data_nef_c25757_2n6a save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2N6A PDB 3EWT PDB 4DJC stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 64 THR O 2 2 CA CA 1 142 GLU OE2 2 4 CA CA 1 97 ASP OD2 2 3 CA CA 1 33 GLU OE1 2 1 CA CA 1 28 THR O 2 1 CA CA 1 135 ASP OD2 2 4 CA CA 1 99 ASN OD1 2 3 CA CA 1 131 ASP OD1 2 4 CA CA 1 106 GLU OE1 2 3 CA CA 1 101 TYR O 2 3 CA CA 1 69 GLU OE2 2 2 CA CA 1 26 ASP OD2 2 1 CA CA 1 60 ASP OD1 2 2 CA CA 1 22 ASP OD1 2 1 CA CA 1 33 GLU OE2 2 1 CA CA 1 24 ASP OD2 2 1 CA CA 1 95 ASP OD1 2 3 CA CA 1 62 ASN OD1 2 2 CA CA 1 133 ASP OD1 2 4 CA CA 1 106 GLU OE2 2 3 CA CA 1 137 GLN O 2 4 CA CA 1 142 GLU OE1 2 4 CA CA 1 58 ASP OD1 2 2 CA CA 1 69 GLU OE1 2 2 CA CA stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -1 HIS start . . 2 A 0 HIS middle . . 3 A 1 HIS middle . . 4 A 2 HIS middle . . 5 A 3 HIS middle . . 6 A 4 HIS middle . . 7 A 5 THR middle . . 8 A 6 GLU middle . . 9 A 7 GLU middle . . 10 A 8 GLN middle . . 11 A 9 ILE middle . . 12 A 10 ALA middle . . 13 A 11 GLU middle . . 14 A 12 PHE middle . . 15 A 13 LYS middle . . 16 A 14 GLU middle . . 17 A 15 ALA middle . . 18 A 16 PHE middle . . 19 A 17 SER middle . . 20 A 18 LEU middle . . 21 A 19 PHE middle . . 22 A 20 ASP middle . . 23 A 21 LYS middle . . 24 A 22 ASP middle . . 25 A 23 GLY middle . false 26 A 24 ASP middle . . 27 A 25 GLY middle . false 28 A 26 THR middle . . 29 A 27 ILE middle . . 30 A 28 THR middle . . 31 A 29 THR middle . . 32 A 30 LYS middle . . 33 A 31 GLU middle . . 34 A 32 LEU middle . . 35 A 33 GLY middle . false 36 A 34 THR middle . . 37 A 35 VAL middle . . 38 A 36 MET middle . . 39 A 37 ARG middle . . 40 A 38 SER middle . . 41 A 39 LEU middle . . 42 A 40 GLY middle . false 43 A 41 GLN middle . . 44 A 42 ASN middle . . 45 A 43 PRO middle . false 46 A 44 THR middle . . 47 A 45 GLU middle . . 48 A 46 ALA middle . . 49 A 47 GLU middle . . 50 A 48 LEU middle . . 51 A 49 GLN middle . . 52 A 50 ASP middle . . 53 A 51 MET middle . . 54 A 52 ILE middle . . 55 A 53 ASN middle . . 56 A 54 GLU middle . . 57 A 55 VAL middle . . 58 A 56 ASP middle . . 59 A 57 ALA middle . . 60 A 58 ASP middle . . 61 A 59 GLY middle . false 62 A 60 ASN middle . . 63 A 61 GLY middle . false 64 A 62 THR middle . . 65 A 63 ILE middle . . 66 A 64 ASP middle . . 67 A 65 PHE middle . . 68 A 66 PRO middle . false 69 A 67 GLU middle . . 70 A 68 PHE middle . . 71 A 69 LEU middle . . 72 A 70 THR middle . . 73 A 71 MET middle . . 74 A 72 MET middle . . 75 A 73 ALA middle . . 76 A 74 ARG middle . . 77 A 75 LYS middle . . 78 A 76 MET middle . . 79 A 77 LYS middle . . 80 A 78 ASP middle . . 81 A 79 THR middle . . 82 A 80 ASP middle . . 83 A 81 SER middle . . 84 A 82 GLU middle . . 85 A 83 GLU middle . . 86 A 84 GLU middle . . 87 A 85 ILE middle . . 88 A 86 ARG middle . . 89 A 87 GLU middle . . 90 A 88 ALA middle . . 91 A 89 PHE middle . . 92 A 90 ARG middle . . 93 A 91 VAL middle . . 94 A 92 PHE middle . . 95 A 93 ASP middle . . 96 A 94 LYS middle . . 97 A 95 ASP middle . . 98 A 96 GLY middle . false 99 A 97 ASN middle . . 100 A 98 GLY middle . false 101 A 99 TYR middle . . 102 A 100 ILE middle . . 103 A 101 SER middle . . 104 A 102 ALA middle . . 105 A 103 ALA middle . . 106 A 104 GLU middle . . 107 A 105 LEU middle . . 108 A 106 ARG middle . . 109 A 107 HIS middle . . 110 A 108 VAL middle . . 111 A 109 MET middle . . 112 A 110 THR middle . . 113 A 111 ASN middle . . 114 A 112 LEU middle . . 115 A 113 GLY middle . false 116 A 114 GLU middle . . 117 A 115 LYS middle . . 118 A 116 LEU middle . . 119 A 117 THR middle . . 120 A 118 ASP middle . . 121 A 119 GLU middle . . 122 A 120 GLU middle . . 123 A 121 VAL middle . . 124 A 122 ASP middle . . 125 A 123 GLU middle . . 126 A 124 MET middle . . 127 A 125 ILE middle . . 128 A 126 ARG middle . . 129 A 127 GLU middle . . 130 A 128 ALA middle . . 131 A 129 ASP middle . . 132 A 130 ILE middle . . 133 A 131 ASP middle . . 134 A 132 GLY middle . false 135 A 133 ASP middle . . 136 A 134 GLY middle . false 137 A 135 GLN middle . . 138 A 136 VAL middle . . 139 A 137 ASN middle . . 140 A 138 TYR middle . . 141 A 139 GLU middle . . 142 A 140 GLU middle . . 143 A 141 PHE middle . . 144 A 142 VAL middle . . 145 A 143 GLN middle . . 146 A 144 MET middle . . 147 A 145 MET middle . . 148 A 146 THR middle . . 149 A 147 GLY middle . false 150 A 148 ALA middle . . 151 A 149 SER middle . . 152 A 150 THR middle . . 153 A 151 ALA middle . . 154 A 152 ALA middle . . 155 A 153 GLY middle . false 156 A 154 SER middle . . 157 A 155 GLY middle . false 158 A 156 TRP middle . . 159 A 157 ARG middle . . 160 A 158 LYS middle . . 161 A 159 ILE middle . . 162 A 160 LYS middle . . 163 A 161 LEU middle . . 164 A 162 ALA middle . . 165 A 163 VAL middle . . 166 A 164 ARG middle . . 167 A 165 GLY middle . false 168 A 166 ALA middle . . 169 A 167 GLN middle . . 170 A 168 ALA middle . . 171 A 169 LYS middle . . 172 A 170 ARG middle . . 173 A 171 LYS end . . 174 B 1 CA . . . 175 B 2 CA . . . 176 B 3 CA . . . 177 B 4 CA . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 4 HIS HA H 1 4.671 0.000 A 4 HIS HBy H 1 2.508 0.000 A 4 HIS HBx H 1 1.980 0.000 A 4 HIS C C 13 176.173 0.000 A 4 HIS CA C 13 55.635 0.000 A 4 HIS CB C 13 35.158 0.000 A 5 THR H H 1 8.585 0.003 A 5 THR HA H 1 4.779 0.000 A 5 THR HB H 1 4.430 0.000 A 5 THR HG2% H 1 1.307 0.000 A 5 THR C C 13 175.352 0.000 A 5 THR CA C 13 60.900 0.000 A 5 THR CB C 13 71.022 0.059 A 5 THR N N 15 112.910 0.000 A 6 GLU H H 1 9.071 0.004 A 6 GLU HA H 1 3.950 0.000 A 6 GLU HB2 H 1 2.028 0.000 A 6 GLU HGy H 1 2.352 0.000 A 6 GLU HGx H 1 2.340 0.000 A 6 GLU C C 13 179.499 0.014 A 6 GLU CA C 13 59.964 0.000 A 6 GLU CB C 13 29.190 0.000 A 6 GLU N N 15 120.470 0.000 A 7 GLU H H 1 8.780 0.003 A 7 GLU HA H 1 4.058 0.000 A 7 GLU HBy H 1 1.980 0.000 A 7 GLU HBx H 1 1.932 0.000 A 7 GLU HGx H 1 2.304 0.000 A 7 GLU HGy H 1 2.328 0.000 A 7 GLU C C 13 179.075 0.000 A 7 GLU CA C 13 60.023 0.059 A 7 GLU CB C 13 29.307 0.000 A 7 GLU N N 15 119.500 0.000 A 8 GLN H H 1 7.734 0.004 A 8 GLN HA H 1 3.926 0.000 A 8 GLN HBy H 1 1.644 0.000 A 8 GLN HBx H 1 1.427 0.000 A 8 GLN HGy H 1 1.920 0.000 A 8 GLN HGx H 1 1.896 0.000 A 8 GLN CA C 13 60.143 0.000 A 8 GLN CB C 13 32.411 0.000 A 8 GLN N N 15 120.577 0.002 A 9 ILE H H 1 7.366 0.020 A 9 ILE HA H 1 3.757 0.012 A 9 ILE HB H 1 1.948 0.019 A 9 ILE HD1% H 1 0.788 0.020 A 9 ILE HG1x H 1 1.115 0.001 A 9 ILE HG1y H 1 1.690 0.005 A 9 ILE HG2% H 1 1.054 0.005 A 9 ILE C C 13 177.828 0.010 A 9 ILE CA C 13 65.604 0.100 A 9 ILE CB C 13 37.598 0.076 A 9 ILE CD1 C 13 12.783 0.013 A 9 ILE CG1 C 13 29.644 0.082 A 9 ILE CG2 C 13 17.518 0.298 A 9 ILE N N 15 116.733 0.064 A 10 ALA H H 1 8.039 0.007 A 10 ALA HA H 1 4.075 0.020 A 10 ALA HB% H 1 1.483 0.013 A 10 ALA C C 13 180.921 0.010 A 10 ALA CA C 13 55.603 0.000 A 10 ALA CB C 13 17.984 0.039 A 10 ALA N N 15 121.080 0.000 A 11 GLU H H 1 7.741 0.010 A 11 GLU HA H 1 4.089 0.012 A 11 GLU HBy H 1 1.980 0.000 A 11 GLU HBx H 1 1.920 0.000 A 11 GLU HGx H 1 2.304 0.000 A 11 GLU HGy H 1 2.328 0.000 A 11 GLU C C 13 179.561 0.000 A 11 GLU CA C 13 59.885 0.000 A 11 GLU CB C 13 29.463 0.000 A 11 GLU N N 15 119.580 0.000 A 12 PHE H H 1 8.470 0.015 A 12 PHE HA H 1 4.826 0.009 A 12 PHE HB3 H 1 3.416 0.032 A 12 PHE HD1 H 1 7.144 0.014 A 12 PHE HD2 H 1 7.144 0.014 A 12 PHE HE1 H 1 6.722 0.007 A 12 PHE HE2 H 1 6.722 0.007 A 12 PHE C C 13 179.000 0.042 A 12 PHE CA C 13 60.164 0.000 A 12 PHE CB C 13 38.110 0.000 A 12 PHE CD1 C 13 130.628 0.000 A 12 PHE CD2 C 13 130.628 0.000 A 12 PHE CE1 C 13 131.775 0.025 A 12 PHE CE2 C 13 131.775 0.025 A 12 PHE N N 15 118.509 0.000 A 13 LYS H H 1 9.171 0.012 A 13 LYS HA H 1 4.026 0.016 A 13 LYS HB3 H 1 1.879 0.017 A 13 LYS HD3 H 1 0.954 0.012 A 13 LYS HE3 H 1 2.472 0.000 A 13 LYS HG3 H 1 1.173 0.014 A 13 LYS C C 13 179.260 0.010 A 13 LYS CA C 13 60.164 0.000 A 13 LYS CB C 13 31.833 0.083 A 13 LYS N N 15 123.523 0.000 A 14 GLU H H 1 7.822 0.012 A 14 GLU HA H 1 4.095 0.001 A 14 GLU HB3 H 1 2.184 0.000 A 14 GLU HG3 H 1 2.436 0.000 A 14 GLU C C 13 179.851 0.000 A 14 GLU CA C 13 59.586 0.083 A 14 GLU CB C 13 29.561 0.041 A 14 GLU N N 15 120.415 0.000 A 15 ALA H H 1 8.244 0.011 A 15 ALA HA H 1 4.130 0.018 A 15 ALA HB% H 1 1.886 0.015 A 15 ALA C C 13 178.222 0.010 A 15 ALA CA C 13 55.190 0.131 A 15 ALA CB C 13 18.502 0.083 A 15 ALA N N 15 122.143 0.130 A 16 PHE H H 1 8.891 0.011 A 16 PHE HA H 1 4.012 0.021 A 16 PHE HBy H 1 3.188 0.018 A 16 PHE HBx H 1 2.935 0.027 A 16 PHE HD1 H 1 6.591 0.008 A 16 PHE HD2 H 1 6.591 0.008 A 16 PHE HE1 H 1 6.904 0.008 A 16 PHE HE2 H 1 6.904 0.008 A 16 PHE C C 13 177.444 0.000 A 16 PHE CA C 13 62.064 0.083 A 16 PHE CB C 13 39.432 0.000 A 16 PHE CD1 C 13 131.927 0.170 A 16 PHE CD2 C 13 131.927 0.170 A 16 PHE CE1 C 13 132.044 0.165 A 16 PHE CE2 C 13 132.044 0.165 A 16 PHE N N 15 119.809 0.142 A 17 SER H H 1 7.910 0.015 A 17 SER HA H 1 4.034 0.027 A 17 SER C C 13 174.675 0.000 A 17 SER CA C 13 61.507 0.085 A 17 SER CB C 13 63.414 0.111 A 17 SER N N 15 112.631 0.000 A 18 LEU H H 1 7.423 0.010 A 18 LEU HA H 1 4.012 0.014 A 18 LEU HBy H 1 1.843 0.016 A 18 LEU HBx H 1 1.617 0.025 A 18 LEU HDx% H 1 0.661 0.008 A 18 LEU HDy% H 1 0.794 0.011 A 18 LEU C C 13 177.366 0.008 A 18 LEU CA C 13 57.386 0.078 A 18 LEU CB C 13 41.595 0.071 A 18 LEU CDx C 13 25.239 0.022 A 18 LEU CDy C 13 25.260 0.061 A 18 LEU N N 15 120.614 0.056 A 19 PHE H H 1 7.254 0.005 A 19 PHE C C 13 176.961 0.000 A 19 PHE CA C 13 59.484 0.000 A 19 PHE CB C 13 40.769 0.000 A 19 PHE N N 15 114.602 0.050 A 22 ASP HA H 1 4.575 0.000 A 22 ASP HBy H 1 3.037 0.000 A 22 ASP HBx H 1 2.611 0.005 A 22 ASP CA C 13 52.648 0.000 A 22 ASP CB C 13 40.010 0.000 A 23 GLY H H 1 7.555 0.003 A 23 GLY HA2 H 1 3.824 0.008 A 23 GLY C C 13 175.188 0.000 A 23 GLY CA C 13 47.403 0.000 A 23 GLY N N 15 108.244 0.000 A 24 ASP H H 1 8.397 0.016 A 24 ASP HA H 1 4.469 0.010 A 24 ASP HBy H 1 3.009 0.004 A 24 ASP HBx H 1 2.413 0.011 A 24 ASP C C 13 177.457 0.000 A 24 ASP CA C 13 53.792 0.056 A 24 ASP CB C 13 40.516 0.067 A 24 ASP N N 15 120.667 0.000 A 25 GLY H H 1 10.592 0.010 A 25 GLY HAy H 1 4.334 0.008 A 25 GLY HAx H 1 3.688 0.021 A 25 GLY C C 13 173.639 0.008 A 25 GLY CA C 13 45.501 0.053 A 25 GLY N N 15 112.989 0.045 A 26 THR H H 1 8.121 0.013 A 26 THR HA H 1 5.282 0.007 A 26 THR HB H 1 3.799 0.010 A 26 THR HG2% H 1 0.979 0.017 A 26 THR C C 13 172.853 0.000 A 26 THR CA C 13 59.817 0.070 A 26 THR CB C 13 72.465 0.076 A 26 THR CG2 C 13 21.696 0.200 A 26 THR N N 15 112.948 0.050 A 27 ILE H H 1 9.867 0.007 A 27 ILE HA H 1 4.913 0.016 A 27 ILE HB H 1 1.740 0.020 A 27 ILE HD1% H 1 0.193 0.013 A 27 ILE HG2% H 1 0.887 0.012 A 27 ILE C C 13 176.091 0.008 A 27 ILE CA C 13 60.765 0.223 A 27 ILE CB C 13 39.705 0.096 A 27 ILE CD1 C 13 15.891 0.085 A 27 ILE CG1 C 13 26.953 0.152 A 27 ILE CG2 C 13 17.907 0.115 A 27 ILE N N 15 127.195 0.049 A 28 THR H H 1 8.457 0.011 A 28 THR HA H 1 4.790 0.000 A 28 THR HG2% H 1 1.263 0.008 A 28 THR C C 13 176.696 0.000 A 28 THR CA C 13 59.590 0.000 A 28 THR CB C 13 72.457 0.000 A 28 THR N N 15 116.655 0.000 A 29 THR H H 1 9.211 0.013 A 29 THR HA H 1 4.188 0.018 A 29 THR HB H 1 3.782 0.017 A 29 THR HG2% H 1 1.238 0.009 A 29 THR C C 13 177.399 0.000 A 29 THR CA C 13 66.386 0.097 A 29 THR CB C 13 67.726 0.052 A 29 THR CG2 C 13 23.382 0.095 A 29 THR N N 15 111.878 0.054 A 30 LYS H H 1 7.580 0.005 A 30 LYS HA H 1 4.077 0.016 A 30 LYS HB3 H 1 1.794 0.003 A 30 LYS HE3 H 1 2.952 0.000 A 30 LYS HG3 H 1 1.436 0.010 A 30 LYS C C 13 179.793 0.021 A 30 LYS CA C 13 59.292 0.128 A 30 LYS CB C 13 32.447 0.000 A 30 LYS CD C 13 29.301 0.000 A 30 LYS CE C 13 42.424 0.000 A 30 LYS CG C 13 25.039 0.000 A 30 LYS N N 15 121.140 0.000 A 31 GLU H H 1 7.708 0.011 A 31 GLU HA H 1 3.994 0.003 A 31 GLU HB3 H 1 2.620 0.013 A 31 GLU HG3 H 1 2.360 0.019 A 31 GLU C C 13 179.355 0.011 A 31 GLU CA C 13 59.633 0.128 A 31 GLU CB C 13 29.852 0.043 A 31 GLU CG C 13 38.722 0.000 A 31 GLU N N 15 121.865 0.000 A 32 LEU H H 1 8.688 0.010 A 32 LEU HA H 1 4.116 0.007 A 32 LEU HBy H 1 1.839 0.012 A 32 LEU HBx H 1 1.548 0.016 A 32 LEU HDx% H 1 0.776 0.006 A 32 LEU HDy% H 1 0.830 0.003 A 32 LEU C C 13 178.885 0.032 A 32 LEU CA C 13 58.361 0.047 A 32 LEU CB C 13 43.036 0.038 A 32 LEU CDy C 13 25.630 0.000 A 32 LEU CDx C 13 23.745 0.093 A 32 LEU N N 15 120.597 0.000 A 33 GLY H H 1 8.694 0.009 A 33 GLY HAy H 1 4.417 0.000 A 33 GLY HAx H 1 4.125 0.016 A 33 GLY C C 13 175.123 0.011 A 33 GLY CA C 13 48.247 0.000 A 33 GLY N N 15 104.837 0.000 A 34 THR H H 1 7.960 0.019 A 34 THR HA H 1 3.899 0.005 A 34 THR HB H 1 4.282 0.003 A 34 THR HG2% H 1 1.220 0.009 A 34 THR C C 13 176.951 0.000 A 34 THR CA C 13 67.234 0.169 A 34 THR CB C 13 68.863 0.061 A 34 THR CG2 C 13 21.277 0.029 A 34 THR N N 15 117.631 0.002 A 35 VAL H H 1 7.358 0.013 A 35 VAL HA H 1 3.517 0.022 A 35 VAL HB H 1 1.832 0.011 A 35 VAL HG1% H 1 0.333 0.010 A 35 VAL C C 13 178.265 0.011 A 35 VAL CA C 13 66.675 0.014 A 35 VAL CB C 13 31.293 0.115 A 35 VAL CG1 C 13 22.694 0.087 A 35 VAL N N 15 121.659 0.000 A 36 MET H H 1 8.194 0.009 A 36 MET HE% H 1 1.960 0.004 A 36 MET C C 13 179.088 0.000 A 36 MET CA C 13 60.477 0.000 A 36 MET CB C 13 32.443 0.000 A 36 MET CE C 13 17.519 0.012 A 36 MET N N 15 117.456 0.000 A 37 ARG CA C 13 59.147 0.000 A 37 ARG CB C 13 30.350 0.000 A 38 SER HA H 1 4.085 0.010 A 38 SER HB3 H 1 3.768 0.011 A 38 SER C C 13 173.788 0.000 A 38 SER CA C 13 61.617 0.034 A 38 SER CB C 13 62.943 0.030 A 39 LEU H H 1 7.230 0.012 A 39 LEU HA H 1 4.494 0.008 A 39 LEU HBy H 1 1.897 0.021 A 39 LEU HBx H 1 1.733 0.016 A 39 LEU HDx% H 1 0.742 0.008 A 39 LEU HDy% H 1 0.831 0.008 A 39 LEU C C 13 176.470 0.011 A 39 LEU CA C 13 53.679 0.054 A 39 LEU CB C 13 41.514 0.083 A 39 LEU CDy C 13 26.385 0.078 A 39 LEU CDx C 13 22.755 0.085 A 39 LEU N N 15 119.003 0.000 A 40 GLY H H 1 7.698 0.010 A 40 GLY HAy H 1 4.124 0.008 A 40 GLY HAx H 1 3.729 0.011 A 40 GLY C C 13 174.322 0.021 A 40 GLY CA C 13 46.215 0.010 A 40 GLY N N 15 105.026 0.066 A 41 GLN H H 1 7.866 0.012 A 41 GLN C C 13 174.557 0.000 A 41 GLN CB C 13 30.844 0.000 A 41 GLN N N 15 117.929 0.000 A 43 PRO HA H 1 4.736 0.016 A 43 PRO HB3 H 1 2.173 0.000 A 43 PRO HD3 H 1 3.645 0.000 A 43 PRO HG3 H 1 1.958 0.000 A 43 PRO C C 13 177.805 0.000 A 43 PRO CA C 13 62.505 0.000 A 43 PRO CB C 13 32.162 0.000 A 43 PRO CG C 13 27.506 0.000 A 44 THR H H 1 8.798 0.004 A 44 THR HA H 1 4.684 0.018 A 44 THR HB H 1 4.441 0.001 A 44 THR HG2% H 1 1.318 0.008 A 44 THR C C 13 175.139 0.017 A 44 THR CA C 13 60.556 0.070 A 44 THR CB C 13 71.064 0.070 A 44 THR N N 15 113.167 0.000 A 45 GLU H H 1 8.812 0.007 A 45 GLU HA H 1 3.991 0.019 A 45 GLU HB3 H 1 2.002 0.017 A 45 GLU HG3 H 1 2.303 0.009 A 45 GLU C C 13 178.940 0.008 A 45 GLU CA C 13 59.901 0.180 A 45 GLU CB C 13 29.029 0.003 A 45 GLU CG C 13 36.114 0.000 A 45 GLU N N 15 120.673 0.000 A 46 ALA H H 1 8.276 0.014 A 46 ALA HA H 1 3.967 0.021 A 46 ALA HB% H 1 1.340 0.013 A 46 ALA C C 13 180.290 0.000 A 46 ALA CA C 13 54.919 0.000 A 46 ALA CB C 13 18.161 0.213 A 46 ALA N N 15 120.576 0.000 A 47 GLU H H 1 7.425 0.004 A 47 GLU HA H 1 4.000 0.000 A 47 GLU HB3 H 1 1.872 0.000 A 47 GLU HG3 H 1 2.334 0.000 A 47 GLU C C 13 180.224 0.000 A 47 GLU CA C 13 58.931 0.141 A 47 GLU CB C 13 29.989 0.192 A 47 GLU CG C 13 34.427 0.000 A 47 GLU N N 15 116.104 0.003 A 48 LEU H H 1 8.121 0.013 A 48 LEU HA H 1 4.050 0.007 A 48 LEU HBy H 1 2.079 0.013 A 48 LEU HBx H 1 1.727 0.005 A 48 LEU HDx% H 1 0.822 0.011 A 48 LEU HDy% H 1 0.836 0.019 A 48 LEU C C 13 178.551 0.000 A 48 LEU CA C 13 57.839 0.114 A 48 LEU CB C 13 42.569 0.073 A 48 LEU CDy C 13 26.255 0.176 A 48 LEU CDx C 13 23.838 0.000 A 48 LEU N N 15 120.425 0.000 A 49 GLN H H 1 8.302 0.011 A 49 GLN HA H 1 3.762 0.013 A 49 GLN HB3 H 1 2.152 0.000 A 49 GLN HG3 H 1 2.431 0.000 A 49 GLN C C 13 178.567 0.000 A 49 GLN CA C 13 58.863 0.143 A 49 GLN CB C 13 28.242 0.087 A 49 GLN N N 15 118.372 0.000 A 50 ASP H H 1 8.150 0.004 A 50 ASP HA H 1 4.360 0.005 A 50 ASP HBy H 1 2.774 0.012 A 50 ASP HBx H 1 2.657 0.000 A 50 ASP C C 13 178.600 0.000 A 50 ASP CA C 13 57.703 0.114 A 50 ASP CB C 13 40.467 0.118 A 50 ASP N N 15 119.992 0.000 A 51 MET H H 1 7.844 0.008 A 51 MET HA H 1 3.981 0.008 A 51 MET HE% H 1 1.802 0.003 A 51 MET C C 13 179.006 0.008 A 51 MET CA C 13 59.443 0.070 A 51 MET CB C 13 33.380 0.035 A 51 MET CE C 13 18.078 0.095 A 51 MET N N 15 119.238 0.000 A 52 ILE H H 1 7.686 0.007 A 52 ILE HA H 1 3.478 0.014 A 52 ILE HB H 1 1.901 0.018 A 52 ILE HD1% H 1 0.696 0.012 A 52 ILE HG1x H 1 0.985 0.015 A 52 ILE HG1y H 1 1.648 0.017 A 52 ILE HG2% H 1 0.620 0.015 A 52 ILE C C 13 177.847 0.008 A 52 ILE CA C 13 64.995 0.175 A 52 ILE CB C 13 37.123 0.111 A 52 ILE CD1 C 13 13.127 0.062 A 52 ILE CG1 C 13 29.147 0.135 A 52 ILE CG2 C 13 15.956 0.059 A 52 ILE N N 15 118.161 0.000 A 53 ASN H H 1 8.713 0.005 A 53 ASN HA H 1 4.365 0.011 A 53 ASN HBy H 1 2.990 0.000 A 53 ASN HBx H 1 2.829 0.000 A 53 ASN C C 13 177.515 0.058 A 53 ASN CA C 13 56.207 0.104 A 53 ASN CB C 13 38.078 0.000 A 53 ASN N N 15 117.884 0.013 A 54 GLU H H 1 7.530 0.007 A 54 GLU HA H 1 3.989 0.020 A 54 GLU HBy H 1 2.216 0.000 A 54 GLU HBx H 1 2.046 0.023 A 54 GLU HG3 H 1 2.443 0.010 A 54 GLU C C 13 177.557 0.000 A 54 GLU CA C 13 58.990 0.035 A 54 GLU CB C 13 30.463 0.041 A 54 GLU CG C 13 36.563 0.000 A 54 GLU N N 15 116.178 0.000 A 55 VAL H H 1 7.175 0.013 A 55 VAL HA H 1 4.522 0.006 A 55 VAL HB H 1 2.443 0.007 A 55 VAL HGx% H 1 0.855 0.012 A 55 VAL HGy% H 1 0.749 0.014 A 55 VAL C C 13 175.602 0.000 A 55 VAL CA C 13 60.352 0.137 A 55 VAL CB C 13 32.603 0.041 A 55 VAL CGx C 13 18.934 0.051 A 55 VAL CGy C 13 21.792 0.103 A 55 VAL N N 15 107.164 0.000 A 56 ASP H H 1 7.569 0.007 A 56 ASP HA H 1 4.599 0.014 A 56 ASP HBy H 1 2.732 0.000 A 56 ASP HBx H 1 2.612 0.021 A 56 ASP C C 13 176.182 0.000 A 56 ASP CA C 13 53.806 0.070 A 56 ASP CB C 13 40.270 0.035 A 56 ASP N N 15 122.126 0.000 A 57 ALA H H 1 8.515 0.009 A 57 ALA HA H 1 4.180 0.017 A 57 ALA HB% H 1 1.485 0.016 A 57 ALA C C 13 178.584 0.000 A 57 ALA CA C 13 54.344 0.159 A 57 ALA CB C 13 19.524 0.058 A 57 ALA N N 15 131.75 0.000 A 58 ASP H H 1 8.130 0.008 A 58 ASP HA H 1 4.586 0.008 A 58 ASP HBy H 1 3.024 0.020 A 58 ASP HBx H 1 2.603 0.000 A 58 ASP C C 13 177.756 0.050 A 58 ASP CA C 13 52.762 0.139 A 58 ASP CB C 13 39.678 0.070 A 58 ASP N N 15 113.602 0.000 A 59 GLY H H 1 7.694 0.005 A 59 GLY C C 13 175.139 0.017 A 59 GLY CA C 13 47.264 0.070 A 59 GLY N N 15 109.195 0.000 A 60 ASN HA H 1 4.605 0.007 A 60 ASN HBy H 1 3.309 0.019 A 60 ASN HBx H 1 2.610 0.004 A 61 GLY H H 1 10.633 0.015 A 61 GLY HAy H 1 4.183 0.000 A 61 GLY HAx H 1 3.442 0.016 A 61 GLY C C 13 173.234 0.000 A 61 GLY CA C 13 45.698 0.035 A 61 GLY N N 15 113.316 0.088 A 62 THR H H 1 7.673 0.009 A 62 THR HA H 1 4.736 0.016 A 62 THR HB H 1 3.989 0.012 A 62 THR HG2% H 1 1.097 0.012 A 62 THR C C 13 173.091 0.199 A 62 THR CA C 13 59.617 0.035 A 62 THR CB C 13 72.004 0.035 A 62 THR CG2 C 13 22.604 0.014 A 62 THR N N 15 108.892 0.115 A 63 ILE H H 1 8.907 0.004 A 63 ILE HA H 1 5.129 0.009 A 63 ILE HB H 1 2.038 0.017 A 63 ILE HD1% H 1 0.781 0.034 A 63 ILE HG13 H 1 1.582 0.015 A 63 ILE HG2% H 1 1.194 0.015 A 63 ILE C C 13 175.652 0.000 A 63 ILE CA C 13 60.486 0.070 A 63 ILE CB C 13 39.957 0.070 A 63 ILE CD1 C 13 13.732 0.000 A 63 ILE CG1 C 13 27.566 0.000 A 63 ILE CG2 C 13 18.580 0.076 A 63 ILE N N 15 123.324 0.031 A 64 ASP H H 1 8.864 0.005 A 64 ASP HA H 1 5.321 0.024 A 64 ASP HBy H 1 3.065 0.011 A 64 ASP HBx H 1 2.850 0.000 A 64 ASP C C 13 176.431 0.017 A 64 ASP CA C 13 52.331 0.013 A 64 ASP CB C 13 42.053 0.061 A 64 ASP N N 15 128.253 0.000 A 65 PHE H H 1 8.962 0.004 A 65 PHE HA H 1 3.860 0.000 A 65 PHE HBy H 1 2.206 0.000 A 65 PHE HBx H 1 1.905 0.000 A 65 PHE HE1 H 1 7.032 0.000 A 65 PHE HE2 H 1 7.032 0.000 A 65 PHE C C 13 173.458 0.000 A 65 PHE CA C 13 63.799 0.000 A 65 PHE CB C 13 35.880 0.000 A 65 PHE CE1 C 13 129.339 0.000 A 65 PHE CE2 C 13 129.339 0.000 A 65 PHE N N 15 118.583 0.000 A 66 PRO HA H 1 4.118 0.000 A 66 PRO HB3 H 1 2.549 0.000 A 66 PRO HD3 H 1 2.915 0.000 A 66 PRO HG3 H 1 2.055 0.000 A 66 PRO C C 13 180.038 0.000 A 66 PRO CA C 13 66.690 0.000 A 66 PRO CB C 13 30.677 0.000 A 67 GLU H H 1 7.953 0.010 A 67 GLU C C 13 178.737 0.010 A 67 GLU CA C 13 59.008 0.000 A 67 GLU CB C 13 29.685 0.083 A 67 GLU CG C 13 37.126 0.000 A 67 GLU N N 15 118.402 0.000 A 68 PHE H H 1 8.928 0.013 A 68 PHE HA H 1 3.972 0.025 A 68 PHE HB3 H 1 3.178 0.024 A 68 PHE HD1 H 1 6.725 0.004 A 68 PHE HD2 H 1 6.725 0.004 A 68 PHE C C 13 177.184 0.010 A 68 PHE CA C 13 61.338 0.189 A 68 PHE CB C 13 39.969 0.041 A 68 PHE CD1 C 13 132.092 0.126 A 68 PHE CD2 C 13 132.092 0.126 A 68 PHE N N 15 123.421 0.026 A 69 LEU H H 1 8.374 0.011 A 69 LEU HA H 1 3.335 0.023 A 69 LEU HB3 H 1 1.508 0.020 A 69 LEU HDx% H 1 0.458 0.023 A 69 LEU HDy% H 1 0.500 0.008 A 69 LEU C C 13 178.987 0.010 A 69 LEU CA C 13 57.862 0.065 A 69 LEU CB C 13 40.832 0.054 A 69 LEU CDy C 13 25.559 0.047 A 69 LEU CDx C 13 23.931 0.000 A 69 LEU N N 15 119.284 0.000 A 70 THR H H 1 7.493 0.010 A 70 THR HA H 1 4.338 0.014 A 70 THR HB H 1 3.728 0.014 A 70 THR HG2% H 1 1.175 0.026 A 70 THR C C 13 176.169 0.046 A 70 THR CA C 13 66.700 0.160 A 70 THR CB C 13 68.379 0.110 A 70 THR CG2 C 13 22.297 0.185 A 70 THR N N 15 116.017 0.000 A 71 MET H H 1 7.924 0.009 A 71 MET HA H 1 3.718 0.019 A 71 MET HBy H 1 2.457 0.007 A 71 MET HBx H 1 2.091 0.026 A 71 MET HE% H 1 1.728 0.002 A 71 MET C C 13 178.190 0.000 A 71 MET CA C 13 59.335 0.170 A 71 MET CB C 13 33.894 0.085 A 71 MET CE C 13 17.537 0.015 A 71 MET CG C 13 31.511 0.000 A 71 MET N N 15 121.915 0.000 A 72 MET H H 1 8.276 0.013 A 72 MET HA H 1 3.968 0.011 A 72 MET HB3 H 1 1.240 0.007 A 72 MET HE% H 1 1.637 0.001 A 72 MET HG3 H 1 1.056 0.013 A 72 MET C C 13 178.211 0.000 A 72 MET CA C 13 56.059 0.043 A 72 MET CB C 13 31.639 0.128 A 72 MET CE C 13 18.203 0.043 A 72 MET CG C 13 32.290 0.000 A 72 MET N N 15 116.973 0.000 A 73 ALA H H 1 8.240 0.011 A 73 ALA HA H 1 3.950 0.010 A 73 ALA HB% H 1 1.275 0.016 A 73 ALA C C 13 180.231 0.011 A 73 ALA CA C 13 54.953 0.043 A 73 ALA CB C 13 18.032 0.201 A 73 ALA N N 15 122.499 0.000 A 74 ARG H H 1 7.420 0.009 A 74 ARG HA H 1 3.992 0.018 A 74 ARG C C 13 178.567 0.033 A 74 ARG CA C 13 58.825 0.000 A 74 ARG CB C 13 30.075 0.000 A 74 ARG CD C 13 43.874 0.000 A 74 ARG N N 15 116.098 0.025 A 75 LYS H H 1 7.862 0.022 A 75 LYS HA H 1 4.043 0.000 A 75 LYS HB3 H 1 1.915 0.000 A 75 LYS HE3 H 1 3.216 0.000 A 75 LYS HG3 H 1 1.690 0.000 A 75 LYS C C 13 179.045 0.000 A 75 LYS CA C 13 57.889 0.000 A 75 LYS CB C 13 31.766 0.000 A 75 LYS N N 15 119.046 0.064 A 76 MET H H 1 8.099 0.001 A 76 MET N N 15 116.772 0.000 A 78 ASP HA H 1 4.634 0.000 A 78 ASP HBy H 1 2.754 0.000 A 78 ASP HBx H 1 2.657 0.000 A 78 ASP C C 13 176.395 0.000 A 78 ASP CA C 13 54.644 0.000 A 78 ASP CB C 13 41.474 0.000 A 79 THR H H 1 8.039 0.003 A 79 THR HA H 1 4.215 0.000 A 79 THR HG2% H 1 1.174 0.000 A 79 THR C C 13 174.204 0.011 A 79 THR CA C 13 62.264 0.188 A 79 THR CB C 13 69.884 0.000 A 79 THR CG2 C 13 21.605 0.000 A 79 THR N N 15 113.904 0.020 A 80 ASP H H 1 8.441 0.003 A 80 ASP HA H 1 4.720 0.000 A 80 ASP HBy H 1 2.754 0.000 A 80 ASP HBx H 1 2.603 0.000 A 80 ASP C C 13 176.221 0.003 A 80 ASP CA C 13 54.315 0.047 A 80 ASP CB C 13 41.427 0.047 A 80 ASP N N 15 123.572 0.000 A 81 SER H H 1 8.503 0.003 A 81 SER HA H 1 3.925 0.000 A 81 SER C C 13 175.264 0.000 A 81 SER CA C 13 58.860 0.017 A 81 SER CB C 13 63.790 0.074 A 81 SER N N 15 117.879 0.000 A 82 GLU H H 1 8.563 0.006 A 82 GLU HA H 1 4.058 0.006 A 82 GLU HB3 H 1 2.152 0.000 A 82 GLU HG3 H 1 2.356 0.000 A 82 GLU C C 13 178.378 0.000 A 82 GLU CA C 13 59.586 0.000 A 82 GLU CB C 13 29.603 0.000 A 82 GLU N N 15 123.206 0.000 A 83 GLU H H 1 7.728 0.003 A 83 GLU HA H 1 3.957 0.000 A 83 GLU HB3 H 1 2.034 0.000 A 83 GLU HG3 H 1 2.313 0.000 A 83 GLU C C 13 178.606 0.000 A 83 GLU CA C 13 59.669 0.000 A 83 GLU CB C 13 29.355 0.000 A 83 GLU N N 15 119.262 0.000 A 84 GLU H H 1 8.346 0.002 A 84 GLU HA H 1 4.107 0.000 A 84 GLU HB3 H 1 2.098 0.000 A 84 GLU HG3 H 1 2.334 0.000 A 84 GLU C C 13 179.436 0.021 A 84 GLU CA C 13 59.503 0.000 A 84 GLU CB C 13 29.107 0.000 A 84 GLU N N 15 118.432 0.000 A 85 ILE H H 1 7.821 0.019 A 85 ILE HA H 1 3.748 0.021 A 85 ILE HB H 1 2.108 0.021 A 85 ILE HD1% H 1 0.652 0.013 A 85 ILE HG1y H 1 1.775 0.020 A 85 ILE HG1x H 1 0.876 0.009 A 85 ILE HG2% H 1 1.010 0.015 A 85 ILE C C 13 177.661 0.010 A 85 ILE CA C 13 65.490 0.149 A 85 ILE CB C 13 37.431 0.027 A 85 ILE CD1 C 13 13.281 0.075 A 85 ILE CG1 C 13 29.569 0.202 A 85 ILE CG2 C 13 19.033 0.141 A 85 ILE N N 15 120.925 0.024 A 86 ARG H H 1 8.432 0.017 A 86 ARG HA H 1 4.136 0.006 A 86 ARG HBy H 1 1.884 0.012 A 86 ARG HBx H 1 1.560 0.008 A 86 ARG HD3 H 1 2.990 0.000 A 86 ARG HG3 H 1 2.049 0.003 A 86 ARG C C 13 179.208 0.029 A 86 ARG CA C 13 60.371 0.041 A 86 ARG CB C 13 30.098 0.083 A 86 ARG N N 15 121.916 0.000 A 87 GLU H H 1 8.225 0.009 A 87 GLU HA H 1 4.112 0.012 A 87 GLU HB3 H 1 2.055 0.021 A 87 GLU HG3 H 1 2.351 0.005 A 87 GLU C C 13 178.516 0.007 A 87 GLU CA C 13 59.025 0.000 A 87 GLU CB C 13 29.170 0.000 A 87 GLU N N 15 118.261 0.000 A 88 ALA H H 1 7.789 0.008 A 88 ALA HA H 1 3.827 0.026 A 88 ALA HB% H 1 1.469 0.016 A 88 ALA C C 13 177.947 0.011 A 88 ALA CA C 13 54.861 0.081 A 88 ALA CB C 13 17.955 0.033 A 88 ALA N N 15 121.009 0.000 A 89 PHE H H 1 8.337 0.011 A 89 PHE HBy H 1 3.199 0.014 A 89 PHE HBx H 1 3.036 0.010 A 89 PHE C C 13 176.134 0.026 A 89 PHE CA C 13 62.650 0.140 A 89 PHE CB C 13 38.893 0.000 A 89 PHE N N 15 117.164 0.064 A 90 ARG H H 1 7.681 0.009 A 90 ARG HA H 1 3.914 0.000 A 90 ARG HB3 H 1 1.590 0.024 A 90 ARG HD3 H 1 3.183 0.000 A 90 ARG HG3 H 1 1.909 0.004 A 90 ARG C C 13 178.296 0.015 A 90 ARG CA C 13 59.079 0.066 A 90 ARG CB C 13 30.093 0.100 A 90 ARG N N 15 114.900 0.000 A 91 VAL H H 1 7.405 0.007 A 91 VAL HA H 1 3.607 0.010 A 91 VAL HB H 1 2.017 0.027 A 91 VAL HGx% H 1 0.932 0.011 A 91 VAL HGy% H 1 0.820 0.014 A 91 VAL C C 13 177.964 0.039 A 91 VAL CA C 13 64.960 0.136 A 91 VAL CB C 13 31.619 0.206 A 91 VAL CG2 C 13 22.663 0.141 A 91 VAL N N 15 116.927 0.060 A 92 PHE H H 1 7.886 0.004 A 92 PHE HA H 1 4.362 0.013 A 92 PHE HBy H 1 2.754 0.000 A 92 PHE HBx H 1 2.698 0.010 A 92 PHE HD1 H 1 7.018 0.009 A 92 PHE HD2 H 1 7.018 0.009 A 92 PHE HE1 H 1 7.264 0.009 A 92 PHE HE2 H 1 7.264 0.009 A 92 PHE C C 13 177.639 0.055 A 92 PHE CA C 13 57.721 0.000 A 92 PHE CB C 13 38.427 0.000 A 92 PHE CD1 C 13 130.661 0.096 A 92 PHE CD2 C 13 130.661 0.096 A 92 PHE CE1 C 13 130.686 0.033 A 92 PHE CE2 C 13 130.686 0.033 A 92 PHE N N 15 119.026 0.000 A 93 ASP H H 1 8.009 0.014 A 93 ASP HA H 1 4.462 0.017 A 93 ASP HB3 H 1 1.321 0.014 A 93 ASP C C 13 176.979 0.011 A 93 ASP CA C 13 52.148 0.000 A 93 ASP CB C 13 38.149 0.000 A 93 ASP N N 15 118.238 0.000 A 94 LYS H H 1 7.428 0.008 A 94 LYS C C 13 178.213 0.040 A 94 LYS CA C 13 59.318 0.114 A 94 LYS CB C 13 31.028 0.000 A 94 LYS N N 15 125.792 0.000 A 95 ASP H H 1 8.159 0.017 A 95 ASP C C 13 177.718 0.027 A 95 ASP CA C 13 52.945 0.114 A 95 ASP CB C 13 39.743 0.000 A 95 ASP N N 15 113.833 0.000 A 96 GLY H H 1 7.848 0.015 A 96 GLY C C 13 175.093 0.000 A 96 GLY CA C 13 47.254 0.000 A 96 GLY N N 15 109.414 0.000 A 97 ASN H H 1 8.338 0.007 A 97 ASN HA H 1 4.612 0.011 A 97 ASN HBy H 1 3.406 0.003 A 97 ASN HBx H 1 2.640 0.014 A 97 ASN C C 13 175.937 0.013 A 97 ASN CA C 13 52.888 0.171 A 97 ASN CB C 13 38.320 0.057 A 97 ASN N N 15 119.590 0.000 A 98 GLY H H 1 10.695 0.014 A 98 GLY HAy H 1 4.012 0.010 A 98 GLY HAx H 1 3.408 0.017 A 98 GLY C C 13 172.429 0.013 A 98 GLY CA C 13 45.092 0.000 A 98 GLY N N 15 112.940 0.000 A 99 TYR H H 1 7.597 0.007 A 99 TYR HA H 1 5.087 0.029 A 99 TYR HBx H 1 1.941 0.000 A 99 TYR HBy H 1 1.952 0.000 A 99 TYR HD1 H 1 6.689 0.015 A 99 TYR HD2 H 1 6.689 0.015 A 99 TYR HE1 H 1 6.878 0.008 A 99 TYR HE2 H 1 6.878 0.008 A 99 TYR C C 13 174.859 0.021 A 99 TYR CA C 13 56.018 0.000 A 99 TYR CB C 13 43.353 0.031 A 99 TYR CD1 C 13 133.192 0.020 A 99 TYR CD2 C 13 133.192 0.020 A 99 TYR CE1 C 13 118.159 0.027 A 99 TYR CE2 C 13 118.159 0.027 A 99 TYR N N 15 115.544 0.000 A 100 ILE H H 1 10.267 0.009 A 100 ILE HA H 1 4.789 0.014 A 100 ILE HB H 1 1.949 0.013 A 100 ILE HD1% H 1 0.522 0.014 A 100 ILE HG2% H 1 0.955 0.012 A 100 ILE C C 13 175.387 0.026 A 100 ILE CA C 13 61.006 0.089 A 100 ILE CB C 13 38.790 0.107 A 100 ILE CD1 C 13 15.480 0.099 A 100 ILE CG1 C 13 27.009 0.074 A 100 ILE CG2 C 13 17.907 0.060 A 100 ILE N N 15 127.078 0.000 A 101 SER H H 1 8.985 0.010 A 101 SER HA H 1 4.417 0.007 A 101 SER HBy H 1 4.046 0.025 A 101 SER HBx H 1 3.992 0.019 A 101 SER C C 13 175.360 0.000 A 101 SER CA C 13 56.036 0.132 A 101 SER CB C 13 66.896 0.000 A 101 SER N N 15 124.102 0.000 A 102 ALA H H 1 9.269 0.004 A 102 ALA HA H 1 3.744 0.000 A 102 ALA HB% H 1 0.735 0.000 A 102 ALA C C 13 179.175 0.000 A 102 ALA CA C 13 56.290 0.122 A 102 ALA CB C 13 18.027 0.000 A 102 ALA N N 15 122.780 0.000 A 103 ALA H H 1 8.321 0.002 A 103 ALA HA H 1 4.011 0.000 A 103 ALA HB% H 1 1.390 0.027 A 103 ALA C C 13 181.521 0.028 A 103 ALA CA C 13 55.354 0.076 A 103 ALA CB C 13 18.291 0.182 A 103 ALA N N 15 118.513 0.000 A 104 GLU H H 1 7.867 0.016 A 104 GLU HA H 1 4.006 0.014 A 104 GLU HBy H 1 2.484 0.027 A 104 GLU HBx H 1 2.376 0.000 A 104 GLU C C 13 179.750 0.009 A 104 GLU CA C 13 59.169 0.113 A 104 GLU CB C 13 29.215 0.000 A 104 GLU N N 15 119.550 0.000 A 105 LEU H H 1 8.746 0.010 A 105 LEU HA H 1 3.918 0.016 A 105 LEU HBy H 1 1.769 0.008 A 105 LEU HBx H 1 1.402 0.015 A 105 LEU HDx% H 1 0.486 0.014 A 105 LEU HDy% H 1 0.654 0.023 A 105 LEU C C 13 178.233 0.019 A 105 LEU CA C 13 57.734 0.113 A 105 LEU CB C 13 42.020 0.113 A 105 LEU CDx C 13 23.373 0.131 A 105 LEU CDy C 13 26.077 0.019 A 105 LEU N N 15 122.688 0.000 A 106 ARG H H 1 8.684 0.005 A 106 ARG HA H 1 3.650 0.015 A 106 ARG HB3 H 1 1.577 0.000 A 106 ARG HD3 H 1 3.163 0.011 A 106 ARG HG3 H 1 1.907 0.012 A 106 ARG C C 13 178.742 0.000 A 106 ARG CA C 13 59.963 0.000 A 106 ARG CB C 13 30.046 0.000 A 106 ARG CD C 13 43.649 0.000 A 106 ARG CG C 13 27.903 0.000 A 106 ARG N N 15 118.835 0.000 A 107 HIS H H 1 7.691 0.014 A 107 HIS HA H 1 4.267 0.000 A 107 HIS HBy H 1 3.288 0.000 A 107 HIS HBx H 1 3.174 0.000 A 107 HIS C C 13 177.244 0.009 A 107 HIS CA C 13 60.152 0.038 A 107 HIS CB C 13 30.575 0.076 A 107 HIS N N 15 119.258 0.000 A 108 VAL H H 1 7.599 0.006 A 108 VAL HA H 1 3.438 0.013 A 108 VAL HB H 1 1.780 0.022 A 108 VAL HGx% H 1 0.128 0.017 A 108 VAL HGy% H 1 0.581 0.015 A 108 VAL C C 13 177.998 0.028 A 108 VAL CA C 13 66.431 0.132 A 108 VAL CB C 13 31.424 0.121 A 108 VAL CGx C 13 20.177 0.071 A 108 VAL CGy C 13 22.735 0.112 A 108 VAL N N 15 118.996 0.000 A 109 MET H H 1 7.911 0.011 A 109 MET HE% H 1 1.719 0.004 A 109 MET C C 13 179.119 0.019 A 109 MET CA C 13 56.979 0.038 A 109 MET CB C 13 29.253 0.113 A 109 MET CE C 13 16.098 0.020 A 109 MET N N 15 114.880 0.000 A 110 THR H H 1 8.353 0.015 A 110 THR HA H 1 4.229 0.000 A 110 THR HB H 1 4.000 0.009 A 110 THR HG2% H 1 1.143 0.015 A 110 THR C C 13 178.506 0.009 A 110 THR CA C 13 66.573 0.113 A 110 THR CB C 13 68.575 0.076 A 110 THR CG2 C 13 21.671 0.046 A 110 THR N N 15 116.943 0.000 A 111 ASN H H 1 8.053 0.009 A 111 ASN HA H 1 4.362 0.000 A 111 ASN HBy H 1 2.922 0.005 A 111 ASN HBx H 1 2.754 0.008 A 111 ASN C C 13 177.197 0.019 A 111 ASN CA C 13 55.959 0.000 A 111 ASN CB C 13 37.223 0.000 A 111 ASN N N 15 123.829 0.000 A 112 LEU H H 1 7.794 0.015 A 112 LEU HA H 1 4.170 0.012 A 112 LEU HBy H 1 1.767 0.009 A 112 LEU HBx H 1 1.550 0.018 A 112 LEU HDx% H 1 0.678 0.008 A 112 LEU HDy% H 1 0.631 0.012 A 112 LEU C C 13 176.377 0.028 A 112 LEU CA C 13 55.505 0.000 A 112 LEU CB C 13 42.360 0.000 A 112 LEU CDx C 13 23.283 0.005 A 112 LEU CDy C 13 25.654 0.000 A 112 LEU N N 15 119.036 0.000 A 113 GLY H H 1 7.741 0.005 A 113 GLY HAy H 1 4.169 0.004 A 113 GLY HAx H 1 3.644 0.013 A 113 GLY C C 13 174.248 0.009 A 113 GLY CA C 13 45.307 0.076 A 113 GLY N N 15 106.045 0.000 A 114 GLU H H 1 7.980 0.012 A 114 GLU HA H 1 4.310 0.010 A 114 GLU HB3 H 1 1.563 0.014 A 114 GLU HG3 H 1 1.872 0.000 A 114 GLU C C 13 174.993 0.000 A 114 GLU CA C 13 54.637 0.113 A 114 GLU CB C 13 31.217 0.038 A 114 GLU CG C 13 35.551 0.000 A 114 GLU N N 15 120.556 0.000 A 115 LYS H H 1 8.613 0.007 A 115 LYS HA H 1 4.334 0.000 A 115 LYS HBy H 1 1.691 0.000 A 115 LYS HBx H 1 1.603 0.002 A 115 LYS HE3 H 1 2.898 0.000 A 115 LYS HGy H 1 1.317 0.007 A 115 LYS HGx H 1 1.258 0.014 A 115 LYS C C 13 175.285 0.066 A 115 LYS CA C 13 55.581 0.076 A 115 LYS CB C 13 31.973 0.113 A 115 LYS N N 15 124.986 0.000 A 116 LEU H H 1 8.066 0.005 A 116 LEU HA H 1 4.688 0.005 A 116 LEU HBy H 1 1.569 0.019 A 116 LEU HBx H 1 1.390 0.003 A 116 LEU HDx% H 1 0.637 0.006 A 116 LEU HDy% H 1 0.662 0.008 A 116 LEU C C 13 178.365 0.019 A 116 LEU CA C 13 54.348 0.136 A 116 LEU CB C 13 44.289 0.067 A 116 LEU CDy C 13 27.080 0.091 A 116 LEU CDx C 13 24.443 0.124 A 116 LEU N N 15 125.243 0.000 A 117 THR H H 1 9.228 0.015 A 117 THR HA H 1 4.713 0.011 A 117 THR HB H 1 4.425 0.004 A 117 THR HG2% H 1 1.285 0.022 A 117 THR C C 13 175.539 0.000 A 117 THR CA C 13 60.756 0.189 A 117 THR CB C 13 71.144 0.076 A 117 THR CG2 C 13 21.767 0.063 A 117 THR N N 15 114.324 0.000 A 118 ASP H H 1 8.919 0.011 A 118 ASP HA H 1 4.155 0.008 A 118 ASP N N 15 121.016 0.000 A 119 GLU H H 1 8.919 0.000 A 119 GLU C C 13 179.204 0.013 A 119 GLU CA C 13 58.070 0.004 A 119 GLU CB C 13 29.044 0.000 A 119 GLU CG C 13 36.732 0.169 A 119 GLU N N 15 121.016 0.000 A 120 GLU H H 1 7.732 0.012 A 120 GLU HA H 1 4.001 0.000 A 120 GLU HBx H 1 1.891 0.000 A 120 GLU HBy H 1 1.929 0.000 A 120 GLU HGy H 1 2.347 0.000 A 120 GLU HGx H 1 2.204 0.000 A 120 GLU C C 13 180.329 0.013 A 120 GLU CA C 13 59.091 0.114 A 120 GLU CB C 13 30.638 0.000 A 120 GLU CG C 13 38.138 0.000 A 120 GLU N N 15 120.566 0.000 A 121 VAL H H 1 8.104 0.004 A 121 VAL HA H 1 3.465 0.020 A 121 VAL HB H 1 2.185 0.000 A 121 VAL HGx% H 1 1.004 0.016 A 121 VAL HGy% H 1 0.878 0.023 A 121 VAL C C 13 177.477 0.027 A 121 VAL CA C 13 67.171 0.114 A 121 VAL CB C 13 31.434 0.114 A 121 VAL CGy C 13 23.854 0.000 A 121 VAL CGx C 13 22.617 0.000 A 121 VAL N N 15 121.875 0.000 A 122 ASP H H 1 8.089 0.004 A 122 ASP HA H 1 4.335 0.020 A 122 ASP HBy H 1 2.794 0.000 A 122 ASP HBx H 1 2.672 0.021 A 122 ASP C C 13 179.298 0.000 A 122 ASP CA C 13 57.839 0.000 A 122 ASP CB C 13 40.312 0.000 A 122 ASP N N 15 120.566 0.000 A 123 GLU H H 1 8.105 0.004 A 123 GLU HA H 1 4.049 0.000 A 123 GLU HB3 H 1 2.138 0.000 A 123 GLU HG3 H 1 2.356 0.000 A 123 GLU C C 13 178.749 0.013 A 123 GLU CA C 13 59.318 0.000 A 123 GLU CB C 13 29.386 0.114 A 123 GLU N N 15 119.821 0.000 A 124 MET H H 1 7.726 0.003 A 124 MET HE% H 1 0.633 0.005 A 124 MET C C 13 180.865 0.013 A 124 MET CA C 13 60.684 0.000 A 124 MET CB C 13 33.141 0.000 A 124 MET CE C 13 15.581 0.003 A 124 MET N N 15 119.288 0.107 A 125 ILE HA H 1 3.729 0.025 A 125 ILE HB H 1 2.367 0.014 A 125 ILE HD1% H 1 0.723 0.015 A 125 ILE HG1x H 1 1.465 0.002 A 125 ILE HG1y H 1 1.593 0.009 A 125 ILE HG2% H 1 0.707 0.005 A 125 ILE C C 13 177.341 0.000 A 125 ILE CA C 13 63.801 0.145 A 125 ILE CB C 13 35.565 0.073 A 125 ILE CD1 C 13 10.244 0.042 A 125 ILE CG1 C 13 27.404 0.034 A 125 ILE CG2 C 13 16.190 0.099 A 126 ARG H H 1 8.380 0.005 A 126 ARG C C 13 179.164 0.000 A 126 ARG CA C 13 59.924 0.000 A 126 ARG CB C 13 29.865 0.000 A 126 ARG N N 15 118.555 0.013 A 127 GLU HA H 1 3.925 0.000 A 127 GLU HBy H 1 2.329 0.015 A 127 GLU HBx H 1 2.113 0.019 A 127 GLU HGy H 1 2.583 0.008 A 127 GLU HGx H 1 2.556 0.000 A 127 GLU CA C 13 59.057 0.000 A 127 GLU CB C 13 30.828 0.000 A 127 GLU CG C 13 36.676 0.000 A 128 ALA H H 1 7.152 0.008 A 128 ALA HA H 1 4.417 0.007 A 128 ALA HB% H 1 1.146 0.017 A 128 ALA C C 13 177.885 0.009 A 128 ALA CA C 13 51.955 0.000 A 128 ALA CB C 13 22.567 0.000 A 128 ALA N N 15 116.764 0.000 A 129 ASP H H 1 8.007 0.005 A 129 ASP HA H 1 4.477 0.018 A 129 ASP HB3 H 1 2.560 0.015 A 129 ASP C C 13 175.935 0.000 A 129 ASP CA C 13 54.515 0.008 A 129 ASP CB C 13 40.745 0.127 A 129 ASP N N 15 117.762 0.046 A 130 ILE H H 1 8.412 0.012 A 130 ILE HA H 1 3.864 0.019 A 130 ILE HB H 1 1.920 0.008 A 130 ILE HD1% H 1 0.815 0.017 A 130 ILE HG1x H 1 1.181 0.019 A 130 ILE HG1y H 1 1.618 0.023 A 130 ILE HG2% H 1 0.863 0.006 A 130 ILE C C 13 177.764 0.000 A 130 ILE CA C 13 63.548 0.123 A 130 ILE CB C 13 38.648 0.126 A 130 ILE CD1 C 13 12.630 0.064 A 130 ILE CG1 C 13 27.854 0.162 A 130 ILE CG2 C 13 17.260 0.083 A 130 ILE N N 15 128.249 0.000 A 131 ASP H H 1 8.254 0.010 A 131 ASP HA H 1 4.534 0.000 A 131 ASP HBy H 1 3.020 0.022 A 131 ASP HBx H 1 2.628 0.005 A 131 ASP C C 13 178.313 0.026 A 131 ASP CA C 13 53.884 0.208 A 131 ASP CB C 13 39.962 0.000 A 131 ASP N N 15 116.430 0.000 A 132 GLY H H 1 7.547 0.012 A 132 GLY HAy H 1 3.964 0.010 A 132 GLY HAx H 1 3.793 0.013 A 132 GLY C C 13 175.211 0.007 A 132 GLY CA C 13 47.603 0.032 A 132 GLY N N 15 108.460 0.058 A 133 ASP H H 1 8.339 0.009 A 133 ASP HA H 1 4.463 0.004 A 133 ASP HBy H 1 2.879 0.026 A 133 ASP HBx H 1 2.468 0.012 A 133 ASP C C 13 177.691 0.031 A 133 ASP CA C 13 53.814 0.029 A 133 ASP CB C 13 40.298 0.022 A 133 ASP N N 15 120.909 0.000 A 134 GLY H H 1 10.396 0.006 A 134 GLY HAy H 1 3.998 0.009 A 134 GLY HAx H 1 3.391 0.016 A 134 GLY C C 13 172.722 0.026 A 134 GLY CA C 13 46.037 0.066 A 134 GLY N N 15 112.704 0.000 A 135 GLN H H 1 7.975 0.015 A 135 GLN HA H 1 4.864 0.012 A 135 GLN HB3 H 1 1.701 0.010 A 135 GLN HG3 H 1 1.942 0.004 A 135 GLN C C 13 174.760 0.026 A 135 GLN CA C 13 53.321 0.066 A 135 GLN CB C 13 32.065 0.000 A 135 GLN N N 15 114.799 0.000 A 136 VAL H H 1 9.169 0.012 A 136 VAL HA H 1 5.208 0.028 A 136 VAL HB H 1 2.464 0.022 A 136 VAL HGx% H 1 1.093 0.005 A 136 VAL HGy% H 1 1.274 0.018 A 136 VAL C C 13 175.831 0.052 A 136 VAL CA C 13 61.817 0.168 A 136 VAL CB C 13 33.674 0.086 A 136 VAL CGy C 13 22.456 0.216 A 136 VAL CGx C 13 21.909 0.006 A 136 VAL N N 15 125.364 0.000 A 137 ASN H H 1 9.652 0.009 A 137 ASN HB3 H 1 3.293 0.008 A 137 ASN C C 13 174.737 0.004 A 137 ASN CA C 13 51.351 0.050 A 137 ASN CB C 13 38.323 0.033 A 137 ASN N N 15 129.155 0.000 A 138 TYR H H 1 8.460 0.020 A 138 TYR HA H 1 3.279 0.014 A 138 TYR HBy H 1 2.322 0.017 A 138 TYR HBx H 1 2.027 0.010 A 138 TYR HD1 H 1 6.274 0.006 A 138 TYR HD2 H 1 6.274 0.006 A 138 TYR HE1 H 1 6.480 0.014 A 138 TYR HE2 H 1 6.480 0.014 A 138 TYR C C 13 176.174 0.008 A 138 TYR CA C 13 62.574 0.070 A 138 TYR CB C 13 37.730 0.070 A 138 TYR CD1 C 13 132.139 0.000 A 138 TYR CD2 C 13 132.139 0.000 A 138 TYR CE1 C 13 117.977 0.020 A 138 TYR CE2 C 13 117.977 0.020 A 138 TYR N N 15 118.504 0.002 A 139 GLU H H 1 8.136 0.013 A 139 GLU HA H 1 3.548 0.010 A 139 GLU HB3 H 1 1.996 0.017 A 139 GLU HG3 H 1 2.280 0.000 A 139 GLU C C 13 180.265 0.008 A 139 GLU CA C 13 60.486 0.070 A 139 GLU CB C 13 28.991 0.152 A 139 GLU CG C 13 36.563 0.000 A 139 GLU N N 15 118.644 0.000 A 140 GLU H H 1 8.798 0.014 A 140 GLU HA H 1 3.888 0.015 A 140 GLU HBy H 1 2.376 0.000 A 140 GLU HBx H 1 2.138 0.000 A 140 GLU HGy H 1 2.821 0.021 A 140 GLU HGx H 1 2.452 0.025 A 140 GLU C C 13 179.627 0.033 A 140 GLU CA C 13 58.677 0.000 A 140 GLU CB C 13 29.727 0.000 A 140 GLU CG C 13 37.351 0.000 A 140 GLU N N 15 120.030 0.000 A 141 PHE H H 1 8.633 0.009 A 141 PHE HA H 1 3.697 0.021 A 141 PHE HBy H 1 3.367 0.016 A 141 PHE HBx H 1 3.227 0.015 A 141 PHE HD1 H 1 7.080 0.015 A 141 PHE HD2 H 1 7.080 0.015 A 141 PHE HE1 H 1 7.591 0.018 A 141 PHE HE2 H 1 7.591 0.018 A 141 PHE C C 13 176.952 0.025 A 141 PHE CA C 13 62.052 0.035 A 141 PHE CB C 13 40.131 0.035 A 141 PHE CD1 C 13 131.998 0.155 A 141 PHE CD2 C 13 131.998 0.155 A 141 PHE CE1 C 13 131.945 0.177 A 141 PHE CE2 C 13 131.945 0.177 A 141 PHE N N 15 123.154 0.000 A 142 VAL H H 1 8.894 0.012 A 142 VAL HA H 1 2.956 0.020 A 142 VAL HB H 1 1.747 0.015 A 142 VAL HGx% H 1 0.343 0.016 A 142 VAL HGy% H 1 0.638 0.015 A 142 VAL C C 13 179.627 0.017 A 142 VAL CA C 13 67.243 0.061 A 142 VAL CB C 13 31.140 0.071 A 142 VAL CGy C 13 23.326 0.019 A 142 VAL CGx C 13 21.645 0.136 A 142 VAL N N 15 120.046 0.000 A 143 GLN H H 1 7.627 0.012 A 143 GLN HA H 1 3.776 0.026 A 143 GLN HBy H 1 2.332 0.015 A 143 GLN HBx H 1 1.986 0.000 A 143 GLN C C 13 178.443 0.008 A 143 GLN CA C 13 59.129 0.035 A 143 GLN CB C 13 27.743 0.035 A 143 GLN CG C 13 33.752 0.000 A 143 GLN N N 15 118.996 0.000 A 144 MET H H 1 7.179 0.014 A 144 MET HA H 1 4.169 0.004 A 144 MET HBy H 1 1.686 0.012 A 144 MET HBx H 1 1.467 0.008 A 144 MET HE% H 1 1.855 0.012 A 144 MET HGy H 1 1.109 0.021 A 144 MET HGx H 1 0.675 0.009 A 144 MET C C 13 178.418 0.000 A 144 MET CA C 13 56.137 0.104 A 144 MET CB C 13 31.095 0.033 A 144 MET CE C 13 19.554 0.006 A 144 MET N N 15 116.361 0.098 A 145 MET H H 1 7.776 0.011 A 145 MET HA H 1 4.334 0.000 A 145 MET HE% H 1 2.032 0.001 A 145 MET HG3 H 1 1.520 0.000 A 145 MET C C 13 177.217 0.008 A 145 MET CA C 13 55.296 0.086 A 145 MET CB C 13 34.458 0.002 A 145 MET CE C 13 16.889 0.000 A 145 MET CG C 13 32.852 0.000 A 145 MET N N 15 115.373 0.000 A 146 THR H H 1 7.736 0.008 A 146 THR HA H 1 4.239 0.022 A 146 THR HB H 1 4.412 0.000 A 146 THR HG2% H 1 1.036 0.017 A 146 THR C C 13 175.378 0.041 A 146 THR CA C 13 61.625 0.145 A 146 THR CB C 13 70.817 0.025 A 146 THR CG2 C 13 21.686 0.213 A 146 THR N N 15 107.988 0.142 A 147 GLY H H 1 7.793 0.004 A 147 GLY C C 13 174.046 0.000 A 147 GLY CA C 13 45.544 0.000 A 147 GLY N N 15 110.157 0.000 A 150 THR HA H 1 4.239 0.000 A 150 THR HG2% H 1 1.165 0.013 A 150 THR C C 13 174.397 0.000 A 150 THR CA C 13 61.260 0.106 A 150 THR CB C 13 70.358 0.000 A 150 THR CG2 C 13 22.394 0.078 A 151 ALA H H 1 8.618 0.008 A 151 ALA HA H 1 4.288 0.013 A 151 ALA HB% H 1 1.368 0.018 A 151 ALA C C 13 177.678 0.013 A 151 ALA CA C 13 52.148 0.000 A 151 ALA CB C 13 19.419 0.040 A 151 ALA N N 15 126.304 0.000 A 152 ALA H H 1 8.354 0.009 A 152 ALA HA H 1 4.118 0.003 A 152 ALA HB% H 1 1.349 0.022 A 152 ALA C C 13 178.823 0.007 A 152 ALA CA C 13 53.494 0.020 A 152 ALA CB C 13 18.757 0.242 A 152 ALA N N 15 123.861 0.000 A 153 GLY H H 1 9.028 0.006 A 153 GLY HAx H 1 4.001 0.000 A 153 GLY HAy H 1 4.020 0.000 A 153 GLY C C 13 174.389 0.021 A 153 GLY CA C 13 45.131 0.000 A 153 GLY N N 15 109.984 0.000 A 154 SER H H 1 7.962 0.005 A 154 SER HA H 1 4.255 0.016 A 154 SER HB3 H 1 3.859 0.000 A 154 SER C C 13 177.929 0.000 A 154 SER CA C 13 59.379 0.125 A 154 SER CB C 13 64.090 0.039 A 154 SER N N 15 113.934 0.000 A 155 GLY H H 1 9.451 0.011 A 155 GLY HAy H 1 3.955 0.007 A 155 GLY HAx H 1 3.722 0.013 A 155 GLY C C 13 175.891 0.000 A 155 GLY CA C 13 47.646 0.037 A 155 GLY N N 15 115.337 0.000 A 156 TRP H H 1 8.542 0.013 A 156 TRP HA H 1 4.271 0.019 A 156 TRP HBx H 1 3.084 0.010 A 156 TRP HBy H 1 3.121 0.021 A 156 TRP HD1 H 1 7.719 0.013 A 156 TRP HE1 H 1 10.911 0.011 A 156 TRP HE3 H 1 7.315 0.013 A 156 TRP HH2 H 1 7.003 0.027 A 156 TRP HZ2 H 1 7.056 0.018 A 156 TRP HZ3 H 1 6.952 0.014 A 156 TRP C C 13 178.947 0.011 A 156 TRP CA C 13 60.164 0.083 A 156 TRP CB C 13 29.603 0.000 A 156 TRP CD1 C 13 128.690 0.039 A 156 TRP CE3 C 13 120.843 0.045 A 156 TRP CH2 C 13 122.445 0.040 A 156 TRP CZ2 C 13 113.664 0.037 A 156 TRP CZ3 C 13 120.908 0.019 A 156 TRP N N 15 119.600 0.000 A 156 TRP NE1 N 15 130.476 0.000 A 157 ARG H H 1 7.747 0.012 A 157 ARG HA H 1 3.982 0.000 A 157 ARG HB3 H 1 1.938 0.000 A 157 ARG HD3 H 1 3.203 0.000 A 157 ARG HG3 H 1 1.691 0.000 A 157 ARG C C 13 177.894 0.070 A 157 ARG CA C 13 59.338 0.000 A 157 ARG CB C 13 30.057 0.119 A 157 ARG CD C 13 43.649 0.000 A 157 ARG CG C 13 28.241 0.000 A 157 ARG N N 15 118.583 0.000 A 158 LYS H H 1 7.529 0.005 A 158 LYS HA H 1 3.943 0.012 A 158 LYS HB3 H 1 1.907 0.006 A 158 LYS HD3 H 1 1.387 0.000 A 158 LYS HE3 H 1 2.813 0.000 A 158 LYS HG3 H 1 1.682 0.000 A 158 LYS C C 13 176.973 0.000 A 158 LYS CA C 13 60.374 0.059 A 158 LYS CB C 13 32.291 0.059 A 158 LYS N N 15 117.033 0.000 A 159 ILE H H 1 7.348 0.015 A 159 ILE HA H 1 3.544 0.015 A 159 ILE HB H 1 1.976 0.017 A 159 ILE HD1% H 1 0.389 0.018 A 159 ILE HG1x H 1 0.783 0.016 A 159 ILE HG1y H 1 1.562 0.008 A 159 ILE HG2% H 1 1.139 0.020 A 159 ILE C C 13 176.894 0.000 A 159 ILE CA C 13 65.516 0.181 A 159 ILE CB C 13 37.804 0.119 A 159 ILE CD1 C 13 13.442 0.071 A 159 ILE CG1 C 13 28.991 0.028 A 159 ILE CG2 C 13 18.468 0.134 A 159 ILE N N 15 116.553 0.098 A 160 LYS H H 1 8.225 0.012 A 160 LYS HA H 1 4.039 0.011 A 160 LYS HB3 H 1 1.971 0.006 A 160 LYS HG3 H 1 1.682 0.000 A 160 LYS C C 13 178.566 0.018 A 160 LYS CA C 13 60.374 0.059 A 160 LYS CB C 13 32.818 0.000 A 160 LYS N N 15 119.278 0.000 A 161 LEU H H 1 8.057 0.005 A 161 LEU HA H 1 4.060 0.001 A 161 LEU HB3 H 1 1.995 0.000 A 161 LEU HDx% H 1 1.374 0.004 A 161 LEU HDy% H 1 0.878 0.020 A 161 LEU C C 13 178.977 0.000 A 161 LEU CA C 13 58.024 0.185 A 161 LEU CB C 13 41.982 0.037 A 161 LEU CDy C 13 26.216 0.000 A 161 LEU CDx C 13 23.180 0.000 A 161 LEU CG C 13 27.228 0.000 A 161 LEU N N 15 117.056 0.007 A 162 ALA H H 1 8.170 0.011 A 162 ALA HA H 1 4.092 0.016 A 162 ALA HB% H 1 1.403 0.024 A 162 ALA C C 13 178.374 0.040 A 162 ALA CA C 13 55.790 0.114 A 162 ALA CB C 13 18.325 0.221 A 162 ALA N N 15 121.814 0.000 A 163 VAL H H 1 8.499 0.017 A 163 VAL HA H 1 3.618 0.012 A 163 VAL HB H 1 2.205 0.014 A 163 VAL HGx% H 1 0.836 0.011 A 163 VAL HGy% H 1 1.215 0.010 A 163 VAL C C 13 178.362 0.026 A 163 VAL CA C 13 66.272 0.008 A 163 VAL CB C 13 32.037 0.121 A 163 VAL CGx C 13 21.530 0.164 A 163 VAL CGy C 13 24.190 0.040 A 163 VAL N N 15 115.449 0.000 A 164 ARG H H 1 8.165 0.013 A 164 ARG HA H 1 4.197 0.012 A 164 ARG HB3 H 1 1.942 0.022 A 164 ARG HG3 H 1 1.796 0.000 A 164 ARG C C 13 178.938 0.000 A 164 ARG CA C 13 57.683 0.176 A 164 ARG CB C 13 29.834 0.176 A 164 ARG N N 15 115.775 0.000 A 165 GLY H H 1 8.455 0.010 A 165 GLY HAy H 1 4.001 0.008 A 165 GLY HAx H 1 3.671 0.026 A 165 GLY C C 13 173.134 0.022 A 165 GLY CA C 13 46.742 0.000 A 165 GLY N N 15 105.570 0.000 A 166 ALA H H 1 7.826 0.012 A 166 ALA HA H 1 4.342 0.011 A 166 ALA C C 13 176.155 0.026 A 166 ALA CA C 13 51.773 0.000 A 166 ALA CB C 13 19.478 0.000 A 166 ALA N N 15 120.648 0.156 A 167 GLN H H 1 7.498 0.008 A 167 GLN HA H 1 4.277 0.009 A 167 GLN HBy H 1 2.090 0.000 A 167 GLN HBx H 1 1.948 0.000 A 167 GLN HG3 H 1 2.402 0.021 A 167 GLN C C 13 175.571 0.000 A 167 GLN CA C 13 55.927 0.059 A 167 GLN CB C 13 30.185 0.176 A 167 GLN CG C 13 33.752 0.000 A 167 GLN N N 15 117.315 0.000 A 168 ALA H H 1 8.534 0.004 A 168 ALA HA H 1 4.279 0.017 A 168 ALA HB% H 1 1.340 0.011 A 168 ALA C C 13 177.227 0.014 A 168 ALA CA C 13 52.066 0.059 A 168 ALA CB C 13 19.706 0.183 A 168 ALA N N 15 126.706 0.000 A 169 LYS H H 1 8.344 0.006 A 169 LYS HA H 1 4.201 0.000 A 169 LYS HBx H 1 1.406 0.000 A 169 LYS HBy H 1 1.670 0.017 A 169 LYS HE3 H 1 2.927 0.000 A 169 LYS C C 13 176.392 0.027 A 169 LYS CA C 13 56.395 0.059 A 169 LYS CB C 13 32.935 0.117 A 169 LYS CD C 13 29.140 0.000 A 169 LYS CE C 13 42.299 0.000 A 169 LYS CG C 13 24.529 0.000 A 169 LYS N N 15 120.880 0.014 A 170 ARG H H 1 8.509 0.004 A 170 ARG HG2 H 1 1.853 0.000 A 170 ARG C C 13 175.469 0.007 A 170 ARG CA C 13 56.117 0.000 A 170 ARG CB C 13 30.711 0.000 A 170 ARG N N 15 124.713 0.000 A 171 LYS H H 1 8.079 0.003 A 171 LYS C C 13 181.310 0.000 A 171 LYS CA C 13 57.910 0.000 A 171 LYS CB C 13 33.543 0.000 A 171 LYS N N 15 128.205 0.000 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 156 TRP HE1 A 156 TRP HD1 1.0 . 3.2 2 2 A 156 TRP HE1 A 156 TRP HZ2 1.0 . 3.4 3 3 A 156 TRP HE1 A 127 GLU HBy 1.0 . 4.0 4 3 A 156 TRP HE1 A 127 GLU HBx 1.0 . 4.0 5 4 A 156 TRP HE1 A 127 GLU HBy 1.0 . 3.6 6 4 A 156 TRP HE1 A 127 GLU HBx 1.0 . 3.6 7 5 A 156 TRP HE1 A 127 GLU HBy 1.0 . 3.5 8 5 A 156 TRP HE1 A 127 GLU HBx 1.0 . 3.5 9 6 A 156 TRP HE1 A 152 ALA HB% 1.0 . 4.0 10 7 A 156 TRP HE1 A 144 MET HGy 1.0 . 3.5 11 7 A 156 TRP HE1 A 144 MET HGx 1.0 . 3.5 12 8 A 156 TRP HE1 A 144 MET HGy 1.0 . 3.6 13 8 A 156 TRP HE1 A 144 MET HGx 1.0 . 3.6 14 9 A 16 PHE H A 15 ALA H 1.0 . 3.5 15 10 A 16 PHE H A 16 PHE HBy 1.0 . 3.0 16 10 A 16 PHE H A 16 PHE HBx 1.0 . 3.0 17 11 A 16 PHE H A 16 PHE HBy 1.0 . 3.2 18 11 A 16 PHE H A 16 PHE HBx 1.0 . 3.2 19 12 A 16 PHE H A 16 PHE HA 1.0 . 3.5 20 13 A 16 PHE H A 17 SER H 1.0 . 3.4 21 14 A 17 SER H A 18 LEU H 1.0 . 3.2 22 15 A 12 PHE H A 13 LYS H 1.0 . 3.4 23 16 A 12 PHE H A 11 GLU H 1.0 . 3.1 24 17 A 12 PHE H A 12 PHE HE% 1.0 . 4.1 25 18 A 12 PHE H A 12 PHE HA 1.0 . 3.6 26 19 A 99 TYR H A 98 GLY H 1.0 . 3.1 27 20 A 99 TYR H A 99 TYR HD% 1.0 . 3.5 28 21 A 99 TYR H A 99 TYR HA 1.0 . 3.6 29 22 A 99 TYR H A 98 GLY HAy 1.0 . 3.7 30 22 A 99 TYR H A 98 GLY HAx 1.0 . 3.7 31 23 A 99 TYR H A 98 GLY HAy 1.0 . 3.6 32 23 A 99 TYR H A 98 GLY HAx 1.0 . 3.6 33 24 A 99 TYR H A 99 TYR HBx 1.0 . 4.2 34 24 A 99 TYR H A 99 TYR HBy 1.0 . 4.2 35 25 A 156 TRP H A 156 TRP HA 1.0 . 3.4 36 26 A 156 TRP H A 155 GLY HAy 1.0 . 3.5 37 26 A 156 TRP H A 155 GLY HAx 1.0 . 3.5 38 27 A 156 TRP H A 155 GLY HAy 1.0 . 3.8 39 27 A 156 TRP H A 155 GLY HAx 1.0 . 3.8 40 28 A 155 GLY H A 155 GLY HAy 1.0 . 3.8 41 28 A 155 GLY HAx A 155 GLY H 1.0 . 3.8 42 29 A 155 GLY H A 154 SER HA 1.0 . 3.6 43 30 A 155 GLY H A 155 GLY HAy 1.0 . 3.8 44 30 A 155 GLY HAx A 155 GLY H 1.0 . 3.8 45 31 A 156 TRP H A 156 TRP HBx 1.0 . 3.1 46 31 A 156 TRP H A 156 TRP HBy 1.0 . 3.1 47 32 A 156 TRP H A 155 GLY H 1.0 . 4.1 48 33 A 141 PHE H A 140 GLU H 1.0 . 3.2 49 34 A 141 PHE H A 138 TYR HA 1.0 . 3.1 50 35 A 141 PHE H A 141 PHE HA 1.0 . 3.5 51 36 A 141 PHE H A 140 GLU HBy 1.0 . 4.1 52 36 A 141 PHE H A 140 GLU HBx 1.0 . 4.1 53 37 A 141 PHE H A 141 PHE HBy 1.0 . 3.1 54 37 A 141 PHE H A 141 PHE HBx 1.0 . 3.1 55 38 A 141 PHE H A 140 GLU HBy 1.0 . 3.7 56 38 A 141 PHE H A 140 GLU HBx 1.0 . 3.7 57 39 A 94 LYS H A 95 ASP H 1.0 . 3.5 58 40 A 89 PHE H A 90 ARG H 1.0 . 3.1 59 41 A 89 PHE H A 89 PHE HBy 1.0 . 3.1 60 41 A 89 PHE H A 89 PHE HBx 1.0 . 3.1 61 42 A 90 ARG H A 87 GLU HA 1.0 . 3.6 62 43 A 68 PHE H A 67 GLU H 1.0 . 3.6 63 44 A 68 PHE H A 69 LEU H 1.0 . 3.7 64 45 A 68 PHE H A 68 PHE HA 1.0 . 3.2 65 46 A 68 PHE H A 68 PHE HBx 1.0 . 3.5 66 46 A 68 PHE H A 68 PHE HB3 1.0 . 3.5 67 47 A 68 PHE H A 63 ILE HG1x 1.0 . 4.0 68 47 A 68 PHE H A 63 ILE HG13 1.0 . 4.0 69 48 A 65 PHE H A 64 ASP HA 1.0 . 3.7 70 49 A 64 ASP HA A 64 ASP H 1.0 . 4.0 71 50 A 65 PHE H A 64 ASP HBy 1.0 . 3.6 72 50 A 65 PHE H A 64 ASP HBx 1.0 . 3.6 73 51 A 159 ILE H A 160 LYS H 1.0 . 3.6 74 52 A 156 TRP HA A 159 ILE H 1.0 . 4.1 75 53 A 159 ILE H A 158 LYS HA 1.0 . 3.8 76 54 A 159 ILE H A 159 ILE HA 1.0 . 3.7 77 55 A 159 ILE H A 159 ILE HB 1.0 . 3.0 78 56 A 52 ILE H A 51 MET HA 1.0 . 3.6 79 57 A 52 ILE H A 52 ILE HA 1.0 . 3.6 80 58 A 52 ILE H A 52 ILE HB 1.0 . 3.0 81 59 A 52 ILE H A 29 THR HG2% 1.0 . 4.2 82 60 A 26 THR H A 24 ASP H 1.0 . 3.5 83 61 A 27 ILE H A 26 THR HA 1.0 . 3.1 84 62 A 26 THR H A 26 THR HA 1.0 . 3.4 85 63 A 27 ILE H A 27 ILE HA 1.0 . 4.0 86 64 A 27 ILE HA A 28 THR H 1.0 . 3.2 87 65 A 28 THR H A 28 THR HA 1.0 . 3.6 88 66 A 28 THR HA A 29 THR H 1.0 . 2.9 89 67 A 26 THR H A 25 GLY HAy 1.0 . 3.5 90 67 A 26 THR H A 25 GLY HAx 1.0 . 3.5 91 68 A 27 ILE H A 62 THR HB 1.0 . 4.1 92 69 A 27 ILE H A 26 THR HB 1.0 . 3.7 93 70 A 27 ILE H A 27 ILE HB 1.0 . 3.6 94 71 A 27 ILE H A 27 ILE HD1% 1.0 . 3.6 95 72 A 28 THR H A 27 ILE HG2% 1.0 . 3.5 96 73 A 33 GLY H A 35 VAL H 1.0 . 4.6 97 74 A 33 GLY H A 33 GLY HAy 1.0 . 3.6 98 74 A 33 GLY H A 33 GLY HAx 1.0 . 3.6 99 75 A 33 GLY H A 32 LEU HBy 1.0 . 3.4 100 75 A 33 GLY H A 32 LEU HBx 1.0 . 3.4 101 76 A 33 GLY H A 32 LEU HBy 1.0 . 3.6 102 76 A 33 GLY H A 32 LEU HBx 1.0 . 3.6 103 77 A 33 GLY H A 48 LEU HDy% 1.0 . 3.0 104 78 A 35 VAL H A 35 VAL HG1% 1.0 . 3.7 105 79 A 35 VAL H A 35 VAL HG21 1.0 . 3.1 106 80 A 35 VAL H A 35 VAL HB 1.0 . 3.2 107 81 A 35 VAL H A 35 VAL HA 1.0 . 3.6 108 82 A 35 VAL H A 34 THR HA 1.0 . 3.8 109 83 A 35 VAL H A 36 MET H 1.0 . 3.5 110 84 A 35 VAL H A 34 THR H 1.0 . 3.6 111 85 A 33 GLY H A 34 THR H 1.0 . 3.2 112 86 A 34 THR HA A 34 THR H 1.0 . 3.0 113 87 A 34 THR H A 34 THR HB 1.0 . 3.1 114 88 A 35 VAL H A 34 THR H 1.0 . 3.4 115 89 A 15 ALA H A 14 GLU H 1.0 . 3.2 116 90 A 16 PHE H A 15 ALA H 1.0 . 3.6 117 91 A 15 ALA H A 12 PHE HA 1.0 . 4.0 118 92 A 15 ALA H A 15 ALA HA 1.0 . 3.1 119 93 A 15 ALA H A 15 ALA HB% 1.0 . 2.9 120 94 A 16 PHE H A 15 ALA HB% 1.0 . 3.1 121 95 A 100 ILE H A 100 ILE HG2% 1.0 . 3.7 122 96 A 100 ILE H A 136 VAL HGx% 1.0 . 3.5 123 97 A 100 ILE H A 100 ILE HB 1.0 . 3.4 124 98 A 100 ILE H A 100 ILE HA 1.0 . 3.8 125 99 A 99 TYR HA A 100 ILE H 1.0 . 3.2 126 100 A 99 TYR HD% A 100 ILE H 1.0 . 4.2 127 101 A 99 TYR H A 100 ILE H 1.0 . 4.8 128 102 A 100 ILE HA A 101 SER H 1.0 . 3.1 129 103 A 101 SER H A 105 LEU H 1.0 . 4.4 130 104 A 101 SER H A 104 GLU H 1.0 . 4.2 131 105 A 101 SER H A 101 SER HA 1.0 . 4.1 132 106 A 101 SER H A 101 SER HBy 1.0 . 3.7 133 106 A 101 SER H A 101 SER HBx 1.0 . 3.7 134 107 A 100 ILE HB A 101 SER H 1.0 . 4.3 135 108 A 100 ILE HG2% A 101 SER H 1.0 . 3.5 136 109 A 90 ARG H A 91 VAL H 1.0 . 3.4 137 110 A 10 ALA H A 10 ALA HA 1.0 . 2.9 138 111 A 10 ALA H A 10 ALA HB% 1.0 . 2.6 139 112 A 12 PHE H A 11 GLU H 1.0 . 3.1 140 113 A 11 GLU H A 10 ALA H 1.0 . 3.0 141 114 A 11 GLU H A 11 GLU HA 1.0 . 2.9 142 115 A 12 PHE H A 161 LEU HDy% 1.0 . 4.2 143 116 A 12 PHE H A 11 GLU HA 1.0 . 3.5 144 117 A 12 PHE H A 13 LYS H 1.0 . 3.2 145 118 A 13 LYS H A 14 GLU H 1.0 . 3.2 146 119 A 166 ALA H A 166 ALA HA 1.0 . 3.4 147 120 A 14 GLU H A 14 GLU HA 1.0 . 3.0 148 121 A 14 GLU H A 13 LYS HGx 1.0 . 4.0 149 121 A 14 GLU H A 13 LYS HG3 1.0 . 4.0 150 122 A 13 LYS H A 13 LYS HA 1.0 . 3.1 151 123 A 13 LYS H A 13 LYS HBx 1.0 . 2.8 152 123 A 13 LYS H A 13 LYS HB3 1.0 . 2.8 153 124 A 13 LYS H A 13 LYS HDx 1.0 . 3.8 154 124 A 13 LYS H A 13 LYS HD3 1.0 . 3.8 155 125 A 17 SER H A 17 SER HA 1.0 . 2.6 156 126 A 17 SER H A 18 LEU H 1.0 . 3.2 157 127 A 18 LEU H A 18 LEU HA 1.0 . 2.9 158 128 A 19 PHE H A 18 LEU HBy 1.0 . 3.7 159 128 A 19 PHE H A 18 LEU HBx 1.0 . 3.7 160 129 A 132 GLY H A 131 ASP H 1.0 . 3.0 161 130 A 23 GLY H A 22 ASP HBy 1.0 . 3.5 162 130 A 23 GLY H A 22 ASP HBx 1.0 . 3.5 163 131 A 23 GLY H A 23 GLY HA2 1.0 . 2.6 164 131 A 23 GLY H A 23 GLY HAy 1.0 . 2.6 165 132 A 24 ASP H A 25 GLY H 1.0 . 3.0 166 133 A 26 THR H A 24 ASP H 1.0 . 3.6 167 134 A 24 ASP H A 24 ASP HA 1.0 . 3.2 168 135 A 24 ASP H A 23 GLY HA2 1.0 . 3.1 169 135 A 24 ASP H A 23 GLY HAy 1.0 . 3.1 170 136 A 24 ASP H A 24 ASP HBy 1.0 . 3.2 171 136 A 24 ASP H A 24 ASP HBx 1.0 . 3.2 172 137 A 24 ASP H A 24 ASP HBy 1.0 . 3.4 173 137 A 24 ASP H A 24 ASP HBx 1.0 . 3.4 174 138 A 25 GLY H A 25 GLY HAy 1.0 . 3.1 175 138 A 25 GLY HAx A 25 GLY H 1.0 . 3.1 176 139 A 61 GLY H A 62 THR H 1.0 . 4.2 177 140 A 26 THR H A 25 GLY H 1.0 . 3.0 178 141 A 24 ASP H A 25 GLY H 1.0 . 3.2 179 142 A 25 GLY H A 25 GLY HAy 1.0 . 3.1 180 142 A 25 GLY HAx A 25 GLY H 1.0 . 3.1 181 143 A 25 GLY H A 24 ASP HBy 1.0 . 4.3 182 143 A 25 GLY H A 24 ASP HBx 1.0 . 4.3 183 144 A 25 GLY H A 26 THR HG2% 1.0 . 4.2 184 145 A 26 THR H A 26 THR HG2% 1.0 . 3.0 185 146 A 27 ILE H A 26 THR HG2% 1.0 . 3.5 186 147 A 28 THR H A 27 ILE HB 1.0 . 4.2 187 148 A 28 THR H A 31 GLU HBx 1.0 . 3.6 188 148 A 28 THR H A 31 GLU HB3 1.0 . 3.6 189 149 A 28 THR H A 31 GLU HBx 1.0 . 3.8 190 149 A 28 THR H A 31 GLU HB3 1.0 . 3.8 191 150 A 29 THR H A 29 THR HA 1.0 . 4.0 192 151 A 29 THR H A 29 THR HB 1.0 . 3.6 193 152 A 29 THR H A 52 ILE HD1% 1.0 . 3.6 194 153 A 31 GLU H A 32 LEU H 1.0 . 3.6 195 154 A 28 THR H A 31 GLU H 1.0 . 4.2 196 155 A 31 GLU H A 31 GLU HA 1.0 . 3.6 197 156 A 31 GLU H A 31 GLU HBx 1.0 . 3.6 198 156 A 31 GLU HB3 A 31 GLU H 1.0 . 3.6 199 157 A 31 GLU H A 31 GLU HBx 1.0 . 3.2 200 157 A 31 GLU HB3 A 31 GLU H 1.0 . 3.2 201 158 A 31 GLU H A 30 LYS HGx 1.0 . 4.3 202 158 A 31 GLU H A 30 LYS HG3 1.0 . 4.3 203 159 A 31 GLU H A 28 THR HG2% 1.0 . 4.0 204 160 A 27 ILE HG2% A 31 GLU H 1.0 . 4.1 205 161 A 31 GLU H A 30 LYS HBx 1.0 . 3.4 206 161 A 31 GLU H A 30 LYS HB3 1.0 . 3.4 207 162 A 31 GLU H A 32 LEU H 1.0 . 3.6 208 163 A 32 LEU H A 32 LEU HA 1.0 . 3.4 209 164 A 32 LEU H A 31 GLU HBx 1.0 . 3.8 210 164 A 31 GLU HB3 A 32 LEU H 1.0 . 3.8 211 165 A 32 LEU H A 31 GLU HBx 1.0 . 3.6 212 165 A 31 GLU HB3 A 32 LEU H 1.0 . 3.6 213 166 A 32 LEU H A 32 LEU HBy 1.0 . 3.1 214 166 A 32 LEU HBx A 32 LEU H 1.0 . 3.1 215 167 A 27 ILE HG2% A 32 LEU H 1.0 . 3.0 216 168 A 129 ASP H A 128 ALA H 1.0 . 2.8 217 169 A 35 VAL HG1% A 36 MET H 1.0 . 3.8 218 170 A 35 VAL HG21 A 36 MET H 1.0 . 3.8 219 171 A 35 VAL HA A 36 MET H 1.0 . 4.1 220 172 A 35 VAL H A 36 MET H 1.0 . 3.5 221 173 A 39 LEU H A 39 LEU HBy 1.0 . 2.9 222 173 A 39 LEU H A 39 LEU HBx 1.0 . 2.9 223 174 A 39 LEU H A 39 LEU HBy 1.0 . 3.1 224 174 A 39 LEU H A 39 LEU HBx 1.0 . 3.1 225 175 A 39 LEU H A 38 SER HBx 1.0 . 3.6 226 175 A 39 LEU H A 38 SER HB3 1.0 . 3.6 227 176 A 39 LEU H A 38 SER HA 1.0 . 3.7 228 177 A 39 LEU H A 39 LEU HA 1.0 . 3.4 229 178 A 39 LEU H A 40 GLY H 1.0 . 3.2 230 179 A 39 LEU H A 41 GLN H 1.0 . 3.1 231 180 A 39 LEU H A 40 GLY H 1.0 . 3.2 232 181 A 40 GLY H A 41 GLN H 1.0 . 3.1 233 182 A 39 LEU HA A 40 GLY H 1.0 . 3.5 234 183 A 40 GLY H A 40 GLY HAy 1.0 . 3.1 235 183 A 40 GLY H A 40 GLY HAx 1.0 . 3.1 236 184 A 40 GLY H A 40 GLY HAy 1.0 . 3.0 237 184 A 40 GLY H A 40 GLY HAx 1.0 . 3.0 238 185 A 40 GLY H A 39 LEU HBy 1.0 . 3.7 239 185 A 39 LEU HBx A 40 GLY H 1.0 . 3.7 240 186 A 40 GLY H A 39 LEU HBy 1.0 . 3.8 241 186 A 39 LEU HBx A 40 GLY H 1.0 . 3.8 242 187 A 41 GLN H A 40 GLY HAy 1.0 . 3.6 243 187 A 41 GLN H A 40 GLY HAx 1.0 . 3.6 244 188 A 39 LEU H A 41 GLN H 1.0 . 3.8 245 189 A 40 GLY H A 41 GLN H 1.0 . 3.2 246 190 A 45 GLU H A 44 THR HA 1.0 . 3.2 247 191 A 44 THR H A 43 PRO HA 1.0 . 2.9 248 192 A 44 THR H A 44 THR HB 1.0 . 3.7 249 193 A 45 GLU H A 45 GLU HA 1.0 . 3.7 250 194 A 44 THR H A 44 THR HG2% 1.0 . 3.0 251 195 A 48 LEU HDy% A 44 THR H 1.0 . 4.4 252 196 A 45 GLU H A 44 THR HG2% 1.0 . 3.5 253 197 A 45 GLU H A 45 GLU HBx 1.0 . 3.1 254 197 A 45 GLU H A 45 GLU HB3 1.0 . 3.1 255 198 A 45 GLU H A 45 GLU HBx 1.0 . 3.5 256 198 A 45 GLU H A 45 GLU HB3 1.0 . 3.5 257 199 A 46 ALA H A 45 GLU HBx 1.0 . 3.2 258 199 A 45 GLU HB3 A 46 ALA H 1.0 . 3.2 259 200 A 46 ALA H A 46 ALA HB% 1.0 . 2.8 260 201 A 74 ARG H A 73 ALA H 1.0 . 3.5 261 202 A 74 ARG H A 75 LYS H 1.0 . 3.5 262 203 A 74 ARG H A 74 ARG HA 1.0 . 3.2 263 204 A 48 LEU HDy% A 48 LEU H 1.0 . 3.0 264 205 A 50 ASP H A 51 MET H 1.0 . 3.0 265 206 A 50 ASP H A 50 ASP HA 1.0 . 3.1 266 207 A 50 ASP H A 49 GLN HA 1.0 . 3.7 267 208 A 50 ASP H A 50 ASP HBy 1.0 . 2.8 268 208 A 50 ASP H A 50 ASP HBx 1.0 . 2.8 269 209 A 52 ILE H A 51 MET H 1.0 . 3.5 270 210 A 53 ASN H A 53 ASN HA 1.0 . 3.0 271 211 A 52 ILE HA A 53 ASN H 1.0 . 3.8 272 212 A 53 ASN H A 54 GLU H 1.0 . 3.4 273 213 A 54 GLU H A 55 VAL H 1.0 . 3.4 274 214 A 54 GLU H A 54 GLU HA 1.0 . 3.0 275 215 A 54 GLU H A 54 GLU HBy 1.0 . 2.9 276 215 A 54 GLU H A 54 GLU HBx 1.0 . 2.9 277 216 A 55 VAL H A 55 VAL HGy% 1.0 . 2.9 278 217 A 55 VAL H A 55 VAL HA 1.0 . 3.4 279 218 A 56 ASP H A 57 ALA H 1.0 . 4.3 280 219 A 56 ASP H A 56 ASP HA 1.0 . 3.4 281 220 A 54 GLU H A 54 GLU HBy 1.0 . 3.2 282 220 A 54 GLU H A 54 GLU HBx 1.0 . 3.2 283 221 A 57 ALA H A 57 ALA HA 1.0 . 3.2 284 222 A 56 ASP H A 56 ASP HBy 1.0 . 3.0 285 222 A 56 ASP H A 56 ASP HBx 1.0 . 3.0 286 223 A 57 ALA H A 57 ALA HB% 1.0 . 2.9 287 224 A 57 ALA H A 58 ASP H 1.0 . 3.1 288 225 A 58 ASP H A 58 ASP HA 1.0 . 3.2 289 226 A 57 ALA HA A 58 ASP H 1.0 . 3.6 290 227 A 58 ASP H A 58 ASP HBy 1.0 . 3.5 291 227 A 58 ASP H A 58 ASP HBx 1.0 . 3.5 292 228 A 57 ALA HB% A 58 ASP H 1.0 . 3.0 293 229 A 58 ASP HA A 59 GLY H 1.0 . 3.5 294 230 A 62 THR H A 62 THR HG2% 1.0 . 3.4 295 231 A 61 GLY H A 60 ASN HA 1.0 . 3.7 296 232 A 61 GLY H A 61 GLY HAy 1.0 . 3.0 297 232 A 61 GLY H A 61 GLY HAx 1.0 . 3.0 298 233 A 61 GLY H A 56 ASP HBy 1.0 . 4.1 299 233 A 61 GLY H A 56 ASP HBx 1.0 . 4.1 300 234 A 61 GLY H A 62 THR H 1.0 . 3.0 301 235 A 62 THR H A 62 THR HG2% 1.0 . 3.1 302 236 A 62 THR H A 61 GLY HAy 1.0 . 3.4 303 236 A 62 THR H A 61 GLY HAx 1.0 . 3.4 304 237 A 62 THR H A 60 ASN HBy 1.0 . 4.1 305 237 A 62 THR H A 60 ASN HBx 1.0 . 4.1 306 238 A 62 THR H A 62 THR HA 1.0 . 3.2 307 239 A 64 ASP H A 63 ILE HA 1.0 . 3.1 308 240 A 68 PHE H A 67 GLU H 1.0 . 3.5 309 241 A 27 ILE H A 63 ILE H 1.0 . 3.8 310 242 A 69 LEU H A 70 THR H 1.0 . 3.7 311 243 A 69 LEU H A 69 LEU HDx% 1.0 . 3.6 312 244 A 69 LEU H A 70 THR H 1.0 . 3.6 313 245 A 70 THR H A 71 MET H 1.0 . 3.5 314 246 A 70 THR H A 70 THR HA 1.0 . 3.2 315 247 A 70 THR H A 70 THR HB 1.0 . 3.5 316 248 A 70 THR H A 69 LEU HBx 1.0 . 3.7 317 248 A 70 THR H A 69 LEU HB3 1.0 . 3.7 318 249 A 70 THR H A 71 MET H 1.0 . 3.5 319 250 A 71 MET H A 72 MET H 1.0 . 3.5 320 251 A 71 MET H A 72 MET H 1.0 . 3.6 321 252 A 15 ALA H A 14 GLU H 1.0 . 3.6 322 253 A 74 ARG H A 73 ALA H 1.0 . 3.7 323 254 A 72 MET H A 72 MET HA 1.0 . 3.5 324 255 A 72 MET H A 71 MET HA 1.0 . 4.1 325 256 A 72 MET H A 72 MET HBx 1.0 . 3.1 326 256 A 72 MET H A 72 MET HB3 1.0 . 3.1 327 257 A 71 MET H A 70 THR HG2% 1.0 . 3.5 328 258 A 71 MET H A 71 MET HBy 1.0 . 3.2 329 258 A 71 MET H A 71 MET HBx 1.0 . 3.2 330 259 A 71 MET H A 71 MET HBy 1.0 . 3.6 331 259 A 71 MET H A 71 MET HBx 1.0 . 3.6 332 260 A 71 MET H A 71 MET HA 1.0 . 3.4 333 261 A 71 MET H A 70 THR HA 1.0 . 3.6 334 262 A 73 ALA H A 73 ALA HA 1.0 . 3.2 335 263 A 15 ALA H A 15 ALA HB% 1.0 . 3.1 336 264 A 73 ALA H A 73 ALA HB% 1.0 . 2.9 337 265 A 86 ARG H A 85 ILE H 1.0 . 3.4 338 266 A 86 ARG H A 87 GLU H 1.0 . 3.5 339 267 A 86 ARG H A 86 ARG HGx 1.0 . 2.9 340 267 A 86 ARG H A 86 ARG HG3 1.0 . 2.9 341 268 A 86 ARG H A 86 ARG HBy 1.0 . 3.2 342 268 A 86 ARG H A 86 ARG HBx 1.0 . 3.2 343 269 A 86 ARG H A 86 ARG HBy 1.0 . 3.6 344 269 A 86 ARG H A 86 ARG HBx 1.0 . 3.6 345 270 A 86 ARG H A 85 ILE HD1% 1.0 . 4.3 346 271 A 85 ILE H A 85 ILE HG1y 1.0 . 3.4 347 271 A 85 ILE H A 85 ILE HG1x 1.0 . 3.4 348 272 A 85 ILE H A 85 ILE HA 1.0 . 3.4 349 273 A 86 ARG H A 85 ILE HA 1.0 . 4.1 350 274 A 87 GLU H A 88 ALA H 1.0 . 3.4 351 275 A 87 GLU HA A 87 GLU H 1.0 . 3.1 352 276 A 87 GLU H A 87 GLU HBx 1.0 . 3.0 353 276 A 87 GLU H A 87 GLU HB3 1.0 . 3.0 354 277 A 87 GLU H A 87 GLU HBx 1.0 . 2.8 355 277 A 87 GLU H A 87 GLU HB3 1.0 . 2.8 356 278 A 88 ALA H A 88 ALA HA 1.0 . 3.2 357 279 A 85 ILE H A 85 ILE HG1y 1.0 . 3.6 358 279 A 85 ILE H A 85 ILE HG1x 1.0 . 3.6 359 280 A 87 GLU H A 88 ALA H 1.0 . 3.0 360 281 A 86 ARG H A 87 GLU H 1.0 . 3.4 361 282 A 89 PHE H A 90 ARG H 1.0 . 3.6 362 283 A 90 ARG H A 92 PHE H 1.0 . 4.0 363 284 A 90 ARG H A 91 VAL H 1.0 . 3.4 364 285 A 90 ARG H A 89 PHE HBy 1.0 . 3.5 365 285 A 90 ARG H A 89 PHE HBx 1.0 . 3.5 366 286 A 90 ARG H A 89 PHE HBy 1.0 . 3.5 367 286 A 90 ARG H A 89 PHE HBx 1.0 . 3.5 368 287 A 90 ARG H A 90 ARG HGx 1.0 . 2.9 369 287 A 90 ARG H A 90 ARG HG3 1.0 . 2.9 370 288 A 90 ARG H A 90 ARG HBx 1.0 . 3.6 371 288 A 90 ARG H A 90 ARG HB3 1.0 . 3.6 372 289 A 90 ARG H A 91 VAL HGy% 1.0 . 4.3 373 290 A 91 VAL H A 88 ALA HA 1.0 . 3.5 374 291 A 91 VAL H A 91 VAL HA 1.0 . 3.4 375 292 A 91 VAL H A 91 VAL HGy% 1.0 . 2.9 376 293 A 92 PHE H A 100 ILE HD1% 1.0 . 3.7 377 294 A 93 ASP H A 93 ASP HA 1.0 . 3.5 378 295 A 93 ASP H A 92 PHE HBy 1.0 . 3.5 379 295 A 93 ASP H A 92 PHE HBx 1.0 . 3.5 380 296 A 93 ASP H A 93 ASP HBx 1.0 . 3.4 381 296 A 93 ASP H A 93 ASP HB3 1.0 . 3.4 382 297 A 94 LYS H A 93 ASP HA 1.0 . 3.0 383 298 A 94 LYS H A 104 GLU HBy 1.0 . 3.7 384 298 A 94 LYS H A 104 GLU HBx 1.0 . 3.7 385 299 A 95 ASP H A 96 GLY H 1.0 . 3.1 386 300 A 94 LYS H A 95 ASP H 1.0 . 3.2 387 301 A 95 ASP H A 96 GLY H 1.0 . 3.0 388 302 A 97 ASN H A 97 ASN HA 1.0 . 3.4 389 303 A 98 GLY H A 97 ASN H 1.0 . 3.1 390 304 A 97 ASN H A 97 ASN HBy 1.0 . 3.2 391 304 A 97 ASN H A 97 ASN HBx 1.0 . 3.2 392 305 A 97 ASN H A 97 ASN HBy 1.0 . 3.2 393 305 A 97 ASN H A 97 ASN HBx 1.0 . 3.2 394 306 A 98 GLY H A 97 ASN H 1.0 . 3.2 395 307 A 98 GLY H A 96 GLY H 1.0 . 4.3 396 308 A 99 TYR H A 98 GLY H 1.0 . 3.1 397 309 A 98 GLY H A 97 ASN HA 1.0 . 4.1 398 310 A 98 GLY H A 98 GLY HAy 1.0 . 3.1 399 310 A 98 GLY H A 98 GLY HAx 1.0 . 3.1 400 311 A 98 GLY H A 97 ASN HBy 1.0 . 4.6 401 311 A 98 GLY H A 97 ASN HBx 1.0 . 4.6 402 312 A 101 SER HA A 102 ALA H 1.0 . 3.4 403 313 A 102 ALA H A 102 ALA HB% 1.0 . 3.5 404 314 A 101 SER H A 104 GLU H 1.0 . 3.8 405 315 A 104 GLU H A 104 GLU HA 1.0 . 3.1 406 316 A 104 GLU H A 104 GLU HBy 1.0 . 3.0 407 316 A 104 GLU H A 104 GLU HBx 1.0 . 3.0 408 317 A 104 GLU H A 103 ALA HB% 1.0 . 3.1 409 318 A 101 SER H A 105 LEU H 1.0 . 4.2 410 319 A 105 LEU H A 104 GLU H 1.0 . 3.5 411 320 A 105 LEU H A 105 LEU HA 1.0 . 3.1 412 321 A 105 LEU H A 104 GLU HBy 1.0 . 3.6 413 321 A 105 LEU H A 104 GLU HBx 1.0 . 3.6 414 322 A 105 LEU H A 105 LEU HBy 1.0 . 3.0 415 322 A 105 LEU H A 105 LEU HBx 1.0 . 3.0 416 323 A 100 ILE HG2% A 105 LEU H 1.0 . 3.2 417 324 A 106 ARG H A 107 HIS H 1.0 . 3.4 418 325 A 106 ARG H A 106 ARG HGx 1.0 . 2.8 419 325 A 106 ARG H A 106 ARG HG3 1.0 . 2.8 420 326 A 106 ARG H A 106 ARG HA 1.0 . 3.2 421 327 A 143 GLN H A 144 MET H 1.0 . 3.5 422 328 A 109 MET H A 108 VAL H 1.0 . 3.5 423 329 A 106 ARG HA A 109 MET H 1.0 . 4.0 424 330 A 109 MET H A 108 VAL HA 1.0 . 4.2 425 331 A 109 MET H A 108 VAL HGx% 1.0 . 3.7 426 332 A 111 ASN H A 111 ASN HBy 1.0 . 3.2 427 332 A 111 ASN H A 111 ASN HBx 1.0 . 3.2 428 333 A 111 ASN H A 111 ASN HBy 1.0 . 3.1 429 333 A 111 ASN H A 111 ASN HBx 1.0 . 3.1 430 334 A 108 VAL HA A 111 ASN H 1.0 . 4.0 431 335 A 111 ASN H A 110 THR HB 1.0 . 3.8 432 336 A 111 ASN H A 112 LEU H 1.0 . 3.2 433 337 A 111 ASN H A 110 THR H 1.0 . 3.2 434 338 A 113 GLY H A 114 GLU H 1.0 . 2.9 435 339 A 113 GLY H A 113 GLY HAy 1.0 . 3.0 436 339 A 113 GLY H A 113 GLY HAx 1.0 . 3.0 437 340 A 113 GLY H A 112 LEU HBy 1.0 . 3.5 438 340 A 113 GLY H A 112 LEU HBx 1.0 . 3.5 439 341 A 113 GLY H A 112 LEU HBy 1.0 . 3.7 440 341 A 113 GLY H A 112 LEU HBx 1.0 . 3.7 441 342 A 113 GLY H A 113 GLY HAy 1.0 . 2.9 442 342 A 113 GLY H A 113 GLY HAx 1.0 . 2.9 443 343 A 114 GLU H A 114 GLU HA 1.0 . 3.2 444 344 A 114 GLU H A 113 GLY HAy 1.0 . 3.5 445 344 A 114 GLU H A 113 GLY HAx 1.0 . 3.5 446 345 A 114 GLU H A 114 GLU HBx 1.0 . 3.0 447 345 A 114 GLU H A 114 GLU HB3 1.0 . 3.0 448 346 A 114 GLU HA A 115 LYS H 1.0 . 3.4 449 347 A 115 LYS H A 115 LYS HBy 1.0 . 3.5 450 347 A 115 LYS H A 115 LYS HBx 1.0 . 3.5 451 348 A 115 LYS H A 115 LYS HGy 1.0 . 4.3 452 348 A 115 LYS H A 115 LYS HGx 1.0 . 4.3 453 349 A 116 LEU H A 116 LEU HA 1.0 . 3.4 454 350 A 116 LEU H A 115 LYS HGy 1.0 . 3.0 455 350 A 115 LYS HGx A 116 LEU H 1.0 . 3.0 456 351 A 117 THR H A 116 LEU HBy 1.0 . 3.2 457 351 A 117 THR H A 116 LEU HBx 1.0 . 3.2 458 352 A 116 LEU HA A 117 THR H 1.0 . 2.9 459 353 A 117 THR H A 120 GLU H 1.0 . 4.0 460 354 A 118 ASP H A 117 THR HA 1.0 . 3.6 461 355 A 118 ASP H A 118 ASP HA 1.0 . 4.2 462 356 A 118 ASP H A 117 THR HG2% 1.0 . 4.1 463 357 A 120 GLU H A 119 GLU H 1.0 . 3.5 464 358 A 118 ASP H A 119 GLU H 1.0 . 4.2 465 359 A 117 THR H A 120 GLU H 1.0 . 3.7 466 360 A 121 VAL H A 121 VAL HA 1.0 . 3.4 467 361 A 121 VAL H A 116 LEU HBy 1.0 . 3.6 468 361 A 116 LEU HBx A 121 VAL H 1.0 . 3.6 469 362 A 121 VAL H A 116 LEU HBy 1.0 . 3.6 470 362 A 116 LEU HBx A 121 VAL H 1.0 . 3.6 471 363 A 117 THR H A 121 VAL H 1.0 . 4.3 472 364 A 122 ASP H A 122 ASP HA 1.0 . 3.0 473 365 A 122 ASP H A 122 ASP HBy 1.0 . 2.9 474 365 A 122 ASP H A 122 ASP HBx 1.0 . 2.9 475 366 A 122 ASP HA A 123 GLU H 1.0 . 3.5 476 367 A 126 ARG H A 125 ILE HA 1.0 . 4.0 477 368 A 156 TRP HE1 A 128 ALA H 1.0 . 3.7 478 369 A 129 ASP H A 128 ALA H 1.0 . 2.8 479 370 A 128 ALA H A 128 ALA HA 1.0 . 3.1 480 371 A 144 MET H A 144 MET HBy 1.0 . 4.0 481 371 A 144 MET H A 144 MET HBx 1.0 . 4.0 482 372 A 130 ILE H A 130 ILE HA 1.0 . 3.4 483 373 A 130 ILE H A 140 GLU HBy 1.0 . 3.7 484 373 A 140 GLU HBx A 130 ILE H 1.0 . 3.7 485 374 A 130 ILE H A 140 GLU HBy 1.0 . 3.7 486 374 A 140 GLU HBx A 130 ILE H 1.0 . 3.7 487 375 A 130 ILE H A 140 GLU HBy 1.0 . 3.6 488 375 A 140 GLU HBx A 130 ILE H 1.0 . 3.6 489 376 A 130 ILE H A 130 ILE HG1x 1.0 . 3.4 490 376 A 130 ILE H A 130 ILE HG1y 1.0 . 3.4 491 377 A 130 ILE H A 130 ILE HG1x 1.0 . 3.4 492 377 A 130 ILE H A 130 ILE HG1y 1.0 . 3.4 493 378 A 131 ASP H A 130 ILE HG1x 1.0 . 4.0 494 378 A 131 ASP H A 130 ILE HG1y 1.0 . 4.0 495 379 A 131 ASP H A 130 ILE HG1x 1.0 . 3.8 496 379 A 131 ASP H A 130 ILE HG1y 1.0 . 3.8 497 380 A 131 ASP H A 131 ASP HBy 1.0 . 3.8 498 380 A 131 ASP H A 131 ASP HBx 1.0 . 3.8 499 381 A 131 ASP H A 130 ILE HA 1.0 . 3.5 500 382 A 132 GLY H A 131 ASP H 1.0 . 3.2 501 383 A 131 ASP H A 130 ILE H 1.0 . 3.0 502 384 A 132 GLY H A 131 ASP H 1.0 . 2.9 503 385 A 133 ASP H A 133 ASP HBy 1.0 . 3.2 504 385 A 133 ASP H A 133 ASP HBx 1.0 . 3.2 505 386 A 133 ASP H A 133 ASP HBy 1.0 . 3.4 506 386 A 133 ASP H A 133 ASP HBx 1.0 . 3.4 507 387 A 133 ASP H A 132 GLY HAy 1.0 . 3.5 508 387 A 133 ASP H A 132 GLY HAx 1.0 . 3.5 509 388 A 133 ASP H A 132 GLY HAy 1.0 . 3.4 510 388 A 133 ASP H A 132 GLY HAx 1.0 . 3.4 511 389 A 132 GLY H A 133 ASP H 1.0 . 3.1 512 390 A 133 ASP H A 135 GLN H 1.0 . 3.8 513 391 A 133 ASP H A 134 GLY H 1.0 . 3.0 514 392 A 134 GLY H A 125 ILE HG2% 1.0 . 3.7 515 393 A 134 GLY H A 133 ASP HBy 1.0 . 4.1 516 393 A 133 ASP HBx A 134 GLY H 1.0 . 4.1 517 394 A 134 GLY H A 133 ASP HBy 1.0 . 4.3 518 394 A 133 ASP HBx A 134 GLY H 1.0 . 4.3 519 395 A 134 GLY H A 134 GLY HAy 1.0 . 3.0 520 395 A 134 GLY H A 134 GLY HAx 1.0 . 3.0 521 396 A 134 GLY H A 132 GLY HAy 1.0 . 4.1 522 396 A 132 GLY HAx A 134 GLY H 1.0 . 4.1 523 397 A 134 GLY H A 134 GLY HAy 1.0 . 3.0 524 397 A 134 GLY H A 134 GLY HAx 1.0 . 3.0 525 398 A 134 GLY H A 133 ASP HA 1.0 . 3.7 526 399 A 135 GLN H A 125 ILE HG2% 1.0 . 3.6 527 400 A 135 GLN H A 135 GLN HBx 1.0 . 3.4 528 400 A 135 GLN H A 135 GLN HB3 1.0 . 3.4 529 401 A 135 GLN H A 135 GLN HBx 1.0 . 2.9 530 401 A 135 GLN H A 135 GLN HB3 1.0 . 2.9 531 402 A 135 GLN H A 133 ASP HBy 1.0 . 3.7 532 402 A 133 ASP HBx A 135 GLN H 1.0 . 3.7 533 403 A 135 GLN H A 133 ASP HBy 1.0 . 4.2 534 403 A 133 ASP HBx A 135 GLN H 1.0 . 4.2 535 404 A 135 GLN H A 134 GLY HAy 1.0 . 3.4 536 404 A 135 GLN H A 134 GLY HAx 1.0 . 3.4 537 405 A 135 GLN H A 135 GLN HA 1.0 . 3.2 538 406 A 133 ASP H A 135 GLN H 1.0 . 3.6 539 407 A 135 GLN H A 134 GLY HAy 1.0 . 3.4 540 407 A 135 GLN H A 134 GLY HAx 1.0 . 3.4 541 408 A 136 VAL H A 125 ILE HD1% 1.0 . 3.7 542 409 A 136 VAL H A 136 VAL HGy% 1.0 . 3.2 543 410 A 136 VAL HGx% A 136 VAL H 1.0 . 3.7 544 411 A 136 VAL H A 135 GLN HBx 1.0 . 3.5 545 411 A 135 GLN HB3 A 136 VAL H 1.0 . 3.5 546 412 A 100 ILE HB A 136 VAL H 1.0 . 3.1 547 413 A 136 VAL H A 136 VAL HB 1.0 . 3.2 548 414 A 135 GLN HA A 136 VAL H 1.0 . 3.1 549 415 A 136 VAL H A 136 VAL HA 1.0 . 3.7 550 416 A 100 ILE H A 136 VAL H 1.0 . 3.8 551 417 A 140 GLU H A 137 ASN H 1.0 . 4.2 552 418 A 136 VAL HA A 137 ASN H 1.0 . 3.0 553 419 A 137 ASN H A 137 ASN HBx 1.0 . 3.8 554 419 A 137 ASN H A 137 ASN HB3 1.0 . 3.8 555 420 A 137 ASN H A 140 GLU HBy 1.0 . 4.2 556 420 A 140 GLU HBx A 137 ASN H 1.0 . 4.2 557 421 A 136 VAL HGx% A 137 ASN H 1.0 . 3.5 558 422 A 132 GLY H A 131 ASP HBy 1.0 . 3.8 559 422 A 132 GLY H A 131 ASP HBx 1.0 . 3.8 560 423 A 132 GLY H A 131 ASP HBy 1.0 . 3.5 561 423 A 132 GLY H A 131 ASP HBx 1.0 . 3.5 562 424 A 133 ASP H A 134 GLY H 1.0 . 3.2 563 425 A 135 GLN H A 134 GLY H 1.0 . 3.0 564 426 A 132 GLY H A 134 GLY H 1.0 . 4.3 565 427 A 140 GLU H A 139 GLU H 1.0 . 3.4 566 428 A 140 GLU H A 140 GLU HA 1.0 . 3.4 567 429 A 140 GLU H A 139 GLU HA 1.0 . 3.8 568 430 A 140 GLU H A 140 GLU HBy 1.0 . 3.2 569 430 A 140 GLU H A 140 GLU HBx 1.0 . 3.2 570 431 A 140 GLU H A 140 GLU HBy 1.0 . 3.2 571 431 A 140 GLU H A 140 GLU HBx 1.0 . 3.2 572 432 A 140 GLU H A 139 GLU HBx 1.0 . 3.1 573 432 A 140 GLU H A 139 GLU HB3 1.0 . 3.1 574 433 A 140 GLU H A 130 ILE HD1% 1.0 . 4.2 575 434 A 141 PHE H A 140 GLU HA 1.0 . 4.1 576 435 A 141 PHE H A 142 VAL HGx% 1.0 . 4.2 577 436 A 142 VAL HGx% A 142 VAL H 1.0 . 2.9 578 437 A 16 PHE H A 15 ALA HB% 1.0 . 3.2 579 438 A 16 PHE H A 16 PHE HBy 1.0 . 3.1 580 438 A 16 PHE H A 16 PHE HBx 1.0 . 3.1 581 439 A 16 PHE H A 16 PHE HBy 1.0 . 3.0 582 439 A 16 PHE H A 16 PHE HBx 1.0 . 3.0 583 440 A 141 PHE HA A 142 VAL H 1.0 . 3.7 584 441 A 16 PHE H A 16 PHE HA 1.0 . 3.7 585 442 A 16 PHE H A 16 PHE HD% 1.0 . 3.8 586 443 A 142 VAL H A 141 PHE HD% 1.0 . 3.4 587 444 A 141 PHE H A 142 VAL H 1.0 . 3.4 588 445 A 143 GLN H A 143 GLN HBy 1.0 . 3.1 589 445 A 143 GLN H A 143 GLN HBx 1.0 . 3.1 590 446 A 143 GLN H A 142 VAL HGx% 1.0 . 3.7 591 447 A 144 MET H A 145 MET H 1.0 . 3.1 592 448 A 143 GLN H A 144 MET H 1.0 . 3.2 593 449 A 144 MET H A 144 MET HA 1.0 . 3.4 594 450 A 144 MET H A 143 GLN HA 1.0 . 3.6 595 451 A 144 MET H A 143 GLN HBy 1.0 . 3.7 596 451 A 144 MET H A 143 GLN HBx 1.0 . 3.7 597 452 A 144 MET H A 142 VAL HA 1.0 . 4.4 598 453 A 144 MET H A 144 MET HBy 1.0 . 3.1 599 453 A 144 MET H A 144 MET HBx 1.0 . 3.1 600 454 A 145 MET H A 143 GLN HA 1.0 . 4.3 601 455 A 145 MET H A 144 MET HBy 1.0 . 3.2 602 455 A 144 MET HBx A 145 MET H 1.0 . 3.2 603 456 A 145 MET H A 146 THR HG2% 1.0 . 3.5 604 457 A 146 THR H A 146 THR HA 1.0 . 3.6 605 458 A 146 THR HG2% A 146 THR H 1.0 . 3.2 606 459 A 151 ALA H A 151 ALA HA 1.0 . 3.4 607 460 A 151 ALA H A 151 ALA HB% 1.0 . 3.4 608 461 A 152 ALA HB% A 152 ALA H 1.0 . 3.6 609 462 A 151 ALA HA A 152 ALA H 1.0 . 4.1 610 463 A 156 TRP H A 155 GLY H 1.0 . 4.4 611 464 A 152 ALA HB% A 156 TRP H 1.0 . 4.0 612 465 A 156 TRP H A 157 ARG H 1.0 . 3.6 613 466 A 154 SER HA A 157 ARG H 1.0 . 3.6 614 467 A 157 ARG H A 156 TRP HBx 1.0 . 3.6 615 467 A 156 TRP HBy A 157 ARG H 1.0 . 3.6 616 468 A 158 LYS HA A 158 LYS H 1.0 . 3.4 617 469 A 158 LYS H A 158 LYS HBx 1.0 . 3.1 618 469 A 158 LYS H A 158 LYS HB3 1.0 . 3.1 619 470 A 159 ILE H A 158 LYS H 1.0 . 3.6 620 471 A 159 ILE H A 160 LYS H 1.0 . 3.5 621 472 A 160 LYS H A 160 LYS HA 1.0 . 3.5 622 473 A 160 LYS H A 160 LYS HBx 1.0 . 2.9 623 473 A 160 LYS H A 160 LYS HB3 1.0 . 2.9 624 474 A 160 LYS H A 159 ILE HG1x 1.0 . 4.0 625 474 A 160 LYS H A 159 ILE HG1y 1.0 . 4.0 626 475 A 160 LYS H A 159 ILE HD1% 1.0 . 4.2 627 476 A 162 ALA H A 163 VAL H 1.0 . 3.4 628 477 A 163 VAL H A 164 ARG H 1.0 . 3.1 629 478 A 162 ALA H A 162 ALA HA 1.0 . 3.1 630 479 A 162 ALA H A 162 ALA HB% 1.0 . 2.8 631 480 A 162 ALA H A 18 LEU HDx% 1.0 . 3.4 632 481 A 160 LYS HA A 163 VAL H 1.0 . 3.6 633 482 A 163 VAL H A 163 VAL HA 1.0 . 3.5 634 483 A 163 VAL H A 162 ALA HB% 1.0 . 3.1 635 484 A 164 ARG H A 165 GLY H 1.0 . 3.2 636 485 A 164 ARG H A 164 ARG HA 1.0 . 4.0 637 486 A 164 ARG H A 161 LEU HA 1.0 . 3.8 638 487 A 164 ARG H A 164 ARG HBx 1.0 . 3.4 639 487 A 164 ARG H A 164 ARG HB3 1.0 . 3.4 640 488 A 165 GLY H A 164 ARG HBx 1.0 . 3.7 641 488 A 165 GLY H A 164 ARG HB3 1.0 . 3.7 642 489 A 165 GLY H A 165 GLY HAy 1.0 . 3.4 643 489 A 165 GLY H A 165 GLY HAx 1.0 . 3.4 644 490 A 165 GLY H A 165 GLY HAy 1.0 . 3.4 645 490 A 165 GLY H A 165 GLY HAx 1.0 . 3.4 646 491 A 166 ALA H A 165 GLY H 1.0 . 3.7 647 492 A 164 ARG H A 165 GLY H 1.0 . 3.5 648 493 A 166 ALA H A 165 GLY H 1.0 . 3.0 649 494 A 167 GLN H A 167 GLN HBy 1.0 . 3.8 650 494 A 167 GLN H A 167 GLN HBx 1.0 . 3.8 651 495 A 167 GLN H A 167 GLN HA 1.0 . 3.6 652 496 A 165 GLY H A 164 ARG HA 1.0 . 4.0 653 497 A 131 ASP H A 130 ILE H 1.0 . 3.4 654 498 A 129 ASP H A 130 ILE H 1.0 . 4.2 655 499 A 130 ILE H A 129 ASP HA 1.0 . 3.0 656 500 A 130 ILE H A 130 ILE HD1% 1.0 . 3.2 657 501 A 169 LYS H A 168 ALA HB% 1.0 . 3.1 658 502 A 169 LYS H A 169 LYS HBx 1.0 . 3.0 659 502 A 169 LYS H A 169 LYS HBy 1.0 . 3.0 660 503 A 135 GLN H A 136 VAL H 1.0 . 4.2 661 504 A 139 GLU H A 138 TYR HD% 1.0 . 3.7 662 505 A 140 GLU H A 139 GLU H 1.0 . 3.2 663 506 A 141 PHE H A 140 GLU H 1.0 . 3.5 664 507 A 139 GLU H A 139 GLU HA 1.0 . 3.1 665 508 A 138 TYR HA A 139 GLU H 1.0 . 3.5 666 509 A 139 GLU H A 138 TYR HBy 1.0 . 3.0 667 509 A 139 GLU H A 138 TYR HBx 1.0 . 3.0 668 510 A 141 PHE H A 136 VAL HGx% 1.0 . 3.4 669 511 A 143 GLN H A 142 VAL H 1.0 . 3.4 670 512 A 143 GLN H A 142 VAL H 1.0 . 3.5 671 513 A 144 MET H A 145 MET H 1.0 . 3.4 672 514 A 156 TRP H A 124 MET HE% 1.0 . 3.5 673 515 A 156 TRP H A 109 MET HE% 1.0 . 4.0 674 516 A 156 TRP H A 157 ARG H 1.0 . 3.1 675 517 A 156 TRP HE1 A 125 ILE HA 1.0 . 4.4 676 518 A 157 ARG H A 158 LYS H 1.0 . 3.5 677 519 A 159 ILE HA A 162 ALA H 1.0 . 4.0 678 520 A 160 LYS H A 159 ILE HA 1.0 . 4.3 679 521 A 12 PHE H A 12 PHE HD% 1.0 . 3.2 680 522 A 139 GLU H A 138 TYR H 1.0 . 3.5 681 523 A 13 LYS H A 12 PHE HA 1.0 . 4.2 682 524 A 13 LYS H A 12 PHE HBx 1.0 . 3.5 683 524 A 13 LYS H A 12 PHE HB3 1.0 . 3.5 684 525 A 16 PHE H A 17 SER H 1.0 . 3.5 685 526 A 15 ALA H A 14 GLU H 1.0 . 3.2 686 527 A 17 SER H A 16 PHE HBy 1.0 . 3.5 687 527 A 16 PHE HBx A 17 SER H 1.0 . 3.5 688 528 A 18 LEU H A 18 LEU HBy 1.0 . 2.9 689 528 A 18 LEU H A 18 LEU HBx 1.0 . 2.9 690 529 A 19 PHE H A 18 LEU HDx% 1.0 . 4.1 691 530 A 26 THR H A 25 GLY HAy 1.0 . 3.4 692 530 A 26 THR H A 25 GLY HAx 1.0 . 3.4 693 531 A 26 THR H A 27 ILE H 1.0 . 4.4 694 532 A 29 THR HG2% A 29 THR H 1.0 . 3.0 695 533 A 30 LYS H A 30 LYS HA 1.0 . 4.0 696 534 A 30 LYS H A 30 LYS HBx 1.0 . 3.6 697 534 A 30 LYS HB3 A 30 LYS H 1.0 . 3.6 698 535 A 29 THR HG2% A 30 LYS H 1.0 . 4.1 699 536 A 32 LEU H A 32 LEU HBy 1.0 . 3.1 700 536 A 32 LEU HBx A 32 LEU H 1.0 . 3.1 701 537 A 33 GLY H A 34 THR H 1.0 . 3.7 702 538 A 41 GLN H A 40 GLY HAy 1.0 . 3.6 703 538 A 41 GLN H A 40 GLY HAx 1.0 . 3.6 704 539 A 45 GLU H A 46 ALA H 1.0 . 4.1 705 540 A 45 GLU H A 46 ALA H 1.0 . 4.0 706 541 A 53 ASN H A 52 ILE HG2% 1.0 . 3.4 707 542 A 52 ILE H A 52 ILE HG1x 1.0 . 3.2 708 542 A 52 ILE H A 52 ILE HG1y 1.0 . 3.2 709 543 A 52 ILE HB A 53 ASN H 1.0 . 3.1 710 544 A 55 VAL H A 54 GLU HA 1.0 . 3.7 711 545 A 54 GLU HA A 56 ASP H 1.0 . 4.3 712 546 A 55 VAL H A 56 ASP H 1.0 . 3.0 713 547 A 54 GLU H A 55 VAL H 1.0 . 2.8 714 548 A 57 ALA H A 58 ASP H 1.0 . 3.4 715 549 A 55 VAL HGy% A 56 ASP H 1.0 . 3.4 716 550 A 57 ALA H A 56 ASP HA 1.0 . 3.0 717 551 A 61 GLY H A 62 THR H 1.0 . 3.1 718 552 A 62 THR H A 52 ILE HG2% 1.0 . 3.7 719 553 A 156 TRP HE3 A 156 TRP HZ3 1.0 . 4.3 720 554 A 16 PHE HD% A 16 PHE HBy 1.0 . 3.7 721 554 A 16 PHE HBx A 16 PHE HD% 1.0 . 3.7 722 555 A 99 TYR HD% A 99 TYR HA 1.0 . 5.0 723 556 A 99 TYR HD% A 137 ASN HBx 1.0 . 5.0 724 556 A 99 TYR HD% A 137 ASN HB3 1.0 . 5.0 725 557 A 99 TYR HD% A 99 TYR HA 1.0 . 5.0 726 558 A 99 TYR HD% A 99 TYR HE% 1.0 . 4.2 727 559 A 99 TYR HD% A 99 TYR HE% 1.0 . 3.1 728 560 A 99 TYR HA A 99 TYR HE% 1.0 . 5.0 729 561 A 99 TYR HE% A 135 GLN HBx 1.0 . 4.8 730 561 A 135 GLN HB3 A 99 TYR HE% 1.0 . 4.8 731 562 A 138 TYR HD% A 138 TYR HE% 1.0 . 3.4 732 563 A 86 ARG H A 138 TYR HE% 1.0 . 4.7 733 564 A 141 PHE HD% A 138 TYR HE% 1.0 . 4.8 734 565 A 138 TYR HE% A 141 PHE HE% 1.0 . 5.0 735 566 A 138 TYR HE% A 86 ARG HA 1.0 . 4.0 736 567 A 138 TYR HE% A 89 PHE HBy 1.0 . 4.4 737 567 A 89 PHE HBx A 138 TYR HE% 1.0 . 4.4 738 568 A 138 TYR HE% A 138 TYR HBy 1.0 . 4.6 739 568 A 138 TYR HBx A 138 TYR HE% 1.0 . 4.6 740 569 A 138 TYR HE% A 142 VAL HGy% 1.0 . 5.0 741 570 A 138 TYR HE% A 85 ILE HG2% 1.0 . 4.2 742 571 A 138 TYR HE% A 86 ARG HBy 1.0 . 4.6 743 571 A 86 ARG HBx A 138 TYR HE% 1.0 . 4.6 744 572 A 138 TYR HE% A 86 ARG HGx 1.0 . 4.3 745 572 A 86 ARG HG3 A 138 TYR HE% 1.0 . 4.3 746 573 A 156 TRP HZ2 A 125 ILE HD1% 1.0 . 4.8 747 574 A 156 TRP HE3 A 159 ILE HG2% 1.0 . 5.0 748 575 A 156 TRP HE3 A 105 LEU HDx% 1.0 . 5.0 749 576 A 156 TRP HE3 A 105 LEU HDy% 1.0 . 5.0 750 577 A 156 TRP HA A 156 TRP HE3 1.0 . 5.0 751 578 A 156 TRP HE3 A 156 TRP HBx 1.0 . 5.0 752 578 A 156 TRP HBy A 156 TRP HE3 1.0 . 5.0 753 579 A 156 TRP HD1 A 156 TRP HA 1.0 . 5.0 754 580 A 156 TRP HD1 A 156 TRP HBx 1.0 . 5.0 755 580 A 156 TRP HD1 A 156 TRP HBy 1.0 . 5.0 756 581 A 156 TRP HD1 A 127 GLU HBy 1.0 . 5.0 757 581 A 156 TRP HD1 A 127 GLU HBx 1.0 . 5.0 758 582 A 156 TRP HD1 A 127 GLU HBy 1.0 . 5.0 759 582 A 156 TRP HD1 A 127 GLU HBx 1.0 . 5.0 760 583 A 156 TRP HD1 A 152 ALA HB% 1.0 . 5.0 761 584 A 141 PHE HA A 141 PHE HD% 1.0 . 4.7 762 585 A 141 PHE HD% A 141 PHE HBy 1.0 . 4.7 763 585 A 141 PHE HBx A 141 PHE HD% 1.0 . 4.7 764 586 A 141 PHE HD% A 141 PHE HBy 1.0 . 4.6 765 586 A 141 PHE HBx A 141 PHE HD% 1.0 . 4.6 766 587 A 85 ILE HA A 141 PHE HE% 1.0 . 5.0 767 588 A 141 PHE HD% A 141 PHE HE% 1.0 . 4.3 768 589 A 141 PHE HD% A 141 PHE HE% 1.0 . 4.0 769 590 A 141 PHE HE% A 88 ALA HB% 1.0 . 4.9 770 591 A 141 PHE HE% A 85 ILE HG2% 1.0 . 4.9 771 592 A 92 PHE HD% A 92 PHE HA 1.0 . 4.7 772 593 A 92 PHE HD% A 92 PHE HBy 1.0 . 4.8 773 593 A 92 PHE HBx A 92 PHE HD% 1.0 . 4.8 774 594 A 92 PHE HD% A 91 VAL HB 1.0 . 5.0 775 595 A 92 PHE HD% A 163 VAL HGy% 1.0 . 4.7 776 596 A 108 VAL HGx% A 92 PHE HD% 1.0 . 5.0 777 597 A 88 ALA HB% A 92 PHE HD% 1.0 . 5.0 778 598 A 92 PHE HD% A 92 PHE HE% 1.0 . 3.8 779 599 A 92 PHE HD% A 92 PHE HE% 1.0 . 3.5 780 600 A 92 PHE HA A 92 PHE HE% 1.0 . 5.0 781 601 A 92 PHE HE% A 92 PHE HBy 1.0 . 5.0 782 601 A 92 PHE HBx A 92 PHE HE% 1.0 . 5.0 783 602 A 88 ALA HB% A 92 PHE HE% 1.0 . 4.9 784 603 A 159 ILE HG2% A 92 PHE HE% 1.0 . 4.6 785 604 A 163 VAL HGy% A 92 PHE HE% 1.0 . 4.3 786 605 A 92 PHE HE% A 108 VAL HGy% 1.0 . 4.7 787 606 A 108 VAL HGx% A 92 PHE HE% 1.0 . 5.0 788 607 A 27 ILE HD1% A 16 PHE HD% 1.0 . 4.7 789 608 A 16 PHE H A 16 PHE HD% 1.0 . 4.8 790 609 A 52 ILE HD1% A 63 ILE H 1.0 . 3.7 791 610 A 160 LYS H A 159 ILE HG2% 1.0 . 4.0 792 611 A 52 ILE HA A 52 ILE HD1% 1.0 . 3.6 793 612 A 52 ILE HD1% A 52 ILE HG1x 1.0 . 2.9 794 612 A 52 ILE HD1% A 52 ILE HG1y 1.0 . 2.9 795 613 A 29 THR HG2% A 52 ILE HD1% 1.0 . 2.8 796 614 A 52 ILE HD1% A 52 ILE HG1x 1.0 . 2.8 797 614 A 52 ILE HD1% A 52 ILE HG1y 1.0 . 2.8 798 615 A 57 ALA HB% A 58 ASP H 1.0 . 3.5 799 616 A 57 ALA H A 57 ALA HB% 1.0 . 3.0 800 617 A 57 ALA HA A 57 ALA HB% 1.0 . 2.6 801 618 A 88 ALA HB% A 92 PHE HE% 1.0 . 3.4 802 619 A 88 ALA HA A 88 ALA HB% 1.0 . 2.8 803 620 A 103 ALA HB% A 101 SER HBy 1.0 . 3.0 804 620 A 101 SER HBx A 103 ALA HB% 1.0 . 3.0 805 621 A 159 ILE HA A 162 ALA HB% 1.0 . 3.5 806 622 A 162 ALA H A 162 ALA HB% 1.0 . 3.1 807 623 A 163 VAL H A 162 ALA HB% 1.0 . 3.6 808 624 A 35 VAL HG1% A 162 ALA HB% 1.0 . 3.6 809 625 A 151 ALA HA A 151 ALA HB% 1.0 . 2.6 810 626 A 151 ALA H A 151 ALA HB% 1.0 . 3.5 811 627 A 152 ALA HB% A 152 ALA H 1.0 . 3.5 812 628 A 152 ALA HB% A 152 ALA HA 1.0 . 2.8 813 629 A 159 ILE HA A 162 ALA HB% 1.0 . 3.4 814 630 A 46 ALA HB% A 46 ALA HA 1.0 . 2.5 815 631 A 163 VAL H A 162 ALA HB% 1.0 . 3.4 816 632 A 73 ALA HA A 73 ALA HB% 1.0 . 3.1 817 633 A 15 ALA HB% A 161 LEU HDy% 1.0 . 3.1 818 634 A 15 ALA HB% A 161 LEU HDx% 1.0 . 3.7 819 635 A 12 PHE HA A 15 ALA HB% 1.0 . 3.7 820 636 A 16 PHE H A 15 ALA HB% 1.0 . 3.8 821 637 A 55 VAL H A 55 VAL HGy% 1.0 . 3.0 822 638 A 55 VAL HA A 55 VAL HGx% 1.0 . 3.0 823 639 A 55 VAL HGy% A 55 VAL HA 1.0 . 3.4 824 640 A 68 PHE HA A 55 VAL HGx% 1.0 . 3.7 825 641 A 55 VAL HGx% A 55 VAL HB 1.0 . 2.8 826 642 A 55 VAL HGx% A 63 ILE HG1x 1.0 . 3.8 827 642 A 63 ILE HG13 A 55 VAL HGx% 1.0 . 3.8 828 643 A 142 VAL HGx% A 85 ILE HG2% 1.0 . 3.1 829 644 A 85 ILE HG2% A 85 ILE HG1y 1.0 . 3.0 830 644 A 85 ILE HG1x A 85 ILE HG2% 1.0 . 3.0 831 645 A 85 ILE HG2% A 85 ILE HB 1.0 . 3.1 832 646 A 85 ILE HA A 85 ILE HG2% 1.0 . 3.4 833 647 A 85 ILE HG2% A 82 GLU HA 1.0 . 4.0 834 648 A 138 TYR HE% A 85 ILE HG2% 1.0 . 3.7 835 649 A 141 PHE HD% A 85 ILE HG2% 1.0 . 3.4 836 650 A 141 PHE HE% A 85 ILE HG2% 1.0 . 3.4 837 651 A 86 ARG H A 85 ILE HG2% 1.0 . 3.8 838 652 A 85 ILE HD1% A 142 VAL HA 1.0 . 4.0 839 653 A 85 ILE HD1% A 85 ILE HG2% 1.0 . 2.6 840 654 A 159 ILE HD1% A 156 TRP HE3 1.0 . 3.4 841 655 A 156 TRP HE3 A 159 ILE HG2% 1.0 . 3.0 842 656 A 159 ILE HD1% A 156 TRP HZ3 1.0 . 3.5 843 657 A 156 TRP HA A 159 ILE HD1% 1.0 . 3.8 844 658 A 159 ILE HB A 159 ILE HD1% 1.0 . 3.2 845 659 A 159 ILE HD1% A 159 ILE HG1x 1.0 . 3.0 846 659 A 159 ILE HG1y A 159 ILE HD1% 1.0 . 3.0 847 660 A 159 ILE HD1% A 159 ILE HG2% 1.0 . 2.9 848 661 A 156 TRP HA A 159 ILE HG2% 1.0 . 3.8 849 662 A 160 LYS HA A 159 ILE HG2% 1.0 . 3.8 850 663 A 159 ILE HA A 159 ILE HG2% 1.0 . 3.1 851 664 A 159 ILE HG2% A 159 ILE HG1x 1.0 . 3.0 852 664 A 159 ILE HG1y A 159 ILE HG2% 1.0 . 3.0 853 665 A 159 ILE HD1% A 159 ILE HG2% 1.0 . 2.9 854 666 A 108 VAL HGx% A 159 ILE HG2% 1.0 . 4.2 855 667 A 159 ILE HG2% A 159 ILE HG1x 1.0 . 3.1 856 667 A 159 ILE HG1y A 159 ILE HG2% 1.0 . 3.1 857 668 A 159 ILE HB A 159 ILE HG2% 1.0 . 3.0 858 669 A 100 ILE HG2% A 101 SER H 1.0 . 3.6 859 670 A 100 ILE HG2% A 105 LEU H 1.0 . 3.6 860 671 A 100 ILE HD1% A 93 ASP H 1.0 . 4.0 861 672 A 100 ILE HD1% A 141 PHE HD% 1.0 . 3.1 862 673 A 100 ILE HG2% A 156 TRP HH2 1.0 . 3.7 863 674 A 100 ILE HG2% A 100 ILE HA 1.0 . 3.5 864 675 A 100 ILE HG2% A 105 LEU HA 1.0 . 3.6 865 676 A 100 ILE HD1% A 92 PHE HBy 1.0 . 3.2 866 676 A 100 ILE HD1% A 92 PHE HBx 1.0 . 3.2 867 677 A 100 ILE HD1% A 136 VAL HB 1.0 . 3.6 868 678 A 100 ILE HG2% A 100 ILE HB 1.0 . 3.2 869 679 A 100 ILE HG2% A 92 PHE HBy 1.0 . 3.5 870 679 A 100 ILE HG2% A 92 PHE HBx 1.0 . 3.5 871 680 A 100 ILE HD1% A 89 PHE HBy 1.0 . 3.7 872 680 A 89 PHE HBx A 100 ILE HD1% 1.0 . 3.7 873 681 A 100 ILE HD1% A 89 PHE HBy 1.0 . 4.0 874 681 A 89 PHE HBx A 100 ILE HD1% 1.0 . 4.0 875 682 A 100 ILE HG2% A 100 ILE HD1% 1.0 . 3.0 876 683 A 100 ILE HG2% A 100 ILE HD1% 1.0 . 2.8 877 684 A 136 VAL H A 125 ILE HD1% 1.0 . 3.7 878 685 A 125 ILE HA A 125 ILE HG2% 1.0 . 3.1 879 686 A 125 ILE HG2% A 125 ILE HB 1.0 . 3.0 880 687 A 125 ILE HD1% A 125 ILE HB 1.0 . 3.4 881 688 A 125 ILE HA A 125 ILE HD1% 1.0 . 3.2 882 689 A 125 ILE HG2% A 125 ILE HG1x 1.0 . 3.0 883 689 A 125 ILE HG2% A 125 ILE HG1y 1.0 . 3.0 884 690 A 130 ILE HA A 130 ILE HG2% 1.0 . 3.0 885 691 A 130 ILE HG2% A 130 ILE HB 1.0 . 2.8 886 692 A 130 ILE HD1% A 130 ILE HG1x 1.0 . 2.8 887 692 A 130 ILE HG1y A 130 ILE HD1% 1.0 . 2.8 888 693 A 130 ILE HG2% A 130 ILE HG1x 1.0 . 3.0 889 693 A 130 ILE HG1y A 130 ILE HG2% 1.0 . 3.0 890 694 A 130 ILE HG2% A 130 ILE HG1x 1.0 . 3.1 891 694 A 130 ILE HG1y A 130 ILE HG2% 1.0 . 3.1 892 695 A 52 ILE HG2% A 52 ILE HG1x 1.0 . 3.1 893 695 A 52 ILE HG2% A 52 ILE HG1y 1.0 . 3.1 894 696 A 52 ILE HG2% A 56 ASP HBy 1.0 . 3.2 895 696 A 56 ASP HBx A 52 ILE HG2% 1.0 . 3.2 896 697 A 52 ILE HA A 52 ILE HG2% 1.0 . 3.1 897 698 A 29 THR H A 52 ILE HD1% 1.0 . 4.0 898 699 A 27 ILE HG2% A 32 LEU H 1.0 . 3.6 899 700 A 28 THR H A 27 ILE HG2% 1.0 . 3.6 900 701 A 27 ILE HA A 27 ILE HG2% 1.0 . 3.5 901 702 A 27 ILE HG2% A 32 LEU HA 1.0 . 3.6 902 703 A 27 ILE HG2% A 31 GLU HBx 1.0 . 3.2 903 703 A 27 ILE HG2% A 31 GLU HB3 1.0 . 3.2 904 704 A 27 ILE HG2% A 31 GLU HBx 1.0 . 3.4 905 704 A 27 ILE HG2% A 31 GLU HB3 1.0 . 3.4 906 705 A 27 ILE HB A 27 ILE HG2% 1.0 . 3.0 907 706 A 27 ILE HD1% A 27 ILE HG2% 1.0 . 3.0 908 707 A 27 ILE HD1% A 27 ILE HG2% 1.0 . 3.0 909 708 A 27 ILE HB A 27 ILE HD1% 1.0 . 3.4 910 709 A 27 ILE HD1% A 68 PHE HBx 1.0 . 3.7 911 709 A 68 PHE HB3 A 27 ILE HD1% 1.0 . 3.7 912 710 A 27 ILE HD1% A 16 PHE HD% 1.0 . 3.8 913 711 A 142 VAL HGx% A 142 VAL HGy% 1.0 . 2.8 914 712 A 142 VAL HGy% A 142 VAL HB 1.0 . 2.9 915 713 A 142 VAL HA A 142 VAL HGy% 1.0 . 3.4 916 714 A 139 GLU HA A 142 VAL HGx% 1.0 . 3.4 917 715 A 142 VAL HGx% A 138 TYR HD% 1.0 . 3.7 918 716 A 142 VAL HGx% A 138 TYR HE% 1.0 . 3.5 919 717 A 142 VAL HGx% A 141 PHE HD% 1.0 . 3.8 920 718 A 142 VAL HGx% A 142 VAL H 1.0 . 3.0 921 719 A 142 VAL H A 142 VAL HGy% 1.0 . 3.7 922 720 A 143 GLN H A 142 VAL HGy% 1.0 . 3.7 923 721 A 142 VAL HGx% A 142 VAL HB 1.0 . 2.8 924 722 A 142 VAL HGx% A 85 ILE HG2% 1.0 . 2.9 925 723 A 69 LEU HDx% A 69 LEU HA 1.0 . 3.2 926 724 A 69 LEU HDy% A 69 LEU HBx 1.0 . 3.6 927 724 A 69 LEU HB3 A 69 LEU HDy% 1.0 . 3.6 928 725 A 69 LEU HDx% A 69 LEU HBx 1.0 . 3.2 929 725 A 69 LEU HDx% A 69 LEU HB3 1.0 . 3.2 930 726 A 108 VAL H A 108 VAL HGx% 1.0 . 3.7 931 727 A 108 VAL HGx% A 92 PHE HD% 1.0 . 4.0 932 728 A 108 VAL HA A 108 VAL HGx% 1.0 . 3.4 933 729 A 108 VAL HGx% A 108 VAL HB 1.0 . 2.9 934 730 A 108 VAL HGx% A 159 ILE HG2% 1.0 . 4.0 935 731 A 108 VAL HGx% A 108 VAL HGy% 1.0 . 2.6 936 732 A 112 LEU HDx% A 38 SER HBx 1.0 . 3.8 937 732 A 38 SER HB3 A 112 LEU HDx% 1.0 . 3.8 938 733 A 35 VAL HA A 112 LEU HDx% 1.0 . 3.6 939 734 A 35 VAL HA A 112 LEU HDy% 1.0 . 3.6 940 735 A 112 LEU HDy% A 112 LEU HBy 1.0 . 2.6 941 735 A 112 LEU HBx A 112 LEU HDy% 1.0 . 2.6 942 736 A 112 LEU HDx% A 112 LEU HBy 1.0 . 2.6 943 736 A 112 LEU HBx A 112 LEU HDx% 1.0 . 2.6 944 737 A 162 ALA HB% A 112 LEU HDy% 1.0 . 2.9 945 738 A 105 LEU HDx% A 92 PHE HD% 1.0 . 3.6 946 739 A 105 LEU HA A 105 LEU HDx% 1.0 . 3.5 947 740 A 105 LEU HDy% A 105 LEU HBy 1.0 . 3.0 948 740 A 105 LEU HBx A 105 LEU HDy% 1.0 . 3.0 949 741 A 105 LEU HDy% A 121 VAL HGx% 1.0 . 3.1 950 742 A 105 LEU HDx% A 105 LEU HBy 1.0 . 2.8 951 742 A 105 LEU HBx A 105 LEU HDx% 1.0 . 2.8 952 743 A 105 LEU HDx% A 105 LEU HBy 1.0 . 3.1 953 743 A 105 LEU HBx A 105 LEU HDx% 1.0 . 3.1 954 744 A 91 VAL HA A 91 VAL HGx% 1.0 . 3.6 955 745 A 27 ILE H A 26 THR HG2% 1.0 . 4.1 956 746 A 26 THR H A 26 THR HG2% 1.0 . 3.6 957 747 A 26 THR HA A 26 THR HG2% 1.0 . 3.2 958 748 A 62 THR HB A 26 THR HG2% 1.0 . 3.5 959 749 A 26 THR HB A 26 THR HG2% 1.0 . 3.0 960 750 A 146 THR HG2% A 146 THR H 1.0 . 3.5 961 751 A 116 LEU H A 116 LEU HDx% 1.0 . 3.5 962 752 A 116 LEU HDy% A 116 LEU HBy 1.0 . 2.8 963 752 A 116 LEU HBx A 116 LEU HDy% 1.0 . 2.8 964 753 A 116 LEU HDx% A 116 LEU HBy 1.0 . 2.6 965 753 A 116 LEU HBx A 116 LEU HDx% 1.0 . 2.6 966 754 A 18 LEU HDy% A 18 LEU HBy 1.0 . 3.0 967 754 A 18 LEU HBx A 18 LEU HDy% 1.0 . 3.0 968 755 A 18 LEU HDx% A 18 LEU HBy 1.0 . 2.9 969 755 A 18 LEU HBx A 18 LEU HDx% 1.0 . 2.9 970 756 A 18 LEU HDx% A 18 LEU HBy 1.0 . 2.8 971 756 A 18 LEU HBx A 18 LEU HDx% 1.0 . 2.8 972 757 A 18 LEU HDy% A 18 LEU HBy 1.0 . 2.8 973 757 A 18 LEU HBx A 18 LEU HDy% 1.0 . 2.8 974 758 A 162 ALA HB% A 18 LEU HDx% 1.0 . 2.9 975 759 A 162 ALA HB% A 18 LEU HDy% 1.0 . 2.9 976 760 A 162 ALA H A 18 LEU HDy% 1.0 . 3.8 977 761 A 39 LEU HA A 39 LEU HDy% 1.0 . 4.0 978 762 A 163 VAL HA A 39 LEU HDy% 1.0 . 3.6 979 763 A 39 LEU HDy% A 39 LEU HBy 1.0 . 3.1 980 763 A 39 LEU HBx A 39 LEU HDy% 1.0 . 3.1 981 764 A 39 LEU HDy% A 39 LEU HBy 1.0 . 2.9 982 764 A 39 LEU HBx A 39 LEU HDy% 1.0 . 2.9 983 765 A 162 ALA HB% A 39 LEU HDy% 1.0 . 3.1 984 766 A 162 ALA HB% A 39 LEU HDx% 1.0 . 3.0 985 767 A 39 LEU HDx% A 39 LEU HBy 1.0 . 2.8 986 767 A 39 LEU HBx A 39 LEU HDx% 1.0 . 2.8 987 768 A 91 VAL HB A 91 VAL HGx% 1.0 . 2.8 988 769 A 163 VAL HA A 39 LEU HDx% 1.0 . 3.6 989 770 A 39 LEU H A 39 LEU HDx% 1.0 . 3.1 990 771 A 163 VAL H A 163 VAL HGx% 1.0 . 3.1 991 772 A 92 PHE HE% A 163 VAL HGx% 1.0 . 3.6 992 773 A 160 LYS HA A 163 VAL HGx% 1.0 . 3.6 993 774 A 163 VAL HGx% A 163 VAL HB 1.0 . 3.0 994 775 A 163 VAL HGy% A 163 VAL HGx% 1.0 . 2.6 995 776 A 163 VAL HGy% A 163 VAL HB 1.0 . 2.9 996 777 A 48 LEU HDy% A 48 LEU H 1.0 . 2.8 997 778 A 48 LEU HDy% A 48 LEU HA 1.0 . 2.8 998 779 A 52 ILE H A 32 LEU HDx% 1.0 . 3.7 999 780 A 136 VAL HGx% A 137 ASN H 1.0 . 3.7 1000 781 A 136 VAL H A 136 VAL HGy% 1.0 . 3.2 1001 782 A 136 VAL HGy% A 156 TRP HH2 1.0 . 2.8 1002 783 A 156 TRP HZ2 A 136 VAL HGy% 1.0 . 2.8 1003 784 A 136 VAL HGy% A 136 VAL HA 1.0 . 3.2 1004 785 A 136 VAL HGx% A 136 VAL HA 1.0 . 3.5 1005 786 A 136 VAL HGy% A 136 VAL HB 1.0 . 3.0 1006 787 A 136 VAL HGx% A 136 VAL HB 1.0 . 2.9 1007 788 A 140 GLU H A 139 GLU HBx 1.0 . 3.1 1008 788 A 140 GLU H A 139 GLU HB3 1.0 . 3.1 1009 789 A 85 ILE H A 85 ILE HA 1.0 . 3.8 1010 790 A 85 ILE HA A 88 ALA HB% 1.0 . 3.7 1011 791 A 85 ILE HA A 85 ILE HG1y 1.0 . 3.5 1012 791 A 85 ILE HG1x A 85 ILE HA 1.0 . 3.5 1013 792 A 85 ILE HA A 85 ILE HB 1.0 . 3.7 1014 793 A 17 SER H A 17 SER HA 1.0 . 3.7 1015 794 A 68 PHE HA A 72 MET H 1.0 . 4.6 1016 795 A 68 PHE H A 68 PHE HA 1.0 . 4.3 1017 796 A 68 PHE HA A 68 PHE HBx 1.0 . 4.2 1018 796 A 68 PHE HA A 68 PHE HB3 1.0 . 4.2 1019 797 A 68 PHE HA A 71 MET HBy 1.0 . 4.0 1020 797 A 68 PHE HA A 71 MET HBx 1.0 . 4.0 1021 798 A 68 PHE HA A 63 ILE HD1% 1.0 . 4.3 1022 799 A 68 PHE H A 68 PHE HA 1.0 . 4.3 1023 800 A 68 PHE HA A 71 MET H 1.0 . 4.3 1024 801 A 27 ILE HA A 27 ILE HD1% 1.0 . 4.4 1025 802 A 27 ILE HA A 27 ILE HG2% 1.0 . 4.0 1026 803 A 27 ILE HA A 28 THR H 1.0 . 3.8 1027 804 A 156 TRP HZ3 A 156 TRP HBx 1.0 . 5.0 1028 804 A 156 TRP HBy A 156 TRP HZ3 1.0 . 5.0 1029 805 A 136 VAL HB A 156 TRP HZ3 1.0 . 5.0 1030 806 A 136 VAL HGx% A 156 TRP HZ3 1.0 . 4.9 1031 807 A 136 VAL HGy% A 156 TRP HZ3 1.0 . 4.4 1032 808 A 156 TRP HZ3 A 105 LEU HDx% 1.0 . 4.8 1033 809 A 156 TRP HE3 A 156 TRP HZ3 1.0 . 5.0 1034 810 A 156 TRP HZ3 A 141 PHE HE% 1.0 . 5.0 1035 811 A 156 TRP HA A 156 TRP HZ3 1.0 . 5.0 1036 812 A 156 TRP HZ3 A 156 TRP HBx 1.0 . 5.0 1037 812 A 156 TRP HBy A 156 TRP HZ3 1.0 . 5.0 1038 813 A 156 TRP HZ3 A 105 LEU HDy% 1.0 . 5.0 1039 814 A 100 ILE HD1% A 156 TRP HZ3 1.0 . 5.0 1040 815 A 156 TRP HZ3 A 141 PHE HE% 1.0 . 5.0 1041 816 A 156 TRP HE3 A 156 TRP HZ3 1.0 . 5.0 1042 817 A 142 VAL HGx% A 138 TYR HE% 1.0 . 4.2 1043 818 A 99 TYR HD% A 136 VAL HA 1.0 . 5.0 1044 819 A 138 TYR HD% A 138 TYR H 1.0 . 4.6 1045 820 A 139 GLU H A 138 TYR HD% 1.0 . 4.8 1046 821 A 138 TYR HD% A 141 PHE HE% 1.0 . 5.0 1047 822 A 141 PHE HD% A 138 TYR HD% 1.0 . 4.7 1048 823 A 138 TYR HD% A 86 ARG HA 1.0 . 5.0 1049 824 A 139 GLU HA A 138 TYR HD% 1.0 . 5.0 1050 825 A 138 TYR HA A 138 TYR HD% 1.0 . 3.8 1051 826 A 138 TYR HD% A 89 PHE HBy 1.0 . 4.3 1052 826 A 89 PHE HBx A 138 TYR HD% 1.0 . 4.3 1053 827 A 138 TYR HD% A 138 TYR HBy 1.0 . 3.8 1054 827 A 138 TYR HD% A 138 TYR HBx 1.0 . 3.8 1055 828 A 138 TYR HD% A 138 TYR HBy 1.0 . 3.8 1056 828 A 138 TYR HD% A 138 TYR HBx 1.0 . 3.8 1057 829 A 138 TYR HD% A 85 ILE HG2% 1.0 . 5.0 1058 830 A 138 TYR HD% A 142 VAL HGy% 1.0 . 5.0 1059 831 A 142 VAL HGx% A 138 TYR HD% 1.0 . 4.7 1060 832 A 16 PHE HD% A 13 LYS HDx 1.0 . 5.0 1061 832 A 13 LYS HD3 A 16 PHE HD% 1.0 . 5.0 1062 833 A 27 ILE HD1% A 68 PHE HD% 1.0 . 5.0 1063 834 A 12 PHE HE% A 69 LEU HDx% 1.0 . 5.0 1064 835 A 12 PHE HE% A 161 LEU HDy% 1.0 . 5.0 1065 836 A 88 ALA HA A 92 PHE HE% 1.0 . 5.0 1066 837 A 92 PHE HE% A 108 VAL HB 1.0 . 5.0 1067 838 A 92 PHE HD% A 108 VAL HB 1.0 . 5.0 1068 839 A 105 LEU HA A 92 PHE HD% 1.0 . 5.0 1069 840 A 141 PHE HD% A 138 TYR HE% 1.0 . 5.0 1070 841 A 156 TRP HE1 A 124 MET HE% 1.0 . 3.8 1071 842 A 156 TRP H A 124 MET HE% 1.0 . 3.6 1072 843 A 124 MET HE% A 156 TRP HE3 1.0 . 3.8 1073 844 A 156 TRP HA A 124 MET HE% 1.0 . 3.1 1074 845 A 124 MET HE% A 155 GLY HAy 1.0 . 3.5 1075 845 A 155 GLY HAx A 124 MET HE% 1.0 . 3.5 1076 846 A 124 MET HE% A 159 ILE HG2% 1.0 . 3.4 1077 847 A 156 TRP HZ2 A 124 MET HE% 1.0 . 3.6 1078 848 A 124 MET HE% A 156 TRP HH2 1.0 . 3.8 1079 849 A 108 VAL HGx% A 109 MET HE% 1.0 . 4.3 1080 850 A 159 ILE HD1% A 109 MET HE% 1.0 . 3.5 1081 851 A 109 MET HE% A 159 ILE HG2% 1.0 . 4.1 1082 852 A 109 MET HE% A 121 VAL HGy% 1.0 . 3.7 1083 853 A 159 ILE HB A 109 MET HE% 1.0 . 2.8 1084 854 A 109 MET HE% A 155 GLY HAy 1.0 . 3.2 1085 854 A 155 GLY HAx A 109 MET HE% 1.0 . 3.2 1086 855 A 109 MET HE% A 155 GLY HAy 1.0 . 3.2 1087 855 A 155 GLY HAx A 109 MET HE% 1.0 . 3.2 1088 856 A 159 ILE H A 109 MET HE% 1.0 . 4.0 1089 857 A 72 MET H A 71 MET HE% 1.0 . 4.1 1090 858 A 71 MET H A 71 MET HE% 1.0 . 4.1 1091 859 A 71 MET HE% A 165 GLY HAy 1.0 . 3.2 1092 859 A 165 GLY HAx A 71 MET HE% 1.0 . 3.2 1093 860 A 68 PHE HA A 71 MET HE% 1.0 . 3.2 1094 861 A 71 MET HE% A 168 ALA HA 1.0 . 4.3 1095 862 A 71 MET HE% A 68 PHE HBx 1.0 . 4.2 1096 862 A 68 PHE HB3 A 71 MET HE% 1.0 . 4.2 1097 863 A 36 MET H A 36 MET HE% 1.0 . 3.6 1098 864 A 156 TRP HD1 A 144 MET HE% 1.0 . 3.6 1099 865 A 141 PHE HE% A 144 MET HE% 1.0 . 3.6 1100 866 A 156 TRP HE3 A 144 MET HE% 1.0 . 3.2 1101 867 A 144 MET HE% A 144 MET HGy 1.0 . 3.5 1102 867 A 144 MET HGx A 144 MET HE% 1.0 . 3.5 1103 868 A 144 MET HE% A 128 ALA HB% 1.0 . 2.9 1104 869 A 144 MET HE% A 144 MET HBy 1.0 . 3.1 1105 869 A 144 MET HBx A 144 MET HE% 1.0 . 3.1 1106 870 A 73 ALA H A 72 MET HE% 1.0 . 3.7 1107 871 A 12 PHE HD% A 72 MET HE% 1.0 . 3.2 1108 872 A 161 LEU HDy% A 72 MET HE% 1.0 . 3.1 1109 873 A 72 MET HE% A 72 MET HBx 1.0 . 3.1 1110 873 A 72 MET HB3 A 72 MET HE% 1.0 . 3.1 1111 874 A 72 MET HE% A 72 MET HGx 1.0 . 3.6 1112 874 A 72 MET HE% A 72 MET HG3 1.0 . 3.6 1113 875 A 109 MET H A 108 VAL HGx% 1.0 . 4.0 1114 876 A 108 VAL HGx% A 39 LEU HDx% 1.0 . 3.2 1115 877 A 108 VAL HGx% A 159 ILE HD1% 1.0 . 3.2 1116 878 A 159 ILE HD1% A 159 ILE HG1x 1.0 . 2.9 1117 878 A 159 ILE HG1y A 159 ILE HD1% 1.0 . 2.9 1118 879 A 159 ILE HD1% A 105 LEU HDx% 1.0 . 2.6 1119 880 A 100 ILE HB A 100 ILE HD1% 1.0 . 3.4 1120 881 A 100 ILE HD1% A 141 PHE HD% 1.0 . 3.2 1121 882 A 100 ILE HD1% A 156 TRP HZ3 1.0 . 3.2 1122 883 A 125 ILE HD1% A 156 TRP HH2 1.0 . 3.8 1123 884 A 135 GLN HA A 125 ILE HD1% 1.0 . 3.6 1124 885 A 125 ILE HA A 125 ILE HD1% 1.0 . 3.0 1125 886 A 125 ILE HD1% A 125 ILE HG1x 1.0 . 2.6 1126 886 A 125 ILE HD1% A 125 ILE HG1y 1.0 . 2.6 1127 887 A 125 ILE HD1% A 128 ALA HB% 1.0 . 3.0 1128 888 A 130 ILE HD1% A 130 ILE HG1x 1.0 . 2.8 1129 888 A 130 ILE HG1y A 130 ILE HD1% 1.0 . 2.8 1130 889 A 130 ILE H A 130 ILE HD1% 1.0 . 3.6 1131 890 A 85 ILE HD1% A 85 ILE HG1y 1.0 . 2.8 1132 890 A 85 ILE HD1% A 85 ILE HG1x 1.0 . 2.8 1133 891 A 85 ILE HD1% A 85 ILE HB 1.0 . 3.1 1134 892 A 35 VAL HG1% A 32 LEU HA 1.0 . 3.5 1135 893 A 35 VAL HG1% A 35 VAL HA 1.0 . 3.4 1136 894 A 35 VAL HG1% A 35 VAL HB 1.0 . 3.0 1137 895 A 35 VAL HG1% A 162 ALA HB% 1.0 . 3.0 1138 896 A 35 VAL HG1% A 39 LEU HDy% 1.0 . 2.9 1139 897 A 35 VAL HG1% A 112 LEU HDy% 1.0 . 2.8 1140 898 A 142 VAL HGx% A 142 VAL HA 1.0 . 3.0 1141 899 A 142 VAL HGx% A 142 VAL HGy% 1.0 . 2.5 1142 900 A 131 ASP H A 130 ILE HG2% 1.0 . 3.7 1143 901 A 130 ILE H A 130 ILE HG2% 1.0 . 3.6 1144 902 A 69 LEU HDx% A 9 ILE HG2% 1.0 . 3.5 1145 903 A 9 ILE HG2% A 9 ILE HD1% 1.0 . 3.1 1146 904 A 9 ILE HG2% A 9 ILE HB 1.0 . 3.0 1147 905 A 9 ILE HG2% A 9 ILE HG1x 1.0 . 3.5 1148 905 A 9 ILE HG2% A 9 ILE HG1y 1.0 . 3.5 1149 906 A 9 ILE HG2% A 9 ILE HA 1.0 . 3.5 1150 907 A 10 ALA HA A 9 ILE HG2% 1.0 . 3.7 1151 908 A 12 PHE HD% A 9 ILE HG2% 1.0 . 3.6 1152 909 A 10 ALA H A 9 ILE HG2% 1.0 . 3.8 1153 910 A 74 ARG H A 73 ALA HB% 1.0 . 3.7 1154 911 A 73 ALA H A 73 ALA HB% 1.0 . 3.2 1155 912 A 46 ALA H A 46 ALA HB% 1.0 . 3.1 1156 913 A 69 LEU HDx% A 9 ILE HG2% 1.0 . 3.5 1157 914 A 9 ILE HG2% A 9 ILE HD1% 1.0 . 3.0 1158 915 A 9 ILE HG2% A 9 ILE HG1x 1.0 . 3.4 1159 915 A 9 ILE HG2% A 9 ILE HG1y 1.0 . 3.4 1160 916 A 9 ILE HG2% A 9 ILE HB 1.0 . 2.9 1161 917 A 9 ILE HG2% A 9 ILE HA 1.0 . 3.4 1162 918 A 12 PHE HD% A 9 ILE HG2% 1.0 . 3.5 1163 919 A 100 ILE HG2% A 125 ILE HD1% 1.0 . 3.2 1164 920 A 100 ILE HG2% A 105 LEU HDx% 1.0 . 3.2 1165 921 A 100 ILE HG2% A 105 LEU HBy 1.0 . 2.9 1166 921 A 100 ILE HG2% A 105 LEU HBx 1.0 . 2.9 1167 922 A 100 ILE HG2% A 105 LEU HBy 1.0 . 3.4 1168 922 A 100 ILE HG2% A 105 LEU HBx 1.0 . 3.4 1169 923 A 100 ILE HG2% A 136 VAL HB 1.0 . 3.1 1170 924 A 146 THR HG2% A 142 VAL HGy% 1.0 . 3.0 1171 925 A 55 VAL HGx% A 71 MET HE% 1.0 . 3.6 1172 926 A 55 VAL H A 55 VAL HGx% 1.0 . 3.5 1173 927 A 54 GLU H A 55 VAL HGx% 1.0 . 3.7 1174 928 A 71 MET H A 55 VAL HGx% 1.0 . 4.0 1175 929 A 163 VAL H A 163 VAL HGy% 1.0 . 3.6 1176 930 A 164 ARG H A 163 VAL HGy% 1.0 . 3.8 1177 931 A 88 ALA HB% A 163 VAL HGy% 1.0 . 3.0 1178 932 A 163 VAL HGy% A 163 VAL HGx% 1.0 . 2.6 1179 933 A 163 VAL HA A 163 VAL HGy% 1.0 . 3.1 1180 934 A 88 ALA HA A 163 VAL HGy% 1.0 . 3.6 1181 935 A 110 THR H A 110 THR HG2% 1.0 . 3.6 1182 936 A 111 ASN H A 110 THR HG2% 1.0 . 3.5 1183 937 A 117 THR HG2% A 117 THR HB 1.0 . 3.0 1184 938 A 35 VAL HG1% A 35 VAL HA 1.0 . 3.8 1185 939 A 35 VAL HG1% A 112 LEU HDy% 1.0 . 2.9 1186 940 A 108 VAL HGx% A 108 VAL HGy% 1.0 . 2.6 1187 941 A 108 VAL HGy% A 108 VAL HB 1.0 . 2.9 1188 942 A 108 VAL HGy% A 92 PHE HBy 1.0 . 3.4 1189 942 A 92 PHE HBx A 108 VAL HGy% 1.0 . 3.4 1190 943 A 108 VAL HA A 108 VAL HGy% 1.0 . 3.0 1191 944 A 105 LEU HA A 108 VAL HGy% 1.0 . 3.4 1192 945 A 35 VAL HG21 A 32 LEU HA 1.0 . 3.1 1193 946 A 35 VAL HG21 A 35 VAL HA 1.0 . 3.2 1194 947 A 35 VAL HG21 A 35 VAL HB 1.0 . 3.0 1195 948 A 112 LEU HDx% A 112 LEU HA 1.0 . 3.1 1196 949 A 39 LEU HA A 39 LEU HDx% 1.0 . 3.0 1197 950 A 91 VAL HGy% A 163 VAL HB 1.0 . 2.9 1198 951 A 91 VAL HGy% A 39 LEU HBy 1.0 . 3.2 1199 951 A 39 LEU HBx A 91 VAL HGy% 1.0 . 3.2 1200 952 A 88 ALA HA A 91 VAL HGy% 1.0 . 3.0 1201 953 A 91 VAL HGy% A 92 PHE HA 1.0 . 3.6 1202 954 A 91 VAL H A 91 VAL HGy% 1.0 . 3.0 1203 955 A 29 THR HG2% A 29 THR H 1.0 . 3.5 1204 956 A 29 THR HG2% A 49 GLN H 1.0 . 4.0 1205 957 A 29 THR HG2% A 29 THR HA 1.0 . 3.0 1206 958 A 29 THR HG2% A 29 THR HB 1.0 . 2.9 1207 959 A 29 THR HG2% A 48 LEU HBy 1.0 . 3.2 1208 959 A 29 THR HG2% A 48 LEU HBx 1.0 . 3.2 1209 960 A 52 ILE HB A 29 THR HG2% 1.0 . 3.5 1210 961 A 29 THR HG2% A 52 ILE HG1x 1.0 . 3.4 1211 961 A 29 THR HG2% A 52 ILE HG1y 1.0 . 3.4 1212 962 A 29 THR HG2% A 52 ILE HG1x 1.0 . 3.5 1213 962 A 29 THR HG2% A 52 ILE HG1y 1.0 . 3.5 1214 963 A 29 THR HG2% A 32 LEU HDy% 1.0 . 2.8 1215 964 A 29 THR HG2% A 52 ILE HD1% 1.0 . 2.8 1216 965 A 15 ALA HA A 18 LEU HDy% 1.0 . 3.1 1217 966 A 121 VAL HA A 116 LEU HDy% 1.0 . 4.0 1218 967 A 106 ARG HA A 116 LEU HDy% 1.0 . 4.1 1219 968 A 35 VAL HG1% A 39 LEU HDy% 1.0 . 3.5 1220 969 A 39 LEU HDy% A 163 VAL HGx% 1.0 . 3.5 1221 970 A 39 LEU H A 39 LEU HDy% 1.0 . 3.8 1222 971 A 48 LEU HDx% A 48 LEU HBy 1.0 . 3.4 1223 971 A 48 LEU HBx A 48 LEU HDx% 1.0 . 3.4 1224 972 A 45 GLU HA A 48 LEU HDx% 1.0 . 3.2 1225 973 A 136 VAL HGx% A 156 TRP HH2 1.0 . 3.2 1226 974 A 156 TRP HZ2 A 136 VAL HGx% 1.0 . 3.4 1227 975 A 146 THR HG2% A 146 THR HB 1.0 . 3.4 1228 976 A 146 THR HG2% A 146 THR HA 1.0 . 3.1 1229 977 A 26 THR HA A 26 THR HG2% 1.0 . 3.2 1230 978 A 62 THR HB A 26 THR HG2% 1.0 . 3.5 1231 979 A 26 THR HB A 26 THR HG2% 1.0 . 3.0 1232 980 A 146 THR HG2% A 142 VAL HGy% 1.0 . 3.0 1233 981 A 146 THR HG2% A 146 THR H 1.0 . 3.6 1234 982 A 26 THR H A 26 THR HG2% 1.0 . 3.6 1235 983 A 27 ILE H A 26 THR HG2% 1.0 . 4.0 1236 984 A 27 ILE HD1% A 63 ILE HG2% 1.0 . 3.5 1237 985 A 63 ILE HD1% A 63 ILE HG2% 1.0 . 2.9 1238 986 A 27 ILE HB A 63 ILE HG2% 1.0 . 3.4 1239 987 A 63 ILE HG2% A 63 ILE HB 1.0 . 3.0 1240 988 A 63 ILE HA A 63 ILE HG2% 1.0 . 3.5 1241 989 A 156 TRP HD1 A 152 ALA HB% 1.0 . 3.4 1242 990 A 162 ALA H A 162 ALA HB% 1.0 . 3.1 1243 991 A 35 VAL HG1% A 162 ALA HB% 1.0 . 3.5 1244 992 A 162 ALA HB% A 18 LEU HDy% 1.0 . 2.9 1245 993 A 162 ALA HB% A 112 LEU HDx% 1.0 . 2.8 1246 994 A 162 ALA HB% A 18 LEU HDx% 1.0 . 2.9 1247 995 A 162 ALA HA A 162 ALA HB% 1.0 . 2.9 1248 996 A 85 ILE HD1% A 85 ILE HG2% 1.0 . 2.9 1249 997 A 142 VAL HA A 85 ILE HG2% 1.0 . 3.4 1250 998 A 55 VAL HGy% A 55 VAL HB 1.0 . 2.9 1251 999 A 52 ILE HA A 55 VAL HGy% 1.0 . 3.5 1252 1000 A 55 VAL HGy% A 63 ILE HG2% 1.0 . 3.2 1253 1001 A 52 ILE HD1% A 55 VAL HGy% 1.0 . 3.1 1254 1002 A 55 VAL HGy% A 56 ASP H 1.0 . 3.4 1255 1003 A 86 ARG H A 85 ILE HG2% 1.0 . 3.8 1256 1004 A 99 TYR HE% A 137 ASN HBx 1.0 . 3.8 1257 1004 A 137 ASN HB3 A 99 TYR HE% 1.0 . 3.8 1258 1005 A 138 TYR HD% A 138 TYR H 1.0 . 4.6 1259 1006 A 139 GLU H A 138 TYR HD% 1.0 . 4.8 1260 1007 A 141 PHE HD% A 138 TYR HD% 1.0 . 4.8 1261 1008 A 138 TYR HD% A 138 TYR HE% 1.0 . 3.2 1262 1009 A 138 TYR HD% A 86 ARG HA 1.0 . 5.0 1263 1010 A 139 GLU HA A 138 TYR HD% 1.0 . 5.0 1264 1011 A 138 TYR HA A 138 TYR HD% 1.0 . 3.8 1265 1012 A 138 TYR HD% A 89 PHE HBy 1.0 . 4.4 1266 1012 A 89 PHE HBx A 138 TYR HD% 1.0 . 4.4 1267 1013 A 138 TYR HD% A 138 TYR HBy 1.0 . 4.0 1268 1013 A 138 TYR HD% A 138 TYR HBx 1.0 . 4.0 1269 1014 A 138 TYR HD% A 138 TYR HBy 1.0 . 4.0 1270 1014 A 138 TYR HD% A 138 TYR HBx 1.0 . 4.0 1271 1015 A 138 TYR HD% A 85 ILE HG2% 1.0 . 5.0 1272 1016 A 142 VAL HGx% A 138 TYR HD% 1.0 . 4.7 1273 1017 A 16 PHE HD% A 16 PHE HBy 1.0 . 4.2 1274 1017 A 16 PHE HBx A 16 PHE HD% 1.0 . 4.2 1275 1018 A 68 PHE H A 68 PHE HD% 1.0 . 4.9 1276 1019 A 16 PHE HD% A 16 PHE HBy 1.0 . 4.3 1277 1019 A 16 PHE HBx A 16 PHE HD% 1.0 . 4.3 1278 1020 A 68 PHE HD% A 68 PHE HBx 1.0 . 4.7 1279 1020 A 68 PHE HB3 A 68 PHE HD% 1.0 . 4.7 1280 1021 A 68 PHE HA A 68 PHE HD% 1.0 . 4.1 1281 1022 A 68 PHE HD% A 71 MET HBy 1.0 . 4.3 1282 1022 A 71 MET HBx A 68 PHE HD% 1.0 . 4.3 1283 1023 A 15 ALA HB% A 68 PHE HD% 1.0 . 4.8 1284 1024 A 68 PHE HD% A 63 ILE HG2% 1.0 . 5.0 1285 1025 A 27 ILE HD1% A 16 PHE HE% 1.0 . 5.0 1286 1026 A 63 ILE HG2% A 16 PHE HE% 1.0 . 4.9 1287 1027 A 16 PHE HE% A 68 PHE HBx 1.0 . 4.9 1288 1027 A 68 PHE HB3 A 16 PHE HE% 1.0 . 4.9 1289 1028 A 138 TYR HD% A 138 TYR HBy 1.0 . 4.2 1290 1028 A 138 TYR HD% A 138 TYR HBx 1.0 . 4.2 1291 1029 A 138 TYR HD% A 138 TYR HBy 1.0 . 4.2 1292 1029 A 138 TYR HD% A 138 TYR HBx 1.0 . 4.2 1293 1030 A 138 TYR HD% A 89 PHE HBy 1.0 . 4.8 1294 1030 A 89 PHE HBx A 138 TYR HD% 1.0 . 4.8 1295 1031 A 138 TYR HA A 138 TYR HD% 1.0 . 4.2 1296 1032 A 138 TYR HD% A 138 TYR HE% 1.0 . 3.5 1297 1033 A 141 PHE HD% A 138 TYR HD% 1.0 . 5.0 1298 1034 A 142 VAL HGx% A 138 TYR HD% 1.0 . 5.0 1299 1035 A 139 GLU H A 138 TYR HD% 1.0 . 5.0 1300 1036 A 138 TYR HD% A 138 TYR H 1.0 . 4.9 1301 1037 A 141 PHE HD% A 141 PHE HE% 1.0 . 4.1 1302 1038 A 141 PHE HA A 141 PHE HD% 1.0 . 4.7 1303 1039 A 141 PHE HD% A 144 MET HE% 1.0 . 4.8 1304 1040 A 141 PHE HD% A 144 MET HBy 1.0 . 5.0 1305 1040 A 144 MET HBx A 141 PHE HD% 1.0 . 5.0 1306 1041 A 136 VAL HGx% A 141 PHE HD% 1.0 . 4.7 1307 1042 A 141 PHE HD% A 85 ILE HG2% 1.0 . 4.4 1308 1043 A 100 ILE HD1% A 141 PHE HD% 1.0 . 4.8 1309 1044 A 141 PHE HE% A 85 ILE HG2% 1.0 . 5.0 1310 1045 A 141 PHE HE% A 88 ALA HB% 1.0 . 5.0 1311 1046 A 85 ILE HA A 141 PHE HE% 1.0 . 5.0 1312 1047 A 141 PHE HD% A 141 PHE HE% 1.0 . 4.3 1313 1048 A 17 SER H A 16 PHE HD% 1.0 . 5.0 1314 1049 A 13 LYS H A 12 PHE HD% 1.0 . 5.0 1315 1050 A 12 PHE H A 12 PHE HD% 1.0 . 4.9 1316 1051 A 12 PHE HE% A 12 PHE HD% 1.0 . 4.3 1317 1052 A 12 PHE HA A 12 PHE HD% 1.0 . 4.2 1318 1053 A 12 PHE HD% A 9 ILE HA 1.0 . 4.7 1319 1054 A 12 PHE HD% A 12 PHE HBx 1.0 . 4.1 1320 1054 A 12 PHE HD% A 12 PHE HB3 1.0 . 4.1 1321 1055 A 15 ALA HB% A 12 PHE HD% 1.0 . 3.8 1322 1056 A 12 PHE HD% A 72 MET HBx 1.0 . 4.6 1323 1056 A 72 MET HB3 A 12 PHE HD% 1.0 . 4.6 1324 1057 A 161 LEU HDy% A 12 PHE HD% 1.0 . 4.2 1325 1058 A 69 LEU HDx% A 12 PHE HD% 1.0 . 4.0 1326 1059 A 156 TRP HZ2 A 128 ALA HB% 1.0 . 4.2 1327 1060 A 156 TRP HE1 A 156 TRP HZ2 1.0 . 5.0 1328 1061 A 156 TRP HE3 A 144 MET HE% 1.0 . 5.0 1329 1062 A 156 TRP HZ3 A 128 ALA HB% 1.0 . 5.0 1330 1063 A 156 TRP HZ3 A 105 LEU HDy% 1.0 . 5.0 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 undefined _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 20 ASP OD1 A 22 ASP OD2 1.0 . 3.5 2 2 A 20 ASP OD1 A 26 THR O 1.0 . 3.5 3 3 A 22 ASP OD2 A 24 ASP OD1 1.0 . 3.5 4 4 A 26 THR O A 24 ASP OD2 1.0 . 3.5 5 5 A 26 THR O A 31 GLU OE1 1.0 . 3.5 6 6 A 22 ASP OD2 A 31 GLU OE2 1.0 . 3.5 7 7 A 56 ASP OD1 A 58 ASP OD2 1.0 . 3.5 8 8 A 56 ASP OD1 A 62 THR O 1.0 . 3.5 9 9 A 58 ASP OD2 A 60 ASN OD1 1.0 . 3.5 10 10 A 60 ASN OD1 A 62 THR O 1.0 . 3.5 11 11 A 62 THR O A 67 GLU OE1 1.0 . 3.5 12 12 A 58 ASP OD2 A 67 GLU OE2 1.0 . 3.5 13 13 A 93 ASP OD1 A 95 ASP OD2 1.0 . 3.5 14 14 A 93 ASP OD1 A 99 TYR O 1.0 . 3.5 15 15 A 95 ASP OD2 A 97 ASN OD1 1.0 . 3.5 16 16 A 97 ASN OD1 A 99 TYR O 1.0 . 3.5 17 17 A 99 TYR O A 104 GLU OE1 1.0 . 3.5 18 18 A 95 ASP OD2 A 104 GLU OE2 1.0 . 3.5 19 19 A 129 ASP OD1 A 131 ASP OD2 1.0 . 3.5 20 20 A 129 ASP OD1 A 135 GLN O 1.0 . 3.5 21 21 A 131 ASP OD2 A 133 ASP OD1 1.0 . 3.5 22 22 A 135 GLN O A 133 ASP OD2 1.0 . 3.5 23 23 A 135 GLN O A 140 GLU OE1 1.0 . 3.5 24 24 A 131 ASP OD2 A 140 GLU OE2 1.0 . 3.5 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 13 LYS H A 9 ILE O 1.0 . 2.0 2 2 A 9 ILE O A 13 LYS N 1.0 . 3.0 3 3 A 14 GLU H A 10 ALA O 1.0 . 2.0 4 4 A 10 ALA O A 14 GLU N 1.0 . 3.0 5 5 A 15 ALA H A 11 GLU O 1.0 . 2.0 6 6 A 11 GLU O A 15 ALA N 1.0 . 3.0 7 7 A 16 PHE H A 12 PHE O 1.0 . 2.0 8 8 A 12 PHE O A 16 PHE N 1.0 . 3.0 9 9 A 17 SER H A 13 LYS O 1.0 . 2.0 10 10 A 13 LYS O A 17 SER N 1.0 . 3.0 11 11 A 18 LEU H A 14 GLU O 1.0 . 2.0 12 12 A 14 GLU O A 18 LEU N 1.0 . 3.0 13 13 A 33 GLY H A 29 THR O 1.0 . 2.0 14 14 A 29 THR O A 33 GLY N 1.0 . 3.0 15 15 A 34 THR H A 30 LYS O 1.0 . 2.0 16 16 A 30 LYS O A 34 THR N 1.0 . 3.0 17 17 A 35 VAL H A 31 GLU O 1.0 . 2.0 18 18 A 31 GLU O A 35 VAL N 1.0 . 3.0 19 19 A 36 MET H A 32 LEU O 1.0 . 2.0 20 20 A 32 LEU O A 36 MET N 1.0 . 3.0 21 21 A 33 GLY O A 37 ARG H 1.0 . 2.0 22 22 A 33 GLY O A 37 ARG N 1.0 . 3.0 23 23 A 34 THR O A 38 SER H 1.0 . 2.0 24 24 A 34 THR O A 38 SER N 1.0 . 3.0 25 25 A 49 GLN H A 45 GLU O 1.0 . 2.0 26 26 A 45 GLU O A 49 GLN N 1.0 . 3.0 27 27 A 50 ASP H A 46 ALA O 1.0 . 2.0 28 28 A 46 ALA O A 50 ASP N 1.0 . 3.0 29 29 A 51 MET H A 47 GLU O 1.0 . 2.0 30 30 A 47 GLU O A 51 MET N 1.0 . 3.0 31 31 A 52 ILE H A 48 LEU O 1.0 . 2.0 32 32 A 48 LEU O A 52 ILE N 1.0 . 3.0 33 33 A 53 ASN H A 49 GLN O 1.0 . 2.0 34 34 A 49 GLN O A 53 ASN N 1.0 . 3.0 35 35 A 54 GLU H A 50 ASP O 1.0 . 2.0 36 36 A 50 ASP O A 54 GLU N 1.0 . 3.0 37 37 A 55 VAL H A 51 MET O 1.0 . 2.0 38 38 A 51 MET O A 55 VAL N 1.0 . 3.0 39 39 A 71 MET H A 67 GLU O 1.0 . 2.0 40 40 A 67 GLU O A 71 MET N 1.0 . 3.0 41 41 A 72 MET H A 68 PHE O 1.0 . 2.0 42 42 A 68 PHE O A 72 MET N 1.0 . 3.0 43 43 A 73 ALA H A 69 LEU O 1.0 . 2.0 44 44 A 69 LEU O A 73 ALA N 1.0 . 3.0 45 45 A 85 ILE H A 81 SER O 1.0 . 2.0 46 46 A 81 SER O A 85 ILE N 1.0 . 3.0 47 47 A 86 ARG H A 82 GLU O 1.0 . 2.0 48 48 A 82 GLU O A 86 ARG N 1.0 . 3.0 49 49 A 87 GLU H A 83 GLU O 1.0 . 2.0 50 50 A 83 GLU O A 87 GLU N 1.0 . 3.0 51 51 A 88 ALA H A 84 GLU O 1.0 . 2.0 52 52 A 84 GLU O A 88 ALA N 1.0 . 3.0 53 53 A 88 ALA H A 85 ILE O 1.0 . 2.0 54 54 A 88 ALA N A 85 ILE O 1.0 . 3.0 55 55 A 90 ARG H A 86 ARG O 1.0 . 2.0 56 56 A 86 ARG O A 90 ARG N 1.0 . 3.0 57 57 A 91 VAL H A 87 GLU O 1.0 . 2.0 58 58 A 87 GLU O A 91 VAL N 1.0 . 3.0 59 59 A 92 PHE H A 88 ALA O 1.0 . 2.0 60 60 A 88 ALA O A 92 PHE N 1.0 . 3.0 61 61 A 106 ARG H A 102 ALA O 1.0 . 2.0 62 62 A 102 ALA O A 106 ARG N 1.0 . 3.0 63 63 A 107 HIS H A 103 ALA O 1.0 . 2.0 64 64 A 103 ALA O A 107 HIS N 1.0 . 3.0 65 65 A 108 VAL H A 104 GLU O 1.0 . 2.0 66 66 A 104 GLU O A 108 VAL N 1.0 . 3.0 67 67 A 109 MET H A 105 LEU O 1.0 . 2.0 68 68 A 105 LEU O A 109 MET N 1.0 . 3.0 69 69 A 110 THR H A 106 ARG O 1.0 . 2.0 70 70 A 106 ARG O A 110 THR N 1.0 . 3.0 71 71 A 111 ASN H A 107 HIS O 1.0 . 2.0 72 72 A 107 HIS O A 111 ASN N 1.0 . 3.0 73 73 A 122 ASP H A 118 ASP O 1.0 . 2.0 74 74 A 118 ASP O A 122 ASP N 1.0 . 3.0 75 75 A 123 GLU H A 119 GLU O 1.0 . 2.0 76 76 A 119 GLU O A 123 GLU N 1.0 . 3.0 77 77 A 120 GLU O A 124 MET H 1.0 . 2.0 78 78 A 120 GLU O A 124 MET N 1.0 . 3.0 79 79 A 121 VAL O A 125 ILE H 1.0 . 2.0 80 80 A 121 VAL O A 125 ILE N 1.0 . 3.0 81 81 A 126 ARG H A 122 ASP O 1.0 . 2.0 82 82 A 122 ASP O A 126 ARG N 1.0 . 3.0 83 83 A 123 GLU O A 127 GLU H 1.0 . 2.0 84 84 A 123 GLU O A 127 GLU N 1.0 . 3.0 85 85 A 128 ALA H A 124 MET O 1.0 . 2.0 86 86 A 124 MET O A 128 ALA N 1.0 . 3.0 87 87 A 142 VAL H A 138 TYR O 1.0 . 2.0 88 88 A 138 TYR O A 142 VAL N 1.0 . 3.0 89 89 A 63 ILE H A 27 ILE O 1.0 . 2.0 90 90 A 27 ILE O A 63 ILE N 1.0 . 3.0 91 91 A 27 ILE H A 63 ILE O 1.0 . 2.0 92 92 A 63 ILE O A 27 ILE N 1.0 . 3.0 93 93 A 100 ILE H A 136 VAL O 1.0 . 2.0 94 94 A 136 VAL O A 100 ILE N 1.0 . 3.0 95 95 A 136 VAL H A 100 ILE O 1.0 . 2.0 96 96 A 100 ILE O A 136 VAL N 1.0 . 3.0 97 97 A 157 ARG H A 153 GLY O 1.0 . 2.0 98 98 A 153 GLY O A 157 ARG N 1.0 . 3.0 99 99 A 158 LYS H A 154 SER O 1.0 . 2.0 100 100 A 154 SER O A 158 LYS N 1.0 . 3.0 101 101 A 159 ILE H A 155 GLY O 1.0 . 2.0 102 102 A 155 GLY O A 159 ILE N 1.0 . 3.0 103 103 A 160 LYS H A 156 TRP O 1.0 . 2.0 104 104 A 156 TRP O A 160 LYS N 1.0 . 3.0 105 105 A 157 ARG O A 161 LEU H 1.0 . 2.0 106 106 A 157 ARG O A 161 LEU N 1.0 . 3.0 107 107 A 162 ALA H A 158 LYS O 1.0 . 2.0 108 108 A 158 LYS O A 162 ALA N 1.0 . 3.0 109 109 A 163 VAL H A 159 ILE O 1.0 . 2.0 110 110 A 159 ILE O A 163 VAL N 1.0 . 3.0 111 111 A 164 ARG H A 160 LYS O 1.0 . 2.0 112 112 A 160 LYS O A 164 ARG N 1.0 . 3.0 113 113 A 165 GLY H A 161 LEU O 1.0 . 2.0 114 114 A 161 LEU O A 165 GLY N 1.0 . 3.0 115 115 A 166 ALA H A 162 ALA O 1.0 . 2.0 116 116 A 162 ALA O A 166 ALA N 1.0 . 3.0 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 7 GLU C A 8 GLN N A 8 GLN CA A 8 GLN C 1.0 -90.0 -40.0 PHI 2 2 A 8 GLN N A 8 GLN CA A 8 GLN C A 9 ILE N 1.0 -70.0 -20.0 PSI 3 3 A 8 GLN C A 9 ILE N A 9 ILE CA A 9 ILE C 1.0 -90.0 -40.0 PHI 4 4 A 9 ILE N A 9 ILE CA A 9 ILE C A 10 ALA N 1.0 -70.0 -20.0 PSI 5 5 A 9 ILE C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -90.0 -40.0 PHI 6 6 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 GLU N 1.0 -70.0 -10.0 PSI 7 7 A 10 ALA C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -90.0 -40.0 PHI 8 8 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 PHE N 1.0 -70.0 -20.0 PSI 9 9 A 11 GLU C A 12 PHE N A 12 PHE CA A 12 PHE C 1.0 -90.0 -40.0 PHI 10 10 A 12 PHE N A 12 PHE CA A 12 PHE C A 13 LYS N 1.0 -70.0 -10.0 PSI 11 11 A 12 PHE C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -90.0 -40.0 PHI 12 12 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 GLU N 1.0 -70.0 -20.0 PSI 13 13 A 13 LYS C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -90.0 -40.0 PHI 14 14 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 ALA N 1.0 -70.0 -10.0 PSI 15 15 A 14 GLU C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -90.0 -40.0 PHI 16 16 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 PHE N 1.0 -70.0 -10.0 PSI 17 17 A 15 ALA C A 16 PHE N A 16 PHE CA A 16 PHE C 1.0 -90.0 -40.0 PHI 18 18 A 16 PHE N A 16 PHE CA A 16 PHE C A 17 SER N 1.0 -70.0 -20.0 PSI 19 19 A 16 PHE C A 17 SER N A 17 SER CA A 17 SER C 1.0 -80.0 -40.0 PHI 20 20 A 17 SER N A 17 SER CA A 17 SER C A 18 LEU N 1.0 -50.0 0.0 PSI 21 21 A 17 SER C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -90.0 -40.0 PHI 22 22 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 PHE N 1.0 -70.0 -10.0 PSI 23 23 A 18 LEU C A 19 PHE N A 19 PHE CA A 19 PHE C 1.0 -100.0 -50.0 PHI 24 24 A 19 PHE N A 19 PHE CA A 19 PHE C A 20 ASP N 1.0 -70.0 0.0 PSI 25 25 A 20 ASP C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -90.0 -30.0 PHI 26 26 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 ASP N 1.0 -70.0 0.0 PSI 27 27 A 21 LYS C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -120.0 -70.0 PHI 28 28 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 GLY N 1.0 -20.0 30.0 PSI 29 29 A 22 ASP C A 23 GLY N A 23 GLY CA A 23 GLY C 1.0 40.0 80.0 PHI 30 30 A 23 GLY N A 23 GLY CA A 23 GLY C A 24 ASP N 1.0 10.0 50.0 PSI 31 31 A 23 GLY C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -120.0 -70.0 PHI 32 32 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 GLY N 1.0 -20.0 30.0 PSI 33 33 A 24 ASP C A 25 GLY N A 25 GLY CA A 25 GLY C 1.0 60.0 110.0 PHI 34 34 A 25 GLY N A 25 GLY CA A 25 GLY C A 26 THR N 1.0 -30.0 30.0 PSI 35 35 A 25 GLY C A 26 THR N A 26 THR CA A 26 THR C 1.0 -170.0 -110.0 PHI 36 36 A 26 THR N A 26 THR CA A 26 THR C A 27 ILE N 1.0 130.0 180.0 PSI 37 37 A 26 THR C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -140.0 -80.0 PHI 38 38 A 27 ILE N A 27 ILE CA A 27 ILE C A 28 THR N 1.0 100.0 150.0 PSI 39 39 A 27 ILE C A 28 THR N A 28 THR CA A 28 THR C 1.0 -100.0 -70.0 PHI 40 40 A 28 THR N A 28 THR CA A 28 THR C A 29 THR N 1.0 150.0 180.0 PSI 41 41 A 28 THR C A 29 THR N A 29 THR CA A 29 THR C 1.0 -90.0 -40.0 PHI 42 42 A 29 THR N A 29 THR CA A 29 THR C A 30 LYS N 1.0 -70.0 -10.0 PSI 43 43 A 29 THR C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -90.0 -40.0 PHI 44 44 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 GLU N 1.0 -70.0 -20.0 PSI 45 45 A 30 LYS C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -90.0 -40.0 PHI 46 46 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 LEU N 1.0 -70.0 -20.0 PSI 47 47 A 31 GLU C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -90.0 -40.0 PHI 48 48 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 GLY N 1.0 -70.0 -20.0 PSI 49 49 A 32 LEU C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 -80.0 -40.0 PHI 50 50 A 33 GLY N A 33 GLY CA A 33 GLY C A 34 THR N 1.0 -70.0 -20.0 PSI 51 51 A 33 GLY C A 34 THR N A 34 THR CA A 34 THR C 1.0 -80.0 -40.0 PHI 52 52 A 34 THR N A 34 THR CA A 34 THR C A 35 VAL N 1.0 -70.0 -20.0 PSI 53 53 A 34 THR C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -90.0 -40.0 PHI 54 54 A 35 VAL N A 35 VAL CA A 35 VAL C A 36 MET N 1.0 -70.0 -20.0 PSI 55 55 A 35 VAL C A 36 MET N A 36 MET CA A 36 MET C 1.0 -90.0 -40.0 PHI 56 56 A 36 MET N A 36 MET CA A 36 MET C A 37 ARG N 1.0 -70.0 -20.0 PSI 57 57 A 36 MET C A 37 ARG N A 37 ARG CA A 37 ARG C 1.0 -90.0 -40.0 PHI 58 58 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 SER N 1.0 -60.0 -10.0 PSI 59 59 A 37 ARG C A 38 SER N A 38 SER CA A 38 SER C 1.0 -90.0 -40.0 PHI 60 60 A 38 SER N A 38 SER CA A 38 SER C A 39 LEU N 1.0 -40.0 0.0 PSI 61 61 A 38 SER C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -120.0 -70.0 PHI 62 62 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 GLY N 1.0 -20.0 20.0 PSI 63 63 A 39 LEU C A 40 GLY N A 40 GLY CA A 40 GLY C 1.0 60.0 110.0 PHI 64 64 A 40 GLY N A 40 GLY CA A 40 GLY C A 41 GLN N 1.0 -30.0 30.0 PSI 65 65 A 40 GLY C A 41 GLN N A 41 GLN CA A 41 GLN C 1.0 -160.0 -50.0 PHI 66 66 A 41 GLN N A 41 GLN CA A 41 GLN C A 42 ASN N 1.0 100.0 190.0 PSI 67 67 A 41 GLN C A 42 ASN N A 42 ASN CA A 42 ASN C 1.0 -160.0 -40.0 PHI 68 68 A 42 ASN N A 42 ASN CA A 42 ASN C A 43 PRO N 1.0 50.0 170.0 PSI 69 69 A 43 PRO N A 43 PRO CA A 43 PRO C A 44 THR N 1.0 130.0 180.0 PSI 70 70 A 43 PRO C A 44 THR N A 44 THR CA A 44 THR C 1.0 -110.0 -60.0 PHI 71 71 A 44 THR N A 44 THR CA A 44 THR C A 45 GLU N 1.0 150.0 180.0 PSI 72 72 A 44 THR C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -80.0 -40.0 PHI 73 73 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 ALA N 1.0 -70.0 -10.0 PSI 74 74 A 45 GLU C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -80.0 -40.0 PHI 75 75 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 GLU N 1.0 -70.0 -20.0 PSI 76 76 A 46 ALA C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -90.0 -40.0 PHI 77 77 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 LEU N 1.0 -70.0 -20.0 PSI 78 78 A 47 GLU C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -80.0 -40.0 PHI 79 79 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 GLN N 1.0 -70.0 -20.0 PSI 80 80 A 48 LEU C A 49 GLN N A 49 GLN CA A 49 GLN C 1.0 -90.0 -40.0 PHI 81 81 A 49 GLN N A 49 GLN CA A 49 GLN C A 50 ASP N 1.0 -70.0 -20.0 PSI 82 82 A 49 GLN C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -90.0 -40.0 PHI 83 83 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 MET N 1.0 -70.0 -20.0 PSI 84 84 A 50 ASP C A 51 MET N A 51 MET CA A 51 MET C 1.0 -90.0 -40.0 PHI 85 85 A 51 MET N A 51 MET CA A 51 MET C A 52 ILE N 1.0 -70.0 -20.0 PSI 86 86 A 51 MET C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -90.0 -40.0 PHI 87 87 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 ASN N 1.0 -70.0 -20.0 PSI 88 88 A 52 ILE C A 53 ASN N A 53 ASN CA A 53 ASN C 1.0 -90.0 -40.0 PHI 89 89 A 53 ASN N A 53 ASN CA A 53 ASN C A 54 GLU N 1.0 -70.0 -10.0 PSI 90 90 A 53 ASN C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -90.0 -40.0 PHI 91 91 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 VAL N 1.0 -60.0 0.0 PSI 92 92 A 54 GLU C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -130.0 -70.0 PHI 93 93 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 ASP N 1.0 -30.0 30.0 PSI 94 94 A 56 ASP C A 57 ALA N A 57 ALA CA A 57 ALA C 1.0 -90.0 -40.0 PHI 95 95 A 57 ALA N A 57 ALA CA A 57 ALA C A 58 ASP N 1.0 -50.0 0.0 PSI 96 96 A 57 ALA C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -120.0 -60.0 PHI 97 97 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 GLY N 1.0 -40.0 30.0 PSI 98 98 A 58 ASP C A 59 GLY N A 59 GLY CA A 59 GLY C 1.0 60.0 110.0 PHI 99 99 A 59 GLY N A 59 GLY CA A 59 GLY C A 60 ASN N 1.0 -30.0 50.0 PSI 100 100 A 59 GLY C A 60 ASN N A 60 ASN CA A 60 ASN C 1.0 -120.0 -70.0 PHI 101 101 A 60 ASN N A 60 ASN CA A 60 ASN C A 61 GLY N 1.0 -20.0 30.0 PSI 102 102 A 60 ASN C A 61 GLY N A 61 GLY CA A 61 GLY C 1.0 60.0 110.0 PHI 103 103 A 61 GLY N A 61 GLY CA A 61 GLY C A 62 THR N 1.0 -30.0 30.0 PSI 104 104 A 61 GLY C A 62 THR N A 62 THR CA A 62 THR C 1.0 -160.0 -110.0 PHI 105 105 A 62 THR N A 62 THR CA A 62 THR C A 63 ILE N 1.0 130.0 180.0 PSI 106 106 A 62 THR C A 63 ILE N A 63 ILE CA A 63 ILE C 1.0 -140.0 -80.0 PHI 107 107 A 63 ILE N A 63 ILE CA A 63 ILE C A 64 ASP N 1.0 100.0 150.0 PSI 108 108 A 63 ILE C A 64 ASP N A 64 ASP CA A 64 ASP C 1.0 -110.0 -70.0 PHI 109 109 A 64 ASP N A 64 ASP CA A 64 ASP C A 65 PHE N 1.0 150.0 190.0 PSI 110 110 A 64 ASP C A 65 PHE N A 65 PHE CA A 65 PHE C 1.0 -80.0 -40.0 PHI 111 111 A 65 PHE N A 65 PHE CA A 65 PHE C A 66 PRO N 1.0 -70.0 -20.0 PSI 112 112 A 66 PRO N A 66 PRO CA A 66 PRO C A 67 GLU N 1.0 -60.0 -10.0 PSI 113 113 A 66 PRO C A 67 GLU N A 67 GLU CA A 67 GLU C 1.0 -90.0 -40.0 PHI 114 114 A 67 GLU N A 67 GLU CA A 67 GLU C A 68 PHE N 1.0 -70.0 -10.0 PSI 115 115 A 67 GLU C A 68 PHE N A 68 PHE CA A 68 PHE C 1.0 -90.0 -40.0 PHI 116 116 A 68 PHE N A 68 PHE CA A 68 PHE C A 69 LEU N 1.0 -70.0 -20.0 PSI 117 117 A 68 PHE C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -90.0 -40.0 PHI 118 118 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 THR N 1.0 -70.0 -20.0 PSI 119 119 A 69 LEU C A 70 THR N A 70 THR CA A 70 THR C 1.0 -90.0 -40.0 PHI 120 120 A 70 THR N A 70 THR CA A 70 THR C A 71 MET N 1.0 -70.0 -20.0 PSI 121 121 A 70 THR C A 71 MET N A 71 MET CA A 71 MET C 1.0 -90.0 -40.0 PHI 122 122 A 71 MET N A 71 MET CA A 71 MET C A 72 MET N 1.0 -70.0 -20.0 PSI 123 123 A 71 MET C A 72 MET N A 72 MET CA A 72 MET C 1.0 -90.0 -40.0 PHI 124 124 A 72 MET N A 72 MET CA A 72 MET C A 73 ALA N 1.0 -70.0 -20.0 PSI 125 125 A 72 MET C A 73 ALA N A 73 ALA CA A 73 ALA C 1.0 -90.0 -40.0 PHI 126 126 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 ARG N 1.0 -70.0 -20.0 PSI 127 127 A 73 ALA C A 74 ARG N A 74 ARG CA A 74 ARG C 1.0 -90.0 -40.0 PHI 128 128 A 74 ARG N A 74 ARG CA A 74 ARG C A 75 LYS N 1.0 -70.0 -20.0 PSI 129 129 A 74 ARG C A 75 LYS N A 75 LYS CA A 75 LYS C 1.0 -90.0 -40.0 PHI 130 130 A 75 LYS N A 75 LYS CA A 75 LYS C A 76 MET N 1.0 -70.0 0.0 PSI 131 131 A 75 LYS C A 76 MET N A 76 MET CA A 76 MET C 1.0 -90.0 -40.0 PHI 132 132 A 76 MET N A 76 MET CA A 76 MET C A 77 LYS N 1.0 -60.0 0.0 PSI 133 133 A 76 MET C A 77 LYS N A 77 LYS CA A 77 LYS C 1.0 -100.0 -40.0 PHI 134 134 A 77 LYS N A 77 LYS CA A 77 LYS C A 78 ASP N 1.0 -60.0 10.0 PSI 135 135 A 78 ASP C A 79 THR N A 79 THR CA A 79 THR C 1.0 -110.0 -40.0 PHI 136 136 A 79 THR N A 79 THR CA A 79 THR C A 80 ASP N 1.0 -70.0 10.0 PSI 137 137 A 80 ASP C A 81 SER N A 81 SER CA A 81 SER C 1.0 -100.0 -30.0 PHI 138 138 A 81 SER N A 81 SER CA A 81 SER C A 82 GLU N 1.0 -70.0 10.0 PSI 139 139 A 81 SER C A 82 GLU N A 82 GLU CA A 82 GLU C 1.0 -80.0 -40.0 PHI 140 140 A 82 GLU N A 82 GLU CA A 82 GLU C A 83 GLU N 1.0 -60.0 -10.0 PSI 141 141 A 82 GLU C A 83 GLU N A 83 GLU CA A 83 GLU C 1.0 -90.0 -40.0 PHI 142 142 A 83 GLU N A 83 GLU CA A 83 GLU C A 84 GLU N 1.0 -60.0 -20.0 PSI 143 143 A 83 GLU C A 84 GLU N A 84 GLU CA A 84 GLU C 1.0 -90.0 -40.0 PHI 144 144 A 84 GLU N A 84 GLU CA A 84 GLU C A 85 ILE N 1.0 -70.0 -20.0 PSI 145 145 A 84 GLU C A 85 ILE N A 85 ILE CA A 85 ILE C 1.0 -90.0 -40.0 PHI 146 146 A 85 ILE N A 85 ILE CA A 85 ILE C A 86 ARG N 1.0 -70.0 -20.0 PSI 147 147 A 85 ILE C A 86 ARG N A 86 ARG CA A 86 ARG C 1.0 -90.0 -40.0 PHI 148 148 A 86 ARG N A 86 ARG CA A 86 ARG C A 87 GLU N 1.0 -70.0 -10.0 PSI 149 149 A 86 ARG C A 87 GLU N A 87 GLU CA A 87 GLU C 1.0 -90.0 -40.0 PHI 150 150 A 87 GLU N A 87 GLU CA A 87 GLU C A 88 ALA N 1.0 -70.0 -20.0 PSI 151 151 A 87 GLU C A 88 ALA N A 88 ALA CA A 88 ALA C 1.0 -90.0 -40.0 PHI 152 152 A 88 ALA N A 88 ALA CA A 88 ALA C A 89 PHE N 1.0 -60.0 -20.0 PSI 153 153 A 88 ALA C A 89 PHE N A 89 PHE CA A 89 PHE C 1.0 -80.0 -40.0 PHI 154 154 A 89 PHE N A 89 PHE CA A 89 PHE C A 90 ARG N 1.0 -70.0 -20.0 PSI 155 155 A 89 PHE C A 90 ARG N A 90 ARG CA A 90 ARG C 1.0 -90.0 -40.0 PHI 156 156 A 90 ARG N A 90 ARG CA A 90 ARG C A 91 VAL N 1.0 -60.0 0.0 PSI 157 157 A 90 ARG C A 91 VAL N A 91 VAL CA A 91 VAL C 1.0 -90.0 -40.0 PHI 158 158 A 91 VAL N A 91 VAL CA A 91 VAL C A 92 PHE N 1.0 -70.0 -10.0 PSI 159 159 A 91 VAL C A 92 PHE N A 92 PHE CA A 92 PHE C 1.0 -90.0 -40.0 PHI 160 160 A 92 PHE N A 92 PHE CA A 92 PHE C A 93 ASP N 1.0 -60.0 -10.0 PSI 161 161 A 92 PHE C A 93 ASP N A 93 ASP CA A 93 ASP C 1.0 -100.0 -60.0 PHI 162 162 A 93 ASP N A 93 ASP CA A 93 ASP C A 94 LYS N 1.0 50.0 90.0 PSI 163 163 A 93 ASP C A 94 LYS N A 94 LYS CA A 94 LYS C 1.0 -80.0 -30.0 PHI 164 164 A 94 LYS N A 94 LYS CA A 94 LYS C A 95 ASP N 1.0 -70.0 -10.0 PSI 165 165 A 94 LYS C A 95 ASP N A 95 ASP CA A 95 ASP C 1.0 -120.0 -70.0 PHI 166 166 A 95 ASP N A 95 ASP CA A 95 ASP C A 96 GLY N 1.0 -20.0 30.0 PSI 167 167 A 95 ASP C A 96 GLY N A 96 GLY CA A 96 GLY C 1.0 40.0 80.0 PHI 168 168 A 96 GLY N A 96 GLY CA A 96 GLY C A 97 ASN N 1.0 10.0 50.0 PSI 169 169 A 96 GLY C A 97 ASN N A 97 ASN CA A 97 ASN C 1.0 -120.0 -70.0 PHI 170 170 A 97 ASN N A 97 ASN CA A 97 ASN C A 98 GLY N 1.0 -20.0 30.0 PSI 171 171 A 97 ASN C A 98 GLY N A 98 GLY CA A 98 GLY C 1.0 60.0 110.0 PHI 172 172 A 98 GLY N A 98 GLY CA A 98 GLY C A 99 TYR N 1.0 -30.0 30.0 PSI 173 173 A 98 GLY C A 99 TYR N A 99 TYR CA A 99 TYR C 1.0 -160.0 -110.0 PHI 174 174 A 99 TYR N A 99 TYR CA A 99 TYR C A 100 ILE N 1.0 130.0 180.0 PSI 175 175 A 99 TYR C A 100 ILE N A 100 ILE CA A 100 ILE C 1.0 -140.0 -80.0 PHI 176 176 A 100 ILE N A 100 ILE CA A 100 ILE C A 101 SER N 1.0 100.0 150.0 PSI 177 177 A 100 ILE C A 101 SER N A 101 SER CA A 101 SER C 1.0 -110.0 -70.0 PHI 178 178 A 101 SER N A 101 SER CA A 101 SER C A 102 ALA N 1.0 150.0 190.0 PSI 179 179 A 101 SER C A 102 ALA N A 102 ALA CA A 102 ALA C 1.0 -90.0 -40.0 PHI 180 180 A 102 ALA N A 102 ALA CA A 102 ALA C A 103 ALA N 1.0 -70.0 -10.0 PSI 181 181 A 102 ALA C A 103 ALA N A 103 ALA CA A 103 ALA C 1.0 -90.0 -40.0 PHI 182 182 A 103 ALA N A 103 ALA CA A 103 ALA C A 104 GLU N 1.0 -70.0 -20.0 PSI 183 183 A 103 ALA C A 104 GLU N A 104 GLU CA A 104 GLU C 1.0 -90.0 -40.0 PHI 184 184 A 104 GLU N A 104 GLU CA A 104 GLU C A 105 LEU N 1.0 -70.0 -20.0 PSI 185 185 A 104 GLU C A 105 LEU N A 105 LEU CA A 105 LEU C 1.0 -80.0 -40.0 PHI 186 186 A 105 LEU N A 105 LEU CA A 105 LEU C A 106 ARG N 1.0 -70.0 -20.0 PSI 187 187 A 105 LEU C A 106 ARG N A 106 ARG CA A 106 ARG C 1.0 -90.0 -40.0 PHI 188 188 A 106 ARG N A 106 ARG CA A 106 ARG C A 107 HIS N 1.0 -70.0 -10.0 PSI 189 189 A 106 ARG C A 107 HIS N A 107 HIS CA A 107 HIS C 1.0 -90.0 -40.0 PHI 190 190 A 107 HIS N A 107 HIS CA A 107 HIS C A 108 VAL N 1.0 -70.0 -20.0 PSI 191 191 A 107 HIS C A 108 VAL N A 108 VAL CA A 108 VAL C 1.0 -90.0 -40.0 PHI 192 192 A 108 VAL N A 108 VAL CA A 108 VAL C A 109 MET N 1.0 -70.0 -20.0 PSI 193 193 A 108 VAL C A 109 MET N A 109 MET CA A 109 MET C 1.0 -90.0 -40.0 PHI 194 194 A 109 MET N A 109 MET CA A 109 MET C A 110 THR N 1.0 -70.0 -20.0 PSI 195 195 A 109 MET C A 110 THR N A 110 THR CA A 110 THR C 1.0 -90.0 -40.0 PHI 196 196 A 110 THR N A 110 THR CA A 110 THR C A 111 ASN N 1.0 -70.0 -20.0 PSI 197 197 A 110 THR C A 111 ASN N A 111 ASN CA A 111 ASN C 1.0 -90.0 -40.0 PHI 198 198 A 111 ASN N A 111 ASN CA A 111 ASN C A 112 LEU N 1.0 -60.0 0.0 PSI 199 199 A 111 ASN C A 112 LEU N A 112 LEU CA A 112 LEU C 1.0 -120.0 -60.0 PHI 200 200 A 112 LEU N A 112 LEU CA A 112 LEU C A 113 GLY N 1.0 -30.0 30.0 PSI 201 201 A 112 LEU C A 113 GLY N A 113 GLY CA A 113 GLY C 1.0 60.0 110.0 PHI 202 202 A 113 GLY N A 113 GLY CA A 113 GLY C A 114 GLU N 1.0 -20.0 30.0 PSI 203 203 A 113 GLY C A 114 GLU N A 114 GLU CA A 114 GLU C 1.0 -170.0 -50.0 PHI 204 204 A 114 GLU N A 114 GLU CA A 114 GLU C A 115 LYS N 1.0 90.0 180.0 PSI 205 205 A 114 GLU C A 115 LYS N A 115 LYS CA A 115 LYS C 1.0 -130.0 -50.0 PHI 206 206 A 115 LYS N A 115 LYS CA A 115 LYS C A 116 LEU N 1.0 90.0 170.0 PSI 207 207 A 115 LYS C A 116 LEU N A 116 LEU CA A 116 LEU C 1.0 -180.0 -50.0 PHI 208 208 A 116 LEU N A 116 LEU CA A 116 LEU C A 117 THR N 1.0 120.0 180.0 PSI 209 209 A 116 LEU C A 117 THR N A 117 THR CA A 117 THR C 1.0 -110.0 -60.0 PHI 210 210 A 117 THR N A 117 THR CA A 117 THR C A 118 ASP N 1.0 150.0 180.0 PSI 211 211 A 117 THR C A 118 ASP N A 118 ASP CA A 118 ASP C 1.0 -80.0 -40.0 PHI 212 212 A 118 ASP N A 118 ASP CA A 118 ASP C A 119 GLU N 1.0 -70.0 -20.0 PSI 213 213 A 118 ASP C A 119 GLU N A 119 GLU CA A 119 GLU C 1.0 -90.0 -40.0 PHI 214 214 A 119 GLU N A 119 GLU CA A 119 GLU C A 120 GLU N 1.0 -70.0 -20.0 PSI 215 215 A 119 GLU C A 120 GLU N A 120 GLU CA A 120 GLU C 1.0 -90.0 -40.0 PHI 216 216 A 120 GLU N A 120 GLU CA A 120 GLU C A 121 VAL N 1.0 -70.0 -20.0 PSI 217 217 A 120 GLU C A 121 VAL N A 121 VAL CA A 121 VAL C 1.0 -90.0 -40.0 PHI 218 218 A 121 VAL N A 121 VAL CA A 121 VAL C A 122 ASP N 1.0 -70.0 -20.0 PSI 219 219 A 121 VAL C A 122 ASP N A 122 ASP CA A 122 ASP C 1.0 -80.0 -40.0 PHI 220 220 A 122 ASP N A 122 ASP CA A 122 ASP C A 123 GLU N 1.0 -70.0 -20.0 PSI 221 221 A 122 ASP C A 123 GLU N A 123 GLU CA A 123 GLU C 1.0 -90.0 -40.0 PHI 222 222 A 123 GLU N A 123 GLU CA A 123 GLU C A 124 MET N 1.0 -70.0 -20.0 PSI 223 223 A 123 GLU C A 124 MET N A 124 MET CA A 124 MET C 1.0 -90.0 -40.0 PHI 224 224 A 124 MET N A 124 MET CA A 124 MET C A 125 ILE N 1.0 -70.0 -20.0 PSI 225 225 A 124 MET C A 125 ILE N A 125 ILE CA A 125 ILE C 1.0 -90.0 -40.0 PHI 226 226 A 125 ILE N A 125 ILE CA A 125 ILE C A 126 ARG N 1.0 -70.0 -20.0 PSI 227 227 A 125 ILE C A 126 ARG N A 126 ARG CA A 126 ARG C 1.0 -80.0 -40.0 PHI 228 228 A 126 ARG N A 126 ARG CA A 126 ARG C A 127 GLU N 1.0 -70.0 -20.0 PSI 229 229 A 126 ARG C A 127 GLU N A 127 GLU CA A 127 GLU C 1.0 -90.0 -40.0 PHI 230 230 A 127 GLU N A 127 GLU CA A 127 GLU C A 128 ALA N 1.0 -60.0 0.0 PSI 231 231 A 127 GLU C A 128 ALA N A 128 ALA CA A 128 ALA C 1.0 -140.0 -70.0 PHI 232 232 A 128 ALA N A 128 ALA CA A 128 ALA C A 129 ASP N 1.0 -40.0 30.0 PSI 233 233 A 128 ALA C A 129 ASP N A 129 ASP CA A 129 ASP C 1.0 -120.0 -40.0 PHI 234 234 A 129 ASP N A 129 ASP CA A 129 ASP C A 130 ILE N 1.0 50.0 160.0 PSI 235 235 A 129 ASP C A 130 ILE N A 130 ILE CA A 130 ILE C 1.0 -80.0 -30.0 PHI 236 236 A 130 ILE N A 130 ILE CA A 130 ILE C A 131 ASP N 1.0 -60.0 -10.0 PSI 237 237 A 130 ILE C A 131 ASP N A 131 ASP CA A 131 ASP C 1.0 -120.0 -70.0 PHI 238 238 A 131 ASP N A 131 ASP CA A 131 ASP C A 132 GLY N 1.0 -20.0 20.0 PSI 239 239 A 131 ASP C A 132 GLY N A 132 GLY CA A 132 GLY C 1.0 40.0 80.0 PHI 240 240 A 132 GLY N A 132 GLY CA A 132 GLY C A 133 ASP N 1.0 10.0 50.0 PSI 241 241 A 132 GLY C A 133 ASP N A 133 ASP CA A 133 ASP C 1.0 -120.0 -70.0 PHI 242 242 A 133 ASP N A 133 ASP CA A 133 ASP C A 134 GLY N 1.0 -20.0 30.0 PSI 243 243 A 133 ASP C A 134 GLY N A 134 GLY CA A 134 GLY C 1.0 60.0 110.0 PHI 244 244 A 134 GLY N A 134 GLY CA A 134 GLY C A 135 GLN N 1.0 -30.0 30.0 PSI 245 245 A 134 GLY C A 135 GLN N A 135 GLN CA A 135 GLN C 1.0 -160.0 -110.0 PHI 246 246 A 135 GLN N A 135 GLN CA A 135 GLN C A 136 VAL N 1.0 130.0 180.0 PSI 247 247 A 135 GLN C A 136 VAL N A 136 VAL CA A 136 VAL C 1.0 -140.0 -80.0 PHI 248 248 A 136 VAL N A 136 VAL CA A 136 VAL C A 137 ASN N 1.0 100.0 150.0 PSI 249 249 A 136 VAL C A 137 ASN N A 137 ASN CA A 137 ASN C 1.0 -110.0 -70.0 PHI 250 250 A 137 ASN N A 137 ASN CA A 137 ASN C A 138 TYR N 1.0 150.0 190.0 PSI 251 251 A 137 ASN C A 138 TYR N A 138 TYR CA A 138 TYR C 1.0 -80.0 -40.0 PHI 252 252 A 138 TYR N A 138 TYR CA A 138 TYR C A 139 GLU N 1.0 -70.0 -20.0 PSI 253 253 A 138 TYR C A 139 GLU N A 139 GLU CA A 139 GLU C 1.0 -80.0 -40.0 PHI 254 254 A 139 GLU N A 139 GLU CA A 139 GLU C A 140 GLU N 1.0 -70.0 -20.0 PSI 255 255 A 139 GLU C A 140 GLU N A 140 GLU CA A 140 GLU C 1.0 -90.0 -40.0 PHI 256 256 A 140 GLU N A 140 GLU CA A 140 GLU C A 141 PHE N 1.0 -60.0 -20.0 PSI 257 257 A 140 GLU C A 141 PHE N A 141 PHE CA A 141 PHE C 1.0 -90.0 -40.0 PHI 258 258 A 141 PHE N A 141 PHE CA A 141 PHE C A 142 VAL N 1.0 -60.0 -20.0 PSI 259 259 A 141 PHE C A 142 VAL N A 142 VAL CA A 142 VAL C 1.0 -90.0 -40.0 PHI 260 260 A 142 VAL N A 142 VAL CA A 142 VAL C A 143 GLN N 1.0 -70.0 -20.0 PSI 261 261 A 142 VAL C A 143 GLN N A 143 GLN CA A 143 GLN C 1.0 -90.0 -40.0 PHI 262 262 A 143 GLN N A 143 GLN CA A 143 GLN C A 144 MET N 1.0 -70.0 -20.0 PSI 263 263 A 143 GLN C A 144 MET N A 144 MET CA A 144 MET C 1.0 -90.0 -40.0 PHI 264 264 A 144 MET N A 144 MET CA A 144 MET C A 145 MET N 1.0 -60.0 -10.0 PSI 265 265 A 144 MET C A 145 MET N A 145 MET CA A 145 MET C 1.0 -110.0 -40.0 PHI 266 266 A 145 MET N A 145 MET CA A 145 MET C A 146 THR N 1.0 -60.0 10.0 PSI 267 267 A 145 MET C A 146 THR N A 146 THR CA A 146 THR C 1.0 -140.0 -60.0 PHI 268 268 A 146 THR N A 146 THR CA A 146 THR C A 147 GLY N 1.0 -40.0 50.0 PSI 269 269 A 146 THR C A 147 GLY N A 147 GLY CA A 147 GLY C 1.0 50.0 120.0 PHI 270 270 A 147 GLY N A 147 GLY CA A 147 GLY C A 148 ALA N 1.0 -30.0 50.0 PSI 271 271 A 147 GLY C A 148 ALA N A 148 ALA CA A 148 ALA C 1.0 -110.0 -40.0 PHI 272 272 A 148 ALA N A 148 ALA CA A 148 ALA C A 149 SER N 1.0 -40.0 20.0 PSI 273 273 A 148 ALA C A 149 SER N A 149 SER CA A 149 SER C 1.0 -110.0 -40.0 PHI 274 274 A 149 SER N A 149 SER CA A 149 SER C A 150 THR N 1.0 -50.0 10.0 PSI 275 275 A 149 SER C A 150 THR N A 150 THR CA A 150 THR C 1.0 -130.0 -40.0 PHI 276 276 A 150 THR N A 150 THR CA A 150 THR C A 151 ALA N 1.0 -60.0 30.0 PSI 277 277 A 150 THR C A 151 ALA N A 151 ALA CA A 151 ALA C 1.0 -110.0 -40.0 PHI 278 278 A 151 ALA N A 151 ALA CA A 151 ALA C A 152 ALA N 1.0 90.0 180.0 PSI 279 279 A 151 ALA C A 152 ALA N A 152 ALA CA A 152 ALA C 1.0 -120.0 -40.0 PHI 280 280 A 152 ALA N A 152 ALA CA A 152 ALA C A 153 GLY N 1.0 -50.0 30.0 PSI 281 281 A 152 ALA C A 153 GLY N A 153 GLY CA A 153 GLY C 1.0 -110.0 -30.0 PHI 282 282 A 153 GLY N A 153 GLY CA A 153 GLY C A 154 SER N 1.0 -80.0 10.0 PSI 283 283 A 153 GLY C A 154 SER N A 154 SER CA A 154 SER C 1.0 -90.0 -40.0 PHI 284 284 A 154 SER N A 154 SER CA A 154 SER C A 155 GLY N 1.0 -70.0 0.0 PSI 285 285 A 154 SER C A 155 GLY N A 155 GLY CA A 155 GLY C 1.0 -90.0 -40.0 PHI 286 286 A 155 GLY N A 155 GLY CA A 155 GLY C A 156 TRP N 1.0 -60.0 -10.0 PSI 287 287 A 155 GLY C A 156 TRP N A 156 TRP CA A 156 TRP C 1.0 -80.0 -40.0 PHI 288 288 A 156 TRP N A 156 TRP CA A 156 TRP C A 157 ARG N 1.0 -70.0 -20.0 PSI 289 289 A 156 TRP C A 157 ARG N A 157 ARG CA A 157 ARG C 1.0 -90.0 -40.0 PHI 290 290 A 157 ARG N A 157 ARG CA A 157 ARG C A 158 LYS N 1.0 -70.0 -20.0 PSI 291 291 A 157 ARG C A 158 LYS N A 158 LYS CA A 158 LYS C 1.0 -80.0 -40.0 PHI 292 292 A 158 LYS N A 158 LYS CA A 158 LYS C A 159 ILE N 1.0 -70.0 -20.0 PSI 293 293 A 158 LYS C A 159 ILE N A 159 ILE CA A 159 ILE C 1.0 -80.0 -40.0 PHI 294 294 A 159 ILE N A 159 ILE CA A 159 ILE C A 160 LYS N 1.0 -70.0 -20.0 PSI 295 295 A 159 ILE C A 160 LYS N A 160 LYS CA A 160 LYS C 1.0 -80.0 -40.0 PHI 296 296 A 160 LYS N A 160 LYS CA A 160 LYS C A 161 LEU N 1.0 -70.0 -20.0 PSI 297 297 A 160 LYS C A 161 LEU N A 161 LEU CA A 161 LEU C 1.0 -80.0 -40.0 PHI 298 298 A 161 LEU N A 161 LEU CA A 161 LEU C A 162 ALA N 1.0 -70.0 -20.0 PSI 299 299 A 161 LEU C A 162 ALA N A 162 ALA CA A 162 ALA C 1.0 -90.0 -40.0 PHI 300 300 A 162 ALA N A 162 ALA CA A 162 ALA C A 163 VAL N 1.0 -70.0 -10.0 PSI 301 301 A 162 ALA C A 163 VAL N A 163 VAL CA A 163 VAL C 1.0 -90.0 -40.0 PHI 302 302 A 163 VAL N A 163 VAL CA A 163 VAL C A 164 ARG N 1.0 -70.0 -20.0 PSI 303 303 A 163 VAL C A 164 ARG N A 164 ARG CA A 164 ARG C 1.0 -90.0 -40.0 PHI 304 304 A 164 ARG N A 164 ARG CA A 164 ARG C A 165 GLY N 1.0 -60.0 0.0 PSI 305 305 A 164 ARG C A 165 GLY N A 165 GLY CA A 165 GLY C 1.0 -100.0 -40.0 PHI 306 306 A 165 GLY N A 165 GLY CA A 165 GLY C A 166 ALA N 1.0 -50.0 20.0 PSI 307 307 A 165 GLY C A 166 ALA N A 166 ALA CA A 166 ALA C 1.0 -130.0 -40.0 PHI 308 308 A 166 ALA N A 166 ALA CA A 166 ALA C A 167 GLN N 1.0 -40.0 40.0 PSI stop_ save_