data_nef_c36070_5xe4 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 36071 PDB 5XE4 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ALA start . . 2 A 2 GLU middle . . 3 A 3 GLN middle . . 4 A 4 SER middle . . 5 A 5 ASP middle . . 6 A 6 LYS middle . . 7 A 7 ASP middle . . 8 A 8 VAL middle . . 9 A 9 LYS middle . . 10 A 10 TYR middle . . 11 A 11 TYR middle . . 12 A 12 THR middle . . 13 A 13 LEU middle . . 14 A 14 GLU middle . . 15 A 15 GLU middle . . 16 A 16 ILE middle . . 17 A 17 GLN middle . . 18 A 18 LYS middle . . 19 A 19 HIS middle . . 20 A 20 LYS middle . . 21 A 21 ASP middle . . 22 A 22 SER middle . . 23 A 23 LYS middle . . 24 A 24 SER middle . . 25 A 25 THR middle . . 26 A 26 TRP middle . . 27 A 27 VAL middle . . 28 A 28 ILE middle . . 29 A 29 LEU middle . . 30 A 30 HIS middle . . 31 A 31 HIS middle . . 32 A 32 LYS middle . . 33 A 33 VAL middle . . 34 A 34 TYR middle . . 35 A 35 ASP middle . . 36 A 36 LEU middle . . 37 A 37 THR middle . . 38 A 38 LYS middle . . 39 A 39 PHE middle . . 40 A 40 LEU middle . . 41 A 41 GLU middle . . 42 A 42 GLU middle . . 43 A 43 TRP middle . . 44 A 44 PRO middle . false 45 A 45 GLY middle . false 46 A 46 GLY middle . false 47 A 47 GLU middle . . 48 A 48 GLU middle . . 49 A 49 VAL middle . . 50 A 50 LEU middle . . 51 A 51 ARG middle . . 52 A 52 GLU middle . . 53 A 53 GLN middle . . 54 A 54 ALA middle . . 55 A 55 GLY middle . false 56 A 56 GLY middle . false 57 A 57 ASP middle . . 58 A 58 ALA middle . . 59 A 59 THR middle . . 60 A 60 GLU middle . . 61 A 61 ASN middle . . 62 A 62 PHE middle . . 63 A 63 GLU middle . . 64 A 64 ASP middle . . 65 A 65 VAL middle . . 66 A 66 GLY middle . false 67 A 67 PHE middle . . 68 A 68 SER middle . . 69 A 69 THR middle . . 70 A 70 ASP middle . . 71 A 71 ALA middle . . 72 A 72 ARG middle . . 73 A 73 GLU middle . . 74 A 74 LEU middle . . 75 A 75 SER middle . . 76 A 76 LYS middle . . 77 A 77 LYS middle . . 78 A 78 TYR middle . . 79 A 79 ILE middle . . 80 A 80 ILE middle . . 81 A 81 GLY middle . false 82 A 82 GLU middle . . 83 A 83 LEU middle . . 84 A 84 HIS middle . . 85 A 85 PRO middle . false 86 A 86 ASP middle . . 87 A 87 ASP middle . . 88 A 88 ARG middle . . 89 A 89 SER middle . . 90 A 90 LYS middle . . 91 A 91 ILE middle . . 92 A 92 ALA middle . . 93 A 93 LYS middle . . 94 A 94 PRO middle . false 95 A 95 SER middle . . 96 A 96 GLU middle . . 97 A 97 THR middle . . 98 A 98 LEU end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 3 GLN H H 1 8.162 0.005 A 3 GLN HA H 1 4.308 0.004 A 3 GLN HG2 H 1 2.347 0.018 A 3 GLN CA C 13 55.912 0.046 A 3 GLN CB C 13 29.364 0.002 A 3 GLN CG C 13 33.697 . A 4 SER H H 1 8.564 0.011 A 4 SER HA H 1 4.515 0.018 A 4 SER HBx H 1 3.807 0.009 A 4 SER HBy H 1 3.925 0.001 A 4 SER HG H 1 4.922 0.024 A 4 SER CA C 13 58.317 0.047 A 4 SER CB C 13 63.899 0.065 A 4 SER N N 15 117.729 0.157 A 5 ASP H H 1 8.503 0.009 A 5 ASP HA H 1 4.559 0.019 A 5 ASP HBx H 1 2.551 . A 5 ASP HBy H 1 2.711 0.023 A 5 ASP CA C 13 54.289 0.082 A 5 ASP CB C 13 40.848 0.107 A 5 ASP N N 15 122.967 0.139 A 6 LYS H H 1 7.746 0.007 A 6 LYS HA H 1 3.792 0.005 A 6 LYS HBy H 1 1.895 0.023 A 6 LYS HBx H 1 1.526 . A 6 LYS HD2 H 1 1.666 . A 6 LYS HD3 H 1 1.666 . A 6 LYS HE2 H 1 3.243 . A 6 LYS HE3 H 1 3.243 . A 6 LYS HG2 H 1 0.873 . A 6 LYS HG3 H 1 0.873 . A 6 LYS HZ1 H 1 7.159 . A 6 LYS HZ2 H 1 7.159 . A 6 LYS HZ3 H 1 7.159 . A 6 LYS CA C 13 61.846 0.128 A 6 LYS CB C 13 32.928 . A 6 LYS N N 15 122.097 0.153 A 7 ASP H H 1 8.411 0.01 A 7 ASP HA H 1 4.178 0.015 A 7 ASP HB2 H 1 2.500 . A 7 ASP HB3 H 1 2.500 . A 7 ASP CA C 13 56.330 0.145 A 7 ASP N N 15 125.556 0.157 A 8 VAL H H 1 8.291 0.018 A 8 VAL HA H 1 3.711 0.021 A 8 VAL HB H 1 1.540 0.009 A 8 VAL HGx% H 1 0.667 . A 8 VAL HGy% H 1 0.312 0.013 A 8 VAL CA C 13 61.758 . A 8 VAL N N 15 114.106 0.138 A 9 LYS H H 1 8.547 0.012 A 9 LYS HA H 1 4.377 0.025 A 9 LYS HB2 H 1 1.778 0.002 A 9 LYS HB3 H 1 1.777 0.002 A 9 LYS HD2 H 1 1.675 0.021 A 9 LYS HD3 H 1 1.675 0.021 A 9 LYS HE2 H 1 2.936 . A 9 LYS HE3 H 1 2.936 . A 9 LYS HG2 H 1 1.410 . A 9 LYS HG3 H 1 1.410 . A 9 LYS CA C 13 56.165 0.156 A 9 LYS CB C 13 32.829 0.053 A 9 LYS CD C 13 28.875 . A 9 LYS CE C 13 41.995 . A 9 LYS CG C 13 24.561 . A 9 LYS N N 15 126.060 0.105 A 10 TYR H H 1 8.254 0.012 A 10 TYR HA H 1 4.566 0.023 A 10 TYR HB2 H 1 2.321 0.009 A 10 TYR HB3 H 1 2.789 0.019 A 10 TYR HDx H 1 6.935 0.014 A 10 TYR HDy H 1 6.935 0.014 A 10 TYR HEx H 1 6.696 . A 10 TYR HEy H 1 6.696 . A 10 TYR CA C 13 54.285 0.054 A 10 TYR CB C 13 41.139 0.13 A 10 TYR N N 15 121.231 0.164 A 11 TYR H H 1 8.802 0.006 A 11 TYR HA H 1 5.236 0.02 A 11 TYR HBy H 1 3.163 0.017 A 11 TYR HBx H 1 2.506 0.018 A 11 TYR HDx H 1 6.942 0.018 A 11 TYR HDy H 1 6.942 0.018 A 11 TYR HEx H 1 6.584 0.02 A 11 TYR HEy H 1 6.584 0.02 A 11 TYR CA C 13 56.727 0.032 A 11 TYR CB C 13 42.695 0.039 A 11 TYR N N 15 118.803 0.129 A 12 THR H H 1 9.489 0.015 A 12 THR HA H 1 4.659 0.01 A 12 THR HB H 1 4.084 0.03 A 12 THR HG1 H 1 4.917 0.027 A 12 THR HG2% H 1 1.240 0.021 A 12 THR CA C 13 60.549 0.072 A 12 THR CB C 13 70.422 0.092 A 12 THR CG2 C 13 22.425 . A 12 THR N N 15 115.754 0.101 A 13 LEU H H 1 9.790 0.007 A 13 LEU HA H 1 3.011 0.004 A 13 LEU HB2 H 1 1.687 0.022 A 13 LEU HB3 H 1 1.687 0.022 A 13 LEU HD1% H 1 0.942 0.017 A 13 LEU HD2% H 1 0.978 0.019 A 13 LEU HG H 1 1.775 . A 13 LEU CA C 13 58.215 0.097 A 13 LEU CB C 13 41.790 0.054 A 13 LEU CD2 C 13 24.971 . A 13 LEU N N 15 123.647 0.14 A 14 GLU H H 1 8.492 0.014 A 14 GLU HA H 1 4.033 0.007 A 14 GLU HB2 H 1 2.074 0.022 A 14 GLU HB3 H 1 2.074 0.022 A 14 GLU HG2 H 1 2.245 . A 14 GLU HG3 H 1 2.245 . A 14 GLU CA C 13 59.536 0.043 A 14 GLU CB C 13 29.448 0.06 A 14 GLU CG C 13 36.302 . A 14 GLU N N 15 117.595 0.159 A 15 GLU H H 1 7.836 0.008 A 15 GLU HA H 1 4.138 0.023 A 15 GLU HB2 H 1 2.074 0.022 A 15 GLU HB3 H 1 2.074 0.022 A 15 GLU HG2 H 1 2.212 0.009 A 15 GLU HG3 H 1 2.212 0.009 A 15 GLU CA C 13 59.374 0.065 A 15 GLU CB C 13 29.809 0.136 A 15 GLU CG C 13 36.741 . A 15 GLU N N 15 119.475 0.183 A 16 ILE H H 1 8.557 0.014 A 16 ILE HA H 1 4.811 0.002 A 16 ILE HB H 1 2.105 0.011 A 16 ILE HD1% H 1 0.915 0.014 A 16 ILE HG12 H 1 1.382 0.024 A 16 ILE HG13 H 1 1.374 0.023 A 16 ILE CA C 13 65.373 0.04 A 16 ILE N N 15 121.802 0.184 A 17 GLN H H 1 8.168 0.006 A 17 GLN HA H 1 4.903 . A 17 GLN HG2 H 1 2.381 . A 17 GLN HG3 H 1 2.381 . A 18 LYS HA H 1 4.541 0.01 A 18 LYS HB2 H 1 1.769 0.005 A 18 LYS HB3 H 1 1.769 0.005 A 18 LYS HD2 H 1 1.508 . A 18 LYS HD3 H 1 1.508 . A 18 LYS HE2 H 1 2.655 . A 18 LYS HE3 H 1 2.655 . A 18 LYS HG2 H 1 0.916 . A 18 LYS HG3 H 1 0.916 . A 18 LYS CA C 13 54.451 0.077 A 19 HIS H H 1 8.182 0.008 A 19 HIS HA H 1 4.283 0.023 A 19 HIS HB2 H 1 2.705 0.017 A 19 HIS HB3 H 1 2.705 0.017 A 19 HIS HD1 H 1 5.825 . A 19 HIS HE1 H 1 7.777 0.001 A 19 HIS CA C 13 56.286 0.124 A 19 HIS CB C 13 32.922 0.174 A 19 HIS N N 15 120.712 0.14 A 20 LYS H H 1 8.603 0.015 A 20 LYS HA H 1 3.930 0.021 A 20 LYS HB2 H 1 1.946 0.02 A 20 LYS HB3 H 1 1.946 0.02 A 20 LYS HD2 H 1 1.680 0.011 A 20 LYS HD3 H 1 1.680 0.011 A 20 LYS HG2 H 1 1.429 0.013 A 20 LYS HG3 H 1 1.429 0.013 A 20 LYS CA C 13 54.113 0.088 A 20 LYS CB C 13 33.305 0.099 A 20 LYS N N 15 122.250 0.16 A 21 ASP H H 1 8.080 0.007 A 21 ASP HA H 1 4.898 0.017 A 21 ASP HB2 H 1 2.657 0.017 A 21 ASP HB3 H 1 2.657 0.017 A 21 ASP CA C 13 52.802 0.041 A 21 ASP CB C 13 43.182 0.039 A 21 ASP N N 15 120.377 0.174 A 22 SER H H 1 8.441 0.008 A 22 SER HA H 1 3.974 0.024 A 22 SER HB2 H 1 4.054 . A 22 SER HG H 1 5.502 . A 22 SER CA C 13 60.844 0.036 A 22 SER CB C 13 62.669 . A 22 SER N N 15 114.158 0.225 A 23 LYS H H 1 8.130 0.013 A 23 LYS HA H 1 4.190 0.02 A 23 LYS HBx H 1 1.794 0.007 A 23 LYS HBy H 1 1.990 0.001 A 23 LYS HDy H 1 1.970 0.024 A 23 LYS HDx H 1 1.721 0.007 A 23 LYS HE2 H 1 2.954 0.025 A 23 LYS HE3 H 1 2.954 0.025 A 23 LYS HG2 H 1 1.454 0.014 A 23 LYS HG3 H 1 1.454 0.014 A 23 LYS HZ1 H 1 7.017 0.024 A 23 LYS HZ2 H 1 7.017 0.024 A 23 LYS HZ3 H 1 7.017 0.024 A 23 LYS CA C 13 57.552 0.079 A 23 LYS CB C 13 32.103 0.122 A 23 LYS CD C 13 28.738 . A 23 LYS CE C 13 42.342 . A 23 LYS CG C 13 25.083 . A 23 LYS N N 15 121.345 0.126 A 24 SER H H 1 7.627 0.013 A 24 SER HA H 1 4.831 0.023 A 24 SER HB2 H 1 3.927 0.017 A 24 SER HB3 H 1 3.927 0.017 A 24 SER CA C 13 57.719 0.035 A 24 SER CB C 13 62.452 0.038 A 24 SER N N 15 114.009 0.112 A 25 THR H H 1 9.373 0.01 A 25 THR HA H 1 4.837 0.021 A 25 THR HB H 1 3.917 0.02 A 25 THR HG1 H 1 4.416 0.009 A 25 THR HG2% H 1 1.167 0.012 A 25 THR CA C 13 61.835 0.026 A 25 THR CB C 13 71.214 0.036 A 25 THR CG2 C 13 22.404 . A 25 THR N N 15 125.280 0.196 A 26 TRP H H 1 8.963 0.015 A 26 TRP HA H 1 6.185 0.012 A 26 TRP HBx H 1 2.922 0.015 A 26 TRP HBy H 1 3.276 0.015 A 26 TRP HD1 H 1 6.937 0.022 A 26 TRP HE3 H 1 6.670 . A 26 TRP CA C 13 52.457 0.113 A 26 TRP CB C 13 32.464 0.013 A 26 TRP N N 15 127.459 0.118 A 27 VAL H H 1 8.940 0.012 A 27 VAL HA H 1 4.861 0.018 A 27 VAL HB H 1 2.088 0.028 A 27 VAL HG2% H 1 0.836 0.022 A 27 VAL CA C 13 59.294 0.049 A 27 VAL CGx C 13 20.450 . A 27 VAL CGy C 13 22.415 . A 27 VAL N N 15 115.022 0.136 A 28 ILE H H 1 8.740 0.017 A 28 ILE HA H 1 5.291 0.023 A 28 ILE HB H 1 1.819 0.015 A 28 ILE HD1% H 1 0.985 . A 28 ILE HG2% H 1 0.927 0.019 A 28 ILE CA C 13 59.870 0.221 A 28 ILE N N 15 122.956 0.128 A 29 LEU H H 1 9.284 0.012 A 29 LEU HA H 1 4.690 0.02 A 29 LEU HB2 H 1 1.749 0.016 A 29 LEU HB3 H 1 1.749 0.016 A 29 LEU HD1% H 1 0.940 . A 29 LEU HD2% H 1 0.929 0.021 A 29 LEU HG H 1 1.577 0.002 A 29 LEU CA C 13 53.892 0.003 A 29 LEU N N 15 128.155 0.14 A 30 HIS H H 1 9.333 0.015 A 30 HIS HA H 1 3.931 0.022 A 30 HIS HBx H 1 2.288 0.014 A 30 HIS HBy H 1 3.291 . A 30 HIS HD1 H 1 6.697 0.027 A 30 HIS HD2 H 1 6.916 0.004 A 30 HIS HE1 H 1 7.834 . A 30 HIS CA C 13 56.594 0.209 A 30 HIS CB C 13 30.270 . A 30 HIS N N 15 126.010 0.18 A 31 HIS H H 1 8.380 0.011 A 31 HIS HA H 1 4.043 0.019 A 31 HIS HBy H 1 2.980 0.01 A 31 HIS HBx H 1 2.540 0.013 A 31 HIS HD1 H 1 5.802 . A 31 HIS CA C 13 57.655 0.059 A 31 HIS CB C 13 28.001 0.024 A 31 HIS N N 15 116.740 0.139 A 32 LYS H H 1 7.325 0.011 A 32 LYS HA H 1 4.160 0.022 A 32 LYS HB2 H 1 1.752 0.025 A 32 LYS HB3 H 1 1.756 0.018 A 32 LYS HD2 H 1 1.682 0.025 A 32 LYS HD3 H 1 1.682 0.025 A 32 LYS HE2 H 1 2.525 0.017 A 32 LYS HE3 H 1 2.525 0.017 A 32 LYS HG2 H 1 1.566 . A 32 LYS HG3 H 1 1.566 . A 32 LYS CA C 13 57.088 0.106 A 32 LYS CB C 13 31.875 . A 32 LYS CD C 13 29.224 . A 32 LYS N N 15 116.280 0.134 A 33 VAL H H 1 8.565 0.009 A 33 VAL HA H 1 4.645 0.02 A 33 VAL HB H 1 2.193 0.012 A 33 VAL HGx% H 1 0.316 0.013 A 33 VAL HGy% H 1 0.754 0.008 A 33 VAL CA C 13 61.270 0.065 A 33 VAL CB C 13 38.874 . A 33 VAL N N 15 121.738 0.134 A 34 TYR H H 1 9.529 0.015 A 34 TYR HA H 1 5.049 0.008 A 34 TYR HBx H 1 2.274 0.027 A 34 TYR HBy H 1 2.788 0.03 A 34 TYR HDx H 1 6.929 0.021 A 34 TYR HDy H 1 6.929 0.021 A 34 TYR HEx H 1 6.710 0.016 A 34 TYR HEy H 1 6.710 0.016 A 34 TYR CA C 13 56.115 0.073 A 34 TYR CB C 13 41.125 0.042 A 34 TYR N N 15 125.946 0.164 A 35 ASP H H 1 8.504 0.018 A 35 ASP HA H 1 4.929 0.017 A 35 ASP HB2 H 1 2.783 0.011 A 35 ASP HB3 H 1 2.778 0.01 A 35 ASP CA C 13 52.735 0.058 A 35 ASP CB C 13 39.935 . A 35 ASP N N 15 120.325 0.149 A 36 LEU H H 1 8.331 0.008 A 36 LEU HA H 1 4.189 0.008 A 36 LEU HB2 H 1 1.989 0.022 A 36 LEU HB3 H 1 1.989 0.022 A 36 LEU HD1% H 1 0.921 0.014 A 36 LEU HD2% H 1 0.917 0.016 A 36 LEU HG H 1 1.385 0.028 A 36 LEU CA C 13 57.074 0.016 A 36 LEU CB C 13 42.447 . A 36 LEU N N 15 127.254 0.176 A 37 THR H H 1 8.260 0.008 A 37 THR HA H 1 4.420 0.01 A 37 THR HB H 1 3.925 0.01 A 37 THR HG1 H 1 6.255 0.011 A 37 THR CA C 13 67.474 0.077 A 37 THR N N 15 115.567 0.231 A 38 LYS H H 1 7.929 0.008 A 38 LYS HA H 1 4.418 0.01 A 38 LYS HB2 H 1 1.828 . A 38 LYS HE2 H 1 2.667 0.014 A 38 LYS HG3 H 1 1.513 . A 38 LYS CA C 13 58.484 0.015 A 38 LYS N N 15 120.518 0.167 A 39 PHE H H 1 7.725 0.017 A 39 PHE HA H 1 4.061 0.011 A 39 PHE HB2 H 1 3.181 0.023 A 39 PHE HB3 H 1 3.181 0.023 A 39 PHE HDx H 1 6.932 0.021 A 39 PHE HDy H 1 6.932 0.021 A 39 PHE HZ H 1 7.172 0.005 A 39 PHE CA C 13 60.108 0.103 A 39 PHE CB C 13 39.255 . A 39 PHE N N 15 121.554 0.163 A 40 LEU H H 1 8.580 0.006 A 40 LEU HA H 1 3.950 0.014 A 40 LEU HB2 H 1 2.061 0.021 A 40 LEU HB3 H 1 2.064 0.025 A 40 LEU HD1% H 1 0.920 0.026 A 40 LEU HD2% H 1 0.924 0.026 A 40 LEU HG H 1 1.513 . A 40 LEU CA C 13 56.453 0.009 A 40 LEU CB C 13 41.392 0.063 A 40 LEU CG C 13 25.783 . A 40 LEU N N 15 117.238 0.15 A 41 GLU H H 1 7.543 0.011 A 41 GLU HA H 1 3.949 0.016 A 41 GLU HB2 H 1 2.228 0.006 A 41 GLU HB3 H 1 2.228 0.006 A 41 GLU HG2 H 1 2.553 0.01 A 41 GLU HG3 H 1 2.553 0.01 A 41 GLU CA C 13 58.763 0.066 A 41 GLU CB C 13 29.456 0.105 A 41 GLU CG C 13 36.517 . A 41 GLU N N 15 117.781 0.08 A 42 GLU H H 1 7.316 0.015 A 42 GLU HA H 1 4.284 0.007 A 42 GLU HB2 H 1 2.153 0.018 A 42 GLU HB3 H 1 2.153 0.018 A 42 GLU HG2 H 1 2.538 0.009 A 42 GLU HG3 H 1 2.538 0.009 A 42 GLU CA C 13 57.270 0.098 A 42 GLU CB C 13 30.262 0.055 A 42 GLU N N 15 117.302 0.066 A 43 TRP H H 1 8.276 0.008 A 43 TRP HA H 1 4.185 . A 43 TRP HB2 H 1 3.404 0.015 A 43 TRP HB3 H 1 3.404 0.015 A 43 TRP HD1 H 1 6.840 0.003 A 43 TRP HE3 H 1 7.154 . A 43 TRP HZ3 H 1 5.641 . A 43 TRP CA C 13 60.966 . A 43 TRP N N 15 122.001 0.086 A 44 PRO HA H 1 4.256 . A 44 PRO HB2 H 1 2.096 . A 44 PRO HB3 H 1 2.096 . A 44 PRO HD2 H 1 4.150 . A 44 PRO HD3 H 1 4.150 . A 44 PRO CA C 13 62.339 0.026 A 45 GLY H H 1 8.498 0.007 A 45 GLY HA2 H 1 3.897 0.011 A 45 GLY HA3 H 1 3.915 0.023 A 45 GLY CA C 13 45.266 0.165 A 45 GLY N N 15 111.617 0.192 A 46 GLY H H 1 8.149 0.013 A 46 GLY HAx H 1 3.568 . A 46 GLY HAy H 1 4.050 0.001 A 46 GLY CA C 13 46.050 . A 46 GLY N N 15 108.298 0.172 A 47 GLU H H 1 8.922 . A 47 GLU HA H 1 4.467 0.019 A 47 GLU HG2 H 1 2.808 . A 47 GLU HG3 H 1 2.801 0.005 A 48 GLU H H 1 8.554 0.005 A 48 GLU HA H 1 3.996 0.006 A 48 GLU HB2 H 1 2.143 . A 48 GLU HB3 H 1 2.143 . A 48 GLU HGx H 1 2.289 0.01 A 48 GLU HGy H 1 2.661 0.007 A 48 GLU CB C 13 28.979 . A 48 GLU CG C 13 36.229 . A 49 VAL H H 1 7.533 0.009 A 49 VAL HA H 1 4.277 0.024 A 49 VAL HB H 1 2.205 0.006 A 49 VAL HG2% H 1 0.935 0.023 A 49 VAL CA C 13 64.087 0.229 A 49 VAL CB C 13 36.270 . A 49 VAL N N 15 118.731 0.066 A 50 LEU H H 1 8.464 0.012 A 50 LEU HA H 1 4.287 0.014 A 50 LEU HB2 H 1 1.215 . A 50 LEU HB3 H 1 1.215 . A 50 LEU HD2% H 1 0.930 0.02 A 50 LEU HG H 1 1.311 0.001 A 50 LEU CA C 13 55.791 . A 50 LEU N N 15 121.770 0.127 A 51 ARG H H 1 8.211 0.019 A 51 ARG HA H 1 4.288 0.014 A 51 ARG HB2 H 1 1.648 . A 51 ARG HB3 H 1 1.648 . A 51 ARG HE H 1 7.662 0.009 A 51 ARG HG2 H 1 1.426 0.016 A 51 ARG HG3 H 1 1.422 0.019 A 51 ARG CA C 13 56.297 0.092 A 51 ARG CB C 13 30.264 . A 51 ARG N N 15 122.468 0.094 A 52 GLU H H 1 8.745 0.015 A 52 GLU HA H 1 4.204 0.025 A 52 GLU HB2 H 1 2.403 . A 52 GLU HB3 H 1 2.403 . A 52 GLU HG2 H 1 2.228 0.03 A 52 GLU HG3 H 1 2.228 0.03 A 52 GLU CA C 13 54.458 . A 52 GLU CB C 13 27.482 . A 52 GLU CG C 13 36.227 . A 52 GLU N N 15 122.337 0.137 A 53 GLN H H 1 8.380 0.011 A 53 GLN HA H 1 4.274 0.01 A 53 GLN HB2 H 1 1.968 . A 53 GLN HB3 H 1 1.968 . A 53 GLN HE22 H 1 6.808 0.009 A 53 GLN HG2 H 1 2.282 0.011 A 53 GLN HG3 H 1 2.282 0.011 A 53 GLN CA C 13 56.323 0.155 A 53 GLN CB C 13 30.307 . A 53 GLN CG C 13 33.752 . A 53 GLN N N 15 122.456 0.204 A 54 ALA H H 1 8.495 0.009 A 54 ALA HA H 1 4.280 0.013 A 54 ALA HB% H 1 1.393 0.032 A 54 ALA CA C 13 52.635 0.005 A 54 ALA CB C 13 19.328 0.024 A 54 ALA N N 15 125.952 0.109 A 55 GLY H H 1 8.465 0.026 A 55 GLY HAy H 1 4.417 0.007 A 55 GLY HAx H 1 3.947 0.018 A 55 GLY CA C 13 45.234 0.088 A 55 GLY N N 15 108.772 0.135 A 56 GLY H H 1 8.359 0.022 A 56 GLY HAx H 1 3.937 0.011 A 56 GLY HAy H 1 4.038 0.009 A 56 GLY CA C 13 45.140 0.071 A 56 GLY N N 15 109.093 0.143 A 57 ASP H H 1 8.415 0.014 A 57 ASP HA H 1 4.636 0.047 A 57 ASP HB2 H 1 2.659 0.009 A 57 ASP HB3 H 1 2.659 0.009 A 57 ASP CA C 13 54.215 0.035 A 57 ASP CB C 13 41.272 0.052 A 57 ASP N N 15 120.570 0.143 A 58 ALA H H 1 8.405 0.013 A 58 ALA HA H 1 4.423 0.011 A 58 ALA HB% H 1 1.429 0.014 A 58 ALA CA C 13 52.720 0.152 A 58 ALA CB C 13 19.118 0.144 A 58 ALA N N 15 124.683 0.078 A 59 THR H H 1 8.228 0.01 A 59 THR HA H 1 4.315 0.017 A 59 THR HB H 1 4.243 . A 59 THR HG1 H 1 5.037 0.0 A 59 THR HG2% H 1 1.285 . A 59 THR CA C 13 62.374 0.072 A 59 THR CB C 13 69.621 . A 59 THR N N 15 113.122 0.15 A 60 GLU H H 1 8.642 0.013 A 60 GLU HA H 1 4.172 0.007 A 60 GLU HB2 H 1 1.985 0.006 A 60 GLU HB3 H 1 1.985 0.006 A 60 GLU HG2 H 1 2.158 0.001 A 60 GLU HG3 H 1 2.158 0.001 A 60 GLU CA C 13 56.521 0.19 A 60 GLU N N 15 125.814 0.02 A 61 ASN H H 1 8.401 0.007 A 61 ASN HA H 1 4.679 0.028 A 61 ASN HB2 H 1 2.716 0.013 A 61 ASN HB3 H 1 2.716 0.013 A 61 ASN HD21 H 1 6.565 0.013 A 61 ASN HD22 H 1 7.026 0.007 A 61 ASN CA C 13 53.002 0.079 A 61 ASN N N 15 119.334 0.118 A 62 PHE H H 1 8.339 0.01 A 62 PHE HA H 1 4.542 0.01 A 62 PHE HB2 H 1 3.040 0.007 A 62 PHE HB3 H 1 3.038 0.006 A 62 PHE HDx H 1 7.157 0.019 A 62 PHE HDy H 1 7.157 0.019 A 62 PHE HEx H 1 7.676 0.016 A 62 PHE HEy H 1 7.676 0.016 A 62 PHE CA C 13 58.710 . A 62 PHE N N 15 121.516 0.108 A 63 GLU HA H 1 4.102 0.025 A 63 GLU HB2 H 1 1.626 0.021 A 63 GLU HB3 H 1 1.626 0.021 A 63 GLU HG2 H 1 2.811 0.019 A 63 GLU HG3 H 1 2.811 0.019 A 63 GLU CA C 13 54.822 0.131 A 63 GLU CB C 13 32.785 0.195 A 64 ASP H H 1 8.326 0.009 A 64 ASP HA H 1 4.544 0.012 A 64 ASP HB2 H 1 2.652 . A 64 ASP HB3 H 1 2.913 . A 64 ASP CA C 13 54.873 0.199 A 64 ASP CB C 13 41.127 0.125 A 64 ASP N N 15 122.686 0.201 A 65 VAL H H 1 7.996 0.018 A 65 VAL HA H 1 4.150 0.022 A 65 VAL HB H 1 2.050 0.023 A 65 VAL HG1% H 1 0.905 0.025 A 65 VAL HG2% H 1 0.903 0.023 A 65 VAL CA C 13 62.622 0.059 A 65 VAL CB C 13 32.452 0.109 A 65 VAL CG1 C 13 20.913 . A 65 VAL CG2 C 13 20.913 . A 65 VAL N N 15 119.300 0.121 A 66 GLY H H 1 8.409 0.014 A 66 GLY HA2 H 1 3.788 0.018 A 66 GLY HA3 H 1 3.788 0.018 A 66 GLY CA C 13 45.135 0.069 A 66 GLY N N 15 110.876 0.137 A 67 PHE H H 1 8.019 0.009 A 67 PHE HA H 1 4.649 0.012 A 67 PHE HBy H 1 3.066 0.023 A 67 PHE HBx H 1 2.141 0.001 A 67 PHE HDx H 1 7.154 . A 67 PHE HDy H 1 7.154 . A 67 PHE HEx H 1 7.662 0.01 A 67 PHE HEy H 1 7.662 0.01 A 67 PHE HZ H 1 7.352 . A 67 PHE CA C 13 57.767 0.027 A 67 PHE CB C 13 39.745 . A 67 PHE N N 15 119.745 0.107 A 68 SER HA H 1 4.492 0.011 A 68 SER HB2 H 1 3.868 . A 68 SER HB3 H 1 3.868 . A 68 SER HG H 1 5.378 . A 69 THR HA H 1 4.369 0.015 A 69 THR HB H 1 3.909 0.025 A 69 THR HG1 H 1 4.906 . A 69 THR HG2% H 1 1.532 0.006 A 69 THR CA C 13 58.627 0.078 A 70 ASP H H 1 8.669 0.012 A 70 ASP HA H 1 4.619 0.027 A 70 ASP HB2 H 1 2.557 0.001 A 70 ASP HB3 H 1 2.557 0.001 A 70 ASP CA C 13 56.290 0.116 A 70 ASP CB C 13 40.852 0.093 A 70 ASP N N 15 123.076 0.127 A 71 ALA H H 1 8.409 0.019 A 71 ALA HA H 1 4.634 0.017 A 71 ALA HB% H 1 1.169 0.004 A 71 ALA CA C 13 54.070 0.215 A 71 ALA CB C 13 18.915 . A 71 ALA N N 15 122.533 0.15 A 72 ARG H H 1 8.097 0.015 A 72 ARG HA H 1 3.920 0.01 A 72 ARG HB2 H 1 1.954 . A 72 ARG HB3 H 1 1.954 . A 72 ARG HD2 H 1 3.183 . A 72 ARG HD3 H 1 3.183 . A 72 ARG HG2 H 1 1.265 0.02 A 72 ARG HG3 H 1 1.285 . A 72 ARG CA C 13 58.846 . A 72 ARG N N 15 118.880 0.1 A 73 GLU HA H 1 4.920 0.01 A 73 GLU HG2 H 1 2.363 0.004 A 73 GLU HG3 H 1 2.363 0.004 A 74 LEU H H 1 8.672 . A 74 LEU HA H 1 3.908 0.013 A 74 LEU HB2 H 1 2.260 0.011 A 74 LEU HB3 H 1 2.267 0.005 A 74 LEU HG H 1 1.408 . A 74 LEU CA C 13 58.755 . A 74 LEU CB C 13 45.210 0.044 A 75 SER H H 1 8.259 0.014 A 75 SER HA H 1 5.141 0.024 A 75 SER HB2 H 1 4.172 0.029 A 75 SER HB3 H 1 4.172 0.029 A 75 SER HG H 1 7.450 0.005 A 75 SER CA C 13 58.626 0.115 A 75 SER N N 15 119.920 0.123 A 76 LYS H H 1 7.766 0.009 A 76 LYS HA H 1 4.038 0.015 A 76 LYS HB2 H 1 2.042 . A 76 LYS HB3 H 1 2.045 0.003 A 76 LYS HD2 H 1 1.661 0.003 A 76 LYS HD3 H 1 1.661 0.003 A 76 LYS HE2 H 1 2.685 0.0 A 76 LYS HE3 H 1 2.685 0.0 A 76 LYS HG2 H 1 1.171 . A 76 LYS HG3 H 1 1.171 . A 76 LYS CA C 13 55.823 0.026 A 76 LYS CB C 13 31.992 0.221 A 76 LYS N N 15 118.190 0.149 A 77 LYS H H 1 7.764 0.012 A 77 LYS HA H 1 4.127 0.006 A 77 LYS HB2 H 1 1.853 . A 77 LYS HB3 H 1 1.853 . A 77 LYS HD2 H 1 1.661 0.01 A 77 LYS HD3 H 1 1.661 0.01 A 77 LYS HE2 H 1 3.205 0.004 A 77 LYS HE3 H 1 3.204 0.004 A 77 LYS HG2 H 1 1.238 . A 77 LYS HG3 H 1 1.238 . A 77 LYS CA C 13 57.923 0.106 A 77 LYS CB C 13 31.578 0.221 A 77 LYS CD C 13 29.132 . A 77 LYS CG C 13 24.815 . A 77 LYS N N 15 118.192 0.165 A 78 TYR H H 1 7.721 0.013 A 78 TYR HA H 1 4.552 0.018 A 78 TYR HB2 H 1 2.687 0.017 A 78 TYR HB3 H 1 2.685 0.017 A 78 TYR HDx H 1 7.118 . A 78 TYR HDy H 1 7.118 . A 78 TYR HEx H 1 6.930 0.015 A 78 TYR HEy H 1 6.930 0.015 A 78 TYR CA C 13 58.198 0.107 A 78 TYR CB C 13 37.871 0.103 A 78 TYR N N 15 116.385 0.109 A 79 ILE H H 1 6.971 0.02 A 79 ILE HA H 1 3.902 0.014 A 79 ILE HB H 1 2.276 0.027 A 79 ILE HD1% H 1 -0.258 . A 79 ILE HG12 H 1 1.602 . A 79 ILE HG13 H 1 1.602 . A 79 ILE HG2% H 1 0.904 0.017 A 79 ILE CA C 13 62.337 0.045 A 79 ILE CB C 13 36.903 . A 79 ILE N N 15 120.844 0.114 A 80 ILE H H 1 8.894 0.016 A 80 ILE HA H 1 4.574 0.031 A 80 ILE HB H 1 1.772 0.006 A 80 ILE HD1% H 1 -0.929 . A 80 ILE HG12 H 1 1.331 0.012 A 80 ILE HG13 H 1 1.331 0.012 A 80 ILE HG2% H 1 -0.258 0.005 A 80 ILE CA C 13 60.806 0.035 A 80 ILE CB C 13 38.629 . A 80 ILE CG2 C 13 18.459 . A 80 ILE N N 15 122.784 0.188 A 81 GLY H H 1 7.491 0.013 A 81 GLY HAx H 1 4.099 0.017 A 81 GLY HAy H 1 4.420 0.043 A 81 GLY CA C 13 45.404 0.039 A 81 GLY N N 15 110.567 0.133 A 82 GLU H H 1 9.118 0.017 A 82 GLU HA H 1 5.359 0.025 A 82 GLU HB2 H 1 1.786 0.015 A 82 GLU HB3 H 1 1.777 0.026 A 82 GLU HG2 H 1 2.309 0.019 A 82 GLU HG3 H 1 2.309 0.019 A 82 GLU CA C 13 54.346 0.052 A 82 GLU CB C 13 34.448 0.073 A 82 GLU N N 15 118.303 0.203 A 83 LEU H H 1 8.880 0.02 A 83 LEU HA H 1 4.548 0.011 A 83 LEU HB2 H 1 1.389 0.005 A 83 LEU HB3 H 1 1.375 0.02 A 83 LEU HD1% H 1 1.130 0.027 A 83 LEU HD2% H 1 1.124 0.025 A 83 LEU HG H 1 1.829 0.022 A 83 LEU CA C 13 54.427 0.054 A 83 LEU CB C 13 43.139 0.043 A 83 LEU CD2 C 13 24.282 . A 83 LEU N N 15 122.946 0.135 A 84 HIS H H 1 9.213 0.013 A 84 HIS HA H 1 4.660 0.014 A 84 HIS HB2 H 1 2.925 0.003 A 84 HIS HB3 H 1 2.921 0.007 A 84 HIS HD1 H 1 5.761 0.016 A 84 HIS HD2 H 1 6.943 0.017 A 84 HIS CA C 13 56.807 . A 84 HIS N N 15 131.355 0.174 A 85 PRO HA H 1 3.824 0.004 A 85 PRO HB2 H 1 2.171 0.019 A 85 PRO HB3 H 1 2.171 0.019 A 85 PRO HD2 H 1 3.681 0.023 A 85 PRO HD3 H 1 3.681 0.023 A 85 PRO HG2 H 1 1.786 . A 85 PRO HG3 H 1 1.786 . A 85 PRO CA C 13 65.935 0.04 A 85 PRO CB C 13 32.566 0.102 A 85 PRO CG C 13 27.485 . A 86 ASP H H 1 11.273 0.021 A 86 ASP HA H 1 4.540 0.02 A 86 ASP HB2 H 1 2.715 0.013 A 86 ASP HB3 H 1 2.716 0.014 A 86 ASP CA C 13 56.961 0.123 A 86 ASP CB C 13 39.663 0.053 A 86 ASP N N 15 121.380 0.115 A 87 ASP H H 1 8.267 0.009 A 87 ASP HA H 1 4.982 0.029 A 87 ASP HBy H 1 3.027 0.014 A 87 ASP HBx H 1 2.695 0.029 A 87 ASP CA C 13 54.467 0.042 A 87 ASP CB C 13 43.023 0.049 A 87 ASP N N 15 117.547 0.123 A 88 ARG H H 1 7.349 0.027 A 88 ARG HA H 1 4.034 0.017 A 88 ARG HB2 H 1 1.876 0.012 A 88 ARG HB3 H 1 1.881 0.01 A 88 ARG HD2 H 1 2.734 . A 88 ARG HD3 H 1 2.723 0.011 A 88 ARG HE H 1 7.593 . A 88 ARG HG2 H 1 1.286 0.001 A 88 ARG HG3 H 1 1.286 0.001 A 88 ARG HH12 H 1 6.033 . A 88 ARG CA C 13 59.443 0.049 A 88 ARG CB C 13 29.338 . A 88 ARG N N 15 120.045 0.117 A 89 SER H H 1 8.580 0.014 A 89 SER HA H 1 4.388 0.017 A 89 SER HB2 H 1 3.909 0.017 A 89 SER HB3 H 1 3.915 0.006 A 89 SER HG H 1 5.286 0.018 A 89 SER CA C 13 59.348 0.042 A 89 SER CB C 13 62.901 0.032 A 89 SER N N 15 114.009 0.158 A 90 LYS H H 1 7.803 0.012 A 90 LYS HA H 1 4.307 0.018 A 90 LYS HB2 H 1 1.881 0.012 A 90 LYS HB3 H 1 1.881 0.012 A 90 LYS HD2 H 1 1.578 . A 90 LYS HD3 H 1 1.578 . A 90 LYS HE2 H 1 3.040 0.018 A 90 LYS HE3 H 1 3.040 0.018 A 90 LYS HG2 H 1 1.481 0.022 A 90 LYS HG3 H 1 1.481 0.022 A 90 LYS HZ1 H 1 7.159 . A 90 LYS HZ2 H 1 7.159 . A 90 LYS HZ3 H 1 7.159 . A 90 LYS CA C 13 57.144 0.072 A 90 LYS CB C 13 33.115 0.098 A 90 LYS CD C 13 29.505 . A 90 LYS CE C 13 42.411 . A 90 LYS CG C 13 25.806 . A 90 LYS N N 15 121.403 0.154 A 91 ILE H H 1 7.495 0.016 A 91 ILE HA H 1 4.309 0.015 A 91 ILE HB H 1 2.039 0.022 A 91 ILE HG1y H 1 1.437 0.024 A 91 ILE HG1x H 1 1.042 0.012 A 91 ILE HG2% H 1 0.944 . A 91 ILE CA C 13 60.404 0.038 A 91 ILE CB C 13 38.331 0.066 A 91 ILE CD1 C 13 13.244 . A 91 ILE CG1 C 13 26.980 . A 91 ILE CG2 C 13 17.942 . A 91 ILE N N 15 116.760 0.131 A 92 ALA H H 1 8.127 0.014 A 92 ALA HA H 1 4.394 0.02 A 92 ALA HB% H 1 1.439 0.022 A 92 ALA CA C 13 52.400 0.086 A 92 ALA CB C 13 19.335 0.099 A 92 ALA N N 15 127.757 0.144 A 93 LYS H H 1 8.436 0.01 A 93 LYS HA H 1 4.425 . A 93 LYS HB2 H 1 1.866 0.02 A 93 LYS HB3 H 1 1.866 0.02 A 93 LYS HEy H 1 3.050 . A 93 LYS HEx H 1 2.803 . A 93 LYS HG2 H 1 1.456 0.005 A 93 LYS HG3 H 1 1.456 0.005 A 93 LYS CA C 13 54.160 0.093 A 93 LYS CB C 13 32.336 . A 93 LYS N N 15 122.424 0.146 A 94 PRO HA H 1 4.413 0.023 A 94 PRO HB2 H 1 2.275 0.006 A 94 PRO HB3 H 1 2.275 0.006 A 94 PRO HD2 H 1 3.749 . A 94 PRO HD3 H 1 3.749 . A 94 PRO HG2 H 1 2.020 0.019 A 94 PRO HG3 H 1 2.023 0.019 A 94 PRO CA C 13 63.388 0.031 A 94 PRO CB C 13 31.971 0.103 A 94 PRO CD C 13 50.635 . A 94 PRO CG C 13 27.532 . A 95 SER H H 1 8.470 0.013 A 95 SER HA H 1 4.413 0.026 A 95 SER HBx H 1 3.859 . A 95 SER HBy H 1 3.933 0.001 A 95 SER HG H 1 4.934 0.006 A 95 SER CA C 13 58.533 0.05 A 95 SER CB C 13 63.679 0.024 A 95 SER N N 15 115.856 0.123 A 96 GLU H H 1 8.548 0.008 A 96 GLU HA H 1 4.420 0.015 A 96 GLU HB2 H 1 2.022 0.015 A 96 GLU HB3 H 1 2.022 0.015 A 96 GLU HG2 H 1 2.277 0.007 A 96 GLU HG3 H 1 2.277 0.007 A 96 GLU CA C 13 56.446 0.025 A 96 GLU CB C 13 30.331 0.051 A 96 GLU CG C 13 36.343 . A 96 GLU N N 15 122.961 0.097 A 97 THR H H 1 8.292 0.007 A 97 THR HA H 1 4.422 0.016 A 97 THR HB H 1 4.182 . A 97 THR HG1 H 1 1.307 . A 97 THR HG2% H 1 1.183 0.012 A 97 THR CA C 13 61.838 0.047 A 97 THR CB C 13 69.774 0.039 A 97 THR CG2 C 13 21.803 . A 97 THR N N 15 116.176 0.144 A 98 LEU H H 1 8.085 0.022 A 98 LEU HA H 1 4.307 0.025 A 98 LEU HB2 H 1 1.679 . A 98 LEU HB3 H 1 1.679 . A 98 LEU CA C 13 56.800 0.031 A 98 LEU CB C 13 43.050 . A 98 LEU N N 15 131.155 0.142 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 3 GLN H A 4 SER H 1.0 . 4.50 2 2 A 4 SER H A 3 GLN HA 1.0 . 2.50 3 3 A 4 SER H A 4 SER HG 1.0 . 2.80 4 4 A 4 SER H A 4 SER HBx 1.0 . 3.42 5 5 A 4 SER H A 4 SER HA 1.0 . 3.10 6 6 A 3 GLN H A 5 ASP H 1.0 . 6.00 7 7 A 4 SER HG A 5 ASP H 1.0 . 2.65 8 8 A 4 SER HBx A 5 ASP H 1.0 . 3.50 9 9 A 5 ASP H A 5 ASP HBy 1.0 . 3.00 10 9 A 5 ASP H A 5 ASP HBx 1.0 . 3.00 11 10 A 5 ASP H A 5 ASP HA 1.0 . 3.10 12 11 A 4 SER HA A 5 ASP H 1.0 . 3.60 13 12 A 5 ASP H A 6 LYS H 1.0 . 3.20 14 13 A 4 SER H A 6 LYS H 1.0 . 4.40 15 14 A 5 ASP HA A 6 LYS H 1.0 . 3.50 16 15 A 6 LYS H A 5 ASP HBy 1.0 . 3.00 17 15 A 5 ASP HBx A 6 LYS H 1.0 . 3.00 18 16 A 6 LYS H A 6 LYS HA 1.0 . 3.00 19 17 A 6 LYS H A 4 SER HBy 1.0 . 5.60 20 18 A 6 LYS H A 6 LYS HBx 1.0 . 3.67 21 19 A 6 LYS H A 6 LYS HE2 1.0 . 5.70 22 19 A 6 LYS H A 6 LYS HE3 1.0 . 5.70 23 20 A 6 LYS H A 6 LYS HZ% 1.0 . 5.86 24 21 A 6 LYS H A 7 ASP HA 1.0 . 5.50 25 22 A 4 SER HG A 6 LYS H 1.0 . 5.70 26 23 A 6 LYS H A 6 LYS HD2 1.0 . 4.63 27 23 A 6 LYS H A 6 LYS HD3 1.0 . 4.63 28 24 A 5 ASP HA A 7 ASP H 1.0 . 5.10 29 25 A 6 LYS HBx A 8 VAL H 1.0 . 4.90 30 26 A 6 LYS H A 8 VAL H 1.0 . 5.80 31 27 A 8 VAL H A 81 GLY HAx 1.0 . 5.95 32 28 A 9 LYS H A 9 LYS HA 1.0 . 3.20 33 29 A 9 LYS H A 81 GLY HAx 1.0 . 2.30 34 30 A 9 LYS H A 82 GLU HG2 1.0 . 4.80 35 30 A 9 LYS H A 82 GLU HG3 1.0 . 4.80 36 31 A 9 LYS H A 8 VAL HGy% 1.0 . 3.20 37 32 A 9 LYS H A 9 LYS HD2 1.0 . 4.60 38 32 A 9 LYS H A 9 LYS HD3 1.0 . 4.60 39 33 A 9 LYS H A 8 VAL HA 1.0 . 2.40 40 34 A 9 LYS H A 11 TYR HE% 1.0 . 5.10 41 35 A 3 GLN HGy A 10 TYR H 1.0 . 5.70 42 36 A 10 TYR H A 10 TYR HB3 1.0 . 3.80 43 37 A 10 TYR H A 82 GLU HG2 1.0 . 4.90 44 37 A 82 GLU HG3 A 10 TYR H 1.0 . 4.90 45 38 A 9 LYS HA A 10 TYR H 1.0 . 2.35 46 39 A 10 TYR H A 81 GLY HAx 1.0 . 5.58 47 40 A 10 TYR H A 9 LYS HD2 1.0 . 5.10 48 40 A 9 LYS HD3 A 10 TYR H 1.0 . 5.10 49 41 A 10 TYR H A 9 LYS HB2 1.0 . 3.24 50 41 A 10 TYR H A 9 LYS HB3 1.0 . 3.24 51 42 A 10 TYR H A 10 TYR HB2 1.0 . 3.55 52 43 A 10 TYR H A 10 TYR HA 1.0 . 3.20 53 44 A 10 TYR H A 10 TYR HD% 1.0 . 2.40 54 45 A 10 TYR H A 11 TYR HD% 1.0 . 4.70 55 46 A 10 TYR H A 84 HIS HD2 1.0 . 6.00 56 47 A 10 TYR H A 10 TYR HE% 1.0 . 4.75 57 48 A 10 TYR H A 11 TYR H 1.0 . 4.40 58 49 A 10 TYR H A 11 TYR HA 1.0 . 5.30 59 50 A 11 TYR H A 12 THR HG2% 1.0 . 4.90 60 51 A 11 TYR H A 9 LYS HB2 1.0 . 5.10 61 51 A 9 LYS HB3 A 11 TYR H 1.0 . 5.10 62 52 A 11 TYR H A 82 GLU HB3 1.0 . 5.20 63 52 A 11 TYR H A 82 GLU HB2 1.0 . 5.20 64 53 A 10 TYR HD% A 11 TYR H 1.0 . 4.80 65 54 A 11 TYR HD% A 11 TYR H 1.0 . 2.90 66 55 A 10 TYR HB2 A 11 TYR H 1.0 . 4.60 67 56 A 10 TYR HA A 11 TYR H 1.0 . 2.30 68 57 A 11 TYR H A 11 TYR HA 1.0 . 3.10 69 58 A 11 TYR H A 11 TYR HBx 1.0 . 3.50 70 59 A 11 TYR HE% A 11 TYR H 1.0 . 5.20 71 60 A 11 TYR H A 84 HIS HB2 1.0 . 6.00 72 61 A 11 TYR HD% A 12 THR H 1.0 . 3.50 73 62 A 11 TYR HE% A 12 THR H 1.0 . 5.40 74 63 A 11 TYR H A 12 THR H 1.0 . 4.60 75 64 A 11 TYR HA A 12 THR H 1.0 . 2.62 76 65 A 12 THR H A 11 TYR HBy 1.0 . 4.10 77 66 A 11 TYR HBx A 12 THR H 1.0 . 2.70 78 67 A 12 THR HG2% A 12 THR H 1.0 . 4.00 79 68 A 12 THR H A 12 THR HA 1.0 . 3.10 80 69 A 12 THR H A 12 THR HB 1.0 . 3.88 81 70 A 12 THR H A 13 LEU H 1.0 . 4.40 82 71 A 12 THR H A 15 GLU H 1.0 . 4.10 83 72 A 12 THR H A 16 ILE H 1.0 . 4.50 84 73 A 12 THR H A 14 GLU H 1.0 . 5.50 85 74 A 12 THR H A 16 ILE HG13 1.0 . 4.30 86 74 A 12 THR H A 16 ILE HG12 1.0 . 4.30 87 75 A 12 THR H A 84 HIS HD1 1.0 . 6.10 88 76 A 12 THR H A 87 ASP HBy 1.0 . 5.70 89 77 A 12 THR HG2% A 13 LEU H 1.0 . 4.30 90 78 A 12 THR HA A 13 LEU H 1.0 . 2.30 91 79 A 12 THR HB A 13 LEU H 1.0 . 3.58 92 80 A 13 LEU H A 12 THR HG1 1.0 . 4.10 93 81 A 13 LEU H A 13 LEU HG 1.0 . 4.50 94 82 A 13 LEU H A 13 LEU HB2 1.0 . 2.80 95 82 A 13 LEU H A 13 LEU HB3 1.0 . 2.80 96 83 A 13 LEU H A 13 LEU HA 1.0 . 3.10 97 84 A 13 LEU H A 87 ASP HBx 1.0 . 2.40 98 85 A 13 LEU H A 83 LEU HD2% 1.0 . 2.50 99 86 A 13 LEU H A 83 LEU HD1% 1.0 . 2.50 100 87 A 13 LEU H A 16 ILE H 1.0 . 5.00 101 88 A 13 LEU H A 83 LEU HA 1.0 . 4.92 102 89 A 13 LEU H A 87 ASP HBy 1.0 . 2.38 103 90 A 12 THR HG2% A 14 GLU H 1.0 . 3.77 104 91 A 14 GLU H A 12 THR HG1 1.0 . 3.30 105 92 A 12 THR HA A 14 GLU H 1.0 . 4.20 106 93 A 13 LEU H A 14 GLU H 1.0 . 2.90 107 94 A 14 GLU H A 13 LEU HB2 1.0 . 3.00 108 94 A 14 GLU H A 13 LEU HB3 1.0 . 3.00 109 95 A 14 GLU H A 13 LEU HA 1.0 . 3.60 110 96 A 14 GLU H A 87 ASP HBx 1.0 . 4.10 111 97 A 14 GLU H A 90 LYS HE2 1.0 . 5.80 112 97 A 14 GLU H A 90 LYS HE3 1.0 . 5.80 113 98 A 14 GLU H A 14 GLU HB2 1.0 . 2.26 114 98 A 14 GLU H A 14 GLU HB3 1.0 . 2.26 115 99 A 14 GLU H A 15 GLU HB2 1.0 . 5.00 116 99 A 14 GLU H A 15 GLU HB3 1.0 . 5.00 117 100 A 14 GLU H A 91 ILE HB 1.0 . 4.77 118 101 A 14 GLU H A 14 GLU HA 1.0 . 3.00 119 102 A 15 GLU H A 14 GLU H 1.0 . 2.90 120 103 A 14 GLU H A 16 ILE HB 1.0 . 5.85 121 104 A 14 GLU H A 83 LEU HD1% 1.0 . 4.90 122 105 A 14 GLU H A 83 LEU HD2% 1.0 . 4.90 123 106 A 14 GLU H A 84 HIS HD1 1.0 . 6.10 124 107 A 14 GLU H A 87 ASP HBy 1.0 . 4.10 125 108 A 14 GLU H A 90 LYS HZ% 1.0 . 5.40 126 109 A 12 THR HG2% A 15 GLU H 1.0 . 3.52 127 110 A 11 TYR HD% A 15 GLU H 1.0 . 6.00 128 111 A 11 TYR HBx A 15 GLU H 1.0 . 6.00 129 112 A 12 THR HA A 15 GLU H 1.0 . 4.61 130 113 A 15 GLU H A 12 THR HG1 1.0 . 2.11 131 114 A 15 GLU H A 14 GLU HA 1.0 . 3.57 132 115 A 12 THR HB A 15 GLU H 1.0 . 4.19 133 116 A 15 GLU H A 14 GLU HB2 1.0 . 3.40 134 116 A 15 GLU H A 14 GLU HB3 1.0 . 3.40 135 117 A 15 GLU H A 15 GLU HB2 1.0 . 2.60 136 117 A 15 GLU H A 15 GLU HB3 1.0 . 2.60 137 118 A 15 GLU H A 16 ILE HB 1.0 . 5.10 138 119 A 15 GLU H A 15 GLU HA 1.0 . 3.11 139 120 A 15 GLU H A 17 GLN H 1.0 . 3.81 140 121 A 15 GLU H A 87 ASP HBx 1.0 . 5.80 141 122 A 15 GLU H A 13 LEU HA 1.0 . 4.10 142 123 A 15 GLU H A 87 ASP HBy 1.0 . 6.00 143 124 A 12 THR HG2% A 16 ILE H 1.0 . 5.64 144 125 A 15 GLU H A 16 ILE H 1.0 . 2.59 145 126 A 16 ILE H A 15 GLU HA 1.0 . 3.72 146 127 A 12 THR HB A 16 ILE H 1.0 . 6.10 147 128 A 16 ILE H A 15 GLU HG2 1.0 . 4.55 148 128 A 16 ILE H A 15 GLU HG3 1.0 . 4.55 149 129 A 16 ILE H A 16 ILE HA 1.0 . 3.10 150 130 A 16 ILE H A 17 GLN HG2 1.0 . 6.00 151 130 A 16 ILE H A 17 GLN HG3 1.0 . 6.00 152 131 A 16 ILE H A 17 GLN H 1.0 . 2.61 153 132 A 16 ILE H A 19 HIS HD1 1.0 . 5.71 154 133 A 16 ILE H A 28 ILE HG2% 1.0 . 6.00 155 134 A 16 ILE H A 16 ILE HD1% 1.0 . 3.60 156 135 A 16 ILE H A 13 LEU HD1% 1.0 . 4.80 157 136 A 16 ILE H A 55 GLY HAy 1.0 . 6.00 158 137 A 16 ILE H A 19 HIS H 1.0 . 6.10 159 138 A 19 HIS H A 17 GLN HA 1.0 . 4.42 160 139 A 19 HIS H A 18 LYS HA 1.0 . 2.86 161 140 A 19 HIS H A 18 LYS HB2 1.0 . 4.22 162 140 A 19 HIS H A 18 LYS HB3 1.0 . 4.22 163 141 A 19 HIS H A 19 HIS HB2 1.0 . 3.43 164 141 A 19 HIS H A 19 HIS HB3 1.0 . 3.43 165 142 A 19 HIS H A 19 HIS HE1 1.0 . 4.70 166 143 A 19 HIS H A 19 HIS HA 1.0 . 3.10 167 144 A 19 HIS H A 20 LYS HG2 1.0 . 4.74 168 144 A 19 HIS H A 20 LYS HG3 1.0 . 4.74 169 145 A 19 HIS H A 51 ARG HG3 1.0 . 5.80 170 145 A 19 HIS H A 51 ARG HG2 1.0 . 5.80 171 146 A 19 HIS H A 54 ALA HB% 1.0 . 5.50 172 147 A 21 ASP H A 19 HIS HB2 1.0 . 4.84 173 147 A 19 HIS HB3 A 21 ASP H 1.0 . 4.84 174 148 A 21 ASP H A 21 ASP HB2 1.0 . 3.20 175 148 A 21 ASP H A 21 ASP HB3 1.0 . 3.20 176 149 A 19 HIS HA A 21 ASP H 1.0 . 4.30 177 150 A 21 ASP H A 20 LYS HG2 1.0 . 5.42 178 150 A 20 LYS HG3 A 21 ASP H 1.0 . 5.42 179 151 A 21 ASP H A 23 LYS HG2 1.0 . 5.68 180 151 A 21 ASP H A 23 LYS HG3 1.0 . 5.68 181 152 A 21 ASP H A 51 ARG HG3 1.0 . 5.50 182 153 A 21 ASP H A 20 LYS HD2 1.0 . 5.28 183 153 A 21 ASP H A 20 LYS HD3 1.0 . 5.28 184 154 A 21 ASP H A 20 LYS HB2 1.0 . 3.85 185 154 A 21 ASP H A 20 LYS HB3 1.0 . 3.85 186 155 A 21 ASP H A 23 LYS HDx 1.0 . 5.20 187 156 A 21 ASP H A 21 ASP HA 1.0 . 3.23 188 157 A 21 ASP H A 25 THR HA 1.0 . 5.70 189 158 A 21 ASP H A 24 SER HA 1.0 . 5.80 190 159 A 21 ASP H A 22 SER HA 1.0 . 5.37 191 160 A 21 ASP H A 24 SER HB2 1.0 . 3.70 192 160 A 21 ASP H A 24 SER HB3 1.0 . 3.70 193 161 A 21 ASP H A 20 LYS HA 1.0 . 3.40 194 162 A 21 ASP H A 22 SER H 1.0 . 4.65 195 163 A 21 ASP H A 24 SER H 1.0 . 3.74 196 164 A 21 ASP H A 51 ARG HE 1.0 . 6.10 197 165 A 21 ASP H A 23 LYS HDx 1.0 . 5.52 198 165 A 21 ASP H A 23 LYS HDy 1.0 . 5.52 199 166 A 21 ASP HA A 22 SER H 1.0 . 2.61 200 167 A 22 SER H A 21 ASP HB2 1.0 . 3.47 201 167 A 21 ASP HB3 A 22 SER H 1.0 . 3.47 202 168 A 22 SER HA A 22 SER H 1.0 . 3.13 203 169 A 22 SER H A 23 LYS H 1.0 . 2.64 204 170 A 21 ASP H A 22 SER H 1.0 . 4.70 205 171 A 22 SER H A 40 LEU HD2% 1.0 . 4.70 206 172 A 22 SER H A 23 LYS HBx 1.0 . 5.70 207 173 A 22 SER H A 23 LYS HBy 1.0 . 4.80 208 174 A 22 SER H A 23 LYS HDx 1.0 . 5.70 209 175 A 22 SER H A 22 SER HBy 1.0 . 3.10 210 175 A 22 SER H A 22 SER HB2 1.0 . 3.10 211 176 A 22 SER H A 24 SER H 1.0 . 4.30 212 177 A 21 ASP HA A 23 LYS H 1.0 . 3.98 213 178 A 23 LYS H A 21 ASP HB2 1.0 . 3.17 214 178 A 21 ASP HB3 A 23 LYS H 1.0 . 3.17 215 179 A 23 LYS H A 22 SER HG 1.0 . 4.72 216 180 A 23 LYS H A 23 LYS HA 1.0 . 3.12 217 181 A 23 LYS H A 23 LYS HBy 1.0 . 3.20 218 182 A 23 LYS H A 23 LYS HDx 1.0 . 3.80 219 183 A 23 LYS H A 23 LYS HG2 1.0 . 3.42 220 183 A 23 LYS HG3 A 23 LYS H 1.0 . 3.42 221 184 A 23 LYS H A 23 LYS HBx 1.0 . 3.74 222 185 A 23 LYS H A 23 LYS HZ% 1.0 . 5.30 223 186 A 23 LYS H A 23 LYS HE2 1.0 . 5.00 224 186 A 23 LYS H A 23 LYS HE3 1.0 . 5.00 225 187 A 24 SER H A 23 LYS H 1.0 . 2.33 226 188 A 23 LYS H A 37 THR HG1 1.0 . 5.00 227 189 A 23 LYS H A 25 THR HG1 1.0 . 4.90 228 190 A 23 LYS H A 37 THR HA 1.0 . 5.80 229 191 A 24 SER H A 23 LYS HG2 1.0 . 3.21 230 191 A 23 LYS HG3 A 24 SER H 1.0 . 3.21 231 192 A 24 SER H A 21 ASP HB2 1.0 . 3.10 232 192 A 21 ASP HB3 A 24 SER H 1.0 . 3.10 233 193 A 21 ASP HA A 24 SER H 1.0 . 4.81 234 194 A 19 HIS HA A 24 SER H 1.0 . 5.10 235 195 A 24 SER H A 19 HIS HB2 1.0 . 5.54 236 195 A 19 HIS HB3 A 24 SER H 1.0 . 5.54 237 196 A 24 SER H A 23 LYS HZ% 1.0 . 4.85 238 197 A 24 SER H A 23 LYS HA 1.0 . 3.72 239 198 A 24 SER H A 23 LYS HE2 1.0 . 4.19 240 198 A 24 SER H A 23 LYS HE3 1.0 . 4.19 241 199 A 24 SER H A 23 LYS HDx 1.0 . 3.10 242 200 A 24 SER HA A 24 SER H 1.0 . 3.13 243 201 A 24 SER H A 25 THR HB 1.0 . 5.22 244 202 A 24 SER H A 24 SER HB2 1.0 . 3.00 245 202 A 24 SER HB3 A 24 SER H 1.0 . 3.00 246 203 A 24 SER H A 37 THR HB 1.0 . 6.00 247 204 A 25 THR H A 24 SER HB2 1.0 . 4.33 248 204 A 24 SER HB3 A 25 THR H 1.0 . 4.33 249 205 A 25 THR HB A 25 THR H 1.0 . 3.20 250 206 A 24 SER H A 25 THR H 1.0 . 4.10 251 207 A 24 SER HA A 25 THR H 1.0 . 2.90 252 208 A 25 THR HA A 25 THR H 1.0 . 3.10 253 209 A 25 THR HG1 A 25 THR H 1.0 . 3.91 254 210 A 25 THR H A 37 THR H 1.0 . 3.87 255 211 A 54 ALA HB% A 25 THR H 1.0 . 6.10 256 212 A 16 ILE HB A 26 TRP H 1.0 . 5.27 257 213 A 25 THR HA A 26 TRP H 1.0 . 2.22 258 214 A 16 ILE HA A 26 TRP H 1.0 . 4.90 259 215 A 24 SER HA A 26 TRP H 1.0 . 6.10 260 216 A 25 THR HB A 26 TRP H 1.0 . 4.20 261 217 A 55 GLY HAy A 26 TRP H 1.0 . 4.80 262 218 A 26 TRP H A 25 THR HG2% 1.0 . 2.59 263 219 A 26 TRP H A 26 TRP HE3 1.0 . 3.97 264 220 A 26 TRP H A 26 TRP HD1 1.0 . 5.15 265 221 A 26 TRP H A 26 TRP HA 1.0 . 3.10 266 222 A 26 TRP H A 26 TRP HBx 1.0 . 3.03 267 223 A 26 TRP H A 26 TRP HBy 1.0 . 3.96 268 224 A 54 ALA HB% A 26 TRP H 1.0 . 3.16 269 225 A 26 TRP H A 16 ILE HG13 1.0 . 5.50 270 225 A 16 ILE HG12 A 26 TRP H 1.0 . 5.50 271 226 A 26 TRP H A 36 LEU HG 1.0 . 4.94 272 227 A 26 TRP HBy A 27 VAL H 1.0 . 4.90 273 228 A 26 TRP HD1 A 27 VAL H 1.0 . 4.14 274 229 A 27 VAL H A 34 TYR HD% 1.0 . 5.10 275 230 A 26 TRP HBx A 27 VAL H 1.0 . 4.93 276 231 A 26 TRP HA A 27 VAL H 1.0 . 2.40 277 232 A 27 VAL H A 27 VAL HB 1.0 . 4.02 278 233 A 27 VAL H A 27 VAL HG2% 1.0 . 2.18 279 234 A 27 VAL H A 27 VAL HA 1.0 . 3.10 280 235 A 27 VAL H A 36 LEU HB2 1.0 . 3.80 281 235 A 27 VAL H A 36 LEU HB3 1.0 . 3.80 282 236 A 36 LEU HG A 27 VAL H 1.0 . 4.24 283 237 A 54 ALA HB% A 27 VAL H 1.0 . 5.60 284 238 A 16 ILE HG12 A 27 VAL H 1.0 . 6.00 285 239 A 27 VAL H A 36 LEU HD2% 1.0 . 3.79 286 240 A 27 VAL H A 36 LEU HD1% 1.0 . 5.30 287 241 A 16 ILE HD1% A 27 VAL H 1.0 . 3.90 288 242 A 28 ILE HG2% A 27 VAL H 1.0 . 4.30 289 243 A 27 VAL H A 36 LEU H 1.0 . 4.00 290 244 A 27 VAL H A 35 ASP HA 1.0 . 4.79 291 245 A 16 ILE HD1% A 28 ILE H 1.0 . 4.57 292 246 A 36 LEU HD2% A 28 ILE H 1.0 . 5.80 293 247 A 27 VAL HB A 28 ILE H 1.0 . 2.62 294 248 A 27 VAL HA A 28 ILE H 1.0 . 2.52 295 249 A 28 ILE H A 28 ILE HA 1.0 . 3.10 296 250 A 28 ILE H A 28 ILE HB 1.0 . 3.82 297 251 A 28 ILE H A 83 LEU HG 1.0 . 5.40 298 252 A 34 TYR HD% A 28 ILE H 1.0 . 5.20 299 253 A 28 ILE H A 57 ASP HA 1.0 . 4.20 300 254 A 28 ILE H A 33 VAL HA 1.0 . 5.00 301 255 A 28 ILE H A 58 ALA H 1.0 . 4.72 302 256 A 28 ILE H A 29 LEU HD2% 1.0 . 5.97 303 257 A 13 LEU HD1% A 28 ILE H 1.0 . 4.20 304 258 A 28 ILE H A 13 LEU HD2% 1.0 . 5.90 305 259 A 28 ILE HG2% A 28 ILE H 1.0 . 2.50 306 260 A 28 ILE H A 55 GLY HAx 1.0 . 5.55 307 261 A 28 ILE H A 58 ALA HA 1.0 . 4.80 308 262 A 28 ILE HA A 29 LEU H 1.0 . 2.30 309 263 A 13 LEU HD1% A 29 LEU H 1.0 . 6.00 310 264 A 29 LEU H A 29 LEU HD1% 1.0 . 4.20 311 265 A 29 LEU HD2% A 29 LEU H 1.0 . 2.00 312 266 A 28 ILE HG2% A 29 LEU H 1.0 . 4.20 313 267 A 28 ILE HB A 29 LEU H 1.0 . 3.18 314 268 A 83 LEU HG A 29 LEU H 1.0 . 5.90 315 269 A 29 LEU H A 29 LEU HB2 1.0 . 3.10 316 269 A 29 LEU H A 29 LEU HB3 1.0 . 3.10 317 270 A 29 LEU H A 32 LYS HB2 1.0 . 4.80 318 271 A 29 LEU H A 32 LYS HB3 1.0 . 5.20 319 272 A 29 LEU H A 29 LEU HA 1.0 . 3.10 320 273 A 33 VAL HA A 29 LEU H 1.0 . 3.90 321 274 A 57 ASP HA A 29 LEU H 1.0 . 6.00 322 275 A 29 LEU H A 29 LEU HG 1.0 . 3.82 323 276 A 29 LEU H A 34 TYR HE% 1.0 . 2.60 324 277 A 29 LEU H A 30 HIS HBy 1.0 . 4.93 325 278 A 34 TYR HD% A 29 LEU H 1.0 . 3.43 326 279 A 28 ILE HD1% A 30 HIS H 1.0 . 3.30 327 280 A 30 HIS H A 30 HIS HBx 1.0 . 3.84 328 281 A 30 HIS H A 30 HIS HD1 1.0 . 5.34 329 282 A 34 TYR HE% A 30 HIS H 1.0 . 4.40 330 283 A 30 HIS H A 30 HIS HD2 1.0 . 5.65 331 284 A 34 TYR HD% A 30 HIS H 1.0 . 5.70 332 285 A 30 HIS HBy A 30 HIS H 1.0 . 3.14 333 286 A 30 HIS H A 30 HIS HA 1.0 . 3.10 334 287 A 30 HIS H A 59 THR H 1.0 . 5.70 335 288 A 30 HIS H A 83 LEU H 1.0 . 5.70 336 289 A 28 ILE HA A 31 HIS H 1.0 . 5.90 337 290 A 31 HIS H A 29 LEU HB2 1.0 . 5.33 338 290 A 29 LEU HB3 A 31 HIS H 1.0 . 5.33 339 291 A 31 HIS H A 32 LYS HB2 1.0 . 4.70 340 291 A 31 HIS H A 32 LYS HB3 1.0 . 4.70 341 292 A 31 HIS H A 30 HIS HE1 1.0 . 5.84 342 293 A 30 HIS HD1 A 31 HIS H 1.0 . 3.95 343 294 A 34 TYR HE% A 31 HIS H 1.0 . 5.30 344 295 A 30 HIS HA A 31 HIS H 1.0 . 3.79 345 296 A 30 HIS HD2 A 31 HIS H 1.0 . 4.77 346 297 A 30 HIS HBy A 31 HIS H 1.0 . 2.45 347 298 A 31 HIS H A 31 HIS HD2 1.0 . 5.06 348 299 A 31 HIS H A 31 HIS HBy 1.0 . 3.07 349 300 A 31 HIS H A 31 HIS HD1 1.0 . 5.22 350 301 A 31 HIS H A 31 HIS HBx 1.0 . 2.66 351 302 A 31 HIS H A 31 HIS HA 1.0 . 3.10 352 303 A 28 ILE HB A 32 LYS H 1.0 . 3.89 353 304 A 83 LEU HG A 32 LYS H 1.0 . 5.60 354 305 A 30 HIS HD1 A 32 LYS H 1.0 . 5.52 355 306 A 30 HIS HBy A 32 LYS H 1.0 . 4.13 356 307 A 31 HIS HBx A 32 LYS H 1.0 . 3.69 357 308 A 31 HIS H A 32 LYS H 1.0 . 2.03 358 309 A 31 HIS HBy A 32 LYS H 1.0 . 4.34 359 310 A 32 LYS H A 32 LYS HE2 1.0 . 5.60 360 310 A 32 LYS H A 32 LYS HE3 1.0 . 5.60 361 311 A 32 LYS H A 32 LYS HA 1.0 . 3.10 362 312 A 32 LYS H A 32 LYS HB2 1.0 . 3.07 363 312 A 32 LYS HB3 A 32 LYS H 1.0 . 3.07 364 313 A 32 LYS H A 29 LEU HB2 1.0 . 5.20 365 313 A 29 LEU HB3 A 32 LYS H 1.0 . 5.20 366 314 A 82 GLU HB2 A 32 LYS H 1.0 . 5.60 367 315 A 32 LYS H A 33 VAL HB 1.0 . 6.00 368 316 A 32 LYS HA A 33 VAL H 1.0 . 2.28 369 317 A 29 LEU HD2% A 33 VAL H 1.0 . 4.60 370 318 A 28 ILE HG2% A 33 VAL H 1.0 . 4.80 371 319 A 11 TYR HBx A 33 VAL H 1.0 . 5.55 372 320 A 33 VAL H A 32 LYS HE2 1.0 . 5.10 373 320 A 32 LYS HE3 A 33 VAL H 1.0 . 5.10 374 321 A 33 VAL H A 32 LYS HD3 1.0 . 4.60 375 321 A 33 VAL H A 32 LYS HD2 1.0 . 4.60 376 322 A 33 VAL HB A 33 VAL H 1.0 . 3.05 377 323 A 34 TYR HD% A 33 VAL H 1.0 . 4.73 378 324 A 11 TYR HD% A 33 VAL H 1.0 . 5.60 379 325 A 34 TYR HE% A 33 VAL H 1.0 . 4.95 380 326 A 33 VAL H A 80 ILE H 1.0 . 5.33 381 327 A 33 VAL H A 82 GLU HA 1.0 . 2.07 382 328 A 28 ILE HA A 33 VAL H 1.0 . 4.99 383 329 A 83 LEU HA A 33 VAL H 1.0 . 4.21 384 330 A 33 VAL H A 83 LEU HB3 1.0 . 4.24 385 330 A 33 VAL H A 83 LEU HB2 1.0 . 4.24 386 331 A 33 VAL H A 81 GLY HAy 1.0 . 4.42 387 332 A 28 ILE HA A 34 TYR H 1.0 . 3.60 388 333 A 26 TRP HD1 A 34 TYR H 1.0 . 5.10 389 334 A 34 TYR HD% A 34 TYR H 1.0 . 2.80 390 335 A 26 TRP HBx A 34 TYR H 1.0 . 5.00 391 336 A 27 VAL HA A 34 TYR H 1.0 . 5.00 392 337 A 27 VAL H A 34 TYR H 1.0 . 3.10 393 338 A 80 ILE H A 34 TYR H 1.0 . 5.00 394 339 A 27 VAL HG2% A 34 TYR H 1.0 . 3.39 395 340 A 34 TYR H A 80 ILE HG2% 1.0 . 3.90 396 341 A 28 ILE HG2% A 34 TYR H 1.0 . 3.95 397 342 A 16 ILE HD1% A 34 TYR H 1.0 . 4.90 398 343 A 36 LEU HD2% A 34 TYR H 1.0 . 5.40 399 344 A 29 LEU HD2% A 34 TYR H 1.0 . 5.70 400 345 A 33 VAL H A 34 TYR H 1.0 . 4.65 401 346 A 34 TYR H A 35 ASP H 1.0 . 4.60 402 347 A 33 VAL HA A 34 TYR H 1.0 . 2.32 403 348 A 34 TYR H A 33 VAL HGy% 1.0 . 2.34 404 349 A 34 TYR H A 34 TYR HA 1.0 . 2.95 405 350 A 34 TYR H A 34 TYR HBx 1.0 . 2.81 406 351 A 34 TYR H A 34 TYR HBy 1.0 . 3.85 407 352 A 83 LEU HB2 A 34 TYR H 1.0 . 5.64 408 353 A 35 ASP H A 34 TYR HBy 1.0 . 2.76 409 354 A 35 ASP H A 79 ILE HB 1.0 . 5.80 410 355 A 34 TYR H A 35 ASP H 1.0 . 4.62 411 356 A 26 TRP HD1 A 35 ASP H 1.0 . 4.70 412 357 A 35 ASP H A 79 ILE H 1.0 . 4.60 413 358 A 34 TYR HD% A 35 ASP H 1.0 . 4.20 414 359 A 26 TRP HBy A 35 ASP H 1.0 . 6.10 415 360 A 35 ASP H A 34 TYR HA 1.0 . 2.30 416 361 A 35 ASP H A 34 TYR HBx 1.0 . 3.87 417 362 A 35 ASP H A 35 ASP HB3 1.0 . 2.70 418 362 A 35 ASP H A 35 ASP HB2 1.0 . 2.70 419 363 A 35 ASP H A 78 TYR HA 1.0 . 4.23 420 364 A 35 ASP H A 80 ILE HA 1.0 . 5.50 421 365 A 35 ASP H A 78 TYR HB3 1.0 . 3.10 422 365 A 35 ASP H A 78 TYR HB2 1.0 . 3.10 423 366 A 80 ILE HG2% A 35 ASP H 1.0 . 3.21 424 367 A 27 VAL HG2% A 35 ASP H 1.0 . 5.10 425 368 A 80 ILE H A 35 ASP H 1.0 . 3.61 426 369 A 27 VAL H A 35 ASP H 1.0 . 5.70 427 370 A 36 LEU HD2% A 35 ASP H 1.0 . 5.65 428 371 A 35 ASP H A 79 ILE HG2% 1.0 . 5.50 429 372 A 35 ASP H A 79 ILE HA 1.0 . 3.58 430 373 A 26 TRP HA A 36 LEU H 1.0 . 2.61 431 374 A 26 TRP HBy A 36 LEU H 1.0 . 4.11 432 375 A 26 TRP HD1 A 36 LEU H 1.0 . 2.62 433 376 A 36 LEU H A 39 PHE HD% 1.0 . 6.10 434 377 A 26 TRP HBx A 36 LEU H 1.0 . 4.75 435 378 A 27 VAL H A 36 LEU H 1.0 . 3.90 436 379 A 26 TRP H A 36 LEU H 1.0 . 5.10 437 380 A 36 LEU H A 34 TYR HBy 1.0 . 5.11 438 381 A 36 LEU H A 35 ASP HA 1.0 . 2.30 439 382 A 36 LEU HG A 36 LEU H 1.0 . 4.80 440 383 A 36 LEU H A 36 LEU HA 1.0 . 3.12 441 384 A 36 LEU H A 36 LEU HB2 1.0 . 2.71 442 384 A 36 LEU HB3 A 36 LEU H 1.0 . 2.71 443 385 A 37 THR HB A 36 LEU H 1.0 . 4.65 444 386 A 25 THR HB A 36 LEU H 1.0 . 4.90 445 387 A 40 LEU HD2% A 36 LEU H 1.0 . 5.60 446 388 A 36 LEU HD2% A 36 LEU H 1.0 . 4.30 447 389 A 36 LEU HD1% A 36 LEU H 1.0 . 4.36 448 390 A 37 THR H A 35 ASP HA 1.0 . 3.82 449 391 A 37 THR H A 26 TRP H 1.0 . 5.53 450 392 A 37 THR H A 27 VAL H 1.0 . 5.80 451 393 A 25 THR HG1 A 37 THR H 1.0 . 5.71 452 394 A 37 THR HA A 37 THR H 1.0 . 2.90 453 395 A 37 THR H A 38 LYS HA 1.0 . 5.60 454 396 A 25 THR HA A 37 THR H 1.0 . 5.20 455 397 A 24 SER HA A 37 THR H 1.0 . 5.80 456 398 A 25 THR HB A 37 THR H 1.0 . 3.35 457 399 A 37 THR HB A 37 THR H 1.0 . 2.80 458 400 A 37 THR H A 26 TRP HD1 1.0 . 4.20 459 401 A 37 THR H A 26 TRP HA 1.0 . 3.82 460 402 A 37 THR H A 36 LEU HB2 1.0 . 3.29 461 402 A 37 THR H A 36 LEU HB3 1.0 . 3.29 462 403 A 37 THR H A 36 LEU HG 1.0 . 5.33 463 404 A 37 THR HG1 A 37 THR H 1.0 . 4.43 464 405 A 37 THR H A 38 LYS H 1.0 . 2.83 465 406 A 37 THR H A 40 LEU HD1% 1.0 . 5.61 466 407 A 37 THR H A 50 LEU HD2% 1.0 . 6.02 467 408 A 37 THR H A 36 LEU HD2% 1.0 . 4.90 468 409 A 40 LEU HD2% A 37 THR H 1.0 . 6.00 469 410 A 37 THR H A 36 LEU HD1% 1.0 . 4.28 470 411 A 37 THR HA A 38 LYS H 1.0 . 3.60 471 412 A 38 LYS HA A 38 LYS H 1.0 . 3.10 472 413 A 36 LEU HA A 38 LYS H 1.0 . 3.91 473 414 A 38 LYS H A 36 LEU HB2 1.0 . 5.10 474 414 A 36 LEU HB3 A 38 LYS H 1.0 . 5.10 475 415 A 39 PHE H A 36 LEU HB2 1.0 . 5.23 476 415 A 36 LEU HB3 A 39 PHE H 1.0 . 5.23 477 416 A 39 PHE H A 38 LYS HEy 1.0 . 4.50 478 417 A 39 PHE H A 78 TYR HB3 1.0 . 5.80 479 418 A 39 PHE H A 39 PHE HA 1.0 . 2.96 480 419 A 39 PHE HD% A 39 PHE H 1.0 . 4.10 481 420 A 39 PHE H A 78 TYR HE% 1.0 . 3.70 482 421 A 39 PHE H A 39 PHE HB2 1.0 . 2.87 483 421 A 39 PHE H A 39 PHE HB3 1.0 . 2.87 484 422 A 40 LEU HD2% A 39 PHE H 1.0 . 5.38 485 423 A 50 LEU HD2% A 39 PHE H 1.0 . 5.23 486 424 A 40 LEU HD1% A 39 PHE H 1.0 . 4.98 487 425 A 36 LEU HD2% A 39 PHE H 1.0 . 4.10 488 426 A 36 LEU HD1% A 39 PHE H 1.0 . 3.80 489 427 A 36 LEU HD1% A 40 LEU H 1.0 . 3.10 490 428 A 40 LEU HD2% A 40 LEU H 1.0 . 3.30 491 429 A 36 LEU HD2% A 40 LEU H 1.0 . 4.60 492 430 A 40 LEU HD1% A 40 LEU H 1.0 . 3.60 493 431 A 50 LEU HD2% A 40 LEU H 1.0 . 3.56 494 432 A 40 LEU H A 40 LEU HG 1.0 . 2.90 495 433 A 38 LYS HEy A 40 LEU H 1.0 . 5.80 496 434 A 39 PHE HD% A 40 LEU H 1.0 . 4.58 497 435 A 78 TYR HE% A 40 LEU H 1.0 . 6.00 498 436 A 39 PHE HA A 40 LEU H 1.0 . 3.62 499 437 A 39 PHE H A 40 LEU H 1.0 . 2.83 500 438 A 40 LEU H A 39 PHE HB2 1.0 . 3.21 501 438 A 39 PHE HB3 A 40 LEU H 1.0 . 3.21 502 439 A 40 LEU H A 40 LEU HB3 1.0 . 3.25 503 439 A 40 LEU H A 40 LEU HB2 1.0 . 3.25 504 440 A 40 LEU H A 40 LEU HA 1.0 . 3.10 505 441 A 25 THR HB A 40 LEU H 1.0 . 5.20 506 442 A 40 LEU H A 41 GLU H 1.0 . 4.58 507 443 A 38 LYS HEy A 41 GLU H 1.0 . 5.00 508 444 A 38 LYS H A 41 GLU H 1.0 . 5.04 509 445 A 38 LYS HA A 41 GLU H 1.0 . 3.80 510 446 A 37 THR HA A 41 GLU H 1.0 . 5.37 511 447 A 41 GLU H A 39 PHE HB2 1.0 . 5.23 512 447 A 39 PHE HB3 A 41 GLU H 1.0 . 5.23 513 448 A 39 PHE HA A 41 GLU H 1.0 . 4.69 514 449 A 41 GLU H A 22 SER HBy 1.0 . 5.94 515 450 A 40 LEU HD2% A 41 GLU H 1.0 . 4.00 516 451 A 36 LEU HD1% A 41 GLU H 1.0 . 5.10 517 452 A 50 LEU HD2% A 41 GLU H 1.0 . 4.80 518 453 A 40 LEU HD1% A 41 GLU H 1.0 . 4.00 519 454 A 41 GLU H A 41 GLU HB2 1.0 . 4.00 520 454 A 41 GLU H A 41 GLU HB3 1.0 . 4.00 521 455 A 41 GLU H A 41 GLU HG2 1.0 . 3.36 522 455 A 41 GLU H A 41 GLU HG3 1.0 . 3.36 523 456 A 41 GLU H A 42 GLU H 1.0 . 2.73 524 457 A 41 GLU H A 47 GLU HA 1.0 . 5.80 525 458 A 38 LYS HEy A 42 GLU H 1.0 . 4.75 526 459 A 39 PHE HD% A 42 GLU H 1.0 . 5.12 527 460 A 39 PHE HA A 42 GLU H 1.0 . 3.95 528 461 A 42 GLU H A 41 GLU HA 1.0 . 3.71 529 462 A 40 LEU HA A 42 GLU H 1.0 . 3.90 530 463 A 38 LYS HA A 42 GLU H 1.0 . 4.88 531 464 A 42 GLU H A 41 GLU HB2 1.0 . 4.05 532 464 A 41 GLU HB3 A 42 GLU H 1.0 . 4.05 533 465 A 42 GLU H A 42 GLU HG2 1.0 . 4.56 534 465 A 42 GLU H A 42 GLU HG3 1.0 . 4.56 535 466 A 42 GLU H A 41 GLU HG2 1.0 . 4.53 536 466 A 41 GLU HG3 A 42 GLU H 1.0 . 4.53 537 467 A 42 GLU H A 42 GLU HA 1.0 . 3.10 538 468 A 42 GLU H A 42 GLU HB3 1.0 . 2.65 539 468 A 42 GLU H A 42 GLU HB2 1.0 . 2.65 540 469 A 42 GLU H A 43 TRP HB2 1.0 . 5.01 541 469 A 42 GLU H A 43 TRP HB3 1.0 . 5.01 542 470 A 39 PHE HA A 43 TRP H 1.0 . 5.00 543 471 A 40 LEU HA A 43 TRP H 1.0 . 4.47 544 472 A 41 GLU HA A 43 TRP H 1.0 . 4.80 545 473 A 43 TRP H A 40 LEU HB3 1.0 . 5.90 546 473 A 40 LEU HB2 A 43 TRP H 1.0 . 5.90 547 474 A 42 GLU H A 43 TRP H 1.0 . 2.70 548 475 A 43 TRP H A 67 PHE HZ 1.0 . 5.60 549 476 A 42 GLU HA A 43 TRP H 1.0 . 3.68 550 477 A 43 TRP H A 43 TRP HB2 1.0 . 3.76 551 477 A 43 TRP HB3 A 43 TRP H 1.0 . 3.76 552 478 A 43 TRP H A 43 TRP HD1 1.0 . 3.66 553 479 A 43 TRP H A 67 PHE HE% 1.0 . 5.50 554 480 A 40 LEU HB2 A 45 GLY H 1.0 . 5.62 555 481 A 45 GLY H A 44 PRO HB2 1.0 . 4.50 556 481 A 45 GLY H A 44 PRO HB3 1.0 . 4.50 557 482 A 45 GLY H A 44 PRO HD2 1.0 . 4.78 558 482 A 45 GLY H A 44 PRO HD3 1.0 . 4.78 559 483 A 45 GLY H A 45 GLY HA2 1.0 . 2.42 560 484 A 41 GLU HA A 45 GLY H 1.0 . 5.10 561 485 A 40 LEU HA A 45 GLY H 1.0 . 5.80 562 486 A 40 LEU HD1% A 46 GLY H 1.0 . 4.40 563 487 A 40 LEU HD2% A 46 GLY H 1.0 . 5.70 564 488 A 50 LEU HD2% A 46 GLY H 1.0 . 4.70 565 489 A 46 GLY H A 49 VAL HG2% 1.0 . 6.00 566 490 A 46 GLY H A 40 LEU HB3 1.0 . 3.87 567 490 A 40 LEU HB2 A 46 GLY H 1.0 . 3.87 568 491 A 46 GLY H A 45 GLY HA2 1.0 . 3.10 569 491 A 46 GLY H A 45 GLY HA3 1.0 . 3.10 570 492 A 45 GLY H A 46 GLY H 1.0 . 2.81 571 493 A 46 GLY H A 46 GLY HAx 1.0 . 2.91 572 494 A 47 GLU HA A 46 GLY H 1.0 . 4.76 573 495 A 46 GLY H A 47 GLU H 1.0 . 4.20 574 496 A 46 GLY H A 48 GLU HGx 1.0 . 5.51 575 497 A 46 GLY HAy A 49 VAL H 1.0 . 4.30 576 498 A 46 GLY H A 49 VAL H 1.0 . 5.10 577 499 A 49 VAL H A 51 ARG H 1.0 . 4.10 578 500 A 49 VAL H A 47 GLU HG2 1.0 . 5.95 579 501 A 47 GLU HA A 49 VAL H 1.0 . 4.42 580 502 A 49 VAL H A 48 GLU HA 1.0 . 3.51 581 503 A 49 VAL H A 48 GLU HGy 1.0 . 2.67 582 504 A 49 VAL H A 48 GLU HB2 1.0 . 4.10 583 504 A 49 VAL H A 48 GLU HB3 1.0 . 4.10 584 505 A 49 VAL H A 48 GLU H 1.0 . 4.27 585 506 A 50 LEU HD2% A 49 VAL H 1.0 . 4.40 586 507 A 49 VAL HG2% A 49 VAL H 1.0 . 3.70 587 508 A 40 LEU HD2% A 49 VAL H 1.0 . 6.00 588 509 A 49 VAL H A 50 LEU HG 1.0 . 3.78 589 510 A 49 VAL H A 50 LEU HB2 1.0 . 5.84 590 510 A 49 VAL H A 50 LEU HB3 1.0 . 5.84 591 511 A 49 VAL H A 52 GLU HG3 1.0 . 5.53 592 511 A 49 VAL H A 52 GLU HG2 1.0 . 5.53 593 512 A 49 VAL H A 49 VAL HB 1.0 . 2.60 594 513 A 50 LEU H A 40 LEU HB3 1.0 . 5.40 595 513 A 40 LEU HB2 A 50 LEU H 1.0 . 5.40 596 514 A 50 LEU H A 65 VAL HB 1.0 . 4.60 597 515 A 50 LEU H A 47 GLU HG2 1.0 . 5.88 598 516 A 47 GLU HA A 50 LEU H 1.0 . 4.25 599 517 A 48 GLU HGy A 50 LEU H 1.0 . 4.62 600 518 A 50 LEU HG A 50 LEU H 1.0 . 2.10 601 519 A 50 LEU H A 50 LEU HA 1.0 . 3.10 602 520 A 50 LEU H A 51 ARG HA 1.0 . 4.80 603 521 A 50 LEU H A 49 VAL HA 1.0 . 3.60 604 522 A 51 ARG H A 50 LEU H 1.0 . 2.20 605 523 A 50 LEU H A 52 GLU H 1.0 . 3.73 606 524 A 51 ARG H A 40 LEU HB3 1.0 . 5.49 607 525 A 51 ARG H A 65 VAL HB 1.0 . 6.00 608 526 A 51 ARG H A 47 GLU HG3 1.0 . 5.50 609 526 A 51 ARG H A 47 GLU HG2 1.0 . 5.50 610 527 A 51 ARG H A 48 GLU H 1.0 . 4.66 611 528 A 51 ARG H A 51 ARG HA 1.0 . 2.97 612 529 A 51 ARG H A 50 LEU HA 1.0 . 3.80 613 530 A 51 ARG H A 49 VAL HA 1.0 . 4.95 614 531 A 51 ARG H A 54 ALA HA 1.0 . 6.10 615 532 A 51 ARG H A 52 GLU H 1.0 . 2.93 616 533 A 51 ARG H A 52 GLU HG3 1.0 . 5.00 617 533 A 51 ARG H A 52 GLU HG2 1.0 . 5.00 618 534 A 51 ARG H A 49 VAL HB 1.0 . 5.92 619 535 A 49 VAL HG2% A 52 GLU H 1.0 . 5.60 620 536 A 50 LEU HD2% A 52 GLU H 1.0 . 6.00 621 537 A 51 ARG HA A 52 GLU H 1.0 . 3.60 622 538 A 50 LEU HA A 52 GLU H 1.0 . 3.90 623 539 A 49 VAL HA A 52 GLU H 1.0 . 4.70 624 540 A 51 ARG HE A 52 GLU H 1.0 . 5.30 625 541 A 52 GLU H A 52 GLU HB2 1.0 . 3.26 626 541 A 52 GLU H A 52 GLU HB3 1.0 . 3.26 627 542 A 19 HIS HE1 A 53 GLN H 1.0 . 6.10 628 543 A 52 GLU H A 53 GLN H 1.0 . 2.90 629 544 A 53 GLN H A 53 GLN HG2 1.0 . 3.40 630 544 A 53 GLN H A 53 GLN HG3 1.0 . 3.40 631 545 A 53 GLN H A 52 GLU HG3 1.0 . 4.80 632 545 A 52 GLU HG2 A 53 GLN H 1.0 . 4.80 633 546 A 53 GLN H A 51 ARG HDx 1.0 . 6.00 634 546 A 53 GLN H A 51 ARG HDy 1.0 . 6.00 635 547 A 53 GLN H A 53 GLN HB2 1.0 . 3.41 636 547 A 53 GLN H A 53 GLN HB3 1.0 . 3.41 637 548 A 53 GLN H A 53 GLN HA 1.0 . 3.10 638 549 A 50 LEU HA A 53 GLN H 1.0 . 3.90 639 550 A 54 ALA HA A 53 GLN H 1.0 . 4.40 640 551 A 51 ARG HA A 53 GLN H 1.0 . 4.15 641 552 A 53 GLN H A 61 ASN HD22 1.0 . 5.90 642 553 A 51 ARG HA A 54 ALA H 1.0 . 4.10 643 554 A 53 GLN HA A 54 ALA H 1.0 . 2.48 644 555 A 50 LEU HA A 54 ALA H 1.0 . 5.20 645 556 A 54 ALA HA A 54 ALA H 1.0 . 3.00 646 557 A 55 GLY HAx A 54 ALA H 1.0 . 5.50 647 558 A 54 ALA H A 55 GLY H 1.0 . 4.62 648 559 A 55 GLY HAx A 55 GLY H 1.0 . 2.90 649 560 A 55 GLY HAy A 55 GLY H 1.0 . 2.30 650 561 A 55 GLY H A 56 GLY HAx 1.0 . 5.35 651 562 A 55 GLY H A 56 GLY HAy 1.0 . 4.91 652 563 A 55 GLY HAx A 56 GLY H 1.0 . 3.40 653 564 A 56 GLY HAy A 56 GLY H 1.0 . 2.58 654 565 A 27 VAL HA A 57 ASP H 1.0 . 4.82 655 566 A 28 ILE H A 57 ASP H 1.0 . 4.27 656 567 A 57 ASP H A 53 GLN HE22 1.0 . 6.10 657 568 A 55 GLY HAx A 57 ASP H 1.0 . 5.86 658 569 A 58 ALA HA A 57 ASP H 1.0 . 5.20 659 570 A 56 GLY HAy A 57 ASP H 1.0 . 2.56 660 571 A 57 ASP H A 57 ASP HB2 1.0 . 3.63 661 571 A 57 ASP H A 57 ASP HB3 1.0 . 3.63 662 572 A 57 ASP HA A 57 ASP H 1.0 . 3.10 663 573 A 58 ALA H A 57 ASP H 1.0 . 4.58 664 574 A 55 GLY H A 57 ASP H 1.0 . 5.00 665 575 A 57 ASP H A 61 ASN HD21 1.0 . 5.20 666 576 A 57 ASP H A 61 ASN HB2 1.0 . 5.30 667 576 A 57 ASP H A 61 ASN HB3 1.0 . 5.30 668 577 A 58 ALA H A 58 ALA HA 1.0 . 3.00 669 578 A 58 ALA H A 58 ALA HB% 1.0 . 3.00 670 579 A 58 ALA H A 59 THR HG1 1.0 . 3.67 671 580 A 58 ALA H A 60 GLU HB2 1.0 . 5.45 672 580 A 58 ALA H A 60 GLU HB3 1.0 . 5.45 673 581 A 58 ALA H A 61 ASN HB2 1.0 . 3.90 674 581 A 58 ALA H A 61 ASN HB3 1.0 . 3.90 675 582 A 58 ALA H A 61 ASN H 1.0 . 3.60 676 583 A 58 ALA H A 57 ASP H 1.0 . 4.60 677 584 A 58 ALA H A 61 ASN HA 1.0 . 5.90 678 585 A 58 ALA H A 29 LEU HA 1.0 . 3.20 679 586 A 57 ASP HA A 58 ALA H 1.0 . 2.60 680 587 A 28 ILE H A 59 THR H 1.0 . 5.57 681 588 A 29 LEU HG A 59 THR H 1.0 . 5.44 682 589 A 29 LEU H A 59 THR H 1.0 . 5.10 683 590 A 30 HIS H A 59 THR H 1.0 . 5.64 684 591 A 57 ASP HA A 59 THR H 1.0 . 4.11 685 592 A 59 THR H A 58 ALA HB% 1.0 . 3.40 686 593 A 59 THR H A 59 THR HA 1.0 . 3.00 687 594 A 59 THR H A 59 THR HG1 1.0 . 2.79 688 595 A 59 THR H A 59 THR HG2% 1.0 . 3.65 689 596 A 59 THR H A 59 THR HB 1.0 . 3.50 690 597 A 59 THR H A 60 GLU HB2 1.0 . 5.43 691 597 A 59 THR H A 60 GLU HB3 1.0 . 5.43 692 598 A 59 THR H A 61 ASN HB2 1.0 . 4.72 693 598 A 59 THR H A 61 ASN HB3 1.0 . 4.72 694 599 A 61 ASN H A 59 THR HA 1.0 . 4.28 695 600 A 58 ALA H A 61 ASN H 1.0 . 3.54 696 601 A 59 THR HG1 A 61 ASN H 1.0 . 5.15 697 602 A 61 ASN H A 60 GLU HB2 1.0 . 3.98 698 602 A 60 GLU HB3 A 61 ASN H 1.0 . 3.98 699 603 A 61 ASN H A 60 GLU HA 1.0 . 3.42 700 604 A 61 ASN H A 60 GLU HG2 1.0 . 5.16 701 604 A 61 ASN H A 60 GLU HG3 1.0 . 5.16 702 605 A 61 ASN H A 61 ASN HA 1.0 . 3.10 703 606 A 57 ASP HA A 61 ASN H 1.0 . 5.80 704 607 A 29 LEU HA A 61 ASN H 1.0 . 5.80 705 608 A 61 ASN H A 61 ASN HB2 1.0 . 2.86 706 608 A 61 ASN HB3 A 61 ASN H 1.0 . 2.86 707 609 A 61 ASN H A 62 PHE HB3 1.0 . 4.91 708 610 A 61 ASN H A 62 PHE HB2 1.0 . 5.70 709 611 A 61 ASN H A 62 PHE H 1.0 . 2.76 710 612 A 61 ASN H A 64 ASP H 1.0 . 4.80 711 613 A 27 VAL HB A 62 PHE H 1.0 . 5.80 712 614 A 36 LEU HD2% A 62 PHE H 1.0 . 5.70 713 615 A 62 PHE H A 65 VAL HG1% 1.0 . 5.72 714 616 A 62 PHE H A 65 VAL HG2% 1.0 . 4.10 715 617 A 58 ALA HA A 62 PHE H 1.0 . 3.00 716 618 A 59 THR HA A 62 PHE H 1.0 . 5.20 717 619 A 62 PHE H A 60 GLU H 1.0 . 4.14 718 620 A 61 ASN HA A 62 PHE H 1.0 . 3.60 719 621 A 29 LEU HA A 62 PHE H 1.0 . 6.10 720 622 A 62 PHE H A 62 PHE HD% 1.0 . 2.89 721 623 A 62 PHE H A 62 PHE HE% 1.0 . 4.89 722 624 A 62 PHE H A 62 PHE HB3 1.0 . 2.90 723 624 A 62 PHE H A 62 PHE HB2 1.0 . 2.90 724 625 A 62 PHE H A 62 PHE HA 1.0 . 2.98 725 626 A 62 PHE H A 64 ASP H 1.0 . 4.46 726 627 A 60 GLU HA A 64 ASP H 1.0 . 5.00 727 628 A 64 ASP H A 65 VAL HA 1.0 . 5.40 728 629 A 61 ASN HD22 A 64 ASP H 1.0 . 5.70 729 630 A 61 ASN HA A 64 ASP H 1.0 . 3.20 730 631 A 61 ASN HD21 A 64 ASP H 1.0 . 5.34 731 632 A 64 ASP H A 61 ASN HB2 1.0 . 5.54 732 632 A 61 ASN HB3 A 64 ASP H 1.0 . 5.54 733 633 A 64 ASP H A 62 PHE HD% 1.0 . 4.62 734 634 A 64 ASP H A 63 GLU HB2 1.0 . 3.10 735 634 A 64 ASP H A 63 GLU HB3 1.0 . 3.10 736 635 A 64 ASP H A 64 ASP HB2 1.0 . 2.68 737 636 A 64 ASP H A 71 ALA HB% 1.0 . 6.10 738 637 A 64 ASP H A 65 VAL H 1.0 . 2.81 739 638 A 62 PHE H A 65 VAL H 1.0 . 4.90 740 639 A 65 VAL H A 61 ASN HB2 1.0 . 5.43 741 639 A 61 ASN HB3 A 65 VAL H 1.0 . 5.43 742 640 A 65 VAL H A 64 ASP HA 1.0 . 3.60 743 641 A 62 PHE HA A 65 VAL H 1.0 . 4.10 744 642 A 65 VAL HA A 65 VAL H 1.0 . 3.10 745 643 A 65 VAL HG1% A 65 VAL H 1.0 . 2.43 746 644 A 65 VAL HG2% A 65 VAL H 1.0 . 2.20 747 645 A 49 VAL HG2% A 65 VAL H 1.0 . 4.80 748 646 A 50 LEU HD2% A 65 VAL H 1.0 . 5.70 749 647 A 65 VAL HB A 65 VAL H 1.0 . 3.90 750 648 A 61 ASN HA A 66 GLY H 1.0 . 5.70 751 649 A 66 GLY H A 67 PHE HA 1.0 . 5.70 752 650 A 65 VAL HB A 66 GLY H 1.0 . 4.16 753 651 A 65 VAL H A 66 GLY H 1.0 . 2.10 754 652 A 66 GLY H A 67 PHE H 1.0 . 4.70 755 653 A 62 PHE HA A 66 GLY H 1.0 . 3.80 756 654 A 64 ASP HA A 66 GLY H 1.0 . 4.80 757 655 A 66 GLY H A 63 GLU HA 1.0 . 3.30 758 656 A 65 VAL HA A 66 GLY H 1.0 . 3.60 759 657 A 65 VAL HG1% A 66 GLY H 1.0 . 3.70 760 658 A 65 VAL HG2% A 66 GLY H 1.0 . 4.00 761 659 A 49 VAL HG2% A 66 GLY H 1.0 . 5.10 762 660 A 50 LEU HD2% A 66 GLY H 1.0 . 5.40 763 661 A 66 GLY H A 66 GLY HA2 1.0 . 2.83 764 661 A 66 GLY H A 66 GLY HA3 1.0 . 2.83 765 662 A 67 PHE H A 63 GLU HA 1.0 . 5.46 766 663 A 65 VAL HG2% A 67 PHE H 1.0 . 5.32 767 664 A 67 PHE HE% A 67 PHE H 1.0 . 4.60 768 665 A 67 PHE HA A 67 PHE H 1.0 . 3.10 769 666 A 67 PHE H A 71 ALA HA 1.0 . 5.10 770 667 A 67 PHE H A 67 PHE HD% 1.0 . 2.99 771 668 A 67 PHE H A 43 TRP HE3 1.0 . 6.00 772 669 A 67 PHE H A 67 PHE HBy 1.0 . 3.45 773 670 A 67 PHE H A 67 PHE HBx 1.0 . 3.90 774 671 A 67 PHE H A 68 SER HG 1.0 . 6.10 775 672 A 67 PHE H A 68 SER HB2 1.0 . 6.00 776 672 A 67 PHE H A 68 SER HB3 1.0 . 6.00 777 673 A 67 PHE H A 70 ASP H 1.0 . 6.10 778 674 A 67 PHE H A 71 ALA H 1.0 . 4.52 779 675 A 66 GLY H A 67 PHE H 1.0 . 4.70 780 676 A 70 ASP H A 69 THR HA 1.0 . 3.67 781 677 A 70 ASP H A 68 SER HA 1.0 . 4.85 782 678 A 70 ASP H A 70 ASP HA 1.0 . 2.85 783 679 A 71 ALA HA A 70 ASP H 1.0 . 5.40 784 680 A 67 PHE HBx A 71 ALA H 1.0 . 5.90 785 681 A 71 ALA H A 69 THR HG2% 1.0 . 5.10 786 682 A 71 ALA H A 69 THR HA 1.0 . 4.10 787 683 A 71 ALA H A 70 ASP HB2 1.0 . 3.38 788 683 A 71 ALA H A 70 ASP HB3 1.0 . 3.38 789 684 A 71 ALA HA A 71 ALA H 1.0 . 3.10 790 685 A 71 ALA H A 70 ASP HA 1.0 . 3.60 791 686 A 67 PHE HA A 71 ALA H 1.0 . 5.80 792 687 A 71 ALA H A 72 ARG H 1.0 . 2.67 793 688 A 67 PHE H A 71 ALA H 1.0 . 4.60 794 689 A 72 ARG H A 70 ASP HB2 1.0 . 5.39 795 689 A 70 ASP HB3 A 72 ARG H 1.0 . 5.39 796 690 A 62 PHE HD% A 72 ARG H 1.0 . 4.51 797 691 A 72 ARG H A 39 PHE HZ 1.0 . 5.62 798 692 A 62 PHE HE% A 72 ARG H 1.0 . 3.95 799 693 A 72 ARG H A 63 GLU HG2 1.0 . 5.67 800 693 A 72 ARG H A 63 GLU HG3 1.0 . 5.67 801 694 A 63 GLU HA A 72 ARG H 1.0 . 6.10 802 695 A 72 ARG H A 69 THR HG1 1.0 . 6.10 803 696 A 72 ARG H A 73 GLU HA 1.0 . 5.20 804 697 A 69 THR HA A 72 ARG H 1.0 . 3.39 805 698 A 71 ALA HA A 72 ARG H 1.0 . 3.55 806 699 A 70 ASP HA A 72 ARG H 1.0 . 4.20 807 700 A 72 ARG H A 72 ARG HB2 1.0 . 3.00 808 700 A 72 ARG H A 72 ARG HB3 1.0 . 3.00 809 701 A 72 ARG H A 72 ARG HG2 1.0 . 2.91 810 701 A 72 ARG H A 72 ARG HG3 1.0 . 2.91 811 702 A 72 ARG H A 72 ARG HA 1.0 . 3.10 812 703 A 72 ARG H A 69 THR HB 1.0 . 5.10 813 704 A 72 ARG H A 72 ARG HD2 1.0 . 4.00 814 704 A 72 ARG H A 72 ARG HD3 1.0 . 4.00 815 705 A 72 ARG H A 73 GLU HG2 1.0 . 4.40 816 705 A 72 ARG H A 73 GLU HG3 1.0 . 4.40 817 706 A 72 ARG H A 75 SER HB3 1.0 . 5.85 818 706 A 72 ARG H A 75 SER HB2 1.0 . 5.85 819 707 A 72 ARG H A 75 SER H 1.0 . 5.00 820 708 A 75 SER H A 74 LEU HA 1.0 . 3.67 821 709 A 72 ARG HA A 75 SER H 1.0 . 4.50 822 710 A 62 PHE HB2 A 75 SER H 1.0 . 5.60 823 711 A 71 ALA HA A 75 SER H 1.0 . 3.40 824 712 A 75 SER H A 73 GLU HG2 1.0 . 5.46 825 712 A 73 GLU HG3 A 75 SER H 1.0 . 5.46 826 713 A 73 GLU HA A 75 SER H 1.0 . 5.10 827 714 A 75 SER H A 74 LEU H 1.0 . 2.66 828 715 A 75 SER H A 74 LEU HB3 1.0 . 3.38 829 715 A 75 SER H A 74 LEU HB2 1.0 . 3.38 830 716 A 75 SER H A 75 SER HG 1.0 . 3.00 831 717 A 75 SER H A 75 SER HA 1.0 . 3.10 832 718 A 75 SER H A 75 SER HB3 1.0 . 2.50 833 718 A 75 SER HB2 A 75 SER H 1.0 . 2.50 834 719 A 75 SER H A 76 LYS HA 1.0 . 5.40 835 720 A 75 SER H A 76 LYS HB2 1.0 . 4.57 836 721 A 75 SER H A 76 LYS H 1.0 . 2.77 837 722 A 78 TYR HB2 A 75 SER H 1.0 . 5.20 838 723 A 75 SER H A 78 TYR H 1.0 . 4.88 839 724 A 62 PHE HE% A 75 SER H 1.0 . 5.20 840 725 A 62 PHE HD% A 76 LYS H 1.0 . 5.83 841 726 A 39 PHE HZ A 76 LYS H 1.0 . 6.00 842 727 A 71 ALA HA A 76 LYS H 1.0 . 6.00 843 728 A 73 GLU HA A 76 LYS H 1.0 . 3.65 844 729 A 75 SER HG A 76 LYS H 1.0 . 3.00 845 730 A 75 SER HA A 76 LYS H 1.0 . 3.63 846 731 A 76 LYS HA A 76 LYS H 1.0 . 3.10 847 732 A 76 LYS H A 76 LYS HB2 1.0 . 2.61 848 732 A 76 LYS H A 76 LYS HB3 1.0 . 2.61 849 733 A 76 LYS H A 76 LYS HG2 1.0 . 3.51 850 733 A 76 LYS H A 76 LYS HG3 1.0 . 3.51 851 734 A 71 ALA HB% A 76 LYS H 1.0 . 6.00 852 735 A 76 LYS H A 76 LYS HD2 1.0 . 4.94 853 735 A 76 LYS H A 76 LYS HD3 1.0 . 4.94 854 736 A 76 LYS H A 77 LYS HD2 1.0 . 5.20 855 736 A 76 LYS H A 77 LYS HD3 1.0 . 5.20 856 737 A 78 TYR HB2 A 76 LYS H 1.0 . 5.40 857 738 A 76 LYS H A 76 LYS HE2 1.0 . 5.40 858 738 A 76 LYS H A 76 LYS HE3 1.0 . 5.40 859 739 A 34 TYR HD% A 77 LYS H 1.0 . 4.90 860 740 A 79 ILE H A 77 LYS H 1.0 . 5.80 861 741 A 78 TYR HE% A 77 LYS H 1.0 . 5.50 862 742 A 75 SER H A 77 LYS H 1.0 . 4.10 863 743 A 77 LYS H A 77 LYS HG2 1.0 . 3.10 864 743 A 77 LYS H A 77 LYS HG3 1.0 . 3.10 865 744 A 77 LYS H A 77 LYS HE2 1.0 . 4.99 866 744 A 77 LYS H A 77 LYS HE3 1.0 . 4.99 867 745 A 77 LYS H A 77 LYS HA 1.0 . 3.10 868 746 A 77 LYS H A 75 SER HB3 1.0 . 5.10 869 746 A 75 SER HB2 A 77 LYS H 1.0 . 5.10 870 747 A 77 LYS H A 77 LYS HD2 1.0 . 4.00 871 747 A 77 LYS HD3 A 77 LYS H 1.0 . 4.00 872 748 A 77 LYS H A 76 LYS HD2 1.0 . 5.30 873 748 A 76 LYS HD3 A 77 LYS H 1.0 . 5.30 874 749 A 77 LYS H A 77 LYS HB2 1.0 . 2.95 875 749 A 77 LYS H A 77 LYS HB3 1.0 . 2.95 876 750 A 78 TYR HA A 77 LYS H 1.0 . 4.90 877 751 A 77 LYS H A 78 TYR HB3 1.0 . 5.20 878 751 A 78 TYR HB2 A 77 LYS H 1.0 . 5.20 879 752 A 77 LYS H A 76 LYS HE2 1.0 . 5.30 880 752 A 76 LYS HE3 A 77 LYS H 1.0 . 5.30 881 753 A 34 TYR HBx A 78 TYR H 1.0 . 6.10 882 754 A 78 TYR H A 35 ASP HB3 1.0 . 5.80 883 755 A 35 ASP H A 78 TYR H 1.0 . 5.25 884 756 A 74 LEU HA A 78 TYR H 1.0 . 4.95 885 757 A 79 ILE HA A 78 TYR H 1.0 . 5.40 886 758 A 76 LYS HA A 78 TYR H 1.0 . 4.18 887 759 A 78 TYR H A 77 LYS HD2 1.0 . 4.90 888 759 A 78 TYR H A 77 LYS HD3 1.0 . 4.90 889 760 A 78 TYR H A 77 LYS H 1.0 . 2.33 890 761 A 76 LYS H A 78 TYR H 1.0 . 4.20 891 762 A 78 TYR H A 78 TYR HD% 1.0 . 3.10 892 763 A 78 TYR HA A 78 TYR H 1.0 . 3.10 893 764 A 79 ILE HB A 78 TYR H 1.0 . 5.50 894 765 A 34 TYR HBy A 78 TYR H 1.0 . 4.60 895 766 A 78 TYR H A 74 LEU HB3 1.0 . 6.10 896 767 A 79 ILE H A 78 TYR H 1.0 . 4.20 897 768 A 34 TYR HD% A 78 TYR H 1.0 . 3.90 898 769 A 78 TYR HE% A 78 TYR H 1.0 . 4.92 899 770 A 79 ILE H A 78 TYR H 1.0 . 4.20 900 771 A 79 ILE H A 77 LYS H 1.0 . 5.80 901 772 A 34 TYR HA A 79 ILE H 1.0 . 5.00 902 773 A 79 ILE H A 35 ASP HB3 1.0 . 5.00 903 773 A 79 ILE H A 35 ASP HB2 1.0 . 5.00 904 774 A 79 ILE H A 77 LYS HA 1.0 . 4.60 905 775 A 79 ILE H A 78 TYR HB3 1.0 . 4.31 906 775 A 79 ILE H A 78 TYR HB2 1.0 . 4.31 907 776 A 79 ILE H A 78 TYR HA 1.0 . 3.00 908 777 A 79 ILE H A 80 ILE HA 1.0 . 5.10 909 778 A 79 ILE HB A 79 ILE H 1.0 . 3.20 910 779 A 34 TYR HBy A 79 ILE H 1.0 . 5.30 911 780 A 79 ILE H A 79 ILE HG12 1.0 . 4.50 912 780 A 79 ILE H A 79 ILE HG13 1.0 . 4.50 913 781 A 79 ILE H A 79 ILE HG2% 1.0 . 2.10 914 782 A 79 ILE H A 79 ILE HD1% 1.0 . 4.39 915 783 A 79 ILE H A 79 ILE HA 1.0 . 3.10 916 784 A 80 ILE H A 79 ILE H 1.0 . 4.40 917 785 A 34 TYR HD% A 80 ILE H 1.0 . 5.00 918 786 A 26 TRP HD1 A 80 ILE H 1.0 . 6.00 919 787 A 11 TYR HD% A 80 ILE H 1.0 . 6.00 920 788 A 80 ILE H A 79 ILE HB 1.0 . 4.32 921 789 A 80 ILE H A 34 TYR HBy 1.0 . 4.70 922 790 A 80 ILE H A 79 ILE HA 1.0 . 2.20 923 791 A 33 VAL HA A 80 ILE H 1.0 . 6.00 924 792 A 33 VAL HB A 80 ILE H 1.0 . 6.00 925 793 A 80 ILE H A 33 VAL HGy% 1.0 . 4.40 926 794 A 80 ILE H A 34 TYR HA 1.0 . 2.83 927 795 A 80 ILE H A 79 ILE HG2% 1.0 . 4.28 928 796 A 80 ILE H A 80 ILE HB 1.0 . 3.10 929 797 A 80 ILE H A 80 ILE HG2% 1.0 . 2.00 930 798 A 80 ILE H A 80 ILE HA 1.0 . 3.10 931 799 A 80 ILE H A 78 TYR HA 1.0 . 5.80 932 800 A 80 ILE H A 80 ILE HG12 1.0 . 4.74 933 800 A 80 ILE H A 80 ILE HG13 1.0 . 4.74 934 801 A 80 ILE H A 81 GLY HAx 1.0 . 4.60 935 801 A 80 ILE H A 81 GLY HAy 1.0 . 4.60 936 802 A 11 TYR HE% A 81 GLY H 1.0 . 4.94 937 803 A 32 LYS HB3 A 81 GLY H 1.0 . 6.00 938 804 A 81 GLY H A 32 LYS HD3 1.0 . 5.40 939 804 A 32 LYS HD2 A 81 GLY H 1.0 . 5.40 940 805 A 32 LYS HA A 81 GLY H 1.0 . 6.00 941 806 A 33 VAL HA A 81 GLY H 1.0 . 5.70 942 807 A 33 VAL H A 81 GLY H 1.0 . 4.20 943 808 A 9 LYS H A 81 GLY H 1.0 . 5.00 944 809 A 35 ASP H A 81 GLY H 1.0 . 5.40 945 810 A 33 VAL HB A 81 GLY H 1.0 . 4.89 946 811 A 33 VAL HGy% A 81 GLY H 1.0 . 4.10 947 812 A 8 VAL HGy% A 81 GLY H 1.0 . 6.00 948 813 A 34 TYR HA A 81 GLY H 1.0 . 4.10 949 814 A 79 ILE HB A 81 GLY H 1.0 . 5.15 950 815 A 34 TYR HBy A 81 GLY H 1.0 . 6.00 951 816 A 79 ILE H A 81 GLY H 1.0 . 6.00 952 817 A 79 ILE HA A 81 GLY H 1.0 . 4.48 953 818 A 79 ILE HG2% A 81 GLY H 1.0 . 4.90 954 819 A 80 ILE HB A 81 GLY H 1.0 . 4.20 955 820 A 32 LYS HB3 A 81 GLY H 1.0 . 6.00 956 821 A 81 GLY H A 82 GLU HB3 1.0 . 5.80 957 822 A 81 GLY H A 9 LYS HB2 1.0 . 5.50 958 823 A 80 ILE H A 81 GLY H 1.0 . 2.00 959 824 A 83 LEU H A 81 GLY H 1.0 . 6.10 960 825 A 80 ILE HA A 81 GLY H 1.0 . 4.63 961 826 A 81 GLY H A 80 ILE HG12 1.0 . 4.45 962 826 A 80 ILE HG13 A 81 GLY H 1.0 . 4.45 963 827 A 81 GLY H A 81 GLY HAx 1.0 . 2.91 964 827 A 81 GLY HAy A 81 GLY H 1.0 . 2.91 965 828 A 82 GLU HA A 81 GLY H 1.0 . 4.80 966 829 A 32 LYS HA A 82 GLU H 1.0 . 4.98 967 830 A 82 GLU H A 81 GLY HAx 1.0 . 2.50 968 830 A 81 GLY HAy A 82 GLU H 1.0 . 2.50 969 831 A 82 GLU HA A 82 GLU H 1.0 . 3.10 970 832 A 82 GLU H A 82 GLU HG2 1.0 . 2.58 971 832 A 82 GLU HG3 A 82 GLU H 1.0 . 2.58 972 833 A 10 TYR HB3 A 82 GLU H 1.0 . 5.95 973 834 A 82 GLU H A 9 LYS HB2 1.0 . 4.84 974 834 A 9 LYS HB3 A 82 GLU H 1.0 . 4.84 975 835 A 82 GLU H A 82 GLU HB3 1.0 . 3.60 976 835 A 82 GLU HB2 A 82 GLU H 1.0 . 3.60 977 836 A 11 TYR HE% A 82 GLU H 1.0 . 5.53 978 837 A 11 TYR H A 82 GLU H 1.0 . 3.45 979 838 A 11 TYR HD% A 82 GLU H 1.0 . 3.75 980 839 A 10 TYR HD% A 82 GLU H 1.0 . 5.55 981 840 A 11 TYR HD% A 83 LEU H 1.0 . 5.86 982 841 A 28 ILE HG2% A 83 LEU H 1.0 . 4.15 983 842 A 29 LEU HD2% A 83 LEU H 1.0 . 4.80 984 843 A 16 ILE HD1% A 83 LEU H 1.0 . 6.00 985 844 A 13 LEU HD1% A 83 LEU H 1.0 . 5.90 986 845 A 10 TYR HA A 83 LEU H 1.0 . 5.57 987 846 A 83 LEU HA A 83 LEU H 1.0 . 3.00 988 847 A 30 HIS H A 83 LEU H 1.0 . 5.76 989 848 A 83 LEU H A 31 HIS HA 1.0 . 4.52 990 849 A 83 LEU H A 32 LYS HA 1.0 . 2.12 991 850 A 83 LEU H A 81 GLY HAy 1.0 . 5.40 992 851 A 83 LEU H A 32 LYS HB2 1.0 . 4.48 993 851 A 83 LEU H A 32 LYS HB3 1.0 . 4.48 994 852 A 83 LEU H A 33 VAL H 1.0 . 2.40 995 853 A 83 LEU HG A 83 LEU H 1.0 . 4.68 996 854 A 83 LEU H A 82 GLU HB3 1.0 . 3.90 997 854 A 82 GLU HB2 A 83 LEU H 1.0 . 3.90 998 855 A 28 ILE HB A 83 LEU H 1.0 . 4.40 999 856 A 83 LEU H A 83 LEU HB3 1.0 . 2.52 1000 856 A 83 LEU H A 83 LEU HB2 1.0 . 2.52 1001 857 A 10 TYR HD% A 84 HIS H 1.0 . 5.54 1002 858 A 84 HIS HD2 A 84 HIS H 1.0 . 3.80 1003 859 A 10 TYR HA A 84 HIS H 1.0 . 5.10 1004 860 A 11 TYR H A 84 HIS H 1.0 . 4.14 1005 861 A 11 TYR HA A 84 HIS H 1.0 . 5.10 1006 862 A 11 TYR HBy A 84 HIS H 1.0 . 4.20 1007 863 A 12 THR HB A 84 HIS H 1.0 . 5.50 1008 864 A 13 LEU H A 84 HIS H 1.0 . 4.28 1009 865 A 83 LEU HG A 84 HIS H 1.0 . 4.69 1010 866 A 84 HIS H A 84 HIS HB2 1.0 . 3.04 1011 866 A 84 HIS H A 84 HIS HB3 1.0 . 3.04 1012 867 A 84 HIS H A 84 HIS HA 1.0 . 3.10 1013 868 A 12 THR HA A 84 HIS H 1.0 . 2.95 1014 869 A 84 HIS HD1 A 84 HIS H 1.0 . 4.85 1015 870 A 84 HIS H A 85 PRO HA 1.0 . 5.87 1016 871 A 12 THR HG2% A 84 HIS H 1.0 . 4.48 1017 872 A 87 ASP HBy A 84 HIS H 1.0 . 3.54 1018 873 A 86 ASP H A 84 HIS HB2 1.0 . 3.86 1019 873 A 84 HIS HB3 A 86 ASP H 1.0 . 3.86 1020 874 A 86 ASP H A 85 PRO HB2 1.0 . 4.00 1021 874 A 86 ASP H A 85 PRO HB3 1.0 . 4.00 1022 875 A 86 ASP H A 85 PRO HG2 1.0 . 3.88 1023 875 A 86 ASP H A 85 PRO HG3 1.0 . 3.88 1024 876 A 86 ASP H A 85 PRO HD2 1.0 . 3.39 1025 876 A 86 ASP H A 85 PRO HD3 1.0 . 3.39 1026 877 A 86 ASP H A 86 ASP HA 1.0 . 3.10 1027 878 A 86 ASP H A 86 ASP HB3 1.0 . 2.71 1028 878 A 86 ASP H A 86 ASP HB2 1.0 . 2.71 1029 879 A 87 ASP HBy A 86 ASP H 1.0 . 4.15 1030 880 A 86 ASP H A 87 ASP HA 1.0 . 5.00 1031 881 A 86 ASP H A 88 ARG HE 1.0 . 5.25 1032 882 A 86 ASP H A 89 SER HB3 1.0 . 6.10 1033 883 A 85 PRO HA A 87 ASP H 1.0 . 4.27 1034 884 A 12 THR HG2% A 87 ASP H 1.0 . 5.81 1035 885 A 12 THR HB A 87 ASP H 1.0 . 5.92 1036 886 A 87 ASP H A 88 ARG HA 1.0 . 5.00 1037 887 A 31 HIS HD2 A 87 ASP H 1.0 . 6.00 1038 888 A 83 LEU HD1% A 87 ASP H 1.0 . 3.51 1039 889 A 83 LEU HD2% A 87 ASP H 1.0 . 5.20 1040 890 A 84 HIS HA A 87 ASP H 1.0 . 4.44 1041 891 A 12 THR HA A 87 ASP H 1.0 . 5.50 1042 892 A 87 ASP H A 84 HIS HB2 1.0 . 2.87 1043 892 A 84 HIS HB3 A 87 ASP H 1.0 . 2.87 1044 893 A 87 ASP H A 85 PRO HD2 1.0 . 4.83 1045 893 A 85 PRO HD3 A 87 ASP H 1.0 . 4.83 1046 894 A 86 ASP H A 87 ASP H 1.0 . 2.24 1047 895 A 86 ASP HA A 87 ASP H 1.0 . 3.44 1048 896 A 87 ASP HBy A 87 ASP H 1.0 . 2.36 1049 897 A 87 ASP H A 86 ASP HB3 1.0 . 3.60 1050 897 A 86 ASP HB2 A 87 ASP H 1.0 . 3.60 1051 898 A 87 ASP HA A 87 ASP H 1.0 . 3.10 1052 899 A 87 ASP HBx A 87 ASP H 1.0 . 3.54 1053 900 A 87 ASP H A 88 ARG HG3 1.0 . 4.00 1054 900 A 87 ASP H A 88 ARG HG2 1.0 . 4.00 1055 901 A 87 ASP H A 89 SER HB3 1.0 . 5.72 1056 902 A 87 ASP H A 90 LYS HB2 1.0 . 4.81 1057 902 A 87 ASP H A 90 LYS HB3 1.0 . 4.81 1058 903 A 87 ASP H A 88 ARG HB3 1.0 . 4.80 1059 904 A 87 ASP HBx A 88 ARG H 1.0 . 3.48 1060 905 A 85 PRO HA A 88 ARG H 1.0 . 4.01 1061 906 A 83 LEU HD1% A 88 ARG H 1.0 . 2.65 1062 907 A 83 LEU HD2% A 88 ARG H 1.0 . 4.80 1063 908 A 84 HIS HA A 88 ARG H 1.0 . 5.37 1064 909 A 12 THR HA A 88 ARG H 1.0 . 6.00 1065 910 A 86 ASP HA A 88 ARG H 1.0 . 4.55 1066 911 A 87 ASP H A 88 ARG H 1.0 . 2.29 1067 912 A 87 ASP HA A 88 ARG H 1.0 . 3.59 1068 913 A 88 ARG HA A 88 ARG H 1.0 . 2.94 1069 914 A 31 HIS HA A 88 ARG H 1.0 . 5.40 1070 915 A 88 ARG H A 88 ARG HD3 1.0 . 4.49 1071 915 A 88 ARG H A 88 ARG HD2 1.0 . 4.49 1072 916 A 87 ASP HBy A 88 ARG H 1.0 . 3.10 1073 917 A 88 ARG H A 86 ASP HB3 1.0 . 5.40 1074 917 A 86 ASP HB2 A 88 ARG H 1.0 . 5.40 1075 918 A 88 ARG H A 88 ARG HG3 1.0 . 2.85 1076 918 A 88 ARG HG2 A 88 ARG H 1.0 . 2.85 1077 919 A 88 ARG H A 89 SER HB3 1.0 . 5.25 1078 919 A 88 ARG H A 89 SER HB2 1.0 . 5.25 1079 920 A 88 ARG H A 89 SER H 1.0 . 2.80 1080 921 A 88 ARG H A 89 SER HA 1.0 . 5.53 1081 922 A 88 ARG H A 90 LYS HB2 1.0 . 5.11 1082 922 A 90 LYS HB3 A 88 ARG H 1.0 . 5.11 1083 923 A 88 ARG H A 88 ARG HB3 1.0 . 3.00 1084 923 A 88 ARG H A 88 ARG HB2 1.0 . 3.00 1085 924 A 83 LEU HG A 88 ARG H 1.0 . 5.20 1086 925 A 88 ARG HA A 89 SER H 1.0 . 3.77 1087 926 A 86 ASP HA A 89 SER H 1.0 . 4.06 1088 927 A 87 ASP HA A 89 SER H 1.0 . 4.39 1089 928 A 89 SER H A 89 SER HA 1.0 . 3.10 1090 929 A 89 SER H A 89 SER HB3 1.0 . 2.82 1091 929 A 89 SER HB2 A 89 SER H 1.0 . 2.82 1092 930 A 89 SER H A 89 SER HG 1.0 . 4.33 1093 931 A 89 SER H A 90 LYS HB2 1.0 . 4.58 1094 931 A 90 LYS HB3 A 89 SER H 1.0 . 4.58 1095 932 A 89 SER H A 88 ARG HB3 1.0 . 3.90 1096 932 A 89 SER H A 88 ARG HB2 1.0 . 3.90 1097 933 A 86 ASP HA A 90 LYS H 1.0 . 4.35 1098 934 A 87 ASP HBy A 90 LYS H 1.0 . 5.27 1099 935 A 88 ARG HD2 A 90 LYS H 1.0 . 5.25 1100 936 A 90 LYS H A 86 ASP HB3 1.0 . 5.85 1101 937 A 87 ASP HA A 90 LYS H 1.0 . 3.32 1102 938 A 87 ASP HBx A 90 LYS H 1.0 . 4.95 1103 939 A 88 ARG HA A 90 LYS H 1.0 . 4.89 1104 940 A 88 ARG H A 90 LYS H 1.0 . 4.00 1105 941 A 89 SER HG A 90 LYS H 1.0 . 3.95 1106 942 A 89 SER H A 90 LYS H 1.0 . 2.31 1107 943 A 90 LYS H A 89 SER HB3 1.0 . 3.52 1108 943 A 89 SER HB2 A 90 LYS H 1.0 . 3.52 1109 944 A 90 LYS H A 90 LYS HB2 1.0 . 2.43 1110 944 A 90 LYS HB3 A 90 LYS H 1.0 . 2.43 1111 945 A 90 LYS H A 88 ARG HB3 1.0 . 5.80 1112 945 A 88 ARG HB2 A 90 LYS H 1.0 . 5.80 1113 946 A 90 LYS H A 90 LYS HD2 1.0 . 4.85 1114 946 A 90 LYS H A 90 LYS HD3 1.0 . 4.85 1115 947 A 90 LYS H A 90 LYS HA 1.0 . 3.00 1116 948 A 90 LYS H A 91 ILE HA 1.0 . 5.60 1117 949 A 90 LYS H A 91 ILE H 1.0 . 3.10 1118 950 A 91 ILE HB A 90 LYS H 1.0 . 5.78 1119 951 A 90 LYS H A 92 ALA HA 1.0 . 5.91 1120 952 A 89 SER HA A 90 LYS H 1.0 . 3.70 1121 953 A 90 LYS H A 93 LYS H 1.0 . 6.10 1122 954 A 91 ILE H A 13 LEU HB2 1.0 . 3.53 1123 954 A 13 LEU HB3 A 91 ILE H 1.0 . 3.53 1124 955 A 13 LEU HD2% A 91 ILE H 1.0 . 3.10 1125 956 A 87 ASP HBy A 91 ILE H 1.0 . 5.10 1126 957 A 87 ASP HA A 91 ILE H 1.0 . 3.51 1127 958 A 87 ASP HBx A 91 ILE H 1.0 . 4.80 1128 959 A 91 ILE H A 90 LYS HE2 1.0 . 5.00 1129 959 A 90 LYS HE3 A 91 ILE H 1.0 . 5.00 1130 960 A 89 SER HG A 91 ILE H 1.0 . 6.10 1131 961 A 89 SER H A 91 ILE H 1.0 . 4.43 1132 962 A 91 ILE H A 90 LYS HB2 1.0 . 2.70 1133 962 A 90 LYS HB3 A 91 ILE H 1.0 . 2.70 1134 963 A 91 ILE H A 90 LYS HG2 1.0 . 4.00 1135 963 A 91 ILE H A 90 LYS HG3 1.0 . 4.00 1136 964 A 91 ILE HB A 91 ILE H 1.0 . 3.00 1137 965 A 91 ILE H A 91 ILE HG1x 1.0 . 2.23 1138 966 A 91 ILE H A 91 ILE HG1y 1.0 . 2.76 1139 967 A 91 ILE H A 92 ALA HB% 1.0 . 4.30 1140 968 A 91 ILE HA A 91 ILE H 1.0 . 3.10 1141 969 A 90 LYS HA A 91 ILE H 1.0 . 3.70 1142 970 A 91 ILE H A 92 ALA HA 1.0 . 4.53 1143 971 A 89 SER HA A 91 ILE H 1.0 . 4.80 1144 972 A 91 ILE H A 93 LYS H 1.0 . 4.70 1145 973 A 92 ALA H A 13 LEU HB2 1.0 . 5.93 1146 973 A 13 LEU HB3 A 92 ALA H 1.0 . 5.93 1147 974 A 13 LEU HD2% A 92 ALA H 1.0 . 3.60 1148 975 A 87 ASP HA A 92 ALA H 1.0 . 5.84 1149 976 A 89 SER HG A 92 ALA H 1.0 . 5.66 1150 977 A 92 ALA H A 90 LYS HB2 1.0 . 4.95 1151 977 A 90 LYS HB3 A 92 ALA H 1.0 . 4.95 1152 978 A 92 ALA H A 93 LYS HB2 1.0 . 5.60 1153 978 A 92 ALA H A 93 LYS HB3 1.0 . 5.60 1154 979 A 90 LYS H A 92 ALA H 1.0 . 4.00 1155 980 A 91 ILE HB A 92 ALA H 1.0 . 4.00 1156 981 A 91 ILE H A 92 ALA H 1.0 . 3.00 1157 982 A 91 ILE HA A 92 ALA H 1.0 . 3.10 1158 983 A 90 LYS HA A 92 ALA H 1.0 . 4.20 1159 984 A 91 ILE HG1x A 92 ALA H 1.0 . 4.40 1160 985 A 92 ALA HA A 92 ALA H 1.0 . 3.00 1161 986 A 89 SER HA A 92 ALA H 1.0 . 3.60 1162 987 A 92 ALA H A 93 LYS HEx 1.0 . 6.10 1163 988 A 93 LYS H A 92 ALA H 1.0 . 2.80 1164 989 A 92 ALA H A 93 LYS HEy 1.0 . 6.10 1165 990 A 92 ALA H A 93 LYS HG2 1.0 . 5.00 1166 990 A 92 ALA H A 93 LYS HG3 1.0 . 5.00 1167 991 A 92 ALA H A 90 LYS HG2 1.0 . 5.20 1168 991 A 90 LYS HG3 A 92 ALA H 1.0 . 5.20 1169 992 A 91 ILE HG1y A 92 ALA H 1.0 . 4.72 1170 993 A 92 ALA HB% A 92 ALA H 1.0 . 2.20 1171 994 A 91 ILE HA A 93 LYS H 1.0 . 3.20 1172 995 A 90 LYS HA A 93 LYS H 1.0 . 6.00 1173 996 A 91 ILE HB A 93 LYS H 1.0 . 5.00 1174 997 A 93 LYS H A 94 PRO HG3 1.0 . 5.00 1175 997 A 93 LYS H A 94 PRO HG2 1.0 . 5.00 1176 998 A 92 ALA HA A 93 LYS H 1.0 . 3.56 1177 999 A 93 LYS H A 94 PRO HA 1.0 . 4.61 1178 1000 A 89 SER HA A 93 LYS H 1.0 . 5.70 1179 1001 A 93 LYS H A 93 LYS HB2 1.0 . 3.38 1180 1001 A 93 LYS H A 93 LYS HB3 1.0 . 3.38 1181 1002 A 93 LYS H A 93 LYS HG2 1.0 . 3.13 1182 1002 A 93 LYS H A 93 LYS HG3 1.0 . 3.13 1183 1003 A 93 LYS H A 91 ILE HG1y 1.0 . 5.71 1184 1004 A 93 LYS H A 92 ALA HB% 1.0 . 3.10 1185 1005 A 93 LYS H A 93 LYS HA 1.0 . 3.10 1186 1006 A 95 SER H A 94 PRO HB2 1.0 . 2.93 1187 1006 A 94 PRO HB3 A 95 SER H 1.0 . 2.93 1188 1007 A 95 SER H A 96 GLU HG2 1.0 . 5.00 1189 1007 A 95 SER H A 96 GLU HG3 1.0 . 5.00 1190 1008 A 94 PRO HA A 95 SER H 1.0 . 2.54 1191 1009 A 95 SER H A 95 SER HA 1.0 . 3.10 1192 1010 A 95 SER H A 97 THR HA 1.0 . 6.00 1193 1011 A 95 SER H A 96 GLU HA 1.0 . 4.90 1194 1012 A 95 SER H A 94 PRO HG3 1.0 . 4.67 1195 1012 A 94 PRO HG2 A 95 SER H 1.0 . 4.67 1196 1013 A 95 SER H A 96 GLU HB2 1.0 . 5.00 1197 1013 A 95 SER H A 96 GLU HB3 1.0 . 5.00 1198 1014 A 95 SER H A 95 SER HG 1.0 . 3.78 1199 1015 A 95 SER H A 95 SER HBy 1.0 . 2.60 1200 1016 A 95 SER H A 98 LEU H 1.0 . 4.76 1201 1017 A 94 PRO HG2 A 96 GLU H 1.0 . 5.25 1202 1018 A 96 GLU H A 94 PRO HG3 1.0 . 6.00 1203 1019 A 96 GLU H A 96 GLU HB2 1.0 . 2.80 1204 1019 A 96 GLU HB3 A 96 GLU H 1.0 . 2.80 1205 1020 A 95 SER HA A 96 GLU H 1.0 . 3.55 1206 1021 A 96 GLU HA A 96 GLU H 1.0 . 3.10 1207 1022 A 94 PRO HA A 96 GLU H 1.0 . 5.10 1208 1023 A 97 THR HA A 96 GLU H 1.0 . 5.10 1209 1024 A 95 SER HBy A 96 GLU H 1.0 . 2.69 1210 1025 A 95 SER HG A 96 GLU H 1.0 . 3.36 1211 1026 A 96 GLU H A 96 GLU HG2 1.0 . 3.76 1212 1026 A 96 GLU HG3 A 96 GLU H 1.0 . 3.76 1213 1027 A 96 GLU H A 94 PRO HB2 1.0 . 4.70 1214 1027 A 94 PRO HB3 A 96 GLU H 1.0 . 4.70 1215 1028 A 97 THR H A 96 GLU HG2 1.0 . 4.40 1216 1028 A 96 GLU HG3 A 97 THR H 1.0 . 4.40 1217 1029 A 97 THR H A 94 PRO HB2 1.0 . 5.70 1218 1029 A 94 PRO HB3 A 97 THR H 1.0 . 5.70 1219 1030 A 94 PRO HA A 97 THR H 1.0 . 6.10 1220 1031 A 97 THR HA A 97 THR H 1.0 . 3.10 1221 1032 A 95 SER HA A 97 THR H 1.0 . 5.10 1222 1033 A 96 GLU HA A 97 THR H 1.0 . 3.60 1223 1034 A 95 SER HG A 97 THR H 1.0 . 5.75 1224 1035 A 97 THR H A 96 GLU HB2 1.0 . 4.05 1225 1035 A 96 GLU HB3 A 97 THR H 1.0 . 4.05 1226 1036 A 94 PRO HG2 A 97 THR H 1.0 . 5.70 1227 1037 A 97 THR H A 97 THR HG1 1.0 . 4.76 1228 1038 A 98 LEU H A 94 PRO HG3 1.0 . 5.16 1229 1038 A 94 PRO HG2 A 98 LEU H 1.0 . 5.16 1230 1039 A 98 LEU H A 96 GLU HB2 1.0 . 5.56 1231 1039 A 96 GLU HB3 A 98 LEU H 1.0 . 5.56 1232 1040 A 97 THR HA A 98 LEU H 1.0 . 3.46 1233 1041 A 95 SER HA A 98 LEU H 1.0 . 5.20 1234 1042 A 96 GLU HA A 98 LEU H 1.0 . 4.70 1235 1043 A 94 PRO HA A 98 LEU H 1.0 . 4.90 1236 1044 A 98 LEU H A 98 LEU HB2 1.0 . 2.83 1237 1044 A 98 LEU H A 98 LEU HB3 1.0 . 2.83 1238 1045 A 98 LEU H A 98 LEU HA 1.0 . 3.10 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _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 4 SER HA A 8 VAL HGx% 1.0 . 6.00 2 2 A 5 ASP HA A 8 VAL HGx% 1.0 . 4.20 3 3 A 10 TYR HA A 8 VAL HGx% 1.0 . 4.95 4 4 A 9 LYS HB3 A 81 GLY HAx 1.0 . 3.40 5 4 A 9 LYS HB2 A 81 GLY HAx 1.0 . 3.40 6 4 A 81 GLY HAy A 9 LYS HB2 1.0 . 3.40 7 4 A 9 LYS HB3 A 81 GLY HAy 1.0 . 3.40 8 5 A 81 GLY HAy A 32 LYS HD3 1.0 . 5.95 9 5 A 32 LYS HD3 A 81 GLY HAx 1.0 . 5.95 10 6 A 80 ILE HB A 81 GLY HAx 1.0 . 5.20 11 6 A 80 ILE HB A 81 GLY HAy 1.0 . 5.20 12 7 A 32 LYS HD2 A 81 GLY HAy 1.0 . 5.50 13 7 A 32 LYS HD2 A 81 GLY HAx 1.0 . 5.50 14 8 A 4 SER HBy A 10 TYR HE% 1.0 . 4.10 15 9 A 8 VAL HGy% A 10 TYR HE% 1.0 . 4.60 16 10 A 10 TYR HE% A 8 VAL HGx% 1.0 . 3.90 17 11 A 9 LYS HA A 10 TYR HD% 1.0 . 3.30 18 12 A 10 TYR HD% A 81 GLY HAx 1.0 . 5.60 19 13 A 10 TYR HD% A 9 LYS HB2 1.0 . 5.10 20 13 A 9 LYS HB3 A 10 TYR HD% 1.0 . 5.10 21 14 A 10 TYR HD% A 82 GLU HB2 1.0 . 5.90 22 15 A 10 TYR HA A 10 TYR HD% 1.0 . 3.50 23 16 A 5 ASP HA A 10 TYR HD% 1.0 . 4.50 24 17 A 10 TYR HD% A 11 TYR HD% 1.0 . 5.41 25 18 A 10 TYR HD% A 84 HIS HA 1.0 . 4.35 26 19 A 11 TYR HD% A 26 TRP HD1 1.0 . 5.20 27 20 A 10 TYR HA A 82 GLU HB3 1.0 . 4.95 28 20 A 10 TYR HA A 82 GLU HB2 1.0 . 4.95 29 21 A 10 TYR HA A 83 LEU HD2% 1.0 . 5.81 30 22 A 83 LEU HD1% A 86 ASP HA 1.0 . 5.90 31 23 A 83 LEU HD2% A 83 LEU HA 1.0 . 3.20 32 24 A 83 LEU HD1% A 83 LEU HA 1.0 . 2.70 33 25 A 10 TYR HD% A 84 HIS HD1 1.0 . 5.35 34 26 A 84 HIS HD2 A 84 HIS HD1 1.0 . 4.30 35 27 A 11 TYR HE% A 9 LYS HD2 1.0 . 3.30 36 27 A 9 LYS HD3 A 11 TYR HE% 1.0 . 3.30 37 28 A 11 TYR HE% A 9 LYS HB2 1.0 . 3.00 38 28 A 11 TYR HE% A 9 LYS HB3 1.0 . 3.00 39 29 A 11 TYR HE% A 80 ILE HB 1.0 . 5.00 40 30 A 11 TYR HE% A 11 TYR HBx 1.0 . 4.40 41 31 A 11 TYR HE% A 5 ASP HBy 1.0 . 6.00 42 32 A 11 TYR HE% A 26 TRP HD1 1.0 . 4.00 43 33 A 11 TYR HE% A 11 TYR HBy 1.0 . 4.50 44 34 A 11 TYR HE% A 16 ILE HG13 1.0 . 4.35 45 35 A 11 TYR HE% A 26 TRP HD1 1.0 . 4.00 46 36 A 11 TYR HE% A 11 TYR HD% 1.0 . 2.32 47 37 A 11 TYR HE% A 80 ILE HD1% 1.0 . 3.60 48 38 A 11 TYR HE% A 81 GLY HAy 1.0 . 3.70 49 39 A 11 TYR HE% A 81 GLY HAx 1.0 . 5.53 50 40 A 9 LYS HA A 11 TYR HE% 1.0 . 5.40 51 41 A 11 TYR HE% A 83 LEU HD2% 1.0 . 5.80 52 42 A 11 TYR HE% A 33 VAL HGx% 1.0 . 3.20 53 43 A 8 VAL HGy% A 11 TYR HE% 1.0 . 6.00 54 44 A 11 TYR HE% A 80 ILE HG2% 1.0 . 3.20 55 45 A 11 TYR HE% A 33 VAL HGy% 1.0 . 3.40 56 46 A 10 TYR HA A 11 TYR HA 1.0 . 4.50 57 47 A 11 TYR HA A 83 LEU HA 1.0 . 4.70 58 48 A 11 TYR HA A 9 LYS HB2 1.0 . 5.90 59 48 A 9 LYS HB3 A 11 TYR HA 1.0 . 5.90 60 49 A 11 TYR HA A 33 VAL HGy% 1.0 . 4.70 61 50 A 11 TYR HA A 80 ILE HG2% 1.0 . 5.81 62 51 A 11 TYR HD% A 9 LYS HB2 1.0 . 3.51 63 51 A 9 LYS HB3 A 11 TYR HD% 1.0 . 3.51 64 52 A 11 TYR HD% A 12 THR HG2% 1.0 . 5.45 65 53 A 11 TYR HD% A 13 LEU HD1% 1.0 . 6.00 66 54 A 11 TYR HD% A 13 LEU HA 1.0 . 6.10 67 55 A 11 TYR HD% A 16 ILE HD1% 1.0 . 3.10 68 56 A 11 TYR HD% A 28 ILE HG2% 1.0 . 4.70 69 57 A 11 TYR HD% A 26 TRP HD1 1.0 . 5.30 70 58 A 11 TYR HD% A 33 VAL HB 1.0 . 4.10 71 59 A 11 TYR HD% A 15 GLU HG2 1.0 . 4.60 72 59 A 11 TYR HD% A 15 GLU HG3 1.0 . 4.60 73 60 A 11 TYR HD% A 33 VAL HA 1.0 . 5.71 74 61 A 11 TYR HD% A 12 THR HA 1.0 . 5.70 75 62 A 11 TYR HD% A 81 GLY HAy 1.0 . 3.10 76 63 A 11 TYR HD% A 83 LEU HD2% 1.0 . 4.20 77 64 A 24 SER H A 23 LYS HZ% 1.0 . 5.10 78 65 A 25 THR HA A 26 TRP HD1 1.0 . 6.00 79 66 A 26 TRP HD1 A 26 TRP HA 1.0 . 3.10 80 67 A 26 TRP HD1 A 26 TRP HBy 1.0 . 3.10 81 68 A 26 TRP HD1 A 80 ILE HG12 1.0 . 5.10 82 68 A 26 TRP HD1 A 80 ILE HG13 1.0 . 5.10 83 69 A 16 ILE HG12 A 26 TRP HD1 1.0 . 5.90 84 70 A 26 TRP HD1 A 80 ILE HD1% 1.0 . 4.00 85 71 A 26 TRP HD1 A 33 VAL HGy% 1.0 . 3.80 86 72 A 26 TRP HD1 A 33 VAL HGx% 1.0 . 4.40 87 73 A 11 TYR HD% A 26 TRP HE3 1.0 . 4.10 88 74 A 26 TRP HE3 A 15 GLU HG2 1.0 . 4.72 89 74 A 15 GLU HG3 A 26 TRP HE3 1.0 . 4.72 90 75 A 16 ILE HA A 26 TRP HE3 1.0 . 2.30 91 76 A 16 ILE HG12 A 26 TRP HE3 1.0 . 2.21 92 77 A 16 ILE HD1% A 26 TRP HE3 1.0 . 3.73 93 78 A 26 TRP HE3 A 19 HIS HB2 1.0 . 5.70 94 78 A 19 HIS HB3 A 26 TRP HE3 1.0 . 5.70 95 79 A 25 THR HA A 26 TRP HE3 1.0 . 4.10 96 80 A 24 SER HA A 26 TRP HE3 1.0 . 5.70 97 81 A 25 THR HG2% A 26 TRP HE3 1.0 . 5.46 98 82 A 26 TRP HE3 A 33 VAL HGx% 1.0 . 6.00 99 83 A 26 TRP HE3 A 80 ILE HG2% 1.0 . 6.00 100 84 A 24 SER HA A 26 TRP HZ2 1.0 . 3.80 101 85 A 26 TRP HE3 A 26 TRP HZ2 1.0 . 5.20 102 86 A 80 ILE HG2% A 26 TRP HZ2 1.0 . 6.00 103 87 A 26 TRP HD1 A 26 TRP HA 1.0 . 3.20 104 88 A 11 TYR HD% A 26 TRP HA 1.0 . 6.10 105 89 A 26 TRP HA A 26 TRP HBy 1.0 . 2.50 106 90 A 11 TYR HD% A 26 TRP HBx 1.0 . 4.10 107 91 A 26 TRP HD1 A 26 TRP HBy 1.0 . 3.10 108 92 A 26 TRP HBy A 34 TYR HD% 1.0 . 5.75 109 93 A 30 HIS HBy A 30 HIS HD2 1.0 . 4.00 110 94 A 30 HIS HD2 A 30 HIS HA 1.0 . 3.15 111 95 A 30 HIS HD1 A 31 HIS HD1 1.0 . 6.00 112 96 A 30 HIS HD2 A 88 ARG HD3 1.0 . 4.70 113 96 A 30 HIS HD2 A 88 ARG HD2 1.0 . 4.70 114 97 A 30 HIS HD2 A 88 ARG HG2 1.0 . 5.74 115 98 A 33 VAL HA A 58 ALA HB% 1.0 . 5.10 116 99 A 28 ILE HA A 33 VAL HB 1.0 . 4.80 117 100 A 34 TYR HD% A 27 VAL HG2% 1.0 . 3.50 118 101 A 34 TYR HD% A 80 ILE HG2% 1.0 . 4.80 119 102 A 34 TYR HD% A 28 ILE HB 1.0 . 4.90 120 103 A 34 TYR HD% A 32 LYS HB2 1.0 . 5.60 121 103 A 34 TYR HD% A 32 LYS HB3 1.0 . 5.60 122 104 A 34 TYR HD% A 29 LEU HB2 1.0 . 5.90 123 104 A 34 TYR HD% A 29 LEU HB3 1.0 . 5.90 124 105 A 34 TYR HD% A 76 LYS HD2 1.0 . 5.80 125 105 A 34 TYR HD% A 76 LYS HD3 1.0 . 5.80 126 106 A 34 TYR HD% A 79 ILE HG12 1.0 . 6.00 127 106 A 34 TYR HD% A 79 ILE HG13 1.0 . 6.00 128 107 A 34 TYR HD% A 33 VAL HGy% 1.0 . 4.10 129 108 A 34 TYR HD% A 80 ILE HG2% 1.0 . 4.80 130 109 A 34 TYR HD% A 33 VAL HGy% 1.0 . 4.10 131 110 A 34 TYR HD% A 33 VAL HGx% 1.0 . 5.15 132 111 A 34 TYR HD% A 58 ALA HB% 1.0 . 3.60 133 112 A 34 TYR HD% A 75 SER HB2 1.0 . 5.00 134 113 A 34 TYR HD% A 77 LYS HA 1.0 . 5.60 135 114 A 34 TYR HD% A 32 LYS HA 1.0 . 5.90 136 115 A 34 TYR HD% A 75 SER HG 1.0 . 5.90 137 116 A 34 TYR HD% A 76 LYS HA 1.0 . 4.00 138 117 A 34 TYR HD% A 78 TYR HA 1.0 . 4.70 139 118 A 34 TYR HD% A 79 ILE H 1.0 . 3.80 140 119 A 34 TYR HD% A 79 ILE HA 1.0 . 3.10 141 120 A 34 TYR HD% A 83 LEU HB2 1.0 . 5.95 142 121 A 34 TYR HE% A 33 VAL HGy% 1.0 . 5.45 143 122 A 34 TYR HE% A 80 ILE HG2% 1.0 . 6.00 144 123 A 34 TYR HE% A 33 VAL HGx% 1.0 . 5.43 145 124 A 34 TYR HE% A 79 ILE HG2% 1.0 . 4.80 146 125 A 27 VAL HG2% A 34 TYR HE% 1.0 . 5.00 147 126 A 39 PHE HD% A 43 TRP HB2 1.0 . 5.95 148 126 A 39 PHE HD% A 43 TRP HB3 1.0 . 5.95 149 127 A 39 PHE HD% A 66 GLY HA2 1.0 . 4.80 150 127 A 39 PHE HD% A 66 GLY HA3 1.0 . 4.80 151 128 A 39 PHE HD% A 75 SER HA 1.0 . 4.00 152 129 A 39 PHE HD% A 39 PHE HE% 1.0 . 2.40 153 130 A 78 TYR HE% A 39 PHE HE% 1.0 . 4.50 154 131 A 39 PHE HE% A 42 GLU HB3 1.0 . 6.00 155 132 A 43 TRP HD1 A 39 PHE HE% 1.0 . 6.00 156 133 A 58 ALA HB% A 39 PHE HE% 1.0 . 6.10 157 134 A 39 PHE HE% A 62 PHE HB3 1.0 . 3.80 158 134 A 62 PHE HB2 A 39 PHE HE% 1.0 . 3.80 159 135 A 67 PHE HBx A 39 PHE HE% 1.0 . 5.50 160 136 A 39 PHE HE% A 66 GLY HA2 1.0 . 4.00 161 136 A 66 GLY HA3 A 39 PHE HE% 1.0 . 4.00 162 137 A 71 ALA HB% A 39 PHE HE% 1.0 . 3.00 163 138 A 75 SER HG A 39 PHE HE% 1.0 . 5.10 164 139 A 78 TYR HD% A 39 PHE HE% 1.0 . 4.20 165 140 A 62 PHE HD% A 39 PHE HE% 1.0 . 4.50 166 141 A 39 PHE HA A 43 TRP HD1 1.0 . 5.90 167 142 A 43 TRP HD1 A 42 GLU HB3 1.0 . 5.00 168 142 A 42 GLU HB2 A 43 TRP HD1 1.0 . 5.00 169 143 A 43 TRP HD1 A 43 TRP HE3 1.0 . 5.30 170 144 A 43 TRP HD1 A 43 TRP HB2 1.0 . 4.10 171 144 A 43 TRP HB3 A 43 TRP HD1 1.0 . 4.10 172 145 A 43 TRP HD1 A 44 PRO HD2 1.0 . 5.30 173 145 A 43 TRP HD1 A 44 PRO HD3 1.0 . 5.30 174 146 A 43 TRP HD1 A 43 TRP HA 1.0 . 3.30 175 147 A 43 TRP HD1 A 67 PHE HBx 1.0 . 6.00 176 148 A 43 TRP HD1 A 74 LEU HG 1.0 . 5.90 177 149 A 43 TRP HE3 A 67 PHE HBx 1.0 . 3.60 178 150 A 53 GLN HE22 A 52 GLU HG3 1.0 . 5.80 179 151 A 53 GLN HE22 A 53 GLN HB2 1.0 . 3.60 180 151 A 53 GLN HB3 A 53 GLN HE22 1.0 . 3.60 181 152 A 56 GLY HAy A 53 GLN HE22 1.0 . 6.00 182 153 A 53 GLN HE22 A 57 ASP HB2 1.0 . 4.53 183 153 A 53 GLN HE22 A 57 ASP HB3 1.0 . 4.53 184 154 A 53 GLN HE22 A 64 ASP HB3 1.0 . 4.72 185 155 A 61 ASN HD22 A 53 GLN HE22 1.0 . 2.42 186 156 A 53 GLN HE22 A 64 ASP HB2 1.0 . 5.20 187 157 A 53 GLN HE22 A 97 THR HG2% 1.0 . 6.00 188 158 A 27 VAL HA A 57 ASP HA 1.0 . 6.00 189 159 A 57 ASP HA A 58 ALA HB% 1.0 . 4.20 190 160 A 58 ALA HA A 57 ASP HB2 1.0 . 5.27 191 160 A 58 ALA HA A 57 ASP HB3 1.0 . 5.27 192 161 A 58 ALA HA A 61 ASN HB2 1.0 . 4.00 193 161 A 58 ALA HA A 61 ASN HB3 1.0 . 4.00 194 162 A 50 LEU HA A 61 ASN HD21 1.0 . 5.10 195 163 A 61 ASN HD21 A 62 PHE HA 1.0 . 4.90 196 164 A 61 ASN HD21 A 62 PHE HB3 1.0 . 6.00 197 164 A 61 ASN HD21 A 62 PHE HB2 1.0 . 6.00 198 165 A 61 ASN HD21 A 62 PHE H 1.0 . 5.00 199 166 A 61 ASN HD21 A 64 ASP H 1.0 . 5.30 200 167 A 61 ASN HD21 A 64 ASP HB2 1.0 . 5.24 201 168 A 61 ASN HD22 A 64 ASP HB2 1.0 . 5.65 202 169 A 61 ASN HD22 A 64 ASP HB3 1.0 . 4.96 203 170 A 61 ASN HD22 A 57 ASP HB2 1.0 . 6.00 204 170 A 61 ASN HD22 A 57 ASP HB3 1.0 . 6.00 205 171 A 62 PHE HD% A 61 ASN HB2 1.0 . 5.48 206 171 A 61 ASN HB3 A 62 PHE HD% 1.0 . 5.48 207 172 A 62 PHE HD% A 62 PHE HA 1.0 . 3.90 208 173 A 62 PHE HD% A 75 SER HG 1.0 . 3.10 209 174 A 62 PHE HA A 39 PHE HE% 1.0 . 4.20 210 175 A 62 PHE HA A 62 PHE HB3 1.0 . 3.00 211 175 A 62 PHE HB2 A 62 PHE HA 1.0 . 3.00 212 176 A 64 ASP HB2 A 64 ASP HA 1.0 . 3.00 213 177 A 39 PHE HZ A 66 GLY HA2 1.0 . 4.40 214 177 A 66 GLY HA3 A 39 PHE HZ 1.0 . 4.40 215 178 A 67 PHE HD% A 66 GLY HA2 1.0 . 3.00 216 178 A 66 GLY HA3 A 67 PHE HD% 1.0 . 3.00 217 179 A 43 TRP HD1 A 67 PHE HE% 1.0 . 5.36 218 180 A 39 PHE HD% A 67 PHE HE% 1.0 . 5.20 219 181 A 39 PHE HD% A 75 SER HA 1.0 . 4.10 220 182 A 34 TYR HD% A 75 SER HA 1.0 . 4.50 221 183 A 78 TYR HE% A 75 SER HA 1.0 . 5.30 222 184 A 78 TYR HE% A 77 LYS HE2 1.0 . 5.00 223 184 A 78 TYR HE% A 77 LYS HE3 1.0 . 5.00 224 185 A 78 TYR HE% A 39 PHE HB2 1.0 . 5.00 225 185 A 78 TYR HE% A 39 PHE HB3 1.0 . 5.00 226 186 A 34 TYR HE% A 79 ILE H 1.0 . 5.08 227 187 A 12 THR HG2% A 83 LEU HA 1.0 . 5.30 228 188 A 83 LEU HA A 85 PRO HD2 1.0 . 5.71 229 188 A 83 LEU HA A 85 PRO HD3 1.0 . 5.71 230 189 A 10 TYR HA A 85 PRO HD2 1.0 . 6.00 231 189 A 10 TYR HA A 85 PRO HD3 1.0 . 6.00 232 190 A 84 HIS HD2 A 85 PRO HD2 1.0 . 3.30 233 190 A 84 HIS HD2 A 85 PRO HD3 1.0 . 3.30 234 191 A 10 TYR HD% A 85 PRO HD2 1.0 . 4.70 235 191 A 10 TYR HD% A 85 PRO HD3 1.0 . 4.70 236 192 A 84 HIS HD2 A 84 HIS HA 1.0 . 2.52 237 193 A 84 HIS HD2 A 12 THR HA 1.0 . 5.70 238 194 A 84 HIS HD2 A 84 HIS HD1 1.0 . 5.20 239 195 A 10 TYR HD% A 84 HIS HD1 1.0 . 5.30 240 196 A 84 HIS HD2 A 85 PRO HG2 1.0 . 5.90 241 196 A 84 HIS HD2 A 85 PRO HG3 1.0 . 5.90 242 197 A 90 LYS HZ% A 84 HIS HB3 1.0 . 6.00 243 198 A 90 LYS HZ% A 86 ASP HB3 1.0 . 5.10 244 198 A 90 LYS HZ% A 86 ASP HB2 1.0 . 5.10 245 199 A 87 ASP HBx A 90 LYS HZ% 1.0 . 4.50 246 200 A 90 LYS HZ% A 86 ASP HA 1.0 . 5.70 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _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 LEU H A 25 THR O 1.0 . 2.50 2 2 A 25 THR O A 36 LEU N 1.0 . 3.50 3 3 A 34 TYR H A 27 VAL O 1.0 . 2.50 4 4 A 27 VAL O A 34 TYR N 1.0 . 3.50 5 5 A 27 VAL H A 34 TYR O 1.0 . 2.50 6 6 A 34 TYR O A 27 VAL N 1.0 . 3.50 7 7 A 34 TYR H A 27 VAL O 1.0 . 2.50 8 8 A 27 VAL O A 34 TYR N 1.0 . 3.50 9 9 A 29 LEU H A 32 LYS O 1.0 . 2.50 10 10 A 32 LYS O A 29 LEU N 1.0 . 3.50 11 11 A 81 GLY H A 33 VAL O 1.0 . 2.50 12 12 A 33 VAL O A 81 GLY N 1.0 . 3.50 13 13 A 35 ASP H A 78 TYR O 1.0 . 2.50 14 14 A 78 TYR O A 35 ASP N 1.0 . 3.50 15 15 A 82 GLU H A 9 LYS O 1.0 . 2.20 16 16 A 84 HIS H A 11 TYR O 1.0 . 2.20 17 17 A 11 TYR H A 82 GLU O 1.0 . 2.20 18 18 A 58 ALA H A 28 ILE O 1.0 . 2.50 19 19 A 55 GLY H A 26 TRP O 1.0 . 2.20 20 20 A 13 LEU O A 17 GLN N 1.0 . 3.50 21 21 A 17 GLN H A 13 LEU O 1.0 . 2.50 22 22 A 42 GLU H A 38 LYS O 1.0 . 2.50 23 23 A 38 LYS O A 42 GLU N 1.0 . 3.50 24 24 A 41 GLU H A 37 THR O 1.0 . 3.36 25 25 A 37 THR O A 41 GLU N 1.0 . 4.35 26 26 A 51 ARG H A 47 GLU O 1.0 . 2.50 27 27 A 47 GLU O A 51 ARG N 1.0 . 3.50 28 28 A 52 GLU H A 48 GLU O 1.0 . 2.50 29 29 A 48 GLU O A 52 GLU N 1.0 . 3.50 30 30 A 65 VAL H A 61 ASN O 1.0 . 2.50 31 31 A 61 ASN O A 65 VAL N 1.0 . 3.50 32 32 A 75 SER H A 71 ALA O 1.0 . 2.50 33 33 A 71 ALA O A 75 SER N 1.0 . 3.50 34 34 A 74 LEU H A 70 ASP O 1.0 . 2.50 35 35 A 70 ASP O A 74 LEU N 1.0 . 3.50 36 36 A 90 LYS H A 86 ASP O 1.0 . 2.50 37 37 A 86 ASP O A 90 LYS N 1.0 . 3.50 stop_ save_ save_DYANA/DIANA_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_5 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 GLU C A 3 GLN N A 3 GLN CA A 3 GLN C 1.0 -100.0 -40.0 PHI 2 2 A 3 GLN N A 3 GLN CA A 3 GLN C A 4 SER N 1.0 110.0 180.0 PSI 3 3 A 3 GLN C A 4 SER N A 4 SER CA A 4 SER C 1.0 -100.0 -40.0 PHI 4 4 A 4 SER N A 4 SER CA A 4 SER C A 5 ASP N 1.0 -70.0 30.0 PSI 5 5 A 4 SER C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 -111.0 -51.0 PHI 6 6 A 5 ASP N A 5 ASP CA A 5 ASP C A 6 LYS N 1.0 -70.0 0.0 PSI 7 7 A 5 ASP C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -90.0 -40.0 PHI 8 8 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 ASP N 1.0 -70.0 -10.0 PSI 9 9 A 6 LYS C A 7 ASP N A 7 ASP CA A 7 ASP C 1.0 -90.0 -40.0 PHI 10 10 A 7 ASP N A 7 ASP CA A 7 ASP C A 8 VAL N 1.0 -70.0 -10.0 PSI 11 11 A 7 ASP C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -179.0 -99.0 PHI 12 12 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 LYS N 1.0 95.0 175.0 PSI 13 13 A 8 VAL C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -179.0 -85.0 PHI 14 14 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 TYR N 1.0 95.0 175.0 PSI 15 15 A 9 LYS C A 10 TYR N A 10 TYR CA A 10 TYR C 1.0 -179.0 -86.0 PHI 16 16 A 10 TYR N A 10 TYR CA A 10 TYR C A 11 TYR N 1.0 95.0 175.0 PSI 17 17 A 10 TYR C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -179.0 -86.0 PHI 18 18 A 11 TYR N A 11 TYR CA A 11 TYR C A 12 THR N 1.0 95.0 189.0 PSI 19 19 A 11 TYR C A 12 THR N A 12 THR CA A 12 THR C 1.0 -191.0 -48.0 PHI 20 20 A 12 THR N A 12 THR CA A 12 THR C A 13 LEU N 1.0 140.0 180.0 PSI 21 21 A 12 THR C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -97.0 -17.0 PHI 22 22 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 GLU N 1.0 -87.0 -7.0 PSI 23 23 A 13 LEU C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -97.0 -17.0 PHI 24 24 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 GLU N 1.0 -87.0 -7.0 PSI 25 25 A 14 GLU C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -97.0 -17.0 PHI 26 26 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 ILE N 1.0 -87.0 -7.0 PSI 27 27 A 15 GLU C A 16 ILE N A 16 ILE CA A 16 ILE C 1.0 -97.0 -17.0 PHI 28 28 A 16 ILE N A 16 ILE CA A 16 ILE C A 17 GLN N 1.0 -87.0 -7.0 PSI 29 29 A 16 ILE C A 17 GLN N A 17 GLN CA A 17 GLN C 1.0 -97.0 -17.0 PHI 30 30 A 17 GLN N A 17 GLN CA A 17 GLN C A 18 LYS N 1.0 -87.0 -7.0 PSI 31 31 A 17 GLN C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -120.0 -50.0 PHI 32 32 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 HIS N 1.0 -50.0 35.0 PSI 33 33 A 18 LYS C A 19 HIS N A 19 HIS CA A 19 HIS C 1.0 -106.0 -45.0 PHI 34 34 A 19 HIS N A 19 HIS CA A 19 HIS C A 20 LYS N 1.0 77.0 180.0 PSI 35 35 A 19 HIS C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -150.0 -50.0 PHI 36 36 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 ASP N 1.0 12.0 190.0 PSI 37 37 A 20 LYS C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -187.0 -54.0 PHI 38 38 A 21 ASP N A 21 ASP CA A 21 ASP C A 22 SER N 1.0 -179.0 180.0 PSI 39 39 A 21 ASP C A 22 SER N A 22 SER CA A 22 SER C 1.0 -98.0 -38.0 PHI 40 40 A 22 SER N A 22 SER CA A 22 SER C A 23 LYS N 1.0 -50.0 0.0 PSI 41 41 A 22 SER C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -120.0 -50.0 PHI 42 42 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 SER N 1.0 -50.0 20.0 PSI 43 43 A 23 LYS C A 24 SER N A 24 SER CA A 24 SER C 1.0 -127.0 -40.0 PHI 44 44 A 24 SER N A 24 SER CA A 24 SER C A 25 THR N 1.0 75.0 170.0 PSI 45 45 A 24 SER C A 25 THR N A 25 THR CA A 25 THR C 1.0 -179.0 -99.0 PHI 46 46 A 25 THR N A 25 THR CA A 25 THR C A 26 TRP N 1.0 95.0 175.0 PSI 47 47 A 25 THR C A 26 TRP N A 26 TRP CA A 26 TRP C 1.0 -179.0 -99.0 PHI 48 48 A 26 TRP N A 26 TRP CA A 26 TRP C A 27 VAL N 1.0 95.0 175.0 PSI 49 49 A 26 TRP C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -179.0 -99.0 PHI 50 50 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 ILE N 1.0 95.0 175.0 PSI 51 51 A 27 VAL C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -179.0 -99.0 PHI 52 52 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 LEU N 1.0 95.0 175.0 PSI 53 53 A 28 ILE C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -179.0 -81.0 PHI 54 54 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 HIS N 1.0 -21.0 195.0 PSI 55 55 A 29 LEU C A 30 HIS N A 30 HIS CA A 30 HIS C 1.0 -191.0 36.0 PHI 56 56 A 30 HIS N A 30 HIS CA A 30 HIS C A 31 HIS N 1.0 -179.0 180.0 PSI 57 57 A 30 HIS C A 31 HIS N A 31 HIS CA A 31 HIS C 1.0 -180.0 0.0 PHI 58 58 A 31 HIS N A 31 HIS CA A 31 HIS C A 32 LYS N 1.0 -179.0 180.0 PSI 59 59 A 31 HIS C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -130.2 -35.2 PHI 60 60 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 VAL N 1.0 -179.0 180.0 PSI 61 61 A 32 LYS C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -179.0 -99.0 PHI 62 62 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 TYR N 1.0 95.0 175.0 PSI 63 63 A 33 VAL C A 34 TYR N A 34 TYR CA A 34 TYR C 1.0 -179.0 -99.0 PHI 64 64 A 34 TYR N A 34 TYR CA A 34 TYR C A 35 ASP N 1.0 95.0 175.0 PSI 65 65 A 34 TYR C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -179.0 -89.0 PHI 66 66 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 LEU N 1.0 95.0 175.0 PSI 67 67 A 35 ASP C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -97.0 -40.0 PHI 68 68 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 THR N 1.0 -70.0 0.0 PSI 69 69 A 36 LEU C A 37 THR N A 37 THR CA A 37 THR C 1.0 -97.0 -17.0 PHI 70 70 A 37 THR N A 37 THR CA A 37 THR C A 38 LYS N 1.0 -87.0 -7.0 PSI 71 71 A 37 THR C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -97.0 -17.0 PHI 72 72 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 PHE N 1.0 -87.0 -7.0 PSI 73 73 A 38 LYS C A 39 PHE N A 39 PHE CA A 39 PHE C 1.0 -97.0 -17.0 PHI 74 74 A 39 PHE N A 39 PHE CA A 39 PHE C A 40 LEU N 1.0 -87.0 -7.0 PSI 75 75 A 39 PHE C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -97.0 -17.0 PHI 76 76 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 GLU N 1.0 -87.0 -7.0 PSI 77 77 A 40 LEU C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -97.0 -17.0 PHI 78 78 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 GLU N 1.0 -87.0 26.6 PSI 79 79 A 41 GLU C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -102.0 -17.0 PHI 80 80 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 TRP N 1.0 -87.0 -7.0 PSI 81 81 A 42 GLU C A 43 TRP N A 43 TRP CA A 43 TRP C 1.0 -120.0 -30.0 PHI 82 82 A 43 TRP N A 43 TRP CA A 43 TRP C A 44 PRO N 1.0 -95.0 10.0 PSI 83 83 A 43 TRP N A 43 TRP CA A 43 TRP CB A 43 TRP CG 1.0 -100.0 -40.0 CHI1 84 84 A 44 PRO N A 44 PRO CA A 44 PRO C A 45 GLY N 1.0 -35.0 40.0 PSI 85 85 A 44 PRO C A 45 GLY N A 45 GLY CA A 45 GLY C 1.0 40.0 110.0 PHI 86 86 A 45 GLY N A 45 GLY CA A 45 GLY C A 46 GLY N 1.0 -20.0 50.0 PSI 87 87 A 46 GLY C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -97.0 -17.0 PHI 88 88 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 GLU N 1.0 -87.0 -7.0 PSI 89 89 A 47 GLU C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -97.0 -17.0 PHI 90 90 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 VAL N 1.0 -87.0 -7.0 PSI 91 91 A 49 VAL C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -110.0 -17.0 PHI 92 92 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 ARG N 1.0 -87.0 -7.0 PSI 93 93 A 50 LEU C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -97.0 -17.0 PHI 94 94 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 GLU N 1.0 -87.0 -7.0 PSI 95 95 A 51 ARG C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -97.0 -17.0 PHI 96 96 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 GLN N 1.0 -87.0 -7.0 PSI 97 97 A 52 GLU C A 53 GLN N A 53 GLN CA A 53 GLN C 1.0 -145.0 -32.0 PHI 98 98 A 53 GLN N A 53 GLN CA A 53 GLN C A 54 ALA N 1.0 40.0 170.0 PSI 99 99 A 53 GLN C A 54 ALA N A 54 ALA CA A 54 ALA C 1.0 -170.0 -40.0 PHI 100 100 A 54 ALA N A 54 ALA CA A 54 ALA C A 55 GLY N 1.0 100.0 180.0 PSI 101 101 A 54 ALA C A 55 GLY N A 55 GLY CA A 55 GLY C 1.0 -179.0 180.0 PHI 102 102 A 55 GLY N A 55 GLY CA A 55 GLY C A 56 GLY N 1.0 -179.0 180.0 PSI 103 103 A 55 GLY C A 56 GLY N A 56 GLY CA A 56 GLY C 1.0 -180.0 0.0 PHI 104 104 A 56 GLY N A 56 GLY CA A 56 GLY C A 57 ASP N 1.0 -179.0 180.0 PSI 105 105 A 56 GLY C A 57 ASP N A 57 ASP CA A 57 ASP C 1.0 -180.0 0.0 PHI 106 106 A 57 ASP N A 57 ASP CA A 57 ASP C A 58 ALA N 1.0 -179.0 180.0 PSI 107 107 A 57 ASP C A 58 ALA N A 58 ALA CA A 58 ALA C 1.0 -180.0 0.0 PHI 108 108 A 58 ALA N A 58 ALA CA A 58 ALA C A 59 THR N 1.0 -179.0 180.0 PSI 109 109 A 58 ALA C A 59 THR N A 59 THR CA A 59 THR C 1.0 -110.0 -30.0 PHI 110 110 A 59 THR N A 59 THR CA A 59 THR C A 60 GLU N 1.0 -60.0 10.0 PSI 111 111 A 59 THR C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -115.0 -40.0 PHI 112 112 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 ASN N 1.0 -70.0 10.0 PSI 113 113 A 60 GLU C A 61 ASN N A 61 ASN CA A 61 ASN C 1.0 -97.0 -17.0 PHI 114 114 A 61 ASN N A 61 ASN CA A 61 ASN C A 62 PHE N 1.0 -87.0 -7.0 PSI 115 115 A 61 ASN C A 62 PHE N A 62 PHE CA A 62 PHE C 1.0 -97.0 -17.0 PHI 116 116 A 62 PHE N A 62 PHE CA A 62 PHE C A 63 GLU N 1.0 -87.0 -7.0 PSI 117 117 A 62 PHE C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -97.0 -17.0 PHI 118 118 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 ASP N 1.0 -87.0 -7.0 PSI 119 119 A 63 GLU C A 64 ASP N A 64 ASP CA A 64 ASP C 1.0 -97.0 -17.0 PHI 120 120 A 64 ASP N A 64 ASP CA A 64 ASP C A 65 VAL N 1.0 -87.0 -7.0 PSI 121 121 A 64 ASP C A 65 VAL N A 65 VAL CA A 65 VAL C 1.0 -97.0 -17.0 PHI 122 122 A 65 VAL N A 65 VAL CA A 65 VAL C A 66 GLY N 1.0 -87.0 -7.0 PSI 123 123 A 66 GLY C A 67 PHE N A 67 PHE CA A 67 PHE C 1.0 -140.0 -50.0 PHI 124 124 A 67 PHE N A 67 PHE CA A 67 PHE C A 68 SER N 1.0 100.0 200.0 PSI 125 125 A 67 PHE N A 67 PHE CA A 67 PHE CB A 67 PHE CG 1.0 -105.0 -15.0 CHI1 126 126 A 67 PHE C A 68 SER N A 68 SER CA A 68 SER C 1.0 -110.0 -40.0 PHI 127 127 A 68 SER N A 68 SER CA A 68 SER C A 69 THR N 1.0 100.0 215.0 PSI 128 128 A 68 SER C A 69 THR N A 69 THR CA A 69 THR C 1.0 -97.0 -17.0 PHI 129 129 A 69 THR N A 69 THR CA A 69 THR C A 70 ASP N 1.0 -87.0 -7.0 PSI 130 130 A 69 THR C A 70 ASP N A 70 ASP CA A 70 ASP C 1.0 -97.0 -17.0 PHI 131 131 A 70 ASP N A 70 ASP CA A 70 ASP C A 71 ALA N 1.0 -87.0 -7.0 PSI 132 132 A 70 ASP C A 71 ALA N A 71 ALA CA A 71 ALA C 1.0 -97.0 -17.0 PHI 133 133 A 71 ALA N A 71 ALA CA A 71 ALA C A 72 ARG N 1.0 -87.0 -7.0 PSI 134 134 A 71 ALA C A 72 ARG N A 72 ARG CA A 72 ARG C 1.0 -97.0 -17.0 PHI 135 135 A 72 ARG N A 72 ARG CA A 72 ARG C A 73 GLU N 1.0 -87.0 -7.0 PSI 136 136 A 72 ARG C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -97.0 -17.0 PHI 137 137 A 73 GLU N A 73 GLU CA A 73 GLU C A 74 LEU N 1.0 -87.0 -7.0 PSI 138 138 A 73 GLU C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -97.0 -17.0 PHI 139 139 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 SER N 1.0 -87.0 -7.0 PSI 140 140 A 74 LEU C A 75 SER N A 75 SER CA A 75 SER C 1.0 -97.0 -17.0 PHI 141 141 A 75 SER N A 75 SER CA A 75 SER C A 76 LYS N 1.0 -87.0 -7.0 PSI 142 142 A 75 SER C A 76 LYS N A 76 LYS CA A 76 LYS C 1.0 -90.0 -40.0 PHI 143 143 A 76 LYS N A 76 LYS CA A 76 LYS C A 77 LYS N 1.0 -70.0 10.0 PSI 144 144 A 76 LYS C A 77 LYS N A 77 LYS CA A 77 LYS C 1.0 -100.0 -40.0 PHI 145 145 A 77 LYS N A 77 LYS CA A 77 LYS C A 78 TYR N 1.0 -70.0 -10.0 PSI 146 146 A 77 LYS C A 78 TYR N A 78 TYR CA A 78 TYR C 1.0 -90.0 -40.0 PHI 147 147 A 78 TYR N A 78 TYR CA A 78 TYR C A 79 ILE N 1.0 -50.0 47.0 PSI 148 148 A 78 TYR C A 79 ILE N A 79 ILE CA A 79 ILE C 1.0 -179.0 -67.0 PHI 149 149 A 79 ILE N A 79 ILE CA A 79 ILE C A 80 ILE N 1.0 95.0 175.0 PSI 150 150 A 80 ILE C A 81 GLY N A 81 GLY CA A 81 GLY C 1.0 -179.0 -99.0 PHI 151 151 A 81 GLY N A 81 GLY CA A 81 GLY C A 82 GLU N 1.0 95.0 205.0 PSI 152 152 A 81 GLY C A 82 GLU N A 82 GLU CA A 82 GLU C 1.0 -179.0 -99.0 PHI 153 153 A 82 GLU N A 82 GLU CA A 82 GLU C A 83 LEU N 1.0 95.0 175.0 PSI 154 154 A 82 GLU C A 83 LEU N A 83 LEU CA A 83 LEU C 1.0 -179.0 -58.0 PHI 155 155 A 83 LEU N A 83 LEU CA A 83 LEU C A 84 HIS N 1.0 95.0 175.0 PSI 156 156 A 83 LEU C A 84 HIS N A 84 HIS CA A 84 HIS C 1.0 -179.0 -60.0 PHI 157 157 A 84 HIS N A 84 HIS CA A 84 HIS C A 85 PRO N 1.0 95.0 175.0 PSI 158 158 A 85 PRO N A 85 PRO CA A 85 PRO C A 86 ASP N 1.0 -50.0 0.0 PSI 159 159 A 85 PRO C A 86 ASP N A 86 ASP CA A 86 ASP C 1.0 -97.0 -17.0 PHI 160 160 A 86 ASP N A 86 ASP CA A 86 ASP C A 87 ASP N 1.0 -87.0 -7.0 PSI 161 161 A 86 ASP C A 87 ASP N A 87 ASP CA A 87 ASP C 1.0 -97.0 -17.0 PHI 162 162 A 87 ASP N A 87 ASP CA A 87 ASP C A 88 ARG N 1.0 -87.0 -7.0 PSI 163 163 A 87 ASP C A 88 ARG N A 88 ARG CA A 88 ARG C 1.0 -97.0 -17.0 PHI 164 164 A 88 ARG N A 88 ARG CA A 88 ARG C A 89 SER N 1.0 -87.0 -7.0 PSI 165 165 A 88 ARG C A 89 SER N A 89 SER CA A 89 SER C 1.0 -97.0 -17.0 PHI 166 166 A 89 SER N A 89 SER CA A 89 SER C A 90 LYS N 1.0 -87.0 -7.0 PSI 167 167 A 89 SER C A 90 LYS N A 90 LYS CA A 90 LYS C 1.0 -97.0 -17.0 PHI 168 168 A 90 LYS N A 90 LYS CA A 90 LYS C A 91 ILE N 1.0 -87.0 -7.0 PSI 169 169 A 90 LYS C A 91 ILE N A 91 ILE CA A 91 ILE C 1.0 -120.0 -40.0 PHI 170 170 A 91 ILE N A 91 ILE CA A 91 ILE C A 92 ALA N 1.0 -50.0 36.0 PSI 171 171 A 91 ILE C A 92 ALA N A 92 ALA CA A 92 ALA C 1.0 -110.0 -40.0 PHI 172 172 A 92 ALA N A 92 ALA CA A 92 ALA C A 93 LYS N 1.0 -50.0 10.0 PSI 173 173 A 92 ALA C A 93 LYS N A 93 LYS CA A 93 LYS C 1.0 -118.0 -50.0 PHI 174 174 A 93 LYS N A 93 LYS CA A 93 LYS C A 94 PRO N 1.0 80.0 170.0 PSI 175 175 A 94 PRO N A 94 PRO CA A 94 PRO C A 95 SER N 1.0 120.0 185.0 PSI 176 176 A 95 SER C A 96 GLU N A 96 GLU CA A 96 GLU C 1.0 -110.0 -40.0 PHI 177 177 A 96 GLU N A 96 GLU CA A 96 GLU C A 97 THR N 1.0 -15.5 180.0 PSI 178 178 A 96 GLU C A 97 THR N A 97 THR CA A 97 THR C 1.0 -187.1 -52.9 PHI 179 179 A 97 THR N A 97 THR CA A 97 THR C A 98 LEU N 1.0 -179.0 180.0 PSI stop_ save_