data_nef_c19637_2mhl 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 2MHL stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 HIS middle . . 3 A 3 GLU middle . . 4 A 4 ALA middle . . 5 A 5 GLY middle . false 6 A 6 GLU middle . . 7 A 7 PHE middle . . 8 A 8 PHE middle . . 9 A 9 MET middle . . 10 A 10 ARG middle . . 11 A 11 ALA middle . . 12 A 12 GLY middle . false 13 A 13 SER middle . . 14 A 14 ALA middle . . 15 A 15 THR middle . . 16 A 16 VAL middle . . 17 A 17 ARG middle . . 18 A 18 PRO middle . false 19 A 19 THR middle . . 20 A 20 GLU middle . . 21 A 21 GLY middle . false 22 A 22 ALA middle . . 23 A 23 GLY middle . false 24 A 24 GLY middle . false 25 A 25 THR middle . . 26 A 26 LEU middle . . 27 A 27 GLY middle . false 28 A 28 SER middle . . 29 A 29 LEU middle . . 30 A 30 GLY middle . false 31 A 31 GLY middle . false 32 A 32 PHE middle . . 33 A 33 SER middle . . 34 A 34 VAL middle . . 35 A 35 THR middle . . 36 A 36 ASN middle . . 37 A 37 ASN middle . . 38 A 38 THR middle . . 39 A 39 GLN middle . . 40 A 40 LEU middle . . 41 A 41 GLY middle . false 42 A 42 LEU middle . . 43 A 43 THR middle . . 44 A 44 PHE middle . . 45 A 45 THR middle . . 46 A 46 TYR middle . . 47 A 47 MET middle . . 48 A 48 ALA middle . . 49 A 49 THR middle . . 50 A 50 ASP middle . . 51 A 51 ASN middle . . 52 A 52 ILE middle . . 53 A 53 GLY middle . false 54 A 54 VAL middle . . 55 A 55 GLU middle . . 56 A 56 LEU middle . . 57 A 57 LEU middle . . 58 A 58 ALA middle . . 59 A 59 ALA middle . . 60 A 60 THR middle . . 61 A 61 PRO middle . false 62 A 62 PHE middle . . 63 A 63 ARG middle . . 64 A 64 HIS middle . . 65 A 65 LYS middle . . 66 A 66 ILE middle . . 67 A 67 GLY middle . false 68 A 68 THR middle . . 69 A 69 ARG middle . . 70 A 70 ALA middle . . 71 A 71 THR middle . . 72 A 72 GLY middle . false 73 A 73 ASP middle . . 74 A 74 ILE middle . . 75 A 75 ALA middle . . 76 A 76 THR middle . . 77 A 77 VAL middle . . 78 A 78 HIS middle . . 79 A 79 HIS middle . . 80 A 80 LEU middle . . 81 A 81 PRO middle . false 82 A 82 PRO middle . false 83 A 83 THR middle . . 84 A 84 LEU middle . . 85 A 85 MET middle . . 86 A 86 ALA middle . . 87 A 87 GLN middle . . 88 A 88 TRP middle . . 89 A 89 TYR middle . . 90 A 90 PHE middle . . 91 A 91 GLY middle . false 92 A 92 ASP middle . . 93 A 93 ALA middle . . 94 A 94 SER middle . . 95 A 95 SER middle . . 96 A 96 LYS middle . . 97 A 97 PHE middle . . 98 A 98 ARG middle . . 99 A 99 PRO middle . false 100 A 100 TYR middle . . 101 A 101 VAL middle . . 102 A 102 GLY middle . false 103 A 103 ALA middle . . 104 A 104 GLY middle . false 105 A 105 ILE middle . . 106 A 106 ASN middle . . 107 A 107 TYR middle . . 108 A 108 THR middle . . 109 A 109 THR middle . . 110 A 110 PHE middle . . 111 A 111 PHE middle . . 112 A 112 ASP middle . . 113 A 113 ASN middle . . 114 A 114 GLY middle . false 115 A 115 PHE middle . . 116 A 116 ASN middle . . 117 A 117 ASP middle . . 118 A 118 HIS middle . . 119 A 119 GLY middle . false 120 A 120 LYS middle . . 121 A 121 GLU middle . . 122 A 122 ALA middle . . 123 A 123 GLY middle . false 124 A 124 LEU middle . . 125 A 125 SER middle . . 126 A 126 ASP middle . . 127 A 127 LEU middle . . 128 A 128 SER middle . . 129 A 129 LEU middle . . 130 A 130 LYS middle . . 131 A 131 ASP middle . . 132 A 132 SER middle . . 133 A 133 TRP middle . . 134 A 134 GLY middle . false 135 A 135 ALA middle . . 136 A 136 ALA middle . . 137 A 137 GLY middle . false 138 A 138 GLN middle . . 139 A 139 VAL middle . . 140 A 140 GLY middle . false 141 A 141 VAL middle . . 142 A 142 ASP middle . . 143 A 143 TYR middle . . 144 A 144 LEU middle . . 145 A 145 ILE middle . . 146 A 146 ASN middle . . 147 A 147 ARG middle . . 148 A 148 ASP middle . . 149 A 149 TRP middle . . 150 A 150 LEU middle . . 151 A 151 VAL middle . . 152 A 152 ASN middle . . 153 A 153 MET middle . . 154 A 154 SER middle . . 155 A 155 VAL middle . . 156 A 156 TRP middle . . 157 A 157 TYR middle . . 158 A 158 MET middle . . 159 A 159 ASP middle . . 160 A 160 ILE middle . . 161 A 161 ASP middle . . 162 A 162 THR middle . . 163 A 163 THR middle . . 164 A 164 ALA middle . . 165 A 165 ASN middle . . 166 A 166 TYR middle . . 167 A 167 LYS middle . . 168 A 168 LEU middle . . 169 A 169 GLY middle . false 170 A 170 GLY middle . false 171 A 171 ALA middle . . 172 A 172 GLN middle . . 173 A 173 GLN middle . . 174 A 174 HIS middle . . 175 A 175 ASP middle . . 176 A 176 SER middle . . 177 A 177 VAL middle . . 178 A 178 ARG middle . . 179 A 179 LEU middle . . 180 A 180 ASP middle . . 181 A 181 PRO middle . false 182 A 182 TRP middle . . 183 A 183 VAL middle . . 184 A 184 PHE middle . . 185 A 185 MET middle . . 186 A 186 PHE middle . . 187 A 187 SER middle . . 188 A 188 ALA middle . . 189 A 189 GLY middle . false 190 A 190 TYR middle . . 191 A 191 ARG middle . . 192 A 192 PHE end . . 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 2 HIS H H 1 8.422 0.01 A 2 HIS C C 13 171.081 0.1 A 2 HIS CA C 13 52.288 0.1 A 2 HIS CB C 13 23.296 0.1 A 2 HIS N N 15 119.214 0.1 A 3 GLU H H 1 6.642 0.01 A 3 GLU C C 13 174.619 0.1 A 3 GLU CA C 13 53.662 0.1 A 3 GLU CB C 13 29.415 0.1 A 3 GLU N N 15 113.500 0.1 A 4 ALA H H 1 8.701 0.01 A 4 ALA C C 13 178.439 0.1 A 4 ALA CA C 13 52.376 0.1 A 4 ALA CB C 13 17.443 0.1 A 4 ALA N N 15 120.680 0.1 A 5 GLY H H 1 9.294 0.01 A 5 GLY C C 13 173.309 0.1 A 5 GLY CA C 13 43.553 0.1 A 5 GLY N N 15 112.786 0.1 A 6 GLU H H 1 7.955 0.01 A 6 GLU C C 13 173.693 0.1 A 6 GLU CA C 13 56.018 0.1 A 6 GLU CB C 13 31.188 0.1 A 6 GLU N N 15 121.755 0.1 A 7 PHE H H 1 8.648 0.01 A 7 PHE C C 13 174.039 0.1 A 7 PHE CA C 13 54.333 0.1 A 7 PHE CB C 13 41.741 0.1 A 7 PHE N N 15 124.802 0.1 A 8 PHE H H 1 8.574 0.01 A 8 PHE C C 13 171.861 0.1 A 8 PHE CA C 13 54.549 0.1 A 8 PHE CB C 13 40.677 0.1 A 8 PHE N N 15 121.132 0.1 A 9 MET H H 1 8.541 0.01 A 9 MET C C 13 174.166 0.1 A 9 MET CA C 13 52.199 0.1 A 9 MET CB C 13 37.307 0.1 A 9 MET N N 15 120.391 0.1 A 10 ARG H H 1 8.357 0.01 A 10 ARG C C 13 175.289 0.1 A 10 ARG CA C 13 53.446 0.1 A 10 ARG CB C 13 31.366 0.1 A 10 ARG N N 15 117.892 0.1 A 11 ALA H H 1 9.154 0.01 A 11 ALA C C 13 176.057 0.1 A 11 ALA CA C 13 49.632 0.1 A 11 ALA CB C 13 21.518 0.1 A 11 ALA N N 15 119.664 0.1 A 12 GLY H H 1 8.655 0.01 A 12 GLY C C 13 172.068 0.1 A 12 GLY CA C 13 45.149 0.1 A 12 GLY N N 15 106.262 0.1 A 13 SER H H 1 8.644 0.01 A 13 SER C C 13 173.604 0.1 A 13 SER CA C 13 56.367 0.1 A 13 SER CB C 13 64.087 0.1 A 13 SER N N 15 116.893 0.1 A 14 ALA H H 1 9.120 0.01 A 14 ALA CA C 13 49.627 0.1 A 14 ALA CB C 13 18.330 0.1 A 14 ALA N N 15 125.234 0.1 A 15 THR H H 1 9.351 0.01 A 15 THR C C 13 175.230 0.1 A 15 THR CA C 13 60.895 0.1 A 15 THR CB C 13 70.029 0.1 A 15 THR N N 15 121.303 0.1 A 16 VAL H H 1 9.110 0.01 A 16 VAL C C 13 174.432 0.1 A 16 VAL CA C 13 60.806 0.1 A 16 VAL CB C 13 30.922 0.1 A 16 VAL N N 15 126.781 0.1 A 17 ARG H H 1 9.325 0.01 A 17 ARG C C 13 173.440 0.1 A 17 ARG CA C 13 51.407 0.1 A 17 ARG CB C 13 30.302 0.1 A 17 ARG N N 15 129.806 0.1 A 19 THR H H 1 8.021 0.01 A 19 THR CA C 13 61.022 0.1 A 19 THR CB C 13 69.142 0.1 A 19 THR N N 15 114.402 0.1 A 20 GLU H H 1 8.601 0.01 A 20 GLU C C 13 177.007 0.1 A 20 GLU CA C 13 55.480 0.1 A 20 GLU CB C 13 28.794 0.1 A 20 GLU N N 15 123.598 0.1 A 21 GLY H H 1 8.530 0.01 A 21 GLY C C 13 174.077 0.1 A 21 GLY CA C 13 44.661 0.1 A 21 GLY N N 15 110.237 0.1 A 22 ALA H H 1 8.279 0.01 A 22 ALA C C 13 178.158 0.1 A 22 ALA CA C 13 51.755 0.1 A 22 ALA CB C 13 17.778 0.1 A 22 ALA N N 15 123.476 0.1 A 23 GLY H H 1 8.452 0.01 A 23 GLY C C 13 174.727 0.1 A 23 GLY CA C 13 44.440 0.1 A 23 GLY N N 15 107.265 0.1 A 24 GLY H H 1 8.221 0.01 A 24 GLY C C 13 174.786 0.1 A 24 GLY CA C 13 44.440 0.1 A 24 GLY N N 15 108.306 0.1 A 25 THR H H 1 8.213 0.01 A 25 THR C C 13 175.170 0.1 A 25 THR CA C 13 61.599 0.1 A 25 THR CB C 13 68.521 0.1 A 25 THR N N 15 114.381 0.1 A 26 LEU H H 1 8.425 0.01 A 26 LEU C C 13 177.918 0.1 A 26 LEU CA C 13 54.682 0.1 A 26 LEU CB C 13 40.145 0.1 A 26 LEU N N 15 123.038 0.1 A 27 GLY H H 1 8.260 0.01 A 27 GLY C C 13 175.023 0.1 A 27 GLY CA C 13 44.839 0.1 A 27 GLY N N 15 108.786 0.1 A 28 SER H H 1 8.330 0.01 A 28 SER CA C 13 58.140 0.1 A 28 SER CB C 13 62.846 0.1 A 28 SER N N 15 116.175 0.1 A 29 LEU H H 1 8.157 0.01 A 29 LEU C C 13 177.512 0.1 A 29 LEU CA C 13 54.416 0.1 A 29 LEU CB C 13 40.322 0.1 A 29 LEU N N 15 122.260 0.1 A 30 GLY H H 1 8.144 0.01 A 30 GLY C C 13 174.225 0.1 A 30 GLY CA C 13 44.528 0.1 A 30 GLY N N 15 107.575 0.1 A 31 GLY H H 1 8.044 0.01 A 31 GLY C C 13 173.664 0.1 A 31 GLY CA C 13 44.218 0.1 A 31 GLY N N 15 107.996 0.1 A 32 PHE H H 1 8.181 0.01 A 32 PHE C C 13 175.495 0.1 A 32 PHE CA C 13 56.373 0.1 A 32 PHE CB C 13 39.258 0.1 A 32 PHE N N 15 119.248 0.1 A 33 SER H H 1 8.771 0.01 A 33 SER C C 13 173.368 0.1 A 33 SER CA C 13 55.746 0.1 A 33 SER CB C 13 64.265 0.1 A 33 SER N N 15 117.720 0.1 A 34 VAL H H 1 8.525 0.01 A 34 VAL CA C 13 59.426 0.1 A 34 VAL CB C 13 32.785 0.1 A 34 VAL N N 15 123.007 0.1 A 35 THR H H 1 8.147 0.01 A 35 THR CA C 13 61.200 0.1 A 35 THR CB C 13 69.851 0.1 A 35 THR N N 15 115.459 0.1 A 36 ASN H H 1 8.719 0.01 A 36 ASN CA C 13 51.407 0.1 A 36 ASN CB C 13 38.105 0.1 A 36 ASN N N 15 118.274 0.1 A 37 ASN H H 1 8.432 0.01 A 37 ASN CA C 13 54.865 0.1 A 37 ASN CB C 13 44.312 0.1 A 37 ASN N N 15 115.657 0.1 A 38 THR H H 1 8.095 0.01 A 38 THR CA C 13 61.288 0.1 A 38 THR CB C 13 69.142 0.1 A 38 THR N N 15 122.444 0.1 A 40 LEU H H 1 6.902 0.01 A 40 LEU CA C 13 54.327 0.1 A 40 LEU CB C 13 41.218 0.1 A 40 LEU N N 15 120.457 0.1 A 41 GLY H H 1 8.978 0.01 A 41 GLY C C 13 171.034 0.1 A 41 GLY CA C 13 42.843 0.1 A 41 GLY N N 15 111.223 0.1 A 42 LEU H H 1 8.679 0.01 A 42 LEU C C 13 175.350 0.1 A 42 LEU CA C 13 52.155 0.1 A 42 LEU CB C 13 45.377 0.1 A 42 LEU N N 15 122.123 0.1 A 43 THR H H 1 8.792 0.01 A 43 THR C C 13 173.516 0.1 A 43 THR CA C 13 58.057 0.1 A 43 THR CB C 13 70.029 0.1 A 43 THR N N 15 109.917 0.1 A 44 PHE H H 1 8.566 0.01 A 44 PHE C C 13 173.917 0.1 A 44 PHE CA C 13 55.480 0.1 A 44 PHE CB C 13 40.765 0.1 A 44 PHE N N 15 118.699 0.1 A 45 THR H H 1 7.903 0.01 A 45 THR C C 13 170.886 0.1 A 45 THR CA C 13 60.097 0.1 A 45 THR CB C 13 68.433 0.1 A 45 THR N N 15 118.229 0.1 A 46 TYR H H 1 8.941 0.01 A 46 TYR C C 13 174.254 0.1 A 46 TYR CA C 13 54.150 0.1 A 46 TYR CB C 13 42.273 0.1 A 46 TYR N N 15 124.450 0.1 A 47 MET H H 1 7.798 0.01 A 47 MET C C 13 175.082 0.1 A 47 MET CA C 13 50.425 0.1 A 47 MET CB C 13 26.222 0.1 A 47 MET N N 15 123.598 0.1 A 48 ALA H H 1 8.717 0.01 A 48 ALA C C 13 178.568 0.1 A 48 ALA CA C 13 53.305 0.1 A 48 ALA CB C 13 17.712 0.1 A 48 ALA N N 15 129.975 0.1 A 49 THR H H 1 8.072 0.01 A 49 THR C C 13 171.950 0.1 A 49 THR CA C 13 57.786 0.1 A 49 THR CB C 13 70.535 0.1 A 49 THR N N 15 106.011 0.1 A 50 ASP H H 1 8.390 0.01 A 50 ASP C C 13 175.318 0.1 A 50 ASP CA C 13 54.776 0.1 A 50 ASP CB C 13 39.790 0.1 A 50 ASP N N 15 114.062 0.1 A 51 ASN H H 1 7.887 0.01 A 51 ASN C C 13 171.684 0.1 A 51 ASN CA C 13 54.416 0.1 A 51 ASN CB C 13 40.233 0.1 A 51 ASN N N 15 111.850 0.1 A 52 ILE H H 1 7.707 0.01 A 52 ILE C C 13 175.495 0.1 A 52 ILE CA C 13 59.648 0.1 A 52 ILE CB C 13 37.484 0.1 A 52 ILE N N 15 118.929 0.1 A 53 GLY H H 1 8.678 0.01 A 53 GLY C C 13 171.536 0.1 A 53 GLY CA C 13 42.932 0.1 A 53 GLY N N 15 114.998 0.1 A 54 VAL H H 1 8.734 0.01 A 54 VAL C C 13 173.309 0.1 A 54 VAL CA C 13 59.648 0.1 A 54 VAL CB C 13 32.873 0.1 A 54 VAL N N 15 118.327 0.1 A 55 GLU H H 1 9.084 0.01 A 55 GLU C C 13 173.575 0.1 A 55 GLU CA C 13 53.269 0.1 A 55 GLU CB C 13 34.727 0.1 A 55 GLU N N 15 126.907 0.1 A 56 LEU H H 1 9.168 0.01 A 56 LEU C C 13 174.786 0.1 A 56 LEU CA C 13 51.933 0.1 A 56 LEU CB C 13 45.022 0.1 A 56 LEU N N 15 126.739 0.1 A 57 LEU H H 1 9.174 0.01 A 57 LEU C C 13 174.579 0.1 A 57 LEU CA C 13 53.091 0.1 A 57 LEU CB C 13 43.160 0.1 A 57 LEU N N 15 127.189 0.1 A 58 ALA H H 1 9.435 0.01 A 58 ALA C C 13 172.925 0.1 A 58 ALA CA C 13 48.924 0.1 A 58 ALA CB C 13 21.079 0.1 A 58 ALA N N 15 125.061 0.1 A 59 ALA H H 1 6.833 0.01 A 59 ALA C C 13 176.248 0.1 A 59 ALA CA C 13 50.071 0.1 A 59 ALA CB C 13 19.659 0.1 A 59 ALA N N 15 116.911 0.1 A 60 THR H H 1 7.718 0.01 A 60 THR C C 13 170.975 0.1 A 60 THR CA C 13 59.515 0.1 A 60 THR CB C 13 63.487 0.1 A 60 THR N N 15 105.771 0.1 A 62 PHE H H 1 8.251 0.01 A 62 PHE C C 13 174.934 0.1 A 62 PHE CA C 13 56.721 0.1 A 62 PHE CB C 13 39.613 0.1 A 62 PHE N N 15 122.473 0.1 A 63 ARG H H 1 7.378 0.01 A 63 ARG C C 13 174.423 0.1 A 63 ARG CA C 13 52.648 0.1 A 63 ARG CB C 13 31.898 0.1 A 63 ARG N N 15 118.016 0.1 A 64 HIS H H 1 8.588 0.01 A 64 HIS CA C 13 52.953 0.1 A 64 HIS N N 15 120.040 0.1 A 66 ILE H H 1 8.726 0.01 A 66 ILE C C 13 175.141 0.1 A 66 ILE CA C 13 57.963 0.1 A 66 ILE CB C 13 38.637 0.1 A 66 ILE N N 15 122.668 0.1 A 67 GLY H H 1 8.780 0.01 A 67 GLY C C 13 172.570 0.1 A 67 GLY CA C 13 44.129 0.1 A 67 GLY N N 15 114.948 0.1 A 68 THR H H 1 7.431 0.01 A 68 THR C C 13 175.574 0.1 A 68 THR CA C 13 58.672 0.1 A 68 THR CB C 13 71.270 0.1 A 68 THR N N 15 106.079 0.1 A 69 ARG H H 1 8.783 0.01 A 69 ARG C C 13 178.298 0.1 A 69 ARG CA C 13 58.229 0.1 A 69 ARG CB C 13 28.173 0.1 A 69 ARG N N 15 122.303 0.1 A 70 ALA H H 1 8.262 0.01 A 70 ALA C C 13 179.281 0.1 A 70 ALA CA C 13 53.269 0.1 A 70 ALA CB C 13 17.975 0.1 A 70 ALA N N 15 117.681 0.1 A 71 THR H H 1 7.473 0.01 A 71 THR C C 13 176.136 0.1 A 71 THR CA C 13 60.895 0.1 A 71 THR CB C 13 70.383 0.1 A 71 THR N N 15 105.486 0.1 A 72 GLY H H 1 8.194 0.01 A 72 GLY C C 13 175.052 0.1 A 72 GLY CA C 13 44.046 0.1 A 72 GLY N N 15 111.099 0.1 A 73 ASP H H 1 8.668 0.01 A 73 ASP C C 13 177.889 0.1 A 73 ASP CA C 13 55.042 0.1 A 73 ASP CB C 13 39.524 0.1 A 73 ASP N N 15 121.919 0.1 A 74 ILE H H 1 9.327 0.01 A 74 ILE C C 13 175.013 0.1 A 74 ILE CA C 13 59.914 0.1 A 74 ILE CB C 13 41.297 0.1 A 74 ILE N N 15 117.113 0.1 A 75 ALA H H 1 8.086 0.01 A 75 ALA CA C 13 50.425 0.1 A 75 ALA CB C 13 21.523 0.1 A 75 ALA N N 15 121.329 0.1 A 76 THR H H 1 8.539 0.01 A 76 THR C C 13 173.043 0.1 A 76 THR CA C 13 60.540 0.1 A 76 THR CB C 13 69.674 0.1 A 76 THR N N 15 116.168 0.1 A 77 VAL H H 1 8.578 0.01 A 77 VAL C C 13 174.964 0.1 A 77 VAL CA C 13 57.348 0.1 A 77 VAL CB C 13 34.026 0.1 A 77 VAL N N 15 117.996 0.1 A 78 HIS H H 1 7.822 0.01 A 78 HIS C C 13 173.634 0.1 A 78 HIS CA C 13 52.825 0.1 A 78 HIS CB C 13 29.947 0.1 A 78 HIS N N 15 116.541 0.1 A 79 HIS H H 1 7.912 0.01 A 79 HIS C C 13 173.841 0.1 A 79 HIS CA C 13 54.416 0.1 A 79 HIS CB C 13 34.026 0.1 A 79 HIS N N 15 113.176 0.1 A 80 LEU H H 1 8.205 0.01 A 80 LEU C C 13 177.821 0.1 A 80 LEU CA C 13 50.159 0.1 A 80 LEU CB C 13 46.263 0.1 A 80 LEU N N 15 118.153 0.1 A 83 THR H H 1 7.688 0.01 A 83 THR C C 13 171.362 0.1 A 83 THR CA C 13 60.540 0.1 A 83 THR CB C 13 72.068 0.1 A 83 THR N N 15 115.326 0.1 A 84 LEU H H 1 9.013 0.01 A 84 LEU C C 13 174.373 0.1 A 84 LEU CA C 13 52.421 0.1 A 84 LEU CB C 13 44.756 0.1 A 84 LEU N N 15 129.848 0.1 A 85 MET H H 1 9.823 0.01 A 85 MET C C 13 175.407 0.1 A 85 MET CA C 13 52.421 0.1 A 85 MET CB C 13 34.558 0.1 A 85 MET N N 15 121.374 0.1 A 86 ALA H H 1 9.080 0.01 A 86 ALA C C 13 176.205 0.1 A 86 ALA CA C 13 49.805 0.1 A 86 ALA CB C 13 18.951 0.1 A 86 ALA N N 15 123.689 0.1 A 87 GLN H H 1 9.061 0.01 A 87 GLN C C 13 175.495 0.1 A 87 GLN CA C 13 53.358 0.1 A 87 GLN CB C 13 34.292 0.1 A 87 GLN N N 15 116.548 0.1 A 88 TRP H H 1 8.893 0.01 A 88 TRP HE1 H 1 9.480 0.01 A 88 TRP C C 13 174.727 0.1 A 88 TRP CA C 13 54.954 0.1 A 88 TRP CB C 13 30.479 0.1 A 88 TRP N N 15 119.609 0.1 A 88 TRP NE1 N 15 128.286 0.1 A 89 TYR H H 1 8.815 0.01 A 89 TYR C C 13 176.382 0.1 A 89 TYR CA C 13 55.042 0.1 A 89 TYR N N 15 124.849 0.1 A 90 PHE H H 1 9.171 0.01 A 90 PHE C C 13 176.304 0.1 A 90 PHE CA C 13 57.821 0.1 A 90 PHE CB C 13 38.460 0.1 A 90 PHE N N 15 122.137 0.1 A 91 GLY H H 1 9.342 0.01 A 91 GLY C C 13 172.748 0.1 A 91 GLY CA C 13 44.331 0.1 A 91 GLY N N 15 108.961 0.1 A 92 ASP H H 1 8.612 0.01 A 92 ASP C C 13 175.968 0.1 A 92 ASP CA C 13 51.622 0.1 A 92 ASP CB C 13 41.563 0.1 A 92 ASP N N 15 119.869 0.1 A 93 ALA H H 1 8.673 0.01 A 93 ALA C C 13 178.748 0.1 A 93 ALA CA C 13 53.180 0.1 A 93 ALA CB C 13 16.911 0.1 A 93 ALA N N 15 117.665 0.1 A 94 SER H H 1 8.902 0.01 A 94 SER C C 13 175.348 0.1 A 94 SER CA C 13 58.185 0.1 A 94 SER CB C 13 62.757 0.1 A 94 SER N N 15 115.062 0.1 A 95 SER H H 1 7.922 0.01 A 95 SER CA C 13 58.451 0.1 A 95 SER CB C 13 62.580 0.1 A 95 SER N N 15 120.754 0.1 A 96 LYS H H 1 8.555 0.01 A 96 LYS CA C 13 54.599 0.1 A 96 LYS CB C 13 31.366 0.1 A 96 LYS N N 15 120.924 0.1 A 97 PHE H H 1 7.596 0.01 A 97 PHE CA C 13 54.688 0.1 A 97 PHE CB C 13 40.322 0.1 A 97 PHE N N 15 117.773 0.1 A 98 ARG H H 1 8.823 0.01 A 98 ARG C C 13 173.047 0.1 A 98 ARG CA C 13 52.471 0.1 A 98 ARG CB C 13 31.632 0.1 A 98 ARG N N 15 120.982 0.1 A 100 TYR H H 1 8.885 0.01 A 100 TYR C C 13 173.047 0.1 A 100 TYR CA C 13 54.954 0.1 A 100 TYR CB C 13 39.524 0.1 A 100 TYR N N 15 117.775 0.1 A 101 VAL H H 1 8.365 0.01 A 101 VAL C C 13 173.457 0.1 A 101 VAL CA C 13 57.105 0.1 A 101 VAL CB C 13 34.381 0.1 A 101 VAL N N 15 111.744 0.1 A 102 GLY H H 1 8.271 0.01 A 102 GLY C C 13 171.241 0.1 A 102 GLY CA C 13 44.972 0.1 A 102 GLY N N 15 108.300 0.1 A 103 ALA H H 1 9.048 0.01 A 103 ALA C C 13 175.614 0.1 A 103 ALA CA C 13 49.833 0.1 A 103 ALA CB C 13 21.718 0.1 A 103 ALA N N 15 120.836 0.1 A 104 GLY H H 1 8.661 0.01 A 104 GLY C C 13 171.832 0.1 A 104 GLY CA C 13 46.479 0.1 A 104 GLY N N 15 107.477 0.1 A 105 ILE H H 1 9.020 0.01 A 105 ILE C C 13 172.275 0.1 A 105 ILE CA C 13 57.348 0.1 A 105 ILE CB C 13 41.652 0.1 A 105 ILE N N 15 118.575 0.1 A 106 ASN H H 1 9.659 0.01 A 106 ASN C C 13 171.418 0.1 A 106 ASN CA C 13 51.584 0.1 A 106 ASN CB C 13 40.854 0.1 A 106 ASN N N 15 123.879 0.1 A 107 TYR H H 1 8.273 0.01 A 107 TYR C C 13 173.073 0.1 A 107 TYR CA C 13 54.504 0.1 A 107 TYR CB C 13 40.854 0.1 A 107 TYR N N 15 125.744 0.1 A 108 THR H H 1 8.446 0.01 A 108 THR C C 13 172.457 0.1 A 108 THR CA C 13 60.452 0.1 A 108 THR CB C 13 69.319 0.1 A 108 THR N N 15 119.337 0.1 A 109 THR H H 1 7.548 0.01 A 109 THR C C 13 171.625 0.1 A 109 THR CA C 13 56.810 0.1 A 109 THR N N 15 118.655 0.1 A 112 ASP H H 1 8.995 0.01 A 112 ASP C C 13 175.490 0.1 A 112 ASP CA C 13 53.884 0.1 A 112 ASP CB C 13 37.662 0.1 A 112 ASP N N 15 116.796 0.1 A 113 ASN H H 1 8.410 0.01 A 113 ASN C C 13 175.702 0.1 A 113 ASN CA C 13 50.736 0.1 A 113 ASN CB C 13 39.348 0.1 A 113 ASN N N 15 117.801 0.1 A 114 GLY H H 1 8.557 0.01 A 114 GLY C C 13 171.979 0.1 A 114 GLY CA C 13 44.794 0.1 A 114 GLY N N 15 107.744 0.1 A 115 PHE H H 1 8.607 0.01 A 115 PHE C C 13 176.192 0.1 A 115 PHE CA C 13 57.490 0.1 A 115 PHE CB C 13 39.081 0.1 A 115 PHE N N 15 119.554 0.1 A 116 ASN H H 1 8.240 0.01 A 116 ASN C C 13 175.407 0.1 A 116 ASN CA C 13 50.071 0.1 A 116 ASN CB C 13 37.041 0.1 A 116 ASN N N 15 120.356 0.1 A 117 ASP H H 1 8.460 0.01 A 117 ASP C C 13 178.298 0.1 A 117 ASP CA C 13 57.348 0.1 A 117 ASP CB C 13 38.548 0.1 A 117 ASP N N 15 117.610 0.1 A 118 HIS H H 1 8.185 0.01 A 118 HIS C C 13 177.821 0.1 A 118 HIS CA C 13 56.766 0.1 A 118 HIS CB C 13 26.727 0.1 A 118 HIS N N 15 118.493 0.1 A 119 GLY H H 1 8.788 0.01 A 119 GLY C C 13 175.082 0.1 A 119 GLY CA C 13 46.612 0.1 A 119 GLY N N 15 107.937 0.1 A 120 LYS H H 1 8.890 0.01 A 120 LYS C C 13 181.612 0.1 A 120 LYS CA C 13 58.717 0.1 A 120 LYS CB C 13 30.656 0.1 A 120 LYS N N 15 122.898 0.1 A 121 GLU H H 1 8.234 0.01 A 121 GLU C C 13 177.327 0.1 A 121 GLU CA C 13 57.653 0.1 A 121 GLU CB C 13 27.730 0.1 A 121 GLU N N 15 120.995 0.1 A 122 ALA H H 1 7.259 0.01 A 122 ALA C C 13 176.500 0.1 A 122 ALA CA C 13 51.042 0.1 A 122 ALA CB C 13 16.710 0.1 A 122 ALA N N 15 119.811 0.1 A 123 GLY H H 1 7.745 0.01 A 123 GLY C C 13 175.082 0.1 A 123 GLY CA C 13 44.264 0.1 A 123 GLY N N 15 103.863 0.1 A 124 LEU H H 1 7.461 0.01 A 124 LEU C C 13 176.293 0.1 A 124 LEU CA C 13 53.269 0.1 A 124 LEU CB C 13 38.016 0.1 A 124 LEU N N 15 123.722 0.1 A 125 SER H H 1 8.809 0.01 A 125 SER C C 13 173.250 0.1 A 125 SER CA C 13 57.259 0.1 A 125 SER CB C 13 65.684 0.1 A 125 SER N N 15 114.112 0.1 A 126 ASP H H 1 9.035 0.01 A 126 ASP C C 13 174.107 0.1 A 126 ASP CA C 13 54.593 0.1 A 126 ASP CB C 13 38.726 0.1 A 126 ASP N N 15 117.817 0.1 A 127 LEU H H 1 8.109 0.01 A 127 LEU C C 13 176.726 0.1 A 127 LEU CA C 13 54.371 0.1 A 127 LEU CB C 13 40.322 0.1 A 127 LEU N N 15 120.160 0.1 A 128 SER H H 1 9.499 0.01 A 128 SER C C 13 172.038 0.1 A 128 SER CA C 13 57.120 0.1 A 128 SER CB C 13 64.353 0.1 A 128 SER N N 15 120.909 0.1 A 129 LEU H H 1 8.182 0.01 A 129 LEU C C 13 176.411 0.1 A 129 LEU CA C 13 53.839 0.1 A 129 LEU CB C 13 42.539 0.1 A 129 LEU N N 15 122.260 0.1 A 130 LYS H H 1 7.536 0.01 A 130 LYS C C 13 176.754 0.1 A 130 LYS CA C 13 55.042 0.1 A 130 LYS CB C 13 32.518 0.1 A 130 LYS N N 15 122.490 0.1 A 131 ASP H H 1 8.782 0.01 A 131 ASP C C 13 175.998 0.1 A 131 ASP CA C 13 54.460 0.1 A 131 ASP CB C 13 40.233 0.1 A 131 ASP N N 15 123.217 0.1 A 132 SER H H 1 9.016 0.01 A 132 SER C C 13 171.920 0.1 A 132 SER CA C 13 55.790 0.1 A 132 SER CB C 13 64.087 0.1 A 132 SER N N 15 115.445 0.1 A 133 TRP H H 1 7.896 0.01 A 133 TRP C C 13 178.243 0.1 A 133 TRP CA C 13 55.309 0.1 A 133 TRP CB C 13 31.401 0.1 A 133 TRP N N 15 124.389 0.1 A 134 GLY H H 1 8.896 0.01 A 134 GLY C C 13 171.123 0.1 A 134 GLY CA C 13 44.750 0.1 A 134 GLY N N 15 107.658 0.1 A 135 ALA H H 1 8.946 0.01 A 135 ALA C C 13 174.875 0.1 A 135 ALA CA C 13 51.141 0.1 A 135 ALA CB C 13 19.306 0.1 A 135 ALA N N 15 122.244 0.1 A 136 ALA H H 1 8.111 0.01 A 136 ALA C C 13 175.434 0.1 A 136 ALA CA C 13 49.494 0.1 A 136 ALA CB C 13 23.207 0.1 A 136 ALA N N 15 118.579 0.1 A 137 GLY H H 1 8.933 0.01 A 137 GLY C C 13 171.300 0.1 A 137 GLY CA C 13 43.182 0.1 A 137 GLY N N 15 105.005 0.1 A 138 GLN H H 1 8.559 0.01 A 138 GLN CA C 13 53.263 0.1 A 138 GLN N N 15 115.695 0.1 A 140 GLY H H 1 7.936 0.01 A 140 GLY C C 13 171.329 0.1 A 140 GLY CA C 13 44.617 0.1 A 140 GLY N N 15 110.307 0.1 A 141 VAL H H 1 8.646 0.01 A 141 VAL C C 13 171.979 0.1 A 141 VAL CA C 13 59.914 0.1 A 141 VAL CB C 13 33.937 0.1 A 141 VAL N N 15 112.233 0.1 A 142 ASP H H 1 7.402 0.01 A 142 ASP C C 13 175.259 0.1 A 142 ASP CA C 13 51.711 0.1 A 142 ASP CB C 13 43.780 0.1 A 142 ASP N N 15 122.520 0.1 A 143 TYR H H 1 9.396 0.01 A 143 TYR C C 13 173.870 0.1 A 143 TYR CA C 13 54.948 0.1 A 143 TYR CB C 13 40.765 0.1 A 143 TYR N N 15 122.331 0.1 A 144 LEU H H 1 8.313 0.01 A 144 LEU C C 13 174.786 0.1 A 144 LEU CA C 13 55.524 0.1 A 144 LEU CB C 13 40.677 0.1 A 144 LEU N N 15 130.341 0.1 A 145 ILE H H 1 8.809 0.01 A 145 ILE C C 13 177.593 0.1 A 145 ILE CA C 13 60.097 0.1 A 145 ILE CB C 13 36.864 0.1 A 145 ILE N N 15 124.602 0.1 A 146 ASN H H 1 8.362 0.01 A 146 ASN CA C 13 51.318 0.1 A 146 ASN CB C 13 36.952 0.1 A 146 ASN N N 15 118.348 0.1 A 147 ARG H H 1 8.072 0.01 A 147 ARG C C 13 176.470 0.1 A 147 ARG CA C 13 58.584 0.1 A 147 ARG CB C 13 28.705 0.1 A 147 ARG N N 15 113.940 0.1 A 148 ASP H H 1 7.668 0.01 A 148 ASP C C 13 174.373 0.1 A 148 ASP CA C 13 54.327 0.1 A 148 ASP CB C 13 42.628 0.1 A 148 ASP N N 15 112.938 0.1 A 149 TRP H H 1 7.788 0.01 A 149 TRP HE1 H 1 10.492 0.01 A 149 TRP C C 13 175.574 0.1 A 149 TRP CA C 13 55.486 0.1 A 149 TRP CB C 13 31.720 0.1 A 149 TRP N N 15 116.148 0.1 A 149 TRP NE1 N 15 128.500 0.1 A 150 LEU H H 1 9.306 0.01 A 150 LEU C C 13 175.141 0.1 A 150 LEU CA C 13 52.155 0.1 A 150 LEU CB C 13 44.401 0.1 A 150 LEU N N 15 118.106 0.1 A 151 VAL H H 1 9.293 0.01 A 151 VAL C C 13 173.524 0.1 A 151 VAL CA C 13 59.299 0.1 A 151 VAL CB C 13 33.849 0.1 A 151 VAL N N 15 115.211 0.1 A 152 ASN H H 1 8.893 0.01 A 152 ASN CA C 13 51.755 0.1 A 152 ASN CB C 13 42.628 0.1 A 152 ASN N N 15 124.526 0.1 A 153 MET H H 1 8.003 0.01 A 153 MET C C 13 173.987 0.1 A 153 MET CA C 13 54.017 0.1 A 153 MET CB C 13 36.243 0.1 A 153 MET N N 15 118.533 0.1 A 154 SER H H 1 9.191 0.01 A 154 SER C C 13 172.120 0.1 A 154 SER CA C 13 56.550 0.1 A 154 SER CB C 13 64.619 0.1 A 154 SER N N 15 113.225 0.1 A 155 VAL H H 1 9.190 0.01 A 155 VAL C C 13 173.973 0.1 A 155 VAL CA C 13 59.382 0.1 A 155 VAL N N 15 119.543 0.1 A 156 TRP H H 1 9.883 0.01 A 156 TRP C C 13 175.237 0.1 A 156 TRP CA C 13 53.263 0.1 A 156 TRP CB C 13 33.228 0.1 A 156 TRP N N 15 124.596 0.1 A 160 ILE H H 1 7.948 0.01 A 160 ILE C C 13 173.545 0.1 A 160 ILE CA C 13 60.269 0.1 A 160 ILE N N 15 123.211 0.1 A 161 ASP H H 1 8.302 0.01 A 161 ASP CA C 13 52.421 0.1 A 161 ASP CB C 13 41.830 0.1 A 161 ASP N N 15 128.357 0.1 A 162 THR H H 1 8.788 0.01 A 162 THR CA C 13 57.259 0.1 A 162 THR CB C 13 68.167 0.1 A 162 THR N N 15 117.472 0.1 A 163 THR H H 1 8.429 0.01 A 163 THR CA C 13 60.629 0.1 A 163 THR CB C 13 68.278 0.1 A 163 THR N N 15 120.189 0.1 A 164 ALA H H 1 9.428 0.01 A 164 ALA C C 13 174.993 0.1 A 164 ALA CA C 13 49.190 0.1 A 164 ALA CB C 13 18.951 0.1 A 164 ALA N N 15 127.991 0.1 A 165 ASN H H 1 9.216 0.01 A 165 ASN C C 13 173.047 0.1 A 165 ASN CA C 13 51.141 0.1 A 165 ASN CB C 13 40.056 0.1 A 165 ASN N N 15 122.214 0.1 A 166 TYR H H 1 7.816 0.01 A 166 TYR C C 13 172.260 0.1 A 166 TYR CA C 13 55.397 0.1 A 166 TYR CB C 13 37.662 0.1 A 166 TYR N N 15 116.330 0.1 A 167 LYS H H 1 9.100 0.01 A 167 LYS C C 13 174.760 0.1 A 167 LYS CA C 13 53.751 0.1 A 167 LYS CB C 13 34.381 0.1 A 167 LYS N N 15 117.734 0.1 A 168 LEU H H 1 8.372 0.01 A 168 LEU C C 13 177.877 0.1 A 168 LEU CA C 13 52.509 0.1 A 168 LEU CB C 13 42.894 0.1 A 168 LEU N N 15 121.623 0.1 A 169 GLY H H 1 9.603 0.01 A 169 GLY C C 13 175.602 0.1 A 169 GLY CA C 13 46.257 0.1 A 169 GLY N N 15 119.264 0.1 A 170 GLY H H 1 8.381 0.01 A 170 GLY C C 13 172.570 0.1 A 170 GLY CA C 13 44.040 0.1 A 170 GLY N N 15 104.659 0.1 A 171 ALA H H 1 7.650 0.01 A 171 ALA C C 13 177.569 0.1 A 171 ALA CA C 13 49.893 0.1 A 171 ALA CB C 13 18.330 0.1 A 171 ALA N N 15 123.570 0.1 A 172 GLN H H 1 8.840 0.01 A 172 GLN C C 13 174.869 0.1 A 172 GLN CA C 13 56.018 0.1 A 172 GLN CB C 13 28.173 0.1 A 172 GLN N N 15 124.057 0.1 A 173 GLN H H 1 9.023 0.01 A 173 GLN C C 13 174.953 0.1 A 173 GLN CA C 13 52.155 0.1 A 173 GLN CB C 13 29.415 0.1 A 173 GLN N N 15 124.328 0.1 A 174 HIS H H 1 8.227 0.01 A 174 HIS C C 13 173.103 0.1 A 174 HIS CA C 13 53.446 0.1 A 174 HIS CB C 13 29.681 0.1 A 174 HIS N N 15 115.629 0.1 A 175 ASP H H 1 8.964 0.01 A 175 ASP C C 13 175.013 0.1 A 175 ASP CA C 13 52.731 0.1 A 175 ASP CB C 13 45.111 0.1 A 175 ASP N N 15 120.615 0.1 A 176 SER H H 1 9.137 0.01 A 176 SER C C 13 173.496 0.1 A 176 SER CA C 13 57.697 0.1 A 176 SER CB C 13 62.757 0.1 A 176 SER N N 15 118.175 0.1 A 177 VAL H H 1 8.492 0.01 A 177 VAL C C 13 173.398 0.1 A 177 VAL CA C 13 60.277 0.1 A 177 VAL CB C 13 32.518 0.1 A 177 VAL N N 15 123.737 0.1 A 178 ARG H H 1 8.513 0.01 A 178 ARG C C 13 175.097 0.1 A 178 ARG CA C 13 54.017 0.1 A 178 ARG CB C 13 29.149 0.1 A 178 ARG N N 15 127.628 0.1 A 182 TRP H H 1 7.491 0.01 A 182 TRP HE1 H 1 10.420 0.01 A 182 TRP C C 13 176.613 0.1 A 182 TRP CA C 13 55.228 0.1 A 182 TRP CB C 13 31.809 0.1 A 182 TRP N N 15 115.616 0.1 A 182 TRP NE1 N 15 129.156 0.1 A 183 VAL H H 1 9.372 0.01 A 183 VAL CA C 13 58.628 0.1 A 183 VAL CB C 13 32.696 0.1 A 183 VAL N N 15 121.618 0.1 A 185 MET H H 1 9.615 0.01 A 185 MET C C 13 172.186 0.1 A 185 MET CA C 13 53.091 0.1 A 185 MET CB C 13 33.405 0.1 A 185 MET N N 15 129.032 0.1 A 186 PHE H H 1 7.976 0.01 A 186 PHE C C 13 174.816 0.1 A 186 PHE CA C 13 55.131 0.1 A 186 PHE CB C 13 40.588 0.1 A 186 PHE N N 15 124.085 0.1 A 187 SER H H 1 9.355 0.01 A 187 SER C C 13 171.305 0.1 A 187 SER CA C 13 57.348 0.1 A 187 SER CB C 13 66.127 0.1 A 187 SER N N 15 116.369 0.1 A 188 ALA H H 1 8.300 0.01 A 188 ALA C C 13 175.996 0.1 A 188 ALA CA C 13 49.085 0.1 A 188 ALA CB C 13 21.079 0.1 A 188 ALA N N 15 119.248 0.1 A 189 GLY H H 1 9.235 0.01 A 189 GLY C C 13 170.650 0.1 A 189 GLY CA C 13 44.046 0.1 A 189 GLY N N 15 104.914 0.1 A 190 TYR H H 1 8.865 0.01 A 190 TYR C C 13 173.608 0.1 A 190 TYR CA C 13 55.131 0.1 A 190 TYR CB C 13 42.362 0.1 A 190 TYR N N 15 121.149 0.1 A 191 ARG H H 1 7.469 0.01 A 191 ARG CA C 13 53.529 0.1 A 191 ARG CB C 13 29.947 0.1 A 191 ARG N N 15 125.697 0.1 A 192 PHE H H 1 7.915 0.01 A 192 PHE C C 13 180.696 0.1 A 192 PHE CA C 13 59.388 0.1 A 192 PHE CB C 13 38.815 0.1 A 192 PHE N N 15 126.625 0.1 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 5 GLY H A 6 GLU H 1.0 . 3.83 2 2 A 125 SER H A 126 ASP H 1.0 . 4.95 3 3 A 54 VAL H A 55 GLU H 1.0 . 5.00 4 4 A 97 PHE H A 98 ARG H 1.0 . 5.56 5 5 A 86 ALA H A 104 GLY H 1.0 . 5.56 6 6 A 86 ALA H A 85 MET H 1.0 . 5.61 7 7 A 10 ARG H A 43 THR H 1.0 . 3.62 8 8 A 35 THR H A 36 ASN H 1.0 . 4.90 9 9 A 145 ILE H A 146 ASN H 1.0 . 3.67 10 10 A 146 ASN H A 150 LEU H 1.0 . 5.31 11 11 A 146 ASN H A 147 ARG H 1.0 . 5.31 12 12 A 105 ILE H A 106 ASN H 1.0 . 5.46 13 13 A 104 GLY H A 105 ILE H 1.0 . 4.54 14 14 A 105 ILE H A 136 ALA H 1.0 . 4.49 15 15 A 85 MET H A 105 ILE H 1.0 . 5.97 16 16 A 49 THR H A 50 ASP H 1.0 . 4.95 17 17 A 50 ASP H A 4 ALA H 1.0 . 4.44 18 18 A 78 HIS H A 113 ASN H 1.0 . 6.02 19 19 A 119 GLY H A 122 ALA H 1.0 . 5.87 20 20 A 119 GLY H A 116 ASN H 1.0 . 3.88 21 21 A 98 ARG H A 144 LEU H 1.0 . 5.00 22 22 A 66 ILE H A 75 ALA H 1.0 . 4.34 23 23 A 58 ALA H A 59 ALA H 1.0 . 5.36 24 24 A 59 ALA H A 60 THR H 1.0 . 5.46 25 25 A 166 TYR H A 173 GLN H 1.0 . 3.98 26 26 A 173 GLN H A 168 LEU H 1.0 . 5.15 27 27 A 106 ASN H A 84 LEU H 1.0 . 5.97 28 28 A 85 MET H A 84 LEU H 1.0 . 5.71 29 29 A 84 LEU H A 57 LEU H 1.0 . 5.05 30 30 A 62 PHE H A 79 HIS H 1.0 . 4.49 31 31 A 71 THR H A 72 GLY H 1.0 . 4.18 32 32 A 130 LYS H A 131 ASP H 1.0 . 5.15 33 33 A 163 THR H A 164 ALA H 1.0 . 5.77 34 34 A 163 THR H A 162 THR H 1.0 . 5.31 35 35 A 59 ALA H A 83 THR H 1.0 . 6.12 36 36 A 84 LEU H A 83 THR H 1.0 . 6.12 37 37 A 162 THR H A 177 VAL H 1.0 . 4.03 38 38 A 122 ALA H A 124 LEU H 1.0 . 4.18 39 39 A 122 ALA H A 123 GLY H 1.0 . 3.88 40 40 A 23 GLY H A 24 GLY H 1.0 . 3.47 41 41 A 153 MET H A 154 SER H 1.0 . 5.21 42 42 A 133 TRP H A 161 ASP H 1.0 . 5.82 43 43 A 90 PHE H A 100 TYR H 1.0 . 5.36 44 44 A 100 TYR H A 140 GLY H 1.0 . 3.57 45 45 A 21 GLY H A 22 ALA H 1.0 . 4.03 46 46 A 106 ASN H A 107 TYR H 1.0 . 5.92 47 47 A 106 ASN H A 136 ALA H 1.0 . 5.82 48 48 A 106 ASN H A 134 GLY H 1.0 . 3.98 49 49 A 166 TYR H A 167 LYS H 1.0 . 5.31 50 50 A 167 LYS H A 127 LEU H 1.0 . 5.71 51 51 A 168 LEU H A 167 LYS H 1.0 . 5.26 52 52 A 146 ASN H A 148 ASP H 1.0 . 4.95 53 53 A 147 ARG H A 148 ASP H 1.0 . 4.08 54 54 A 43 THR H A 58 ALA H 1.0 . 5.61 55 55 A 58 ALA H A 83 THR H 1.0 . 6.12 56 56 A 58 ALA H A 57 LEU H 1.0 . 5.71 57 57 A 58 ALA H A 44 PHE H 1.0 . 6.33 58 58 A 58 ALA H A 42 LEU H 1.0 . 3.88 59 59 A 177 VAL H A 175 ASP H 1.0 . 5.87 60 60 A 164 ALA H A 175 ASP H 1.0 . 3.73 61 61 A 40 LEU H A 41 GLY H 1.0 . 5.51 62 62 A 41 GLY H A 12 GLY H 1.0 . 3.62 63 63 A 104 GLY H A 103 ALA H 1.0 . 5.00 64 64 A 136 ALA H A 103 ALA H 1.0 . 6.07 65 65 A 67 GLY H A 68 THR H 1.0 . 5.71 66 66 A 12 GLY H A 11 ALA H 1.0 . 4.59 67 67 A 45 THR H A 56 LEU H 1.0 . 5.41 68 68 A 85 MET H A 56 LEU H 1.0 . 5.56 69 69 A 80 LEU H A 109 THR H 1.0 . 4.13 70 70 A 153 MET H A 141 VAL H 1.0 . 3.78 71 71 A 141 VAL H A 142 ASP H 1.0 . 5.41 72 72 A 119 GLY H A 117 ASP H 1.0 . 4.70 73 73 A 45 THR H A 8 PHE H 1.0 . 3.78 74 74 A 104 GLY H A 136 ALA H 1.0 . 3.88 75 75 A 144 LEU H A 151 VAL H 1.0 . 5.61 76 76 A 151 VAL H A 143 TYR H 1.0 . 3.88 77 77 A 142 ASP H A 151 VAL H 1.0 . 6.84 78 78 A 109 THR H A 132 SER H 1.0 . 6.12 79 79 A 109 THR H A 108 THR H 1.0 . 5.31 80 80 A 5 GLY H A 47 MET H 1.0 . 4.49 81 81 A 47 MET H A 46 TYR H 1.0 . 4.90 82 82 A 91 GLY H A 92 ASP H 1.0 . 6.02 83 83 A 153 MET H A 152 ASN H 1.0 . 5.26 84 84 A 152 ASN H A 188 ALA H 1.0 . 5.61 85 85 A 132 SER H A 108 THR H 1.0 . 4.13 86 86 A 133 TRP H A 132 SER H 1.0 . 5.56 87 87 A 177 VAL H A 176 SER H 1.0 . 5.10 88 88 A 175 ASP H A 176 SER H 1.0 . 5.00 89 89 A 45 THR H A 46 TYR H 1.0 . 5.41 90 90 A 72 GLY H A 68 THR H 1.0 . 3.98 91 91 A 72 GLY H A 69 ARG H 1.0 . 5.41 92 92 A 173 GLN H A 174 HIS H 1.0 . 4.80 93 93 A 175 ASP H A 174 HIS H 1.0 . 4.59 94 94 A 164 ALA H A 174 HIS H 1.0 . 6.07 95 95 A 125 SER H A 127 LEU H 1.0 . 5.41 96 96 A 127 LEU H A 115 PHE H 1.0 . 4.95 97 97 A 127 LEU H A 128 SER H 1.0 . 5.87 98 98 A 191 ARG H A 192 PHE H 1.0 . 5.31 99 99 A 191 ARG H A 9 MET H 1.0 . 5.87 100 100 A 125 SER H A 167 LYS H 1.0 . 3.78 101 101 A 152 ASN H A 187 SER H 1.0 . 4.08 102 102 A 188 ALA H A 187 SER H 1.0 . 5.05 103 103 A 187 SER H A 186 PHE H 1.0 . 5.61 104 104 A 49 THR H A 48 ALA H 1.0 . 3.93 105 105 A 93 ALA H A 94 SER H 1.0 . 4.08 106 106 A 94 SER H A 95 SER H 1.0 . 4.54 107 107 A 69 ARG H A 31 GLY H 1.0 . 5.56 108 108 A 105 ILE H A 107 TYR H 1.0 . 5.77 109 109 A 83 THR H A 107 TYR H 1.0 . 6.38 110 110 A 154 SER H A 185 MET H 1.0 . 5.05 111 111 A 2 HIS H A 3 GLU H 1.0 . 4.24 112 112 A 136 ALA H A 135 ALA H 1.0 . 4.90 113 113 A 26 LEU H A 27 GLY H 1.0 . 3.67 114 114 A 6 GLU H A 47 MET H 1.0 . 4.13 115 115 A 122 ALA H A 121 GLU H 1.0 . 3.78 116 116 A 124 LEU H A 121 GLU H 1.0 . 5.05 117 117 A 123 GLY H A 121 GLU H 1.0 . 4.54 118 118 A 5 GLY H A 4 ALA H 1.0 . 5.26 119 119 A 4 ALA H A 3 GLU H 1.0 . 5.46 120 120 A 75 ALA H A 74 ILE H 1.0 . 4.24 121 121 A 66 ILE H A 74 ILE H 1.0 . 4.59 122 122 A 98 ARG H A 143 TYR H 1.0 . 5.82 123 123 A 144 LEU H A 143 TYR H 1.0 . 4.95 124 124 A 153 MET H A 143 TYR H 1.0 . 6.84 125 125 A 122 ALA H A 120 LYS H 1.0 . 4.49 126 126 A 117 ASP H A 120 LYS H 1.0 . 5.56 127 127 A 124 LEU H A 120 LYS H 1.0 . 6.43 128 128 A 123 GLY H A 120 LYS H 1.0 . 5.31 129 129 A 71 THR H A 70 ALA H 1.0 . 4.08 130 130 A 125 SER H A 124 LEU H 1.0 . 5.46 131 131 A 124 LEU H A 169 GLY H 1.0 . 6.02 132 132 A 88 TRP H A 101 VAL H 1.0 . 4.24 133 133 A 37 ASN H A 38 THR H 1.0 . 5.56 134 134 A 97 PHE H A 96 LYS H 1.0 . 3.98 135 135 A 97 PHE H A 95 SER H 1.0 . 5.87 136 136 A 166 TYR H A 128 SER H 1.0 . 6.28 137 137 A 128 SER H A 129 LEU H 1.0 . 5.46 138 138 A 128 SER H A 165 ASN H 1.0 . 3.78 139 139 A 49 THR H A 51 ASN H 1.0 . 4.80 140 140 A 50 ASP H A 51 ASN H 1.0 . 4.18 141 141 A 4 ALA H A 51 ASN H 1.0 . 5.51 142 142 A 51 ASN H A 52 ILE H 1.0 . 4.49 143 143 A 122 ALA H A 116 ASN H 1.0 . 4.03 144 144 A 125 SER H A 170 GLY H 1.0 . 5.41 145 145 A 169 GLY H A 170 GLY H 1.0 . 3.52 146 146 A 11 ALA H A 188 ALA H 1.0 . 3.93 147 147 A 55 GLU H A 85 MET H 1.0 . 3.67 148 148 A 17 ARG H A 182 TRP H 1.0 . 4.70 149 149 A 71 THR H A 69 ARG H 1.0 . 5.31 150 150 A 69 ARG H A 70 ALA H 1.0 . 3.98 151 151 A 71 THR H A 73 ASP H 1.0 . 5.51 152 152 A 72 GLY H A 73 ASP H 1.0 . 5.51 153 153 A 130 LYS H A 129 LEU H 1.0 . 5.71 154 154 A 130 LYS H A 164 ALA H 1.0 . 6.38 155 155 A 60 THR H A 40 LEU H 1.0 . 4.70 156 156 A 125 SER H A 168 LEU H 1.0 . 5.26 157 157 A 168 LEU H A 171 ALA H 1.0 . 3.22 158 158 A 168 LEU H A 169 GLY H 1.0 . 4.85 159 159 A 28 SER H A 29 LEU H 1.0 . 4.59 160 160 A 57 LEU H A 83 THR H 1.0 . 3.98 161 161 A 85 MET H A 57 LEU H 1.0 . 5.92 162 162 A 164 ALA H A 177 VAL H 1.0 . 5.10 163 163 A 191 ARG H A 190 TYR H 1.0 . 5.26 164 164 A 166 TYR H A 165 ASN H 1.0 . 5.41 165 165 A 129 LEU H A 165 ASN H 1.0 . 5.61 166 166 A 78 HIS H A 77 VAL H 1.0 . 5.51 167 167 A 133 TRP H A 134 GLY H 1.0 . 5.31 168 168 A 93 ALA H A 95 SER H 1.0 . 4.64 169 169 A 62 PHE H A 63 ARG H 1.0 . 5.61 170 170 A 79 HIS H A 63 ARG H 1.0 . 4.90 171 171 A 124 LEU H A 123 GLY H 1.0 . 3.83 172 172 A 54 VAL H A 46 TYR H 1.0 . 3.57 173 173 A 98 ARG H A 142 ASP H 1.0 . 4.03 174 174 A 153 MET H A 142 ASP H 1.0 . 5.26 175 175 A 142 ASP H A 143 TYR H 1.0 . 5.51 176 176 A 113 ASN H A 112 ASP H 1.0 . 4.08 177 177 A 53 GLY H A 87 GLN H 1.0 . 3.98 178 178 A 37 ASN H A 16 VAL H 1.0 . 4.64 179 179 A 173 GLN H A 171 ALA H 1.0 . 5.41 180 180 A 171 ALA H A 172 GLN H 1.0 . 4.80 181 181 A 170 GLY H A 171 ALA H 1.0 . 3.22 182 182 A 169 GLY H A 171 ALA H 1.0 . 4.29 183 183 A 26 LEU H A 25 THR H 1.0 . 3.32 184 184 A 125 SER H A 169 GLY H 1.0 . 5.46 185 185 A 90 PHE H A 101 VAL H 1.0 . 5.51 186 186 A 100 TYR H A 101 VAL H 1.0 . 3.78 187 187 A 140 GLY H A 101 VAL H 1.0 . 5.66 188 188 A 44 PHE H A 56 LEU H 1.0 . 3.73 189 189 A 49 THR H A 52 ILE H 1.0 . 4.64 190 190 A 50 ASP H A 52 ILE H 1.0 . 4.29 191 191 A 52 ILE H A 53 GLY H 1.0 . 5.05 192 192 A 59 ALA H A 42 LEU H 1.0 . 5.36 193 193 A 6 GLU H A 4 ALA H 1.0 . 5.31 194 194 A 23 GLY H A 22 ALA H 1.0 . 3.62 195 195 A 32 PHE H A 33 SER H 1.0 . 5.00 196 196 A 44 PHE H A 45 THR H 1.0 . 5.56 197 197 A 126 ASP H A 127 LEU H 1.0 . 3.98 198 198 A 15 THR H A 184 PHE H 1.0 . 4.90 199 199 A 156 TRP H A 183 VAL H 1.0 . 5.36 200 200 A 19 THR H A 20 GLU H 1.0 . 4.95 201 201 A 63 ARG H A 64 HIS H 1.0 . 5.56 202 202 A 102 GLY H A 138 GLN H 1.0 . 5.56 203 203 A 35 THR H A 65 LYS H 1.0 . 4.29 204 204 A 192 PHE H A 7 PHE H 1.0 . 4.90 205 205 A 9 MET H A 190 TYR H 1.0 . 4.08 206 206 A 78 HIS H A 112 ASP H 1.0 . 6.63 207 207 A 97 PHE H A 144 LEU H 1.0 . 6.28 208 208 A 130 LYS H A 163 THR H 1.0 . 3.98 209 209 A 154 SER H A 141 VAL H 1.0 . 5.56 210 210 A 150 LEU H A 189 GLY H 1.0 . 3.83 211 211 A 121 GLU H A 120 LYS H 1.0 . 3.98 212 212 A 186 PHE H A 13 SER H 1.0 . 4.39 213 213 A 6 GLU H A 3 GLU H 1.0 . 5.15 214 214 A 146 ASN H A 149 TRP H 1.0 . 4.29 215 215 A 76 THR H A 114 GLY H 1.0 . 3.32 216 216 A 116 ASN H A 120 LYS H 1.0 . 3.88 217 217 A 131 ASP H A 133 TRP HE1 1.0 . 7.50 218 218 A 148 ASP H A 149 TRP HE1 1.0 . 4.08 219 219 A 147 ARG H A 149 TRP HE1 1.0 . 7.50 220 220 A 182 TRP H A 182 TRP HE1 1.0 . 5.15 221 221 A 90 PHE H A 88 TRP HE1 1.0 . 5.97 222 222 A 101 VAL H A 88 TRP HE1 1.0 . 6.79 223 223 A 149 TRP H A 149 TRP HE1 1.0 . 5.41 224 224 A 133 TRP H A 133 TRP HE1 1.0 . 5.97 stop_ save_