data_nef_c18618_2lwb save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_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 2 CYS SG 1 20 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 18 ASN start . . 2 A 19 CYS middle -HG . 3 A 20 ASP middle . . 4 A 21 TRP middle . . 5 A 22 ASP middle . . 6 A 23 LYS middle . . 7 A 24 SER middle . . 8 A 25 HIS middle . . 9 A 26 GLU middle . . 10 A 27 LYS middle . . 11 A 28 TYR middle . . 12 A 29 ASP middle . . 13 A 30 TRP middle . . 14 A 31 GLU middle . . 15 A 32 LEU middle . . 16 A 33 TRP middle . . 17 A 34 ASP middle . . 18 A 35 LYS middle . . 19 A 36 TRP middle . . 20 A 37 CYS end -HG . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 18 ASN HA H 1 4.032 0.007 A 18 ASN HBy H 1 0.971 0.009 A 18 ASN HBx H 1 -0.165 0.010 A 18 ASN HD2x H 1 6.304 0.007 A 18 ASN HD2y H 1 6.682 0.003 A 18 ASN CA C 13 50.487 0.042 A 18 ASN CB C 13 37.241 0.019 A 18 ASN ND2 N 15 111.762 6.632 A 19 CYS H H 1 8.794 0.015 A 19 CYS HA H 1 4.750 0.015 A 19 CYS HBy H 1 3.315 0.011 A 19 CYS HBx H 1 2.770 0.009 A 19 CYS CA C 13 56.054 0.000 A 19 CYS CB C 13 37.659 0.109 A 19 CYS N N 15 124.898 0.003 A 20 ASP H H 1 8.435 0.011 A 20 ASP HA H 1 4.588 0.010 A 20 ASP HBy H 1 2.603 0.006 A 20 ASP HBx H 1 2.349 0.012 A 20 ASP CA C 13 55.101 0.002 A 20 ASP CB C 13 40.490 0.020 A 20 ASP N N 15 118.071 0.036 A 21 TRP H H 1 6.884 0.011 A 21 TRP HA H 1 4.670 0.009 A 21 TRP HBx H 1 2.828 0.129 A 21 TRP HBy H 1 3.315 0.138 A 21 TRP HD1 H 1 6.506 0.010 A 21 TRP HE1 H 1 9.795 0.009 A 21 TRP HH2 H 1 6.976 0.024 A 21 TRP HZ2 H 1 7.317 0.011 A 21 TRP CA C 13 56.089 0.034 A 21 TRP CB C 13 27.413 0.046 A 21 TRP CD1 C 13 124.092 0.007 A 21 TRP CH2 C 13 124.823 0.077 A 21 TRP CZ2 C 13 114.219 0.031 A 21 TRP N N 15 120.298 0.026 A 21 TRP NE1 N 15 128.368 0.009 A 22 ASP H H 1 8.794 0.015 A 22 ASP HA H 1 4.619 0.012 A 22 ASP HBy H 1 2.989 0.009 A 22 ASP HBx H 1 2.672 0.009 A 22 ASP CA C 13 52.747 0.030 A 22 ASP CB C 13 42.388 0.086 A 22 ASP N N 15 125.460 0.010 A 23 LYS H H 1 7.652 0.011 A 23 LYS HA H 1 2.446 0.017 A 23 LYS HBx H 1 1.241 0.022 A 23 LYS HBy H 1 1.324 0.024 A 23 LYS HDx H 1 1.402 0.017 A 23 LYS HDy H 1 1.402 0.017 A 23 LYS HEx H 1 2.777 0.005 A 23 LYS HEy H 1 2.777 0.005 A 23 LYS HGx H 1 0.876 0.022 A 23 LYS HGy H 1 0.961 0.025 A 23 LYS CA C 13 57.967 0.030 A 23 LYS CB C 13 31.862 0.025 A 23 LYS CD C 13 29.305 0.000 A 23 LYS CE C 13 41.945 0.000 A 23 LYS CG C 13 24.648 0.037 A 23 LYS N N 15 115.382 0.008 A 24 SER H H 1 8.057 0.014 A 24 SER HA H 1 4.325 0.007 A 24 SER HBy H 1 3.925 0.008 A 24 SER HBx H 1 3.784 0.003 A 24 SER CA C 13 58.666 0.000 A 24 SER CB C 13 64.023 0.019 A 24 SER N N 15 114.012 0.044 A 25 HIS H H 1 8.268 0.016 A 25 HIS HA H 1 4.071 0.007 A 25 HIS HBx H 1 3.078 0.011 A 25 HIS HBy H 1 3.248 0.009 A 25 HIS HD2 H 1 7.002 0.012 A 25 HIS HE1 H 1 6.665 0.007 A 25 HIS CA C 13 58.698 0.118 A 25 HIS CB C 13 33.018 0.054 A 25 HIS CD2 C 13 117.798 0.017 A 25 HIS CE1 C 13 136.721 0.040 A 25 HIS N N 15 127.020 0.017 A 26 GLU H H 1 8.558 0.008 A 26 GLU HA H 1 4.067 0.007 A 26 GLU HBy H 1 1.916 0.013 A 26 GLU HBx H 1 1.839 0.014 A 26 GLU HGx H 1 2.031 0.018 A 26 GLU HGy H 1 2.104 0.023 A 26 GLU CA C 13 59.223 0.077 A 26 GLU CB C 13 29.406 0.030 A 26 GLU CG C 13 35.827 0.015 A 26 GLU N N 15 128.902 0.000 A 27 LYS H H 1 11.247 0.009 A 27 LYS HA H 1 4.247 0.006 A 27 LYS HBx H 1 0.219 0.008 A 27 LYS HBy H 1 1.309 0.011 A 27 LYS HDx H 1 1.401 0.005 A 27 LYS HDy H 1 1.401 0.005 A 27 LYS HEx H 1 2.894 0.013 A 27 LYS HEy H 1 2.894 0.013 A 27 LYS HGx H 1 1.095 0.008 A 27 LYS HGy H 1 1.095 0.008 A 27 LYS CA C 13 55.477 0.078 A 27 LYS CB C 13 31.022 0.048 A 27 LYS CD C 13 28.779 0.030 A 27 LYS CE C 13 42.055 0.016 A 27 LYS CG C 13 25.628 0.012 A 27 LYS N N 15 122.691 0.016 A 28 TYR H H 1 7.573 0.007 A 28 TYR HA H 1 4.570 0.008 A 28 TYR HBx H 1 2.907 0.122 A 28 TYR HBy H 1 3.422 0.120 A 28 TYR HDx H 1 6.997 0.010 A 28 TYR HDy H 1 6.997 0.010 A 28 TYR HEx H 1 6.517 0.010 A 28 TYR HEy H 1 6.517 0.010 A 28 TYR CA C 13 59.960 0.051 A 28 TYR CB C 13 39.100 0.007 A 28 TYR CDy C 13 134.104 0.018 A 28 TYR CEy C 13 117.316 0.033 A 28 TYR N N 15 119.707 0.018 A 29 ASP H H 1 7.729 0.007 A 29 ASP HA H 1 4.699 0.013 A 29 ASP HBx H 1 2.528 0.036 A 29 ASP HBy H 1 2.666 0.039 A 29 ASP CA C 13 53.258 0.052 A 29 ASP CB C 13 44.163 0.000 A 29 ASP N N 15 128.693 0.009 A 30 TRP H H 1 8.855 0.022 A 30 TRP HA H 1 4.068 0.006 A 30 TRP HBx H 1 3.314 0.005 A 30 TRP HBy H 1 3.585 0.007 A 30 TRP HD1 H 1 7.456 0.007 A 30 TRP HE1 H 1 10.204 0.006 A 30 TRP HE3 H 1 7.622 0.006 A 30 TRP HH2 H 1 7.175 0.005 A 30 TRP HZ2 H 1 7.472 0.003 A 30 TRP HZ3 H 1 7.088 0.007 A 30 TRP CA C 13 61.008 0.025 A 30 TRP CB C 13 28.562 0.037 A 30 TRP CD1 C 13 127.441 0.011 A 30 TRP CE3 C 13 120.935 0.023 A 30 TRP CH2 C 13 124.576 0.015 A 30 TRP CZ2 C 13 114.514 0.032 A 30 TRP CZ3 C 13 122.074 0.020 A 30 TRP N N 15 127.111 0.039 A 30 TRP NE1 N 15 129.384 0.010 A 31 GLU H H 1 7.656 0.014 A 31 GLU HA H 1 3.394 0.010 A 31 GLU HBx H 1 1.691 0.008 A 31 GLU HBy H 1 1.691 0.008 A 31 GLU HGx H 1 1.697 0.008 A 31 GLU HGy H 1 1.697 0.008 A 31 GLU CA C 13 59.581 0.012 A 31 GLU CB C 13 29.219 0.016 A 31 GLU CG C 13 36.550 0.019 A 31 GLU N N 15 118.852 0.014 A 32 LEU H H 1 7.324 0.009 A 32 LEU HA H 1 3.784 0.019 A 32 LEU HBx H 1 0.512 0.153 A 32 LEU HBy H 1 0.880 0.115 A 32 LEU HDx% H 1 0.796 0.011 A 32 LEU HDy% H 1 0.965 0.004 A 32 LEU HG H 1 1.450 0.020 A 32 LEU CA C 13 56.938 0.000 A 32 LEU CB C 13 40.090 0.070 A 32 LEU CDx C 13 23.063 0.038 A 32 LEU CDy C 13 26.200 0.051 A 32 LEU CG C 13 26.963 0.000 A 32 LEU N N 15 119.787 0.034 A 33 TRP H H 1 8.484 0.013 A 33 TRP HA H 1 3.763 0.011 A 33 TRP HBy H 1 3.307 0.011 A 33 TRP HBx H 1 3.174 0.010 A 33 TRP HD1 H 1 8.175 0.011 A 33 TRP HE1 H 1 10.519 0.015 A 33 TRP HE3 H 1 7.303 0.011 A 33 TRP HH2 H 1 7.310 0.006 A 33 TRP HZ2 H 1 7.533 0.008 A 33 TRP HZ3 H 1 7.279 0.003 A 33 TRP CA C 13 63.058 0.023 A 33 TRP CB C 13 28.503 0.054 A 33 TRP CD1 C 13 128.522 0.001 A 33 TRP CE3 C 13 120.682 0.041 A 33 TRP CH2 C 13 124.382 0.024 A 33 TRP CZ2 C 13 114.495 0.004 A 33 TRP CZ3 C 13 122.128 0.024 A 33 TRP N N 15 121.918 0.013 A 33 TRP NE1 N 15 130.237 0.007 A 34 ASP H H 1 8.490 0.014 A 34 ASP HA H 1 3.935 0.014 A 34 ASP HBx H 1 2.250 0.018 A 34 ASP HBy H 1 2.250 0.018 A 34 ASP CA C 13 57.449 0.043 A 34 ASP CB C 13 41.800 0.069 A 34 ASP N N 15 118.799 0.011 A 35 LYS H H 1 7.118 0.019 A 35 LYS HA H 1 3.660 0.005 A 35 LYS HBx H 1 1.157 0.069 A 35 LYS HBy H 1 1.423 0.068 A 35 LYS HDy H 1 1.134 0.012 A 35 LYS HDx H 1 1.063 0.007 A 35 LYS HEy H 1 2.458 0.013 A 35 LYS HEx H 1 2.302 0.016 A 35 LYS HGx H 1 0.025 0.110 A 35 LYS HGy H 1 0.475 0.090 A 35 LYS CA C 13 58.532 0.014 A 35 LYS CB C 13 33.250 0.037 A 35 LYS CD C 13 29.017 0.008 A 35 LYS CE C 13 41.826 0.027 A 35 LYS CG C 13 24.009 0.020 A 35 LYS N N 15 116.716 0.000 A 36 TRP H H 1 8.044 0.006 A 36 TRP HA H 1 4.567 0.013 A 36 TRP HBx H 1 2.925 0.006 A 36 TRP HBy H 1 2.925 0.006 A 36 TRP HD1 H 1 7.047 0.024 A 36 TRP HE1 H 1 10.217 0.012 A 36 TRP HE3 H 1 6.880 0.006 A 36 TRP HH2 H 1 7.104 0.010 A 36 TRP HZ2 H 1 7.326 0.007 A 36 TRP HZ3 H 1 6.853 0.013 A 36 TRP CA C 13 57.561 0.031 A 36 TRP CB C 13 32.350 0.056 A 36 TRP CD1 C 13 127.234 0.000 A 36 TRP CE3 C 13 121.355 0.094 A 36 TRP CH2 C 13 124.559 0.024 A 36 TRP CZ2 C 13 114.198 0.071 A 36 TRP CZ3 C 13 121.955 0.052 A 36 TRP N N 15 114.592 0.034 A 36 TRP NE1 N 15 127.278 0.014 A 37 CYS H H 1 8.263 0.007 A 37 CYS HA H 1 4.577 0.007 A 37 CYS HBy H 1 2.601 0.008 A 37 CYS HBx H 1 1.237 0.038 A 37 CYS CA C 13 53.694 0.024 A 37 CYS CB C 13 39.088 0.046 A 37 CYS N N 15 114.667 0.032 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 36 TRP HZ3 A 27 LYS HEx 1.0 . 4.45 2 1 A 27 LYS HEy A 36 TRP HZ3 1.0 . 4.45 3 2 A 22 ASP HA A 25 HIS HBx 1.0 . 4.91 4 3 A 25 HIS HA A 25 HIS HE1 1.0 . 4.96 5 4 A 36 TRP HD1 A 32 LEU HDy% 1.0 . 4.97 6 5 A 36 TRP HD1 A 32 LEU HDx% 1.0 . 4.97 7 6 A 25 HIS HE1 A 27 LYS HEx 1.0 . 4.26 8 6 A 27 LYS HEy A 25 HIS HE1 1.0 . 4.26 9 7 A 36 TRP HH2 A 27 LYS HEx 1.0 . 4.05 10 7 A 27 LYS HEy A 36 TRP HH2 1.0 . 4.05 11 8 A 32 LEU HG A 33 TRP HA 1.0 . 5.50 12 9 A 28 TYR HD% A 22 ASP HBy 1.0 . 5.11 13 10 A 36 TRP HD1 A 33 TRP HA 1.0 . 5.01 14 11 A 30 TRP HZ3 A 31 GLU HA 1.0 . 4.56 15 12 A 20 ASP H A 20 ASP HBy 1.0 . 4.15 16 13 A 22 ASP H A 21 TRP HBx 1.0 . 5.50 17 14 A 22 ASP H A 21 TRP HBy 1.0 . 5.50 18 15 A 22 ASP HA A 21 TRP HD1 1.0 . 4.30 19 16 A 22 ASP HA A 23 LYS H 1.0 . 3.16 20 17 A 22 ASP HA A 28 TYR HD% 1.0 . 4.09 21 18 A 23 LYS H A 22 ASP HBx 1.0 . 3.60 22 19 A 28 TYR HD% A 22 ASP HBx 1.0 . 5.11 23 20 A 22 ASP HA A 23 LYS HA 1.0 . 4.44 24 21 A 23 LYS HA A 25 HIS H 1.0 . 5.27 25 22 A 23 LYS H A 23 LYS HBy 1.0 . 4.09 26 23 A 23 LYS H A 23 LYS HBx 1.0 . 4.09 27 24 A 23 LYS HEy A 23 LYS HBy 1.0 . 4.86 28 24 A 23 LYS HBy A 23 LYS HEx 1.0 . 4.86 29 25 A 23 LYS HEy A 23 LYS HBx 1.0 . 4.86 30 25 A 23 LYS HBx A 23 LYS HEx 1.0 . 4.86 31 26 A 24 SER HA A 23 LYS HBy 1.0 . 5.49 32 27 A 24 SER HA A 23 LYS HBx 1.0 . 5.49 33 28 A 22 ASP HA A 23 LYS HGy 1.0 . 5.12 34 29 A 22 ASP HA A 23 LYS HGx 1.0 . 5.12 35 30 A 23 LYS H A 23 LYS HGy 1.0 . 4.36 36 31 A 23 LYS H A 23 LYS HGx 1.0 . 4.36 37 32 A 23 LYS HGy A 23 LYS HEx 1.0 . 3.91 38 32 A 23 LYS HEy A 23 LYS HGy 1.0 . 3.91 39 33 A 23 LYS HEx A 23 LYS HGx 1.0 . 3.91 40 33 A 23 LYS HEy A 23 LYS HGx 1.0 . 3.91 41 34 A 23 LYS HA A 24 SER HA 1.0 . 5.16 42 35 A 24 SER HA A 24 SER HBy 1.0 . 2.92 43 36 A 24 SER H A 24 SER HBy 1.0 . 4.01 44 37 A 24 SER H A 24 SER HBx 1.0 . 4.01 45 38 A 24 SER HA A 24 SER HBx 1.0 . 2.92 46 39 A 25 HIS H A 24 SER HBy 1.0 . 4.96 47 40 A 25 HIS H A 24 SER HBx 1.0 . 4.96 48 41 A 25 HIS HA A 21 TRP HD1 1.0 . 5.50 49 42 A 25 HIS HA A 24 SER H 1.0 . 5.05 50 43 A 28 TYR HD% A 26 GLU HA 1.0 . 4.23 51 44 A 21 TRP HD1 A 25 HIS HBy 1.0 . 5.50 52 45 A 22 ASP H A 25 HIS HBy 1.0 . 5.48 53 46 A 22 ASP H A 25 HIS HBx 1.0 . 5.48 54 47 A 22 ASP HA A 25 HIS HBy 1.0 . 4.91 55 48 A 25 HIS H A 25 HIS HBx 1.0 . 2.93 56 49 A 27 LYS H A 25 HIS HBy 1.0 . 5.50 57 50 A 27 LYS H A 25 HIS HBx 1.0 . 5.50 58 51 A 28 TYR H A 25 HIS HBy 1.0 . 5.09 59 52 A 28 TYR H A 25 HIS HBx 1.0 . 5.09 60 53 A 25 HIS HD2 A 25 HIS HBx 1.0 . 3.82 61 54 A 26 GLU HA A 27 LYS HGx 1.0 . 4.80 62 54 A 26 GLU HA A 27 LYS HGy 1.0 . 4.80 63 55 A 25 HIS HA A 28 TYR H 1.0 . 4.72 64 56 A 26 GLU HA A 28 TYR H 1.0 . 4.72 65 57 A 26 GLU HA A 26 GLU HBy 1.0 . 2.99 66 58 A 26 GLU HA A 26 GLU HBx 1.0 . 2.99 67 59 A 27 LYS H A 26 GLU HBy 1.0 . 5.06 68 60 A 27 LYS H A 26 GLU HBx 1.0 . 5.06 69 61 A 27 LYS HGy A 26 GLU HBy 1.0 . 4.61 70 61 A 26 GLU HBy A 27 LYS HGx 1.0 . 4.61 71 62 A 27 LYS HGy A 26 GLU HBx 1.0 . 4.61 72 62 A 26 GLU HBx A 27 LYS HGx 1.0 . 4.61 73 63 A 25 HIS HE1 A 26 GLU HGx 1.0 . 4.51 74 64 A 25 HIS HE1 A 26 GLU HGy 1.0 . 4.51 75 65 A 27 LYS HA A 26 GLU HGx 1.0 . 4.62 76 66 A 27 LYS HA A 26 GLU HGy 1.0 . 4.62 77 67 A 27 LYS HEy A 26 GLU HGx 1.0 . 4.87 78 67 A 26 GLU HGx A 27 LYS HEx 1.0 . 4.87 79 68 A 27 LYS HEy A 26 GLU HGy 1.0 . 4.87 80 68 A 26 GLU HGy A 27 LYS HEx 1.0 . 4.87 81 69 A 27 LYS HGy A 26 GLU HGx 1.0 . 3.78 82 69 A 26 GLU HGx A 27 LYS HGx 1.0 . 3.78 83 70 A 27 LYS HA A 27 LYS HEx 1.0 . 4.63 84 70 A 27 LYS HEy A 27 LYS HA 1.0 . 4.63 85 71 A 27 LYS HA A 28 TYR HA 1.0 . 5.32 86 72 A 36 TRP HH2 A 27 LYS HBy 1.0 . 5.38 87 73 A 36 TRP HE3 A 27 LYS HBx 1.0 . 4.68 88 74 A 36 TRP HZ3 A 27 LYS HBx 1.0 . 5.15 89 75 A 36 TRP HZ3 A 27 LYS HBy 1.0 . 5.15 90 76 A 27 LYS H A 27 LYS HDx 1.0 . 5.30 91 76 A 27 LYS H A 27 LYS HDy 1.0 . 5.30 92 77 A 27 LYS HA A 27 LYS HDx 1.0 . 4.11 93 77 A 27 LYS HA A 27 LYS HDy 1.0 . 4.11 94 78 A 36 TRP HZ2 A 27 LYS HDx 1.0 . 4.36 95 78 A 27 LYS HDy A 36 TRP HZ2 1.0 . 4.36 96 79 A 27 LYS HEx A 27 LYS HGx 1.0 . 3.30 97 79 A 27 LYS HEy A 27 LYS HGx 1.0 . 3.30 98 79 A 27 LYS HGy A 27 LYS HEx 1.0 . 3.30 99 79 A 27 LYS HEy A 27 LYS HGy 1.0 . 3.30 100 80 A 25 HIS HE1 A 27 LYS HGx 1.0 . 3.98 101 80 A 25 HIS HE1 A 27 LYS HGy 1.0 . 3.98 102 81 A 27 LYS HGy A 26 GLU HGy 1.0 . 3.78 103 81 A 26 GLU HGy A 27 LYS HGx 1.0 . 3.78 104 82 A 27 LYS HA A 27 LYS HGx 1.0 . 3.31 105 82 A 27 LYS HGy A 27 LYS HA 1.0 . 3.31 106 83 A 36 TRP HH2 A 27 LYS HGx 1.0 . 4.56 107 83 A 36 TRP HH2 A 27 LYS HGy 1.0 . 4.56 108 84 A 36 TRP HZ2 A 27 LYS HGx 1.0 . 5.50 109 84 A 27 LYS HGy A 36 TRP HZ2 1.0 . 5.50 110 85 A 36 TRP HZ3 A 27 LYS HGx 1.0 . 4.93 111 85 A 36 TRP HZ3 A 27 LYS HGy 1.0 . 4.93 112 86 A 21 TRP HD1 A 28 TYR HA 1.0 . 4.71 113 87 A 25 HIS HD2 A 28 TYR HA 1.0 . 3.63 114 88 A 23 LYS HA A 28 TYR HBx 1.0 . 4.67 115 89 A 23 LYS HA A 28 TYR HBy 1.0 . 4.67 116 90 A 27 LYS H A 28 TYR HBx 1.0 . 5.50 117 91 A 28 TYR H A 28 TYR HBx 1.0 . 3.35 118 92 A 28 TYR H A 28 TYR HBy 1.0 . 3.35 119 93 A 28 TYR HD% A 29 ASP HA 1.0 . 4.70 120 94 A 29 ASP HA A 28 TYR HE% 1.0 . 4.67 121 95 A 29 ASP HA A 30 TRP HBx 1.0 . 4.54 122 96 A 32 LEU H A 29 ASP HBx 1.0 . 5.28 123 97 A 28 TYR HD% A 30 TRP HA 1.0 . 4.06 124 98 A 29 ASP HA A 30 TRP HA 1.0 . 4.59 125 99 A 30 TRP HA A 31 GLU HGx 1.0 . 5.50 126 99 A 30 TRP HA A 31 GLU HGy 1.0 . 5.50 127 100 A 28 TYR HE% A 30 TRP HBy 1.0 . 4.74 128 101 A 29 ASP HA A 30 TRP HBy 1.0 . 5.21 129 102 A 30 TRP HBy A 30 TRP HD1 1.0 . 3.56 130 103 A 30 TRP HBy A 30 TRP HE3 1.0 . 3.52 131 104 A 31 GLU HA A 30 TRP HE3 1.0 . 3.50 132 105 A 31 GLU HA A 33 TRP H 1.0 . 4.96 133 106 A 30 TRP HE3 A 31 GLU HGx 1.0 . 4.04 134 106 A 31 GLU HGy A 30 TRP HE3 1.0 . 4.04 135 107 A 33 TRP H A 32 LEU HBx 1.0 . 4.49 136 108 A 33 TRP H A 32 LEU HBy 1.0 . 4.49 137 109 A 28 TYR HE% A 30 TRP HBx 1.0 . 3.80 138 110 A 33 TRP H A 33 TRP HBy 1.0 . 3.55 139 111 A 33 TRP H A 33 TRP HBx 1.0 . 3.55 140 112 A 33 TRP HE3 A 34 ASP HA 1.0 . 4.58 141 113 A 34 ASP HA A 33 TRP HZ2 1.0 . 5.50 142 114 A 35 LYS HA A 34 ASP HBx 1.0 . 5.27 143 114 A 34 ASP HBy A 35 LYS HA 1.0 . 5.27 144 115 A 36 TRP H A 35 LYS HBx 1.0 . 4.86 145 116 A 36 TRP HD1 A 35 LYS HDx 1.0 . 5.23 146 117 A 36 TRP HD1 A 35 LYS HDy 1.0 . 5.23 147 118 A 35 LYS HGy A 34 ASP HBx 1.0 . 5.50 148 118 A 34 ASP HBy A 35 LYS HGy 1.0 . 5.50 149 119 A 34 ASP HBx A 35 LYS HGx 1.0 . 5.50 150 119 A 34 ASP HBy A 35 LYS HGx 1.0 . 5.50 151 120 A 35 LYS H A 34 ASP HBx 1.0 . 4.60 152 120 A 34 ASP HBy A 35 LYS H 1.0 . 4.60 153 121 A 32 LEU HG A 35 LYS HGy 1.0 . 5.50 154 122 A 32 LEU HG A 35 LYS HGx 1.0 . 5.50 155 123 A 18 ASN HA A 19 CYS HA 1.0 . 5.41 156 124 A 18 ASN HA A 21 TRP HH2 1.0 . 5.39 157 125 A 18 ASN HA A 21 TRP HZ2 1.0 . 4.95 158 126 A 30 TRP HZ2 A 23 LYS HEx 1.0 . 5.38 159 126 A 23 LYS HEy A 30 TRP HZ2 1.0 . 5.38 160 127 A 28 TYR HD% A 30 TRP H 1.0 . 4.41 161 128 A 25 HIS HD2 A 21 TRP HE1 1.0 . 4.65 162 129 A 25 HIS HE1 A 21 TRP HZ2 1.0 . 4.65 163 130 A 28 TYR HD% A 24 SER HA 1.0 . 4.80 164 131 A 30 TRP HA A 30 TRP HE3 1.0 . 3.99 165 132 A 30 TRP HE3 A 23 LYS HEx 1.0 . 5.50 166 132 A 23 LYS HEy A 30 TRP HE3 1.0 . 5.50 167 133 A 25 HIS HD2 A 27 LYS HBx 1.0 . 5.50 168 134 A 25 HIS HD2 A 27 LYS HBy 1.0 . 5.50 169 135 A 30 TRP HA A 30 TRP HD1 1.0 . 3.85 170 136 A 30 TRP HBx A 30 TRP HD1 1.0 . 3.46 171 137 A 21 TRP HZ2 A 27 LYS HEx 1.0 . 4.21 172 137 A 27 LYS HEy A 21 TRP HZ2 1.0 . 4.21 173 138 A 28 TYR H A 25 HIS HD2 1.0 . 3.38 174 139 A 21 TRP HZ2 A 18 ASN HD2y 1.0 . 4.68 175 140 A 21 TRP HZ2 A 18 ASN HD2x 1.0 . 4.68 176 141 A 21 TRP HH2 A 27 LYS HEx 1.0 . 5.50 177 141 A 27 LYS HEy A 21 TRP HH2 1.0 . 5.50 178 142 A 28 TYR HD% A 33 TRP H 1.0 . 4.89 179 143 A 28 TYR HE% A 30 TRP H 1.0 . 4.48 180 144 A 30 TRP HZ2 A 23 LYS HDx 1.0 . 4.65 181 144 A 30 TRP HZ2 A 23 LYS HDy 1.0 . 4.65 182 145 A 23 LYS HA A 28 TYR HE% 1.0 . 4.33 183 146 A 28 TYR HE% A 30 TRP HE3 1.0 . 5.36 184 147 A 21 TRP HD1 A 18 ASN HBx 1.0 . 5.47 185 148 A 21 TRP HD1 A 18 ASN HBy 1.0 . 5.47 186 149 A 30 TRP HZ3 A 23 LYS HDx 1.0 . 5.42 187 149 A 30 TRP HZ3 A 23 LYS HDy 1.0 . 5.42 188 150 A 30 TRP HZ3 A 23 LYS HEx 1.0 . 5.50 189 150 A 30 TRP HZ3 A 23 LYS HEy 1.0 . 5.50 190 151 A 30 TRP HZ3 A 30 TRP HBy 1.0 . 5.40 191 152 A 30 TRP HD1 A 23 LYS HEx 1.0 . 5.15 192 152 A 23 LYS HEy A 30 TRP HD1 1.0 . 5.15 193 153 A 30 TRP HD1 A 23 LYS HDx 1.0 . 5.17 194 153 A 30 TRP HD1 A 23 LYS HDy 1.0 . 5.17 195 154 A 30 TRP HH2 A 23 LYS HEx 1.0 . 5.42 196 154 A 23 LYS HEy A 30 TRP HH2 1.0 . 5.42 197 155 A 20 ASP H A 21 TRP HD1 1.0 . 5.50 198 156 A 22 ASP H A 21 TRP HD1 1.0 . 4.16 199 157 A 21 TRP HD1 A 25 HIS HBx 1.0 . 5.50 200 158 A 21 TRP HD1 A 25 HIS HD2 1.0 . 3.95 201 159 A 25 HIS HD2 A 25 HIS HBy 1.0 . 3.82 202 160 A 25 HIS HD2 A 26 GLU H 1.0 . 4.89 203 161 A 27 LYS H A 25 HIS HD2 1.0 . 5.38 204 162 A 25 HIS HD2 A 27 LYS HGx 1.0 . 5.50 205 162 A 25 HIS HD2 A 27 LYS HGy 1.0 . 5.50 206 163 A 25 HIS HE1 A 25 HIS HBy 1.0 . 5.31 207 164 A 25 HIS HE1 A 25 HIS HBx 1.0 . 5.31 208 165 A 25 HIS HE1 A 21 TRP HH2 1.0 . 4.40 209 166 A 25 HIS HE1 A 27 LYS H 1.0 . 3.89 210 167 A 28 TYR HD% A 23 LYS HA 1.0 . 3.64 211 168 A 28 TYR HD% A 28 TYR HA 1.0 . 3.16 212 169 A 23 LYS H A 28 TYR HE% 1.0 . 3.98 213 170 A 28 TYR HE% A 30 TRP HA 1.0 . 3.63 214 171 A 28 TYR HE% A 30 TRP HD1 1.0 . 4.21 215 172 A 30 TRP HE3 A 30 TRP H 1.0 . 5.10 216 173 A 30 TRP HE3 A 23 LYS HDx 1.0 . 5.34 217 173 A 30 TRP HE3 A 23 LYS HDy 1.0 . 5.34 218 174 A 30 TRP HE3 A 33 TRP H 1.0 . 4.93 219 175 A 30 TRP HZ3 A 31 GLU HGx 1.0 . 4.55 220 175 A 30 TRP HZ3 A 31 GLU HGy 1.0 . 4.55 221 176 A 28 TYR HE% A 33 TRP HD1 1.0 . 4.25 222 177 A 33 TRP HA A 33 TRP HD1 1.0 . 4.66 223 178 A 33 TRP HA A 33 TRP HE3 1.0 . 4.37 224 179 A 33 TRP H A 33 TRP HE3 1.0 . 5.30 225 180 A 33 TRP HE3 A 34 ASP H 1.0 . 5.30 226 181 A 34 ASP HA A 33 TRP HH2 1.0 . 5.24 227 182 A 36 TRP HE3 A 27 LYS HBy 1.0 . 4.68 228 183 A 36 TRP HE3 A 36 TRP HA 1.0 . 4.57 229 184 A 36 TRP HH2 A 27 LYS HBx 1.0 . 5.38 230 185 A 36 TRP HH2 A 27 LYS HDx 1.0 . 3.93 231 185 A 36 TRP HH2 A 27 LYS HDy 1.0 . 3.93 232 186 A 36 TRP HZ3 A 28 TYR HA 1.0 . 4.29 233 187 A 28 TYR HE% A 33 TRP H 1.0 . 5.24 234 188 A 36 TRP HE3 A 21 TRP HE1 1.0 . 5.50 235 189 A 20 ASP H A 18 ASN HA 1.0 . 4.86 236 190 A 20 ASP H A 18 ASN HBy 1.0 . 5.37 237 191 A 20 ASP H A 18 ASN HBx 1.0 . 5.37 238 192 A 21 TRP H A 18 ASN HBy 1.0 . 5.50 239 193 A 21 TRP H A 18 ASN HBx 1.0 . 5.50 240 194 A 28 TYR H A 27 LYS HBy 1.0 . 4.17 241 195 A 21 TRP HE1 A 21 TRP H 1.0 . 5.50 242 196 A 20 ASP H A 21 TRP HZ2 1.0 . 5.50 243 197 A 36 TRP HD1 A 34 ASP H 1.0 . 5.38 244 198 A 29 ASP H A 32 LEU HBy 1.0 . 5.50 245 199 A 30 TRP HA A 29 ASP H 1.0 . 5.46 246 200 A 28 TYR HA A 29 ASP H 1.0 . 3.45 247 201 A 33 TRP H A 29 ASP H 1.0 . 5.50 248 202 A 28 TYR HE% A 29 ASP H 1.0 . 5.15 249 203 A 28 TYR HD% A 29 ASP H 1.0 . 3.57 250 204 A 22 ASP HA A 25 HIS H 1.0 . 4.02 251 205 A 33 TRP HE1 A 37 CYS HBy 1.0 . 5.02 252 206 A 33 TRP HE1 A 37 CYS HBx 1.0 . 5.02 253 207 A 28 TYR HE% A 30 TRP HE1 1.0 . 5.45 254 208 A 30 TRP HE1 A 23 LYS HDx 1.0 . 5.32 255 208 A 23 LYS HDy A 30 TRP HE1 1.0 . 5.32 256 209 A 28 TYR H A 27 LYS HGx 1.0 . 4.47 257 209 A 28 TYR H A 27 LYS HGy 1.0 . 4.47 258 210 A 32 LEU HG A 36 TRP HE1 1.0 . 5.03 259 211 A 32 LEU H A 31 GLU H 1.0 . 4.16 260 212 A 28 TYR HD% A 28 TYR H 1.0 . 3.38 261 213 A 24 SER H A 28 TYR H 1.0 . 5.21 262 214 A 21 TRP HE1 A 18 ASN HD2y 1.0 . 3.78 263 215 A 19 CYS H A 18 ASN HBx 1.0 . 5.50 264 216 A 19 CYS H A 18 ASN HBy 1.0 . 5.50 265 217 A 20 ASP H A 19 CYS H 1.0 . 4.83 266 218 A 20 ASP H A 20 ASP HBx 1.0 . 4.15 267 219 A 20 ASP H A 21 TRP H 1.0 . 3.86 268 220 A 21 TRP HD1 A 21 TRP H 1.0 . 4.27 269 221 A 21 TRP H A 19 CYS H 1.0 . 5.13 270 222 A 18 ASN HA A 21 TRP HE1 1.0 . 5.28 271 223 A 21 TRP HE1 A 18 ASN HBx 1.0 . 4.24 272 224 A 21 TRP HE1 A 18 ASN HBy 1.0 . 4.24 273 225 A 21 TRP HE1 A 18 ASN HD2x 1.0 . 3.78 274 226 A 21 TRP HE1 A 19 CYS H 1.0 . 4.97 275 227 A 22 ASP H A 21 TRP H 1.0 . 4.71 276 228 A 22 ASP H A 21 TRP HA 1.0 . 3.56 277 229 A 22 ASP H A 23 LYS H 1.0 . 4.67 278 230 A 22 ASP H A 25 HIS H 1.0 . 4.18 279 231 A 23 LYS H A 22 ASP HBy 1.0 . 3.60 280 232 A 23 LYS H A 25 HIS H 1.0 . 4.72 281 233 A 28 TYR HD% A 23 LYS H 1.0 . 4.64 282 234 A 22 ASP H A 24 SER H 1.0 . 4.89 283 235 A 23 LYS H A 24 SER H 1.0 . 3.55 284 236 A 25 HIS H A 24 SER H 1.0 . 3.02 285 237 A 28 TYR HD% A 24 SER H 1.0 . 4.72 286 238 A 24 SER H A 28 TYR HE% 1.0 . 5.23 287 239 A 25 HIS H A 25 HIS HBy 1.0 . 2.93 288 240 A 28 TYR HD% A 25 HIS H 1.0 . 3.70 289 241 A 25 HIS HA A 26 GLU H 1.0 . 2.64 290 242 A 25 HIS HE1 A 26 GLU H 1.0 . 4.80 291 243 A 27 LYS H A 26 GLU H 1.0 . 3.68 292 244 A 26 GLU H A 27 LYS HGx 1.0 . 4.54 293 244 A 27 LYS HGy A 26 GLU H 1.0 . 4.54 294 245 A 28 TYR H A 26 GLU H 1.0 . 4.32 295 246 A 25 HIS H A 27 LYS H 1.0 . 5.50 296 247 A 28 TYR HD% A 27 LYS H 1.0 . 5.50 297 248 A 25 HIS HA A 27 LYS H 1.0 . 4.39 298 249 A 27 LYS H A 26 GLU HGx 1.0 . 4.71 299 250 A 27 LYS H A 26 GLU HGy 1.0 . 4.71 300 251 A 27 LYS H A 27 LYS HEx 1.0 . 5.21 301 251 A 27 LYS HEy A 27 LYS H 1.0 . 5.21 302 252 A 27 LYS H A 27 LYS HGx 1.0 . 4.43 303 252 A 27 LYS H A 27 LYS HGy 1.0 . 4.43 304 253 A 27 LYS H A 28 TYR HA 1.0 . 5.50 305 254 A 27 LYS H A 28 TYR HBy 1.0 . 5.50 306 255 A 25 HIS H A 28 TYR H 1.0 . 4.00 307 256 A 27 LYS H A 28 TYR H 1.0 . 3.16 308 257 A 28 TYR H A 27 LYS HBx 1.0 . 4.17 309 258 A 30 TRP HD1 A 30 TRP H 1.0 . 5.06 310 259 A 30 TRP H A 31 GLU H 1.0 . 4.69 311 260 A 30 TRP HBx A 30 TRP HE1 1.0 . 4.73 312 261 A 29 ASP HA A 31 GLU H 1.0 . 5.50 313 262 A 30 TRP HBy A 31 GLU H 1.0 . 4.08 314 263 A 30 TRP HZ3 A 31 GLU H 1.0 . 5.50 315 264 A 31 GLU H A 31 GLU HBx 1.0 . 4.02 316 264 A 31 GLU H A 31 GLU HBy 1.0 . 4.02 317 265 A 31 GLU H A 31 GLU HGx 1.0 . 4.02 318 265 A 31 GLU HGy A 31 GLU H 1.0 . 4.02 319 266 A 31 GLU H A 32 LEU HA 1.0 . 5.50 320 267 A 33 TRP H A 31 GLU H 1.0 . 4.66 321 268 A 32 LEU H A 29 ASP HBy 1.0 . 5.28 322 269 A 32 LEU H A 30 TRP HA 1.0 . 5.50 323 270 A 32 LEU H A 31 GLU HBx 1.0 . 4.67 324 270 A 32 LEU H A 31 GLU HBy 1.0 . 4.67 325 271 A 32 LEU H A 33 TRP H 1.0 . 3.94 326 272 A 30 TRP HA A 33 TRP H 1.0 . 4.23 327 273 A 33 TRP H A 31 GLU HBx 1.0 . 5.50 328 273 A 33 TRP H A 31 GLU HBy 1.0 . 5.50 329 274 A 35 LYS H A 35 LYS HGy 1.0 . 5.39 330 275 A 35 LYS H A 35 LYS HBx 1.0 . 3.92 331 276 A 35 LYS H A 35 LYS HBy 1.0 . 3.92 332 277 A 35 LYS H A 35 LYS HGx 1.0 . 5.39 333 278 A 35 LYS H A 36 TRP HA 1.0 . 5.50 334 279 A 33 TRP H A 36 TRP H 1.0 . 5.50 335 280 A 36 TRP H A 34 ASP H 1.0 . 5.50 336 281 A 34 ASP HA A 36 TRP H 1.0 . 5.50 337 282 A 32 LEU HG A 36 TRP H 1.0 . 4.86 338 283 A 36 TRP H A 35 LYS HBy 1.0 . 4.86 339 284 A 36 TRP H A 35 LYS HGy 1.0 . 5.50 340 285 A 36 TRP H A 35 LYS HGx 1.0 . 5.50 341 286 A 36 TRP H A 35 LYS H 1.0 . 4.27 342 287 A 36 TRP H A 37 CYS H 1.0 . 4.03 343 288 A 34 ASP H A 37 CYS H 1.0 . 5.50 344 289 A 35 LYS H A 37 CYS H 1.0 . 5.19 345 290 A 37 CYS H A 36 TRP HBx 1.0 . 4.82 346 290 A 37 CYS H A 36 TRP HBy 1.0 . 4.82 347 291 A 22 ASP HA A 24 SER H 1.0 . 4.13 348 292 A 29 ASP H A 32 LEU HBx 1.0 . 5.50 349 293 A 21 TRP H A 18 ASN HBy 1.0 . 4.77 350 293 A 21 TRP H A 18 ASN HBx 1.0 . 4.77 351 294 A 21 TRP HD1 A 18 ASN HBy 1.0 . 4.77 352 294 A 21 TRP HD1 A 18 ASN HBx 1.0 . 4.77 353 295 A 21 TRP HZ2 A 18 ASN HBy 1.0 . 4.24 354 295 A 21 TRP HZ2 A 18 ASN HBx 1.0 . 4.24 355 296 A 36 TRP HE3 A 18 ASN HBy 1.0 . 4.92 356 296 A 36 TRP HE3 A 18 ASN HBx 1.0 . 4.92 357 297 A 18 ASN HD2x A 20 ASP HBy 1.0 . 5.17 358 297 A 18 ASN HD2x A 20 ASP HBx 1.0 . 5.17 359 297 A 18 ASN HD2y A 20 ASP HBy 1.0 . 5.17 360 297 A 18 ASN HD2y A 20 ASP HBx 1.0 . 5.17 361 298 A 21 TRP HE1 A 18 ASN HD2x 1.0 . 3.28 362 298 A 21 TRP HE1 A 18 ASN HD2y 1.0 . 3.28 363 299 A 21 TRP HZ2 A 18 ASN HD2y 1.0 . 3.82 364 299 A 21 TRP HZ2 A 18 ASN HD2x 1.0 . 3.82 365 300 A 20 ASP H A 20 ASP HBx 1.0 . 3.61 366 300 A 20 ASP H A 20 ASP HBy 1.0 . 3.61 367 301 A 21 TRP HA A 25 HIS HBy 1.0 . 4.79 368 301 A 21 TRP HA A 25 HIS HBx 1.0 . 4.79 369 302 A 21 TRP HE1 A 21 TRP HBy 1.0 . 4.46 370 302 A 21 TRP HE1 A 21 TRP HBx 1.0 . 4.46 371 303 A 25 HIS H A 21 TRP HBy 1.0 . 3.55 372 303 A 25 HIS H A 21 TRP HBx 1.0 . 3.55 373 304 A 25 HIS HA A 21 TRP HBy 1.0 . 4.29 374 304 A 25 HIS HA A 21 TRP HBx 1.0 . 4.29 375 305 A 21 TRP HBx A 25 HIS HBy 1.0 . 3.59 376 305 A 21 TRP HBy A 25 HIS HBy 1.0 . 3.59 377 305 A 25 HIS HBx A 21 TRP HBy 1.0 . 3.59 378 305 A 25 HIS HBx A 21 TRP HBx 1.0 . 3.59 379 306 A 21 TRP HD1 A 22 ASP HBx 1.0 . 5.17 380 306 A 21 TRP HD1 A 22 ASP HBy 1.0 . 5.17 381 307 A 21 TRP HD1 A 25 HIS HBy 1.0 . 4.74 382 307 A 21 TRP HD1 A 25 HIS HBx 1.0 . 4.74 383 308 A 21 TRP HD1 A 28 TYR HBy 1.0 . 4.92 384 308 A 21 TRP HD1 A 28 TYR HBx 1.0 . 4.92 385 309 A 21 TRP HE1 A 27 LYS HBy 1.0 . 4.86 386 309 A 21 TRP HE1 A 27 LYS HBx 1.0 . 4.86 387 310 A 22 ASP H A 25 HIS HBy 1.0 . 4.69 388 310 A 22 ASP H A 25 HIS HBx 1.0 . 4.69 389 311 A 22 ASP HA A 23 LYS HBy 1.0 . 4.95 390 311 A 22 ASP HA A 23 LYS HBx 1.0 . 4.95 391 312 A 22 ASP HA A 25 HIS HBy 1.0 . 4.32 392 312 A 22 ASP HA A 25 HIS HBx 1.0 . 4.32 393 313 A 22 ASP HA A 28 TYR HBy 1.0 . 4.15 394 313 A 22 ASP HA A 28 TYR HBx 1.0 . 4.15 395 314 A 23 LYS H A 22 ASP HBx 1.0 . 3.06 396 314 A 23 LYS H A 22 ASP HBy 1.0 . 3.06 397 315 A 22 ASP HBy A 23 LYS HBy 1.0 . 4.46 398 315 A 22 ASP HBx A 23 LYS HBy 1.0 . 4.46 399 315 A 23 LYS HBx A 22 ASP HBx 1.0 . 4.46 400 315 A 22 ASP HBy A 23 LYS HBx 1.0 . 4.46 401 316 A 22 ASP HBy A 23 LYS HGx 1.0 . 4.15 402 316 A 22 ASP HBx A 23 LYS HGx 1.0 . 4.15 403 316 A 23 LYS HGy A 22 ASP HBx 1.0 . 4.15 404 316 A 22 ASP HBy A 23 LYS HGy 1.0 . 4.15 405 317 A 28 TYR HD% A 22 ASP HBx 1.0 . 4.42 406 317 A 28 TYR HD% A 22 ASP HBy 1.0 . 4.42 407 318 A 28 TYR HE% A 22 ASP HBx 1.0 . 5.34 408 318 A 28 TYR HE% A 22 ASP HBy 1.0 . 5.34 409 319 A 23 LYS H A 24 SER HBx 1.0 . 5.34 410 319 A 23 LYS H A 24 SER HBy 1.0 . 5.34 411 320 A 23 LYS H A 25 HIS HBy 1.0 . 5.17 412 320 A 23 LYS H A 25 HIS HBx 1.0 . 5.17 413 321 A 23 LYS HBy A 23 LYS HEx 1.0 . 4.27 414 321 A 23 LYS HBx A 23 LYS HEx 1.0 . 4.27 415 321 A 23 LYS HEy A 23 LYS HBy 1.0 . 4.27 416 321 A 23 LYS HEy A 23 LYS HBx 1.0 . 4.27 417 322 A 24 SER H A 23 LYS HBy 1.0 . 3.76 418 322 A 24 SER H A 23 LYS HBx 1.0 . 3.76 419 323 A 23 LYS HBx A 24 SER HBx 1.0 . 5.18 420 323 A 23 LYS HBy A 24 SER HBx 1.0 . 5.18 421 323 A 24 SER HBy A 23 LYS HBy 1.0 . 5.18 422 323 A 23 LYS HBx A 24 SER HBy 1.0 . 5.18 423 324 A 28 TYR HD% A 23 LYS HBy 1.0 . 4.65 424 324 A 28 TYR HD% A 23 LYS HBx 1.0 . 4.65 425 325 A 28 TYR HE% A 23 LYS HBy 1.0 . 4.18 426 325 A 28 TYR HE% A 23 LYS HBx 1.0 . 4.18 427 326 A 24 SER H A 23 LYS HGx 1.0 . 4.59 428 326 A 24 SER H A 23 LYS HGy 1.0 . 4.59 429 327 A 28 TYR HD% A 23 LYS HGx 1.0 . 4.16 430 327 A 28 TYR HD% A 23 LYS HGy 1.0 . 4.16 431 328 A 28 TYR HE% A 23 LYS HGx 1.0 . 4.02 432 328 A 28 TYR HE% A 23 LYS HGy 1.0 . 4.02 433 329 A 24 SER H A 24 SER HBx 1.0 . 3.22 434 329 A 24 SER H A 24 SER HBy 1.0 . 3.22 435 330 A 24 SER H A 25 HIS HBy 1.0 . 3.92 436 330 A 24 SER H A 25 HIS HBx 1.0 . 3.92 437 331 A 24 SER H A 28 TYR HBy 1.0 . 4.65 438 331 A 24 SER H A 28 TYR HBx 1.0 . 4.65 439 332 A 25 HIS HA A 24 SER HBx 1.0 . 4.52 440 332 A 25 HIS HA A 24 SER HBy 1.0 . 4.52 441 333 A 25 HIS H A 28 TYR HBy 1.0 . 5.34 442 333 A 25 HIS H A 28 TYR HBx 1.0 . 5.34 443 334 A 25 HIS HA A 28 TYR HBy 1.0 . 4.22 444 334 A 25 HIS HA A 28 TYR HBx 1.0 . 4.22 445 335 A 25 HIS HD2 A 25 HIS HBy 1.0 . 3.25 446 335 A 25 HIS HD2 A 25 HIS HBx 1.0 . 3.25 447 336 A 26 GLU H A 25 HIS HBy 1.0 . 3.90 448 336 A 26 GLU H A 25 HIS HBx 1.0 . 3.90 449 337 A 28 TYR HA A 25 HIS HBy 1.0 . 4.67 450 337 A 28 TYR HA A 25 HIS HBx 1.0 . 4.67 451 338 A 25 HIS HBy A 28 TYR HBy 1.0 . 3.67 452 338 A 25 HIS HBx A 28 TYR HBy 1.0 . 3.67 453 338 A 28 TYR HBx A 25 HIS HBy 1.0 . 3.67 454 338 A 25 HIS HBx A 28 TYR HBx 1.0 . 3.67 455 339 A 25 HIS HD2 A 26 GLU HGx 1.0 . 5.34 456 339 A 25 HIS HD2 A 26 GLU HGy 1.0 . 5.34 457 340 A 25 HIS HE1 A 26 GLU HBx 1.0 . 4.41 458 340 A 25 HIS HE1 A 26 GLU HBy 1.0 . 4.41 459 341 A 25 HIS HE1 A 26 GLU HGx 1.0 . 3.91 460 341 A 25 HIS HE1 A 26 GLU HGy 1.0 . 3.91 461 342 A 25 HIS HE1 A 27 LYS HBy 1.0 . 4.88 462 342 A 25 HIS HE1 A 27 LYS HBx 1.0 . 4.88 463 343 A 26 GLU H A 26 GLU HBx 1.0 . 3.06 464 343 A 26 GLU H A 26 GLU HBy 1.0 . 3.06 465 344 A 26 GLU H A 26 GLU HGx 1.0 . 3.22 466 344 A 26 GLU H A 26 GLU HGy 1.0 . 3.22 467 345 A 26 GLU H A 28 TYR HBy 1.0 . 4.90 468 345 A 26 GLU H A 28 TYR HBx 1.0 . 4.90 469 346 A 26 GLU HA A 26 GLU HGx 1.0 . 3.40 470 346 A 26 GLU HA A 26 GLU HGy 1.0 . 3.40 471 347 A 27 LYS HA A 26 GLU HBx 1.0 . 4.83 472 347 A 27 LYS HA A 26 GLU HBy 1.0 . 4.83 473 348 A 26 GLU HBy A 27 LYS HGx 1.0 . 4.00 474 348 A 26 GLU HBx A 27 LYS HGx 1.0 . 4.00 475 348 A 27 LYS HGy A 26 GLU HBx 1.0 . 4.00 476 348 A 27 LYS HGy A 26 GLU HBy 1.0 . 4.00 477 349 A 27 LYS H A 26 GLU HGx 1.0 . 4.14 478 349 A 27 LYS H A 26 GLU HGy 1.0 . 4.14 479 350 A 26 GLU HGy A 27 LYS HBy 1.0 . 4.02 480 350 A 26 GLU HGx A 27 LYS HBy 1.0 . 4.02 481 350 A 27 LYS HBx A 26 GLU HGx 1.0 . 4.02 482 350 A 27 LYS HBx A 26 GLU HGy 1.0 . 4.02 483 351 A 26 GLU HGy A 27 LYS HDx 1.0 . 4.77 484 351 A 26 GLU HGx A 27 LYS HDx 1.0 . 4.77 485 351 A 27 LYS HDy A 26 GLU HGx 1.0 . 4.77 486 351 A 27 LYS HDy A 26 GLU HGy 1.0 . 4.77 487 352 A 26 GLU HGy A 27 LYS HEx 1.0 . 4.15 488 352 A 27 LYS HEy A 26 GLU HGx 1.0 . 4.15 489 352 A 27 LYS HEy A 26 GLU HGy 1.0 . 4.15 490 352 A 26 GLU HGx A 27 LYS HEx 1.0 . 4.15 491 353 A 28 TYR H A 26 GLU HGx 1.0 . 4.61 492 353 A 28 TYR H A 26 GLU HGy 1.0 . 4.61 493 354 A 27 LYS HA A 28 TYR HBy 1.0 . 5.34 494 354 A 27 LYS HA A 28 TYR HBx 1.0 . 5.34 495 355 A 27 LYS HBy A 27 LYS HEx 1.0 . 4.03 496 355 A 27 LYS HBx A 27 LYS HEx 1.0 . 4.03 497 355 A 27 LYS HEy A 27 LYS HBy 1.0 . 4.03 498 355 A 27 LYS HEy A 27 LYS HBx 1.0 . 4.03 499 356 A 28 TYR H A 27 LYS HBy 1.0 . 3.64 500 356 A 28 TYR H A 27 LYS HBx 1.0 . 3.64 501 357 A 36 TRP HE3 A 27 LYS HBy 1.0 . 4.03 502 357 A 36 TRP HE3 A 27 LYS HBx 1.0 . 4.03 503 358 A 36 TRP HZ3 A 27 LYS HBy 1.0 . 4.51 504 358 A 36 TRP HZ3 A 27 LYS HBx 1.0 . 4.51 505 359 A 36 TRP HZ2 A 27 LYS HBy 1.0 . 4.57 506 359 A 36 TRP HZ2 A 27 LYS HBx 1.0 . 4.57 507 360 A 36 TRP HH2 A 27 LYS HBy 1.0 . 4.62 508 360 A 36 TRP HH2 A 27 LYS HBx 1.0 . 4.62 509 361 A 28 TYR HA A 29 ASP HBy 1.0 . 4.96 510 361 A 28 TYR HA A 29 ASP HBx 1.0 . 4.96 511 362 A 28 TYR HD% A 33 TRP HBx 1.0 . 4.45 512 362 A 28 TYR HD% A 33 TRP HBy 1.0 . 4.45 513 363 A 28 TYR HE% A 33 TRP HBx 1.0 . 4.94 514 363 A 28 TYR HE% A 33 TRP HBy 1.0 . 4.94 515 364 A 29 ASP H A 32 LEU HBx 1.0 . 4.64 516 364 A 29 ASP H A 32 LEU HBy 1.0 . 4.64 517 365 A 29 ASP HA A 32 LEU HBx 1.0 . 4.88 518 365 A 29 ASP HA A 32 LEU HBy 1.0 . 4.88 519 366 A 31 GLU H A 29 ASP HBy 1.0 . 5.34 520 366 A 31 GLU H A 29 ASP HBx 1.0 . 5.34 521 367 A 32 LEU H A 29 ASP HBy 1.0 . 4.63 522 367 A 32 LEU H A 29 ASP HBx 1.0 . 4.63 523 368 A 29 ASP HBy A 32 LEU HBx 1.0 . 4.02 524 368 A 29 ASP HBx A 32 LEU HBx 1.0 . 4.02 525 368 A 32 LEU HBy A 29 ASP HBy 1.0 . 4.02 526 368 A 29 ASP HBx A 32 LEU HBy 1.0 . 4.02 527 369 A 29 ASP HBx A 32 LEU HDy% 1.0 . 4.32 528 369 A 32 LEU HDx% A 29 ASP HBy 1.0 . 4.32 529 369 A 29 ASP HBx A 32 LEU HDx% 1.0 . 4.32 530 369 A 29 ASP HBy A 32 LEU HDy% 1.0 . 4.32 531 370 A 29 ASP HBx A 35 LYS HGx 1.0 . 4.74 532 370 A 29 ASP HBy A 35 LYS HGx 1.0 . 4.74 533 370 A 35 LYS HGy A 29 ASP HBy 1.0 . 4.74 534 370 A 29 ASP HBx A 35 LYS HGy 1.0 . 4.74 535 371 A 30 TRP HA A 33 TRP HBx 1.0 . 3.86 536 371 A 30 TRP HA A 33 TRP HBy 1.0 . 3.86 537 372 A 31 GLU H A 32 LEU HBx 1.0 . 5.34 538 372 A 31 GLU H A 32 LEU HBy 1.0 . 5.34 539 373 A 32 LEU H A 32 LEU HDy% 1.0 . 5.17 540 373 A 32 LEU H A 32 LEU HDx% 1.0 . 5.17 541 374 A 32 LEU H A 33 TRP HBx 1.0 . 5.29 542 374 A 32 LEU H A 33 TRP HBy 1.0 . 5.29 543 375 A 32 LEU HA A 32 LEU HDy% 1.0 . 3.83 544 375 A 32 LEU HA A 32 LEU HDx% 1.0 . 3.83 545 376 A 33 TRP H A 32 LEU HBx 1.0 . 3.84 546 376 A 33 TRP H A 32 LEU HBy 1.0 . 3.84 547 377 A 32 LEU HBy A 33 TRP HBx 1.0 . 5.18 548 377 A 32 LEU HBx A 33 TRP HBx 1.0 . 5.18 549 377 A 33 TRP HBy A 32 LEU HBx 1.0 . 5.18 550 377 A 33 TRP HBy A 32 LEU HBy 1.0 . 5.18 551 378 A 36 TRP HD1 A 32 LEU HBx 1.0 . 5.09 552 378 A 36 TRP HD1 A 32 LEU HBy 1.0 . 5.09 553 379 A 35 LYS H A 32 LEU HDy% 1.0 . 5.31 554 379 A 35 LYS H A 32 LEU HDx% 1.0 . 5.31 555 380 A 32 LEU HDy% A 35 LYS HGx 1.0 . 3.86 556 380 A 32 LEU HDx% A 35 LYS HGx 1.0 . 3.86 557 380 A 35 LYS HGy A 32 LEU HDy% 1.0 . 3.86 558 380 A 32 LEU HDx% A 35 LYS HGy 1.0 . 3.86 559 381 A 32 LEU HDy% A 35 LYS HDy 1.0 . 4.04 560 381 A 32 LEU HDx% A 35 LYS HDy 1.0 . 4.04 561 381 A 35 LYS HDx A 32 LEU HDy% 1.0 . 4.04 562 381 A 32 LEU HDx% A 35 LYS HDx 1.0 . 4.04 563 382 A 32 LEU HDx% A 35 LYS HEy 1.0 . 4.86 564 382 A 32 LEU HDy% A 35 LYS HEy 1.0 . 4.86 565 382 A 35 LYS HEx A 32 LEU HDy% 1.0 . 4.86 566 382 A 32 LEU HDx% A 35 LYS HEx 1.0 . 4.86 567 383 A 36 TRP H A 32 LEU HDy% 1.0 . 5.44 568 383 A 36 TRP H A 32 LEU HDx% 1.0 . 5.44 569 384 A 36 TRP HD1 A 32 LEU HDy% 1.0 . 4.10 570 384 A 36 TRP HD1 A 32 LEU HDx% 1.0 . 4.10 571 385 A 36 TRP HE1 A 32 LEU HDy% 1.0 . 4.29 572 385 A 36 TRP HE1 A 32 LEU HDx% 1.0 . 4.29 573 386 A 36 TRP HZ2 A 32 LEU HDy% 1.0 . 5.17 574 386 A 36 TRP HZ2 A 32 LEU HDx% 1.0 . 5.17 575 387 A 34 ASP H A 33 TRP HBx 1.0 . 4.10 576 387 A 34 ASP H A 33 TRP HBy 1.0 . 4.10 577 388 A 34 ASP HBx A 35 LYS HBy 1.0 . 4.66 578 388 A 34 ASP HBy A 35 LYS HBy 1.0 . 4.66 579 388 A 35 LYS HBx A 34 ASP HBx 1.0 . 4.66 580 388 A 34 ASP HBy A 35 LYS HBx 1.0 . 4.66 581 389 A 34 ASP HBx A 35 LYS HGx 1.0 . 4.70 582 389 A 35 LYS HGy A 34 ASP HBx 1.0 . 4.70 583 389 A 34 ASP HBy A 35 LYS HGy 1.0 . 4.70 584 389 A 34 ASP HBy A 35 LYS HGx 1.0 . 4.70 585 390 A 35 LYS H A 35 LYS HGx 1.0 . 4.67 586 390 A 35 LYS H A 35 LYS HGy 1.0 . 4.67 587 391 A 35 LYS HBx A 35 LYS HDy 1.0 . 3.12 588 391 A 35 LYS HBy A 35 LYS HDy 1.0 . 3.12 589 391 A 35 LYS HDx A 35 LYS HBy 1.0 . 3.12 590 391 A 35 LYS HDx A 35 LYS HBx 1.0 . 3.12 591 392 A 36 TRP H A 35 LYS HBy 1.0 . 4.21 592 392 A 36 TRP H A 35 LYS HBx 1.0 . 4.21 593 393 A 36 TRP HD1 A 35 LYS HBy 1.0 . 4.61 594 393 A 36 TRP HD1 A 35 LYS HBx 1.0 . 4.61 595 394 A 36 TRP HE1 A 35 LYS HGx 1.0 . 5.34 596 394 A 36 TRP HE1 A 35 LYS HGy 1.0 . 5.34 597 395 A 37 CYS H A 35 LYS HGx 1.0 . 5.34 598 395 A 37 CYS H A 35 LYS HGy 1.0 . 5.34 599 396 A 36 TRP HE1 A 35 LYS HDy 1.0 . 4.45 600 396 A 36 TRP HE1 A 35 LYS HDx 1.0 . 4.45 601 397 A 36 TRP H A 35 LYS HEy 1.0 . 5.34 602 397 A 36 TRP H A 35 LYS HEx 1.0 . 5.34 603 398 A 36 TRP HD1 A 35 LYS HEy 1.0 . 5.09 604 398 A 36 TRP HD1 A 35 LYS HEx 1.0 . 5.09 605 399 A 36 TRP HZ2 A 35 LYS HEy 1.0 . 4.86 606 399 A 36 TRP HZ2 A 35 LYS HEx 1.0 . 4.86 607 400 A 37 CYS H A 35 LYS HEy 1.0 . 5.34 608 400 A 37 CYS H A 35 LYS HEx 1.0 . 5.34 stop_ save_