 9 TYR HDx A 11 GLY HAx 1.0 1.720 8.000 210 206 A 77 ILE HG2% A 9 TYR HDx 1.0 1.678 3.114 211 207 A 12 ASN HD22 A 9 TYR HEx 1.0 1.704 3.220 212 207 A 12 ASN HD22 A 9 TYR HEy 1.0 1.704 3.220 213 208 A 9 TYR HEx A 12 ASN H 1.0 1.742 3.388 214 208 A 12 ASN H A 9 TYR HEy 1.0 1.742 3.388 215 209 A 12 ASN HB3 A 9 TYR HEx 1.0 1.720 8.000 216 210 A 9 TYR HEx A 13 VAL H 1.0 1.720 8.000 217 211 A 9 TYR HEx A 50 TYR HBx 1.0 1.720 8.000 218 212 A 9 TYR H A 3 LYS HDy 1.0 1.511 2.535 219 213 A 9 TYR H A 7 GLU HA 1.0 1.937 4.651 220 214 A 9 TYR H A 8 ASN H 1.0 1.742 3.386 221 215 A 9 TYR H A 9 TYR HA 1.0 1.542 2.630 222 216 A 9 TYR HBy A 9 TYR H 1.0 1.720 8.000 223 217 A 9 TYR H A 9 TYR HBx 1.0 1.720 8.000 224 218 A 9 TYR H A 45 ASN HBx 1.0 1.720 8.000 225 219 A 10 ARG HA A 10 ARG HBy 1.0 1.737 3.359 226 220 A 10 ARG HA A 10 ARG HBx 1.0 1.720 8.000 227 221 A 10 ARG HDy A 10 ARG HA 1.0 1.720 8.000 228 222 A 10 ARG HA A 10 ARG HDx 1.0 1.720 8.000 229 223 A 10 ARG HG2 A 10 ARG HA 1.0 1.580 2.754 230 224 A 10 ARG HBy A 10 ARG HBx 1.0 1.244 1.838 231 225 A 10 ARG HG2 A 10 ARG HBy 1.0 1.720 8.000 232 226 A 12 ASN HD22 A 10 ARG HBy 1.0 1.720 8.000 233 227 A 12 ASN H A 10 ARG HBy 1.0 1.720 8.000 234 228 A -1 GLN HE21 A 10 ARG HBx 1.0 1.720 8.000 235 229 A -1 GLN HE22 A 10 ARG HBx 1.0 1.720 8.000 236 230 A 10 ARG HDy A 10 ARG HBx 1.0 1.371 2.143 237 231 A 2 LEU HBy A 10 ARG HDy 1.0 1.720 8.000 238 232 A 9 TYR HDx A 10 ARG HDy 1.0 1.543 2.631 239 233 A 10 ARG HDy A 10 ARG HDx 1.0 1.242 1.834 240 234 A 10 ARG HDx A 9 TYR HDy 1.0 1.742 3.382 241 234 A 9 TYR HDx A 10 ARG HDx 1.0 1.742 3.382 242 235 A 9 TYR HDx A 10 ARG HDx 1.0 1.650 3.004 243 236 A 10 ARG HBx A 10 ARG HDx 1.0 1.720 8.000 244 237 A 10 ARG HG2 A 10 ARG HBx 1.0 1.771 3.521 245 238 A 10 ARG H A 9 TYR HA 1.0 1.700 8.000 246 239 A 9 TYR HDx A 10 ARG H 1.0 1.888 4.218 247 240 A 10 ARG H A 10 ARG HA 1.0 1.821 3.787 248 241 A 10 ARG H A 10 ARG HBy 1.0 1.889 4.223 249 242 A 10 ARG H A 10 ARG HBx 1.0 1.689 3.155 250 243 A 10 ARG H A 10 ARG HDx 1.0 1.824 3.804 251 244 A 10 ARG HG2 A 10 ARG H 1.0 1.775 3.541 252 245 A 12 ASN HD22 A 10 ARG H 1.0 1.845 3.929 253 246 A 11 GLY HAx A 11 GLY HAy 1.0 1.509 2.525 254 247 A 11 GLY HAy A 50 TYR HDx 1.0 1.766 3.496 255 247 A 11 GLY HAy A 50 TYR HDy 1.0 1.766 3.496 256 248 A 12 ASN HD21 A 11 GLY HAx 1.0 1.720 8.000 257 249 A -1 GLN HE22 A 11 GLY H 1.0 1.720 8.000 258 250 A 10 ARG HBx A 11 GLY H 1.0 1.523 2.569 259 251 A 10 ARG H A 11 GLY H 1.0 1.695 3.179 260 252 A 11 GLY HAx A 11 GLY H 1.0 1.777 3.549 261 253 A 9 TYR HEx A 12 ASN HA 1.0 1.720 8.000 262 254 A 12 ASN HB3 A 12 ASN HA 1.0 1.650 3.004 263 255 A 12 ASN HA A 12 ASN HB2 1.0 1.597 2.813 264 256 A 12 ASN HD21 A 12 ASN HA 1.0 1.932 4.594 265 257 A 13 VAL H A 12 ASN HA 1.0 1.720 8.000 266 258 A 12 ASN HA A 50 TYR HDx 1.0 1.720 8.000 267 259 A 12 ASN HA A 50 TYR HEx 1.0 1.720 8.000 268 260 A 12 ASN HB3 A 11 GLY HAy 1.0 1.720 8.000 269 261 A 12 ASN HB3 A 12 ASN HB2 1.0 1.220 1.784 270 262 A 12 ASN HD22 A 12 ASN HB3 1.0 1.720 8.000 271 263 A -1 GLN HE21 A 12 ASN HB2 1.0 1.720 8.000 272 264 A -1 GLN HE22 A 12 ASN HB2 1.0 1.623 2.905 273 265 A 12 ASN HB2 A 50 TYR HEx 1.0 1.720 8.000 274 266 A 12 ASN HD21 A -1 GLN HG2 1.0 1.720 8.000 275 267 A 12 ASN HD21 A 10 ARG HDy 1.0 1.716 3.266 276 268 A 12 ASN HD21 A 10 ARG HDx 1.0 1.700 8.000 277 269 A 12 ASN HD21 A 12 ASN HB2 1.0 1.650 3.004 278 270 A 12 ASN HD22 A 12 ASN HD21 1.0 1.284 1.930 279 271 A 12 ASN HD22 A 10 ARG HDy 1.0 1.786 3.598 280 272 A 12 ASN HD22 A 10 ARG HDx 1.0 1.720 8.000 281 273 A 12 ASN HD22 A 12 ASN HB2 1.0 1.720 8.000 282 274 A 12 ASN H A 11 GLY HAy 1.0 1.720 8.000 283 275 A 11 GLY HAx A 12 ASN H 1.0 1.644 2.978 284 276 A 12 ASN H A 12 ASN HA 1.0 1.727 3.315 285 277 A 12 ASN HB3 A 12 ASN H 1.0 1.720 8.000 286 278 A 12 ASN H A 12 ASN HB2 1.0 1.720 8.000 287 279 A 12 ASN HD22 A 12 ASN H 1.0 1.889 4.225 288 280 A 13 VAL HB A 13 VAL HA 1.0 1.775 3.541 289 281 A 13 VAL HB A 13 VAL HGy% 1.0 1.453 2.363 290 282 A 13 VAL HB A 13 VAL HGx% 1.0 1.449 2.353 291 283 A 77 ILE HD1% A 13 VAL HB 1.0 1.669 3.075 292 284 A 12 ASN H A 13 VAL HGy% 1.0 1.720 8.000 293 285 A 13 VAL HA A 13 VAL HGy% 1.0 1.516 2.548 294 286 A 13 VAL HGy% A 16 THR HA 1.0 1.720 8.000 295 287 A 77 ILE HG2% A 13 VAL HGy% 1.0 1.720 8.000 296 288 A 13 VAL HA A 13 VAL HGx% 1.0 1.610 2.858 297 289 A 13 VAL HGy% A 13 VAL HGx% 1.0 1.474 2.422 298 290 A 13 VAL HGx% A 15 VAL HGx% 1.0 1.720 8.000 299 291 A 13 VAL HGx% A 77 ILE HG1y 1.0 1.720 8.000 300 292 A -1 GLN HE22 A 13 VAL H 1.0 1.700 8.000 301 293 A 11 GLY HAx A 13 VAL H 1.0 1.976 5.150 302 294 A 12 ASN H A 13 VAL H 1.0 1.658 3.032 303 295 A 13 VAL H A 13 VAL HA 1.0 1.592 2.796 304 296 A 13 VAL H A 13 VAL HB 1.0 1.467 2.405 305 297 A 13 VAL H A 13 VAL HGy% 1.0 1.317 2.009 306 298 A 13 VAL H A 13 VAL HGx% 1.0 1.720 8.000 307 299 A 13 VAL HGx% A 14 ALA HA 1.0 1.823 3.795 308 300 A 14 ALA HA A 14 ALA HB% 1.0 1.522 2.568 309 301 A 50 TYR HDx A 14 ALA HA 1.0 1.751 3.427 310 302 A 13 VAL HA A 14 ALA HB% 1.0 1.720 8.000 311 303 A 14 ALA HB% A 14 ALA H 1.0 1.560 2.688 312 304 A 50 TYR HDx A 14 ALA HB% 1.0 1.414 2.254 313 305 A 50 TYR HEx A 14 ALA HB% 1.0 1.720 8.000 314 306 A 14 ALA HB% A 51 CYS H 1.0 1.891 4.239 315 307 A 13 VAL HA A 14 ALA H 1.0 1.384 2.176 316 308 A 13 VAL HB A 14 ALA H 1.0 1.968 5.014 317 309 A 13 VAL HGy% A 14 ALA H 1.0 1.720 8.000 318 310 A 13 VAL HGx% A 14 ALA H 1.0 1.564 2.700 319 311 A 14 ALA HA A 14 ALA H 1.0 1.811 3.731 320 312 A 15 VAL HGx% A 14 ALA H 1.0 1.720 8.000 321 313 A 14 ALA H A 15 VAL H 1.0 1.482 2.446 322 314 A 15 VAL HA A 15 VAL HB 1.0 1.671 3.081 323 315 A 15 VAL HGx% A 15 VAL HA 1.0 1.769 3.513 324 316 A 15 VAL HA A 15 VAL HGy% 1.0 1.716 3.268 325 317 A 15 VAL HA A 16 THR HG2% 1.0 1.720 8.000 326 318 A 15 VAL HGx% A 15 VAL HB 1.0 1.517 2.551 327 319 A 15 VAL HB A 15 VAL HGy% 1.0 1.495 2.487 328 320 A 15 VAL H A 15 VAL HB 1.0 1.730 3.334 329 321 A 14 ALA H A 15 VAL HGy% 1.0 1.719 3.285 330 322 A 13 VAL HA A 15 VAL H 1.0 1.720 8.000 331 323 A 13 VAL HGx% A 15 VAL H 1.0 1.470 2.410 332 324 A 14 ALA HA A 15 VAL H 1.0 1.773 3.533 333 325 A 15 VAL H A 15 VAL HA 1.0 1.695 3.181 334 326 A 15 VAL HGx% A 15 VAL H 1.0 1.720 8.000 335 327 A 15 VAL H A 15 VAL HGy% 1.0 1.654 3.020 336 328 A 77 ILE HG1x A 15 VAL H 1.0 1.720 8.000 337 329 A 16 THR HG2% A 16 THR HB 1.0 1.397 2.211 338 330 A 16 THR HB A 18 SER H 1.0 1.596 2.808 339 331 A 16 THR HB A 73 GLU HBy 1.0 1.578 2.746 340 332 A 16 THR HB A 73 GLU HBx 1.0 1.702 3.208 341 333 A 16 THR HG2% A 20 HIS HBy 1.0 1.705 3.219 342 334 A 16 THR HG2% A 20 HIS HBx 1.0 1.651 3.007 343 335 A 16 THR HG2% A 63 CYS HBy 1.0 1.720 8.000 344 336 A 16 THR HG2% A 73 GLU HBx 1.0 1.704 3.216 345 337 A 15 VAL HA A 16 THR H 1.0 1.388 2.186 346 338 A 15 VAL HB A 16 THR H 1.0 1.720 8.000 347 339 A 15 VAL HGx% A 16 THR H 1.0 1.486 2.458 348 340 A 15 VAL HGy% A 16 THR H 1.0 1.720 8.000 349 341 A 16 THR HA A 16 THR H 1.0 1.635 2.947 350 342 A 16 THR HG2% A 16 THR H 1.0 1.456 2.374 351 343 A 17 VAL HA A 76 LYS H 1.0 1.769 3.513 352 344 A 17 VAL HA A 17 VAL HB 1.0 1.571 2.723 353 345 A 17 VAL HB A 17 VAL HGx% 1.0 1.551 2.659 354 346 A 17 VAL HB A 17 VAL HGy% 1.0 1.533 2.601 355 347 A 17 VAL HA A 17 VAL HGy% 1.0 1.579 2.751 356 348 A 73 GLU HBy A 17 VAL HGy% 1.0 1.720 8.000 357 349 A 76 LYS H A 17 VAL HGy% 1.0 1.673 3.089 358 350 A 15 VAL HGx% A 17 VAL H 1.0 1.720 8.000 359 351 A 16 THR HA A 17 VAL H 1.0 1.542 2.628 360 352 A 16 THR HG2% A 17 VAL H 1.0 1.720 8.000 361 353 A 17 VAL HA A 17 VAL H 1.0 1.720 8.000 362 354 A 17 VAL HB A 17 VAL H 1.0 1.523 2.571 363 355 A 17 VAL HGx% A 17 VAL H 1.0 1.460 2.382 364 356 A 17 VAL HGy% A 17 VAL H 1.0 1.720 8.000 365 357 A 17 VAL H A 20 HIS HD1 1.0 1.700 8.000 366 358 A 73 GLU HBy A 17 VAL H 1.0 1.720 8.000 367 359 A 18 SER HBy A 20 HIS H 1.0 1.857 4.007 368 360 A 20 HIS H A 18 SER HBx 1.0 1.720 8.000 369 361 A 18 SER H A 17 VAL HGx% 1.0 1.649 2.997 370 362 A 18 SER H A 17 VAL HGy% 1.0 1.720 8.000 371 363 A 18 SER H A 17 VAL H 1.0 1.700 3.202 372 364 A 18 SER H A 18 SER HA 1.0 1.620 2.894 373 365 A 18 SER H A 18 SER HBy 1.0 1.637 2.955 374 366 A 18 SER H A 18 SER HBx 1.0 1.851 3.963 375 367 A 18 SER H A 19 GLY H 1.0 1.700 8.000 376 368 A 18 SER H A 20 HIS HD1 1.0 1.700 8.000 377 369 A 15 VAL HGx% A 19 GLY HAy 1.0 1.835 3.867 378 370 A 16 THR H A 19 GLY HAy 1.0 1.720 8.000 379 371 A 18 SER H A 19 GLY HAy 1.0 1.720 8.000 380 372 A 19 GLY HAy A 19 GLY HAx 1.0 1.423 2.281 381 373 A 15 VAL HGx% A 19 GLY H 1.0 1.700 8.000 382 374 A 18 SER HA A 19 GLY H 1.0 1.720 8.000 383 375 A 19 GLY H A 19 GLY HAy 1.0 1.641 2.969 384 376 A 19 GLY H A 19 GLY HAx 1.0 1.490 2.472 385 377 A 20 HIS HBy A 20 HIS HA 1.0 1.609 2.851 386 378 A 20 HIS HBy A 20 HIS HD2 1.0 1.626 2.914 387 379 A 20 HIS HBy A 65 THR HG2% 1.0 1.739 3.375 388 380 A 20 HIS HBy A 20 HIS HBx 1.0 1.839 3.895 389 381 A 20 HIS HBx A 67 ASN HD21 1.0 1.882 4.170 390 382 A 20 HIS HD1 A 20 HIS HA 1.0 1.700 8.000 391 383 A 20 HIS HBx A 20 HIS HD1 1.0 1.852 3.968 392 384 A 20 HIS HD2 A 67 ASN HBx 1.0 1.663 3.053 393 385 A 15 VAL HGy% A 20 HIS H 1.0 1.700 8.000 394 386 A 16 THR HG2% A 20 HIS H 1.0 1.720 8.000 395 387 A 16 THR H A 20 HIS H 1.0 1.720 8.000 396 388 A 20 HIS H A 19 GLY HAy 1.0 1.908 4.382 397 389 A 20 HIS H A 19 GLY H 1.0 1.720 8.000 398 390 A 20 HIS H A 20 HIS HA 1.0 1.740 3.372 399 391 A 20 HIS HBx A 20 HIS H 1.0 1.727 3.319 400 392 A 20 HIS HD1 A 20 HIS H 1.0 1.814 3.744 401 393 A 14 ALA HB% A 21 THR HA 1.0 1.720 8.000 402 394 A 15 VAL HA A 21 THR HA 1.0 1.690 3.158 403 395 A 15 VAL HGx% A 21 THR HA 1.0 1.749 3.415 404 396 A 21 THR HA A 21 THR H 1.0 1.720 8.000 405 397 A 21 THR HB A 21 THR HG2% 1.0 1.563 2.699 406 398 A 21 THR HB A 22 CYS H 1.0 1.720 8.000 407 399 A 21 THR HB A 66 THR H 1.0 1.949 4.779 408 400 A 20 HIS HA A 21 THR H 1.0 1.720 8.000 409 401 A 20 HIS HBy A 21 THR H 1.0 1.724 3.306 410 402 A 20 HIS HBx A 21 THR H 1.0 1.720 8.000 411 403 A 21 THR H A 21 THR HB 1.0 1.462 2.390 412 404 A 21 THR H A 21 THR HG2% 1.0 1.720 8.000 413 405 A 16 THR HG2% A 22 CYS HA 1.0 1.686 3.146 414 406 A 22 CYS HA A 65 THR HA 1.0 1.890 4.230 415 407 A 22 CYS HBy A 22 CYS HBx 1.0 1.430 2.300 416 408 A 22 CYS HBx A 23 GLN H 1.0 1.720 8.000 417 409 A 15 VAL HA A 22 CYS H 1.0 1.659 3.037 418 410 A 15 VAL HGy% A 22 CYS H 1.0 1.676 3.102 419 411 A 16 THR H A 22 CYS H 1.0 1.969 5.039 420 412 A 20 HIS HBy A 22 CYS H 1.0 1.720 8.000 421 413 A 21 THR HA A 22 CYS H 1.0 1.720 8.000 422 414 A 21 THR HG2% A 22 CYS H 1.0 1.588 2.782 423 415 A 22 CYS H A 22 CYS HA 1.0 1.897 4.285 424 416 A 22 CYS H A 22 CYS HBy 1.0 1.557 2.677 425 417 A 22 CYS H A 22 CYS HBx 1.0 1.720 8.000 426 418 A 23 GLN HA A 23 GLN HBy 1.0 1.720 8.000 427 419 A 23 GLN HA A 23 GLN HG2 1.0 1.637 2.953 428 420 A 23 GLN HBy A 31 HIS H 1.0 1.720 8.000 429 421 A 23 GLN HBy A 23 GLN HBx 1.0 1.358 2.110 430 422 A 23 GLN HBx A 30 PRO HDx 1.0 1.807 3.709 431 423 A 23 GLN HBx A 64 HIS HBx 1.0 1.720 8.000 432 424 A 23 GLN HBx A 66 THR HA 1.0 1.605 2.839 433 425 A 23 GLN HG2 A 23 GLN HE21 1.0 1.720 8.000 434 426 A 23 GLN HE21 A 27 ALA HB% 1.0 1.852 3.968 435 427 A 23 GLN HE21 A 33 HIS HD2 1.0 1.750 3.420 436 428 A 23 GLN HE21 A 23 GLN HE22 1.0 1.418 2.266 437 429 A 23 GLN HG2 A 23 GLN HE22 1.0 1.694 3.174 438 430 A 33 HIS HD2 A 23 GLN HE22 1.0 1.720 8.000 439 431 A 23 GLN HBy A 23 GLN HG2 1.0 1.664 3.058 440 432 A 23 GLN HG2 A 23 GLN HBx 1.0 1.742 3.386 441 433 A 23 GLN HG2 A 25 TRP HZ3 1.0 1.720 8.000 442 434 A 23 GLN HG2 A 31 HIS H 1.0 1.720 8.000 443 435 A 23 GLN HG2 A 33 HIS HE1 1.0 1.720 8.000 444 436 A 22 CYS HA A 23 GLN H 1.0 1.373 2.147 445 437 A 22 CYS H A 23 GLN H 1.0 1.908 4.380 446 438 A 23 GLN H A 23 GLN HA 1.0 1.779 3.561 447 439 A 23 GLN H A 23 GLN HBy 1.0 1.491 2.475 448 440 A 23 GLN H A 23 GLN HBx 1.0 1.642 2.970 449 441 A 23 GLN H A 24 HIS H 1.0 1.720 8.000 450 442 A 65 THR HA A 23 GLN H 1.0 1.720 8.000 451 443 A 66 THR H A 23 GLN H 1.0 1.715 3.263 452 444 A 24 HIS HA A 24 HIS HBy 1.0 1.796 3.646 453 445 A 24 HIS HA A 24 HIS HBx 1.0 1.701 3.205 454 446 A 24 HIS H A 24 HIS HA 1.0 1.746 3.406 455 447 A 24 HIS HA A 25 TRP HD1 1.0 1.720 8.000 456 448 A 24 HIS HBy A 25 TRP H 1.0 1.606 2.844 457 449 A 24 HIS HBx A 24 HIS HD1 1.0 1.561 2.691 458 450 A 24 HIS HBx A 25 TRP H 1.0 1.720 8.000 459 451 A 24 HIS HBx A 26 SER H 1.0 1.720 8.000 460 452 A 27 ALA HB% A 24 HIS HBx 1.0 1.611 2.859 461 453 A 23 GLN HG2 A 24 HIS HD1 1.0 1.879 4.157 462 454 A 25 TRP H A 24 HIS HD2 1.0 1.720 8.000 463 455 A 23 GLN HA A 24 HIS H 1.0 1.484 2.450 464 456 A 23 GLN HBx A 24 HIS H 1.0 1.720 8.000 465 457 A 23 GLN HE22 A 24 HIS H 1.0 1.720 8.000 466 458 A 23 GLN HG2 A 24 HIS H 1.0 1.750 3.420 467 459 A 24 HIS H A 24 HIS HBy 1.0 1.720 8.000 468 460 A 24 HIS H A 24 HIS HBx 1.0 1.586 2.774 469 461 A 24 HIS H A 24 HIS HE1 1.0 1.912 4.410 470 462 A 24 HIS H A 27 ALA HA 1.0 1.700 8.000 471 463 A 27 ALA HB% A 24 HIS H 1.0 1.727 3.321 472 464 A 24 HIS H A 49 ASN HBy 1.0 1.700 8.000 473 465 A 24 HIS H A 66 THR HG2% 1.0 1.720 8.000 474 466 A 25 TRP HA A 25 TRP HBy 1.0 1.818 3.768 475 467 A 25 TRP HA A 25 TRP HBx 1.0 1.710 3.244 476 468 A 25 TRP HD1 A 25 TRP HA 1.0 1.720 8.000 477 469 A 25 TRP HA A 25 TRP HE3 1.0 1.583 2.765 478 470 A 25 TRP H A 25 TRP HA 1.0 1.793 3.629 479 471 A 26 SER H A 25 TRP HA 1.0 1.720 8.000 480 472 A 25 TRP HA A 27 ALA H 1.0 1.818 3.766 481 473 A 33 HIS HE1 A 25 TRP HA 1.0 1.451 2.357 482 474 A 25 TRP HD1 A 25 TRP HBy 1.0 1.720 8.000 483 475 A 25 TRP HBy A 25 TRP HE3 1.0 1.688 3.152 484 476 A 25 TRP H A 25 TRP HBy 1.0 1.720 8.000 485 477 A 25 TRP HBy A 26 SER HBy 1.0 1.720 8.000 486 478 A 25 TRP HBy A 38 PRO HDy 1.0 1.622 2.900 487 479 A 25 TRP HBy A 46 LEU HBx 1.0 1.866 4.066 488 480 A 25 TRP HBy A 46 LEU HDy% 1.0 1.861 4.031 489 481 A 25 TRP HBy A 25 TRP HBx 1.0 1.486 2.458 490 482 A 25 TRP HD1 A 25 TRP HBx 1.0 1.677 3.109 491 483 A 26 SER H A 25 TRP HBx 1.0 1.773 3.535 492 484 A 25 TRP HBx A 46 LEU HBx 1.0 1.849 3.953 493 485 A 25 TRP HD1 A 49 ASN HBy 1.0 1.720 8.000 494 486 A 25 TRP HD1 A 25 TRP HE1 1.0 1.720 8.000 495 487 A 25 TRP HE1 A 25 TRP HZ2 1.0 1.720 8.000 496 488 A 25 TRP HE1 A 46 LEU HA 1.0 1.796 3.648 497 489 A 25 TRP HE1 A 47 ASP H 1.0 1.720 8.000 498 490 A 25 TRP HE1 A 49 ASN HA 1.0 1.766 3.498 499 491 A 25 TRP HE1 A 52 ARG HBy 1.0 1.892 4.248 500 492 A 25 TRP HBx A 25 TRP HE3 1.0 1.720 8.000 501 493 A 25 TRP HZ3 A 25 TRP HE3 1.0 1.561 2.691 502 494 A 25 TRP HE3 A 46 LEU HBx 1.0 1.720 8.000 503 495 A 25 TRP HE3 A 46 LEU HDx% 1.0 1.844 3.924 504 496 A 25 TRP HE3 A 64 HIS HE1 1.0 1.702 3.210 505 497 A 25 TRP HZ2 A 25 TRP HH2 1.0 1.567 2.713 506 498 A 25 TRP HZ3 A 25 TRP HH2 1.0 1.585 2.773 507 499 A 25 TRP HH2 A 52 ARG H 1.0 1.851 3.961 508 500 A 25 TRP HH2 A 53 ASN HA 1.0 1.720 8.000 509 501 A 24 HIS HA A 25 TRP H 1.0 1.468 2.406 510 502 A 25 TRP H A 25 TRP HBx 1.0 1.649 2.999 511 503 A 25 TRP HD1 A 25 TRP H 1.0 1.720 8.000 512 504 A 25 TRP H A 25 TRP HE1 1.0 1.720 8.000 513 505 A 25 TRP H A 26 SER HBy 1.0 1.700 8.000 514 506 A 25 TRP H A 26 SER H 1.0 1.610 2.860 515 507 A 25 TRP H A 27 ALA H 1.0 1.720 8.000 516 508 A 25 TRP H A 49 ASN HBx 1.0 1.896 4.278 517 509 A 25 TRP HZ2 A 63 CYS HBx 1.0 1.785 3.591 518 510 A 25 TRP HZ3 A 25 TRP HZ2 1.0 1.720 8.000 519 511 A 25 TRP HZ3 A 36 ARG HDx 1.0 1.720 8.000 520 512 A 25 TRP HZ3 A 62 TRP HH2 1.0 1.737 3.363 521 513 A 26 SER HA A 26 SER HBx 1.0 1.699 3.197 522 514 A 26 SER HA A 37 THR HG2% 1.0 1.797 3.651 523 515 A 24 HIS HA A 26 SER HBy 1.0 1.720 8.000 524 516 A 26 SER HBy A 26 SER HBx 1.0 1.579 2.753 525 517 A 26 SER HBx A 38 PRO HGy 1.0 1.756 3.452 526 518 A 24 HIS HBy A 26 SER H 1.0 1.695 3.179 527 519 A 25 TRP HD1 A 26 SER H 1.0 1.720 8.000 528 520 A 26 SER H A 26 SER HA 1.0 1.681 3.125 529 521 A 26 SER H A 26 SER HBy 1.0 1.720 8.000 530 522 A 26 SER H A 26 SER HBx 1.0 1.570 2.720 531 523 A 26 SER H A 27 ALA HA 1.0 1.700 8.000 532 524 A 26 SER H A 38 PRO HDx 1.0 1.927 4.541 533 525 A 27 ALA HB% A 27 ALA HA 1.0 1.481 2.445 534 526 A 27 ALA HB% A 23 GLN HE22 1.0 1.720 8.000 535 527 A 23 GLN HG2 A 27 ALA HB% 1.0 1.652 3.012 536 528 A 27 ALA HB% A 26 SER H 1.0 1.720 8.000 537 529 A 64 HIS HBx A 27 ALA HB% 1.0 1.720 8.000 538 530 A 24 HIS HA A 27 ALA H 1.0 1.968 5.022 539 531 A 24 HIS HBy A 27 ALA H 1.0 1.700 8.000 540 532 A 24 HIS HBx A 27 ALA H 1.0 1.635 2.947 541 533 A 27 ALA H A 26 SER HA 1.0 1.720 8.000 542 534 A 27 ALA H A 26 SER HBy 1.0 1.958 4.890 543 535 A 26 SER H A 27 ALA H 1.0 1.559 2.683 544 536 A 27 ALA HA A 27 ALA H 1.0 1.720 8.000 545 537 A 27 ALA HB% A 27 ALA H 1.0 1.538 2.616 546 538 A 23 GLN HE21 A 28 GLN HA 1.0 1.910 4.394 547 539 A 23 GLN HE22 A 28 GLN HA 1.0 1.720 8.000 548 540 A 28 GLN HA A 28 GLN HBy 1.0 1.763 3.481 549 541 A 28 GLN HA A 28 GLN HBx 1.0 1.624 2.908 550 542 A 28 GLN HA A 28 GLN HE21 1.0 1.823 3.799 551 543 A 28 GLN HA A 28 GLN HG2 1.0 1.647 2.993 552 544 A 28 GLN HA A 29 THR H 1.0 1.667 3.069 553 545 A 33 HIS HD2 A 28 GLN HA 1.0 1.700 3.200 554 546 A 28 GLN HA A 33 HIS H 1.0 1.757 3.457 555 547 A 28 GLN HBy A 28 GLN HG2 1.0 1.533 2.603 556 548 A 28 GLN HBy A 28 GLN HBx 1.0 1.342 2.068 557 549 A 28 GLN HBx A 32 THR HB 1.0 1.720 8.000 558 550 A 28 GLN HE21 A 28 GLN HE22 1.0 1.349 2.087 559 551 A 28 GLN HE21 A 28 GLN HG2 1.0 1.559 2.685 560 552 A 28 GLN HE21 A 33 HIS H 1.0 1.667 3.071 561 553 A 37 THR HG2% A 28 GLN HE21 1.0 1.499 2.499 562 554 A 28 GLN HG2 A 28 GLN HE22 1.0 1.850 3.956 563 555 A 33 HIS HE1 A 28 GLN HE22 1.0 1.855 3.993 564 556 A 37 THR HG2% A 28 GLN HE22 1.0 1.587 2.779 565 557 A 37 THR HG2% A 28 GLN HG2 1.0 1.574 2.732 566 558 A 26 SER HA A 28 GLN H 1.0 1.700 8.000 567 559 A 27 ALA HA A 28 GLN H 1.0 1.374 2.150 568 560 A 27 ALA HB% A 28 GLN H 1.0 1.720 8.000 569 561 A 27 ALA H A 28 GLN H 1.0 1.720 8.000 570 562 A 28 GLN HBy A 28 GLN H 1.0 1.797 3.657 571 563 A 28 GLN HBx A 28 GLN H 1.0 1.720 8.000 572 564 A 28 GLN HG2 A 28 GLN H 1.0 1.690 3.162 573 565 A 28 GLN H A 29 THR HA 1.0 1.971 5.063 574 566 A 28 GLN H A 29 THR HG2% 1.0 1.720 8.000 575 567 A 29 THR H A 28 GLN H 1.0 1.556 2.674 576 568 A 29 THR HA A 29 THR HB 1.0 1.723 3.299 577 569 A 29 THR HA A 29 THR HG2% 1.0 1.661 3.045 578 570 A 29 THR HA A 30 PRO HB2 1.0 1.720 8.000 579 571 A 29 THR HG2% A 29 THR HB 1.0 1.544 2.634 580 572 A 29 THR HB A 30 PRO HDy 1.0 1.720 8.000 581 573 A 27 ALA HA A 29 THR H 1.0 1.720 8.000 582 574 A 27 ALA HB% A 29 THR H 1.0 1.592 2.794 583 575 A 29 THR H A 29 THR HA 1.0 1.646 2.988 584 576 A 29 THR H A 29 THR HB 1.0 1.611 2.863 585 577 A 29 THR H A 29 THR HG2% 1.0 1.720 8.000 586 578 A 29 THR HA A 30 PRO HA 1.0 1.836 3.874 587 579 A 29 THR HG2% A 30 PRO HA 1.0 1.637 2.955 588 580 A 30 PRO HB2 A 30 PRO HA 1.0 1.560 2.688 589 581 A 31 HIS H A 30 PRO HA 1.0 1.806 3.700 590 582 A 30 PRO HB2 A 30 PRO HGx 1.0 1.673 3.089 591 583 A 31 HIS H A 30 PRO HB2 1.0 1.877 4.141 592 584 A 24 HIS H A 30 PRO HDy 1.0 1.720 8.000 593 585 A 30 PRO HDy A 30 PRO HGy 1.0 1.753 3.439 594 586 A 30 PRO HDy A 30 PRO HGx 1.0 1.863 4.043 595 587 A 30 PRO HDx A 30 PRO HB2 1.0 1.936 4.628 596 588 A 30 PRO HDx A 30 PRO HDy 1.0 1.436 2.316 597 589 A 30 PRO HDx A 30 PRO HGy 1.0 1.661 3.047 598 590 A 30 PRO HB2 A 30 PRO HGy 1.0 1.822 3.792 599 591 A 31 HIS H A 30 PRO HGy 1.0 1.720 8.000 600 592 A 23 GLN HBx A 30 PRO HGx 1.0 1.728 3.318 601 593 A 30 PRO HDx A 30 PRO HGx 1.0 1.818 3.766 602 594 A 30 PRO HGx A 30 PRO HGy 1.0 1.662 3.052 603 595 A 31 HIS H A 30 PRO HGx 1.0 1.567 2.713 604 596 A 31 HIS HA A 31 HIS HBy 1.0 1.628 2.922 605 597 A 31 HIS HA A 31 HIS HBx 1.0 1.633 2.941 606 598 A 27 ALA HB% A 31 HIS HBy 1.0 1.720 8.000 607 599 A 31 HIS HBy A 31 HIS HBx 1.0 1.685 3.137 608 600 A 31 HIS H A 23 GLN HBx 1.0 1.720 8.000 609 601 A 31 HIS H A 23 GLN HE22 1.0 1.720 8.000 610 602 A 31 HIS H A 29 THR HA 1.0 1.720 8.000 611 603 A 31 HIS H A 30 PRO HDy 1.0 1.717 3.271 612 604 A 31 HIS H A 30 PRO HDx 1.0 1.720 8.000 613 605 A 31 HIS H A 31 HIS HA 1.0 1.720 8.000 614 606 A 31 HIS H A 31 HIS HBy 1.0 1.720 8.000 615 607 A 31 HIS H A 31 HIS HBx 1.0 1.699 3.195 616 608 A 31 HIS H A 32 THR HG2% 1.0 1.700 8.000 617 609 A 32 THR HB A 32 THR HA 1.0 1.724 3.304 618 610 A 32 THR HB A 32 THR HG2% 1.0 1.563 2.697 619 611 A 31 HIS HA A 32 THR H 1.0 1.421 2.273 620 612 A 31 HIS HBy A 32 THR H 1.0 1.746 3.404 621 613 A 31 HIS HBx A 32 THR H 1.0 1.700 8.000 622 614 A 32 THR HA A 32 THR H 1.0 1.735 3.351 623 615 A 32 THR HB A 32 THR H 1.0 1.720 8.000 624 616 A 32 THR HG2% A 32 THR H 1.0 1.620 2.896 625 617 A 33 HIS H A 32 THR H 1.0 1.720 8.000 626 618 A 33 HIS HA A 33 HIS HBy 1.0 1.632 2.936 627 619 A 33 HIS HD2 A 33 HIS HA 1.0 1.720 8.000 628 620 A 33 HIS HA A 36 ARG HDy 1.0 1.720 8.000 629 621 A 33 HIS HBy A 33 HIS HBx 1.0 1.442 2.332 630 622 A 33 HIS HD2 A 33 HIS HBy 1.0 1.672 3.088 631 623 A 33 HIS HE1 A 33 HIS HBy 1.0 1.720 8.000 632 624 A 33 HIS HBx A 64 HIS HD2 1.0 1.913 4.421 633 625 A 23 GLN HG2 A 33 HIS HD2 1.0 1.720 8.000 634 626 A 33 HIS HD2 A 28 GLN HE21 1.0 1.752 3.430 635 627 A 33 HIS HD2 A 33 HIS HE1 1.0 1.720 8.000 636 628 A 33 HIS HE1 A 46 LEU HDx% 1.0 1.720 8.000 637 629 A 28 GLN HBx A 33 HIS H 1.0 1.856 4.002 638 630 A 33 HIS H A 28 GLN HE22 1.0 1.682 3.126 639 631 A 33 HIS H A 32 THR HA 1.0 1.720 8.000 640 632 A 33 HIS H A 32 THR HB 1.0 1.720 8.000 641 633 A 33 HIS H A 32 THR HG2% 1.0 1.720 8.000 642 634 A 33 HIS H A 33 HIS HBy 1.0 1.895 4.271 643 635 A 33 HIS H A 33 HIS HBx 1.0 1.720 8.000 644 636 A 33 HIS HD2 A 33 HIS H 1.0 1.755 3.447 645 637 A 34 ASN HA A 34 ASN HBy 1.0 1.473 2.421 646 638 A 34 ASN HA A 34 ASN HBx 1.0 1.720 8.000 647 639 A 34 ASN HA A 34 ASN H 1.0 1.617 2.881 648 640 A 36 ARG HDx A 34 ASN HA 1.0 1.720 8.000 649 641 A 34 ASN HBy A 34 ASN HBx 1.0 1.348 2.084 650 642 A 33 HIS HE1 A 34 ASN HBx 1.0 1.720 8.000 651 643 A 32 THR HA A 34 ASN HD21 1.0 1.700 8.000 652 644 A 33 HIS HA A 34 ASN HD22 1.0 1.826 3.818 653 645 A 33 HIS HA A 34 ASN H 1.0 1.700 8.000 654 646 A 33 HIS HBy A 34 ASN H 1.0 1.720 8.000 655 647 A 33 HIS HBx A 34 ASN H 1.0 1.641 2.967 656 648 A 36 ARG HDy A 34 ASN H 1.0 1.839 3.889 657 649 A 36 ARG HBx A 54 PRO HGy 1.0 1.520 2.560 658 650 A 36 ARG HDy A 37 THR H 1.0 1.720 8.000 659 651 A 36 ARG HDy A 41 PHE HEx 1.0 1.720 8.000 660 652 A 36 ARG HDx A 33 HIS HBx 1.0 1.761 3.473 661 653 A 36 ARG HDx A 36 ARG HGx 1.0 1.586 2.772 662 654 A 36 ARG HDx A 62 TRP HZ2 1.0 1.675 3.101 663 655 A 36 ARG HDy A 36 ARG HE 1.0 1.871 4.097 664 656 A 36 ARG HE A 36 ARG HGy 1.0 1.833 3.855 665 657 A 36 ARG HGx A 36 ARG HE 1.0 1.798 3.664 666 658 A 36 ARG HDy A 36 ARG HGy 1.0 1.663 3.055 667 659 A 36 ARG HGx A 36 ARG HGy 1.0 1.450 2.356 668 660 A 37 THR H A 36 ARG HGy 1.0 1.720 8.000 669 661 A 41 PHE HEx A 36 ARG HGy 1.0 1.554 2.666 670 662 A 62 TRP HH2 A 36 ARG HGy 1.0 1.720 8.000 671 663 A 37 THR H A 36 ARG HGx 1.0 1.720 8.000 672 664 A 62 TRP HH2 A 36 ARG HGx 1.0 1.634 2.946 673 665 A 36 ARG H A 36 ARG HBy 1.0 1.562 2.696 674 666 A 36 ARG HBx A 36 ARG H 1.0 1.845 3.923 675 667 A 37 THR HG2% A 37 THR HA 1.0 1.720 8.000 676 668 A 38 PRO HDy A 37 THR HA 1.0 1.638 2.960 677 669 A 38 PRO HDx A 37 THR HA 1.0 1.569 2.717 678 670 A 37 THR HA A 39 GLU H 1.0 1.720 8.000 679 671 A 37 THR HA A 40 ASN H 1.0 1.720 8.000 680 672 A 37 THR HA A 41 PHE HBx 1.0 1.720 8.000 681 673 A 46 LEU HDy% A 37 THR HA 1.0 1.799 3.663 682 674 A 33 HIS HE1 A 37 THR HB 1.0 1.720 8.000 683 675 A 37 THR HG2% A 37 THR HB 1.0 1.397 2.209 684 676 A 39 GLU H A 37 THR HB 1.0 1.667 3.069 685 677 A 25 TRP HBy A 37 THR HG2% 1.0 1.720 8.000 686 678 A 25 TRP HE3 A 37 THR HG2% 1.0 1.720 8.000 687 679 A 33 HIS HE1 A 37 THR HG2% 1.0 1.404 2.230 688 680 A 37 THR HG2% A 36 ARG HA 1.0 1.851 3.965 689 681 A 37 THR HG2% A 39 GLU H 1.0 1.720 8.000 690 682 A 33 HIS HE1 A 37 THR H 1.0 1.720 8.000 691 683 A 37 THR H A 37 THR HA 1.0 1.720 8.000 692 684 A 37 THR HG2% A 37 THR H 1.0 1.720 8.000 693 685 A 37 THR H A 41 PHE HBy 1.0 1.720 8.000 694 686 A 38 PRO HA A 38 PRO HBy 1.0 1.576 2.738 695 687 A 38 PRO HA A 38 PRO HBx 1.0 1.742 3.386 696 688 A 39 GLU H A 38 PRO HA 1.0 1.821 3.783 697 689 A 46 LEU HBx A 38 PRO HA 1.0 1.847 3.937 698 690 A 46 LEU HDy% A 38 PRO HA 1.0 1.685 3.143 699 691 A 38 PRO HBy A 38 PRO HBx 1.0 1.319 2.011 700 692 A 39 GLU H A 38 PRO HBy 1.0 1.720 8.000 701 693 A 25 TRP HD1 A 38 PRO HDy 1.0 1.720 8.000 702 694 A 38 PRO HDy A 37 THR HG2% 1.0 1.720 8.000 703 695 A 38 PRO HDy A 38 PRO HBy 1.0 1.692 3.168 704 696 A 38 PRO HDy A 38 PRO HDx 1.0 1.556 2.676 705 697 A 38 PRO HDy A 38 PRO HGx 1.0 1.736 3.356 706 698 A 37 THR HG2% A 38 PRO HDx 1.0 1.780 3.570 707 699 A 38 PRO HDx A 38 PRO HGx 1.0 1.544 2.634 708 700 A 38 PRO HDx A 39 GLU H 1.0 1.741 3.383 709 701 A 25 TRP HD1 A 38 PRO HGy 1.0 1.720 8.000 710 702 A 38 PRO HGy A 37 THR H 1.0 1.720 8.000 711 703 A 38 PRO HBy A 38 PRO HGx 1.0 1.668 3.072 712 704 A 38 PRO HBx A 38 PRO HGx 1.0 1.720 8.000 713 705 A 46 LEU HBx A 38 PRO HGx 1.0 1.662 3.050 714 706 A 39 GLU HA A 39 GLU HBx 1.0 1.720 8.000 715 707 A 39 GLU HA A 39 GLU HGx 1.0 1.621 2.895 716 708 A 39 GLU HA A 41 PHE H 1.0 1.720 8.000 717 709 A 39 GLU HA A 39 GLU HBy 1.0 1.673 3.093 718 710 A 39 GLU HGx A 39 GLU HBy 1.0 1.819 3.773 719 711 A 39 GLU HBx A 39 GLU HBy 1.0 1.360 2.114 720 712 A 39 GLU HA A 39 GLU HGy 1.0 1.688 3.154 721 713 A 39 GLU HBx A 39 GLU HGy 1.0 1.465 2.399 722 714 A 39 GLU HGx A 39 GLU HGy 1.0 1.281 1.923 723 715 A 39 GLU HBx A 39 GLU HGx 1.0 1.720 8.000 724 716 A 39 GLU H A 38 PRO HGx 1.0 1.720 8.000 725 717 A 39 GLU H A 39 GLU HA 1.0 1.720 8.000 726 718 A 39 GLU H A 39 GLU HBy 1.0 1.720 8.000 727 719 A 39 GLU H A 39 GLU HBx 1.0 1.569 2.715 728 720 A 39 GLU H A 39 GLU HGy 1.0 1.695 3.181 729 721 A 39 GLU H A 39 GLU HGx 1.0 1.790 3.616 730 722 A 37 THR H A 40 ASN HA 1.0 1.720 8.000 731 723 A 40 ASN HA A 40 ASN HBx 1.0 1.593 2.799 732 724 A 41 PHE H A 40 ASN HA 1.0 1.733 3.343 733 725 A 40 ASN HA A 42 PRO HDx 1.0 1.749 3.415 734 726 A 37 THR H A 40 ASN HBy 1.0 1.623 2.903 735 727 A 40 ASN HBy A 41 PHE HDx 1.0 1.594 2.802 736 728 A 46 LEU HDy% A 40 ASN HBy 1.0 1.720 8.000 737 729 A 37 THR H A 40 ASN HBx 1.0 1.720 8.000 738 730 A 40 ASN HBx A 40 ASN HBy 1.0 1.427 2.291 739 731 A 40 ASN HBx A 41 PHE HDx 1.0 1.569 2.719 740 732 A 46 LEU HDy% A 40 ASN HBx 1.0 1.720 8.000 741 733 A 34 ASN HBy A 40 ASN HD21 1.0 1.959 4.901 742 734 A 34 ASN HBx A 40 ASN HD21 1.0 1.950 4.784 743 735 A 34 ASN HBy A 40 ASN HD22 1.0 1.847 3.939 744 736 A 34 ASN HBx A 40 ASN HD22 1.0 1.844 3.920 745 737 A 40 ASN HD21 A 40 ASN HD22 1.0 1.349 2.087 746 738 A 37 THR HG2% A 40 ASN H 1.0 1.720 8.000 747 739 A 38 PRO HGy A 40 ASN H 1.0 1.700 8.000 748 740 A 40 ASN H A 39 GLU HBy 1.0 1.993 5.557 749 741 A 39 GLU H A 40 ASN H 1.0 1.883 4.177 750 742 A 40 ASN H A 40 ASN HA 1.0 1.808 3.714 751 743 A 40 ASN H A 40 ASN HBy 1.0 1.505 2.515 752 744 A 40 ASN H A 40 ASN HBx 1.0 1.700 8.000 753 745 A 40 ASN H A 41 PHE HA 1.0 1.720 8.000 754 746 A 40 ASN H A 41 PHE HBy 1.0 1.700 8.000 755 747 A 40 ASN H A 41 PHE HBx 1.0 1.720 8.000 756 748 A 40 ASN H A 41 PHE HDx 1.0 1.720 8.000 757 749 A 40 ASN H A 41 PHE H 1.0 1.509 2.527 758 750 A 40 ASN H A 41 PHE HZ 1.0 1.700 8.000 759 751 A 40 ASN H A 42 PRO HDy 1.0 1.989 6.605 760 752 A 46 LEU HDy% A 40 ASN H 1.0 1.720 8.000 761 753 A 41 PHE HA A 41 PHE HBy 1.0 1.784 3.584 762 754 A 41 PHE HA A 41 PHE HBx 1.0 1.674 3.096 763 755 A 41 PHE H A 41 PHE HA 1.0 1.720 8.000 764 756 A 42 PRO HDx A 41 PHE HA 1.0 1.661 3.047 765 757 A 41 PHE HDx A 41 PHE HBx 1.0 1.690 3.162 766 757 A 41 PHE HBx A 41 PHE HDy 1.0 1.690 3.162 767 757 A 41 PHE HDx A 41 PHE HBy 1.0 1.690 3.162 768 757 A 41 PHE HBy A 41 PHE HDy 1.0 1.690 3.162 769 758 A 41 PHE HBx A 41 PHE HBy 1.0 1.394 2.202 770 759 A 41 PHE HDx A 41 PHE HBy 1.0 1.490 2.472 771 760 A 37 THR H A 41 PHE HBx 1.0 1.720 8.000 772 761 A 41 PHE HDx A 41 PHE HBx 1.0 1.720 8.000 773 762 A 41 PHE HEx A 41 PHE HDx 1.0 1.720 8.000 774 763 A 46 LEU HDx% A 41 PHE HDx 1.0 1.720 8.000 775 764 A 41 PHE HZ A 41 PHE HEy 1.0 1.400 2.220 776 764 A 41 PHE HEx A 41 PHE HZ 1.0 1.400 2.220 777 765 A 36 ARG HBx A 41 PHE HEx 1.0 1.720 8.000 778 766 A 37 THR HG2% A 41 PHE HEx 1.0 1.720 8.000 779 767 A 41 PHE HEx A 41 PHE HZ 1.0 1.720 8.000 780 768 A 39 GLU HBx A 41 PHE H 1.0 1.700 8.000 781 769 A 39 GLU H A 41 PHE H 1.0 1.720 8.000 782 770 A 41 PHE H A 40 ASN HBx 1.0 1.720 8.000 783 771 A 41 PHE H A 41 PHE HBy 1.0 1.579 2.751 784 772 A 41 PHE H A 41 PHE HBx 1.0 1.720 8.000 785 773 A 41 PHE H A 42 PRO HA 1.0 1.889 4.221 786 774 A 41 PHE H A 42 PRO HGx 1.0 1.720 8.000 787 775 A 42 PRO HA A 42 PRO HBy 1.0 1.720 8.000 788 776 A 42 PRO HA A 42 PRO HGx 1.0 1.682 3.126 789 777 A 42 PRO HBy A 42 PRO HBx 1.0 1.350 2.090 790 778 A 42 PRO HBy A 42 PRO HGy 1.0 1.720 8.000 791 779 A 42 PRO HDy A 42 PRO HGy 1.0 1.464 2.394 792 780 A 42 PRO HDy A 42 PRO HGx 1.0 1.740 3.372 793 781 A 40 ASN H A 42 PRO HDx 1.0 1.720 8.000 794 782 A 42 PRO HDx A 42 PRO HDy 1.0 1.356 2.106 795 783 A 42 PRO HDx A 42 PRO HGy 1.0 1.614 2.874 796 784 A 42 PRO HDx A 42 PRO HGx 1.0 1.830 3.842 797 785 A 42 PRO HGy A 43 SER H 1.0 1.720 8.000 798 786 A 39 GLU HA A 42 PRO HGx 1.0 1.806 3.704 799 787 A 43 SER HA A 43 SER HBy 1.0 1.833 3.857 800 788 A 43 SER HA A 43 SER HBx 1.0 1.760 3.470 801 789 A 43 SER H A 43 SER HA 1.0 1.721 3.289 802 790 A 43 SER HA A 44 LYS H 1.0 1.934 4.610 803 791 A 43 SER HBy A 43 SER HBx 1.0 1.541 2.627 804 792 A 42 PRO HA A 43 SER H 1.0 1.766 3.498 805 793 A 42 PRO HGx A 43 SER H 1.0 1.700 8.000 806 794 A 43 SER H A 43 SER HBy 1.0 1.851 3.967 807 795 A 43 SER H A 43 SER HBx 1.0 1.794 3.640 808 796 A 44 LYS HA A 44 LYS HBx 1.0 1.524 2.572 809 797 A 44 LYS HBx A 44 LYS HBy 1.0 1.462 2.388 810 798 A 46 LEU HBx A 44 LYS HBy 1.0 1.720 8.000 811 799 A 46 LEU HDy% A 44 LYS HBy 1.0 1.717 3.273 812 800 A 46 LEU HDy% A 44 LYS HBx 1.0 1.873 4.111 813 801 A 44 LYS HBx A 53 ASN H 1.0 1.720 8.000 814 802 A 43 SER H A 44 LYS H 1.0 1.690 3.162 815 803 A 44 LYS H A 44 LYS HA 1.0 1.780 3.566 816 804 A 44 LYS H A 44 LYS HBy 1.0 1.901 4.325 817 805 A 44 LYS H A 44 LYS HBx 1.0 1.720 8.000 818 806 A 44 LYS H A 45 ASN HD22 1.0 1.821 3.787 819 807 A 44 LYS H A 45 ASN H 1.0 1.705 3.223 820 808 A 44 LYS H A 46 LEU HBy 1.0 1.720 8.000 821 809 A 45 ASN HA A 45 ASN HBy 1.0 1.725 3.311 822 810 A 45 ASN HBx A 45 ASN HA 1.0 1.765 3.491 823 811 A 8 ASN HB3 A 45 ASN HBy 1.0 1.685 3.141 824 812 A 45 ASN HBx A 45 ASN HBy 1.0 1.392 2.198 825 813 A 45 ASN HD21 A 45 ASN HA 1.0 1.762 3.478 826 814 A 45 ASN HD21 A 45 ASN HBy 1.0 1.720 8.000 827 815 A 45 ASN HD21 A 45 ASN HBx 1.0 1.958 4.894 828 816 A 45 ASN HD22 A 45 ASN HA 1.0 1.547 2.645 829 817 A 45 ASN HD22 A 45 ASN HBy 1.0 1.720 8.000 830 818 A 45 ASN HBx A 45 ASN HD22 1.0 1.720 8.000 831 819 A 45 ASN HD21 A 45 ASN HD22 1.0 1.318 2.012 832 820 A 44 LYS HA A 45 ASN H 1.0 1.734 3.348 833 821 A 45 ASN H A 45 ASN HA 1.0 1.720 8.000 834 822 A 45 ASN H A 45 ASN HBy 1.0 1.720 8.000 835 823 A 45 ASN HBx A 45 ASN H 1.0 1.720 8.000 836 824 A 45 ASN HD22 A 45 ASN H 1.0 1.909 4.387 837 825 A 25 TRP HD1 A 46 LEU HA 1.0 1.746 3.402 838 826 A 46 LEU HBx A 46 LEU HA 1.0 1.610 2.860 839 827 A 46 LEU HA A 46 LEU HDx% 1.0 1.370 2.142 840 828 A 46 LEU HDy% A 46 LEU HA 1.0 1.846 3.936 841 829 A 46 LEU HA A 46 LEU HG 1.0 1.632 2.938 842 830 A 46 LEU HBx A 46 LEU HBy 1.0 1.416 2.262 843 831 A 46 LEU HDx% A 46 LEU HBy 1.0 1.614 2.870 844 832 A 46 LEU HDy% A 46 LEU HBy 1.0 1.567 2.711 845 833 A 25 TRP HD1 A 46 LEU HBx 1.0 1.720 8.000 846 834 A 26 SER H A 46 LEU HBx 1.0 1.720 8.000 847 835 A 46 LEU HBx A 45 ASN HD22 1.0 1.720 8.000 848 836 A 46 LEU HBx A 46 LEU HDx% 1.0 1.720 8.000 849 837 A 25 TRP HD1 A 46 LEU HDx% 1.0 1.720 8.000 850 838 A 25 TRP HE1 A 46 LEU HDx% 1.0 1.867 4.065 851 839 A 25 TRP HZ2 A 46 LEU HDx% 1.0 1.837 3.881 852 840 A 46 LEU HDx% A 44 LYS HBy 1.0 1.602 2.832 853 841 A 46 LEU HDx% A 47 ASP HBx 1.0 1.720 8.000 854 842 A 46 LEU HDx% A 52 ARG H 1.0 1.878 4.144 855 843 A 46 LEU HDx% A 53 ASN H 1.0 1.720 8.000 856 844 A 25 TRP HE3 A 46 LEU HDy% 1.0 1.720 8.000 857 845 A 46 LEU HDy% A 37 THR H 1.0 1.663 3.053 858 846 A 46 LEU HDy% A 41 PHE HDx 1.0 1.593 2.797 859 847 A 46 LEU HBx A 46 LEU HDy% 1.0 1.649 2.999 860 848 A 46 LEU HDy% A 46 LEU HDx% 1.0 1.359 2.111 861 849 A 46 LEU HDy% A 46 LEU H 1.0 1.720 8.000 862 850 A 46 LEU HDy% A 47 ASP H 1.0 1.720 8.000 863 851 A 46 LEU HDy% A 54 PRO HGx 1.0 1.827 3.819 864 852 A 45 ASN H A 46 LEU HG 1.0 1.720 8.000 865 853 A 46 LEU HBx A 46 LEU HG 1.0 1.727 3.321 866 854 A 46 LEU HDx% A 46 LEU HG 1.0 1.591 2.793 867 855 A 46 LEU HDy% A 46 LEU HG 1.0 1.570 2.720 868 856 A 54 PRO HGy A 46 LEU HG 1.0 1.805 3.695 869 857 A 45 ASN HA A 46 LEU H 1.0 1.567 2.709 870 858 A 45 ASN H A 46 LEU H 1.0 1.738 3.366 871 859 A 46 LEU HA A 46 LEU H 1.0 1.711 3.245 872 860 A 46 LEU HBy A 46 LEU H 1.0 1.528 2.586 873 861 A 46 LEU HBx A 46 LEU H 1.0 1.767 3.503 874 862 A 46 LEU HDx% A 46 LEU H 1.0 1.676 3.102 875 863 A 46 LEU HG A 46 LEU H 1.0 1.720 8.000 876 864 A 46 LEU H A 52 ARG HBx 1.0 1.720 8.000 877 865 A 25 TRP HD1 A 47 ASP HA 1.0 1.720 8.000 878 866 A 47 ASP HA A 47 ASP HBy 1.0 1.632 2.936 879 867 A 47 ASP HBx A 47 ASP HA 1.0 1.720 8.000 880 868 A 50 TYR HEx A 47 ASP HBy 1.0 1.720 8.000 881 869 A 47 ASP HBx A 47 ASP HBy 1.0 1.366 2.130 882 870 A 47 ASP HBx A 52 ARG HE 1.0 1.722 3.294 883 871 A 25 TRP HD1 A 47 ASP H 1.0 1.945 4.727 884 872 A 46 LEU HA A 47 ASP H 1.0 1.438 2.322 885 873 A 47 ASP H A 46 LEU HDx% 1.0 1.720 8.000 886 874 A 47 ASP H A 47 ASP HA 1.0 1.818 3.768 887 875 A 47 ASP H A 47 ASP HBy 1.0 1.854 3.984 888 876 A 47 ASP H A 47 ASP HBx 1.0 1.430 2.300 889 877 A 50 TYR HBx A 47 ASP H 1.0 1.720 8.000 890 878 A 47 ASP H A 52 ARG HE 1.0 1.776 3.548 891 879 A 25 TRP HD1 A 48 GLU HA 1.0 1.720 8.000 892 880 A 48 GLU HA A 48 GLU HBy 1.0 1.754 3.442 893 881 A 48 GLU HA A 48 GLU HGy 1.0 1.670 3.080 894 882 A 48 GLU HBy A 48 GLU HBx 1.0 1.357 2.107 895 883 A 48 GLU HBy A 48 GLU HGx 1.0 1.739 3.373 896 884 A 48 GLU HBy A 48 GLU H 1.0 1.720 8.000 897 885 A 48 GLU HBy A 50 TYR HA 1.0 1.720 8.000 898 886 A 48 GLU HBy A 50 TYR HBy 1.0 1.720 8.000 899 887 A 50 TYR HEx A 48 GLU HBy 1.0 1.750 3.420 900 888 A 48 GLU HBy A 50 TYR H 1.0 1.604 2.834 901 889 A 48 GLU HBx A 48 GLU HGx 1.0 1.753 3.437 902 890 A 49 ASN HBy A 48 GLU HBx 1.0 1.720 8.000 903 891 A 48 GLU HGy A 48 GLU HBx 1.0 1.765 3.495 904 892 A 48 GLU HGy A 48 GLU HGx 1.0 1.585 2.773 905 893 A 50 TYR HEx A 48 GLU HGx 1.0 1.641 2.973 906 894 A 47 ASP HA A 48 GLU H 1.0 1.419 2.271 907 895 A 47 ASP HBy A 48 GLU H 1.0 1.785 3.595 908 896 A 48 GLU HA A 48 GLU H 1.0 1.402 2.224 909 897 A 48 GLU HBx A 48 GLU H 1.0 1.720 8.000 910 898 A 48 GLU HGx A 48 GLU H 1.0 1.700 8.000 911 899 A 24 HIS HA A 49 ASN HA 1.0 1.768 3.506 912 900 A 24 HIS H A 49 ASN HA 1.0 1.720 8.000 913 901 A 25 TRP HD1 A 49 ASN HA 1.0 1.720 8.000 914 902 A 25 TRP H A 49 ASN HA 1.0 1.610 2.856 915 903 A 49 ASN HA A 48 GLU HBx 1.0 1.720 8.000 916 904 A 49 ASN HA A 49 ASN HBx 1.0 1.645 2.985 917 905 A 49 ASN HA A 64 HIS H 1.0 1.720 8.000 918 906 A 22 CYS H A 49 ASN HBy 1.0 1.720 8.000 919 907 A 49 ASN HBy A 49 ASN HBx 1.0 1.610 2.856 920 908 A 14 ALA HB% A 49 ASN HD21 1.0 1.723 3.299 921 909 A 48 GLU HGx A 49 ASN HD21 1.0 1.700 8.000 922 910 A 49 ASN HD21 A 49 ASN HD22 1.0 1.441 2.331 923 911 A 14 ALA HB% A 49 ASN HD22 1.0 1.685 3.139 924 912 A 48 GLU HGx A 49 ASN HD22 1.0 1.700 8.000 925 913 A 48 GLU HA A 49 ASN H 1.0 1.720 8.000 926 914 A 48 GLU HBy A 49 ASN H 1.0 1.298 1.962 927 915 A 48 GLU HBx A 49 ASN H 1.0 1.393 2.199 928 916 A 48 GLU HGx A 49 ASN H 1.0 1.700 8.000 929 917 A 49 ASN HA A 49 ASN H 1.0 1.845 3.929 930 918 A 49 ASN HBy A 49 ASN H 1.0 1.720 8.000 931 919 A 49 ASN HBx A 49 ASN H 1.0 1.720 8.000 932 920 A 14 ALA HB% A 50 TYR HA 1.0 1.715 3.265 933 921 A 14 ALA H A 50 TYR HA 1.0 1.720 8.000 934 922 A 50 TYR HA A 50 TYR HBy 1.0 1.726 3.314 935 923 A 50 TYR HBx A 50 TYR HA 1.0 1.630 2.930 936 924 A 50 TYR HDx A 50 TYR HA 1.0 1.556 2.676 937 925 A 50 TYR HEx A 50 TYR HA 1.0 1.720 8.000 938 926 A 50 TYR HA A 51 CYS HBy 1.0 1.720 8.000 939 927 A 9 TYR HDx A 50 TYR HBy 1.0 1.720 8.000 940 928 A 48 GLU HBx A 50 TYR HBy 1.0 1.720 8.000 941 929 A 50 TYR HBx A 50 TYR HBy 1.0 1.421 2.275 942 930 A 50 TYR HDx A 50 TYR HBy 1.0 1.720 8.000 943 931 A 50 TYR HEx A 50 TYR HBy 1.0 1.720 8.000 944 932 A 50 TYR HBx A 25 TRP HD1 1.0 1.720 8.000 945 933 A 50 TYR HBx A 50 TYR HDx 1.0 1.720 8.000 946 934 A 50 TYR HDx A 47 ASP HBy 1.0 1.811 3.727 947 934 A 47 ASP HBy A 50 TYR HDy 1.0 1.811 3.727 948 935 A 50 TYR HDx A 47 ASP HBx 1.0 1.798 3.658 949 935 A 47 ASP HBx A 50 TYR HDy 1.0 1.798 3.658 950 936 A 50 TYR HDx A 49 ASN H 1.0 1.701 3.205 951 936 A 49 ASN H A 50 TYR HDy 1.0 1.701 3.205 952 937 A 52 ARG HE A 50 TYR HDy 1.0 1.732 3.338 953 937 A 50 TYR HDx A 52 ARG HE 1.0 1.732 3.338 954 938 A 13 VAL H A 50 TYR HDx 1.0 1.720 8.000 955 939 A 50 TYR HDx A 47 ASP HBy 1.0 1.720 8.000 956 940 A 50 TYR HDx A 47 ASP HBx 1.0 1.720 8.000 957 941 A 50 TYR HDx A 48 GLU HBx 1.0 1.720 8.000 958 942 A 50 TYR HDx A 49 ASN H 1.0 1.696 3.186 959 943 A 50 TYR HDx A 50 TYR HEx 1.0 1.561 2.689 960 944 A 50 TYR HEx A 48 GLU HGy 1.0 1.720 8.000 961 944 A 48 GLU HGy A 50 TYR HEy 1.0 1.720 8.000 962 945 A 12 ASN HB3 A 50 TYR HEx 1.0 1.720 8.000 963 946 A 50 TYR HEx A 47 ASP HBx 1.0 1.720 8.000 964 947 A 50 TYR HEx A 48 GLU HBx 1.0 1.749 3.419 965 948 A 50 TYR HEx A 48 GLU HGy 1.0 1.720 8.000 966 949 A 50 TYR HBx A 50 TYR HEx 1.0 1.720 8.000 967 950 A 50 TYR HEx A 50 TYR H 1.0 1.720 8.000 968 951 A 25 TRP HE1 A 50 TYR H 1.0 1.901 4.317 969 952 A 48 GLU HBx A 50 TYR H 1.0 1.720 8.000 970 953 A 49 ASN HA A 50 TYR H 1.0 1.720 8.000 971 954 A 49 ASN HBx A 50 TYR H 1.0 1.912 4.406 972 955 A 50 TYR H A 49 ASN H 1.0 1.765 3.495 973 956 A 50 TYR HA A 50 TYR H 1.0 1.842 3.912 974 957 A 50 TYR HBy A 50 TYR H 1.0 1.855 3.993 975 958 A 50 TYR HBx A 50 TYR H 1.0 1.671 3.083 976 959 A 50 TYR HDx A 50 TYR H 1.0 1.610 2.854 977 959 A 50 TYR H A 50 TYR HDy 1.0 1.610 2.854 978 960 A 50 TYR HDx A 50 TYR H 1.0 1.464 2.396 979 961 A 51 CYS H A 50 TYR H 1.0 1.720 8.000 980 962 A 25 TRP HZ2 A 51 CYS HA 1.0 1.710 3.242 981 963 A 51 CYS HA A 51 CYS HBx 1.0 1.536 2.612 982 964 A 51 CYS HA A 62 TRP H 1.0 1.720 8.000 983 965 A 63 CYS HBx A 51 CYS HA 1.0 1.845 3.927 984 966 A 13 VAL HGx% A 51 CYS HBy 1.0 1.788 3.604 985 967 A 51 CYS HBy A 51 CYS HBx 1.0 1.397 2.211 986 968 A 51 CYS H A 51 CYS HBy 1.0 1.540 2.624 987 969 A 77 ILE HD1% A 51 CYS HBy 1.0 1.711 3.247 988 970 A 52 ARG H A 51 CYS HBx 1.0 1.720 8.000 989 971 A 13 VAL HGx% A 51 CYS H 1.0 1.828 3.824 990 972 A 14 ALA HA A 51 CYS H 1.0 1.704 3.222 991 973 A 51 CYS H A 50 TYR HA 1.0 1.480 2.442 992 974 A 51 CYS H A 50 TYR HBy 1.0 1.633 2.941 993 975 A 50 TYR HBx A 51 CYS H 1.0 1.720 8.000 994 976 A 50 TYR HDx A 51 CYS H 1.0 1.720 8.000 995 977 A 51 CYS H A 51 CYS HA 1.0 1.761 3.469 996 978 A 51 CYS H A 51 CYS HBx 1.0 1.720 8.000 997 979 A 9 TYR H A 52 ARG HA 1.0 1.720 8.000 998 980 A 46 LEU HDx% A 52 ARG HA 1.0 1.899 4.303 999 981 A 50 TYR H A 52 ARG HA 1.0 1.720 8.000 1000 982 A 52 ARG HA A 52 ARG HG2 1.0 1.821 3.787 1001 983 A 25 TRP HZ2 A 52 ARG HBy 1.0 1.722 3.294 1002 984 A 52 ARG HBy A 46 LEU HG 1.0 1.720 8.000 1003 985 A 46 LEU HDx% A 52 ARG HBx 1.0 1.718 3.280 1004 986 A 52 ARG HBx A 52 ARG HG2 1.0 1.511 2.533 1005 987 A 52 ARG HE A 52 ARG HDy 1.0 1.778 3.556 1006 988 A 45 ASN HBy A 52 ARG HDx 1.0 1.738 3.368 1007 989 A 46 LEU HDx% A 52 ARG HDx 1.0 1.886 4.202 1008 990 A 52 ARG HBy A 52 ARG HDx 1.0 1.720 8.000 1009 991 A 52 ARG HDy A 52 ARG HDx 1.0 1.625 2.913 1010 992 A 52 ARG HE A 52 ARG HDx 1.0 1.606 2.842 1011 993 A 52 ARG HG2 A 52 ARG HDx 1.0 1.729 3.327 1012 994 A 52 ARG H A 52 ARG HDx 1.0 1.720 8.000 1013 995 A 45 ASN HBy A 52 ARG HE 1.0 1.769 3.515 1014 996 A 46 LEU HDx% A 52 ARG HE 1.0 1.889 4.227 1015 997 A 25 TRP HE1 A 52 ARG HG2 1.0 1.820 3.780 1016 998 A 25 TRP HZ2 A 52 ARG HG2 1.0 1.720 8.000 1017 999 A 46 LEU HDx% A 52 ARG HG2 1.0 1.658 3.032 1018 1000 A 52 ARG HE A 52 ARG HG2 1.0 1.808 3.712 1019 1001 A 25 TRP HZ2 A 52 ARG H 1.0 1.555 2.671 1020 1002 A 52 ARG H A 51 CYS HA 1.0 1.462 2.388 1021 1003 A 52 ARG H A 52 ARG HA 1.0 1.741 3.383 1022 1004 A 52 ARG HBy A 52 ARG H 1.0 1.745 3.401 1023 1005 A 52 ARG H A 52 ARG HBx 1.0 1.964 4.960 1024 1006 A 52 ARG H A 52 ARG HG2 1.0 1.892 4.246 1025 1007 A 52 ARG H A 54 PRO HDx 1.0 1.917 4.451 1026 1008 A 52 ARG H A 63 CYS HBx 1.0 1.951 4.799 1027 1009 A 53 ASN HBx A 53 ASN HA 1.0 1.772 3.526 1028 1010 A 53 ASN HA A 54 PRO HDy 1.0 1.670 3.078 1029 1011 A 53 ASN HA A 54 PRO HDx 1.0 1.720 8.000 1030 1012 A 53 ASN HA A 62 TRP HD1 1.0 1.633 2.939 1031 1013 A 53 ASN HA A 62 TRP HE1 1.0 1.638 2.960 1032 1014 A 53 ASN HA A 62 TRP H 1.0 1.818 3.770 1033 1015 A 53 ASN HBy A 53 ASN HA 1.0 1.801 3.673 1034 1016 A 53 ASN HBy A 53 ASN HBx 1.0 1.444 2.336 1035 1017 A 53 ASN HBx A 62 TRP H 1.0 1.720 8.000 1036 1018 A 53 ASN HD21 A 5 THR HG2% 1.0 1.640 2.968 1037 1019 A 53 ASN HD21 A 60 ALA H 1.0 1.729 3.327 1038 1020 A 53 ASN HD21 A 61 PRO HDy 1.0 1.700 8.000 1039 1021 A 53 ASN HD2y A 5 THR HB 1.0 1.611 2.861 1040 1022 A 53 ASN HD2y A 53 ASN HBy 1.0 1.549 2.655 1041 1023 A 53 ASN HD2y A 53 ASN HBx 1.0 1.691 3.163 1042 1024 A 53 ASN H A 52 ARG HA 1.0 1.515 2.545 1043 1025 A 53 ASN H A 52 ARG HBx 1.0 1.705 3.223 1044 1026 A 53 ASN H A 52 ARG HDy 1.0 1.955 4.845 1045 1027 A 53 ASN H A 52 ARG HDx 1.0 1.957 4.865 1046 1028 A 53 ASN H A 52 ARG HG2 1.0 1.720 8.000 1047 1029 A 53 ASN HA A 53 ASN H 1.0 1.805 3.695 1048 1030 A 53 ASN HBy A 53 ASN H 1.0 1.787 3.605 1049 1031 A 53 ASN HBx A 53 ASN H 1.0 1.967 5.013 1050 1032 A 53 ASN H A 54 PRO HA 1.0 1.948 4.760 1051 1033 A 53 ASN H A 54 PRO HDx 1.0 1.926 4.536 1052 1034 A 60 ALA HA A 53 ASN H 1.0 1.700 8.000 1053 1035 A 46 LEU HDx% A 54 PRO HA 1.0 1.805 3.699 1054 1036 A 54 PRO HGx A 54 PRO HA 1.0 1.720 8.000 1055 1037 A 54 PRO HA A 55 ASP H 1.0 1.845 3.931 1056 1038 A 25 TRP HZ2 A 54 PRO HDy 1.0 1.720 8.000 1057 1039 A 46 LEU HDx% A 54 PRO HDy 1.0 1.842 3.906 1058 1040 A 54 PRO HDx A 54 PRO HDy 1.0 1.418 2.266 1059 1041 A 54 PRO HGy A 54 PRO HDy 1.0 1.721 3.289 1060 1042 A 54 PRO HGx A 54 PRO HDy 1.0 1.643 2.979 1061 1043 A 54 PRO HDy A 55 ASP HBx 1.0 1.720 8.000 1062 1044 A 54 PRO HDy A 62 TRP HD1 1.0 1.720 8.000 1063 1045 A 54 PRO HDy A 62 TRP HE3 1.0 1.720 8.000 1064 1046 A 46 LEU HDx% A 54 PRO HDx 1.0 1.668 3.074 1065 1047 A 52 ARG HBy A 54 PRO HDx 1.0 1.470 2.414 1066 1048 A 52 ARG HBx A 54 PRO HDx 1.0 1.528 2.584 1067 1049 A 54 PRO HGx A 54 PRO HDx 1.0 1.730 3.328 1068 1050 A 54 PRO HDx A 62 TRP HE1 1.0 1.720 8.000 1069 1051 A 54 PRO HGy A 54 PRO HGx 1.0 1.452 2.360 1070 1052 A 25 TRP HBx A 54 PRO HGx 1.0 1.720 8.000 1071 1053 A 46 LEU HDx% A 54 PRO HGx 1.0 1.720 8.000 1072 1054 A 53 ASN HA A 54 PRO HGx 1.0 1.720 8.000 1073 1055 A 53 ASN H A 54 PRO HGx 1.0 1.720 8.000 1074 1056 A 54 PRO HGx A 62 TRP HE1 1.0 1.808 3.716 1075 1057 A 36 ARG HGy A 55 ASP HA 1.0 1.720 8.000 1076 1058 A 55 ASP HA A 55 ASP HBy 1.0 1.720 8.000 1077 1059 A 55 ASP HBx A 55 ASP HA 1.0 1.698 3.196 1078 1060 A 55 ASP HBx A 55 ASP HBy 1.0 1.396 2.206 1079 1061 A 55 ASP HBy A 72 TRP HH2 1.0 1.720 8.000 1080 1062 A 36 ARG HDy A 55 ASP HBx 1.0 1.720 8.000 1081 1063 A 36 ARG HGx A 55 ASP HBx 1.0 1.639 2.963 1082 1064 A 62 TRP HH2 A 55 ASP HBx 1.0 1.767 3.503 1083 1065 A 62 TRP HZ2 A 55 ASP HBx 1.0 1.446 2.344 1084 1066 A 36 ARG HGy A 55 ASP H 1.0 1.817 3.765 1085 1067 A 36 ARG HGx A 55 ASP H 1.0 1.798 3.660 1086 1068 A 53 ASN HA A 55 ASP H 1.0 1.720 8.000 1087 1069 A 54 PRO HDy A 55 ASP H 1.0 1.711 3.245 1088 1070 A 54 PRO HGy A 55 ASP H 1.0 1.720 8.000 1089 1071 A 54 PRO HGx A 55 ASP H 1.0 1.618 2.884 1090 1072 A 55 ASP H A 55 ASP HA 1.0 1.735 3.353 1091 1073 A 55 ASP H A 55 ASP HBy 1.0 1.707 3.233 1092 1074 A 55 ASP H A 55 ASP HBx 1.0 1.745 3.397 1093 1075 A 55 ASP H A 56 GLY H 1.0 1.639 2.963 1094 1076 A 55 ASP H A 57 LYS HGy 1.0 1.720 8.000 1095 1077 A 62 TRP HZ2 A 55 ASP H 1.0 1.717 3.271 1096 1078 A 53 ASN HD2y A 56 GLY HA2 1.0 1.720 8.000 1097 1079 A 55 ASP HA A 56 GLY H 1.0 1.720 8.000 1098 1080 A 56 GLY H A 56 GLY HA2 1.0 1.720 8.000 1099 1081 A 56 GLY H A 57 LYS HGx 1.0 1.772 3.526 1100 1082 A 56 GLY H A 57 LYS HA 1.0 1.720 8.000 1101 1083 A 57 LYS HA A 57 LYS HBy 1.0 1.632 2.938 1102 1084 A 57 LYS HA A 57 LYS HBx 1.0 1.697 3.189 1103 1085 A 57 LYS HGx A 57 LYS HA 1.0 1.720 8.000 1104 1086 A 57 LYS HA A 74 TYR HEx 1.0 1.720 8.000 1105 1087 A 57 LYS HGx A 57 LYS HBy 1.0 1.751 3.425 1106 1088 A 57 LYS HBy A 74 TYR HEx 1.0 1.542 2.628 1107 1088 A 57 LYS HBy A 74 TYR HEy 1.0 1.542 2.628 1108 1089 A 57 LYS HBy A 74 TYR HEx 1.0 1.644 2.980 1109 1090 A 57 LYS HBy A 57 LYS HBx 1.0 1.413 2.253 1110 1091 A 57 LYS HBx A 59 ARG HG2 1.0 1.720 8.000 1111 1092 A 62 TRP HD1 A 57 LYS HBx 1.0 1.615 2.875 1112 1093 A 57 LYS HBx A 74 TYR HEx 1.0 1.668 3.074 1113 1093 A 57 LYS HBx A 74 TYR HEy 1.0 1.668 3.074 1114 1094 A 57 LYS HGy A 57 LYS HBy 1.0 1.621 2.897 1115 1095 A 57 LYS HGy A 57 LYS HGx 1.0 1.392 2.198 1116 1096 A 62 TRP HD1 A 57 LYS HGy 1.0 1.753 3.435 1117 1097 A 72 TRP HH2 A 57 LYS HGy 1.0 1.758 3.458 1118 1098 A 62 TRP HD1 A 57 LYS HGx 1.0 1.769 3.511 1119 1099 A 62 TRP HE1 A 57 LYS HGx 1.0 1.767 3.505 1120 1100 A 53 ASN HBy A 57 LYS H 1.0 1.929 4.559 1121 1101 A 53 ASN HD21 A 57 LYS H 1.0 1.718 3.278 1122 1102 A 53 ASN HD2y A 57 LYS H 1.0 1.720 8.000 1123 1103 A 56 GLY HA2 A 57 LYS H 1.0 1.720 8.000 1124 1104 A 56 GLY H A 57 LYS H 1.0 1.720 8.000 1125 1105 A 57 LYS HA A 57 LYS H 1.0 1.762 3.480 1126 1106 A 57 LYS HBy A 57 LYS H 1.0 1.720 8.000 1127 1107 A 57 LYS HBx A 57 LYS H 1.0 1.622 2.898 1128 1108 A 57 LYS HGy A 57 LYS H 1.0 1.700 8.000 1129 1109 A 57 LYS HGx A 57 LYS H 1.0 1.600 2.820 1130 1110 A 60 ALA H A 57 LYS H 1.0 1.720 8.000 1131 1111 A 62 TRP HD1 A 57 LYS H 1.0 1.780 3.566 1132 1112 A 62 TRP HE1 A 57 LYS H 1.0 1.875 4.123 1133 1113 A 74 TYR HEx A 57 LYS H 1.0 1.720 8.000 1134 1114 A 5 THR HG2% A 59 ARG HA 1.0 1.578 2.746 1135 1115 A 59 ARG HA A 59 ARG HG2 1.0 1.720 8.000 1136 1116 A 5 THR HG2% A 59 ARG HBy 1.0 1.720 8.000 1137 1117 A 59 ARG HBy A 59 ARG HBx 1.0 1.275 1.909 1138 1118 A 59 ARG HG2 A 59 ARG HBx 1.0 1.720 8.000 1139 1119 A 59 ARG HBy A 59 ARG HD3 1.0 1.774 3.536 1140 1120 A 59 ARG HBx A 59 ARG HD3 1.0 1.566 2.706 1141 1121 A 59 ARG HG2 A 59 ARG HD3 1.0 1.659 3.037 1142 1122 A 74 TYR HEx A 59 ARG HG2 1.0 1.628 2.920 1143 1122 A 59 ARG HG2 A 74 TYR HEy 1.0 1.628 2.920 1144 1123 A 74 TYR HEx A 59 ARG HG2 1.0 1.720 8.000 1145 1124 A 57 LYS HA A 59 ARG H 1.0 1.720 8.000 1146 1125 A 57 LYS HBy A 59 ARG H 1.0 1.481 2.445 1147 1126 A 57 LYS HBx A 59 ARG H 1.0 1.784 3.588 1148 1127 A 59 ARG HA A 59 ARG H 1.0 1.644 2.980 1149 1128 A 59 ARG HBx A 59 ARG H 1.0 1.882 4.174 1150 1129 A 59 ARG HD3 A 59 ARG H 1.0 1.720 8.000 1151 1130 A 59 ARG HG2 A 59 ARG H 1.0 1.317 2.007 1152 1131 A 60 ALA HA A 59 ARG H 1.0 1.700 8.000 1153 1132 A 74 TYR HEx A 59 ARG H 1.0 1.731 3.331 1154 1133 A 2 LEU HDx% A 60 ALA HA 1.0 1.720 8.000 1155 1134 A 2 LEU HDy% A 60 ALA HA 1.0 1.746 3.402 1156 1135 A 60 ALA HB% A 60 ALA HA 1.0 1.511 2.535 1157 1136 A 61 PRO HDy A 60 ALA HA 1.0 1.658 3.034 1158 1137 A 61 PRO HGy A 60 ALA HA 1.0 1.720 8.000 1159 1138 A 2 LEU HDy% A 60 ALA HB% 1.0 1.694 3.176 1160 1139 A 60 ALA HB% A 59 ARG HA 1.0 1.720 8.000 1161 1140 A 60 ALA HB% A 59 ARG HBy 1.0 1.720 8.000 1162 1141 A 60 ALA HB% A 59 ARG HG2 1.0 1.757 3.453 1163 1142 A 60 ALA HB% A 74 TYR HDx 1.0 1.720 8.000 1164 1143 A 53 ASN HBy A 60 ALA H 1.0 1.720 8.000 1165 1144 A 60 ALA H A 57 LYS HBy 1.0 1.720 8.000 1166 1145 A 60 ALA H A 57 LYS HBx 1.0 1.599 2.817 1167 1146 A 59 ARG HA A 60 ALA H 1.0 1.720 8.000 1168 1147 A 60 ALA H A 59 ARG HBx 1.0 1.975 5.133 1169 1148 A 60 ALA H A 59 ARG HG2 1.0 1.592 2.796 1170 1149 A 60 ALA H A 59 ARG H 1.0 1.780 3.566 1171 1150 A 60 ALA HA A 60 ALA H 1.0 1.720 8.000 1172 1151 A 60 ALA HB% A 60 ALA H 1.0 1.720 8.000 1173 1152 A 60 ALA H A 74 TYR HEy 1.0 1.720 8.000 1174 1152 A 60 ALA H A 74 TYR HEx 1.0 1.720 8.000 1175 1153 A 60 ALA H A 74 TYR HEx 1.0 1.720 8.000 1176 1154 A 52 ARG H A 61 PRO HA 1.0 1.720 8.000 1177 1155 A 53 ASN HBy A 61 PRO HA 1.0 1.720 8.000 1178 1156 A 53 ASN HBx A 61 PRO HA 1.0 1.645 2.985 1179 1157 A 62 TRP HD1 A 61 PRO HA 1.0 1.720 8.000 1180 1158 A 77 ILE HG1y A 61 PRO HA 1.0 1.720 8.000 1181 1159 A 61 PRO HBy A 61 PRO HBx 1.0 1.399 2.217 1182 1160 A 61 PRO HBy A 61 PRO HGx 1.0 1.720 8.000 1183 1161 A 77 ILE HD1% A 61 PRO HBy 1.0 1.817 3.761 1184 1162 A 52 ARG H A 61 PRO HBx 1.0 1.720 8.000 1185 1163 A 62 TRP H A 61 PRO HBx 1.0 1.887 4.211 1186 1164 A 74 TYR HEx A 61 PRO HBx 1.0 1.720 8.000 1187 1165 A 2 LEU HDy% A 61 PRO HDy 1.0 1.656 3.026 1188 1166 A 61 PRO HDy A 60 ALA HB% 1.0 1.606 2.844 1189 1167 A 61 PRO HDy A 61 PRO HDx 1.0 1.484 2.450 1190 1168 A 61 PRO HGy A 61 PRO HDy 1.0 1.540 2.622 1191 1169 A 77 ILE HB A 61 PRO HDy 1.0 1.720 8.000 1192 1170 A 77 ILE HD1% A 61 PRO HDy 1.0 1.720 8.000 1193 1171 A 2 LEU HDx% A 61 PRO HDx 1.0 1.749 3.415 1194 1172 A 6 GLY HAx A 61 PRO HDx 1.0 1.720 8.000 1195 1173 A 61 PRO HDx A 53 ASN HD2y 1.0 1.720 8.000 1196 1174 A 61 PRO HDx A 60 ALA HB% 1.0 1.579 2.749 1197 1175 A 77 ILE HB A 61 PRO HDx 1.0 1.720 8.000 1198 1176 A 2 LEU HDx% A 61 PRO HGy 1.0 1.640 2.964 1199 1177 A 61 PRO HGy A 61 PRO HBx 1.0 1.416 2.262 1200 1178 A 9 TYR H A 61 PRO HGx 1.0 1.720 8.000 1201 1179 A 61 PRO HBx A 61 PRO HGx 1.0 1.720 3.286 1202 1180 A 53 ASN HBy A 62 TRP HA 1.0 1.720 8.000 1203 1181 A 62 TRP HA A 62 TRP HB3 1.0 1.714 3.262 1204 1182 A 62 TRP HA A 62 TRP HB2 1.0 1.498 2.494 1205 1183 A 62 TRP HH2 A 62 TRP HA 1.0 1.720 8.000 1206 1184 A 62 TRP HA A 72 TRP HE3 1.0 1.995 5.619 1207 1185 A 57 LYS HGx A 62 TRP HB3 1.0 1.720 8.000 1208 1186 A 62 TRP HD1 A 62 TRP HB3 1.0 1.645 2.985 1209 1187 A 62 TRP HE3 A 62 TRP HB3 1.0 1.720 8.000 1210 1188 A 62 TRP HB3 A 72 TRP HE3 1.0 1.720 8.000 1211 1189 A 62 TRP HB3 A 62 TRP HB2 1.0 1.400 2.220 1212 1190 A 62 TRP HD1 A 62 TRP HB2 1.0 1.720 8.000 1213 1191 A 62 TRP HH2 A 62 TRP HB2 1.0 1.720 8.000 1214 1192 A 64 HIS HD2 A 62 TRP HB2 1.0 1.720 8.000 1215 1193 A 62 TRP HB2 A 72 TRP HE3 1.0 1.681 3.123 1216 1194 A 62 TRP HB2 A 73 GLU H 1.0 1.720 8.000 1217 1195 A 62 TRP HB2 A 74 TYR H 1.0 1.720 8.000 1218 1196 A 53 ASN HBx A 62 TRP HD1 1.0 1.821 3.785 1219 1197 A 62 TRP HD1 A 59 ARG HG2 1.0 1.720 8.000 1220 1198 A 54 PRO HDy A 62 TRP HE1 1.0 1.585 2.769 1221 1199 A 62 TRP HE1 A 55 ASP H 1.0 1.769 3.513 1222 1200 A 62 TRP HE1 A 57 LYS HGy 1.0 1.720 8.000 1223 1201 A 62 TRP HE1 A 62 TRP HA 1.0 1.700 8.000 1224 1202 A 62 TRP HD1 A 62 TRP HE1 1.0 1.720 8.000 1225 1203 A 62 TRP HZ2 A 62 TRP HE1 1.0 1.720 8.000 1226 1204 A 62 TRP HE3 A 62 TRP HA 1.0 1.880 4.164 1227 1205 A 62 TRP HE3 A 62 TRP HB2 1.0 1.689 3.159 1228 1206 A 62 TRP HE3 A 64 HIS HA 1.0 1.899 4.305 1229 1207 A 64 HIS HD2 A 62 TRP HE3 1.0 1.720 8.000 1230 1208 A 62 TRP HE3 A 72 TRP HE3 1.0 1.668 3.072 1231 1209 A 62 TRP HH2 A 62 TRP HE1 1.0 1.987 5.387 1232 1210 A 62 TRP HH2 A 72 TRP HB2 1.0 1.948 4.758 1233 1211 A 62 TRP H A 61 PRO HA 1.0 1.426 2.288 1234 1212 A 61 PRO HBy A 62 TRP H 1.0 1.720 8.000 1235 1213 A 62 TRP H A 62 TRP HA 1.0 1.797 3.655 1236 1214 A 62 TRP H A 62 TRP HB2 1.0 1.880 4.158 1237 1215 A 62 TRP H A 62 TRP HD1 1.0 1.727 3.319 1238 1216 A 62 TRP HZ2 A 36 ARG HE 1.0 1.788 3.610 1239 1217 A 62 TRP HZ2 A 54 PRO HGx 1.0 1.677 3.107 1240 1218 A 62 TRP HH2 A 62 TRP HZ2 1.0 1.484 2.452 1241 1219 A 62 TRP HZ2 A 72 TRP HH2 1.0 1.720 8.000 1242 1220 A 25 TRP HZ3 A 62 TRP HZ3 1.0 1.843 3.915 1243 1221 A 62 TRP HE3 A 62 TRP HZ3 1.0 1.583 2.765 1244 1222 A 62 TRP HH2 A 62 TRP HZ3 1.0 1.537 2.613 1245 1223 A 64 HIS HD2 A 62 TRP HZ3 1.0 1.765 3.491 1246 1224 A 64 HIS HE1 A 62 TRP HZ3 1.0 1.720 8.000 1247 1225 A 25 TRP HZ2 A 63 CYS HA 1.0 1.720 3.284 1248 1226 A 52 ARG H A 63 CYS HA 1.0 1.720 8.000 1249 1227 A 62 TRP HE3 A 63 CYS HA 1.0 1.714 3.260 1250 1228 A 63 CYS HBy A 63 CYS HA 1.0 1.679 3.117 1251 1229 A 63 CYS HBx A 63 CYS HA 1.0 1.721 3.291 1252 1230 A 63 CYS HBx A 63 CYS H 1.0 1.875 4.127 1253 1231 A 63 CYS HBx A 64 HIS H 1.0 1.627 2.919 1254 1232 A 51 CYS HA A 63 CYS H 1.0 1.974 5.112 1255 1233 A 62 TRP HA A 63 CYS H 1.0 1.720 8.000 1256 1234 A 62 TRP HB3 A 63 CYS H 1.0 1.720 8.000 1257 1235 A 62 TRP HB2 A 63 CYS H 1.0 1.557 2.679 1258 1236 A 62 TRP HE3 A 63 CYS H 1.0 1.673 3.093 1259 1237 A 62 TRP HH2 A 63 CYS H 1.0 1.720 8.000 1260 1238 A 63 CYS HA A 63 CYS H 1.0 1.882 4.174 1261 1239 A 63 CYS H A 72 TRP HA 1.0 1.720 8.000 1262 1240 A 64 HIS HA A 64 HIS HBy 1.0 1.582 2.762 1263 1241 A 64 HIS HD2 A 64 HIS HA 1.0 1.778 3.558 1264 1242 A 64 HIS H A 64 HIS HA 1.0 1.679 3.119 1265 1243 A 64 HIS HA A 72 TRP HB2 1.0 1.834 3.860 1266 1244 A 73 GLU H A 64 HIS HA 1.0 1.720 8.000 1267 1245 A 31 HIS HBx A 64 HIS HBy 1.0 1.506 2.520 1268 1246 A 31 HIS H A 64 HIS HBy 1.0 1.720 8.000 1269 1247 A 33 HIS HE1 A 64 HIS HBy 1.0 1.720 8.000 1270 1248 A 64 HIS HBx A 64 HIS HBy 1.0 1.488 2.466 1271 1249 A 64 HIS HD2 A 64 HIS HBy 1.0 1.665 3.063 1272 1250 A 23 GLN HBy A 64 HIS HBx 1.0 1.611 2.861 1273 1251 A 64 HIS HBx A 23 GLN HE21 1.0 1.693 3.173 1274 1252 A 64 HIS HBx A 23 GLN HE22 1.0 1.621 2.895 1275 1253 A 23 GLN H A 64 HIS HBx 1.0 1.720 8.000 1276 1254 A 64 HIS HBx A 24 HIS H 1.0 1.720 8.000 1277 1255 A 64 HIS HBx A 25 TRP HE3 1.0 1.720 8.000 1278 1256 A 64 HIS HBx A 25 TRP HZ3 1.0 1.720 8.000 1279 1257 A 64 HIS HBx A 64 HIS HD2 1.0 1.851 3.961 1280 1258 A 25 TRP HZ3 A 64 HIS HE1 1.0 1.643 2.977 1281 1259 A 33 HIS HE1 A 64 HIS HE1 1.0 1.720 8.000 1282 1260 A 64 HIS HE1 A 36 ARG HBy 1.0 1.874 4.118 1283 1261 A 64 HIS HE1 A 36 ARG HDx 1.0 1.731 3.331 1284 1262 A 64 HIS HBx A 64 HIS HE1 1.0 1.720 8.000 1285 1263 A 64 HIS HE1 A 64 HIS HD2 1.0 1.720 8.000 1286 1264 A 64 HIS H A 63 CYS HA 1.0 1.534 2.604 1287 1265 A 63 CYS HBy A 64 HIS H 1.0 1.700 8.000 1288 1266 A 64 HIS HBx A 64 HIS H 1.0 1.684 3.134 1289 1267 A 65 THR HG2% A 65 THR HA 1.0 1.627 2.917 1290 1268 A 65 THR HA A 65 THR H 1.0 1.673 3.091 1291 1269 A 65 THR HA A 66 THR HG2% 1.0 1.720 8.000 1292 1270 A 65 THR HA A 67 ASN H 1.0 1.787 3.601 1293 1271 A 20 HIS HBy A 65 THR HB 1.0 1.630 2.932 1294 1272 A 20 HIS HBx A 65 THR HB 1.0 1.736 3.356 1295 1273 A 23 GLN H A 65 THR HB 1.0 1.720 8.000 1296 1274 A 64 HIS HBy A 65 THR HB 1.0 1.720 8.000 1297 1275 A 65 THR HA A 65 THR HB 1.0 1.675 3.099 1298 1276 A 65 THR HG2% A 65 THR HB 1.0 1.630 2.930 1299 1277 A 64 HIS HBy A 65 THR HG1 1.0 1.720 8.000 1300 1278 A 65 THR HG2% A 65 THR HG1 1.0 1.518 2.554 1301 1279 A 65 THR HG1 A 70 VAL HGy% 1.0 1.806 3.702 1302 1280 A 20 HIS HBx A 65 THR HG2% 1.0 1.648 2.994 1303 1281 A 65 THR HG2% A 64 HIS HA 1.0 1.771 3.525 1304 1282 A 65 THR HG2% A 64 HIS HBy 1.0 1.720 8.000 1305 1283 A 65 THR HG2% A 66 THR H 1.0 1.720 8.000 1306 1284 A 65 THR HG2% A 67 ASN HBx 1.0 1.720 8.000 1307 1285 A 65 THR HG2% A 70 VAL HGx% 1.0 1.740 3.376 1308 1286 A 65 THR HG2% A 70 VAL HGy% 1.0 1.580 2.756 1309 1287 A 73 GLU HBx A 65 THR HG2% 1.0 1.683 3.133 1310 1288 A 31 HIS H A 65 THR H 1.0 1.700 8.000 1311 1289 A 64 HIS HA A 65 THR H 1.0 1.623 2.903 1312 1290 A 64 HIS HBy A 65 THR H 1.0 1.738 3.368 1313 1291 A 65 THR HG2% A 65 THR H 1.0 1.604 2.838 1314 1292 A 72 TRP HA A 65 THR H 1.0 1.811 3.731 1315 1293 A 30 PRO HDx A 66 THR HA 1.0 1.898 4.292 1316 1294 A 66 THR HA A 30 PRO HGx 1.0 1.680 3.122 1317 1295 A 31 HIS H A 66 THR HA 1.0 1.720 8.000 1318 1296 A 64 HIS HBx A 66 THR HA 1.0 1.720 8.000 1319 1297 A 66 THR HA A 66 THR HG2% 1.0 1.431 2.301 1320 1298 A 66 THR HA A 66 THR HB 1.0 1.692 3.172 1321 1299 A 66 THR HG2% A 66 THR HB 1.0 1.474 2.424 1322 1300 A 66 THR H A 66 THR HB 1.0 1.720 8.000 1323 1301 A 21 THR HB A 66 THR HG2% 1.0 1.770 3.516 1324 1302 A 21 THR HG2% A 66 THR HG2% 1.0 1.286 1.934 1325 1303 A 23 GLN H A 66 THR HG2% 1.0 1.670 3.082 1326 1304 A 66 THR HG2% A 30 PRO HGx 1.0 1.769 3.511 1327 1305 A 21 THR H A 66 THR H 1.0 1.822 3.790 1328 1306 A 66 THR H A 65 THR HA 1.0 1.499 2.499 1329 1307 A 66 THR H A 65 THR HB 1.0 1.720 8.000 1330 1308 A 66 THR H A 66 THR HA 1.0 1.595 2.803 1331 1309 A 66 THR H A 66 THR HG2% 1.0 1.532 2.600 1332 1310 A 67 ASN HA A 67 ASN HBy 1.0 1.705 3.221 1333 1311 A 67 ASN HBx A 67 ASN HA 1.0 1.686 3.146 1334 1312 A 67 ASN HBx A 67 ASN HBy 1.0 1.528 2.584 1335 1313 A 67 ASN HD21 A 67 ASN HBx 1.0 1.897 4.289 1336 1314 A 67 ASN HD22 A 20 HIS HE1 1.0 1.720 8.000 1337 1315 A 67 ASN HD21 A 67 ASN HD22 1.0 1.197 1.735 1338 1316 A 67 ASN H A 65 THR HB 1.0 1.634 2.944 1339 1317 A 67 ASN H A 65 THR HG1 1.0 1.720 8.000 1340 1318 A 66 THR HA A 67 ASN H 1.0 1.720 8.000 1341 1319 A 66 THR H A 67 ASN H 1.0 1.720 8.000 1342 1320 A 67 ASN H A 67 ASN HBy 1.0 1.720 8.000 1343 1321 A 67 ASN HBx A 67 ASN H 1.0 1.589 2.785 1344 1322 A 67 ASN H A 68 SER HA 1.0 1.700 8.000 1345 1323 A 67 ASN H A 70 VAL HGx% 1.0 1.720 8.000 1346 1324 A 67 ASN H A 70 VAL HGy% 1.0 1.720 8.000 1347 1325 A 68 SER HA A 68 SER HBy 1.0 1.618 2.884 1348 1326 A 68 SER HA A 68 SER H 1.0 1.776 3.548 1349 1327 A 68 SER HBy A 68 SER H 1.0 1.720 8.000 1350 1328 A 68 SER H A 69 GLN HA 1.0 1.720 8.000 1351 1329 A 68 SER H A 69 GLN HBx 1.0 1.700 8.000 1352 1330 A 68 SER H A 69 GLN HGy 1.0 1.844 3.920 1353 1331 A 68 SER H A 69 GLN HGx 1.0 1.720 8.000 1354 1332 A 69 GLN HA A 69 GLN HBx 1.0 1.720 8.000 1355 1333 A 69 GLN HA A 69 GLN HGx 1.0 1.720 8.000 1356 1334 A 69 GLN HA A 70 VAL H 1.0 1.720 8.000 1357 1335 A 69 GLN HBx A 69 GLN HGy 1.0 1.475 2.425 1358 1336 A 70 VAL HGx% A 69 GLN HBx 1.0 1.760 3.468 1359 1337 A 69 GLN HBx A 70 VAL H 1.0 1.800 3.670 1360 1338 A 67 ASN HBy A 69 GLN HE21 1.0 1.961 4.929 1361 1339 A 69 GLN HGx A 69 GLN HE21 1.0 1.961 4.931 1362 1340 A 67 ASN HBy A 69 GLN HE22 1.0 1.889 4.229 1363 1341 A 69 GLN HE21 A 69 GLN HE22 1.0 1.334 2.050 1364 1342 A 69 GLN HGx A 69 GLN HE22 1.0 1.932 4.592 1365 1343 A 67 ASN HBy A 69 GLN HGy 1.0 1.411 2.247 1366 1344 A 69 GLN HGy A 69 GLN H 1.0 1.740 3.374 1367 1345 A 20 HIS HD2 A 69 GLN HGx 1.0 1.720 8.000 1368 1346 A 68 SER HA A 69 GLN H 1.0 1.794 3.634 1369 1347 A 69 GLN H A 68 SER HBx 1.0 1.866 4.066 1370 1348 A 69 GLN HA A 69 GLN H 1.0 1.623 2.901 1371 1349 A 69 GLN HBx A 69 GLN H 1.0 1.546 2.644 1372 1350 A 69 GLN HGx A 69 GLN H 1.0 1.725 3.309 1373 1351 A 70 VAL HGx% A 69 GLN H 1.0 1.805 3.695 1374 1352 A 70 VAL HA A 70 VAL HB 1.0 1.609 2.851 1375 1353 A 70 VAL HGx% A 70 VAL HA 1.0 1.720 8.000 1376 1354 A 67 ASN HBy A 70 VAL HB 1.0 1.720 8.000 1377 1355 A 67 ASN H A 70 VAL HB 1.0 1.720 8.000 1378 1356 A 70 VAL HGx% A 70 VAL HB 1.0 1.330 2.038 1379 1357 A 70 VAL HGy% A 70 VAL HB 1.0 1.339 2.063 1380 1358 A 70 VAL HB A 73 GLU HGy 1.0 1.720 8.000 1381 1359 A 20 HIS HD2 A 70 VAL HGx% 1.0 1.611 2.863 1382 1360 A 70 VAL HGx% A 20 HIS HE1 1.0 1.720 8.000 1383 1361 A 70 VAL HGy% A 70 VAL HA 1.0 1.550 2.654 1384 1362 A 70 VAL HGy% A 72 TRP H 1.0 1.720 8.000 1385 1363 A 70 VAL H A 69 GLN H 1.0 1.720 8.000 1386 1364 A 70 VAL H A 70 VAL HA 1.0 1.775 3.541 1387 1365 A 70 VAL H A 70 VAL HB 1.0 1.684 3.134 1388 1366 A 70 VAL HGx% A 70 VAL H 1.0 1.648 2.996 1389 1367 A 70 VAL HGy% A 70 VAL H 1.0 1.720 8.000 1390 1368 A 64 HIS HD2 A 71 ARG HA 1.0 1.720 8.000 1391 1369 A 71 ARG HA A 71 ARG HB2 1.0 1.720 8.000 1392 1370 A 71 ARG HA A 72 TRP HD1 1.0 1.720 8.000 1393 1371 A 70 VAL HGy% A 71 ARG HB2 1.0 1.802 3.680 1394 1372 A 71 ARG HB2 A 72 TRP HD1 1.0 1.544 2.636 1395 1373 A 72 TRP HD1 A 71 ARG HE 1.0 1.248 1.848 1396 1374 A 71 ARG HG2 A 31 HIS HD2 1.0 1.833 3.855 1397 1375 A 71 ARG HA A 71 ARG HG2 1.0 1.720 8.000 1398 1376 A 71 ARG HE A 71 ARG HG2 1.0 1.834 3.862 1399 1377 A 70 VAL HA A 71 ARG H 1.0 1.720 8.000 1400 1378 A 70 VAL HB A 71 ARG H 1.0 1.720 8.000 1401 1379 A 70 VAL HGx% A 71 ARG H 1.0 1.807 3.709 1402 1380 A 70 VAL HGy% A 71 ARG H 1.0 1.730 3.332 1403 1381 A 71 ARG HA A 71 ARG H 1.0 1.611 2.859 1404 1382 A 71 ARG HB2 A 71 ARG H 1.0 1.678 3.112 1405 1383 A 72 TRP HD1 A 71 ARG H 1.0 1.720 8.000 1406 1384 A 72 TRP H A 71 ARG H 1.0 1.738 3.366 1407 1385 A 64 HIS HA A 72 TRP HA 1.0 1.700 3.202 1408 1386 A 64 HIS HD2 A 72 TRP HA 1.0 1.837 3.877 1409 1387 A 65 THR HG2% A 72 TRP HA 1.0 1.609 2.853 1410 1388 A 72 TRP HA A 70 VAL H 1.0 1.720 8.000 1411 1389 A 72 TRP HA A 72 TRP HB3 1.0 1.738 3.366 1412 1390 A 72 TRP HB2 A 72 TRP HA 1.0 1.732 3.340 1413 1391 A 72 TRP HA A 72 TRP HD1 1.0 1.720 8.000 1414 1392 A 62 TRP HH2 A 72 TRP HB3 1.0 1.720 8.000 1415 1393 A 65 THR HG2% A 72 TRP HB3 1.0 1.720 8.000 1416 1394 A 72 TRP HB2 A 72 TRP HB3 1.0 1.455 2.371 1417 1395 A 72 TRP HD1 A 72 TRP HB3 1.0 1.826 3.816 1418 1396 A 72 TRP HE3 A 72 TRP HB3 1.0 1.633 2.941 1419 1397 A 62 TRP HE3 A 72 TRP HB2 1.0 1.800 3.672 1420 1398 A 64 HIS HD2 A 72 TRP HB2 1.0 1.623 2.903 1421 1399 A 72 TRP HB2 A 72 TRP HD1 1.0 1.614 2.870 1422 1400 A 72 TRP HE3 A 72 TRP HB2 1.0 1.720 8.000 1423 1401 A 64 HIS HD2 A 72 TRP HD1 1.0 1.720 8.000 1424 1402 A 74 TYR H A 72 TRP HD1 1.0 1.720 8.000 1425 1403 A 71 ARG HE A 72 TRP HE1 1.0 1.703 3.215 1426 1404 A 72 TRP HD1 A 72 TRP HE1 1.0 1.505 2.517 1427 1405 A 72 TRP HE1 A 72 TRP HZ2 1.0 1.597 2.811 1428 1406 A 72 TRP HE3 A 62 TRP HZ3 1.0 1.720 8.000 1429 1407 A 72 TRP HH2 A 72 TRP HE3 1.0 1.720 8.000 1430 1408 A 72 TRP HH2 A 74 TYR HEx 1.0 1.780 3.564 1431 1409 A 70 VAL HGx% A 72 TRP H 1.0 1.700 8.000 1432 1410 A 72 TRP H A 71 ARG HB2 1.0 1.735 3.351 1433 1411 A 72 TRP HA A 72 TRP H 1.0 1.834 3.862 1434 1412 A 72 TRP H A 72 TRP HD1 1.0 1.660 3.040 1435 1413 A 72 TRP H A 72 TRP HE1 1.0 1.720 8.000 1436 1414 A 72 TRP HD1 A 72 TRP HZ2 1.0 1.720 8.000 1437 1415 A 72 TRP HH2 A 72 TRP HZ2 1.0 1.501 2.503 1438 1416 A 72 TRP HE3 A 72 TRP HZ3 1.0 1.546 2.642 1439 1417 A 72 TRP HH2 A 72 TRP HZ3 1.0 1.557 2.677 1440 1418 A 72 TRP HZ2 A 72 TRP HZ3 1.0 1.720 8.000 1441 1419 A 74 TYR HEx A 72 TRP HZ3 1.0 1.840 3.894 1442 1419 A 72 TRP HZ3 A 74 TYR HEy 1.0 1.840 3.894 1443 1420 A 74 TYR HEx A 72 TRP HZ3 1.0 1.641 2.967 1444 1421 A 72 TRP HE3 A 73 GLU HA 1.0 1.720 8.000 1445 1422 A 73 GLU HBy A 73 GLU HA 1.0 1.598 2.818 1446 1423 A 73 GLU HBx A 73 GLU HA 1.0 1.649 3.003 1447 1424 A 73 GLU HGy A 73 GLU HA 1.0 1.682 3.126 1448 1425 A 16 THR HG2% A 73 GLU HBy 1.0 1.587 2.777 1449 1426 A 73 GLU HBy A 17 VAL HGx% 1.0 1.874 4.118 1450 1427 A 73 GLU HBy A 65 THR HG2% 1.0 1.984 5.306 1451 1428 A 73 GLU HBy A 70 VAL HGy% 1.0 1.720 8.000 1452 1429 A 73 GLU HBy A 73 GLU HBx 1.0 1.380 2.168 1453 1430 A 73 GLU HBy A 73 GLU HGy 1.0 1.720 8.000 1454 1431 A 73 GLU HBx A 74 TYR H 1.0 1.720 8.000 1455 1432 A 65 THR HG2% A 73 GLU HGy 1.0 1.798 3.662 1456 1433 A 70 VAL HGx% A 73 GLU HGy 1.0 1.812 3.736 1457 1434 A 70 VAL HGy% A 73 GLU HGy 1.0 1.774 3.538 1458 1435 A 73 GLU HBx A 73 GLU HGy 1.0 1.496 2.486 1459 1436 A 74 TYR H A 73 GLU HGy 1.0 1.720 8.000 1460 1437 A 16 THR HG2% A 73 GLU H 1.0 1.774 3.536 1461 1438 A 65 THR HG2% A 73 GLU H 1.0 1.720 8.000 1462 1439 A 73 GLU H A 72 TRP HA 1.0 1.720 8.000 1463 1440 A 73 GLU H A 72 TRP HB3 1.0 1.680 3.120 1464 1441 A 73 GLU H A 72 TRP HB2 1.0 1.720 8.000 1465 1442 A 72 TRP HE3 A 73 GLU H 1.0 1.741 3.379 1466 1443 A 73 GLU H A 73 GLU HA 1.0 1.731 3.337 1467 1444 A 73 GLU HBy A 73 GLU H 1.0 1.868 4.076 1468 1445 A 73 GLU HBx A 73 GLU H 1.0 1.877 4.137 1469 1446 A 62 TRP HA A 74 TYR HA 1.0 1.637 2.953 1470 1447 A 63 CYS H A 74 TYR HA 1.0 1.902 4.326 1471 1448 A 73 GLU H A 74 TYR HA 1.0 1.945 4.731 1472 1449 A 74 TYR HA A 74 TYR HBy 1.0 1.633 2.939 1473 1450 A 74 TYR HDx A 74 TYR HA 1.0 1.516 2.548 1474 1451 A 74 TYR HDx A 74 TYR HBx 1.0 1.504 2.514 1475 1451 A 74 TYR HBx A 74 TYR HDy 1.0 1.504 2.514 1476 1451 A 74 TYR HBy A 74 TYR HDy 1.0 1.504 2.514 1477 1451 A 74 TYR HDx A 74 TYR HBy 1.0 1.504 2.514 1478 1452 A 74 TYR HBx A 74 TYR HBy 1.0 1.445 2.339 1479 1453 A 74 TYR HDx A 74 TYR HBy 1.0 1.720 8.000 1480 1454 A 17 VAL HGx% A 74 TYR HBx 1.0 1.801 3.673 1481 1455 A 74 TYR HDx A 74 TYR HBx 1.0 1.720 8.000 1482 1456 A 74 TYR HDx A 59 ARG HE 1.0 1.720 8.000 1483 1456 A 59 ARG HE A 74 TYR HDy 1.0 1.720 8.000 1484 1457 A 74 TYR HDx A 62 TRP HB3 1.0 1.775 3.541 1485 1457 A 62 TRP HB3 A 74 TYR HDy 1.0 1.775 3.541 1486 1458 A 72 TRP HH2 A 74 TYR HDy 1.0 1.720 8.000 1487 1458 A 72 TRP HH2 A 74 TYR HDx 1.0 1.720 8.000 1488 1459 A 74 TYR HEx A 74 TYR HDx 1.0 1.442 2.332 1489 1459 A 74 TYR HDx A 74 TYR HEy 1.0 1.442 2.332 1490 1459 A 74 TYR HDy A 74 TYR HEy 1.0 1.442 2.332 1491 1459 A 74 TYR HEx A 74 TYR HDy 1.0 1.442 2.332 1492 1460 A 74 TYR HDx A 59 ARG HE 1.0 1.720 8.000 1493 1461 A 74 TYR HDx A 62 TRP HA 1.0 1.892 4.246 1494 1462 A 74 TYR HDx A 62 TRP HB3 1.0 1.568 2.716 1495 1463 A 74 TYR HDx A 62 TRP HB2 1.0 1.720 8.000 1496 1464 A 74 TYR HDx A 72 TRP HE3 1.0 1.720 8.000 1497 1465 A 74 TYR HEx A 74 TYR HDx 1.0 1.720 8.000 1498 1466 A 74 TYR HDx A 74 TYR H 1.0 1.720 8.000 1499 1467 A 74 TYR HEx A 72 TRP HE3 1.0 1.720 8.000 1500 1467 A 72 TRP HE3 A 74 TYR HEy 1.0 1.720 8.000 1501 1468 A 57 LYS HGx A 74 TYR HEx 1.0 1.898 4.296 1502 1469 A 60 ALA HB% A 74 TYR HEx 1.0 1.720 8.000 1503 1470 A 62 TRP HD1 A 74 TYR HEx 1.0 1.720 8.000 1504 1471 A 74 TYR HEx A 72 TRP HE3 1.0 1.720 8.000 1505 1472 A 74 TYR HEx A 74 TYR H 1.0 1.720 8.000 1506 1473 A 17 VAL HGx% A 74 TYR H 1.0 1.720 8.000 1507 1474 A 17 VAL H A 74 TYR H 1.0 1.999 5.823 1508 1475 A 74 TYR H A 73 GLU HA 1.0 1.447 2.347 1509 1476 A 73 GLU HBy A 74 TYR H 1.0 1.720 8.000 1510 1477 A 74 TYR H A 74 TYR HA 1.0 1.754 3.438 1511 1478 A 74 TYR H A 74 TYR HBy 1.0 1.720 8.000 1512 1479 A 74 TYR H A 74 TYR HBx 1.0 1.509 2.527 1513 1480 A 17 VAL H A 75 CYS HA 1.0 1.606 2.842 1514 1481 A 75 CYS HA A 75 CYS HB2 1.0 1.793 3.635 1515 1482 A 13 VAL HGx% A 75 CYS HB2 1.0 1.720 8.000 1516 1483 A 17 VAL H A 75 CYS HB2 1.0 1.720 8.000 1517 1484 A 51 CYS HBy A 75 CYS HB2 1.0 1.720 8.000 1518 1485 A 51 CYS HBx A 75 CYS HB2 1.0 1.813 3.737 1519 1486 A 77 ILE HD1% A 75 CYS HB2 1.0 1.720 8.000 1520 1487 A 60 ALA HB% A 75 CYS H 1.0 1.797 3.655 1521 1488 A 62 TRP HA A 75 CYS H 1.0 1.739 3.369 1522 1489 A 74 TYR HA A 75 CYS H 1.0 1.557 2.675 1523 1490 A 75 CYS H A 74 TYR HBy 1.0 1.528 2.586 1524 1491 A 74 TYR HBx A 75 CYS H 1.0 1.794 3.638 1525 1492 A 74 TYR HDx A 75 CYS H 1.0 1.720 8.000 1526 1492 A 75 CYS H A 74 TYR HDy 1.0 1.720 8.000 1527 1493 A 74 TYR HDx A 75 CYS H 1.0 1.870 4.090 1528 1494 A 75 CYS HB2 A 75 CYS H 1.0 1.704 3.220 1529 1495 A 17 VAL HGx% A 76 LYS HA 1.0 1.720 8.000 1530 1496 A 76 LYS HA A 76 LYS HBx 1.0 1.702 3.210 1531 1497 A 76 LYS HA A 76 LYS HD2 1.0 1.720 8.000 1532 1498 A 76 LYS HA A 76 LYS HGy 1.0 1.704 3.218 1533 1499 A 17 VAL HGy% A 76 LYS HBy 1.0 1.710 3.244 1534 1500 A 76 LYS HBx A 76 LYS HBy 1.0 1.316 2.006 1535 1501 A 76 LYS HGy A 76 LYS HBy 1.0 1.587 2.777 1536 1502 A 17 VAL HGy% A 76 LYS HBx 1.0 1.623 2.905 1537 1503 A 76 LYS HBx A 76 LYS HD2 1.0 1.487 2.461 1538 1504 A 76 LYS HD2 A 76 LYS HGy 1.0 1.790 3.618 1539 1505 A 76 LYS HD2 A 76 LYS HGx 1.0 1.532 2.596 1540 1506 A 76 LYS HD2 A 76 LYS HE2 1.0 1.679 3.117 1541 1507 A 77 ILE HD1% A 76 LYS HGy 1.0 1.720 8.000 1542 1508 A 76 LYS HGx A 78 PRO HGx 1.0 1.720 8.000 1543 1509 A 76 LYS H A 17 VAL HGx% 1.0 1.861 4.027 1544 1510 A 76 LYS H A 17 VAL H 1.0 1.720 8.000 1545 1511 A 76 LYS H A 75 CYS HA 1.0 1.555 2.673 1546 1512 A 76 LYS H A 75 CYS HB2 1.0 1.720 8.000 1547 1513 A 76 LYS H A 75 CYS H 1.0 1.720 8.000 1548 1514 A 76 LYS H A 76 LYS HA 1.0 1.632 2.934 1549 1515 A 76 LYS H A 76 LYS HBy 1.0 1.720 8.000 1550 1516 A 76 LYS H A 76 LYS HBx 1.0 1.633 2.941 1551 1517 A 61 PRO HGy A 77 ILE HA 1.0 1.720 8.000 1552 1518 A 76 LYS HGy A 77 ILE HA 1.0 1.720 8.000 1553 1519 A 77 ILE HD1% A 77 ILE HA 1.0 1.610 2.858 1554 1520 A 77 ILE HG1x A 77 ILE HA 1.0 1.724 3.304 1555 1521 A 77 ILE HG2% A 77 ILE HA 1.0 1.573 2.733 1556 1522 A 77 ILE HA A 78 PRO HDy 1.0 1.645 2.987 1557 1523 A 77 ILE HB A 9 TYR HEx 1.0 1.720 8.000 1558 1524 A 77 ILE HD1% A 77 ILE HB 1.0 1.720 8.000 1559 1525 A 77 ILE HB A 77 ILE HG1x 1.0 1.540 2.624 1560 1526 A 77 ILE HB A 78 PRO HDy 1.0 1.720 8.000 1561 1527 A 77 ILE HD1% A -1 GLN HE22 1.0 1.720 8.000 1562 1528 A 77 ILE HD1% A 2 LEU HDx% 1.0 1.720 8.000 1563 1529 A 77 ILE HD1% A 9 TYR HDx 1.0 1.720 8.000 1564 1529 A 77 ILE HD1% A 9 TYR HDy 1.0 1.720 8.000 1565 1530 A 77 ILE HD1% A 9 TYR HDx 1.0 1.923 4.501 1566 1531 A 77 ILE HD1% A 13 VAL HGy% 1.0 1.669 3.077 1567 1532 A 77 ILE HD1% A 13 VAL HGx% 1.0 1.664 3.054 1568 1533 A 77 ILE HD1% A 13 VAL H 1.0 1.738 3.366 1569 1534 A 77 ILE HD1% A 51 CYS HBx 1.0 1.802 3.682 1570 1535 A 77 ILE HD1% A 61 PRO HBx 1.0 1.839 3.891 1571 1536 A 77 ILE HD1% A 76 LYS HBy 1.0 1.720 8.000 1572 1537 A 77 ILE HD1% A 76 LYS H 1.0 1.818 3.770 1573 1538 A 77 ILE HD1% A 77 ILE H 1.0 1.720 3.286 1574 1539 A 2 LEU HDx% A 77 ILE HG1y 1.0 1.620 2.894 1575 1540 A 9 TYR HEx A 77 ILE HG1y 1.0 1.574 2.734 1576 1541 A 77 ILE HB A 77 ILE HG1y 1.0 1.549 2.653 1577 1542 A 77 ILE HD1% A 77 ILE HG1y 1.0 1.574 2.732 1578 1543 A 77 ILE HG2% A 77 ILE HG1y 1.0 1.637 2.955 1579 1544 A 77 ILE HD1% A 77 ILE HG1x 1.0 1.541 2.625 1580 1545 A 77 ILE HG1x A 77 ILE HG1y 1.0 1.356 2.106 1581 1546 A 77 ILE HG2% A 2 LEU HBx 1.0 1.624 2.906 1582 1547 A 77 ILE HG2% A 7 GLU H 1.0 1.720 8.000 1583 1548 A 77 ILE HG2% A 9 TYR HEx 1.0 1.677 3.109 1584 1549 A 77 ILE HG2% A 77 ILE HB 1.0 1.446 2.344 1585 1550 A 77 ILE HD1% A 77 ILE HG2% 1.0 1.425 2.285 1586 1551 A 77 ILE HG2% A 77 ILE HG1x 1.0 1.766 3.498 1587 1552 A 77 ILE HG2% A 78 PRO HDy 1.0 1.688 3.152 1588 1553 A 77 ILE HG2% A 78 PRO HGy 1.0 1.720 8.000 1589 1554 A 77 ILE HG2% A 79 SER H 1.0 1.720 8.000 1590 1555 A 77 ILE H A 13 VAL HGx% 1.0 1.700 8.000 1591 1556 A 77 ILE H A 76 LYS HA 1.0 1.720 8.000 1592 1557 A 77 ILE H A 76 LYS H 1.0 1.863 4.039 1593 1558 A 77 ILE HB A 77 ILE H 1.0 1.588 2.782 1594 1559 A 77 ILE H A 77 ILE HG1y 1.0 1.720 8.000 1595 1560 A 77 ILE HG1x A 77 ILE H 1.0 1.708 3.238 1596 1561 A 2 LEU H A 78 PRO HA 1.0 1.720 8.000 1597 1562 A 78 PRO HBy A 78 PRO HA 1.0 1.874 4.120 1598 1563 A 78 PRO HBy A 78 PRO HBx 1.0 1.350 2.090 1599 1564 A 78 PRO HBx A 76 LYS HGx 1.0 1.720 8.000 1600 1565 A 77 ILE HG2% A 78 PRO HBx 1.0 1.865 4.057 1601 1566 A 78 PRO HBx A 78 PRO HGy 1.0 1.666 3.064 1602 1567 A 2 LEU H A 78 PRO HDy 1.0 1.810 3.724 1603 1568 A 78 PRO HBx A 78 PRO HDy 1.0 1.589 2.785 1604 1569 A 78 PRO HDy A 78 PRO HGy 1.0 1.703 3.213 1605 1570 A 78 PRO HGx A 78 PRO HDy 1.0 1.567 2.709 1606 1571 A 78 PRO HDx A 2 LEU H 1.0 1.720 8.000 1607 1572 A 77 ILE HD1% A 78 PRO HDx 1.0 1.839 3.889 1608 1573 A 77 ILE HG2% A 78 PRO HDx 1.0 1.523 2.569 1609 1574 A 78 PRO HDx A 78 PRO HDy 1.0 1.589 2.785 1610 1575 A 78 PRO HDx A 78 PRO HGy 1.0 1.438 2.320 1611 1576 A 78 PRO HDx A 78 PRO HGx 1.0 1.621 2.895 1612 1577 A 78 PRO HGx A 78 PRO HGy 1.0 1.564 2.702 1613 1578 A 1 CYS HBx A 79 SER HA 1.0 1.521 2.563 1614 1579 A 79 SER HA A 79 SER HBy 1.0 1.702 3.208 1615 1580 A 79 SER HA A 79 SER HBx 1.0 1.707 3.229 1616 1581 A 79 SER HBy A 79 SER HBx 1.0 1.476 2.428 1617 1582 A 79 SER H A 79 SER HBy 1.0 1.694 3.180 1618 1583 A 81 ASP H A 79 SER HBx 1.0 1.598 2.816 1619 1584 A 1 CYS HBy A 79 SER H 1.0 1.806 3.706 1620 1585 A 1 CYS HBx A 79 SER H 1.0 1.770 3.518 1621 1586 A 2 LEU HBy A 79 SER H 1.0 1.720 8.000 1622 1587 A 79 SER H A 2 LEU H 1.0 1.784 3.588 1623 1588 A 79 SER H A 78 PRO HA 1.0 1.664 3.058 1624 1589 A 79 SER H A 78 PRO HGx 1.0 1.931 4.585 1625 1590 A 79 SER H A 79 SER HA 1.0 1.700 8.000 1626 1591 A 79 SER H A 79 SER HBx 1.0 1.720 8.000 1627 1592 A 78 PRO HBx A 80 CYS HA 1.0 1.720 8.000 1628 1593 A 80 CYS HA A 80 CYS HBy 1.0 1.640 2.966 1629 1594 A 80 CYS HA A 80 CYS HBx 1.0 1.772 3.530 1630 1595 A 80 CYS HBy A 80 CYS H 1.0 1.879 4.155 1631 1596 A 80 CYS HBy A 80 CYS HBx 1.0 1.385 2.179 1632 1597 A 1 CYS HBy A 80 CYS H 1.0 1.832 3.846 1633 1598 A 1 CYS HBx A 80 CYS H 1.0 1.757 3.455 1634 1599 A 79 SER HA A 80 CYS H 1.0 1.464 2.396 1635 1600 A 79 SER HBy A 80 CYS H 1.0 1.720 8.000 1636 1601 A 79 SER H A 80 CYS H 1.0 1.899 4.307 1637 1602 A 80 CYS HBx A 80 CYS H 1.0 1.690 3.160 1638 1603 A 81 ASP H A 80 CYS H 1.0 1.869 4.085 1639 1604 A 81 ASP HBy A 81 ASP HA 1.0 1.737 3.361 1640 1605 A 81 ASP HBy A 81 ASP HBx 1.0 1.784 3.588 1641 1606 A 81 ASP H A 81 ASP HBy 1.0 1.793 3.633 1642 1607 A 1 CYS HBx A 81 ASP H 1.0 1.997 6.291 1643 1608 A 81 ASP H A 80 CYS HA 1.0 1.742 3.382 1644 1609 A 81 ASP H A 80 CYS HBy 1.0 1.720 8.000 1645 1610 A 81 ASP H A 81 ASP HA 1.0 1.712 3.248 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 disulfide_bond _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 22 CYS SG A 63 CYS SG 1.0 1.9 2.1 2 2 A 51 CYS SG A 75 CYS SG 1.0 1.9 2.1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin 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 2 LEU N A 78 PRO O 1.0 2.4 3.5 2 2 A 16 THR H A 20 HIS O 1.0 1.6 2.4 3 3 A 20 HIS O A 16 THR N 1.0 2.4 3.5 4 4 A 17 VAL H A 74 TYR O 1.0 1.6 2.4 5 5 A 74 TYR O A 17 VAL N 1.0 2.4 3.5 6 6 A 22 CYS H A 14 ALA O 1.0 1.6 2.4 7 7 A 14 ALA O A 22 CYS N 1.0 2.4 3.5 8 8 A 23 GLN H A 64 HIS O 1.0 1.6 2.4 9 9 A 64 HIS O A 23 GLN N 1.0 2.4 3.5 10 10 A 25 TRP H A 48 GLU O 1.0 1.6 2.4 11 11 A 48 GLU O A 25 TRP N 1.0 2.4 3.5 12 12 A 40 ASN H A 37 THR O 1.0 1.6 2.4 13 13 A 37 THR O A 40 ASN N 1.0 2.4 3.5 14 14 A 41 PHE H A 37 THR O 1.0 1.6 2.4 15 15 A 37 THR O A 41 PHE N 1.0 2.4 3.5 16 16 A 44 LYS H A 41 PHE O 1.0 1.6 2.4 17 17 A 41 PHE O A 44 LYS N 1.0 2.4 3.5 18 18 A 51 CYS H A 13 VAL O 1.0 1.6 2.4 19 19 A 13 VAL O A 51 CYS N 1.0 2.4 3.5 20 20 A 62 TRP H A 52 ARG O 1.0 1.6 2.4 21 21 A 52 ARG O A 62 TRP N 1.0 2.4 3.5 22 22 A 63 CYS H A 73 GLU O 1.0 1.6 2.4 23 23 A 73 GLU O A 63 CYS N 1.0 2.4 3.5 24 24 A 65 THR H A 71 ARG O 1.0 1.6 2.4 25 25 A 71 ARG O A 65 THR N 1.0 2.4 3.5 26 26 A 66 THR H A 21 THR O 1.0 1.6 2.4 27 27 A 21 THR O A 66 THR N 1.0 2.4 3.5 28 28 A 75 CYS H A 61 PRO O 1.0 1.6 2.4 29 29 A 61 PRO O A 75 CYS N 1.0 2.4 3.5 30 30 A 6 GLY H A 3 LYS O 1.0 1.6 2.4 31 31 A 3 LYS O A 6 GLY N 1.0 2.4 3.5 32 32 A 27 ALA H A 24 HIS O 1.0 1.6 2.4 33 33 A 24 HIS O A 27 ALA N 1.0 2.4 3.5 34 34 A 50 TYR H A 47 ASP O 1.0 1.6 2.4 35 35 A 47 ASP O A 50 TYR N 1.0 2.4 3.5 36 36 A 73 GLU H A 63 CYS O 1.0 1.6 2.4 37 37 A 63 CYS O A 73 GLU N 1.0 2.4 3.5 38 38 A 77 ILE H A 75 CYS O 1.0 1.6 2.4 39 39 A 75 CYS O A 77 ILE N 1.0 2.4 3.5 40 40 A 8 ASN OD1 A 3 LYS NZ 1.0 2.4 3.5 41 41 A 25 TRP HE1 A 50 TYR O 1.0 1.6 2.4 42 42 A 50 TYR O A 25 TRP NE1 1.0 2.4 3.5 43 43 A 31 HIS H A 23 GLN OE1 1.0 1.6 2.4 44 44 A 23 GLN OE1 A 31 HIS N 1.0 2.4 3.5 45 45 A 5 THR O A 53 ASN ND2 1.0 2.4 3.5 46 46 A 1 CYS SG A 80 CYS SG 1.0 1.9 2.1 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 TYR C A -1 GLN N A -1 GLN CA A -1 GLN C 1.0 -160.0 -80.0 PHI 2 2 A -1 GLN C A 1 CYS N A 1 CYS CA A 1 CYS C 1.0 -160.0 -80.0 PHI 3 3 A 1 CYS C A 2 LEU N A 2 LEU CA A 2 LEU C 1.0 -90.0 -50.0 PHI 4 4 A 2 LEU C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -160.0 -80.0 PHI 5 5 A 4 GLY C A 5 THR N A 5 THR CA A 5 THR C 1.0 -160.0 -80.0 PHI 6 6 A 7 GLU C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -150.0 -90.0 PHI 7 7 A 9 TYR C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -160.0 -80.0 PHI 8 8 A 11 GLY C A 12 ASN N A 12 ASN CA A 12 ASN C 1.0 -170.0 -70.0 PHI 9 9 A 13 VAL C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -150.0 -90.0 PHI 10 10 A 14 ALA C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -160.0 -80.0 PHI 11 11 A 15 VAL C A 16 THR N A 16 THR CA A 16 THR C 1.0 -90.0 -50.0 PHI 12 12 A 16 THR C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -65.0 -25.0 PHI 13 13 A 17 VAL C A 18 SER N A 18 SER CA A 18 SER C 1.0 -150.0 -90.0 PHI 14 14 A 18 SER C A 19 GLY N A 19 GLY CA A 19 GLY C 1.0 -90.0 -50.0 PHI 15 15 A 19 GLY C A 20 HIS N A 20 HIS CA A 20 HIS C 1.0 -90.0 -50.0 PHI 16 16 A 21 THR C A 22 CYS N A 22 CYS CA A 22 CYS C 1.0 -65.0 -25.0 PHI 17 17 A 22 CYS C A 23 GLN N A 23 GLN CA A 23 GLN C 1.0 -90.0 -50.0 PHI 18 18 A 24 HIS C A 25 TRP N A 25 TRP CA A 25 TRP C 1.0 -65.0 -25.0 PHI 19 19 A 27 ALA C A 28 GLN N A 28 GLN CA A 28 GLN C 1.0 -150.0 -90.0 PHI 20 20 A 30 PRO C A 31 HIS N A 31 HIS CA A 31 HIS C 1.0 -90.0 -50.0 PHI 21 21 A 31 HIS C A 32 THR N A 32 THR CA A 32 THR C 1.0 -160.0 -80.0 PHI 22 22 A 32 THR C A 33 HIS N A 33 HIS CA A 33 HIS C 1.0 -90.0 -50.0 PHI 23 23 A 36 ARG C A 37 THR N A 37 THR CA A 37 THR C 1.0 -160.0 -80.0 PHI 24 24 A 39 GLU C A 40 ASN N A 40 ASN CA A 40 ASN C 1.0 -140.0 -100.0 PHI 25 25 A 40 ASN C A 41 PHE N A 41 PHE CA A 41 PHE C 1.0 -160.0 -80.0 PHI 26 26 A 42 PRO C A 43 SER N A 43 SER CA A 43 SER C 1.0 -160.0 -80.0 PHI 27 27 A 43 SER C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -160.0 -80.0 PHI 28 28 A 45 ASN C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -160.0 -80.0 PHI 29 29 A 46 LEU C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -90.0 -50.0 PHI 30 30 A 48 GLU C A 49 ASN N A 49 ASN CA A 49 ASN C 1.0 -150.0 -90.0 PHI 31 31 A 50 TYR C A 51 CYS N A 51 CYS CA A 51 CYS C 1.0 -75.0 -15.0 PHI 32 32 A 51 CYS C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -95.0 -45.0 PHI 33 33 A 52 ARG C A 53 ASN N A 53 ASN CA A 53 ASN C 1.0 -150.0 -90.0 PHI 34 34 A 56 GLY C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -160.0 -80.0 PHI 35 35 A 61 PRO C A 62 TRP N A 62 TRP CA A 62 TRP C 1.0 -150.0 -90.0 PHI 36 36 A 63 CYS C A 64 HIS N A 64 HIS CA A 64 HIS C 1.0 -160.0 -80.0 PHI 37 37 A 64 HIS C A 65 THR N A 65 THR CA A 65 THR C 1.0 -90.0 -50.0 PHI 38 38 A 66 THR C A 67 ASN N A 67 ASN CA A 67 ASN C 1.0 -160.0 -80.0 PHI 39 39 A 68 SER C A 69 GLN N A 69 GLN CA A 69 GLN C 1.0 -90.0 -50.0 PHI 40 40 A 69 GLN C A 70 VAL N A 70 VAL CA A 70 VAL C 1.0 -150.0 -90.0 PHI 41 41 A 70 VAL C A 71 ARG N A 71 ARG CA A 71 ARG C 1.0 -95.0 5.0 PHI 42 42 A 71 ARG C A 72 TRP N A 72 TRP CA A 72 TRP C 1.0 -90.0 -50.0 PHI 43 43 A 74 TYR C A 75 CYS N A 75 CYS CA A 75 CYS C 1.0 -140.0 -100.0 PHI 44 44 A 75 CYS C A 76 LYS N A 76 LYS CA A 76 LYS C 1.0 -160.0 -80.0 PHI 45 45 A 76 LYS C A 77 ILE N A 77 ILE CA A 77 ILE C 1.0 -160.0 -80.0 PHI 46 46 A 79 SER C A 80 CYS N A 80 CYS CA A 80 CYS C 1.0 -90.0 -50.0 PHI 47 47 A 80 CYS C A 81 ASP N A 81 ASP CA A 81 ASP C 1.0 -90.0 -50.0 PHI 48 48 A 29 THR CA A 29 THR C A 30 PRO N A 30 PRO CA 1.0 -5.0 5.0 OMEGA 49 49 A 37 THR CA A 37 THR C A 38 PRO N A 38 PRO CA 1.0 175.0 185.0 OMEGA 50 50 A 41 PHE CA A 41 PHE C A 42 PRO N A 42 PRO CA 1.0 175.0 185.0 OMEGA 51 51 A 53 ASN CA A 53 ASN C A 54 PRO N A 54 PRO CA 1.0 175.0 185.0 OMEGA 52 52 A 60 ALA CA A 60 ALA C A 61 PRO N A 61 PRO CA 1.0 175.0 185.0 OMEGA 53 53 A 77 ILE CA A 77 ILE C A 78 PRO N A 78 PRO CA 1.0 175.0 185.0 OMEGA 54 54 A 2 LEU N A 2 LEU CA A 2 LEU CB A 2 LEU CG 1.0 130.0 230.0 CHI1 55 55 A 5 THR N A 5 THR CA A 5 THR CB A 5 THR OG1 1.0 30.0 90.0 CHI1 56 56 A 8 ASN N A 8 ASN CA A 8 ASN CB A 8 ASN CG 1.0 30.0 90.0 CHI1 57 57 A 12 ASN N A 12 ASN CA A 12 ASN CB A 12 ASN CG 1.0 25.0 95.0 CHI1 58 58 A 13 VAL N A 13 VAL CA A 13 VAL CB A 13 VAL CG1 1.0 145.0 215.0 CHI1 59 59 A 15 VAL N A 15 VAL CA A 15 VAL CB A 15 VAL CG1 1.0 150.0 210.0 CHI1 60 60 A 16 THR N A 16 THR CA A 16 THR CB A 16 THR OG1 1.0 30.0 90.0 CHI1 61 61 A 18 SER N A 18 SER CA A 18 SER CB A 18 SER OG 1.0 -90.0 -30.0 CHI1 62 62 A 20 HIS N A 20 HIS CA A 20 HIS CB A 20 HIS CG 1.0 -90.0 -30.0 CHI1 63 63 A 21 THR N A 21 THR CA A 21 THR CB A 21 THR OG1 1.0 -90.0 -30.0 CHI1 64 64 A 22 CYS N A 22 CYS CA A 22 CYS CB A 22 CYS SG 1.0 -90.0 -30.0 CHI1 65 65 A 23 GLN N A 23 GLN CA A 23 GLN CB A 23 GLN CG 1.0 130.0 230.0 CHI1 66 66 A 24 HIS N A 24 HIS CA A 24 HIS CB A 24 HIS CG 1.0 -90.0 -30.0 CHI1 67 67 A 25 TRP N A 25 TRP CA A 25 TRP CB A 25 TRP CG 1.0 -90.0 -30.0 CHI1 68 68 A 26 SER N A 26 SER CA A 26 SER CB A 26 SER OG 1.0 30.0 90.0 CHI1 69 69 A 28 GLN N A 28 GLN CA A 28 GLN CB A 28 GLN CG 1.0 -90.0 -30.0 CHI1 70 70 A 31 HIS N A 31 HIS CA A 31 HIS CB A 31 HIS CG 1.0 -90.0 -30.0 CHI1 71 71 A 33 HIS N A 33 HIS CA A 33 HIS CB A 33 HIS CG 1.0 30.0 90.0 CHI1 72 72 A 36 ARG N A 36 ARG CA A 36 ARG CB A 36 ARG CG 1.0 -90.0 -30.0 CHI1 73 73 A 40 ASN N A 40 ASN CA A 40 ASN CB A 40 ASN CG 1.0 -90.0 -30.0 CHI1 74 74 A 41 PHE N A 41 PHE CA A 41 PHE CB A 41 PHE CG 1.0 -90.0 -30.0 CHI1 75 75 A 45 ASN N A 45 ASN CA A 45 ASN CB A 45 ASN CG 1.0 -90.0 -30.0 CHI1 76 76 A 46 LEU N A 46 LEU CA A 46 LEU CB A 46 LEU CG 1.0 -95.0 -25.0 CHI1 77 77 A 47 ASP N A 47 ASP CA A 47 ASP CB A 47 ASP CG 1.0 -90.0 -30.0 CHI1 78 78 A 48 GLU N A 48 GLU CA A 48 GLU CB A 48 GLU CG 1.0 -90.0 -30.0 CHI1 79 79 A 49 ASN N A 49 ASN CA A 49 ASN CB A 49 ASN CG 1.0 30.0 90.0 CHI1 80 80 A 50 TYR N A 50 TYR CA A 50 TYR CB A 50 TYR CG 1.0 -90.0 -30.0 CHI1 81 81 A 51 CYS N A 51 CYS CA A 51 CYS CB A 51 CYS SG 1.0 -90.0 -30.0 CHI1 82 82 A 52 ARG N A 52 ARG CA A 52 ARG CB A 52 ARG CG 1.0 -90.0 -30.0 CHI1 83 83 A 53 ASN N A 53 ASN CA A 53 ASN CB A 53 ASN CG 1.0 150.0 210.0 CHI1 84 84 A 57 LYS N A 57 LYS CA A 57 LYS CB A 57 LYS CG 1.0 -90.0 -30.0 CHI1 85 85 A 62 TRP N A 62 TRP CA A 62 TRP CB A 62 TRP CG 1.0 30.0 90.0 CHI1 86 86 A 63 CYS N A 63 CYS CA A 63 CYS CB A 63 CYS SG 1.0 30.0 90.0 CHI1 87 87 A 64 HIS N A 64 HIS CA A 64 HIS CB A 64 HIS CG 1.0 -90.0 -30.0 CHI1 88 88 A 66 THR N A 66 THR CA A 66 THR CB A 66 THR OG1 1.0 30.0 90.0 CHI1 89 89 A 72 TRP N A 72 TRP CA A 72 TRP CB A 72 TRP CG 1.0 30.0 90.0 CHI1 90 90 A 74 TYR N A 74 TYR CA A 74 TYR CB A 74 TYR CG 1.0 -90.0 -30.0 CHI1 91 91 A 76 LYS N A 76 LYS CA A 76 LYS CB A 76 LYS CG 1.0 150.0 210.0 CHI1 92 92 A 77 ILE N A 77 ILE CA A 77 ILE CB A 77 ILE CG1 1.0 -90.0 -30.0 CHI1 93 93 A 79 SER N A 79 SER CA A 79 SER CB A 79 SER OG 1.0 -90.0 -30.0 CHI1 94 94 A 80 CYS N A 80 CYS CA A 80 CYS CB A 80 CYS SG 1.0 -90.0 -30.0 CHI1 95 95 A 22 CYS CB A 22 CYS SG A 63 CYS SG A 63 CYS CB 1.0 -100.0 -80.0 . stop_ save_