data_nef_c19961_2mp2 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 2MP2 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 GLY start . false 2 A 2 THR middle . . 3 A 3 GLU middle . . 4 A 4 ASN middle . . 5 A 5 ASP middle . . 6 A 6 HIS middle . . 7 A 7 ILE middle . . 8 A 8 ASN middle . . 9 A 9 LEU middle . . 10 A 10 LYS middle . . 11 A 11 VAL middle . . 12 A 12 ALA middle . . 13 A 13 GLY middle . false 14 A 14 GLN middle . . 15 A 15 ASP middle . . 16 A 16 GLY middle . false 17 A 17 SER middle . . 18 A 18 VAL middle . . 19 A 19 VAL middle . . 20 A 20 GLN middle . . 21 A 21 PHE middle . . 22 A 22 LYS middle . . 23 A 23 ILE middle . . 24 A 24 LYS middle . . 25 A 25 ARG middle . . 26 A 26 HIS middle . . 27 A 27 THR middle . . 28 A 28 PRO middle . false 29 A 29 LEU middle . . 30 A 30 SER middle . . 31 A 31 LYS middle . . 32 A 32 LEU middle . . 33 A 33 MET middle . . 34 A 34 LYS middle . . 35 A 35 ALA middle . . 36 A 36 TYR middle . . 37 A 37 CYS middle . . 38 A 38 GLU middle . . 39 A 39 ARG middle . . 40 A 40 GLN middle . . 41 A 41 GLY middle . false 42 A 42 LEU middle . . 43 A 43 SER middle . . 44 A 44 MET middle . . 45 A 45 ARG middle . . 46 A 46 GLN middle . . 47 A 47 ILE middle . . 48 A 48 ARG middle . . 49 A 49 PHE middle . . 50 A 50 ARG middle . . 51 A 51 PHE middle . . 52 A 52 ASP middle . . 53 A 53 GLY middle . false 54 A 54 GLN middle . . 55 A 55 PRO middle . false 56 A 56 ILE middle . . 57 A 57 ASN middle . . 58 A 58 GLU middle . . 59 A 59 THR middle . . 60 A 60 ASP middle . . 61 A 61 THR middle . . 62 A 62 PRO middle . false 63 A 63 ALA middle . . 64 A 64 GLN middle . . 65 A 65 LEU middle . . 66 A 66 GLU middle . . 67 A 67 MET middle . . 68 A 68 GLU middle . . 69 A 69 ASP middle . . 70 A 70 GLU middle . . 71 A 71 ASP middle . . 72 A 72 THR middle . . 73 A 73 ILE middle . . 74 A 74 ASP middle . . 75 A 75 VAL middle . . 76 A 76 PHE middle . . 77 A 77 GLN middle . . 78 A 78 GLN middle . . 79 A 79 GLN middle . . 80 A 80 THR middle . . 81 A 81 GLY middle . false 82 A 82 GLY end . false 83 B 1 GLY start . false 84 B 2 SER middle . . 85 B 3 GLU middle . . 86 B 4 GLU middle . . 87 B 5 LYS middle . . 88 B 6 PRO middle . false 89 B 7 LYS middle . . 90 B 8 GLU middle . . 91 B 9 GLY middle . false 92 B 10 VAL middle . . 93 B 11 LYS middle . . 94 B 12 THR middle . . 95 B 13 GLU middle . . 96 B 14 ASN middle . . 97 B 15 ASP middle . . 98 B 16 HIS middle . . 99 B 17 ILE middle . . 100 B 18 ASN middle . . 101 B 19 LEU middle . . 102 B 20 LYS middle . . 103 B 21 VAL middle . . 104 B 22 ALA middle . . 105 B 23 GLY middle . false 106 B 24 GLN middle . . 107 B 25 ASP middle . . 108 B 26 GLY middle . false 109 B 27 SER middle . . 110 B 28 VAL middle . . 111 B 29 VAL middle . . 112 B 30 GLN middle . . 113 B 31 PHE middle . . 114 B 32 LYS middle . . 115 B 33 ILE middle . . 116 B 34 LYS middle . . 117 B 35 ARG middle . . 118 B 36 HIS middle . . 119 B 37 THR middle . . 120 B 38 PRO middle . false 121 B 39 LEU middle . . 122 B 40 SER middle . . 123 B 41 LYS middle . . 124 B 42 LEU middle . . 125 B 43 MET middle . . 126 B 44 LYS middle . . 127 B 45 ALA middle . . 128 B 46 TYR middle . . 129 B 47 CYS middle . . 130 B 48 GLU middle . . 131 B 49 ARG middle . . 132 B 50 GLN middle . . 133 B 51 GLY middle . false 134 B 52 LEU middle . . 135 B 53 SER middle . . 136 B 54 MET middle . . 137 B 55 ARG middle . . 138 B 56 GLN middle . . 139 B 57 ILE middle . . 140 B 58 ARG middle . . 141 B 59 PHE middle . . 142 B 60 ARG middle . . 143 B 61 PHE middle . . 144 B 62 ASP middle . . 145 B 63 GLY middle . false 146 B 64 GLN middle . . 147 B 65 PRO middle . false 148 B 66 ILE middle . . 149 B 67 ASN middle . . 150 B 68 GLU middle . . 151 B 69 THR middle . . 152 B 70 ASP middle . . 153 B 71 THR middle . . 154 B 72 PRO middle . false 155 B 73 ALA middle . . 156 B 74 GLN middle . . 157 B 75 LEU middle . . 158 B 76 GLU middle . . 159 B 77 MET middle . . 160 B 78 GLU middle . . 161 B 79 ASP middle . . 162 B 80 GLU middle . . 163 B 81 ASP middle . . 164 B 82 THR middle . . 165 B 83 ILE middle . . 166 B 84 ASP middle . . 167 B 85 VAL middle . . 168 B 86 PHE middle . . 169 B 87 GLN middle . . 170 B 88 GLN middle . . 171 B 89 GLN middle . . 172 B 90 THR end . . 173 C 2 THR start . . 174 C 3 VAL middle . . 175 C 4 GLY middle . false 176 C 5 ASP middle . . 177 C 6 GLU middle . . 178 C 7 ILE middle . . 179 C 8 VAL middle . . 180 C 9 ASP middle . . 181 C 10 LEU middle . . 182 C 11 THR middle . . 183 C 12 CYS middle . . 184 C 13 GLU middle . . 185 C 14 SER middle . . 186 C 15 LEU middle . . 187 C 16 GLU middle . . 188 C 17 PRO middle . false 189 C 18 VAL middle . . 190 C 19 VAL middle . . 191 C 20 VAL middle . . 192 C 21 ASP middle . . 193 C 22 LEU middle . . 194 C 23 THR middle . . 195 C 24 HIS middle . . 196 C 25 ASN middle . . 197 C 26 ASP 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 4 ASN HD21 H 1 7.629 0.000 A 4 ASN HD22 H 1 6.947 0.000 A 4 ASN ND2 N 15 112.678 0.000 A 6 HIS H H 1 8.106 0.000 A 6 HIS CD2 C 13 122.093 0.000 A 6 HIS N N 15 117.086 0.000 A 7 ILE HB H 1 1.633 0.000 A 7 ILE HD1% H 1 0.527 0.000 A 7 ILE HG1y H 1 1.401 0.000 A 7 ILE HG1x H 1 0.919 0.000 A 7 ILE HG2% H 1 0.760 0.000 A 7 ILE CD1 C 13 14.624 0.000 A 7 ILE CG1 C 13 26.673 0.000 A 7 ILE CG2 C 13 16.809 0.000 A 8 ASN HD21 H 1 2.568 0.000 A 8 ASN HD22 H 1 2.758 0.000 A 8 ASN ND2 N 15 114.473 0.000 A 9 LEU HA H 1 5.131 0.000 A 9 LEU HBy H 1 1.466 0.000 A 9 LEU HBx H 1 1.249 0.000 A 9 LEU HDx% H 1 0.691 0.000 A 9 LEU HDy% H 1 0.893 0.000 A 9 LEU HG H 1 1.460 0.000 A 9 LEU CB C 13 46.982 0.000 A 9 LEU CDy C 13 26.640 0.000 A 9 LEU CDx C 13 24.389 0.000 A 9 LEU CG C 13 27.200 0.000 A 10 LYS HBy H 1 1.978 0.000 A 10 LYS HBx H 1 1.604 0.000 A 10 LYS HD2 H 1 1.630 0.000 A 10 LYS HD3 H 1 1.630 0.000 A 10 LYS HEx H 1 2.908 0.000 A 10 LYS HEy H 1 2.928 0.000 A 10 LYS HGx H 1 1.277 0.000 A 10 LYS HGy H 1 1.321 0.000 A 10 LYS CD C 13 29.164 0.000 A 10 LYS CE C 13 42.018 0.000 A 10 LYS CG C 13 25.860 0.000 A 11 VAL HB H 1 2.067 0.000 A 11 VAL HGx% H 1 0.129 0.000 A 11 VAL HGy% H 1 0.796 0.000 A 11 VAL CGy C 13 22.540 0.000 A 11 VAL CGx C 13 21.752 0.000 A 12 ALA HB% H 1 1.436 0.000 A 13 GLY HAy H 1 4.629 0.000 A 13 GLY HAx H 1 3.840 0.000 A 14 GLN HE21 H 1 7.594 0.000 A 14 GLN HE22 H 1 6.970 0.000 A 14 GLN HGx H 1 2.480 0.000 A 14 GLN HGy H 1 2.502 0.000 A 14 GLN CG C 13 34.560 0.000 A 14 GLN NE2 N 15 113.755 0.000 A 16 GLY HAy H 1 4.338 0.000 A 16 GLY HAx H 1 3.785 0.000 A 17 SER HBy H 1 4.018 0.000 A 17 SER HBx H 1 3.986 0.000 A 18 VAL HB H 1 1.984 0.000 A 18 VAL HGx% H 1 0.992 0.000 A 18 VAL HGy% H 1 0.894 0.000 A 18 VAL CGy C 13 21.625 0.000 A 18 VAL CGx C 13 21.275 0.000 A 19 VAL HB H 1 2.134 0.000 A 19 VAL HGx% H 1 0.833 0.000 A 19 VAL HGy% H 1 1.106 0.000 A 19 VAL CGy C 13 22.503 0.000 A 19 VAL CGx C 13 21.633 0.000 A 20 GLN HE21 H 1 6.887 0.000 A 20 GLN HE22 H 1 7.382 0.000 A 20 GLN NE2 N 15 111.422 0.000 A 21 PHE HBy H 1 3.010 0.000 A 21 PHE HBx H 1 2.589 0.000 A 21 PHE HD1 H 1 7.250 0.000 A 21 PHE HD2 H 1 7.250 0.000 A 21 PHE CD1 C 13 132.500 0.000 A 21 PHE CD2 C 13 132.500 0.000 A 22 LYS HB2 H 1 1.635 0.000 A 22 LYS HB3 H 1 1.635 0.000 A 22 LYS HDy H 1 1.471 0.000 A 22 LYS HDx H 1 1.443 0.000 A 22 LYS HEy H 1 2.715 0.000 A 22 LYS HEx H 1 2.670 0.000 A 22 LYS HGy H 1 1.332 0.000 A 22 LYS HGx H 1 1.216 0.000 A 22 LYS CD C 13 29.127 0.000 A 22 LYS CE C 13 41.660 0.000 A 22 LYS CG C 13 25.013 0.000 A 23 ILE HA H 1 4.910 0.000 A 23 ILE HB H 1 1.867 0.000 A 23 ILE HD1% H 1 0.741 0.000 A 23 ILE HG1x H 1 1.343 0.000 A 23 ILE HG1y H 1 1.497 0.000 A 23 ILE HG2% H 1 0.839 0.000 A 23 ILE CB C 13 42.519 0.000 A 23 ILE CD1 C 13 14.533 0.000 A 23 ILE CG1 C 13 26.642 0.000 A 23 ILE CG2 C 13 16.664 0.000 A 24 LYS HDy H 1 1.593 0.000 A 24 LYS HDx H 1 1.571 0.000 A 24 LYS HEx H 1 2.910 0.000 A 24 LYS HEy H 1 2.930 0.000 A 24 LYS CD C 13 29.371 0.000 A 24 LYS CE C 13 42.024 0.000 A 25 ARG HDx H 1 3.179 0.000 A 25 ARG HDy H 1 3.211 0.000 A 25 ARG HE H 1 7.289 0.000 A 25 ARG HGx H 1 1.313 0.000 A 25 ARG HGy H 1 1.490 0.000 A 25 ARG CD C 13 43.063 0.000 A 25 ARG CG C 13 29.539 0.000 A 25 ARG NE N 15 107.114 0.000 A 26 HIS HA H 1 4.854 0.000 A 26 HIS HBy H 1 3.417 0.000 A 26 HIS HBx H 1 2.999 0.000 A 26 HIS HD1 H 1 7.053 0.000 A 26 HIS HD2 H 1 7.053 0.000 A 26 HIS CB C 13 29.205 0.000 A 26 HIS CD2 C 13 119.359 0.000 A 27 THR HB H 1 4.110 0.000 A 27 THR HG2% H 1 1.430 0.000 A 27 THR CG2 C 13 21.500 0.000 A 28 PRO HBy H 1 2.359 0.000 A 28 PRO HBx H 1 2.153 0.000 A 28 PRO HDy H 1 4.025 0.000 A 28 PRO HDx H 1 3.784 0.000 A 28 PRO HGx H 1 1.991 0.000 A 28 PRO HGy H 1 2.144 0.000 A 28 PRO CD C 13 51.118 0.000 A 28 PRO CG C 13 27.996 0.000 A 29 LEU HBx H 1 1.111 0.000 A 29 LEU HBy H 1 1.754 0.000 A 29 LEU HDx% H 1 0.614 0.000 A 29 LEU HDy% H 1 0.648 0.000 A 29 LEU HG H 1 1.563 0.000 A 29 LEU CDy C 13 26.549 0.000 A 29 LEU CDx C 13 24.637 0.000 A 29 LEU CG C 13 29.189 0.000 A 31 LYS HEy H 1 3.067 0.000 A 31 LYS HEx H 1 2.999 0.000 A 31 LYS HGy H 1 1.600 0.000 A 31 LYS HGx H 1 1.478 0.000 A 31 LYS CD C 13 29.094 0.000 A 31 LYS CE C 13 41.994 0.000 A 31 LYS CG C 13 25.466 0.000 A 32 LEU HDx% H 1 0.758 0.000 A 32 LEU HDy% H 1 0.241 0.000 A 32 LEU HG H 1 0.425 0.000 A 32 LEU CDy C 13 26.652 0.000 A 32 LEU CDx C 13 24.205 0.000 A 33 MET HBy H 1 1.740 0.000 A 33 MET HBx H 1 1.716 0.000 A 33 MET HE% H 1 1.540 0.000 A 33 MET HGy H 1 1.899 0.000 A 33 MET HGx H 1 0.350 0.000 A 33 MET CE C 13 87.600 0.000 A 33 MET CG C 13 31.448 0.000 A 36 TYR HE1 H 1 6.700 0.000 A 36 TYR HE2 H 1 6.700 0.000 A 36 TYR CD1 C 13 131.934 0.000 A 36 TYR CD2 C 13 131.934 0.000 A 37 CYS HBy H 1 3.237 0.000 A 37 CYS HBx H 1 3.151 0.000 A 38 GLU H H 1 8.349 0.000 A 38 GLU N N 15 118.899 0.000 A 39 ARG HDy H 1 3.221 0.000 A 39 ARG HDx H 1 3.196 0.000 A 39 ARG HGy H 1 1.846 0.000 A 39 ARG HGx H 1 1.825 0.000 A 39 ARG CD C 13 43.387 0.000 A 40 GLN HE21 H 1 6.760 0.000 A 40 GLN HE22 H 1 6.700 0.000 A 40 GLN HGx H 1 1.719 0.000 A 40 GLN HGy H 1 1.720 0.000 A 40 GLN CG C 13 33.511 0.000 A 40 GLN NE2 N 15 109.300 0.000 A 41 GLY HAy H 1 4.033 0.000 A 41 GLY HAx H 1 3.954 0.000 A 45 ARG HB2 H 1 1.853 0.000 A 45 ARG HB3 H 1 1.853 0.000 A 45 ARG HD2 H 1 3.271 0.000 A 45 ARG HD3 H 1 3.271 0.000 A 45 ARG HE H 1 7.378 0.000 A 45 ARG HG2 H 1 1.720 0.000 A 45 ARG HG3 H 1 1.720 0.000 A 45 ARG CD C 13 43.167 0.000 A 45 ARG CG C 13 27.277 0.000 A 45 ARG NE N 15 108.370 0.000 A 46 GLN HE21 H 1 6.927 0.000 A 46 GLN HE22 H 1 7.580 0.000 A 46 GLN HGy H 1 2.483 0.000 A 46 GLN HGx H 1 2.383 0.000 A 46 GLN CG C 13 34.823 0.000 A 46 GLN NE2 N 15 111.781 0.000 A 47 ILE HB H 1 1.712 0.000 A 47 ILE HD1% H 1 0.759 0.000 A 47 ILE HG1y H 1 0.717 0.000 A 47 ILE HG1x H 1 0.669 0.000 A 47 ILE HG2% H 1 1.234 0.000 A 47 ILE CD1 C 13 14.599 0.000 A 47 ILE CG1 C 13 25.811 0.000 A 47 ILE CG2 C 13 19.133 0.000 A 48 ARG HDy H 1 3.322 0.000 A 48 ARG HDx H 1 3.208 0.000 A 48 ARG CD C 13 43.074 0.000 A 49 PHE HE1 H 1 6.901 0.000 A 49 PHE HE2 H 1 6.901 0.000 A 49 PHE HZ H 1 7.258 0.000 A 49 PHE CD1 C 13 132.481 0.000 A 49 PHE CD2 C 13 132.481 0.000 A 49 PHE CE1 C 13 130.840 0.000 A 49 PHE CE2 C 13 130.840 0.000 A 49 PHE CZ C 13 129.747 0.000 A 50 ARG HDy H 1 2.783 0.000 A 50 ARG HDx H 1 2.754 0.000 A 50 ARG CD C 13 43.616 0.000 A 51 PHE HA H 1 5.357 0.000 A 51 PHE HBy H 1 3.000 0.000 A 51 PHE HBx H 1 2.875 0.000 A 51 PHE HD1 H 1 7.409 0.000 A 51 PHE HD2 H 1 7.409 0.000 A 51 PHE CB C 13 42.099 0.000 A 51 PHE CD1 C 13 131.934 0.000 A 51 PHE CD2 C 13 131.934 0.000 A 53 GLY HAy H 1 4.188 0.000 A 53 GLY HAx H 1 3.522 0.000 A 54 GLN HE21 H 1 7.527 0.000 A 54 GLN HE22 H 1 6.901 0.000 A 54 GLN NE2 N 15 112.140 0.000 A 56 ILE HB H 1 1.731 0.000 A 56 ILE HD1% H 1 0.699 0.000 A 56 ILE HG1y H 1 1.453 0.000 A 56 ILE HG1x H 1 0.926 0.000 A 56 ILE HG2% H 1 0.913 0.000 A 56 ILE CD1 C 13 14.980 0.000 A 56 ILE CG1 C 13 26.654 0.000 A 56 ILE CG2 C 13 19.542 0.000 A 57 ASN HBy H 1 2.834 0.000 A 57 ASN HBx H 1 2.697 0.000 A 57 ASN HD21 H 1 7.960 0.000 A 57 ASN HD22 H 1 6.964 0.000 A 57 ASN ND2 N 15 116.269 0.000 A 59 THR HB H 1 4.536 0.000 A 59 THR HG2% H 1 1.260 0.000 A 59 THR CG2 C 13 21.890 0.000 A 61 THR HB H 1 4.460 0.000 A 61 THR HG2% H 1 1.037 0.000 A 61 THR CG2 C 13 21.178 0.000 A 62 PRO HDx H 1 3.910 0.000 A 62 PRO HDy H 1 4.021 0.000 A 62 PRO HGy H 1 2.109 0.000 A 62 PRO HGx H 1 2.092 0.000 A 62 PRO CD C 13 51.237 0.000 A 62 PRO CG C 13 28.100 0.000 A 63 ALA HA H 1 4.114 0.000 A 63 ALA HB% H 1 1.087 0.000 A 63 ALA CB C 13 18.226 0.000 A 65 LEU H H 1 7.408 0.000 A 65 LEU HDx% H 1 0.850 0.000 A 65 LEU HDy% H 1 0.950 0.000 A 65 LEU HG H 1 1.732 0.000 A 65 LEU CDy C 13 26.185 0.000 A 65 LEU CDx C 13 22.179 0.000 A 65 LEU N N 15 116.978 0.000 A 66 GLU HBy H 1 2.357 0.000 A 66 GLU HBx H 1 2.241 0.000 A 66 GLU HGy H 1 2.226 0.000 A 66 GLU HGx H 1 2.195 0.000 A 66 GLU CG C 13 36.830 0.000 A 67 MET HE% H 1 1.580 0.000 A 67 MET HGy H 1 2.199 0.000 A 67 MET HGx H 1 1.375 0.000 A 67 MET CE C 13 88.200 0.000 A 67 MET CG C 13 33.505 0.000 A 69 ASP HBy H 1 2.725 0.000 A 69 ASP HBx H 1 2.677 0.000 A 70 GLU HGy H 1 2.346 0.000 A 70 GLU HGx H 1 2.110 0.000 A 70 GLU CG C 13 36.208 0.000 A 71 ASP HBy H 1 3.018 0.000 A 71 ASP HBx H 1 2.758 0.000 A 72 THR H H 1 8.396 0.000 A 72 THR HB H 1 4.012 0.000 A 72 THR HG2% H 1 1.147 0.000 A 72 THR CG2 C 13 22.340 0.000 A 72 THR N N 15 113.665 0.000 A 73 ILE HB H 1 1.820 0.000 A 73 ILE HD1% H 1 0.638 0.000 A 73 ILE HG1y H 1 1.671 0.000 A 73 ILE HG1x H 1 0.872 0.000 A 73 ILE HG2% H 1 0.992 0.000 A 73 ILE CD1 C 13 14.773 0.000 A 73 ILE CG1 C 13 28.288 0.000 A 73 ILE CG2 C 13 18.590 0.000 A 75 VAL HB H 1 1.570 0.000 A 75 VAL HGx% H 1 0.515 0.000 A 75 VAL HGy% H 1 0.370 0.000 A 75 VAL CGx C 13 21.384 0.000 A 75 VAL CGy C 13 22.106 0.000 A 76 PHE HD1 H 1 7.059 0.000 A 76 PHE HD2 H 1 7.059 0.000 A 76 PHE HE1 H 1 7.180 0.000 A 76 PHE HE2 H 1 7.180 0.000 A 76 PHE CD1 C 13 131.934 0.000 A 76 PHE CD2 C 13 131.934 0.000 A 76 PHE CE1 C 13 61.404 0.000 A 76 PHE CE2 C 13 61.404 0.000 A 77 GLN HE21 H 1 7.577 0.000 A 77 GLN HE22 H 1 6.747 0.000 A 77 GLN HG2 H 1 2.339 0.000 A 77 GLN HG3 H 1 2.339 0.000 A 77 GLN NE2 N 15 110.883 0.000 A 78 GLN HE21 H 1 7.368 0.000 A 78 GLN HE22 H 1 6.814 0.000 A 78 GLN NE2 N 15 111.422 0.000 A 79 GLN HE21 H 1 7.510 0.000 A 79 GLN HE22 H 1 6.846 0.000 A 79 GLN HGy H 1 2.421 0.000 A 79 GLN HGx H 1 2.420 0.000 A 79 GLN CG C 13 33.841 0.000 A 79 GLN NE2 N 15 112.140 0.000 A 80 THR HB H 1 4.293 0.000 A 80 THR HG2% H 1 1.248 0.000 A 80 THR CG2 C 13 21.591 0.000 A 81 GLY HAy H 1 4.061 0.000 A 81 GLY HAx H 1 4.014 0.000 A 82 GLY HAy H 1 4.030 0.000 A 82 GLY HAx H 1 3.890 0.000 B 1 GLY CA C 13 43.440 0.000 B 2 SER HA H 1 4.546 0.000 B 2 SER C C 13 174.463 0.000 B 2 SER CA C 13 58.692 0.000 B 2 SER CB C 13 63.482 0.000 B 3 GLU H H 1 8.745 0.000 B 3 GLU HA H 1 4.359 0.000 B 3 GLU HBy H 1 2.105 0.000 B 3 GLU HBx H 1 1.977 0.000 B 3 GLU HGy H 1 2.304 0.000 B 3 GLU HGx H 1 2.267 0.000 B 3 GLU C C 13 176.222 0.000 B 3 GLU CA C 13 56.680 0.000 B 3 GLU CB C 13 29.876 0.000 B 3 GLU CG C 13 36.312 0.000 B 3 GLU N N 15 122.768 0.000 B 4 GLU H H 1 8.341 0.000 B 4 GLU HA H 1 4.339 0.000 B 4 GLU HBy H 1 2.085 0.000 B 4 GLU HBx H 1 1.976 0.000 B 4 GLU HGx H 1 2.261 0.000 B 4 GLU HGy H 1 2.308 0.000 B 4 GLU C C 13 176.122 0.000 B 4 GLU CA C 13 56.628 0.000 B 4 GLU CB C 13 30.171 0.000 B 4 GLU CG C 13 36.403 0.000 B 4 GLU N N 15 122.107 0.000 B 5 LYS H H 1 8.310 0.000 B 5 LYS HA H 1 4.646 0.000 B 5 LYS HBx H 1 1.767 0.000 B 5 LYS HBy H 1 1.868 0.000 B 5 LYS HDy H 1 1.754 0.000 B 5 LYS HDx H 1 1.719 0.000 B 5 LYS HEy H 1 3.064 0.000 B 5 LYS HEx H 1 3.035 0.000 B 5 LYS HGx H 1 1.490 0.000 B 5 LYS HGy H 1 1.536 0.000 B 5 LYS C C 13 174.480 0.000 B 5 LYS CA C 13 54.397 0.000 B 5 LYS CB C 13 32.576 0.000 B 5 LYS CD C 13 29.104 0.000 B 5 LYS CE C 13 42.030 0.000 B 5 LYS CG C 13 24.553 0.000 B 5 LYS N N 15 123.917 0.000 B 6 PRO HA H 1 4.477 0.000 B 6 PRO HBy H 1 2.351 0.000 B 6 PRO HBx H 1 1.927 0.000 B 6 PRO HDy H 1 3.850 0.000 B 6 PRO HDx H 1 3.659 0.000 B 6 PRO HGy H 1 2.065 0.000 B 6 PRO HGx H 1 2.027 0.000 B 6 PRO C C 13 176.966 0.000 B 6 PRO CA C 13 63.114 0.000 B 6 PRO CB C 13 32.898 0.000 B 6 PRO CD C 13 50.773 0.000 B 6 PRO CG C 13 27.471 0.000 B 7 LYS H H 1 8.460 0.000 B 7 LYS HA H 1 4.319 0.000 B 7 LYS HBy H 1 1.860 0.000 B 7 LYS HBx H 1 1.794 0.000 B 7 LYS HD2 H 1 1.733 0.000 B 7 LYS HD3 H 1 1.733 0.000 B 7 LYS HE2 H 1 3.043 0.000 B 7 LYS HE3 H 1 3.043 0.000 B 7 LYS HGx H 1 1.493 0.000 B 7 LYS HGy H 1 1.531 0.000 B 7 LYS C C 13 176.622 0.000 B 7 LYS CA C 13 56.628 0.000 B 7 LYS CB C 13 33.113 0.000 B 7 LYS CD C 13 29.275 0.000 B 7 LYS CE C 13 42.344 0.000 B 7 LYS CG C 13 24.979 0.000 B 7 LYS N N 15 122.152 0.000 B 8 GLU H H 1 8.430 0.000 B 8 GLU HA H 1 4.359 0.000 B 8 GLU HBy H 1 2.099 0.000 B 8 GLU HBx H 1 1.977 0.000 B 8 GLU HGy H 1 2.304 0.000 B 8 GLU HGx H 1 2.263 0.000 B 8 GLU C C 13 176.883 0.000 B 8 GLU CA C 13 56.849 0.000 B 8 GLU CB C 13 30.392 0.000 B 8 GLU CG C 13 36.403 0.000 B 8 GLU N N 15 121.879 0.000 B 9 GLY H H 1 8.434 0.000 B 9 GLY HAy H 1 4.073 0.000 B 9 GLY HAx H 1 3.965 0.000 B 9 GLY C C 13 174.019 0.000 B 9 GLY CA C 13 45.426 0.000 B 9 GLY N N 15 110.130 0.000 B 10 VAL H H 1 7.917 0.000 B 10 VAL HA H 1 4.201 0.000 B 10 VAL HB H 1 2.114 0.000 B 10 VAL HGx% H 1 0.958 0.000 B 10 VAL HGy% H 1 0.933 0.000 B 10 VAL C C 13 176.142 0.000 B 10 VAL CA C 13 61.713 0.000 B 10 VAL CB C 13 32.677 0.000 B 10 VAL CGy C 13 21.142 0.000 B 10 VAL CGx C 13 20.509 0.000 B 10 VAL N N 15 118.971 0.000 B 11 LYS H H 1 8.410 0.000 B 11 LYS HA H 1 4.418 0.000 B 11 LYS HBy H 1 1.849 0.000 B 11 LYS HBx H 1 1.770 0.000 B 11 LYS HD2 H 1 1.526 0.000 B 11 LYS HD3 H 1 1.526 0.000 B 11 LYS HE2 H 1 3.206 0.000 B 11 LYS HE3 H 1 3.206 0.000 B 11 LYS HGy H 1 1.415 0.000 B 11 LYS HGx H 1 1.345 0.000 B 11 LYS C C 13 176.903 0.000 B 11 LYS CA C 13 56.849 0.000 B 11 LYS CB C 13 33.193 0.000 B 11 LYS CD C 13 30.737 0.000 B 11 LYS CE C 13 41.795 0.000 B 11 LYS CG C 13 25.254 0.000 B 11 LYS N N 15 125.201 0.000 B 12 THR H H 1 8.137 0.000 B 12 THR HA H 1 4.388 0.000 B 12 THR HB H 1 4.300 0.000 B 12 THR HG2% H 1 1.222 0.000 B 12 THR C C 13 174.560 0.000 B 12 THR CA C 13 61.861 0.000 B 12 THR CB C 13 69.894 0.000 B 12 THR CG2 C 13 21.598 0.000 B 12 THR N N 15 115.156 0.000 B 13 GLU H H 1 8.476 0.000 B 13 GLU HA H 1 4.359 0.000 B 13 GLU HBy H 1 2.105 0.000 B 13 GLU HBx H 1 1.977 0.000 B 13 GLU HGy H 1 2.301 0.000 B 13 GLU HGx H 1 2.268 0.000 B 13 GLU C C 13 176.142 0.000 B 13 GLU CA C 13 56.923 0.000 B 13 GLU CB C 13 30.245 0.000 B 13 GLU CG C 13 36.403 0.000 B 13 GLU N N 15 122.933 0.000 B 14 ASN H H 1 8.528 0.000 B 14 ASN HA H 1 4.900 0.000 B 14 ASN HBy H 1 2.941 0.000 B 14 ASN HBx H 1 2.764 0.000 B 14 ASN HD21 H 1 7.608 0.000 B 14 ASN HD22 H 1 6.834 0.000 B 14 ASN C C 13 174.940 0.000 B 14 ASN CA C 13 53.238 0.000 B 14 ASN CB C 13 39.015 0.000 B 14 ASN N N 15 120.087 0.000 B 14 ASN ND2 N 15 112.494 0.000 B 15 ASP H H 1 8.429 0.000 B 15 ASP HA H 1 4.703 0.000 B 15 ASP HBy H 1 2.735 0.000 B 15 ASP HBx H 1 2.695 0.000 B 15 ASP C C 13 175.781 0.000 B 15 ASP CA C 13 54.344 0.000 B 15 ASP CB C 13 41.226 0.000 B 15 ASP N N 15 120.404 0.000 B 16 HIS H H 1 8.102 0.000 B 16 HIS HA H 1 4.989 0.000 B 16 HIS HBy H 1 2.961 0.000 B 16 HIS HBx H 1 2.843 0.000 B 16 HIS HD1 H 1 6.610 0.000 B 16 HIS HD2 H 1 6.610 0.000 B 16 HIS C C 13 174.620 0.000 B 16 HIS CA C 13 56.923 0.000 B 16 HIS CB C 13 32.308 0.000 B 16 HIS CD2 C 13 122.639 0.000 B 16 HIS N N 15 117.390 0.000 B 17 ILE H H 1 9.119 0.000 B 17 ILE HA H 1 4.684 0.000 B 17 ILE HB H 1 1.671 0.000 B 17 ILE HD1% H 1 0.526 0.000 B 17 ILE HG1x H 1 0.918 0.000 B 17 ILE HG1y H 1 1.398 0.000 B 17 ILE HG2% H 1 0.768 0.000 B 17 ILE C C 13 172.698 0.000 B 17 ILE CA C 13 60.018 0.000 B 17 ILE CB C 13 42.257 0.000 B 17 ILE CD1 C 13 14.561 0.000 B 17 ILE CG1 C 13 26.646 0.000 B 17 ILE CG2 C 13 17.028 0.000 B 17 ILE N N 15 117.630 0.000 B 18 ASN H H 1 8.987 0.000 B 18 ASN HA H 1 5.520 0.000 B 18 ASN HBy H 1 2.764 0.000 B 18 ASN HBx H 1 2.567 0.000 B 18 ASN HD21 H 1 8.060 0.000 B 18 ASN HD22 H 1 6.760 0.000 B 18 ASN C C 13 174.620 0.000 B 18 ASN CA C 13 52.428 0.000 B 18 ASN CB C 13 40.562 0.000 B 18 ASN N N 15 122.933 0.000 B 18 ASN ND2 N 15 114.470 0.000 B 19 LEU H H 1 9.040 0.000 B 19 LEU HA H 1 5.146 0.000 B 19 LEU HBy H 1 1.465 0.000 B 19 LEU HBx H 1 1.258 0.000 B 19 LEU HDx% H 1 0.682 0.000 B 19 LEU HDy% H 1 0.887 0.000 B 19 LEU HG H 1 1.457 0.000 B 19 LEU C C 13 175.821 0.000 B 19 LEU CA C 13 53.017 0.000 B 19 LEU CB C 13 46.900 0.000 B 19 LEU CDy C 13 26.485 0.000 B 19 LEU CDx C 13 24.391 0.000 B 19 LEU CG C 13 26.776 0.000 B 19 LEU N N 15 123.398 0.000 B 20 LYS H H 1 8.652 0.000 B 20 LYS HA H 1 4.975 0.000 B 20 LYS HBy H 1 1.965 0.000 B 20 LYS HBx H 1 1.591 0.000 B 20 LYS HDx H 1 1.639 0.000 B 20 LYS HDy H 1 1.643 0.000 B 20 LYS HEy H 1 2.940 0.000 B 20 LYS HEx H 1 2.912 0.000 B 20 LYS HGy H 1 1.332 0.000 B 20 LYS HGx H 1 1.282 0.000 B 20 LYS C C 13 175.181 0.000 B 20 LYS CA C 13 55.302 0.000 B 20 LYS CB C 13 34.740 0.000 B 20 LYS CD C 13 29.275 0.000 B 20 LYS CE C 13 42.144 0.000 B 20 LYS CG C 13 25.985 0.000 B 20 LYS N N 15 120.336 0.000 B 21 VAL H H 1 9.168 0.000 B 21 VAL HA H 1 4.959 0.000 B 21 VAL HB H 1 2.075 0.000 B 21 VAL HGx% H 1 0.124 0.000 B 21 VAL HGy% H 1 0.795 0.000 B 21 VAL C C 13 175.381 0.000 B 21 VAL CA C 13 61.419 0.000 B 21 VAL CB C 13 32.603 0.000 B 21 VAL CGy C 13 22.420 0.000 B 21 VAL CGx C 13 21.781 0.000 B 21 VAL N N 15 121.649 0.000 B 22 ALA H H 1 9.283 0.000 B 22 ALA HA H 1 5.333 0.000 B 22 ALA HB% H 1 1.465 0.000 B 22 ALA C C 13 176.943 0.000 B 22 ALA CA C 13 51.027 0.000 B 22 ALA CB C 13 21.254 0.000 B 22 ALA N N 15 109.870 0.000 B 23 GLY H H 1 8.641 0.000 B 23 GLY HAy H 1 4.644 0.000 B 23 GLY HAx H 1 3.867 0.000 B 23 GLY C C 13 175.982 0.000 B 23 GLY CA C 13 44.026 0.000 B 23 GLY N N 15 109.761 0.000 B 24 GLN H H 1 8.962 0.000 B 24 GLN HA H 1 4.250 0.000 B 24 GLN HBy H 1 2.272 0.000 B 24 GLN HBx H 1 2.107 0.000 B 24 GLN HE21 H 1 7.583 0.000 B 24 GLN HE22 H 1 6.962 0.000 B 24 GLN HGy H 1 2.513 0.000 B 24 GLN HGx H 1 2.471 0.000 B 24 GLN C C 13 175.962 0.000 B 24 GLN CA C 13 57.955 0.000 B 24 GLN CB C 13 28.771 0.000 B 24 GLN CG C 13 34.644 0.000 B 24 GLN N N 15 120.686 0.000 B 24 GLN NE2 N 15 113.572 0.000 B 25 ASP H H 1 8.323 0.000 B 25 ASP HA H 1 4.575 0.000 B 25 ASP HBy H 1 3.109 0.000 B 25 ASP HBx H 1 2.725 0.000 B 25 ASP C C 13 176.883 0.000 B 25 ASP CA C 13 53.091 0.000 B 25 ASP CB C 13 40.194 0.000 B 25 ASP N N 15 116.929 0.000 B 26 GLY H H 1 7.913 0.000 B 26 GLY HAy H 1 4.359 0.000 B 26 GLY HAx H 1 3.817 0.000 B 26 GLY C C 13 174.380 0.000 B 26 GLY CA C 13 45.279 0.000 B 26 GLY N N 15 108.253 0.000 B 27 SER H H 1 8.012 0.000 B 27 SER HA H 1 4.408 0.000 B 27 SER HBy H 1 3.995 0.000 B 27 SER HBx H 1 3.935 0.000 B 27 SER C C 13 174.480 0.000 B 27 SER CA C 13 58.471 0.000 B 27 SER CB C 13 64.293 0.000 B 27 SER N N 15 116.844 0.000 B 28 VAL H H 1 8.523 0.000 B 28 VAL HA H 1 5.058 0.000 B 28 VAL HB H 1 1.986 0.000 B 28 VAL HGx% H 1 0.992 0.000 B 28 VAL HGy% H 1 0.893 0.000 B 28 VAL C C 13 175.501 0.000 B 28 VAL CA C 13 62.008 0.000 B 28 VAL CB C 13 35.109 0.000 B 28 VAL CGy C 13 21.974 0.000 B 28 VAL CGx C 13 21.189 0.000 B 28 VAL N N 15 122.467 0.000 B 29 VAL H H 1 8.635 0.000 B 29 VAL HA H 1 4.400 0.000 B 29 VAL HB H 1 2.131 0.000 B 29 VAL HGx% H 1 0.840 0.000 B 29 VAL HGy% H 1 1.124 0.000 B 29 VAL C C 13 174.300 0.000 B 29 VAL CA C 13 61.566 0.000 B 29 VAL CB C 13 35.035 0.000 B 29 VAL CGy C 13 22.641 0.000 B 29 VAL CGx C 13 21.640 0.000 B 29 VAL N N 15 126.958 0.000 B 30 GLN H H 1 8.447 0.000 B 30 GLN HA H 1 5.274 0.000 B 30 GLN HBy H 1 2.124 0.000 B 30 GLN HBx H 1 1.888 0.000 B 30 GLN HE21 H 1 7.376 0.000 B 30 GLN HE22 H 1 6.886 0.000 B 30 GLN HGy H 1 2.253 0.000 B 30 GLN HGx H 1 2.181 0.000 B 30 GLN C C 13 174.800 0.000 B 30 GLN CA C 13 55.375 0.000 B 30 GLN CB C 13 30.908 0.000 B 30 GLN CG C 13 34.587 0.000 B 30 GLN N N 15 125.091 0.000 B 30 GLN NE2 N 15 111.595 0.000 B 31 PHE H H 1 9.108 0.000 B 31 PHE HA H 1 4.763 0.000 B 31 PHE HBx H 1 2.583 0.000 B 31 PHE HBy H 1 3.008 0.000 B 31 PHE HD1 H 1 7.270 0.000 B 31 PHE HD2 H 1 7.270 0.000 B 31 PHE C C 13 173.619 0.000 B 31 PHE CA C 13 57.586 0.000 B 31 PHE CB C 13 44.910 0.000 B 31 PHE CD1 C 13 132.481 0.000 B 31 PHE CD2 C 13 132.481 0.000 B 31 PHE N N 15 121.155 0.000 B 32 LYS H H 1 8.470 0.000 B 32 LYS HA H 1 5.392 0.000 B 32 LYS HBy H 1 1.691 0.000 B 32 LYS HBx H 1 1.642 0.000 B 32 LYS HDy H 1 1.471 0.000 B 32 LYS HDx H 1 1.449 0.000 B 32 LYS HEy H 1 2.720 0.000 B 32 LYS HEx H 1 2.687 0.000 B 32 LYS HGy H 1 1.333 0.000 B 32 LYS HGx H 1 1.223 0.000 B 32 LYS C C 13 176.142 0.000 B 32 LYS CA C 13 55.597 0.000 B 32 LYS CB C 13 33.856 0.000 B 32 LYS CD C 13 29.191 0.000 B 32 LYS CE C 13 41.745 0.000 B 32 LYS CG C 13 24.917 0.000 B 32 LYS N N 15 123.003 0.000 B 33 ILE H H 1 8.939 0.000 B 33 ILE HA H 1 4.893 0.000 B 33 ILE HB H 1 1.878 0.000 B 33 ILE HD1% H 1 0.725 0.000 B 33 ILE HG1y H 1 1.495 0.000 B 33 ILE HG1x H 1 1.330 0.000 B 33 ILE HG2% H 1 0.837 0.000 B 33 ILE C C 13 173.739 0.000 B 33 ILE CA C 13 59.502 0.000 B 33 ILE CB C 13 42.331 0.000 B 33 ILE CD1 C 13 14.552 0.000 B 33 ILE CG1 C 13 26.630 0.000 B 33 ILE CG2 C 13 16.633 0.000 B 33 ILE N N 15 122.310 0.000 B 34 LYS H H 1 8.210 0.000 B 34 LYS HA H 1 4.585 0.000 B 34 LYS HBy H 1 1.868 0.000 B 34 LYS HBx H 1 1.790 0.000 B 34 LYS HDy H 1 1.593 0.000 B 34 LYS HDx H 1 1.575 0.000 B 34 LYS HEy H 1 2.935 0.000 B 34 LYS HEx H 1 2.910 0.000 B 34 LYS HGx H 1 0.861 0.000 B 34 LYS HGy H 1 1.294 0.000 B 34 LYS C C 13 178.545 0.000 B 34 LYS CA C 13 56.997 0.000 B 34 LYS CB C 13 32.382 0.000 B 34 LYS CD C 13 29.383 0.000 B 34 LYS CE C 13 42.029 0.000 B 34 LYS CG C 13 26.046 0.000 B 34 LYS N N 15 123.261 0.000 B 35 ARG H H 1 8.307 0.000 B 35 ARG HA H 1 3.660 0.000 B 35 ARG HBy H 1 1.594 0.000 B 35 ARG HBx H 1 1.496 0.000 B 35 ARG HDy H 1 3.221 0.000 B 35 ARG HDx H 1 3.172 0.000 B 35 ARG HGx H 1 1.324 0.000 B 35 ARG HGy H 1 1.485 0.000 B 35 ARG C C 13 175.741 0.000 B 35 ARG CA C 13 59.945 0.000 B 35 ARG CB C 13 30.392 0.000 B 35 ARG CD C 13 42.996 0.000 B 35 ARG CG C 13 29.495 0.000 B 35 ARG N N 15 118.129 0.000 B 36 HIS H H 1 7.695 0.000 B 36 HIS HA H 1 4.851 0.000 B 36 HIS HBy H 1 3.394 0.000 B 36 HIS HBx H 1 2.990 0.000 B 36 HIS HD1 H 1 7.045 0.000 B 36 HIS HD2 H 1 7.045 0.000 B 36 HIS C C 13 174.520 0.000 B 36 HIS CA C 13 54.933 0.000 B 36 HIS CB C 13 29.434 0.000 B 36 HIS CD2 C 13 119.359 0.000 B 36 HIS N N 15 111.553 0.000 B 37 THR H H 1 7.368 0.000 B 37 THR HA H 1 4.600 0.000 B 37 THR HB H 1 4.110 0.000 B 37 THR HG2% H 1 1.448 0.000 B 37 THR C C 13 170.935 0.000 B 37 THR CA C 13 61.050 0.000 B 37 THR CB C 13 70.926 0.000 B 37 THR CG2 C 13 21.617 0.000 B 37 THR N N 15 121.061 0.000 B 38 PRO HA H 1 4.329 0.000 B 38 PRO HBy H 1 2.370 0.000 B 38 PRO HBx H 1 2.154 0.000 B 38 PRO HDx H 1 3.661 0.000 B 38 PRO HDy H 1 3.853 0.000 B 38 PRO HGy H 1 2.153 0.000 B 38 PRO HGx H 1 1.997 0.000 B 38 PRO C C 13 178.405 0.000 B 38 PRO CA C 13 62.819 0.000 B 38 PRO CB C 13 32.161 0.000 B 38 PRO CD C 13 51.201 0.000 B 38 PRO CG C 13 27.921 0.000 B 39 LEU H H 1 9.055 0.000 B 39 LEU HA H 1 3.837 0.000 B 39 LEU HBy H 1 1.722 0.000 B 39 LEU HBx H 1 1.721 0.000 B 39 LEU HDx% H 1 0.615 0.000 B 39 LEU HDy% H 1 0.649 0.000 B 39 LEU HG H 1 1.565 0.000 B 39 LEU C C 13 177.524 0.000 B 39 LEU CA C 13 57.513 0.000 B 39 LEU CB C 13 41.815 0.000 B 39 LEU CDy C 13 26.555 0.000 B 39 LEU CDx C 13 24.553 0.000 B 39 LEU CG C 13 29.104 0.000 B 39 LEU N N 15 122.577 0.000 B 40 SER H H 1 8.402 0.000 B 40 SER HA H 1 4.406 0.000 B 40 SER HBx H 1 4.228 0.000 B 40 SER HBy H 1 4.260 0.000 B 40 SER C C 13 176.105 0.000 B 40 SER CA C 13 61.566 0.000 B 40 SER CB C 13 61.713 0.000 B 40 SER N N 15 115.800 0.000 B 41 LYS H H 1 7.726 0.000 B 41 LYS HA H 1 4.034 0.000 B 41 LYS HBy H 1 1.927 0.000 B 41 LYS HBx H 1 1.806 0.000 B 41 LYS HDx H 1 1.722 0.000 B 41 LYS HDy H 1 1.762 0.000 B 41 LYS HEy H 1 3.072 0.000 B 41 LYS HEx H 1 3.005 0.000 B 41 LYS HGy H 1 1.595 0.000 B 41 LYS HGx H 1 1.470 0.000 B 41 LYS C C 13 179.086 0.000 B 41 LYS CA C 13 60.018 0.000 B 41 LYS CB C 13 32.161 0.000 B 41 LYS CD C 13 29.230 0.000 B 41 LYS CE C 13 42.009 0.000 B 41 LYS CG C 13 25.490 0.000 B 41 LYS N N 15 119.662 0.000 B 42 LEU H H 1 6.945 0.000 B 42 LEU HA H 1 3.650 0.000 B 42 LEU HBy H 1 1.470 0.000 B 42 LEU HBx H 1 1.390 0.000 B 42 LEU HDx% H 1 0.759 0.000 B 42 LEU HDy% H 1 0.242 0.000 B 42 LEU HG H 1 0.424 0.000 B 42 LEU C C 13 177.323 0.000 B 42 LEU CA C 13 57.955 0.000 B 42 LEU CB C 13 42.110 0.000 B 42 LEU CDy C 13 26.596 0.000 B 42 LEU CDx C 13 24.131 0.000 B 42 LEU CG C 13 27.404 0.000 B 42 LEU N N 15 121.659 0.000 B 43 MET H H 1 8.255 0.000 B 43 MET HA H 1 3.345 0.000 B 43 MET HBx H 1 1.741 0.000 B 43 MET HBy H 1 1.750 0.000 B 43 MET HE% H 1 1.535 0.000 B 43 MET HGx H 1 1.922 0.000 B 43 MET HGy H 1 1.927 0.000 B 43 MET C C 13 177.864 0.000 B 43 MET CA C 13 59.786 0.000 B 43 MET CB C 13 32.898 0.000 B 43 MET CE C 13 17.601 0.000 B 43 MET CG C 13 31.527 0.000 B 43 MET N N 15 119.058 0.000 B 44 LYS H H 1 8.250 0.000 B 44 LYS HA H 1 4.044 0.000 B 44 LYS HBy H 1 1.927 0.000 B 44 LYS HBx H 1 1.880 0.000 B 44 LYS HDx H 1 1.718 0.000 B 44 LYS HDy H 1 1.770 0.000 B 44 LYS HEx H 1 3.003 0.000 B 44 LYS HEy H 1 3.066 0.000 B 44 LYS HGy H 1 1.601 0.000 B 44 LYS HGx H 1 1.481 0.000 B 44 LYS C C 13 178.665 0.000 B 44 LYS CA C 13 60.092 0.000 B 44 LYS CB C 13 32.456 0.000 B 44 LYS CD C 13 29.275 0.000 B 44 LYS CE C 13 41.978 0.000 B 44 LYS CG C 13 25.528 0.000 B 44 LYS N N 15 118.557 0.000 B 45 ALA H H 1 7.513 0.000 B 45 ALA HA H 1 4.300 0.000 B 45 ALA HB% H 1 1.583 0.000 B 45 ALA C C 13 180.728 0.000 B 45 ALA CA C 13 55.228 0.000 B 45 ALA CB C 13 18.674 0.000 B 45 ALA N N 15 121.610 0.000 B 46 TYR H H 1 8.829 0.000 B 46 TYR HA H 1 4.146 0.000 B 46 TYR HBy H 1 3.323 0.000 B 46 TYR HBx H 1 3.077 0.000 B 46 TYR HD1 H 1 7.132 0.000 B 46 TYR HD2 H 1 7.132 0.000 B 46 TYR HE1 H 1 7.286 0.000 B 46 TYR HE2 H 1 7.286 0.000 B 46 TYR C C 13 177.043 0.000 B 46 TYR CA C 13 63.114 0.000 B 46 TYR CB C 13 38.425 0.000 B 46 TYR CD1 C 13 132.481 0.000 B 46 TYR CD2 C 13 132.481 0.000 B 46 TYR CE1 C 13 130.840 0.000 B 46 TYR CE2 C 13 130.840 0.000 B 46 TYR N N 15 119.931 0.000 B 47 CYS H H 1 8.383 0.000 B 47 CYS HA H 1 3.837 0.000 B 47 CYS HBy H 1 3.227 0.000 B 47 CYS HBx H 1 3.138 0.000 B 47 CYS C C 13 177.263 0.000 B 47 CYS CA C 13 65.767 0.000 B 47 CYS CB C 13 26.339 0.000 B 47 CYS N N 15 117.057 0.000 B 48 GLU H H 1 8.350 0.000 B 48 GLU HA H 1 4.113 0.000 B 48 GLU HBx H 1 2.123 0.000 B 48 GLU HBy H 1 2.213 0.000 B 48 GLU HGy H 1 2.488 0.000 B 48 GLU HGx H 1 2.315 0.000 B 48 GLU C C 13 179.266 0.000 B 48 GLU CA C 13 59.429 0.000 B 48 GLU CB C 13 29.581 0.000 B 48 GLU CG C 13 36.659 0.000 B 48 GLU N N 15 118.880 0.000 B 49 ARG H H 1 8.012 0.000 B 49 ARG HA H 1 4.123 0.000 B 49 ARG HBy H 1 2.055 0.000 B 49 ARG HBx H 1 2.026 0.000 B 49 ARG HDy H 1 3.242 0.000 B 49 ARG HDx H 1 3.211 0.000 B 49 ARG HGy H 1 1.852 0.000 B 49 ARG HGx H 1 1.810 0.000 B 49 ARG C C 13 178.064 0.000 B 49 ARG CA C 13 58.416 0.000 B 49 ARG CB C 13 30.245 0.000 B 49 ARG CD C 13 43.434 0.000 B 49 ARG CG C 13 26.978 0.000 B 49 ARG N N 15 119.453 0.000 B 50 GLN H H 1 7.754 0.000 B 50 GLN HA H 1 4.324 0.000 B 50 GLN HBy H 1 2.105 0.000 B 50 GLN HBx H 1 1.445 0.000 B 50 GLN HE21 H 1 6.761 0.000 B 50 GLN HE22 H 1 6.689 0.000 B 50 GLN HGy H 1 1.754 0.000 B 50 GLN HGx H 1 1.705 0.000 B 50 GLN C C 13 176.202 0.000 B 50 GLN CA C 13 54.860 0.000 B 50 GLN CB C 13 30.539 0.000 B 50 GLN CG C 13 33.533 0.000 B 50 GLN N N 15 112.732 0.000 B 50 GLN NE2 N 15 109.259 0.000 B 51 GLY H H 1 7.752 0.000 B 51 GLY HAy H 1 4.024 0.000 B 51 GLY HAx H 1 3.955 0.000 B 51 GLY C C 13 174.620 0.000 B 51 GLY CA C 13 47.048 0.000 B 51 GLY N N 15 109.755 0.000 B 52 LEU H H 1 8.051 0.000 B 52 LEU HA H 1 4.703 0.000 B 52 LEU HBy H 1 1.540 0.000 B 52 LEU HBx H 1 1.435 0.000 B 52 LEU HDx% H 1 0.892 0.000 B 52 LEU HDy% H 1 0.860 0.000 B 52 LEU HG H 1 1.427 0.000 B 52 LEU C C 13 175.962 0.000 B 52 LEU CA C 13 53.091 0.000 B 52 LEU CB C 13 45.942 0.000 B 52 LEU CDy C 13 26.331 0.000 B 52 LEU CDx C 13 22.518 0.000 B 52 LEU CG C 13 26.469 0.000 B 52 LEU N N 15 119.092 0.000 B 53 SER H H 1 8.484 0.000 B 53 SER HA H 1 4.782 0.000 B 53 SER HBy H 1 4.010 0.000 B 53 SER HBx H 1 3.847 0.000 B 53 SER C C 13 175.962 0.000 B 53 SER CA C 13 56.628 0.000 B 53 SER CB C 13 64.514 0.000 B 53 SER N N 15 114.615 0.000 B 54 MET H H 1 8.935 0.000 B 54 MET HA H 1 4.398 0.000 B 54 MET HBy H 1 2.797 0.000 B 54 MET HBx H 1 2.764 0.000 B 54 MET HE% H 1 2.134 0.000 B 54 MET HGy H 1 2.213 0.000 B 54 MET HGx H 1 2.164 0.000 B 54 MET C C 13 177.403 0.000 B 54 MET CA C 13 58.250 0.000 B 54 MET CB C 13 32.677 0.000 B 54 MET CE C 13 17.115 0.000 B 54 MET CG C 13 33.023 0.000 B 54 MET N N 15 126.109 0.000 B 55 ARG H H 1 8.006 0.000 B 55 ARG HA H 1 4.329 0.000 B 55 ARG HBy H 1 1.977 0.000 B 55 ARG HBx H 1 1.839 0.000 B 55 ARG HDy H 1 3.282 0.000 B 55 ARG HDx H 1 3.247 0.000 B 55 ARG HGy H 1 1.717 0.000 B 55 ARG HGx H 1 1.697 0.000 B 55 ARG C C 13 177.363 0.000 B 55 ARG CA C 13 57.881 0.000 B 55 ARG CB C 13 30.171 0.000 B 55 ARG CD C 13 43.063 0.000 B 55 ARG CG C 13 27.174 0.000 B 55 ARG N N 15 114.361 0.000 B 56 GLN H H 1 7.826 0.000 B 56 GLN HA H 1 4.516 0.000 B 56 GLN HBy H 1 2.447 0.000 B 56 GLN HBx H 1 2.202 0.000 B 56 GLN HE21 H 1 2.387 0.000 B 56 GLN HE22 H 1 2.481 0.000 B 56 GLN HGx H 1 2.368 0.000 B 56 GLN HGy H 1 2.485 0.000 B 56 GLN C C 13 175.181 0.000 B 56 GLN CA C 13 56.333 0.000 B 56 GLN CB C 13 30.982 0.000 B 56 GLN CG C 13 34.930 0.000 B 56 GLN N N 15 115.649 0.000 B 56 GLN NE2 N 15 111.775 0.000 B 57 ILE H H 1 7.335 0.000 B 57 ILE HA H 1 4.999 0.000 B 57 ILE HB H 1 1.711 0.000 B 57 ILE HD1% H 1 0.759 0.000 B 57 ILE HG1x H 1 1.232 0.000 B 57 ILE HG1y H 1 1.251 0.000 B 57 ILE HG2% H 1 0.691 0.000 B 57 ILE C C 13 174.240 0.000 B 57 ILE CA C 13 59.060 0.000 B 57 ILE CB C 13 41.373 0.000 B 57 ILE CD1 C 13 14.465 0.000 B 57 ILE CG1 C 13 25.754 0.000 B 57 ILE CG2 C 13 19.194 0.000 B 57 ILE N N 15 115.164 0.000 B 58 ARG H H 1 8.469 0.000 B 58 ARG HA H 1 4.644 0.000 B 58 ARG HBy H 1 1.760 0.000 B 58 ARG HBx H 1 1.337 0.000 B 58 ARG HDy H 1 3.318 0.000 B 58 ARG HDx H 1 3.210 0.000 B 58 ARG HGy H 1 1.559 0.000 B 58 ARG HGx H 1 1.525 0.000 B 58 ARG C C 13 173.739 0.000 B 58 ARG CA C 13 54.270 0.000 B 58 ARG CB C 13 33.487 0.000 B 58 ARG CD C 13 43.050 0.000 B 58 ARG CG C 13 26.845 0.000 B 58 ARG N N 15 121.208 0.000 B 59 PHE H H 1 9.009 0.000 B 59 PHE HA H 1 5.402 0.000 B 59 PHE HBy H 1 2.951 0.000 B 59 PHE HBx H 1 2.675 0.000 B 59 PHE HD1 H 1 7.102 0.000 B 59 PHE HD2 H 1 7.102 0.000 B 59 PHE HE1 H 1 6.906 0.000 B 59 PHE HE2 H 1 6.906 0.000 B 59 PHE HZ H 1 7.249 0.000 B 59 PHE C C 13 176.042 0.000 B 59 PHE CA C 13 56.407 0.000 B 59 PHE CB C 13 41.668 0.000 B 59 PHE CD1 C 13 132.481 0.000 B 59 PHE CD2 C 13 132.481 0.000 B 59 PHE CE1 C 13 130.840 0.000 B 59 PHE CE2 C 13 130.840 0.000 B 59 PHE CZ C 13 129.747 0.000 B 59 PHE N N 15 120.155 0.000 B 60 ARG H H 1 9.534 0.000 B 60 ARG HA H 1 5.284 0.000 B 60 ARG HBy H 1 1.780 0.000 B 60 ARG HBx H 1 1.622 0.000 B 60 ARG HDx H 1 2.753 0.000 B 60 ARG HDy H 1 2.784 0.000 B 60 ARG HGy H 1 1.474 0.000 B 60 ARG HGx H 1 1.346 0.000 B 60 ARG C C 13 173.779 0.000 B 60 ARG CA C 13 54.933 0.000 B 60 ARG CB C 13 35.919 0.000 B 60 ARG CD C 13 43.574 0.000 B 60 ARG CG C 13 27.645 0.000 B 60 ARG N N 15 121.864 0.000 B 61 PHE H H 1 9.013 0.000 B 61 PHE HA H 1 5.373 0.000 B 61 PHE HBy H 1 3.010 0.000 B 61 PHE HBx H 1 2.892 0.000 B 61 PHE HD1 H 1 7.407 0.000 B 61 PHE HD2 H 1 7.407 0.000 B 61 PHE C C 13 175.161 0.000 B 61 PHE CA C 13 55.891 0.000 B 61 PHE CB C 13 42.331 0.000 B 61 PHE CD1 C 13 131.934 0.000 B 61 PHE CD2 C 13 131.934 0.000 B 61 PHE N N 15 120.549 0.000 B 62 ASP H H 1 9.434 0.000 B 62 ASP HA H 1 4.083 0.000 B 62 ASP HBy H 1 2.705 0.000 B 62 ASP HBx H 1 1.474 0.000 B 62 ASP C C 13 175.962 0.000 B 62 ASP CA C 13 54.712 0.000 B 62 ASP CB C 13 39.236 0.000 B 62 ASP N N 15 109.043 0.000 B 63 GLY H H 1 8.658 0.000 B 63 GLY HAy H 1 4.201 0.000 B 63 GLY HAx H 1 3.522 0.000 B 63 GLY C C 13 173.999 0.000 B 63 GLY CA C 13 45.426 0.000 B 63 GLY N N 15 125.457 0.000 B 64 GLN H H 1 7.918 0.000 B 64 GLN HA H 1 4.969 0.000 B 64 GLN HBy H 1 2.263 0.000 B 64 GLN HBx H 1 2.118 0.000 B 64 GLN HE21 H 1 6.876 0.000 B 64 GLN HE22 H 1 7.523 0.000 B 64 GLN HGy H 1 2.479 0.000 B 64 GLN HGx H 1 2.411 0.000 B 64 GLN C C 13 173.338 0.000 B 64 GLN CA C 13 52.575 0.000 B 64 GLN CB C 13 30.171 0.000 B 64 GLN CG C 13 33.061 0.000 B 64 GLN N N 15 120.818 0.000 B 64 GLN NE2 N 15 112.134 0.000 B 65 PRO HA H 1 4.792 0.000 B 65 PRO HBy H 1 2.400 0.000 B 65 PRO HBx H 1 2.006 0.000 B 65 PRO HDy H 1 3.857 0.000 B 65 PRO HDx H 1 3.663 0.000 B 65 PRO HGx H 1 2.018 0.000 B 65 PRO HGy H 1 2.067 0.000 B 65 PRO C C 13 176.402 0.000 B 65 PRO CA C 13 63.114 0.000 B 65 PRO CB C 13 32.234 0.000 B 65 PRO CD C 13 50.916 0.000 B 65 PRO CG C 13 27.652 0.000 B 66 ILE H H 1 7.910 0.000 B 66 ILE HA H 1 4.467 0.000 B 66 ILE HB H 1 1.740 0.000 B 66 ILE HD1% H 1 0.701 0.000 B 66 ILE HG1y H 1 1.464 0.000 B 66 ILE HG1x H 1 0.919 0.000 B 66 ILE HG2% H 1 0.931 0.000 B 66 ILE C C 13 175.141 0.000 B 66 ILE CA C 13 60.313 0.000 B 66 ILE CB C 13 40.415 0.000 B 66 ILE CD1 C 13 14.978 0.000 B 66 ILE CG1 C 13 26.658 0.000 B 66 ILE CG2 C 13 19.496 0.000 B 66 ILE N N 15 119.457 0.000 B 67 ASN H H 1 9.227 0.000 B 67 ASN HA H 1 5.038 0.000 B 67 ASN HBy H 1 2.843 0.000 B 67 ASN HBx H 1 2.695 0.000 B 67 ASN HD21 H 1 7.970 0.000 B 67 ASN HD22 H 1 6.956 0.000 B 67 ASN C C 13 176.082 0.000 B 67 ASN CA C 13 52.206 0.000 B 67 ASN CB C 13 41.226 0.000 B 67 ASN N N 15 124.006 0.000 B 67 ASN ND2 N 15 116.267 0.000 B 68 GLU H H 1 9.067 0.000 B 68 GLU HA H 1 3.817 0.000 B 68 GLU HBy H 1 2.110 0.000 B 68 GLU HBx H 1 2.065 0.000 B 68 GLU HGy H 1 2.372 0.000 B 68 GLU HGx H 1 2.305 0.000 B 68 GLU C C 13 175.922 0.000 B 68 GLU CA C 13 59.945 0.000 B 68 GLU CB C 13 30.687 0.000 B 68 GLU CG C 13 37.577 0.000 B 68 GLU N N 15 120.115 0.000 B 69 THR H H 1 7.244 0.000 B 69 THR HA H 1 4.231 0.000 B 69 THR HB H 1 4.540 0.000 B 69 THR HG2% H 1 1.219 0.000 B 69 THR C C 13 175.161 0.000 B 69 THR CA C 13 61.713 0.000 B 69 THR CB C 13 69.452 0.000 B 69 THR CG2 C 13 21.840 0.000 B 69 THR N N 15 125.213 0.000 B 70 ASP H H 1 7.553 0.000 B 70 ASP HA H 1 4.841 0.000 B 70 ASP HBx H 1 2.479 0.000 B 70 ASP HBy H 1 2.931 0.000 B 70 ASP C C 13 175.121 0.000 B 70 ASP CA C 13 55.523 0.000 B 70 ASP CB C 13 42.110 0.000 B 70 ASP N N 15 123.216 0.000 B 71 THR H H 1 7.393 0.000 B 71 THR HA H 1 5.119 0.000 B 71 THR HB H 1 4.461 0.000 B 71 THR HG2% H 1 1.037 0.000 B 71 THR C C 13 173.418 0.000 B 71 THR CA C 13 57.660 0.000 B 71 THR CB C 13 69.673 0.000 B 71 THR CG2 C 13 21.104 0.000 B 71 THR N N 15 108.459 0.000 B 72 PRO HA H 1 4.290 0.000 B 72 PRO HBy H 1 2.173 0.000 B 72 PRO HBx H 1 1.888 0.000 B 72 PRO HDx H 1 3.800 0.000 B 72 PRO HDy H 1 4.020 0.000 B 72 PRO HGx H 1 2.108 0.000 B 72 PRO HGy H 1 2.130 0.000 B 72 PRO C C 13 178.765 0.000 B 72 PRO CA C 13 65.693 0.000 B 72 PRO CB C 13 32.234 0.000 B 72 PRO CD C 13 51.300 0.000 B 72 PRO CG C 13 28.110 0.000 B 73 ALA H H 1 8.234 0.000 B 73 ALA HA H 1 4.103 0.000 B 73 ALA HB% H 1 1.091 0.000 B 73 ALA C C 13 181.348 0.000 B 73 ALA CA C 13 54.712 0.000 B 73 ALA CB C 13 18.379 0.000 B 73 ALA N N 15 116.885 0.000 B 74 GLN H H 1 7.955 0.000 B 74 GLN HA H 1 4.103 0.000 B 74 GLN HBy H 1 2.331 0.000 B 74 GLN HBx H 1 2.213 0.000 B 74 GLN HE21 H 1 7.469 0.000 B 74 GLN HE22 H 1 6.764 0.000 B 74 GLN HGy H 1 2.512 0.000 B 74 GLN HGx H 1 2.493 0.000 B 74 GLN C C 13 177.864 0.000 B 74 GLN CA C 13 58.618 0.000 B 74 GLN CB C 13 28.918 0.000 B 74 GLN CG C 13 33.844 0.000 B 74 GLN N N 15 119.961 0.000 B 74 GLN NE2 N 15 110.517 0.000 B 75 LEU H H 1 7.420 0.000 B 75 LEU HA H 1 4.398 0.000 B 75 LEU HBy H 1 1.740 0.000 B 75 LEU HBx H 1 1.593 0.000 B 75 LEU HDx% H 1 0.850 0.000 B 75 LEU HDy% H 1 0.949 0.000 B 75 LEU HG H 1 0.849 0.000 B 75 LEU C C 13 174.760 0.000 B 75 LEU CA C 13 54.638 0.000 B 75 LEU CB C 13 42.405 0.000 B 75 LEU CDy C 13 26.164 0.000 B 75 LEU CDx C 13 22.208 0.000 B 75 LEU CG C 13 26.230 0.000 B 75 LEU N N 15 117.004 0.000 B 76 GLU H H 1 7.714 0.000 B 76 GLU HA H 1 3.844 0.000 B 76 GLU HBy H 1 2.351 0.000 B 76 GLU HBx H 1 2.252 0.000 B 76 GLU HGy H 1 2.229 0.000 B 76 GLU HGx H 1 2.203 0.000 B 76 GLU C C 13 176.102 0.000 B 76 GLU CA C 13 57.365 0.000 B 76 GLU CB C 13 26.486 0.000 B 76 GLU CG C 13 36.740 0.000 B 76 GLU N N 15 114.234 0.000 B 77 MET H H 1 7.749 0.000 B 77 MET HA H 1 4.270 0.000 B 77 MET HBy H 1 1.829 0.000 B 77 MET HBx H 1 1.327 0.000 B 77 MET HE% H 1 1.211 0.000 B 77 MET HG2 H 1 1.360 0.000 B 77 MET HG3 H 1 1.360 0.000 B 77 MET C C 13 175.201 0.000 B 77 MET CA C 13 56.867 0.000 B 77 MET CB C 13 35.035 0.000 B 77 MET CE C 13 18.394 0.000 B 77 MET CG C 13 33.570 0.000 B 77 MET N N 15 116.557 0.000 B 78 GLU H H 1 9.397 0.000 B 78 GLU HA H 1 4.575 0.000 B 78 GLU HBy H 1 2.154 0.000 B 78 GLU HBx H 1 1.858 0.000 B 78 GLU HGy H 1 2.421 0.000 B 78 GLU HGx H 1 2.274 0.000 B 78 GLU C C 13 174.640 0.000 B 78 GLU CA C 13 53.901 0.000 B 78 GLU CB C 13 33.193 0.000 B 78 GLU CG C 13 35.923 0.000 B 78 GLU N N 15 122.134 0.000 B 79 ASP H H 1 8.422 0.000 B 79 ASP HA H 1 4.605 0.000 B 79 ASP HBy H 1 2.732 0.000 B 79 ASP HBx H 1 2.675 0.000 B 79 ASP C C 13 177.444 0.000 B 79 ASP CA C 13 57.070 0.000 B 79 ASP CB C 13 42.110 0.000 B 79 ASP N N 15 118.227 0.000 B 80 GLU H H 1 9.474 0.000 B 80 GLU HA H 1 3.768 0.000 B 80 GLU HBy H 1 2.518 0.000 B 80 GLU HBx H 1 2.321 0.000 B 80 GLU HGy H 1 2.342 0.000 B 80 GLU HGx H 1 2.114 0.000 B 80 GLU C C 13 175.621 0.000 B 80 GLU CA C 13 58.544 0.000 B 80 GLU CB C 13 26.412 0.000 B 80 GLU CG C 13 36.226 0.000 B 80 GLU N N 15 116.185 0.000 B 81 ASP H H 1 8.047 0.000 B 81 ASP HA H 1 4.930 0.000 B 81 ASP HBy H 1 3.030 0.000 B 81 ASP HBx H 1 2.725 0.000 B 81 ASP C C 13 174.620 0.000 B 81 ASP CA C 13 55.965 0.000 B 81 ASP CB C 13 42.110 0.000 B 81 ASP N N 15 120.712 0.000 B 82 THR H H 1 8.389 0.000 B 82 THR HA H 1 5.245 0.000 B 82 THR HB H 1 4.014 0.000 B 82 THR HG2% H 1 1.147 0.000 B 82 THR C C 13 174.079 0.000 B 82 THR CA C 13 62.450 0.000 B 82 THR CB C 13 71.515 0.000 B 82 THR CG2 C 13 22.245 0.000 B 82 THR N N 15 113.650 0.000 B 83 ILE H H 1 9.441 0.000 B 83 ILE HA H 1 4.634 0.000 B 83 ILE HB H 1 1.809 0.000 B 83 ILE HD1% H 1 0.634 0.000 B 83 ILE HG1x H 1 1.672 0.000 B 83 ILE HG1y H 1 1.673 0.000 B 83 ILE HG2% H 1 0.997 0.000 B 83 ILE C C 13 173.719 0.000 B 83 ILE CA C 13 60.534 0.000 B 83 ILE CB C 13 41.299 0.000 B 83 ILE CD1 C 13 14.707 0.000 B 83 ILE CG1 C 13 28.066 0.000 B 83 ILE CG2 C 13 18.636 0.000 B 83 ILE N N 15 127.255 0.000 B 84 ASP H H 1 9.011 0.000 B 84 ASP HA H 1 5.392 0.000 B 84 ASP HBy H 1 2.607 0.000 B 84 ASP HBx H 1 2.538 0.000 B 84 ASP C C 13 175.020 0.000 B 84 ASP CA C 13 54.270 0.000 B 84 ASP CB C 13 44.910 0.000 B 84 ASP N N 15 126.442 0.000 B 85 VAL H H 1 7.842 0.000 B 85 VAL HA H 1 4.772 0.000 B 85 VAL HB H 1 1.573 0.000 B 85 VAL HGx% H 1 0.527 0.000 B 85 VAL HGy% H 1 0.379 0.000 B 85 VAL C C 13 174.940 0.000 B 85 VAL CA C 13 60.313 0.000 B 85 VAL CB C 13 34.298 0.000 B 85 VAL CGy C 13 22.104 0.000 B 85 VAL CGx C 13 21.731 0.000 B 85 VAL N N 15 118.685 0.000 B 86 PHE H H 1 8.674 0.000 B 86 PHE HA H 1 4.782 0.000 B 86 PHE HBy H 1 3.040 0.000 B 86 PHE HBx H 1 2.774 0.000 B 86 PHE HD1 H 1 7.054 0.000 B 86 PHE HD2 H 1 7.054 0.000 B 86 PHE C C 13 174.079 0.000 B 86 PHE CA C 13 56.260 0.000 B 86 PHE CB C 13 42.036 0.000 B 86 PHE CD1 C 13 131.934 0.000 B 86 PHE CD2 C 13 131.934 0.000 B 86 PHE N N 15 124.533 0.000 B 87 GLN H H 1 8.593 0.000 B 87 GLN HA H 1 4.705 0.000 B 87 GLN HBy H 1 2.144 0.000 B 87 GLN HBx H 1 1.986 0.000 B 87 GLN HE21 H 1 2.387 0.000 B 87 GLN HE22 H 1 2.310 0.000 B 87 GLN HGy H 1 2.388 0.000 B 87 GLN HGx H 1 2.344 0.000 B 87 GLN C C 13 175.461 0.000 B 87 GLN CA C 13 55.375 0.000 B 87 GLN CB C 13 30.171 0.000 B 87 GLN CG C 13 34.201 0.000 B 87 GLN N N 15 121.557 0.000 B 87 GLN NE2 N 15 110.877 0.000 B 88 GLN H H 1 8.435 0.000 B 88 GLN HA H 1 4.408 0.000 B 88 GLN HBx H 1 1.957 0.000 B 88 GLN HBy H 1 2.026 0.000 B 88 GLN HE21 H 1 7.388 0.000 B 88 GLN HE22 H 1 6.772 0.000 B 88 GLN HGy H 1 2.299 0.000 B 88 GLN HGx H 1 2.284 0.000 B 88 GLN C C 13 175.121 0.000 B 88 GLN CA C 13 55.818 0.000 B 88 GLN CB C 13 30.024 0.000 B 88 GLN CG C 13 33.591 0.000 B 88 GLN N N 15 123.687 0.000 B 88 GLN NE2 N 15 111.775 0.000 B 89 GLN H H 1 8.586 0.000 B 89 GLN HA H 1 4.497 0.000 B 89 GLN HBy H 1 2.193 0.000 B 89 GLN HBx H 1 2.065 0.000 B 89 GLN HE21 H 1 2.387 0.000 B 89 GLN HE22 H 1 2.481 0.000 B 89 GLN HGy H 1 2.439 0.000 B 89 GLN HGx H 1 2.425 0.000 B 89 GLN C C 13 175.381 0.000 B 89 GLN CA C 13 56.112 0.000 B 89 GLN CB C 13 29.876 0.000 B 89 GLN CG C 13 33.908 0.000 B 89 GLN N N 15 123.443 0.000 B 89 GLN NE2 N 15 112.457 0.000 B 90 THR H H 1 7.889 0.000 B 90 THR HA H 1 4.201 0.000 B 90 THR HB H 1 4.283 0.000 B 90 THR HG2% H 1 1.197 0.000 B 90 THR C C 13 179.126 0.000 B 90 THR CA C 13 63.261 0.000 B 90 THR CB C 13 69.820 0.000 B 90 THR CG2 C 13 21.983 0.000 B 90 THR N N 15 121.138 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 73 ILE H A 12 ALA H 1.0 1.948 4.760 2 2 A 73 ILE H A 74 ASP H 1.0 1.983 5.289 3 3 A 73 ILE H A 72 THR H 1.0 1.987 5.365 4 4 A 73 ILE H A 72 THR HA 1.0 1.632 2.938 5 5 A 73 ILE H A 11 VAL HA 1.0 1.835 3.863 6 6 A 73 ILE H A 73 ILE HA 1.0 1.934 4.616 7 7 A 73 ILE H A 72 THR HB 1.0 1.962 4.946 8 8 A 73 ILE H A 10 LYS HBx 1.0 1.937 4.645 9 9 A 73 ILE H A 73 ILE HB 1.0 1.759 3.465 10 10 A 73 ILE H A 72 THR HG2% 1.0 1.729 3.329 11 11 A 73 ILE H A 73 ILE HG2% 1.0 1.915 4.439 12 12 A 73 ILE H A 73 ILE HG1y 1.0 1.903 4.335 13 13 A 73 ILE H A 73 ILE HD1% 1.0 1.910 4.396 14 14 A 73 ILE H A 11 VAL HGy% 1.0 1.965 4.983 15 15 A 21 PHE HA A 21 PHE HD2 1.0 1.749 3.415 16 15 A 21 PHE HD1 A 21 PHE HA 1.0 1.749 3.415 17 16 A 21 PHE HD2 A 21 PHE HBx 1.0 1.659 3.037 18 16 A 21 PHE HD1 A 21 PHE HBx 1.0 1.659 3.037 19 17 A 21 PHE HD2 A 21 PHE HBy 1.0 1.659 3.035 20 17 A 21 PHE HD1 A 21 PHE HBy 1.0 1.659 3.035 21 18 A 19 VAL H A 18 VAL HGy% 1.0 1.720 3.288 22 19 A 11 VAL HGy% A 19 VAL H 1.0 1.964 4.968 23 20 A 36 TYR HE1 A 36 TYR HDy 1.0 1.542 2.630 24 20 A 36 TYR HE2 A 36 TYR HDy 1.0 1.542 2.630 25 20 A 36 TYR HDx A 36 TYR HE2 1.0 1.542 2.630 26 20 A 36 TYR HDx A 36 TYR HE1 1.0 1.542 2.630 27 21 A 19 VAL H A 36 TYR HE2 1.0 1.957 4.877 28 21 A 19 VAL H A 36 TYR HE1 1.0 1.957 4.877 29 22 A 19 VAL H A 18 VAL HA 1.0 1.564 2.700 30 23 A 36 TYR HDy A 36 TYR HBy 1.0 1.661 3.045 31 23 A 36 TYR HDx A 36 TYR HBy 1.0 1.661 3.045 32 24 A 19 VAL H A 19 VAL HB 1.0 1.734 3.350 33 25 A 19 VAL H A 18 VAL HB 1.0 1.895 4.279 34 26 A 19 VAL H A 10 LYS HBy 1.0 1.986 5.350 35 27 A 19 VAL H A 12 ALA HB% 1.0 1.944 4.716 36 28 A 19 VAL H A 19 VAL HGy% 1.0 1.745 3.399 37 29 A 74 ASP H A 50 ARG H 1.0 1.850 3.956 38 30 A 74 ASP H A 75 VAL H 1.0 1.918 4.458 39 31 A 74 ASP H A 73 ILE HA 1.0 1.622 2.900 40 32 A 74 ASP H A 73 ILE HG1x 1.0 1.936 4.634 41 33 A 75 VAL HA A 49 PHE HDy 1.0 1.872 4.106 42 33 A 49 PHE HDx A 75 VAL HA 1.0 1.872 4.106 43 34 A 49 PHE HDy A 48 ARG HA 1.0 1.865 4.053 44 34 A 49 PHE HDx A 48 ARG HA 1.0 1.865 4.053 45 35 A 49 PHE HDy A 49 PHE HBy 1.0 1.702 3.212 46 35 A 49 PHE HDx A 49 PHE HBy 1.0 1.702 3.212 47 36 A 49 PHE HDy A 49 PHE HBx 1.0 1.705 3.223 48 36 A 49 PHE HDx A 49 PHE HBx 1.0 1.705 3.223 49 37 A 74 ASP H A 72 THR HG2% 1.0 1.969 5.039 50 38 A 44 MET H A 43 SER H 1.0 1.992 5.504 51 39 A 44 MET H A 44 MET HA 1.0 1.833 3.857 52 40 A 44 MET H A 43 SER HBy 1.0 1.889 4.225 53 41 A 44 MET H A 43 SER HBx 1.0 1.922 4.494 54 42 A 44 MET H A 37 CYS HBx 1.0 1.997 5.713 55 43 A 76 PHE HA A 76 PHE HD2 1.0 1.750 3.422 56 43 A 76 PHE HD1 A 76 PHE HA 1.0 1.750 3.422 57 44 A 76 PHE HD2 A 76 PHE HBy 1.0 1.690 3.160 58 44 A 76 PHE HD1 A 76 PHE HBy 1.0 1.690 3.160 59 45 A 76 PHE HD2 A 76 PHE HBx 1.0 1.645 2.985 60 45 A 76 PHE HD1 A 76 PHE HBx 1.0 1.645 2.985 61 46 A 76 PHE HD2 A 50 ARG HBy 1.0 1.842 3.912 62 46 A 76 PHE HD1 A 50 ARG HBy 1.0 1.842 3.912 63 47 A 76 PHE HD2 A 50 ARG HGx 1.0 1.844 3.918 64 47 A 76 PHE HD1 A 50 ARG HGx 1.0 1.844 3.918 65 48 A 53 GLY H A 53 GLY HAx 1.0 1.687 3.147 66 49 A 53 GLY H A 52 ASP HA 1.0 1.708 3.236 67 50 A 53 GLY H A 53 GLY HAy 1.0 1.642 2.974 68 51 A 53 GLY H A 50 ARG HDy 1.0 1.889 4.229 69 52 A 53 GLY H A 50 ARG HGy 1.0 1.995 5.637 70 53 A 59 THR H A 58 GLU H 1.0 1.787 3.599 71 54 A 76 PHE HE2 A 50 ARG HDx 1.0 1.790 3.614 72 55 A 59 THR H A 57 ASN HA 1.0 1.920 4.482 73 56 A 50 ARG HBy A 76 PHE HE2 1.0 1.770 3.514 74 57 A 76 PHE HE2 A 50 ARG HBx 1.0 1.834 3.862 75 58 A 50 ARG HGx A 76 PHE HE2 1.0 1.865 4.057 76 59 A 50 ARG HGy A 76 PHE HE2 1.0 1.928 4.550 77 60 A 59 THR H A 57 ASN HBx 1.0 1.766 3.498 78 61 A 59 THR H A 57 ASN HBy 1.0 1.844 3.920 79 62 A 49 PHE HZ A 49 PHE HE2 1.0 1.599 2.819 80 62 A 49 PHE HE1 A 49 PHE HZ 1.0 1.599 2.819 81 63 A 49 PHE HDy A 49 PHE HE1 1.0 1.418 2.268 82 63 A 49 PHE HDx A 49 PHE HE2 1.0 1.418 2.268 83 63 A 49 PHE HDx A 49 PHE HE1 1.0 1.418 2.268 84 63 A 49 PHE HDy A 49 PHE HE2 1.0 1.418 2.268 85 64 A 49 PHE HE2 A 49 PHE HA 1.0 1.936 4.626 86 64 A 49 PHE HE1 A 49 PHE HA 1.0 1.936 4.626 87 65 A 49 PHE HBx A 49 PHE HE2 1.0 1.904 4.338 88 65 A 49 PHE HBx A 49 PHE HE1 1.0 1.904 4.338 89 66 A 20 GLN H A 20 GLN HA 1.0 1.774 3.536 90 67 A 49 PHE HE2 A 33 MET HBy 1.0 1.771 3.521 91 67 A 49 PHE HE1 A 33 MET HBy 1.0 1.771 3.521 92 68 A 20 GLN H A 19 VAL HA 1.0 1.475 2.425 93 69 A 49 PHE HE1 A 47 ILE HG2% 1.0 1.845 3.927 94 69 A 49 PHE HE2 A 47 ILE HG2% 1.0 1.845 3.927 95 70 A 49 PHE HE2 A 75 VAL HGx% 1.0 1.850 3.964 96 70 A 49 PHE HE1 A 75 VAL HGx% 1.0 1.850 3.964 97 71 A 20 GLN H A 19 VAL HGx% 1.0 1.633 2.939 98 72 A 19 VAL H A 20 GLN H 1.0 1.987 5.387 99 73 A 49 PHE HE2 A 36 TYR HBx 1.0 1.931 4.587 100 73 A 49 PHE HE1 A 36 TYR HBx 1.0 1.931 4.587 101 74 A 49 PHE HBy A 49 PHE HE2 1.0 1.917 4.455 102 74 A 49 PHE HBy A 49 PHE HE1 1.0 1.917 4.455 103 75 A 49 PHE HE2 A 33 MET HGx 1.0 1.923 4.505 104 75 A 49 PHE HE1 A 33 MET HGx 1.0 1.923 4.505 105 76 A 76 PHE H A 48 ARG H 1.0 1.792 3.628 106 77 A 76 PHE HD2 A 76 PHE H 1.0 1.822 3.792 107 77 A 76 PHE HD1 A 76 PHE H 1.0 1.822 3.792 108 78 A 49 PHE HA A 76 PHE H 1.0 1.858 4.006 109 79 A 76 PHE H A 47 ILE HA 1.0 1.969 5.043 110 80 A 76 PHE HBy A 76 PHE H 1.0 1.831 3.843 111 81 A 76 PHE HBx A 76 PHE H 1.0 1.794 3.638 112 82 A 76 PHE H A 48 ARG HBx 1.0 1.965 4.971 113 83 A 75 VAL HGx% A 76 PHE H 1.0 1.758 3.462 114 84 A 76 PHE H A 75 VAL HGy% 1.0 1.806 3.698 115 85 A 57 ASN H A 57 ASN HD22 1.0 1.964 4.968 116 86 A 57 ASN HA A 57 ASN H 1.0 1.779 3.563 117 87 A 57 ASN H A 56 ILE HA 1.0 1.581 2.757 118 88 A 57 ASN HBy A 57 ASN H 1.0 1.739 3.369 119 89 A 57 ASN H A 60 ASP HBx 1.0 1.916 4.442 120 90 A 57 ASN H A 56 ILE HG2% 1.0 1.716 3.270 121 91 A 57 ASN H A 56 ILE HD1% 1.0 1.971 5.073 122 92 A 57 ASN H A 57 ASN HD21 1.0 1.910 4.400 123 93 A 59 THR H A 57 ASN H 1.0 1.997 5.659 124 94 A 57 ASN HBx A 57 ASN H 1.0 1.809 3.723 125 95 A 57 ASN H A 29 LEU HDx% 1.0 1.965 4.981 126 96 A 9 LEU H A 8 ASN HA 1.0 1.590 2.788 127 97 A 9 LEU H A 22 LYS HA 1.0 1.871 4.095 128 98 A 20 GLN HA A 9 LEU H 1.0 1.992 5.508 129 99 A 21 PHE HBx A 9 LEU H 1.0 1.985 5.323 130 100 A 9 LEU H A 9 LEU HBy 1.0 1.851 3.963 131 101 A 9 LEU H A 10 LYS H 1.0 1.989 5.409 132 102 A 6 HIS HD2 A 6 HIS HBy 1.0 1.875 4.125 133 103 A 9 LEU H A 9 LEU HA 1.0 1.871 4.095 134 104 A 6 HIS HD2 A 22 LYS HB2 1.0 1.911 4.401 135 105 A 9 LEU H A 9 LEU HBx 1.0 1.731 3.337 136 106 A 9 LEU H A 32 LEU HG 1.0 1.984 5.298 137 107 A 26 HIS HD2 A 26 HIS HBy 1.0 1.839 3.889 138 108 A 26 HIS HD2 A 4 ASN HBx 1.0 1.914 4.428 139 109 A 26 HIS HD2 A 25 ARG HBx 1.0 1.880 4.164 140 110 A 26 HIS HD2 A 63 ALA HB% 1.0 1.851 3.965 141 111 A 26 HIS HD2 A 4 ASN HA 1.0 1.864 4.046 142 112 A 26 HIS HD2 A 26 HIS HBx 1.0 1.889 4.225 143 113 A 78 GLN H A 78 GLN HBx 1.0 1.655 3.021 144 114 A 24 LYS H A 23 ILE HA 1.0 1.680 3.122 145 115 A 24 LYS H A 24 LYS HA 1.0 1.860 4.020 146 116 A 24 LYS H A 27 THR HB 1.0 1.902 4.326 147 117 A 24 LYS H A 24 LYS HBx 1.0 1.652 3.010 148 118 A 24 LYS H A 23 ILE HG1x 1.0 1.803 3.687 149 119 A 57 ASN H A 60 ASP H 1.0 1.907 4.371 150 120 A 58 GLU H A 60 ASP H 1.0 1.880 4.162 151 121 A 59 THR H A 60 ASP H 1.0 1.635 2.949 152 122 A 57 ASN HA A 60 ASP H 1.0 1.976 5.150 153 123 A 60 ASP H A 59 THR HB 1.0 1.971 5.061 154 124 A 60 ASP H A 59 THR HA 1.0 1.844 3.920 155 125 A 60 ASP H A 58 GLU HA 1.0 1.901 4.319 156 126 A 57 ASN HBy A 60 ASP H 1.0 1.842 3.910 157 127 A 60 ASP HBx A 60 ASP H 1.0 1.741 3.377 158 128 A 60 ASP H A 59 THR HG2% 1.0 1.889 4.225 159 129 A 56 ILE HG2% A 60 ASP H 1.0 1.891 4.245 160 130 A 29 LEU HDx% A 60 ASP H 1.0 1.886 4.210 161 131 A 8 ASN H A 70 GLU H 1.0 1.899 4.307 162 132 A 27 THR HB A 24 LYS HBx 1.0 1.712 3.252 163 133 A 8 ASN H A 70 GLU HA 1.0 1.989 5.431 164 134 A 27 THR HB A 23 ILE HG1y 1.0 1.765 3.491 165 135 A 27 THR HB A 23 ILE HD1% 1.0 1.655 3.023 166 136 A 80 THR HB A 80 THR HG2% 1.0 1.436 2.314 167 137 A 8 ASN H A 7 ILE HG1x 1.0 1.879 4.153 168 138 A 8 ASN H A 7 ILE HG2% 1.0 1.865 4.055 169 139 A 8 ASN H A 7 ILE HD1% 1.0 1.947 4.757 170 140 A 8 ASN HA A 8 ASN H 1.0 1.862 4.034 171 141 A 59 THR HB A 28 PRO HBx 1.0 1.872 4.104 172 142 A 3 GLU H A 3 GLU HA 1.0 1.877 4.141 173 143 A 3 GLU H A 3 GLU HBy 1.0 1.967 5.007 174 144 A 3 GLU H A 3 GLU HBx 1.0 1.912 4.402 175 145 A 22 LYS H A 21 PHE H 1.0 1.918 4.466 176 146 A 61 THR HB A 61 THR HA 1.0 1.643 2.979 177 147 A 61 THR HB A 26 HIS HA 1.0 1.723 3.303 178 148 A 61 THR HB A 61 THR HG2% 1.0 1.562 2.694 179 149 A 22 LYS HA A 22 LYS H 1.0 1.803 3.685 180 150 A 21 PHE HBx A 22 LYS H 1.0 1.749 3.417 181 151 A 62 PRO HA A 65 LEU HBy 1.0 1.758 3.462 182 152 A 62 PRO HA A 67 MET HE% 1.0 1.810 3.724 183 153 A 78 GLN H A 79 GLN H 1.0 1.985 5.309 184 154 A 55 PRO HA A 55 PRO HGy 1.0 1.952 4.810 185 155 A 79 GLN H A 78 GLN HA 1.0 1.664 3.056 186 156 A 79 GLN H A 79 GLN HBy 1.0 1.899 4.303 187 157 A 61 THR HA A 28 PRO HA 1.0 1.727 3.319 188 158 A 60 ASP H A 29 LEU H 1.0 1.996 5.628 189 159 A 29 LEU H A 61 THR H 1.0 1.995 5.599 190 160 A 28 PRO HBx A 28 PRO HA 1.0 1.586 2.774 191 161 A 28 PRO HA A 28 PRO HBy 1.0 1.619 2.889 192 162 A 28 PRO HA A 28 PRO HGy 1.0 1.775 3.543 193 163 A 28 PRO HA A 27 THR HG2% 1.0 1.916 4.446 194 164 A 28 PRO HBx A 29 LEU H 1.0 1.844 3.920 195 165 A 29 LEU H A 28 PRO HGy 1.0 1.985 5.317 196 166 A 28 PRO HA A 29 LEU HG 1.0 1.940 4.674 197 167 A 29 LEU H A 29 LEU HG 1.0 1.771 3.521 198 168 A 36 TYR HDy A 36 TYR HA 1.0 1.532 2.600 199 168 A 36 TYR HDx A 36 TYR HA 1.0 1.532 2.600 200 169 A 36 TYR HE2 A 36 TYR HA 1.0 1.883 4.183 201 169 A 36 TYR HE1 A 36 TYR HA 1.0 1.883 4.183 202 170 A 36 TYR HBy A 36 TYR HA 1.0 1.704 3.222 203 171 A 36 TYR HBx A 36 TYR HA 1.0 1.675 3.099 204 172 A 36 TYR HA A 39 ARG HBy 1.0 1.765 3.497 205 173 A 36 TYR HA A 39 ARG HBx 1.0 1.800 3.666 206 174 A 36 TYR HA A 39 ARG HGx 1.0 1.839 3.893 207 175 A 36 TYR HA A 35 ALA HB1 1.0 1.868 4.076 208 176 A 8 ASN HA A 23 ILE H 1.0 1.928 4.554 209 177 A 23 ILE H A 23 ILE HB 1.0 1.912 4.408 210 178 A 22 LYS H A 23 ILE H 1.0 1.973 5.091 211 179 A 72 THR HA A 72 THR HB 1.0 1.646 2.988 212 180 A 72 THR HA A 10 LYS HEy 1.0 1.918 4.464 213 181 A 72 THR HA A 10 LYS HBx 1.0 1.603 2.831 214 182 A 18 VAL H A 12 ALA HA 1.0 1.979 5.195 215 183 A 18 VAL HA A 18 VAL H 1.0 1.773 3.533 216 184 A 18 VAL H A 17 SER HA 1.0 1.474 2.424 217 185 A 19 VAL HGy% A 18 VAL H 1.0 1.969 5.027 218 186 A 11 VAL HGy% A 18 VAL HA 1.0 1.941 4.683 219 187 A 18 VAL HGy% A 18 VAL H 1.0 1.847 3.943 220 188 A 12 ALA HB% A 18 VAL H 1.0 1.995 5.593 221 189 A 33 MET HGx A 30 SER HA 1.0 1.944 4.714 222 190 A 18 VAL HA A 18 VAL HB 1.0 1.623 2.905 223 191 A 18 VAL HGy% A 18 VAL HA 1.0 1.515 2.543 224 192 A 80 THR HG2% A 80 THR HA 1.0 1.474 2.422 225 193 A 11 VAL HA A 11 VAL HB 1.0 1.742 3.386 226 194 A 11 VAL HA A 73 ILE HB 1.0 1.700 3.204 227 195 A 11 VAL HA A 73 ILE HD1% 1.0 1.905 4.353 228 196 A 22 LYS HA A 23 ILE H 1.0 1.620 2.894 229 197 A 11 VAL HA A 12 ALA HB% 1.0 1.836 3.874 230 198 A 11 VAL HA A 75 VAL HGy% 1.0 1.898 4.292 231 199 A 23 ILE H A 22 LYS HGy 1.0 1.934 4.610 232 200 A 23 ILE H A 23 ILE HG2% 1.0 1.738 3.366 233 201 A 50 ARG H A 76 PHE H 1.0 1.966 4.990 234 202 A 59 THR HA A 28 PRO HBx 1.0 1.612 2.866 235 203 A 50 ARG H A 49 PHE HA 1.0 1.601 2.825 236 204 A 59 THR HA A 28 PRO HGy 1.0 1.843 3.915 237 205 A 59 THR HA A 59 THR HG2% 1.0 1.454 2.366 238 206 A 50 ARG H A 74 ASP HBx 1.0 1.879 4.153 239 207 A 73 ILE HA A 51 PHE HD2 1.0 1.770 3.518 240 207 A 73 ILE HA A 51 PHE HD1 1.0 1.770 3.518 241 208 A 73 ILE HA A 73 ILE HG1x 1.0 1.733 3.345 242 209 A 73 ILE HA A 72 THR HG2% 1.0 1.888 4.214 243 210 A 73 ILE HA A 73 ILE HG2% 1.0 1.646 2.990 244 211 A 73 ILE HG2% A 50 ARG H 1.0 1.781 3.573 245 212 A 50 ARG H A 56 ILE HD1% 1.0 1.909 4.389 246 213 A 50 ARG H A 75 VAL HGx% 1.0 1.995 5.593 247 214 A 27 THR HG2% A 27 THR HA 1.0 1.578 2.746 248 215 A 50 ARG H A 56 ILE H 1.0 1.995 5.603 249 216 A 19 VAL HB A 19 VAL HA 1.0 1.621 2.899 250 217 A 19 VAL HGy% A 19 VAL HA 1.0 1.475 2.425 251 218 A 19 VAL H A 11 VAL H 1.0 1.747 3.409 252 219 A 21 PHE HD2 A 11 VAL H 1.0 1.947 4.749 253 219 A 21 PHE HD1 A 11 VAL H 1.0 1.947 4.749 254 220 A 36 TYR HE2 A 11 VAL H 1.0 1.991 5.485 255 220 A 36 TYR HE1 A 11 VAL H 1.0 1.991 5.485 256 221 A 75 VAL HA A 75 VAL HGx% 1.0 1.912 4.408 257 222 A 11 VAL H A 10 LYS HA 1.0 1.562 2.696 258 223 A 19 VAL HA A 11 VAL H 1.0 1.994 5.590 259 224 A 7 ILE HA A 6 HIS HBx 1.0 1.947 4.747 260 225 A 73 ILE HA A 51 PHE HBx 1.0 1.935 4.625 261 226 A 73 ILE HA A 73 ILE HB 1.0 1.727 3.317 262 227 A 11 VAL H A 11 VAL HGx% 1.0 1.719 3.283 263 228 A 57 ASN HBy A 56 ILE HA 1.0 1.948 4.762 264 229 A 56 ILE HA A 55 PRO HBx 1.0 1.955 4.843 265 230 A 56 ILE HA A 56 ILE HD1% 1.0 1.803 3.687 266 231 A 35 ALA H A 34 LYS H 1.0 1.683 3.131 267 232 A 56 ILE HA A 60 ASP HBx 1.0 1.953 4.827 268 233 A 56 ILE HA A 56 ILE HB 1.0 1.636 2.950 269 234 A 56 ILE HA A 56 ILE HG1x 1.0 1.755 3.443 270 235 A 35 ALA H A 32 LEU HA 1.0 1.850 3.960 271 236 A 36 TYR HBx A 35 ALA H 1.0 1.945 4.731 272 237 A 23 ILE HA A 23 ILE HB 1.0 1.544 2.636 273 238 A 23 ILE HA A 23 ILE HG1x 1.0 1.657 3.029 274 239 A 32 LEU H A 33 MET H 1.0 1.663 3.051 275 240 A 6 HIS HD2 A 23 ILE HA 1.0 1.772 3.528 276 241 A 32 LEU H A 29 LEU HA 1.0 1.849 3.955 277 242 A 32 LEU HA A 32 LEU H 1.0 1.776 3.546 278 243 A 34 LYS HA A 37 CYS HBy 1.0 1.736 3.358 279 244 A 32 LEU H A 32 LEU HBx 1.0 1.744 3.394 280 245 A 23 ILE HD1% A 32 LEU H 1.0 1.825 3.807 281 246 A 31 LYS HA A 31 LYS HBx 1.0 1.517 2.549 282 247 A 31 LYS HA A 31 LYS HGx 1.0 1.629 2.927 283 248 A 47 ILE HA A 77 GLN HBx 1.0 1.880 4.162 284 249 A 47 ILE HA A 47 ILE HB 1.0 1.557 2.679 285 250 A 47 ILE HG2% A 47 ILE HA 1.0 1.731 3.335 286 251 A 76 PHE HD2 A 77 GLN H 1.0 1.902 4.328 287 251 A 76 PHE HD1 A 77 GLN H 1.0 1.902 4.328 288 252 A 75 VAL HGx% A 47 ILE HA 1.0 1.887 4.209 289 253 A 76 PHE HBx A 77 GLN H 1.0 1.789 3.613 290 254 A 47 ILE HA A 77 GLN HBy 1.0 1.880 4.166 291 255 A 77 GLN H A 77 GLN HBy 1.0 1.724 3.304 292 256 A 75 VAL HGx% A 77 GLN H 1.0 1.976 5.148 293 257 A 35 ALA H A 32 LEU HDy% 1.0 1.997 5.687 294 258 A 38 GLU HA A 38 GLU HGy 1.0 1.668 3.074 295 259 A 38 GLU HA A 38 GLU HGx 1.0 1.631 2.931 296 260 A 21 PHE HD2 A 21 PHE H 1.0 1.795 3.645 297 260 A 21 PHE HD1 A 21 PHE H 1.0 1.795 3.645 298 261 A 8 ASN HA A 21 PHE H 1.0 1.944 4.722 299 262 A 20 GLN HA A 21 PHE H 1.0 1.532 2.596 300 263 A 21 PHE H A 10 LYS HA 1.0 1.830 3.836 301 264 A 21 PHE HBy A 21 PHE H 1.0 1.740 3.376 302 265 A 21 PHE H A 20 GLN HGx 1.0 1.916 4.438 303 266 A 17 SER HA A 18 VAL HGx% 1.0 1.750 3.422 304 267 A 21 PHE H A 20 GLN HBy 1.0 1.847 3.941 305 268 A 9 LEU HBx A 21 PHE H 1.0 1.941 4.681 306 269 A 63 ALA HB% A 64 GLN HA 1.0 1.815 3.753 307 270 A 44 MET HA A 49 PHE HE2 1.0 1.942 4.694 308 270 A 44 MET HA A 49 PHE HE1 1.0 1.942 4.694 309 271 A 44 MET HA A 44 MET HGx 1.0 1.477 2.433 310 272 A 44 MET HA A 47 ILE HG2% 1.0 1.654 3.020 311 273 A 49 PHE HDy A 48 ARG H 1.0 1.962 4.932 312 273 A 49 PHE HDx A 48 ARG H 1.0 1.962 4.932 313 274 A 48 ARG H A 47 ILE HA 1.0 1.561 2.693 314 275 A 14 GLN HA A 14 GLN HBy 1.0 1.500 2.500 315 276 A 48 ARG H A 48 ARG HDx 1.0 1.990 5.446 316 277 A 48 ARG H A 48 ARG HDy 1.0 1.996 5.682 317 278 A 61 THR HA A 62 PRO HDy 1.0 1.609 2.857 318 279 A 76 PHE HBx A 48 ARG H 1.0 1.945 4.729 319 280 A 61 THR HA A 29 LEU HG 1.0 1.755 3.447 320 281 A 48 ARG H A 48 ARG HGx 1.0 1.805 3.699 321 282 A 48 ARG H A 48 ARG HBx 1.0 1.784 3.584 322 283 A 61 THR HA A 64 GLN HBy 1.0 1.931 4.585 323 284 A 48 ARG H A 47 ILE HG1y 1.0 1.731 3.333 324 285 A 75 VAL HGx% A 48 ARG H 1.0 1.901 4.319 325 286 A 48 ARG H A 75 VAL HGy% 1.0 1.946 4.734 326 287 A 27 THR H A 25 ARG H 1.0 1.933 4.603 327 288 A 27 THR H A 26 HIS H 1.0 1.674 3.094 328 289 A 70 GLU HA A 69 ASP HA 1.0 1.908 4.374 329 290 A 26 HIS HA A 27 THR H 1.0 1.841 3.901 330 291 A 27 THR HA A 27 THR H 1.0 1.774 3.536 331 292 A 61 THR HB A 27 THR H 1.0 1.942 4.696 332 293 A 27 THR HB A 27 THR H 1.0 1.608 2.850 333 294 A 45 ARG HA A 45 ARG HB2 1.0 1.555 2.669 334 295 A 45 ARG HA A 45 ARG HG3 1.0 1.550 2.656 335 295 A 45 ARG HA A 45 ARG HG2 1.0 1.550 2.656 336 296 A 27 THR H A 25 ARG HA 1.0 1.960 4.918 337 297 A 26 HIS HBx A 27 THR H 1.0 1.949 4.769 338 298 A 26 HIS HBy A 27 THR H 1.0 1.925 4.523 339 299 A 6 HIS HA A 24 LYS HGx 1.0 1.789 3.611 340 300 A 61 THR HG2% A 27 THR H 1.0 1.890 4.232 341 301 A 23 ILE HD1% A 27 THR H 1.0 1.937 4.641 342 302 A 69 ASP HA A 7 ILE HB 1.0 1.650 3.002 343 303 A 7 ILE HG1x A 69 ASP HA 1.0 1.763 3.481 344 304 A 54 GLN H A 55 PRO HDy 1.0 1.942 4.694 345 305 A 7 ILE HD1% A 69 ASP HA 1.0 1.759 3.463 346 306 A 14 GLN H A 13 GLY H 1.0 1.928 4.552 347 307 A 24 LYS HA A 24 LYS HGy 1.0 1.760 3.468 348 308 A 24 LYS HA A 24 LYS HGx 1.0 1.701 3.207 349 309 A 14 GLN HA A 14 GLN H 1.0 1.811 3.731 350 310 A 67 MET HA A 67 MET HBy 1.0 1.673 3.093 351 311 A 14 GLN HBy A 14 GLN H 1.0 1.805 3.699 352 312 A 14 GLN H A 14 GLN HBx 1.0 1.729 3.329 353 313 A 75 VAL HGx% A 14 GLN H 1.0 1.980 5.220 354 314 A 70 GLU H A 71 ASP H 1.0 1.705 3.225 355 315 A 49 PHE HDy A 49 PHE HA 1.0 1.706 3.226 356 315 A 49 PHE HDx A 49 PHE HA 1.0 1.706 3.226 357 316 A 49 PHE HBy A 49 PHE HA 1.0 1.669 3.075 358 317 A 49 PHE HBx A 49 PHE HA 1.0 1.662 3.048 359 318 A 49 PHE HA A 75 VAL HGx% 1.0 1.829 3.829 360 319 A 71 ASP H A 71 ASP HA 1.0 1.731 3.337 361 320 A 69 ASP HA A 71 ASP H 1.0 1.827 3.823 362 321 A 70 GLU HA A 71 ASP H 1.0 1.776 3.550 363 322 A 71 ASP H A 71 ASP HBx 1.0 1.670 3.080 364 323 A 71 ASP HA A 9 LEU HDx% 1.0 1.824 3.802 365 324 A 71 ASP H A 70 GLU HBy 1.0 1.969 5.037 366 325 A 43 SER HBy A 43 SER HA 1.0 1.688 3.152 367 326 A 43 SER HBx A 43 SER HA 1.0 1.716 3.268 368 327 A 71 ASP H A 9 LEU HDx% 1.0 1.713 3.253 369 328 A 7 ILE HD1% A 71 ASP H 1.0 1.966 4.992 370 329 A 54 GLN H A 52 ASP H 1.0 1.957 4.869 371 330 A 54 GLN H A 51 PHE H 1.0 1.743 3.393 372 331 A 53 GLY H A 54 GLN H 1.0 1.749 3.421 373 332 A 51 PHE HD2 A 51 PHE HA 1.0 1.569 2.717 374 332 A 51 PHE HD1 A 51 PHE HA 1.0 1.569 2.717 375 333 A 51 PHE HBx A 51 PHE HA 1.0 1.649 3.001 376 334 A 51 PHE HA A 51 PHE HBy 1.0 1.680 3.120 377 335 A 53 GLY HAx A 54 GLN H 1.0 1.841 3.905 378 336 A 54 GLN H A 55 PRO HDx 1.0 1.951 4.789 379 337 A 53 GLY HAy A 54 GLN H 1.0 1.840 3.896 380 338 A 51 PHE HBx A 54 GLN H 1.0 1.988 5.390 381 339 A 54 GLN H A 54 GLN HBy 1.0 1.750 3.424 382 340 A 50 ARG HBx A 54 GLN H 1.0 1.917 4.449 383 341 A 50 ARG HGx A 54 GLN H 1.0 1.939 4.661 384 342 A 50 ARG HGy A 54 GLN H 1.0 1.986 5.332 385 343 A 71 ASP HA A 71 ASP HBx 1.0 1.738 3.364 386 344 A 71 ASP HA A 71 ASP HBy 1.0 1.683 3.131 387 345 A 50 ARG HDy A 54 GLN H 1.0 1.903 4.339 388 346 A 60 ASP HA A 65 LEU HDx% 1.0 1.901 4.321 389 347 A 51 PHE H A 50 ARG HA 1.0 1.640 2.966 390 348 A 14 GLN H A 14 GLN HGy 1.0 1.776 3.548 391 349 A 14 GLN H A 75 VAL HB 1.0 1.972 5.086 392 350 A 75 VAL HGy% A 14 GLN H 1.0 1.988 5.402 393 351 A 79 GLN HBy A 79 GLN HA 1.0 1.537 2.613 394 352 A 51 PHE H A 54 GLN HBy 1.0 1.981 5.253 395 353 A 51 PHE H A 56 ILE HG1y 1.0 1.795 3.643 396 354 A 56 ILE HD1% A 51 PHE H 1.0 1.857 4.001 397 355 A 51 PHE HD2 A 51 PHE H 1.0 1.911 4.407 398 355 A 51 PHE HD1 A 51 PHE H 1.0 1.911 4.407 399 356 A 22 LYS HA A 6 HIS HD2 1.0 1.928 4.554 400 357 A 8 ASN HA A 22 LYS HA 1.0 1.594 2.804 401 358 A 22 LYS HA A 22 LYS HGx 1.0 1.683 3.129 402 359 A 22 LYS HA A 22 LYS HGy 1.0 1.711 3.245 403 360 A 21 PHE HD2 A 20 GLN HA 1.0 1.839 3.893 404 360 A 21 PHE HD1 A 20 GLN HA 1.0 1.839 3.893 405 361 A 10 LYS HBx A 10 LYS H 1.0 1.778 3.554 406 362 A 20 GLN HA A 10 LYS HA 1.0 1.526 2.580 407 363 A 20 GLN HA A 20 GLN HBy 1.0 1.613 2.867 408 364 A 72 THR HA A 10 LYS H 1.0 1.787 3.603 409 365 A 21 PHE HD2 A 10 LYS HA 1.0 1.949 4.765 410 365 A 21 PHE HD1 A 10 LYS HA 1.0 1.949 4.765 411 366 A 72 THR HG2% A 10 LYS H 1.0 1.926 4.538 412 367 A 10 LYS HBy A 10 LYS HA 1.0 1.638 2.960 413 368 A 18 VAL HGy% A 10 LYS HA 1.0 1.771 3.523 414 369 A 58 GLU H A 59 THR HG2% 1.0 1.966 4.992 415 370 A 26 HIS HBx A 26 HIS HA 1.0 1.657 3.029 416 371 A 26 HIS HBy A 26 HIS HA 1.0 1.726 3.312 417 372 A 49 PHE HE2 A 49 PHE H 1.0 1.960 4.906 418 372 A 49 PHE HE1 A 49 PHE H 1.0 1.960 4.906 419 373 A 48 ARG HDx A 49 PHE H 1.0 1.910 4.398 420 374 A 48 ARG HDy A 49 PHE H 1.0 1.977 5.173 421 375 A 29 LEU HDx% A 60 ASP HA 1.0 1.891 4.239 422 376 A 60 ASP HA A 60 ASP HBy 1.0 1.681 3.125 423 377 A 49 PHE H A 48 ARG HBy 1.0 1.757 3.457 424 378 A 49 PHE H A 33 MET HE% 1.0 1.804 3.690 425 379 A 50 ARG HGy A 51 PHE H 1.0 1.825 3.807 426 380 A 10 LYS H A 11 VAL H 1.0 1.965 4.981 427 381 A 73 ILE H A 10 LYS H 1.0 1.893 4.257 428 382 A 24 LYS HGx A 5 ASP HA 1.0 1.873 4.105 429 383 A 4 ASN HA A 5 ASP H 1.0 1.901 4.321 430 384 A 80 THR HG2% A 78 GLN HA 1.0 1.939 4.665 431 385 A 38 GLU HGy A 35 ALA HA 1.0 1.856 3.996 432 386 A 35 ALA HA A 38 GLU HBy 1.0 1.663 3.055 433 387 A 58 GLU H A 57 ASN HA 1.0 1.639 2.965 434 388 A 58 GLU H A 58 GLU HA 1.0 1.796 3.648 435 389 A 58 GLU H A 57 ASN HBx 1.0 1.808 3.716 436 390 A 55 PRO HA A 50 ARG HA 1.0 1.656 3.024 437 391 A 58 GLU H A 58 GLU HGy 1.0 1.781 3.571 438 392 A 58 GLU H A 58 GLU HBy 1.0 1.745 3.401 439 393 A 50 ARG HBx A 50 ARG HA 1.0 1.659 3.039 440 394 A 50 ARG HGy A 50 ARG HA 1.0 1.676 3.106 441 395 A 50 ARG HA A 56 ILE HG1y 1.0 1.714 3.258 442 396 A 56 ILE HD1% A 50 ARG HA 1.0 1.822 3.790 443 397 A 64 GLN H A 66 GLU H 1.0 1.960 4.918 444 398 A 51 PHE HD2 A 65 LEU HA 1.0 1.926 4.530 445 398 A 51 PHE HD1 A 65 LEU HA 1.0 1.926 4.530 446 399 A 63 ALA HA A 66 GLU HA 1.0 1.858 4.012 447 400 A 52 ASP HA A 51 PHE HD2 1.0 1.936 4.634 448 400 A 52 ASP HA A 51 PHE HD1 1.0 1.936 4.634 449 401 A 62 PRO HA A 64 GLN H 1.0 1.986 5.344 450 402 A 64 GLN HA A 64 GLN H 1.0 1.707 3.229 451 403 A 12 ALA HB% A 74 ASP HA 1.0 1.596 2.808 452 404 A 72 THR HG2% A 74 ASP HA 1.0 1.782 3.576 453 405 A 64 GLN HBy A 64 GLN H 1.0 1.683 3.135 454 406 A 11 VAL HGy% A 74 ASP HA 1.0 1.925 4.527 455 407 A 63 ALA HB% A 64 GLN H 1.0 1.678 3.110 456 408 A 48 ARG HA A 48 ARG HBx 1.0 1.744 3.390 457 409 A 65 LEU HA A 54 GLN HGx 1.0 1.901 4.315 458 410 A 73 ILE HG2% A 74 ASP HA 1.0 1.905 4.351 459 411 A 4 ASN HA A 25 ARG HGy 1.0 1.944 4.710 460 412 A 36 TYR HA A 36 TYR H 1.0 1.764 3.490 461 413 A 32 LEU HA A 36 TYR H 1.0 1.957 4.869 462 414 A 36 TYR HBy A 36 TYR H 1.0 1.683 3.133 463 415 A 68 GLU HA A 68 GLU HGy 1.0 1.718 3.280 464 416 A 68 GLU HA A 68 GLU HGx 1.0 1.634 2.942 465 417 A 68 GLU HA A 68 GLU HBy 1.0 1.595 2.807 466 418 A 68 GLU HA A 68 GLU HBx 1.0 1.641 2.967 467 419 A 7 ILE HG2% A 68 GLU HA 1.0 1.841 3.901 468 420 A 7 ILE HD1% A 68 GLU HA 1.0 1.727 3.315 469 421 A 32 LEU HDy% A 36 TYR H 1.0 1.961 4.921 470 422 A 36 TYR H A 37 CYS HA 1.0 1.990 5.438 471 423 A 9 LEU HBy A 9 LEU HA 1.0 1.643 2.977 472 424 A 4 ASN HA A 4 ASN H 1.0 1.957 4.863 473 425 A 9 LEU HA A 7 ILE HD1% 1.0 1.946 4.738 474 426 A 4 ASN H A 4 ASN HBy 1.0 1.954 4.840 475 427 A 4 ASN HA A 25 ARG HBy 1.0 1.858 4.008 476 428 A 36 TYR HDy A 39 ARG H 1.0 1.989 5.423 477 428 A 36 TYR HDx A 39 ARG H 1.0 1.989 5.423 478 429 A 8 ASN HA A 22 LYS HGx 1.0 1.828 3.830 479 430 A 8 ASN HA A 22 LYS HGy 1.0 1.864 4.044 480 431 A 56 ILE H A 50 ARG HA 1.0 1.792 3.626 481 432 A 55 PRO HDy A 54 GLN HA 1.0 1.591 2.791 482 433 A 55 PRO HDx A 54 GLN HA 1.0 1.624 2.906 483 434 A 54 GLN HA A 54 GLN HGy 1.0 1.731 3.333 484 435 A 54 GLN HBy A 54 GLN HA 1.0 1.645 2.985 485 436 A 54 GLN HA A 54 GLN HBx 1.0 1.719 3.285 486 437 A 54 GLN HA A 55 PRO HGx 1.0 1.813 3.741 487 438 A 50 ARG HGy A 56 ILE H 1.0 1.940 4.674 488 439 A 57 ASN HA A 58 GLU HGy 1.0 1.954 4.844 489 440 A 57 ASN HA A 57 ASN HBx 1.0 1.555 2.673 490 441 A 57 ASN HA A 57 ASN HBy 1.0 1.612 2.866 491 442 A 57 ASN HA A 33 MET HE% 1.0 1.775 3.543 492 443 A 57 ASN HA A 56 ILE HG2% 1.0 1.864 4.048 493 444 A 33 MET H A 31 LYS H 1.0 1.911 4.399 494 445 A 27 THR HA A 28 PRO HDx 1.0 1.605 2.841 495 446 A 27 THR HG2% A 28 PRO HDx 1.0 1.709 3.241 496 447 A 31 LYS H A 31 LYS HBy 1.0 1.634 2.946 497 448 A 18 VAL HA A 12 ALA HA 1.0 1.504 2.512 498 449 A 18 VAL HB A 12 ALA HA 1.0 1.840 3.900 499 450 A 29 LEU H A 31 LYS H 1.0 1.997 5.679 500 451 A 31 LYS H A 31 LYS HEx 1.0 1.993 5.529 501 452 A 18 VAL HGy% A 12 ALA HA 1.0 1.725 3.307 502 453 A 11 VAL HGy% A 12 ALA HA 1.0 1.917 4.455 503 454 A 28 PRO HBx A 28 PRO HDx 1.0 1.854 3.980 504 455 A 39 ARG HBy A 39 ARG H 1.0 1.625 2.913 505 456 A 38 GLU HGy A 39 ARG H 1.0 1.945 4.719 506 457 A 33 MET H A 29 LEU HA 1.0 1.984 5.300 507 458 A 13 GLY HAx A 13 GLY HAy 1.0 1.588 2.782 508 459 A 35 ALA H A 33 MET H 1.0 1.997 5.741 509 460 A 32 LEU HA A 33 MET H 1.0 1.926 4.540 510 461 A 33 MET H A 33 MET HA 1.0 1.826 3.818 511 462 A 33 MET H A 44 MET HE1 1.0 1.973 5.099 512 463 A 33 MET HGx A 33 MET H 1.0 1.757 3.455 513 464 A 33 MET H A 33 MET HBx 1.0 1.716 3.268 514 465 A 33 MET H A 32 LEU HBy 1.0 1.817 3.763 515 466 A 33 MET H A 32 LEU HBx 1.0 1.916 4.446 516 467 A 33 MET H A 33 MET HGy 1.0 1.812 3.732 517 468 A 33 MET H A 32 LEU HDy% 1.0 1.880 4.158 518 469 A 36 TYR H A 38 GLU H 1.0 1.947 4.755 519 470 A 39 ARG H A 38 GLU H 1.0 1.697 3.187 520 471 A 35 ALA H A 38 GLU H 1.0 1.988 5.402 521 472 A 36 TYR HDy A 38 GLU H 1.0 1.998 5.744 522 472 A 36 TYR HDx A 38 GLU H 1.0 1.998 5.744 523 473 A 35 ALA HA A 38 GLU H 1.0 1.799 3.663 524 474 A 38 GLU HA A 38 GLU H 1.0 1.660 3.044 525 475 A 28 PRO HDx A 28 PRO HDy 1.0 1.646 2.988 526 476 A 65 LEU HA A 65 LEU HBx 1.0 1.742 3.384 527 477 A 37 CYS HBy A 38 GLU H 1.0 1.781 3.575 528 478 A 40 GLN HA A 40 GLN HBx 1.0 1.666 3.066 529 479 A 52 ASP HA A 52 ASP HBx 1.0 1.529 2.587 530 480 A 38 GLU HBy A 38 GLU H 1.0 1.630 2.930 531 481 A 40 GLN HA A 40 GLN HBy 1.0 1.635 2.945 532 482 A 43 SER H A 42 LEU H 1.0 1.930 4.574 533 483 A 42 LEU H A 41 GLY HAy 1.0 1.738 3.366 534 484 A 37 CYS HA A 42 LEU H 1.0 1.792 3.630 535 485 A 37 CYS HBy A 42 LEU H 1.0 1.987 5.375 536 486 A 12 ALA H A 75 VAL H 1.0 1.894 4.258 537 487 A 51 PHE HD2 A 52 ASP HBy 1.0 1.895 4.275 538 487 A 51 PHE HD1 A 52 ASP HBy 1.0 1.895 4.275 539 488 A 52 ASP HA A 52 ASP HBy 1.0 1.641 2.969 540 489 A 4 ASN HA A 4 ASN HBy 1.0 1.710 3.242 541 490 A 4 ASN HBx A 4 ASN HA 1.0 1.713 3.257 542 491 A 36 TYR HE2 A 36 TYR HBy 1.0 1.950 4.786 543 491 A 36 TYR HE1 A 36 TYR HBy 1.0 1.950 4.786 544 492 A 36 TYR HBy A 49 PHE HE2 1.0 1.958 4.880 545 492 A 36 TYR HBy A 49 PHE HE1 1.0 1.958 4.880 546 493 A 36 TYR HBy A 49 PHE HZ 1.0 1.866 4.064 547 494 A 75 VAL H A 13 GLY HAy 1.0 1.972 5.070 548 495 A 75 VAL H A 75 VAL HB 1.0 1.715 3.265 549 496 A 72 THR HG2% A 75 VAL H 1.0 1.970 5.060 550 497 A 73 ILE HG2% A 75 VAL H 1.0 1.990 5.424 551 498 A 75 VAL H A 75 VAL HGx% 1.0 1.798 3.660 552 499 A 36 TYR HBx A 32 LEU HDy% 1.0 1.961 4.923 553 500 A 11 VAL HGy% A 36 TYR HBx 1.0 1.946 4.736 554 501 A 49 PHE HZ A 36 TYR HBx 1.0 1.854 3.986 555 502 A 36 TYR HDy A 36 TYR HBx 1.0 1.675 3.101 556 502 A 36 TYR HDx A 36 TYR HBx 1.0 1.675 3.101 557 503 A 36 TYR HE2 A 36 TYR HBx 1.0 1.940 4.672 558 503 A 36 TYR HE1 A 36 TYR HBx 1.0 1.940 4.672 559 504 A 36 TYR HBy A 36 TYR HBx 1.0 1.642 2.972 560 505 A 69 ASP H A 69 ASP HBx 1.0 1.529 2.591 561 506 A 68 GLU HGy A 69 ASP H 1.0 1.896 4.278 562 507 A 68 GLU HBy A 69 ASP H 1.0 1.672 3.088 563 508 A 68 GLU HBx A 69 ASP H 1.0 1.738 3.368 564 509 A 7 ILE HB A 69 ASP H 1.0 1.925 4.525 565 510 A 7 ILE HG1x A 69 ASP H 1.0 1.968 5.012 566 511 A 7 ILE HG2% A 69 ASP H 1.0 1.846 3.934 567 512 A 7 ILE HD1% A 69 ASP H 1.0 1.881 4.161 568 513 A 25 ARG H A 26 HIS H 1.0 1.839 3.891 569 514 A 25 ARG H A 6 HIS HA 1.0 1.874 4.116 570 515 A 24 LYS HA A 25 ARG H 1.0 1.700 3.202 571 516 A 25 ARG H A 25 ARG HA 1.0 1.841 3.905 572 517 A 6 HIS HBy A 6 HIS HD1 1.0 1.904 4.338 573 518 A 6 HIS HBy A 6 HIS HA 1.0 1.799 3.665 574 519 A 25 ARG H A 24 LYS HBy 1.0 1.821 3.787 575 520 A 25 ARG H A 25 ARG HBy 1.0 1.767 3.503 576 521 A 24 LYS HA A 6 HIS HBx 1.0 1.949 4.779 577 522 A 6 HIS HBx A 22 LYS HGx 1.0 1.869 4.085 578 523 A 6 HIS HD2 A 6 HIS HBx 1.0 1.856 4.000 579 524 A 6 HIS HBx A 6 HIS HA 1.0 1.776 3.550 580 525 A 6 HIS HD2 A 7 ILE H 1.0 1.990 5.452 581 526 A 22 LYS HA A 7 ILE H 1.0 1.965 4.969 582 527 A 6 HIS HBy A 22 LYS HB3 1.0 1.936 4.634 583 528 A 8 ASN HA A 7 ILE H 1.0 1.997 5.721 584 529 A 25 ARG H A 7 ILE H 1.0 1.954 4.842 585 530 A 6 HIS HA A 7 ILE H 1.0 1.656 3.026 586 531 A 24 LYS HA A 7 ILE H 1.0 1.850 3.960 587 532 A 6 HIS HBx A 7 ILE H 1.0 1.815 3.753 588 533 A 7 ILE HG1x A 7 ILE H 1.0 1.856 4.002 589 534 A 7 ILE H A 7 ILE HG1y 1.0 1.825 3.807 590 535 A 7 ILE HG2% A 7 ILE H 1.0 1.777 3.553 591 536 A 37 CYS HBx A 34 LYS HA 1.0 1.823 3.797 592 537 A 37 CYS HBx A 37 CYS HA 1.0 1.729 3.327 593 538 A 37 CYS HBx A 37 CYS HBy 1.0 1.557 2.681 594 539 A 37 CYS HBx A 42 LEU HBx 1.0 1.904 4.344 595 540 A 37 CYS HBy A 37 CYS HA 1.0 1.767 3.503 596 541 A 7 ILE H A 6 HIS H 1.0 1.949 4.777 597 542 A 49 PHE HZ A 33 MET HA 1.0 1.775 3.541 598 543 A 6 HIS HBy A 6 HIS H 1.0 1.753 3.439 599 544 A 49 PHE HE2 A 33 MET HA 1.0 1.814 3.748 600 544 A 49 PHE HE1 A 33 MET HA 1.0 1.814 3.748 601 545 A 6 HIS H A 5 ASP HBy 1.0 1.795 3.645 602 546 A 36 TYR HBx A 33 MET HA 1.0 1.892 4.248 603 547 A 33 MET HA A 44 MET HE1 1.0 1.946 4.734 604 548 A 33 MET HGx A 33 MET HA 1.0 1.725 3.309 605 549 A 49 PHE HZ A 37 CYS H 1.0 1.947 4.747 606 550 A 37 CYS HA A 37 CYS H 1.0 1.773 3.533 607 551 A 33 MET HA A 33 MET HGy 1.0 1.723 3.301 608 552 A 37 CYS HBy A 37 CYS H 1.0 1.719 3.281 609 553 A 21 PHE HBx A 9 LEU HBy 1.0 1.962 4.938 610 554 A 35 ALA HB1 A 37 CYS H 1.0 1.929 4.563 611 555 A 21 PHE HA A 21 PHE HBx 1.0 1.700 3.202 612 556 A 21 PHE HBx A 21 PHE HBy 1.0 1.506 2.518 613 557 A 39 ARG H A 37 CYS H 1.0 1.975 5.143 614 558 A 35 ALA HA A 37 CYS H 1.0 1.973 5.101 615 559 A 21 PHE HA A 21 PHE HBy 1.0 1.750 3.420 616 560 A 21 PHE HBy A 32 LEU HDx% 1.0 1.820 3.780 617 561 A 74 ASP HA A 74 ASP HBy 1.0 1.583 2.763 618 562 A 50 ARG HBy A 74 ASP HBx 1.0 1.795 3.641 619 563 A 50 ARG HBx A 74 ASP HBx 1.0 1.849 3.951 620 564 A 64 GLN HBy A 65 LEU H 1.0 1.829 3.831 621 565 A 36 TYR HDy A 39 ARG HDx 1.0 1.826 3.812 622 565 A 36 TYR HDx A 39 ARG HDx 1.0 1.826 3.812 623 566 A 63 ALA HB% A 65 LEU H 1.0 1.937 4.639 624 567 A 65 LEU H A 65 LEU HDy% 1.0 1.782 3.576 625 568 A 66 GLU H A 65 LEU H 1.0 1.680 3.118 626 569 A 62 PRO HA A 65 LEU H 1.0 1.923 4.507 627 570 A 53 GLY HAx A 50 ARG HDy 1.0 1.907 4.371 628 571 A 48 ARG HA A 48 ARG HDx 1.0 1.725 3.309 629 572 A 48 ARG HBx A 48 ARG HDx 1.0 1.818 3.768 630 573 A 45 ARG HA A 45 ARG HD3 1.0 1.689 3.155 631 573 A 45 ARG HA A 45 ARG HD2 1.0 1.689 3.155 632 574 A 13 GLY H A 15 ASP H 1.0 1.974 5.110 633 575 A 45 ARG HD3 A 45 ARG HB3 1.0 1.593 2.797 634 575 A 45 ARG HD2 A 45 ARG HB3 1.0 1.593 2.797 635 576 A 25 ARG HE A 25 ARG HDx 1.0 1.898 4.300 636 577 A 15 ASP H A 15 ASP HA 1.0 1.703 3.217 637 578 A 14 GLN HA A 15 ASP H 1.0 1.771 3.523 638 579 A 48 ARG HA A 48 ARG HDy 1.0 1.755 3.447 639 580 A 15 ASP H A 15 ASP HBx 1.0 1.748 3.412 640 581 A 39 ARG HBx A 39 ARG HDy 1.0 1.727 3.317 641 582 A 14 GLN HBy A 15 ASP H 1.0 1.874 4.112 642 583 A 14 GLN HBx A 15 ASP H 1.0 1.841 3.905 643 584 A 39 ARG HDy A 39 ARG HA 1.0 1.733 3.341 644 585 A 64 GLN H A 63 ALA H 1.0 1.780 3.566 645 586 A 19 VAL HGx% A 39 ARG HDy 1.0 1.688 3.152 646 587 A 61 THR HA A 63 ALA H 1.0 1.934 4.612 647 588 A 26 HIS HA A 63 ALA H 1.0 1.922 4.498 648 589 A 61 THR HB A 63 ALA H 1.0 1.828 3.826 649 590 A 62 PRO HA A 63 ALA H 1.0 1.926 4.530 650 591 A 63 ALA HA A 63 ALA H 1.0 1.731 3.337 651 592 A 80 THR HG2% A 48 ARG HDx 1.0 1.754 3.438 652 593 A 25 ARG HA A 63 ALA H 1.0 1.888 4.218 653 594 A 50 ARG HDx A 74 ASP HBx 1.0 1.925 4.523 654 595 A 31 LYS HBy A 31 LYS HEx 1.0 1.893 4.255 655 596 A 63 ALA H A 62 PRO HBy 1.0 1.845 3.929 656 597 A 67 MET HA A 71 ASP HBx 1.0 1.939 4.661 657 598 A 25 ARG HBx A 63 ALA H 1.0 1.877 4.139 658 599 A 76 PHE HA A 76 PHE HBy 1.0 1.679 3.117 659 600 A 51 PHE HD2 A 51 PHE HBx 1.0 1.682 3.128 660 600 A 51 PHE HD1 A 51 PHE HBx 1.0 1.682 3.128 661 601 A 13 GLY H A 17 SER H 1.0 1.906 4.354 662 602 A 18 VAL H A 17 SER H 1.0 1.882 4.176 663 603 A 15 ASP H A 17 SER H 1.0 1.826 3.810 664 604 A 76 PHE HBy A 80 THR HG2% 1.0 1.801 3.673 665 605 A 56 ILE HD1% A 51 PHE HBx 1.0 1.732 3.340 666 606 A 12 ALA HA A 17 SER H 1.0 1.973 5.085 667 607 A 13 GLY HAx A 17 SER H 1.0 1.934 4.610 668 608 A 17 SER HA A 17 SER H 1.0 1.664 3.058 669 609 A 56 ILE HA A 60 ASP HBy 1.0 1.963 4.945 670 610 A 17 SER H A 15 ASP HBy 1.0 1.986 5.348 671 611 A 15 ASP HBx A 17 SER H 1.0 1.976 5.138 672 612 A 18 VAL HGx% A 17 SER H 1.0 1.958 4.882 673 613 A 60 ASP HBx A 60 ASP HBy 1.0 1.650 3.006 674 614 A 51 PHE HBy A 54 GLN HBy 1.0 1.890 4.232 675 615 A 56 ILE HD1% A 51 PHE HBy 1.0 1.781 3.567 676 616 A 51 PHE HD2 A 51 PHE HBy 1.0 1.701 3.205 677 616 A 51 PHE HD1 A 51 PHE HBy 1.0 1.701 3.205 678 617 A 66 GLU HA A 67 MET H 1.0 1.733 3.343 679 618 A 67 MET H A 66 GLU HBx 1.0 1.988 5.378 680 619 A 76 PHE HA A 76 PHE HBx 1.0 1.717 3.275 681 620 A 67 MET HBy A 67 MET H 1.0 1.808 3.712 682 621 A 7 ILE HD1% A 69 ASP HBx 1.0 1.921 4.491 683 622 A 69 ASP HA A 69 ASP HBy 1.0 1.625 2.913 684 623 A 63 ALA HA A 67 MET H 1.0 1.949 4.769 685 624 A 71 ASP HBx A 67 MET HBx 1.0 1.956 4.850 686 625 A 9 LEU HA A 70 GLU H 1.0 1.975 5.127 687 626 A 70 GLU H A 7 ILE HG1x 1.0 1.989 5.411 688 627 A 6 HIS HD2 A 22 LYS HEx 1.0 1.928 4.552 689 628 A 70 GLU H A 69 ASP HA 1.0 1.711 3.245 690 629 A 70 GLU H A 70 GLU HA 1.0 1.700 3.202 691 630 A 70 GLU H A 70 GLU HBy 1.0 1.966 4.998 692 631 A 70 GLU H A 70 GLU HBx 1.0 1.922 4.494 693 632 A 70 GLU H A 68 GLU HBy 1.0 1.914 4.428 694 633 A 70 GLU H A 9 LEU HDx% 1.0 1.943 4.713 695 634 A 57 ASN HBx A 57 ASN HD21 1.0 1.893 4.257 696 635 A 57 ASN HBy A 57 ASN HD21 1.0 1.813 3.739 697 636 A 57 ASN HA A 57 ASN HD21 1.0 1.998 5.758 698 637 A 15 ASP HA A 15 ASP HBy 1.0 1.671 3.083 699 638 A 57 ASN HD22 A 57 ASN HD21 1.0 1.392 2.196 700 639 A 8 ASN HA A 8 ASN HBy 1.0 1.682 3.130 701 640 A 57 ASN HBy A 57 ASN HD22 1.0 1.838 3.884 702 641 A 15 ASP HA A 15 ASP HBx 1.0 1.681 3.125 703 642 A 15 ASP HBx A 15 ASP HBy 1.0 1.568 2.714 704 643 A 8 ASN HA A 8 ASN HBx 1.0 1.653 3.015 705 644 A 50 ARG HGy A 74 ASP HBx 1.0 1.947 4.747 706 645 A 29 LEU H A 30 SER H 1.0 1.763 3.485 707 646 A 31 LYS H A 30 SER H 1.0 1.767 3.501 708 647 A 28 PRO HA A 30 SER H 1.0 1.884 4.186 709 648 A 28 PRO HBx A 30 SER H 1.0 1.813 3.743 710 649 A 28 PRO HBy A 30 SER H 1.0 1.718 3.280 711 650 A 30 SER H A 29 LEU HBx 1.0 1.852 3.976 712 651 A 30 SER H A 29 LEU HBy 1.0 1.955 4.845 713 652 A 79 GLN HA A 80 THR H 1.0 1.740 3.376 714 653 A 80 THR H A 79 GLN HBx 1.0 1.974 5.122 715 654 A 80 THR HB A 80 THR H 1.0 1.966 4.984 716 655 A 79 GLN HBy A 80 THR H 1.0 1.970 5.044 717 656 A 80 THR HG2% A 80 THR H 1.0 1.952 4.800 718 657 A 43 SER H A 46 GLN H 1.0 1.955 4.851 719 658 A 46 GLN H A 45 ARG H 1.0 1.733 3.347 720 659 A 51 PHE HD2 A 52 ASP HBx 1.0 1.856 3.998 721 659 A 51 PHE HD1 A 52 ASP HBx 1.0 1.856 3.998 722 660 A 46 GLN H A 47 ILE H 1.0 1.604 2.834 723 661 A 52 ASP HBx A 52 ASP HBy 1.0 1.396 2.208 724 662 A 46 GLN H A 46 GLN HA 1.0 1.725 3.311 725 663 A 50 ARG HBy A 50 ARG HGx 1.0 1.729 3.327 726 664 A 43 SER HBx A 46 GLN H 1.0 1.900 4.314 727 665 A 50 ARG HBy A 50 ARG HA 1.0 1.779 3.563 728 666 A 46 GLN H A 46 GLN HBy 1.0 1.693 3.175 729 667 A 45 ARG HB3 A 46 GLN H 1.0 1.893 4.253 730 668 A 45 ARG HB2 A 46 GLN H 1.0 1.895 4.273 731 669 A 47 ILE HG2% A 46 GLN H 1.0 1.876 4.134 732 670 A 44 MET H A 46 GLN H 1.0 1.998 5.752 733 671 A 45 ARG H A 47 ILE H 1.0 1.921 4.487 734 672 A 72 THR HB A 10 LYS HBx 1.0 1.917 4.455 735 673 A 10 LYS HBx A 10 LYS HEy 1.0 1.825 3.809 736 674 A 62 PRO HA A 67 MET HBy 1.0 1.737 3.365 737 675 A 67 MET HBy A 67 MET HBx 1.0 1.627 2.919 738 676 A 67 MET HBy A 9 LEU HDx% 1.0 1.811 3.731 739 677 A 67 MET HBy A 9 LEU HDy% 1.0 1.941 4.679 740 678 A 7 ILE HD1% A 67 MET HBy 1.0 1.797 3.657 741 679 A 47 ILE H A 46 GLN HBy 1.0 1.820 3.782 742 680 A 67 MET HA A 67 MET HBx 1.0 1.777 3.553 743 681 A 47 ILE HB A 47 ILE H 1.0 1.705 3.219 744 682 A 47 ILE HG2% A 47 ILE H 1.0 1.595 2.807 745 683 A 10 LYS HBx A 10 LYS HBy 1.0 1.550 2.654 746 684 A 10 LYS HBx A 72 THR HG2% 1.0 1.785 3.593 747 685 A 72 THR HG2% A 10 LYS HBy 1.0 1.868 4.074 748 686 A 18 VAL HGy% A 10 LYS HBy 1.0 1.703 3.213 749 687 A 36 TYR HE2 A 75 VAL HB 1.0 1.936 4.634 750 687 A 36 TYR HE1 A 75 VAL HB 1.0 1.936 4.634 751 688 A 43 SER H A 43 SER HBy 1.0 1.701 3.203 752 689 A 75 VAL HA A 75 VAL HB 1.0 1.696 3.184 753 690 A 75 VAL HB A 13 GLY HAx 1.0 1.814 3.746 754 691 A 75 VAL HB A 13 GLY HAy 1.0 1.860 4.028 755 692 A 43 SER H A 42 LEU HBy 1.0 1.740 3.376 756 693 A 43 SER H A 42 LEU HBx 1.0 1.746 3.404 757 694 A 43 SER H A 47 ILE HG2% 1.0 1.979 5.207 758 695 A 67 MET HBx A 9 LEU HDy% 1.0 1.950 4.780 759 696 A 8 ASN HA A 22 LYS HB3 1.0 1.897 4.287 760 697 A 22 LYS HA A 22 LYS HB3 1.0 1.679 3.115 761 698 A 22 LYS HB3 A 22 LYS HEx 1.0 1.829 3.829 762 699 A 22 LYS HGx A 22 LYS HB3 1.0 1.703 3.213 763 700 A 22 LYS HGy A 22 LYS HB3 1.0 1.739 3.373 764 701 A 22 LYS HB2 A 6 HIS HBx 1.0 1.932 4.600 765 702 A 22 LYS HB2 A 22 LYS HEx 1.0 1.840 3.896 766 703 A 22 LYS HB2 A 22 LYS HGy 1.0 1.721 3.293 767 704 A 44 MET H A 45 ARG H 1.0 1.824 3.804 768 705 A 67 MET HA A 67 MET HGy 1.0 1.715 3.265 769 706 A 48 ARG HBx A 80 THR HG2% 1.0 1.793 3.633 770 707 A 43 SER HBy A 45 ARG H 1.0 1.942 4.690 771 708 A 43 SER HBx A 45 ARG H 1.0 1.924 4.520 772 709 A 45 ARG HD3 A 45 ARG H 1.0 1.932 4.592 773 709 A 45 ARG HD2 A 45 ARG H 1.0 1.932 4.592 774 710 A 68 GLU HGy A 68 GLU HBx 1.0 1.674 3.096 775 711 A 68 GLU HGx A 68 GLU HBx 1.0 1.731 3.333 776 712 A 68 GLU HBy A 68 GLU HBx 1.0 1.478 2.434 777 713 A 48 ARG HA A 48 ARG HBy 1.0 1.739 3.369 778 714 A 48 ARG HDy A 48 ARG HBy 1.0 1.797 3.657 779 715 A 48 ARG HDx A 48 ARG HBy 1.0 1.753 3.435 780 716 A 66 GLU H A 63 ALA HA 1.0 1.833 3.855 781 717 A 66 GLU H A 66 GLU HA 1.0 1.565 2.703 782 718 A 66 GLU H A 66 GLU HBx 1.0 1.868 4.076 783 719 A 51 PHE HD2 A 67 MET HGy 1.0 1.853 3.975 784 719 A 51 PHE HD1 A 67 MET HGy 1.0 1.853 3.975 785 720 A 66 GLU H A 65 LEU HDy% 1.0 1.957 4.861 786 721 A 65 LEU HDx% A 66 GLU H 1.0 1.986 5.326 787 722 A 65 LEU HBy A 66 GLU H 1.0 1.875 4.123 788 723 A 48 ARG HBx A 48 ARG HDy 1.0 1.845 3.925 789 724 A 48 ARG HBx A 48 ARG HBy 1.0 1.491 2.475 790 725 A 21 PHE HD2 A 11 VAL HB 1.0 1.808 3.712 791 725 A 21 PHE HD1 A 11 VAL HB 1.0 1.808 3.712 792 726 A 49 PHE HDy A 11 VAL HB 1.0 1.814 3.750 793 726 A 49 PHE HDx A 11 VAL HB 1.0 1.814 3.750 794 727 A 14 GLN HE22 A 79 GLN HE21 1.0 1.992 5.490 795 728 A 76 PHE HD2 A 14 GLN HE22 1.0 1.973 5.097 796 728 A 76 PHE HD1 A 14 GLN HE22 1.0 1.973 5.097 797 729 A 14 GLN HE22 A 14 GLN HE21 1.0 1.329 2.037 798 730 A 55 PRO HA A 55 PRO HBx 1.0 1.711 3.245 799 731 A 72 THR H A 51 PHE HD2 1.0 1.865 4.057 800 731 A 72 THR H A 51 PHE HD1 1.0 1.865 4.057 801 732 A 55 PRO HBx A 55 PRO HBy 1.0 1.492 2.478 802 733 A 55 PRO HGy A 55 PRO HBx 1.0 1.661 3.045 803 734 A 72 THR H A 71 ASP H 1.0 1.917 4.453 804 735 A 50 ARG HGy A 55 PRO HBx 1.0 1.944 4.720 805 736 A 72 THR H A 71 ASP HA 1.0 1.576 2.742 806 737 A 72 THR H A 72 THR HB 1.0 1.669 3.079 807 738 A 72 THR H A 71 ASP HBx 1.0 1.848 3.942 808 739 A 72 THR H A 71 ASP HBy 1.0 1.788 3.610 809 740 A 72 THR H A 72 THR HG2% 1.0 1.844 3.920 810 741 A 14 GLN HBx A 14 GLN HE21 1.0 1.993 5.533 811 742 A 14 GLN HA A 14 GLN HE21 1.0 1.996 5.654 812 743 A 24 LYS HBx A 24 LYS HEy 1.0 1.885 4.193 813 744 A 31 LYS HBx A 31 LYS HEx 1.0 1.882 4.172 814 745 A 39 ARG H A 40 GLN H 1.0 1.686 3.144 815 746 A 49 PHE HDy A 33 MET HGy 1.0 1.931 4.583 816 746 A 49 PHE HDx A 33 MET HGy 1.0 1.931 4.583 817 747 A 33 MET HGx A 33 MET HGy 1.0 1.655 3.021 818 748 A 40 GLN HA A 40 GLN H 1.0 1.754 3.442 819 749 A 49 PHE HE2 A 33 MET HGy 1.0 1.942 4.688 820 749 A 49 PHE HE1 A 33 MET HGy 1.0 1.942 4.688 821 750 A 30 SER HA A 33 MET HGy 1.0 1.932 4.592 822 751 A 37 CYS HA A 40 GLN H 1.0 1.931 4.581 823 752 A 39 ARG HBy A 40 GLN H 1.0 1.695 3.179 824 753 A 20 GLN HBy A 20 GLN HBx 1.0 1.399 2.217 825 754 A 40 GLN HBx A 40 GLN H 1.0 1.704 3.220 826 755 A 4 ASN HD21 A 4 ASN HD22 1.0 1.432 2.306 827 756 A 4 ASN HBy A 4 ASN HD21 1.0 1.892 4.252 828 757 A 4 ASN HBx A 4 ASN HD21 1.0 1.894 4.266 829 758 A 63 ALA HB% A 25 ARG HBy 1.0 1.849 3.955 830 759 A 37 CYS HA A 40 GLN HBx 1.0 1.926 4.538 831 760 A 40 GLN HBx A 40 GLN HBy 1.0 1.612 2.862 832 761 A 4 ASN HBy A 4 ASN HD22 1.0 1.932 4.598 833 762 A 40 GLN HBx A 42 LEU HD11 1.0 1.708 3.236 834 763 A 76 PHE HD2 A 79 GLN HE21 1.0 1.965 4.963 835 763 A 76 PHE HD1 A 79 GLN HE21 1.0 1.965 4.963 836 764 A 78 GLN HA A 78 GLN HBy 1.0 1.617 2.881 837 765 A 77 GLN HBx A 77 GLN HA 1.0 1.698 3.194 838 766 A 36 TYR HDy A 39 ARG HBx 1.0 1.876 4.134 839 766 A 36 TYR HDx A 39 ARG HBx 1.0 1.876 4.134 840 767 A 46 GLN HE22 A 77 GLN HE22 1.0 1.973 5.095 841 768 A 78 GLN HBx A 46 GLN HA 1.0 1.838 3.886 842 769 A 54 GLN HE21 A 54 GLN HE22 1.0 1.200 1.742 843 770 A 45 ARG HB2 A 45 ARG HD3 1.0 1.681 3.123 844 770 A 45 ARG HB2 A 45 ARG HD2 1.0 1.681 3.123 845 771 A 65 LEU HDy% A 54 GLN HE21 1.0 1.992 5.510 846 772 A 25 ARG HA A 25 ARG HBy 1.0 1.821 3.783 847 773 A 7 ILE HD1% A 25 ARG HGx 1.0 1.932 4.586 848 774 A 25 ARG HA A 25 ARG HGy 1.0 1.816 3.758 849 775 A 63 ALA HB% A 25 ARG HGy 1.0 1.909 4.379 850 776 A 79 GLN HE21 A 79 GLN HE22 1.0 1.262 1.878 851 777 A 7 ILE HD1% A 25 ARG HGy 1.0 1.871 4.097 852 778 A 44 MET HE1 A 34 LYS HDy 1.0 1.830 3.836 853 779 A 46 GLN HE22 A 46 GLN HE21 1.0 1.327 2.031 854 780 A 46 GLN HA A 46 GLN HE22 1.0 1.984 5.290 855 781 A 46 GLN HE22 A 46 GLN HGx 1.0 1.823 3.799 856 782 A 46 GLN HBy A 46 GLN HE22 1.0 1.986 5.356 857 783 A 46 GLN HE22 A 42 LEU HD21 1.0 1.974 5.118 858 784 A 80 THR HB A 81 GLY H 1.0 1.987 5.381 859 785 A 29 LEU HG A 29 LEU HA 1.0 1.726 3.312 860 786 A 6 HIS HD2 A 22 LYS HDx 1.0 1.923 4.511 861 787 A 25 ARG HGy A 25 ARG HGx 1.0 1.512 2.534 862 788 A 28 PRO HDy A 31 LYS HDx 1.0 1.908 4.374 863 789 A 72 THR HA A 10 LYS HD3 1.0 1.787 3.605 864 789 A 72 THR HA A 10 LYS HD2 1.0 1.787 3.605 865 790 A 70 GLU HA A 10 LYS HD3 1.0 1.863 4.043 866 790 A 70 GLU HA A 10 LYS HD2 1.0 1.863 4.043 867 791 A 20 GLN HGx A 10 LYS HD3 1.0 1.908 4.376 868 791 A 20 GLN HGx A 10 LYS HD2 1.0 1.908 4.376 869 792 A 10 LYS HBx A 10 LYS HD3 1.0 1.655 3.019 870 792 A 10 LYS HBx A 10 LYS HD2 1.0 1.655 3.019 871 793 A 72 THR HG2% A 10 LYS HD2 1.0 1.895 4.273 872 793 A 72 THR HG2% A 10 LYS HD3 1.0 1.895 4.273 873 794 A 6 HIS HBy A 22 LYS HDx 1.0 1.854 3.982 874 795 A 6 HIS HBx A 22 LYS HDx 1.0 1.851 3.963 875 796 A 20 GLN HE22 A 20 GLN HE21 1.0 1.349 2.087 876 797 A 20 GLN HGx A 20 GLN HE21 1.0 1.883 4.185 877 798 A 20 GLN HBy A 20 GLN HE21 1.0 1.996 5.662 878 799 A 73 ILE HG1y A 73 ILE HG1x 1.0 1.530 2.592 879 800 A 73 ILE HD1% A 73 ILE HG1x 1.0 1.554 2.668 880 801 A 78 GLN HE21 A 78 GLN HE22 1.0 1.306 1.982 881 802 A 73 ILE HG1y A 51 PHE HD2 1.0 1.919 4.469 882 802 A 73 ILE HG1y A 51 PHE HD1 1.0 1.919 4.469 883 803 A 73 ILE HA A 73 ILE HG1y 1.0 1.858 4.010 884 804 A 73 ILE HB A 73 ILE HG1y 1.0 1.821 3.787 885 805 A 80 THR HG2% A 81 GLY H 1.0 1.981 5.245 886 806 A 28 PRO HGy A 28 PRO HDx 1.0 1.679 3.119 887 807 A 20 GLN HBy A 20 GLN HE22 1.0 1.995 5.613 888 808 A 18 VAL HGy% A 20 GLN HE22 1.0 1.954 4.834 889 809 A 61 THR HG2% A 28 PRO HGy 1.0 1.782 3.578 890 810 A 55 PRO HDy A 55 PRO HGx 1.0 1.689 3.157 891 811 A 50 ARG HGx A 55 PRO HA 1.0 1.832 3.846 892 812 A 76 PHE HD2 A 50 ARG HGy 1.0 1.950 4.790 893 812 A 76 PHE HD1 A 50 ARG HGy 1.0 1.950 4.790 894 813 A 50 ARG HGy A 55 PRO HA 1.0 1.756 3.450 895 814 A 50 ARG HGy A 55 PRO HBy 1.0 1.934 4.608 896 815 A 50 ARG HBy A 50 ARG HGy 1.0 1.754 3.440 897 816 A 45 ARG HG3 A 45 ARG HE 1.0 1.901 4.321 898 816 A 45 ARG HG2 A 45 ARG HE 1.0 1.901 4.321 899 817 A 60 ASP HBy A 65 LEU HG 1.0 1.859 4.019 900 818 A 65 LEU HDx% A 65 LEU HG 1.0 1.608 2.852 901 819 A 64 GLN HE2x A 64 GLN HE2y 1.0 1.335 2.051 902 820 A 61 THR HG2% A 64 GLN HE2x 1.0 1.989 5.419 903 821 A 64 GLN HBy A 65 LEU HG 1.0 1.804 3.692 904 822 A 9 LEU HA A 9 LEU HG 1.0 1.833 3.853 905 823 A 21 PHE HD2 A 32 LEU HG 1.0 1.662 3.048 906 823 A 21 PHE HD1 A 32 LEU HG 1.0 1.662 3.048 907 824 A 32 LEU HG A 32 LEU HA 1.0 1.682 3.128 908 825 A 21 PHE HBx A 32 LEU HG 1.0 1.673 3.091 909 826 A 21 PHE HBy A 32 LEU HG 1.0 1.646 2.990 910 827 A 12 ALA H A 73 ILE HB 1.0 1.941 4.683 911 828 A 32 LEU HG A 32 LEU HDx% 1.0 1.423 2.279 912 829 A 12 ALA H A 11 VAL HB 1.0 1.960 4.908 913 830 A 12 ALA H A 12 ALA HB% 1.0 1.662 3.050 914 831 A 12 ALA H A 72 THR HG2% 1.0 1.800 3.672 915 832 A 12 ALA H A 75 VAL HGy% 1.0 1.945 4.731 916 833 A 12 ALA H A 11 VAL HGy% 1.0 1.764 3.492 917 834 A 19 VAL HGy% A 39 ARG HGx 1.0 1.852 3.972 918 835 A 11 VAL HGy% A 13 GLY H 1.0 1.996 5.644 919 836 A 48 ARG HA A 48 ARG HGy 1.0 1.809 3.719 920 837 A 48 ARG HDx A 48 ARG HGy 1.0 1.744 3.394 921 838 A 48 ARG HDy A 48 ARG HGy 1.0 1.716 3.268 922 839 A 12 ALA HA A 13 GLY H 1.0 1.538 2.618 923 840 A 18 VAL HA A 13 GLY H 1.0 1.816 3.758 924 841 A 48 ARG HDx A 48 ARG HGx 1.0 1.740 3.376 925 842 A 48 ARG HDy A 48 ARG HGx 1.0 1.742 3.388 926 843 A 13 GLY H A 13 GLY HAy 1.0 1.658 3.032 927 844 A 12 ALA HB% A 13 GLY H 1.0 1.710 3.244 928 845 A 27 THR HB A 23 ILE HG1x 1.0 1.803 3.685 929 846 A 23 ILE HG1x A 23 ILE HD1% 1.0 1.565 2.703 930 847 A 75 VAL HGy% A 13 GLY H 1.0 1.989 5.413 931 848 A 42 LEU H A 41 GLY H 1.0 1.643 2.975 932 849 A 37 CYS HA A 42 LEU HG 1.0 1.893 4.257 933 850 A 41 GLY HAy A 41 GLY H 1.0 1.545 2.639 934 851 A 37 CYS HA A 41 GLY H 1.0 1.988 5.410 935 852 A 40 GLN HBy A 41 GLY H 1.0 1.890 4.234 936 853 A 40 GLN HBx A 41 GLY H 1.0 1.811 3.731 937 854 A 56 ILE HA A 56 ILE HG1y 1.0 1.796 3.650 938 855 A 51 PHE HBx A 56 ILE HG1y 1.0 1.903 4.335 939 856 A 40 GLN HA A 40 GLN HE21 1.0 1.961 4.915 940 857 A 7 ILE HD1% A 7 ILE HG1y 1.0 1.652 3.012 941 858 A 40 GLN HBx A 40 GLN HE21 1.0 1.951 4.805 942 859 A 32 LEU HBx A 32 LEU HDx% 1.0 1.753 3.433 943 860 A 21 PHE HD1 A 32 LEU HDx% 1.0 1.846 3.932 944 860 A 21 PHE HD2 A 32 LEU HDx% 1.0 1.846 3.932 945 861 A 21 PHE HBx A 32 LEU HDx% 1.0 1.939 4.667 946 862 A 51 PHE HD2 A 52 ASP H 1.0 1.800 3.674 947 862 A 51 PHE HD1 A 52 ASP H 1.0 1.800 3.674 948 863 A 62 PRO HA A 9 LEU HDy% 1.0 1.888 4.222 949 864 A 62 PRO HDy A 9 LEU HDy% 1.0 1.905 4.351 950 865 A 51 PHE HBx A 52 ASP H 1.0 1.943 4.707 951 866 A 52 ASP H A 51 PHE HBy 1.0 1.969 5.043 952 867 A 21 PHE HBy A 9 LEU HDy% 1.0 1.893 4.261 953 868 A 9 LEU HDy% A 62 PRO HGx 1.0 1.767 3.503 954 869 A 9 LEU HBy A 9 LEU HDy% 1.0 1.548 2.648 955 870 A 57 ASN HD21 A 82 GLY H 1.0 1.917 4.451 956 871 A 32 LEU HDy% A 9 LEU HDy% 1.0 1.768 3.510 957 872 A 29 LEU HA A 9 LEU HDy% 1.0 1.914 4.420 958 873 A 29 LEU HDx% A 61 THR HA 1.0 1.817 3.761 959 874 A 29 LEU HDx% A 62 PRO HA 1.0 1.774 3.538 960 875 A 29 LEU HDx% A 60 ASP HBy 1.0 1.682 3.126 961 876 A 60 ASP HBx A 29 LEU HDx% 1.0 1.725 3.307 962 877 A 29 LEU HDx% A 29 LEU HBx 1.0 1.517 2.551 963 878 A 29 LEU HDx% A 29 LEU HBy 1.0 1.632 2.936 964 879 A 61 THR H A 64 GLN H 1.0 1.876 4.134 965 880 A 60 ASP H A 61 THR H 1.0 1.976 5.154 966 881 A 61 THR HA A 61 THR H 1.0 1.884 4.188 967 882 A 80 THR HB A 48 ARG HGy 1.0 1.950 4.782 968 883 A 61 THR HB A 61 THR H 1.0 1.944 4.720 969 884 A 24 LYS HGy A 6 HIS HD1 1.0 1.922 4.494 970 885 A 61 THR H A 62 PRO HDy 1.0 1.990 5.450 971 886 A 61 THR H A 60 ASP HBy 1.0 1.856 3.998 972 887 A 10 LYS HBx A 10 LYS HGy 1.0 1.730 3.332 973 888 A 61 THR H A 64 GLN HBx 1.0 1.771 3.521 974 889 A 36 TYR HDy A 42 LEU HD11 1.0 1.741 3.377 975 889 A 36 TYR HDx A 42 LEU HD11 1.0 1.741 3.377 976 890 A 61 THR HG2% A 61 THR H 1.0 1.714 3.258 977 891 A 61 THR H A 65 LEU HDx% 1.0 1.947 4.749 978 892 A 37 CYS HA A 42 LEU HD11 1.0 1.702 3.214 979 893 A 14 GLN H A 16 GLY H 1.0 1.976 5.146 980 894 A 13 GLY H A 16 GLY H 1.0 1.971 5.073 981 895 A 15 ASP H A 16 GLY H 1.0 1.633 2.941 982 896 A 75 VAL HGy% A 42 LEU HD11 1.0 1.917 4.451 983 897 A 15 ASP HA A 16 GLY H 1.0 1.789 3.615 984 898 A 51 PHE HD2 A 65 LEU HDx% 1.0 1.749 3.415 985 898 A 51 PHE HD1 A 65 LEU HDx% 1.0 1.749 3.415 986 899 A 16 GLY H A 16 GLY HAy 1.0 1.571 2.723 987 900 A 15 ASP HBy A 16 GLY H 1.0 1.946 4.744 988 901 A 62 PRO HA A 65 LEU HDx% 1.0 1.765 3.495 989 902 A 65 LEU HDx% A 60 ASP HBy 1.0 1.583 2.763 990 903 A 14 GLN HBx A 16 GLY H 1.0 1.982 5.244 991 904 A 60 ASP HBx A 65 LEU HDx% 1.0 1.634 2.946 992 905 A 64 GLN HBy A 65 LEU HDx% 1.0 1.898 4.294 993 906 A 25 ARG HE A 25 ARG HGx 1.0 1.989 5.411 994 907 A 56 ILE HA A 29 LEU HDx% 1.0 1.878 4.148 995 908 A 37 CYS HBx A 42 LEU H 1.0 1.949 4.783 996 909 A 44 MET HE1 A 34 LYS HGx 1.0 1.791 3.625 997 910 A 10 LYS HBx A 10 LYS HGx 1.0 1.729 3.327 998 911 A 6 HIS HD2 A 22 LYS HGx 1.0 1.923 4.507 999 912 A 22 LYS HGy A 6 HIS HBx 1.0 1.881 4.165 1000 913 A 6 HIS HD2 A 22 LYS HGy 1.0 1.831 3.845 1001 914 A 6 HIS HBy A 22 LYS HGy 1.0 1.895 4.267 1002 915 A 72 THR HA A 9 LEU HDx% 1.0 1.928 4.546 1003 916 A 9 LEU HA A 9 LEU HDx% 1.0 1.456 2.372 1004 917 A 69 ASP HA A 9 LEU HDx% 1.0 1.824 3.802 1005 918 A 70 GLU HA A 9 LEU HDx% 1.0 1.915 4.437 1006 919 A 71 ASP HBx A 9 LEU HDx% 1.0 1.638 2.960 1007 920 A 9 LEU HDx% A 71 ASP HBy 1.0 1.673 3.093 1008 921 A 7 ILE HD1% A 9 LEU HDx% 1.0 1.542 2.628 1009 922 A 61 THR HA A 29 LEU HDy% 1.0 1.799 3.665 1010 923 A 61 THR HB A 29 LEU HDy% 1.0 1.920 4.478 1011 924 A 62 PRO HA A 29 LEU HDy% 1.0 1.822 3.792 1012 925 A 62 PRO HGx A 29 LEU HDy% 1.0 1.718 3.276 1013 926 A 21 PHE HD1 A 32 LEU HDy% 1.0 1.680 3.122 1014 926 A 21 PHE HD2 A 32 LEU HDy% 1.0 1.680 3.122 1015 927 A 49 PHE HDx A 32 LEU HDy% 1.0 1.730 3.330 1016 927 A 49 PHE HDy A 32 LEU HDy% 1.0 1.730 3.330 1017 928 A 49 PHE HE1 A 32 LEU HDy% 1.0 1.760 3.472 1018 928 A 49 PHE HE2 A 32 LEU HDy% 1.0 1.760 3.472 1019 929 A 29 LEU HA A 32 LEU HDy% 1.0 1.880 4.158 1020 930 A 32 LEU HDy% A 33 MET HA 1.0 1.587 2.779 1021 931 A 21 PHE HBy A 32 LEU HDy% 1.0 1.832 3.850 1022 932 A 73 ILE HG2% A 32 LEU HDy% 1.0 1.770 3.514 1023 933 A 32 LEU HDy% A 32 LEU HDx% 1.0 1.386 2.180 1024 934 A 32 LEU HG A 32 LEU HDy% 1.0 1.454 2.366 1025 935 A 20 GLN HA A 19 VAL HGx% 1.0 1.883 4.181 1026 936 A 19 VAL HA A 19 VAL HGx% 1.0 1.488 2.464 1027 937 A 19 VAL HGx% A 39 ARG HDx 1.0 1.640 2.964 1028 938 A 19 VAL HB A 19 VAL HGx% 1.0 1.432 2.306 1029 939 A 72 THR HA A 72 THR HG2% 1.0 1.461 2.385 1030 940 A 11 VAL HA A 72 THR HG2% 1.0 1.723 3.299 1031 941 A 72 THR HB A 72 THR HG2% 1.0 1.373 2.147 1032 942 A 72 THR HG2% A 10 LYS HEy 1.0 1.832 3.846 1033 943 A 64 GLN HA A 65 LEU HDy% 1.0 1.922 4.494 1034 944 A 54 GLN HGx A 65 LEU HDy% 1.0 1.625 2.913 1035 945 A 64 GLN HBy A 65 LEU HDy% 1.0 1.841 3.905 1036 946 A 51 PHE HD2 A 65 LEU HDy% 1.0 1.743 3.393 1037 946 A 51 PHE HD1 A 65 LEU HDy% 1.0 1.743 3.393 1038 947 A 65 LEU HA A 65 LEU HDy% 1.0 1.399 2.215 1039 948 A 60 ASP HBy A 65 LEU HDy% 1.0 1.759 3.461 1040 949 A 65 LEU HDy% A 65 LEU HG 1.0 1.407 2.237 1041 950 A 65 LEU HBx A 65 LEU HDy% 1.0 1.649 3.001 1042 951 A 29 LEU HDx% A 65 LEU HDy% 1.0 1.800 3.672 1043 952 A 42 LEU HD21 A 42 LEU HA 1.0 1.467 2.403 1044 953 A 42 LEU HD21 A 42 LEU HG 1.0 1.414 2.254 1045 954 A 19 VAL HGy% A 11 VAL HGx% 1.0 1.832 3.850 1046 955 A 11 VAL HGy% A 49 PHE HZ 1.0 1.744 3.392 1047 956 A 11 VAL HGy% A 49 PHE HE1 1.0 1.690 3.160 1048 956 A 11 VAL HGy% A 49 PHE HE2 1.0 1.690 3.160 1049 957 A 11 VAL HGy% A 36 TYR HE2 1.0 1.654 3.020 1050 957 A 11 VAL HGy% A 36 TYR HE1 1.0 1.654 3.020 1051 958 A 11 VAL HA A 11 VAL HGy% 1.0 1.505 2.517 1052 959 A 11 VAL HGy% A 36 TYR HBy 1.0 1.889 4.229 1053 960 A 11 VAL HGy% A 11 VAL HB 1.0 1.478 2.436 1054 961 A 73 ILE HB A 11 VAL HGy% 1.0 1.736 3.358 1055 962 A 11 VAL HGy% A 75 VAL HB 1.0 1.731 3.335 1056 963 A 11 VAL HGy% A 75 VAL HGy% 1.0 1.460 2.384 1057 964 A 27 THR HB A 27 THR HG2% 1.0 1.446 2.342 1058 965 A 27 THR HG2% A 28 PRO HDy 1.0 1.574 2.734 1059 966 A 27 THR HG2% A 31 LYS HEx 1.0 1.771 3.523 1060 967 A 18 VAL HB A 12 ALA HB% 1.0 1.580 2.754 1061 968 A 59 THR HB A 59 THR HG2% 1.0 1.370 2.142 1062 969 A 11 VAL HGy% A 19 VAL HGy% 1.0 1.814 3.742 1063 970 A 18 VAL HGy% A 19 VAL HA 1.0 1.756 3.450 1064 971 A 18 VAL HGy% A 18 VAL HB 1.0 1.366 2.128 1065 972 A 21 PHE HD1 A 11 VAL HGx% 1.0 1.510 2.532 1066 972 A 21 PHE HD2 A 11 VAL HGx% 1.0 1.510 2.532 1067 973 A 36 TYR HDx A 11 VAL HGx% 1.0 1.680 3.120 1068 973 A 36 TYR HDy A 11 VAL HGx% 1.0 1.680 3.120 1069 974 A 49 PHE HE2 A 11 VAL HGx% 1.0 1.835 3.865 1070 974 A 49 PHE HE1 A 11 VAL HGx% 1.0 1.835 3.865 1071 975 A 36 TYR HE2 A 11 VAL HGx% 1.0 1.805 3.699 1072 975 A 36 TYR HE1 A 11 VAL HGx% 1.0 1.805 3.699 1073 976 A 36 TYR HBy A 11 VAL HGx% 1.0 1.867 4.071 1074 977 A 21 PHE HBy A 11 VAL HGx% 1.0 1.850 3.960 1075 978 A 11 VAL HB A 11 VAL HGx% 1.0 1.468 2.406 1076 979 A 11 VAL HGx% A 32 LEU HDy% 1.0 1.541 2.625 1077 980 A 11 VAL HGy% A 11 VAL HGx% 1.0 1.385 2.179 1078 981 A 36 TYR HE2 A 75 VAL HGx% 1.0 1.627 2.917 1079 981 A 36 TYR HE1 A 75 VAL HGx% 1.0 1.627 2.917 1080 982 A 75 VAL HGx% A 13 GLY HAx 1.0 1.820 3.778 1081 983 A 75 VAL HGx% A 13 GLY HAy 1.0 1.835 3.869 1082 984 A 75 VAL HGx% A 14 GLN HGy 1.0 1.834 3.864 1083 985 A 75 VAL HGx% A 14 GLN HBx 1.0 1.833 3.859 1084 986 A 75 VAL HGx% A 75 VAL HB 1.0 1.508 2.524 1085 987 A 49 PHE HZ A 75 VAL HGy% 1.0 1.824 3.804 1086 988 A 49 PHE HE1 A 75 VAL HGy% 1.0 1.672 3.088 1087 988 A 49 PHE HE2 A 75 VAL HGy% 1.0 1.672 3.088 1088 989 A 36 TYR HE2 A 75 VAL HGy% 1.0 1.613 2.867 1089 989 A 36 TYR HE1 A 75 VAL HGy% 1.0 1.613 2.867 1090 990 A 49 PHE HA A 75 VAL HGy% 1.0 1.702 3.208 1091 991 A 75 VAL HA A 75 VAL HGy% 1.0 1.595 2.803 1092 992 A 75 VAL HGy% A 13 GLY HAy 1.0 1.828 3.826 1093 993 A 75 VAL HGy% A 11 VAL HB 1.0 1.806 3.702 1094 994 A 75 VAL HGy% A 75 VAL HB 1.0 1.507 2.519 1095 995 A 73 ILE HG2% A 75 VAL HGy% 1.0 1.750 3.422 1096 996 A 75 VAL HGy% A 47 ILE HD1% 1.0 1.588 2.780 1097 997 A 36 TYR HDx A 19 VAL HGy% 1.0 1.647 2.991 1098 997 A 36 TYR HDy A 19 VAL HGy% 1.0 1.647 2.991 1099 998 A 36 TYR HE2 A 19 VAL HGy% 1.0 1.529 2.591 1100 998 A 36 TYR HE1 A 19 VAL HGy% 1.0 1.529 2.591 1101 999 A 18 VAL HA A 19 VAL HGy% 1.0 1.829 3.835 1102 1000 A 19 VAL HGy% A 36 TYR HA 1.0 1.881 4.161 1103 1001 A 19 VAL HGy% A 39 ARG HDx 1.0 1.726 3.316 1104 1002 A 19 VAL HB A 19 VAL HGy% 1.0 1.447 2.345 1105 1003 A 19 VAL HGy% A 19 VAL HGx% 1.0 1.354 2.100 1106 1004 A 61 THR HA A 61 THR HG2% 1.0 1.552 2.660 1107 1005 A 26 HIS HBx A 61 THR HG2% 1.0 1.881 4.161 1108 1006 A 18 VAL HB A 18 VAL HGx% 1.0 1.374 2.150 1109 1007 A 12 ALA HB% A 12 ALA HA 1.0 1.407 2.235 1110 1008 A 12 ALA HB% A 18 VAL HGx% 1.0 1.550 2.656 1111 1009 A 11 VAL HGy% A 12 ALA HB% 1.0 1.889 4.223 1112 1010 A 18 VAL HGy% A 18 VAL HGx% 1.0 1.674 3.096 1113 1011 A 60 ASP HBx A 56 ILE HG2% 1.0 1.773 3.535 1114 1012 A 49 PHE HDy A 56 ILE HG2% 1.0 1.925 4.523 1115 1012 A 49 PHE HDx A 56 ILE HG2% 1.0 1.925 4.523 1116 1013 A 56 ILE HA A 56 ILE HG2% 1.0 1.572 2.726 1117 1014 A 49 PHE HBy A 56 ILE HG2% 1.0 1.648 2.994 1118 1015 A 56 ILE HG2% A 56 ILE HB 1.0 1.463 2.393 1119 1016 A 49 PHE HDy A 47 ILE HG1x 1.0 1.753 3.437 1120 1016 A 49 PHE HDx A 47 ILE HG1x 1.0 1.753 3.437 1121 1017 A 49 PHE HE2 A 47 ILE HG1x 1.0 1.770 3.520 1122 1017 A 49 PHE HE1 A 47 ILE HG1x 1.0 1.770 3.520 1123 1018 A 44 MET HA A 47 ILE HG1x 1.0 1.790 3.616 1124 1019 A 47 ILE HG1y A 77 GLN HG3 1.0 1.600 2.820 1125 1020 A 47 ILE HG2% A 47 ILE HG1x 1.0 1.528 2.586 1126 1021 A 75 VAL HGx% A 47 ILE HG1y 1.0 1.686 3.144 1127 1022 A 21 PHE HD1 A 35 ALA HB1 1.0 1.616 2.880 1128 1022 A 21 PHE HD2 A 35 ALA HB1 1.0 1.616 2.880 1129 1023 A 35 ALA HB1 A 35 ALA HA 1.0 1.391 2.193 1130 1024 A 35 ALA HB1 A 32 LEU HA 1.0 1.614 2.874 1131 1025 A 63 ALA HB% A 26 HIS HA 1.0 1.801 3.673 1132 1026 A 63 ALA HB% A 61 THR HB 1.0 1.863 4.049 1133 1027 A 63 ALA HB% A 63 ALA HA 1.0 1.435 2.313 1134 1028 A 63 ALA HB% A 25 ARG HA 1.0 1.898 4.302 1135 1029 A 63 ALA HB% A 64 GLN HBy 1.0 1.909 4.389 1136 1030 A 63 ALA HB% A 62 PRO HBx 1.0 1.951 4.791 1137 1031 A 25 ARG HBx A 63 ALA HB% 1.0 1.651 3.009 1138 1032 A 73 ILE HG2% A 49 PHE HDx 1.0 1.547 2.645 1139 1032 A 73 ILE HG2% A 49 PHE HDy 1.0 1.547 2.645 1140 1033 A 73 ILE HG2% A 49 PHE HE2 1.0 1.783 3.581 1141 1033 A 73 ILE HG2% A 49 PHE HE1 1.0 1.783 3.581 1142 1034 A 11 VAL HA A 73 ILE HG2% 1.0 1.778 3.554 1143 1035 A 73 ILE HG2% A 75 VAL HA 1.0 1.883 4.181 1144 1036 A 73 ILE HG2% A 49 PHE HBy 1.0 1.703 3.213 1145 1037 A 73 ILE HG2% A 49 PHE HBx 1.0 1.682 3.128 1146 1038 A 73 ILE HB A 73 ILE HG2% 1.0 1.526 2.578 1147 1039 A 73 ILE HG2% A 73 ILE HG1x 1.0 1.673 3.089 1148 1040 A 73 ILE HG2% A 11 VAL HGy% 1.0 1.682 3.128 1149 1041 A 32 LEU HDy% A 33 MET HE% 1.0 1.908 4.374 1150 1042 A 63 ALA HB% A 66 GLU HA 1.0 1.925 4.525 1151 1043 A 49 PHE HDx A 33 MET HE% 1.0 1.678 3.110 1152 1043 A 49 PHE HDy A 33 MET HE% 1.0 1.678 3.110 1153 1044 A 49 PHE HE1 A 33 MET HE% 1.0 1.826 3.810 1154 1044 A 49 PHE HE2 A 33 MET HE% 1.0 1.826 3.810 1155 1045 A 49 PHE HA A 33 MET HE% 1.0 1.907 4.363 1156 1046 A 56 ILE HA A 33 MET HE% 1.0 1.942 4.696 1157 1047 A 58 GLU HA A 33 MET HE% 1.0 1.612 2.864 1158 1048 A 49 PHE HBy A 33 MET HE% 1.0 1.697 3.191 1159 1049 A 49 PHE HBx A 33 MET HE% 1.0 1.766 3.498 1160 1050 A 33 MET HE% A 58 GLU HGy 1.0 1.761 3.473 1161 1051 A 33 MET HE% A 44 MET HE1 1.0 1.727 3.317 1162 1052 A 33 MET HGx A 33 MET HE% 1.0 1.734 3.346 1163 1053 A 33 MET HE% A 29 LEU HBy 1.0 1.774 3.538 1164 1054 A 56 ILE HG2% A 33 MET HE% 1.0 1.537 2.615 1165 1055 A 33 MET HE% A 33 MET HGy 1.0 1.690 3.160 1166 1056 A 22 LYS HA A 23 ILE HG2% 1.0 1.904 4.346 1167 1057 A 21 PHE HBy A 23 ILE HG2% 1.0 1.823 3.799 1168 1058 A 23 ILE HG2% A 32 LEU HDy% 1.0 1.889 4.223 1169 1059 A 21 PHE HBx A 23 ILE HG2% 1.0 1.795 3.643 1170 1060 A 23 ILE HB A 23 ILE HG2% 1.0 1.523 2.571 1171 1061 A 23 ILE HG2% A 29 LEU HA 1.0 1.945 4.721 1172 1062 A 7 ILE HG2% A 7 ILE HA 1.0 1.672 3.086 1173 1063 A 7 ILE HG2% A 25 ARG HA 1.0 1.821 3.789 1174 1064 A 7 ILE HG2% A 69 ASP HBx 1.0 1.717 3.275 1175 1065 A 7 ILE HG2% A 7 ILE HB 1.0 1.547 2.645 1176 1066 A 7 ILE HG2% A 25 ARG HGx 1.0 1.621 2.895 1177 1067 A 7 ILE HG2% A 25 ARG HGy 1.0 1.657 3.029 1178 1068 A 56 ILE HD1% A 51 PHE HD1 1.0 1.822 3.790 1179 1068 A 56 ILE HD1% A 51 PHE HD2 1.0 1.822 3.790 1180 1069 A 49 PHE HDx A 56 ILE HD1% 1.0 1.785 3.591 1181 1069 A 49 PHE HDy A 56 ILE HD1% 1.0 1.785 3.591 1182 1070 A 56 ILE HD1% A 51 PHE HA 1.0 1.768 3.508 1183 1071 A 49 PHE HBy A 56 ILE HD1% 1.0 1.652 3.010 1184 1072 A 49 PHE HBx A 56 ILE HD1% 1.0 1.697 3.189 1185 1073 A 56 ILE HD1% A 56 ILE HB 1.0 1.565 2.703 1186 1074 A 49 PHE HZ A 47 ILE HD1% 1.0 1.685 3.143 1187 1075 A 36 TYR HDx A 47 ILE HD1% 1.0 1.655 3.023 1188 1075 A 36 TYR HDy A 47 ILE HD1% 1.0 1.655 3.023 1189 1076 A 49 PHE HE1 A 47 ILE HD1% 1.0 1.737 3.363 1190 1076 A 49 PHE HE2 A 47 ILE HD1% 1.0 1.737 3.363 1191 1077 A 23 ILE HD1% A 29 LEU HA 1.0 1.672 3.090 1192 1078 A 23 ILE HD1% A 32 LEU HA 1.0 1.857 4.003 1193 1079 A 73 ILE HD1% A 51 PHE HD2 1.0 1.893 4.261 1194 1079 A 73 ILE HD1% A 51 PHE HD1 1.0 1.893 4.261 1195 1080 A 73 ILE HD1% A 49 PHE HDy 1.0 1.815 3.753 1196 1080 A 73 ILE HD1% A 49 PHE HDx 1.0 1.815 3.753 1197 1081 A 73 ILE HA A 73 ILE HD1% 1.0 1.832 3.852 1198 1082 A 73 ILE HD1% A 49 PHE HBx 1.0 1.906 4.362 1199 1083 A 73 ILE HD1% A 9 LEU HG 1.0 1.721 3.291 1200 1084 A 7 ILE HD1% A 25 ARG HA 1.0 1.839 3.891 1201 1085 A 7 ILE HD1% A 62 PRO HBy 1.0 1.669 3.077 1202 1086 A 7 ILE HD1% A 7 ILE HB 1.0 1.594 2.800 1203 1087 A 7 ILE HG1x A 7 ILE HD1% 1.0 1.532 2.598 1204 1088 A 7 ILE HD1% A 71 ASP HBx 1.0 1.913 4.419 1205 1089 A 9 LEU HA A 9 LEU HBx 1.0 1.763 3.483 1206 1090 A 9 LEU HBx A 9 LEU HDy% 1.0 1.674 3.094 1207 1091 A 9 LEU HBx A 32 LEU HG 1.0 1.850 3.956 1208 1092 A 9 LEU HBy A 9 LEU HBx 1.0 1.543 2.633 1209 1093 A 9 LEU HBy A 32 LEU HG 1.0 1.893 4.261 1210 1094 A 42 LEU HBy A 42 LEU HA 1.0 1.776 3.544 1211 1095 A 42 LEU HBx A 42 LEU HBy 1.0 1.582 2.760 1212 1096 A 42 LEU HBy A 47 ILE HD1% 1.0 1.906 4.356 1213 1097 A 42 LEU HBx A 42 LEU HA 1.0 1.816 3.756 1214 1098 A 23 ILE HD1% A 23 ILE HB 1.0 1.634 2.944 1215 1099 A 65 LEU HBy A 51 PHE HD2 1.0 1.864 4.052 1216 1099 A 65 LEU HBy A 51 PHE HD1 1.0 1.864 4.052 1217 1100 A 65 LEU HBy A 65 LEU HA 1.0 1.732 3.338 1218 1101 A 65 LEU HBy A 67 MET HGx 1.0 1.848 3.952 1219 1102 A 7 ILE HB A 69 ASP HBx 1.0 1.821 3.789 1220 1103 A 51 PHE HD2 A 65 LEU HBx 1.0 1.943 4.705 1221 1103 A 51 PHE HD1 A 65 LEU HBx 1.0 1.943 4.705 1222 1104 A 65 LEU HBx A 67 MET HGx 1.0 1.833 3.855 1223 1105 A 32 LEU HA A 32 LEU HBy 1.0 1.756 3.452 1224 1106 A 32 LEU HG A 32 LEU HBy 1.0 1.765 3.489 1225 1107 A 32 LEU HDy% A 32 LEU HBy 1.0 1.762 3.480 1226 1108 A 32 LEU HA A 32 LEU HBx 1.0 1.699 3.201 1227 1109 A 32 LEU HG A 32 LEU HBx 1.0 1.715 3.263 1228 1110 A 32 LEU HBx A 32 LEU HDy% 1.0 1.786 3.598 1229 1111 A 29 LEU HA A 29 LEU HBx 1.0 1.772 3.528 1230 1112 A 47 ILE HB A 77 GLN HA 1.0 1.837 3.883 1231 1113 A 47 ILE HB A 77 GLN HG3 1.0 1.898 4.294 1232 1114 A 29 LEU HA A 29 LEU HBy 1.0 1.749 3.419 1233 1115 A 29 LEU HBx A 29 LEU HBy 1.0 1.632 2.936 1234 1116 A 56 ILE HG2% A 29 LEU HBy 1.0 1.867 4.069 1235 1117 A 73 ILE HB A 73 ILE HG1x 1.0 1.735 3.355 1236 1118 A 73 ILE HB A 73 ILE HD1% 1.0 1.633 2.941 1237 1119 A 47 ILE HG2% A 47 ILE HB 1.0 1.586 2.772 1238 1120 A 73 ILE HB A 9 LEU HBy 1.0 1.839 3.891 1239 1121 A 49 PHE HBy A 56 ILE HB 1.0 1.790 3.618 1240 1122 A 49 PHE HBx A 56 ILE HB 1.0 1.845 3.927 1241 1123 A 56 ILE HB A 56 ILE HG1x 1.0 1.762 3.476 1242 1124 A 36 TYR HDy A 39 ARG HGx 1.0 1.865 4.053 1243 1124 A 36 TYR HDx A 39 ARG HGx 1.0 1.865 4.053 1244 1125 A 73 ILE HG1y A 9 LEU HBy 1.0 1.779 3.559 1245 1126 A 44 MET HE1 A 34 LYS HGy 1.0 1.850 3.960 1246 1127 A 32 LEU HDy% A 29 LEU HDy% 1.0 1.645 2.987 1247 1128 A 61 THR HG2% A 27 THR HA 1.0 1.857 4.005 1248 1129 A 37 CYS HA A 42 LEU HBx 1.0 1.800 3.672 1249 1130 A 29 LEU HA A 32 LEU HBy 1.0 1.907 4.371 1250 1131 A 58 GLU HA A 58 GLU HGy 1.0 1.717 3.271 1251 1132 A 58 GLU HA A 58 GLU HGx 1.0 1.706 3.224 1252 1133 A 33 MET HE% A 58 GLU HGx 1.0 1.857 4.005 1253 1134 A 70 GLU HA A 70 GLU HGx 1.0 1.696 3.188 1254 1135 A 3 GLU HA A 3 GLU HGx 1.0 1.763 3.487 1255 1136 A 3 GLU HBx A 3 GLU HGx 1.0 1.719 3.283 1256 1137 A 10 LYS HA A 20 GLN HGx 1.0 1.854 3.982 1257 1138 A 18 VAL HGy% A 20 GLN HGx 1.0 1.769 3.513 1258 1139 A 20 GLN HA A 20 GLN HGx 1.0 1.716 3.272 1259 1140 A 51 PHE HD2 A 67 MET HGx 1.0 1.858 4.008 1260 1140 A 51 PHE HD1 A 67 MET HGx 1.0 1.858 4.008 1261 1141 A 67 MET HGy A 67 MET HGx 1.0 1.620 2.892 1262 1142 A 55 PRO HA A 55 PRO HBy 1.0 1.635 2.949 1263 1143 A 28 PRO HBx A 61 THR HG2% 1.0 1.782 3.576 1264 1144 A 46 GLN HA A 46 GLN HBy 1.0 1.716 3.270 1265 1145 A 46 GLN HBy A 42 LEU HBy 1.0 1.941 4.683 1266 1146 A 47 ILE HG2% A 46 GLN HBy 1.0 1.934 4.606 1267 1147 A 43 SER HBx A 46 GLN HBy 1.0 1.740 3.374 1268 1148 A 46 GLN HBy A 46 GLN HBx 1.0 1.400 2.220 1269 1149 A 65 LEU HG A 64 GLN HBx 1.0 1.895 4.273 1270 1150 A 55 PRO HGy A 55 PRO HDy 1.0 1.680 3.118 1271 1151 A 55 PRO HGy A 55 PRO HDx 1.0 1.645 2.985 1272 1152 A 66 GLU HA A 66 GLU HBx 1.0 1.731 3.335 1273 1153 A 70 GLU HA A 70 GLU HBx 1.0 1.679 3.117 1274 1154 B 83 ILE H B 20 LYS H 1.0 1.924 4.514 1275 1155 B 83 ILE H B 82 THR HA 1.0 1.639 2.963 1276 1156 B 83 ILE H B 21 VAL HA 1.0 1.825 3.811 1277 1157 B 83 ILE H B 83 ILE HB 1.0 1.757 3.455 1278 1158 B 83 ILE H B 82 THR HG2% 1.0 1.758 3.462 1279 1159 B 83 ILE H B 83 ILE HG2% 1.0 1.915 4.435 1280 1160 B 83 ILE H B 83 ILE HD1% 1.0 1.904 4.344 1281 1161 B 37 THR HB B 34 LYS HBx 1.0 1.713 3.253 1282 1162 B 37 THR HB B 33 ILE HG1y 1.0 1.782 3.576 1283 1163 B 37 THR HB B 33 ILE HD1% 1.0 1.655 3.023 1284 1164 B 90 THR HB B 90 THR HG2% 1.0 1.406 2.232 1285 1165 B 29 VAL H B 28 VAL HA 1.0 1.577 2.741 1286 1166 B 29 VAL H B 22 ALA HB% 1.0 1.946 4.742 1287 1167 B 29 VAL H B 29 VAL HGy% 1.0 1.775 3.537 1288 1168 B 29 VAL H B 28 VAL HGy% 1.0 1.741 3.377 1289 1169 B 69 THR HB B 69 THR HG2% 1.0 1.419 2.269 1290 1170 B 71 THR HB B 71 THR HA 1.0 1.617 2.881 1291 1171 B 71 THR HB B 36 HIS HA 1.0 1.694 3.178 1292 1172 B 83 ILE HG2% B 84 ASP H 1.0 1.777 3.555 1293 1173 B 84 ASP H B 60 ARG H 1.0 1.870 4.090 1294 1174 B 54 MET H B 54 MET HA 1.0 1.886 4.204 1295 1175 B 69 THR HB B 69 THR HA 1.0 1.531 2.595 1296 1176 B 69 THR HB B 38 PRO HBx 1.0 1.869 4.083 1297 1177 B 54 MET H B 53 SER HBx 1.0 1.939 4.663 1298 1178 B 72 PRO HA B 72 PRO HBx 1.0 1.643 2.979 1299 1179 B 72 PRO HA B 72 PRO HBy 1.0 1.737 3.365 1300 1180 B 72 PRO HA B 75 LEU HBy 1.0 1.765 3.493 1301 1181 B 72 PRO HA B 75 LEU HDx% 1.0 1.791 3.621 1302 1182 B 63 GLY H B 62 ASP HA 1.0 1.685 3.141 1303 1183 B 63 GLY H B 63 GLY HAy 1.0 1.624 2.908 1304 1184 B 65 PRO HA B 60 ARG HA 1.0 1.755 3.445 1305 1185 B 65 PRO HA B 65 PRO HBx 1.0 1.722 3.294 1306 1186 B 11 LYS H B 10 VAL HA 1.0 1.532 2.598 1307 1187 B 11 LYS H B 11 LYS HBy 1.0 1.677 3.109 1308 1188 B 90 THR HG2% B 90 THR HA 1.0 1.698 3.196 1309 1189 B 69 THR HB B 69 THR H 1.0 1.915 4.441 1310 1190 B 6 PRO HA B 6 PRO HBx 1.0 1.542 2.628 1311 1191 B 6 PRO HA B 6 PRO HBy 1.0 1.763 3.479 1312 1192 B 71 THR HA B 38 PRO HA 1.0 1.743 3.387 1313 1193 B 38 PRO HBx B 38 PRO HA 1.0 1.596 2.806 1314 1194 B 29 VAL HGy% B 30 GLN H 1.0 1.826 3.818 1315 1195 B 38 PRO HA B 37 THR HG2% 1.0 1.887 4.215 1316 1196 B 38 PRO HA B 71 THR HG2% 1.0 1.533 2.603 1317 1197 B 30 GLN H B 29 VAL HGx% 1.0 1.671 3.085 1318 1198 B 69 THR H B 67 ASN HA 1.0 1.910 4.394 1319 1199 B 46 TYR HA B 46 TYR HD2 1.0 1.527 2.583 1320 1199 B 46 TYR HA B 46 TYR HD1 1.0 1.527 2.583 1321 1200 B 46 TYR HA B 50 GLN HE21 1.0 1.876 4.134 1322 1201 B 46 TYR HA B 46 TYR HBx 1.0 1.703 3.217 1323 1202 B 46 TYR HA B 46 TYR HBy 1.0 1.673 3.095 1324 1203 B 46 TYR HA B 49 ARG HBy 1.0 1.782 3.576 1325 1204 B 31 PHE HA B 31 PHE HD2 1.0 1.776 3.548 1326 1204 B 31 PHE HD1 B 31 PHE HA 1.0 1.776 3.548 1327 1205 B 31 PHE HD2 B 31 PHE HBx 1.0 1.662 3.050 1328 1205 B 31 PHE HD1 B 31 PHE HBx 1.0 1.662 3.050 1329 1206 B 86 PHE H B 86 PHE HBx 1.0 1.856 3.996 1330 1207 B 86 PHE H B 86 PHE HBy 1.0 1.816 3.760 1331 1208 B 86 PHE H B 85 VAL HGx% 1.0 1.806 3.698 1332 1209 B 86 PHE H B 85 VAL HGy% 1.0 1.865 4.055 1333 1210 B 86 PHE H B 57 ILE HG2% 1.0 1.942 4.694 1334 1211 B 86 PHE H B 59 PHE HA 1.0 1.904 4.340 1335 1212 B 46 TYR HD2 B 46 TYR HBx 1.0 1.648 2.996 1336 1212 B 46 TYR HD1 B 46 TYR HBx 1.0 1.648 2.996 1337 1213 B 67 ASN H B 70 ASP HBy 1.0 1.942 4.702 1338 1214 B 67 ASN H B 67 ASN HD21 1.0 1.906 4.364 1339 1215 B 67 ASN HA B 67 ASN H 1.0 1.809 3.719 1340 1216 B 67 ASN H B 66 ILE HA 1.0 1.591 2.789 1341 1217 B 67 ASN H B 67 ASN HBy 1.0 1.748 3.416 1342 1218 B 67 ASN H B 66 ILE HB 1.0 1.795 3.647 1343 1219 B 59 PHE HBx B 59 PHE HD2 1.0 1.716 3.272 1344 1219 B 59 PHE HD1 B 59 PHE HBx 1.0 1.716 3.272 1345 1220 B 59 PHE HD2 B 59 PHE HBy 1.0 1.712 3.254 1346 1220 B 59 PHE HD1 B 59 PHE HBy 1.0 1.712 3.254 1347 1221 B 5 LYS H B 4 GLU HA 1.0 1.596 2.806 1348 1222 B 85 VAL HGx% B 59 PHE HD2 1.0 1.830 3.840 1349 1222 B 85 VAL HGx% B 59 PHE HD1 1.0 1.830 3.840 1350 1223 B 85 VAL HGy% B 59 PHE HD1 1.0 1.692 3.168 1351 1223 B 85 VAL HGy% B 59 PHE HD2 1.0 1.692 3.168 1352 1224 B 82 THR HA B 82 THR HB 1.0 1.656 3.028 1353 1225 B 82 THR HA B 20 LYS HBx 1.0 1.600 2.824 1354 1226 B 82 THR HA B 20 LYS HBy 1.0 1.669 3.075 1355 1227 B 10 VAL HA B 10 VAL HB 1.0 1.546 2.644 1356 1228 B 10 VAL HA B 10 VAL HGy% 1.0 1.443 2.337 1357 1229 B 89 GLN H B 88 GLN HA 1.0 1.706 3.230 1358 1230 B 19 LEU H B 18 ASN HA 1.0 1.594 2.802 1359 1231 B 19 LEU H B 32 LYS HA 1.0 1.897 4.287 1360 1232 B 75 LEU HBx B 61 PHE HD2 1.0 1.806 3.702 1361 1232 B 61 PHE HD1 B 75 LEU HBx 1.0 1.806 3.702 1362 1233 B 19 LEU H B 19 LEU HBy 1.0 1.877 4.137 1363 1234 B 34 LYS H B 33 ILE HA 1.0 1.727 3.315 1364 1235 B 34 LYS H B 34 LYS HA 1.0 1.879 4.149 1365 1236 B 37 THR HB B 34 LYS H 1.0 1.956 4.852 1366 1237 B 86 PHE HA B 86 PHE HD2 1.0 1.750 3.420 1367 1237 B 86 PHE HD1 B 86 PHE HA 1.0 1.750 3.420 1368 1238 B 86 PHE HBx B 86 PHE HD2 1.0 1.686 3.144 1369 1238 B 86 PHE HBx B 86 PHE HD1 1.0 1.686 3.144 1370 1239 B 86 PHE HBy B 86 PHE HD2 1.0 1.671 3.081 1371 1239 B 86 PHE HBy B 86 PHE HD1 1.0 1.671 3.081 1372 1240 B 82 THR HA B 20 LYS HEx 1.0 1.875 4.127 1373 1241 B 28 VAL HA B 22 ALA HA 1.0 1.482 2.446 1374 1242 B 28 VAL HA B 28 VAL HB 1.0 1.626 2.912 1375 1243 B 69 THR HA B 70 ASP H 1.0 1.841 3.907 1376 1244 B 28 VAL HA B 29 VAL HGy% 1.0 1.813 3.741 1377 1245 B 70 ASP HBy B 70 ASP H 1.0 1.751 3.427 1378 1246 B 70 ASP H B 39 LEU HDx% 1.0 1.893 4.259 1379 1247 B 12 THR HA B 12 THR HG2% 1.0 1.470 2.412 1380 1248 B 67 ASN HBy B 70 ASP H 1.0 1.876 4.136 1381 1249 B 85 VAL HB B 46 TYR HE2 1.0 1.640 2.966 1382 1249 B 46 TYR HE1 B 85 VAL HB 1.0 1.640 2.966 1383 1250 B 29 VAL HGx% B 46 TYR HE1 1.0 1.562 2.696 1384 1250 B 29 VAL HGx% B 46 TYR HE2 1.0 1.562 2.696 1385 1251 B 46 TYR HE2 B 49 ARG HDy 1.0 1.851 3.961 1386 1251 B 46 TYR HE1 B 49 ARG HDy 1.0 1.851 3.961 1387 1252 B 18 ASN H B 18 ASN HD21 1.0 1.905 4.351 1388 1253 B 46 TYR HE2 B 21 VAL HGx% 1.0 1.856 3.994 1389 1253 B 46 TYR HE1 B 21 VAL HGx% 1.0 1.856 3.994 1390 1254 B 18 ASN H B 18 ASN HBy 1.0 1.821 3.785 1391 1255 B 18 ASN H B 17 ILE HB 1.0 1.817 3.763 1392 1256 B 18 ASN H B 17 ILE HG1x 1.0 1.904 4.346 1393 1257 B 21 VAL HA B 21 VAL HB 1.0 1.762 3.478 1394 1258 B 21 VAL HA B 83 ILE HB 1.0 1.711 3.249 1395 1259 B 21 VAL HA B 22 ALA HB% 1.0 1.853 3.975 1396 1260 B 13 GLU H B 13 GLU HBy 1.0 1.815 3.749 1397 1261 B 21 VAL HA B 21 VAL HGy% 1.0 1.597 2.811 1398 1262 B 31 PHE HD2 B 32 LYS H 1.0 1.941 4.681 1399 1262 B 31 PHE HD1 B 32 LYS H 1.0 1.941 4.681 1400 1263 B 32 LYS HA B 32 LYS H 1.0 1.838 3.888 1401 1264 B 31 PHE HBx B 32 LYS H 1.0 1.806 3.704 1402 1265 B 32 LYS H B 31 PHE HBy 1.0 1.882 4.168 1403 1266 B 32 LYS H B 31 PHE H 1.0 1.938 4.650 1404 1267 B 32 LYS H B 33 ILE H 1.0 1.919 4.471 1405 1268 B 69 THR HG2% B 69 THR HA 1.0 1.439 2.325 1406 1269 B 46 TYR HD1 B 46 TYR HE2 1.0 1.459 2.381 1407 1269 B 46 TYR HD2 B 46 TYR HE2 1.0 1.459 2.381 1408 1269 B 46 TYR HD2 B 46 TYR HE1 1.0 1.459 2.381 1409 1269 B 46 TYR HD1 B 46 TYR HE1 1.0 1.459 2.381 1410 1270 B 59 PHE HZ B 59 PHE HE2 1.0 1.574 2.736 1411 1270 B 59 PHE HE1 B 59 PHE HZ 1.0 1.574 2.736 1412 1271 B 59 PHE HD2 B 59 PHE HE2 1.0 1.393 2.199 1413 1271 B 59 PHE HD1 B 59 PHE HE2 1.0 1.393 2.199 1414 1271 B 59 PHE HD2 B 59 PHE HE1 1.0 1.393 2.199 1415 1271 B 59 PHE HD1 B 59 PHE HE1 1.0 1.393 2.199 1416 1272 B 71 THR HG2% B 39 LEU H 1.0 1.824 3.802 1417 1273 B 59 PHE HE2 B 43 MET HA 1.0 1.766 3.494 1418 1273 B 59 PHE HE1 B 43 MET HA 1.0 1.766 3.494 1419 1274 B 59 PHE HE2 B 57 ILE HG1y 1.0 1.889 4.229 1420 1274 B 59 PHE HE1 B 57 ILE HG1y 1.0 1.889 4.229 1421 1275 B 59 PHE HE1 B 57 ILE HD1% 1.0 1.707 3.231 1422 1275 B 59 PHE HE2 B 57 ILE HD1% 1.0 1.707 3.231 1423 1276 B 39 LEU H B 39 LEU HG 1.0 1.788 3.606 1424 1277 B 33 ILE H B 17 ILE H 1.0 1.821 3.789 1425 1278 B 32 LYS HA B 33 ILE H 1.0 1.639 2.961 1426 1279 B 82 THR HG2% B 83 ILE HA 1.0 1.850 3.956 1427 1280 B 28 VAL H B 28 VAL HGx% 1.0 1.746 3.404 1428 1281 B 28 VAL HA B 28 VAL H 1.0 1.782 3.578 1429 1282 B 29 VAL HA B 29 VAL HB 1.0 1.609 2.853 1430 1283 B 29 VAL HGx% B 29 VAL HA 1.0 1.494 2.484 1431 1284 B 59 PHE HA B 85 VAL HA 1.0 1.835 3.867 1432 1285 B 78 GLU H B 77 MET HA 1.0 1.648 2.994 1433 1286 B 78 GLU H B 78 GLU HBx 1.0 1.813 3.741 1434 1287 B 78 GLU H B 17 ILE HD1% 1.0 1.916 4.438 1435 1288 B 78 GLU H B 81 ASP HBy 1.0 1.933 4.603 1436 1289 B 61 PHE HD2 B 83 ILE HA 1.0 1.756 3.446 1437 1289 B 61 PHE HD1 B 83 ILE HA 1.0 1.756 3.446 1438 1290 B 83 ILE HA B 61 PHE HA 1.0 1.767 3.505 1439 1291 B 83 ILE HB B 83 ILE HA 1.0 1.718 3.280 1440 1292 B 18 ASN HA B 33 ILE H 1.0 1.931 4.575 1441 1293 B 83 ILE HG2% B 83 ILE HA 1.0 1.658 3.036 1442 1294 B 66 ILE HA B 66 ILE HB 1.0 1.639 2.963 1443 1295 B 66 ILE HA B 66 ILE HG1x 1.0 1.790 3.618 1444 1296 B 66 ILE HA B 66 ILE HG2% 1.0 1.505 2.517 1445 1297 B 44 LYS HA B 47 CYS HBy 1.0 1.716 3.270 1446 1298 B 78 GLU H B 77 MET H 1.0 1.937 4.649 1447 1299 B 78 GLU H B 81 ASP HBx 1.0 1.892 4.246 1448 1300 B 78 GLU H B 77 MET HBy 1.0 1.861 4.029 1449 1301 B 33 ILE HA B 33 ILE HB 1.0 1.554 2.668 1450 1302 B 33 ILE HA B 33 ILE HG1x 1.0 1.668 3.072 1451 1303 B 33 ILE HG1y B 33 ILE HA 1.0 1.755 3.441 1452 1304 B 85 VAL HA B 57 ILE HB 1.0 1.834 3.864 1453 1305 B 17 ILE HA B 17 ILE HG2% 1.0 1.674 3.094 1454 1306 B 60 ARG H B 59 PHE HBy 1.0 1.872 4.100 1455 1307 B 60 ARG H B 60 ARG HBx 1.0 1.805 3.697 1456 1308 B 44 LYS HA B 44 LYS HBy 1.0 1.449 2.351 1457 1309 B 60 ARG H B 66 ILE HD1% 1.0 1.921 4.495 1458 1310 B 60 ARG H B 59 PHE HD2 1.0 1.892 4.244 1459 1310 B 60 ARG H B 59 PHE HD1 1.0 1.892 4.244 1460 1311 B 57 ILE HA B 87 GLN HE22 1.0 1.806 3.702 1461 1312 B 57 ILE HA B 87 GLN HBx 1.0 1.877 4.143 1462 1313 B 57 ILE HA B 87 GLN HBy 1.0 1.850 3.960 1463 1314 B 57 ILE HB B 57 ILE HA 1.0 1.562 2.696 1464 1315 B 8 GLU H B 7 LYS HA 1.0 1.538 2.614 1465 1316 B 8 GLU H B 8 GLU HBy 1.0 1.729 3.323 1466 1317 B 33 ILE HA B 16 HIS HD2 1.0 1.789 3.611 1467 1318 B 20 LYS HBy B 21 VAL H 1.0 1.904 4.338 1468 1319 B 29 VAL HGy% B 21 VAL H 1.0 1.953 4.815 1469 1320 B 29 VAL H B 21 VAL H 1.0 1.755 3.445 1470 1321 B 48 GLU HA B 48 GLU HBy 1.0 1.466 2.400 1471 1322 B 21 VAL HB B 21 VAL H 1.0 1.731 3.337 1472 1323 B 21 VAL HGy% B 21 VAL H 1.0 1.760 3.470 1473 1324 B 21 VAL HGx% B 21 VAL H 1.0 1.921 4.493 1474 1325 B 58 ARG H B 87 GLN H 1.0 1.939 4.669 1475 1326 B 45 ALA H B 45 ALA HA 1.0 1.735 3.353 1476 1327 B 45 ALA H B 45 ALA HB% 1.0 1.561 2.693 1477 1328 B 45 ALA H B 42 LEU HA 1.0 1.874 4.114 1478 1329 B 28 VAL HGx% B 27 SER HA 1.0 1.739 3.369 1479 1330 B 42 LEU H B 42 LEU HBx 1.0 1.718 3.278 1480 1331 B 33 ILE HD1% B 42 LEU H 1.0 1.855 3.993 1481 1332 B 49 ARG HBy B 49 ARG HA 1.0 1.604 2.836 1482 1333 B 42 LEU H B 43 MET H 1.0 1.694 3.178 1483 1334 B 42 LEU H B 41 LYS H 1.0 1.769 3.511 1484 1335 B 74 GLN HA B 74 GLN HBy 1.0 1.526 2.578 1485 1336 B 74 GLN HA B 73 ALA HB% 1.0 1.789 3.615 1486 1337 B 42 LEU H B 41 LYS HBx 1.0 1.830 3.834 1487 1338 B 42 LEU H B 42 LEU HG 1.0 1.904 4.346 1488 1339 B 54 MET HA B 57 ILE HD1% 1.0 1.786 3.596 1489 1340 B 86 PHE HBx B 87 GLN H 1.0 1.799 3.665 1490 1341 B 87 GLN HBx B 87 GLN H 1.0 1.783 3.581 1491 1342 B 24 GLN HA B 24 GLN HBx 1.0 1.491 2.475 1492 1343 B 45 ALA H B 46 TYR H 1.0 1.735 3.355 1493 1344 B 74 GLN HA B 75 LEU HDy% 1.0 1.870 4.090 1494 1345 B 45 ALA H B 44 LYS HBx 1.0 1.685 3.139 1495 1346 B 45 ALA H B 44 LYS H 1.0 1.718 3.278 1496 1347 B 42 LEU H B 39 LEU HA 1.0 1.884 4.184 1497 1348 B 71 THR HA B 39 LEU HG 1.0 1.742 3.388 1498 1349 B 13 GLU HA B 35 ARG HDx 1.0 1.751 3.429 1499 1350 B 7 LYS HA B 7 LYS HD3 1.0 1.577 2.745 1500 1350 B 7 LYS HA B 7 LYS HD2 1.0 1.577 2.745 1501 1351 B 31 PHE HD2 B 31 PHE H 1.0 1.829 3.829 1502 1351 B 31 PHE HD1 B 31 PHE H 1.0 1.829 3.829 1503 1352 B 31 PHE HBx B 31 PHE H 1.0 1.848 3.946 1504 1353 B 16 HIS HA B 16 HIS HBx 1.0 1.756 3.450 1505 1354 B 16 HIS HA B 16 HIS HBy 1.0 1.742 3.384 1506 1355 B 34 LYS HBx B 16 HIS HA 1.0 1.826 3.814 1507 1356 B 16 HIS HA B 34 LYS HGy 1.0 1.813 3.743 1508 1357 B 31 PHE H B 30 GLN HA 1.0 1.563 2.695 1509 1358 B 31 PHE H B 20 LYS HA 1.0 1.864 4.050 1510 1359 B 31 PHE HBy B 31 PHE H 1.0 1.768 3.504 1511 1360 B 17 ILE HB B 79 ASP HA 1.0 1.655 3.023 1512 1361 B 17 ILE HD1% B 79 ASP HA 1.0 1.788 3.604 1513 1362 B 57 ILE HA B 58 ARG H 1.0 1.589 2.785 1514 1363 B 34 LYS HBx B 34 LYS HA 1.0 1.692 3.172 1515 1364 B 34 LYS HA B 34 LYS HGx 1.0 1.737 3.363 1516 1365 B 34 LYS HA B 34 LYS HGy 1.0 1.687 3.149 1517 1366 B 11 LYS HA B 11 LYS HE3 1.0 1.890 4.238 1518 1366 B 11 LYS HA B 11 LYS HE2 1.0 1.890 4.238 1519 1367 B 90 THR H B 89 GLN HA 1.0 1.552 2.662 1520 1368 B 90 THR HA B 90 THR H 1.0 1.791 3.621 1521 1369 B 77 MET HA B 81 ASP HBx 1.0 1.866 4.064 1522 1370 B 77 MET HA B 77 MET HBy 1.0 1.657 3.031 1523 1371 B 59 PHE HA B 59 PHE HD2 1.0 1.721 3.291 1524 1371 B 59 PHE HA B 59 PHE HD1 1.0 1.721 3.291 1525 1372 B 37 THR H B 35 ARG H 1.0 1.949 4.767 1526 1373 B 59 PHE HA B 59 PHE HBy 1.0 1.666 3.064 1527 1374 B 85 VAL HGx% B 59 PHE HA 1.0 1.877 4.143 1528 1375 B 36 HIS HA B 37 THR H 1.0 1.897 4.289 1529 1376 B 37 THR H B 37 THR HA 1.0 1.813 3.737 1530 1377 B 37 THR HB B 37 THR H 1.0 1.657 3.031 1531 1378 B 53 SER HBx B 53 SER HA 1.0 1.753 3.437 1532 1379 B 53 SER HA B 53 SER HBy 1.0 1.772 3.524 1533 1380 B 11 LYS HBx B 11 LYS HZ% 1.0 1.924 4.516 1534 1381 B 11 LYS HA B 11 LYS HD3 1.0 1.660 3.040 1535 1381 B 11 LYS HA B 11 LYS HD2 1.0 1.660 3.040 1536 1382 B 11 LYS HA B 11 LYS HGy 1.0 1.639 2.959 1537 1383 B 32 LYS HA B 32 LYS HGx 1.0 1.695 3.181 1538 1384 B 11 LYS H B 11 LYS HZ% 1.0 1.819 3.775 1539 1385 B 61 PHE HD2 B 61 PHE HA 1.0 1.567 2.709 1540 1385 B 61 PHE HD1 B 61 PHE HA 1.0 1.567 2.709 1541 1386 B 61 PHE HA B 61 PHE HBx 1.0 1.650 3.002 1542 1387 B 61 PHE HA B 61 PHE HBy 1.0 1.682 3.126 1543 1388 B 71 THR HB B 37 THR H 1.0 1.953 4.823 1544 1389 B 81 ASP HBx B 81 ASP HA 1.0 1.730 3.330 1545 1390 B 81 ASP HBy B 81 ASP HA 1.0 1.698 3.196 1546 1391 B 24 GLN H B 23 GLY HAx 1.0 1.818 3.772 1547 1392 B 24 GLN H B 23 GLY HAy 1.0 1.809 3.721 1548 1393 B 24 GLN HBx B 24 GLN H 1.0 1.878 4.150 1549 1394 B 89 GLN HA B 89 GLN HBy 1.0 1.660 3.042 1550 1395 B 81 ASP H B 80 GLU H 1.0 1.743 3.389 1551 1396 B 81 ASP H B 19 LEU HA 1.0 1.939 4.663 1552 1397 B 81 ASP HA B 81 ASP H 1.0 1.756 3.448 1553 1398 B 79 ASP HA B 81 ASP H 1.0 1.846 3.934 1554 1399 B 31 PHE HD2 B 30 GLN HA 1.0 1.833 3.857 1555 1399 B 31 PHE HD1 B 30 GLN HA 1.0 1.833 3.857 1556 1400 B 30 GLN HA B 20 LYS HA 1.0 1.550 2.654 1557 1401 B 81 ASP H B 19 LEU HDy% 1.0 1.755 3.445 1558 1402 B 30 GLN HA B 30 GLN HBy 1.0 1.628 2.922 1559 1403 B 20 LYS HBx B 20 LYS HA 1.0 1.737 3.361 1560 1404 B 20 LYS HBy B 20 LYS HA 1.0 1.648 2.994 1561 1405 B 20 LYS HA B 20 LYS HGx 1.0 1.642 2.974 1562 1406 B 20 LYS HA B 30 GLN HGy 1.0 1.801 3.679 1563 1407 B 28 VAL HGy% B 20 LYS HA 1.0 1.790 3.618 1564 1408 B 64 GLN H B 64 GLN HBx 1.0 1.783 3.581 1565 1409 B 36 HIS HA B 36 HIS HBx 1.0 1.651 3.007 1566 1410 B 11 LYS HBy B 11 LYS HZ% 1.0 1.923 4.501 1567 1411 B 11 LYS HZ% B 9 GLY HAy 1.0 1.634 2.942 1568 1412 B 70 ASP HA B 70 ASP HBx 1.0 1.655 3.023 1569 1413 B 70 ASP HBy B 70 ASP HA 1.0 1.591 2.789 1570 1414 B 87 GLN HA B 58 ARG HGx 1.0 1.738 3.366 1571 1415 B 11 LYS HZ% B 15 ASP HBy 1.0 1.955 4.853 1572 1416 B 87 GLN HBx B 87 GLN HA 1.0 1.818 3.770 1573 1417 B 60 ARG HA B 61 PHE H 1.0 1.630 2.930 1574 1418 B 32 LYS HGx B 5 LYS HA 1.0 1.777 3.551 1575 1419 B 45 ALA HA B 48 GLU HGx 1.0 1.836 3.872 1576 1420 B 45 ALA HA B 45 ALA HB% 1.0 1.400 2.218 1577 1421 B 24 GLN H B 24 GLN HGx 1.0 1.799 3.663 1578 1422 B 60 ARG HA B 60 ARG HBx 1.0 1.664 3.056 1579 1423 B 60 ARG HA B 60 ARG HBy 1.0 1.639 2.965 1580 1424 B 61 PHE HD2 B 61 PHE H 1.0 1.939 4.669 1581 1424 B 61 PHE HD1 B 61 PHE H 1.0 1.939 4.669 1582 1425 B 60 ARG HA B 66 ILE HD1% 1.0 1.842 3.912 1583 1426 B 66 ILE HG2% B 61 PHE H 1.0 1.832 3.850 1584 1427 B 66 ILE HD1% B 61 PHE H 1.0 1.899 4.299 1585 1428 B 75 LEU HBx B 75 LEU HA 1.0 1.555 2.669 1586 1429 B 75 LEU HBy B 75 LEU HA 1.0 1.705 3.221 1587 1430 B 20 LYS H B 20 LYS HBx 1.0 1.793 3.635 1588 1431 B 75 LEU HDx% B 75 LEU HA 1.0 1.847 3.943 1589 1432 B 50 GLN HA B 50 GLN HBx 1.0 1.560 2.688 1590 1433 B 20 LYS H B 19 LEU HDy% 1.0 1.813 3.739 1591 1434 B 50 GLN HA B 50 GLN HBy 1.0 1.597 2.813 1592 1435 B 73 ALA HB% B 73 ALA HA 1.0 1.427 2.291 1593 1436 B 62 ASP HA B 62 ASP HBx 1.0 1.552 2.660 1594 1437 B 59 PHE HBx B 59 PHE H 1.0 1.778 3.558 1595 1438 B 58 ARG H B 59 PHE H 1.0 1.954 4.832 1596 1439 B 22 ALA HB% B 84 ASP HA 1.0 1.604 2.836 1597 1440 B 82 THR HG2% B 84 ASP HA 1.0 1.772 3.524 1598 1441 B 21 VAL HGx% B 84 ASP HA 1.0 1.872 4.106 1599 1442 B 5 LYS HA B 6 PRO HDx 1.0 1.554 2.668 1600 1443 B 5 LYS HA B 6 PRO HDy 1.0 1.600 2.820 1601 1444 B 67 ASN HBy B 68 GLU H 1.0 1.873 4.111 1602 1445 B 59 PHE HD2 B 59 PHE H 1.0 1.770 3.516 1603 1445 B 59 PHE HD1 B 59 PHE H 1.0 1.770 3.516 1604 1446 B 83 ILE HG2% B 84 ASP HA 1.0 1.885 4.195 1605 1447 B 59 PHE H B 58 ARG HDx 1.0 1.954 4.834 1606 1448 B 59 PHE HBy B 59 PHE H 1.0 1.856 3.994 1607 1449 B 59 PHE H B 58 ARG HBx 1.0 1.800 3.670 1608 1450 B 59 PHE H B 43 MET HE% 1.0 1.847 3.943 1609 1451 B 59 PHE H B 58 ARG HBy 1.0 1.868 4.076 1610 1452 B 58 ARG HDx B 58 ARG HA 1.0 1.733 3.345 1611 1453 B 14 ASN H B 14 ASN HBx 1.0 1.923 4.511 1612 1454 B 14 ASN H B 14 ASN HBy 1.0 1.894 4.264 1613 1455 B 59 PHE HD2 B 58 ARG HA 1.0 1.774 3.536 1614 1455 B 59 PHE HD1 B 58 ARG HA 1.0 1.774 3.536 1615 1456 B 78 GLU HA B 78 GLU HBy 1.0 1.659 3.039 1616 1457 B 74 GLN H B 74 GLN HBx 1.0 1.714 3.260 1617 1458 B 78 GLU HA B 78 GLU HGx 1.0 1.742 3.388 1618 1459 B 78 GLU HA B 78 GLU HGy 1.0 1.652 3.010 1619 1460 B 78 GLU HBx B 78 GLU HA 1.0 1.589 2.785 1620 1461 B 17 ILE HG2% B 78 GLU HA 1.0 1.811 3.729 1621 1462 B 19 LEU HBy B 19 LEU HA 1.0 1.640 2.966 1622 1463 B 46 TYR HA B 46 TYR H 1.0 1.793 3.633 1623 1464 B 46 TYR HBx B 46 TYR H 1.0 1.721 3.289 1624 1465 B 19 LEU HA B 80 GLU HA 1.0 1.867 4.067 1625 1466 B 45 ALA HB% B 46 TYR H 1.0 1.699 3.197 1626 1467 B 14 ASN HBx B 14 ASN HA 1.0 1.589 2.783 1627 1468 B 14 ASN HBy B 14 ASN HA 1.0 1.562 2.694 1628 1469 B 14 ASN HA B 34 LYS HDx 1.0 1.837 3.883 1629 1470 B 74 GLN H B 75 LEU H 1.0 1.697 3.189 1630 1471 B 25 ASP HA B 25 ASP HBy 1.0 1.513 2.539 1631 1472 B 18 ASN HA B 18 ASN HBx 1.0 1.659 3.039 1632 1473 B 18 ASN HA B 18 ASN HBy 1.0 1.624 2.906 1633 1474 B 41 LYS H B 39 LEU HA 1.0 1.941 4.683 1634 1475 B 64 GLN HA B 65 PRO HDx 1.0 1.599 2.817 1635 1476 B 64 GLN HA B 64 GLN HGy 1.0 1.733 3.345 1636 1477 B 64 GLN HBx B 64 GLN HA 1.0 1.615 2.873 1637 1478 B 64 GLN HA B 64 GLN HBy 1.0 1.691 3.163 1638 1479 B 49 ARG H B 49 ARG HBx 1.0 1.654 3.018 1639 1480 B 49 ARG H B 49 ARG HGx 1.0 1.777 3.551 1640 1481 B 66 ILE H B 65 PRO HBy 1.0 1.844 3.922 1641 1482 B 66 ILE H B 60 ARG HGy 1.0 1.949 4.773 1642 1483 B 67 ASN H B 66 ILE H 1.0 1.933 4.595 1643 1484 B 66 ILE HA B 66 ILE H 1.0 1.818 3.768 1644 1485 B 65 PRO HBx B 66 ILE H 1.0 1.859 4.015 1645 1486 B 18 ASN HA B 32 LYS HGx 1.0 1.834 3.860 1646 1487 B 66 ILE HG2% B 66 ILE H 1.0 1.754 3.440 1647 1488 B 67 ASN HA B 67 ASN HBx 1.0 1.539 2.621 1648 1489 B 67 ASN HA B 43 MET HE% 1.0 1.779 3.561 1649 1490 B 66 ILE HG1x B 66 ILE H 1.0 1.810 3.722 1650 1491 B 41 LYS H B 41 LYS HA 1.0 1.685 3.143 1651 1492 B 41 LYS H B 38 PRO HBy 1.0 1.931 4.583 1652 1493 B 41 LYS H B 41 LYS HBx 1.0 1.691 3.163 1653 1494 B 41 LYS H B 41 LYS HDx 1.0 1.747 3.407 1654 1495 B 72 PRO HDx B 72 PRO HDy 1.0 1.639 2.963 1655 1496 B 43 MET HA B 43 MET H 1.0 1.867 4.071 1656 1497 B 28 VAL HGy% B 22 ALA HA 1.0 1.755 3.445 1657 1498 B 43 MET H B 42 LEU HDy% 1.0 1.874 4.118 1658 1499 B 52 LEU H B 51 GLY HAy 1.0 1.753 3.435 1659 1500 B 52 LEU H B 52 LEU HG 1.0 1.679 3.117 1660 1501 B 42 LEU HBx B 43 MET H 1.0 1.850 3.960 1661 1502 B 36 HIS HA B 36 HIS HD2 1.0 1.807 3.709 1662 1503 B 36 HIS HD2 B 36 HIS HBy 1.0 1.843 3.919 1663 1504 B 52 LEU H B 53 SER H 1.0 1.948 4.752 1664 1505 B 52 LEU H B 47 CYS HA 1.0 1.829 3.831 1665 1506 B 10 VAL H B 8 GLU HA 1.0 1.957 4.863 1666 1507 B 10 VAL HA B 10 VAL H 1.0 1.741 3.383 1667 1508 B 9 GLY HAy B 10 VAL H 1.0 1.540 2.622 1668 1509 B 10 VAL HB B 10 VAL H 1.0 1.654 3.018 1669 1510 B 49 ARG H B 48 GLU H 1.0 1.727 3.317 1670 1511 B 47 CYS HA B 48 GLU H 1.0 1.920 4.476 1671 1512 B 47 CYS HBy B 48 GLU H 1.0 1.787 3.599 1672 1513 B 48 GLU H B 48 GLU HBx 1.0 1.644 2.982 1673 1514 B 63 GLY HAy B 63 GLY HAx 1.0 1.488 2.464 1674 1515 B 48 GLU HA B 48 GLU H 1.0 1.697 3.191 1675 1516 B 48 GLU HGx B 48 GLU H 1.0 1.769 3.511 1676 1517 B 46 TYR H B 48 GLU H 1.0 1.952 4.808 1677 1518 B 44 LYS H B 54 MET HGy 1.0 1.943 4.705 1678 1519 B 85 VAL H B 22 ALA H 1.0 1.924 4.522 1679 1520 B 84 ASP HA B 85 VAL H 1.0 1.543 2.633 1680 1521 B 23 GLY HAx B 85 VAL H 1.0 1.922 4.494 1681 1522 B 85 VAL HB B 85 VAL H 1.0 1.739 3.371 1682 1523 B 85 VAL HGx% B 85 VAL H 1.0 1.830 3.836 1683 1524 B 85 VAL HGy% B 85 VAL H 1.0 1.750 3.424 1684 1525 B 79 ASP H B 79 ASP HBy 1.0 1.541 2.627 1685 1526 B 78 GLU HGx B 79 ASP H 1.0 1.906 4.360 1686 1527 B 78 GLU HGy B 79 ASP H 1.0 1.905 4.357 1687 1528 B 78 GLU HBx B 79 ASP H 1.0 1.700 3.202 1688 1529 B 78 GLU HBy B 79 ASP H 1.0 1.789 3.611 1689 1530 B 17 ILE HG2% B 79 ASP H 1.0 1.886 4.200 1690 1531 B 17 ILE HD1% B 79 ASP H 1.0 1.931 4.583 1691 1532 B 17 ILE HB B 79 ASP H 1.0 1.957 4.865 1692 1533 B 62 ASP HBx B 62 ASP HBy 1.0 1.390 2.194 1693 1534 B 14 ASN HBx B 14 ASN HBy 1.0 1.413 2.253 1694 1535 B 35 ARG H B 35 ARG HA 1.0 1.822 3.790 1695 1536 B 34 LYS HGy B 35 ARG H 1.0 1.928 4.554 1696 1537 B 46 TYR HBx B 59 PHE HZ 1.0 1.848 3.944 1697 1538 B 46 TYR HBy B 59 PHE HZ 1.0 1.814 3.746 1698 1539 B 46 TYR HD2 B 46 TYR HBy 1.0 1.657 3.033 1699 1539 B 46 TYR HD1 B 46 TYR HBy 1.0 1.657 3.033 1700 1540 B 17 ILE H B 16 HIS HA 1.0 1.661 3.043 1701 1541 B 46 TYR HBx B 46 TYR HBy 1.0 1.590 2.790 1702 1542 B 17 ILE H B 16 HIS HBx 1.0 1.873 4.115 1703 1543 B 17 ILE H B 16 HIS HBy 1.0 1.823 3.799 1704 1544 B 17 ILE HG1x B 17 ILE H 1.0 1.860 4.026 1705 1545 B 17 ILE H B 17 ILE HG1y 1.0 1.823 3.799 1706 1546 B 17 ILE H B 17 ILE HG2% 1.0 1.786 3.598 1707 1547 B 17 ILE H B 17 ILE HD1% 1.0 1.928 4.558 1708 1548 B 48 GLU HA B 48 GLU HGx 1.0 1.711 3.249 1709 1549 B 56 GLN HGx B 56 GLN HA 1.0 1.618 2.888 1710 1550 B 16 HIS HBx B 16 HIS H 1.0 1.769 3.511 1711 1551 B 57 ILE HD1% B 47 CYS H 1.0 1.953 4.821 1712 1552 B 46 TYR H B 47 CYS H 1.0 1.730 3.330 1713 1553 B 46 TYR HA B 47 CYS H 1.0 1.862 4.036 1714 1554 B 47 CYS HA B 47 CYS H 1.0 1.773 3.533 1715 1555 B 46 TYR HBx B 47 CYS H 1.0 1.758 3.460 1716 1556 B 64 GLN HA B 64 GLN HGx 1.0 1.766 3.496 1717 1557 B 47 CYS HBy B 47 CYS H 1.0 1.706 3.226 1718 1558 B 54 MET HA B 54 MET HBx 1.0 1.669 3.077 1719 1559 B 44 LYS HA B 54 MET HBx 1.0 1.836 3.870 1720 1560 B 25 ASP HA B 25 ASP H 1.0 1.717 3.273 1721 1561 B 65 PRO HDx B 64 GLN HGx 1.0 1.870 4.086 1722 1562 B 24 GLN HBx B 25 ASP H 1.0 1.895 4.269 1723 1563 B 25 ASP H B 24 GLN HBy 1.0 1.861 4.035 1724 1564 B 71 THR HB B 73 ALA H 1.0 1.862 4.034 1725 1565 B 16 HIS HBx B 32 LYS HGx 1.0 1.899 4.303 1726 1566 B 72 PRO HA B 75 LEU H 1.0 1.929 4.569 1727 1567 B 75 LEU H B 76 GLU HA 1.0 1.891 4.239 1728 1568 B 16 HIS HBx B 16 HIS HBy 1.0 1.535 2.609 1729 1569 B 16 HIS HBy B 32 LYS HGx 1.0 1.893 4.259 1730 1570 B 16 HIS HBy B 32 LYS HGy 1.0 1.892 4.246 1731 1571 B 75 LEU HA B 75 LEU H 1.0 1.781 3.573 1732 1572 B 75 LEU H B 75 LEU HG 1.0 1.643 2.979 1733 1573 B 75 LEU HBy B 75 LEU H 1.0 1.749 3.419 1734 1574 B 36 HIS HBx B 36 HIS HBy 1.0 1.537 2.615 1735 1575 B 73 ALA HB% B 36 HIS HBx 1.0 1.863 4.045 1736 1576 B 36 HIS HBy B 36 HIS HD1 1.0 1.869 4.087 1737 1577 B 24 GLN HA B 25 ASP H 1.0 1.815 3.753 1738 1578 B 23 GLY HAy B 25 ASP H 1.0 1.836 3.872 1739 1579 B 36 HIS HBx B 14 ASN HBy 1.0 1.896 4.280 1740 1580 B 75 LEU H B 73 ALA H 1.0 1.918 4.466 1741 1581 B 71 THR HA B 73 ALA H 1.0 1.955 4.853 1742 1582 B 72 PRO HA B 73 ALA H 1.0 1.940 4.680 1743 1583 B 44 LYS HA B 47 CYS HBx 1.0 1.801 3.679 1744 1584 B 47 CYS HA B 47 CYS HBx 1.0 1.701 3.207 1745 1585 B 36 HIS HA B 73 ALA H 1.0 1.931 4.577 1746 1586 B 47 CYS HBy B 47 CYS HA 1.0 1.751 3.427 1747 1587 B 72 PRO HBy B 73 ALA H 1.0 1.861 4.033 1748 1588 B 80 GLU HA B 80 GLU HBx 1.0 1.711 3.247 1749 1589 B 80 GLU HBx B 80 GLU HBy 1.0 1.474 2.424 1750 1590 B 80 GLU HBx B 80 GLU HGy 1.0 1.660 3.040 1751 1591 B 25 ASP H B 27 SER H 1.0 1.891 4.235 1752 1592 B 27 SER H B 26 GLY HAy 1.0 1.821 3.785 1753 1593 B 27 SER H B 23 GLY H 1.0 1.911 4.399 1754 1594 B 28 VAL H B 27 SER H 1.0 1.884 4.190 1755 1595 B 77 MET H B 77 MET HBx 1.0 1.832 3.848 1756 1596 B 77 MET H B 73 ALA HA 1.0 1.953 4.813 1757 1597 B 77 MET H B 75 LEU H 1.0 1.919 4.477 1758 1598 B 77 MET HA B 77 MET H 1.0 1.785 3.589 1759 1599 B 77 MET H B 76 GLU HA 1.0 1.751 3.427 1760 1600 B 79 ASP HA B 80 GLU H 1.0 1.701 3.205 1761 1601 B 80 GLU H B 80 GLU HA 1.0 1.695 3.179 1762 1602 B 80 GLU H B 80 GLU HGy 1.0 1.932 4.598 1763 1603 B 17 ILE HB B 80 GLU H 1.0 1.929 4.565 1764 1604 B 80 GLU H B 19 LEU HDy% 1.0 1.936 4.640 1765 1605 B 67 ASN HD21 B 67 ASN HBx 1.0 1.928 4.554 1766 1606 B 67 ASN HD21 B 67 ASN HBy 1.0 1.834 3.860 1767 1607 B 67 ASN HBx B 67 ASN HD22 1.0 1.950 4.780 1768 1608 B 67 ASN HBy B 67 ASN HD22 1.0 1.837 3.877 1769 1609 B 67 ASN HD21 B 67 ASN HD22 1.0 1.442 2.332 1770 1610 B 59 PHE HZ B 43 MET HA 1.0 1.765 3.491 1771 1611 B 39 LEU H B 40 SER H 1.0 1.796 3.650 1772 1612 B 41 LYS H B 40 SER H 1.0 1.823 3.799 1773 1613 B 40 SER H B 40 SER HBx 1.0 1.942 4.698 1774 1614 B 43 MET HA B 43 MET HE% 1.0 1.870 4.090 1775 1615 B 43 MET HA B 43 MET HGx 1.0 1.730 3.328 1776 1616 B 38 PRO HBy B 40 SER H 1.0 1.749 3.419 1777 1617 B 43 MET HA B 42 LEU HDy% 1.0 1.713 3.257 1778 1618 B 56 GLN H B 55 ARG HBy 1.0 1.924 4.510 1779 1619 B 57 ILE HG2% B 56 GLN H 1.0 1.944 4.718 1780 1620 B 56 GLN H B 55 ARG H 1.0 1.792 3.624 1781 1621 B 56 GLN HA B 56 GLN H 1.0 1.755 3.443 1782 1622 B 56 GLN H B 55 ARG HA 1.0 1.816 3.756 1783 1623 B 56 GLN H B 56 GLN HBy 1.0 1.749 3.419 1784 1624 B 56 GLN H B 55 ARG HBx 1.0 1.912 4.412 1785 1625 B 53 SER HBy B 56 GLN H 1.0 1.927 4.545 1786 1626 B 56 GLN H B 55 ARG HGx 1.0 1.891 4.239 1787 1627 B 56 GLN H B 57 ILE HG1x 1.0 1.876 4.132 1788 1628 B 13 GLU H B 12 THR H 1.0 1.930 4.576 1789 1629 B 10 VAL HA B 12 THR H 1.0 1.906 4.358 1790 1630 B 11 LYS HBx B 12 THR H 1.0 1.880 4.160 1791 1631 B 12 THR HG2% B 12 THR H 1.0 1.849 3.949 1792 1632 B 10 VAL HGy% B 12 THR H 1.0 1.950 4.784 1793 1633 B 56 GLN H B 57 ILE H 1.0 1.608 2.852 1794 1634 B 57 ILE HA B 57 ILE H 1.0 1.777 3.553 1795 1635 B 56 GLN HA B 57 ILE H 1.0 1.781 3.573 1796 1636 B 56 GLN HBy B 57 ILE H 1.0 1.863 4.041 1797 1637 B 57 ILE HG1x B 57 ILE H 1.0 1.647 2.989 1798 1638 B 57 ILE HG2% B 57 ILE H 1.0 1.779 3.565 1799 1639 B 53 SER HBx B 53 SER H 1.0 1.749 3.417 1800 1640 B 53 SER H B 87 GLN HE21 1.0 1.920 4.482 1801 1641 B 53 SER H B 56 GLN HBy 1.0 1.926 4.530 1802 1642 B 53 SER H B 52 LEU HBx 1.0 1.751 3.427 1803 1643 B 18 ASN HD21 B 18 ASN HBx 1.0 1.830 3.842 1804 1644 B 18 ASN HD21 B 18 ASN HBy 1.0 1.912 4.414 1805 1645 B 18 ASN HD21 B 18 ASN HD22 1.0 1.438 2.322 1806 1646 B 18 ASN HBx B 18 ASN HD22 1.0 1.838 3.888 1807 1647 B 18 ASN HBy B 18 ASN HD22 1.0 1.898 4.294 1808 1648 B 53 SER HBy B 55 ARG H 1.0 1.948 4.768 1809 1649 B 31 PHE HA B 31 PHE HBx 1.0 1.689 3.159 1810 1650 B 31 PHE HBx B 31 PHE HBy 1.0 1.476 2.430 1811 1651 B 55 ARG H B 57 ILE H 1.0 1.940 4.682 1812 1652 B 55 ARG H B 55 ARG HA 1.0 1.729 3.325 1813 1653 B 31 PHE HD2 B 31 PHE HBy 1.0 1.630 2.930 1814 1653 B 31 PHE HD1 B 31 PHE HBy 1.0 1.630 2.930 1815 1654 B 31 PHE HA B 31 PHE HBy 1.0 1.721 3.289 1816 1655 B 75 LEU HDy% B 76 GLU H 1.0 1.955 4.841 1817 1656 B 84 ASP HA B 84 ASP HBx 1.0 1.563 2.695 1818 1657 B 76 GLU H B 76 GLU HBx 1.0 1.873 4.109 1819 1658 B 60 ARG HBx B 84 ASP HBx 1.0 1.777 3.555 1820 1659 B 31 PHE HBy B 19 LEU HBx 1.0 1.758 3.460 1821 1660 B 75 LEU HA B 76 GLU H 1.0 1.843 3.915 1822 1661 B 73 ALA HA B 76 GLU H 1.0 1.848 3.946 1823 1662 B 76 GLU HA B 76 GLU H 1.0 1.592 2.794 1824 1663 B 75 LEU HBy B 76 GLU H 1.0 1.910 4.392 1825 1664 B 73 ALA HB% B 76 GLU H 1.0 1.931 4.583 1826 1665 B 53 SER HBy B 55 ARG HDx 1.0 1.882 4.178 1827 1666 B 82 THR HA B 82 THR H 1.0 1.864 4.050 1828 1667 B 81 ASP HA B 82 THR H 1.0 1.593 2.797 1829 1668 B 82 THR HB B 82 THR H 1.0 1.685 3.139 1830 1669 B 81 ASP HBx B 82 THR H 1.0 1.873 4.117 1831 1670 B 82 THR HG2% B 82 THR H 1.0 1.849 3.949 1832 1671 B 81 ASP H B 82 THR H 1.0 1.913 4.413 1833 1672 B 60 ARG HBx B 60 ARG HDx 1.0 1.722 3.298 1834 1673 B 60 ARG HDx B 60 ARG HGx 1.0 1.651 3.007 1835 1674 B 60 ARG HGy B 60 ARG HDx 1.0 1.698 3.192 1836 1675 B 58 ARG HDx B 58 ARG HBy 1.0 1.847 3.943 1837 1676 B 46 TYR HD2 B 49 ARG HDx 1.0 1.827 3.815 1838 1676 B 46 TYR HD1 B 49 ARG HDx 1.0 1.827 3.815 1839 1677 B 46 TYR HA B 49 ARG HDx 1.0 1.749 3.419 1840 1678 B 49 ARG H B 50 GLN H 1.0 1.691 3.165 1841 1679 B 29 VAL HGy% B 49 ARG HDx 1.0 1.797 3.651 1842 1680 B 29 VAL HGx% B 49 ARG HDx 1.0 1.730 3.330 1843 1681 B 17 ILE HD1% B 35 ARG HDx 1.0 1.854 3.988 1844 1682 B 58 ARG HA B 58 ARG HDy 1.0 1.779 3.561 1845 1683 B 49 ARG HBy B 49 ARG HDy 1.0 1.743 3.387 1846 1684 B 46 TYR HD2 B 49 ARG HDy 1.0 1.823 3.801 1847 1684 B 46 TYR HD1 B 49 ARG HDy 1.0 1.823 3.801 1848 1685 B 50 GLN H B 52 LEU HDx% 1.0 1.900 4.312 1849 1686 B 47 CYS HA B 50 GLN H 1.0 1.938 4.652 1850 1687 B 29 VAL HGy% B 49 ARG HDy 1.0 1.742 3.386 1851 1688 B 14 ASN HBx B 14 ASN HD21 1.0 1.884 4.188 1852 1689 B 14 ASN HBy B 14 ASN HD21 1.0 1.901 4.317 1853 1690 B 45 ALA HB% B 49 ARG HDx 1.0 1.760 3.470 1854 1691 B 35 ARG HDx B 35 ARG HGy 1.0 1.622 2.902 1855 1692 B 44 LYS HA B 44 LYS HEx 1.0 1.794 3.640 1856 1693 B 41 LYS HEx B 38 PRO HDy 1.0 1.875 4.127 1857 1694 B 64 GLN HGy B 64 GLN HE22 1.0 1.809 3.719 1858 1695 B 64 GLN HE22 B 64 GLN HE21 1.0 1.273 1.905 1859 1696 B 86 PHE HBx B 86 PHE HA 1.0 1.667 3.069 1860 1697 B 61 PHE HD2 B 61 PHE HBx 1.0 1.665 3.061 1861 1697 B 61 PHE HD1 B 61 PHE HBx 1.0 1.665 3.061 1862 1698 B 44 LYS HA B 44 LYS HEy 1.0 1.738 3.368 1863 1699 B 20 LYS HBx B 20 LYS HEx 1.0 1.820 3.780 1864 1700 B 37 THR H B 36 HIS H 1.0 1.710 3.244 1865 1701 B 36 HIS HBx B 36 HIS H 1.0 1.828 3.824 1866 1702 B 35 ARG H B 36 HIS H 1.0 1.831 3.843 1867 1703 B 80 GLU HA B 20 LYS HEy 1.0 1.720 3.288 1868 1704 B 20 LYS HBx B 20 LYS HEy 1.0 1.884 4.190 1869 1705 B 34 LYS HEy B 34 LYS HBy 1.0 1.864 4.048 1870 1706 B 61 PHE HD2 B 61 PHE HBy 1.0 1.677 3.107 1871 1706 B 61 PHE HD1 B 61 PHE HBy 1.0 1.677 3.107 1872 1707 B 35 ARG HA B 36 HIS H 1.0 1.948 4.760 1873 1708 B 86 PHE HBy B 86 PHE HA 1.0 1.705 3.219 1874 1709 B 86 PHE HBx B 86 PHE HBy 1.0 1.433 2.305 1875 1710 B 30 GLN HE21 B 30 GLN HE22 1.0 1.363 2.123 1876 1711 B 79 ASP HA B 79 ASP HBx 1.0 1.599 2.821 1877 1712 B 70 ASP HBy B 70 ASP HBx 1.0 1.562 2.692 1878 1713 B 59 PHE HBx B 66 ILE HD1% 1.0 1.767 3.507 1879 1714 B 59 PHE HA B 59 PHE HBx 1.0 1.772 3.526 1880 1715 B 8 GLU HA B 9 GLY H 1.0 1.681 3.123 1881 1716 B 9 GLY HAy B 9 GLY H 1.0 1.678 3.112 1882 1717 B 83 ILE H B 22 ALA H 1.0 1.935 4.627 1883 1718 B 10 VAL H B 9 GLY H 1.0 1.943 4.705 1884 1719 B 67 ASN HA B 67 ASN HBy 1.0 1.660 3.042 1885 1720 B 21 VAL HA B 22 ALA H 1.0 1.617 2.883 1886 1721 B 83 ILE HB B 22 ALA H 1.0 1.933 4.611 1887 1722 B 22 ALA HB% B 22 ALA H 1.0 1.685 3.143 1888 1723 B 82 THR HG2% B 22 ALA H 1.0 1.830 3.842 1889 1724 B 25 ASP HA B 25 ASP HBx 1.0 1.646 2.988 1890 1725 B 25 ASP HBy B 25 ASP HBx 1.0 1.510 2.530 1891 1726 B 21 VAL HGx% B 22 ALA H 1.0 1.786 3.596 1892 1727 B 22 ALA HA B 23 GLY H 1.0 1.555 2.673 1893 1728 B 28 VAL HA B 23 GLY H 1.0 1.855 3.995 1894 1729 B 23 GLY HAx B 23 GLY H 1.0 1.781 3.571 1895 1730 B 23 GLY HAy B 23 GLY H 1.0 1.697 3.191 1896 1731 B 18 ASN HBy B 80 GLU HGy 1.0 1.827 3.821 1897 1732 B 50 GLN HA B 51 GLY H 1.0 1.862 4.036 1898 1733 B 52 LEU H B 51 GLY H 1.0 1.671 3.085 1899 1734 B 51 GLY HAy B 51 GLY H 1.0 1.573 2.729 1900 1735 B 68 GLU HGx B 68 GLU HA 1.0 1.722 3.298 1901 1736 B 43 MET HE% B 68 GLU HGx 1.0 1.896 4.282 1902 1737 B 69 THR HG2% B 68 GLU HGx 1.0 1.807 3.707 1903 1738 B 68 GLU HA B 68 GLU HGy 1.0 1.693 3.173 1904 1739 B 43 MET HE% B 68 GLU HGy 1.0 1.869 4.085 1905 1740 B 48 GLU HA B 48 GLU HGy 1.0 1.631 2.933 1906 1741 B 61 PHE HD2 B 62 ASP H 1.0 1.825 3.807 1907 1741 B 61 PHE HD1 B 62 ASP H 1.0 1.825 3.807 1908 1742 B 80 GLU HA B 80 GLU HGx 1.0 1.717 3.273 1909 1743 B 62 ASP HA B 62 ASP H 1.0 1.590 2.788 1910 1744 B 62 ASP HBy B 62 ASP H 1.0 1.816 3.758 1911 1745 B 50 GLN HE21 B 50 GLN HBx 1.0 1.904 4.336 1912 1746 B 29 VAL HGy% B 50 GLN HE21 1.0 1.945 4.727 1913 1747 B 53 SER HBx B 56 GLN HGy 1.0 1.838 3.888 1914 1748 B 53 SER HBy B 56 GLN HGy 1.0 1.804 3.694 1915 1749 B 29 VAL HGy% B 50 GLN HE22 1.0 1.927 4.547 1916 1750 B 87 GLN HA B 87 GLN HGx 1.0 1.770 3.516 1917 1751 B 30 GLN HA B 30 GLN HGx 1.0 1.718 3.280 1918 1752 B 30 GLN HA B 30 GLN HGy 1.0 1.820 3.780 1919 1753 B 87 GLN HA B 87 GLN HGy 1.0 1.769 3.511 1920 1754 B 58 ARG HDy B 87 GLN HGy 1.0 1.897 4.287 1921 1755 B 75 LEU HG B 71 THR H 1.0 1.934 4.612 1922 1756 B 87 GLN HA B 88 GLN HGy 1.0 1.877 4.141 1923 1757 B 20 LYS HGx B 30 GLN HGy 1.0 1.614 2.874 1924 1758 B 71 THR HG2% B 71 THR H 1.0 1.760 3.468 1925 1759 B 74 GLN H B 71 THR H 1.0 1.897 4.289 1926 1760 B 70 ASP HBx B 71 THR H 1.0 1.879 4.153 1927 1761 B 25 ASP H B 26 GLY H 1.0 1.657 3.031 1928 1762 B 25 ASP HA B 26 GLY H 1.0 1.807 3.709 1929 1763 B 26 GLY H B 26 GLY HAx 1.0 1.656 3.026 1930 1764 B 26 GLY HAy B 26 GLY H 1.0 1.597 2.813 1931 1765 B 25 ASP HBy B 26 GLY H 1.0 1.940 4.680 1932 1766 B 65 PRO HDx B 64 GLN HGy 1.0 1.783 3.581 1933 1767 B 38 PRO HBx B 38 PRO HBy 1.0 1.484 2.452 1934 1768 B 30 GLN H B 30 GLN HGx 1.0 1.816 3.762 1935 1769 B 6 PRO HBx B 9 GLY HAy 1.0 1.805 3.701 1936 1770 B 38 PRO HBx B 71 THR HG2% 1.0 1.791 3.619 1937 1771 B 53 SER HBy B 56 GLN HBy 1.0 1.889 4.227 1938 1772 B 45 ALA HA B 48 GLU HBx 1.0 1.679 3.115 1939 1773 B 74 GLN HBy B 74 GLN HBx 1.0 1.416 2.260 1940 1774 B 74 GLN HA B 74 GLN HBx 1.0 1.618 2.886 1941 1775 B 76 GLU HA B 76 GLU HBx 1.0 1.722 3.296 1942 1776 B 80 GLU HA B 80 GLU HBy 1.0 1.668 3.070 1943 1777 B 80 GLU HBy B 20 LYS HEy 1.0 1.829 3.831 1944 1778 B 61 PHE HD2 B 62 ASP HBy 1.0 1.847 3.935 1945 1778 B 61 PHE HD1 B 62 ASP HBy 1.0 1.847 3.935 1946 1779 B 60 ARG HBx B 60 ARG HDy 1.0 1.728 3.320 1947 1780 B 60 ARG HBx B 60 ARG HGx 1.0 1.698 3.190 1948 1781 B 65 PRO HA B 60 ARG HBy 1.0 1.899 4.303 1949 1782 B 60 ARG HBx B 60 ARG HBy 1.0 1.519 2.559 1950 1783 B 77 MET HA B 77 MET HBx 1.0 1.733 3.343 1951 1784 B 77 MET HBy B 77 MET HBx 1.0 1.622 2.902 1952 1785 B 17 ILE HD1% B 77 MET HBy 1.0 1.856 4.000 1953 1786 B 72 PRO HBx B 77 MET HBy 1.0 1.732 3.340 1954 1787 B 20 LYS HBx B 20 LYS HBy 1.0 1.531 2.595 1955 1788 B 28 VAL HGy% B 20 LYS HBy 1.0 1.693 3.173 1956 1789 B 46 TYR HD2 B 85 VAL HB 1.0 1.888 4.220 1957 1789 B 46 TYR HD1 B 85 VAL HB 1.0 1.888 4.220 1958 1790 B 85 VAL HB B 85 VAL HA 1.0 1.731 3.335 1959 1791 B 85 VAL HB B 23 GLY HAx 1.0 1.832 3.848 1960 1792 B 85 VAL HB B 23 GLY HAy 1.0 1.863 4.039 1961 1793 B 32 LYS HGy B 32 LYS HBx 1.0 1.762 3.480 1962 1794 B 18 ASN HA B 32 LYS HBx 1.0 1.909 4.387 1963 1795 B 32 LYS HA B 32 LYS HBx 1.0 1.682 3.128 1964 1796 B 32 LYS HGx B 32 LYS HBx 1.0 1.717 3.273 1965 1797 B 32 LYS HA B 32 LYS HBy 1.0 1.684 3.136 1966 1798 B 32 LYS HGy B 32 LYS HBy 1.0 1.758 3.460 1967 1799 B 72 PRO HA B 77 MET HG3 1.0 1.736 3.354 1968 1800 B 72 PRO HBx B 77 MET HG3 1.0 1.636 2.948 1969 1801 B 11 LYS HA B 11 LYS HBx 1.0 1.640 2.968 1970 1802 B 78 GLU HBy B 78 GLU HGx 1.0 1.659 3.041 1971 1803 B 78 GLU HBy B 78 GLU HGy 1.0 1.701 3.205 1972 1804 B 11 LYS HBx B 11 LYS HGy 1.0 1.686 3.144 1973 1805 B 7 LYS HA B 7 LYS HBy 1.0 1.727 3.319 1974 1806 B 11 LYS HBy B 11 LYS HE3 1.0 1.709 3.241 1975 1806 B 11 LYS HBy B 11 LYS HE2 1.0 1.709 3.241 1976 1807 B 58 ARG HBx B 58 ARG HBy 1.0 1.469 2.409 1977 1808 B 50 GLN HA B 50 GLN HGy 1.0 1.733 3.343 1978 1809 B 46 TYR HD2 B 50 GLN HGy 1.0 1.879 4.149 1979 1809 B 46 TYR HD1 B 50 GLN HGy 1.0 1.879 4.149 1980 1810 B 58 ARG HBy B 58 ARG HA 1.0 1.806 3.700 1981 1811 B 58 ARG HBy B 58 ARG HDy 1.0 1.876 4.134 1982 1812 B 86 PHE HBy B 58 ARG HBy 1.0 1.893 4.257 1983 1813 B 46 TYR HD2 B 21 VAL HB 1.0 1.801 3.677 1984 1813 B 46 TYR HD1 B 21 VAL HB 1.0 1.801 3.677 1985 1814 B 29 VAL HGy% B 21 VAL HB 1.0 1.808 3.716 1986 1815 B 46 TYR HE2 B 21 VAL HB 1.0 1.784 3.590 1987 1815 B 46 TYR HE1 B 21 VAL HB 1.0 1.784 3.590 1988 1816 B 44 LYS HBy B 44 LYS HEy 1.0 1.752 3.430 1989 1817 B 11 LYS HE3 B 11 LYS HBx 1.0 1.793 3.635 1990 1817 B 11 LYS HE2 B 11 LYS HBx 1.0 1.793 3.635 1991 1818 B 7 LYS HBy B 7 LYS HE3 1.0 1.853 3.977 1992 1818 B 7 LYS HBy B 7 LYS HE2 1.0 1.853 3.977 1993 1819 B 65 PRO HA B 65 PRO HBy 1.0 1.736 3.354 1994 1820 B 65 PRO HBx B 65 PRO HBy 1.0 1.448 2.350 1995 1821 B 65 PRO HDx B 65 PRO HBy 1.0 1.784 3.590 1996 1822 B 6 PRO HBy B 6 PRO HDy 1.0 1.749 3.417 1997 1823 B 6 PRO HBx B 6 PRO HBy 1.0 1.385 2.179 1998 1824 B 34 LYS HBx B 34 LYS HGy 1.0 1.766 3.496 1999 1825 B 72 PRO HBy B 17 ILE HD1% 1.0 1.898 4.294 2000 1826 B 72 PRO HBy B 35 ARG HA 1.0 1.719 3.283 2001 1827 B 6 PRO HDx B 5 LYS HBx 1.0 1.898 4.300 2002 1828 B 34 LYS HGy B 34 LYS HBy 1.0 1.795 3.645 2003 1829 B 41 LYS HA B 41 LYS HBy 1.0 1.596 2.810 2004 1830 B 30 GLN HA B 30 GLN HBx 1.0 1.676 3.104 2005 1831 B 8 GLU HBy B 8 GLU HBx 1.0 1.514 2.542 2006 1832 B 20 LYS HA B 30 GLN HBy 1.0 1.897 4.289 2007 1833 B 68 GLU HA B 68 GLU HBx 1.0 1.693 3.173 2008 1834 B 50 GLN HBx B 52 LEU HDy% 1.0 1.703 3.215 2009 1835 B 68 GLU HA B 68 GLU HBy 1.0 1.695 3.179 2010 1836 B 35 ARG HA B 35 ARG HBx 1.0 1.831 3.841 2011 1837 B 73 ALA HB% B 35 ARG HBx 1.0 1.866 4.062 2012 1838 B 11 LYS HE3 B 11 LYS HD3 1.0 1.454 2.366 2013 1838 B 11 LYS HE2 B 11 LYS HD3 1.0 1.454 2.366 2014 1838 B 11 LYS HE3 B 11 LYS HD2 1.0 1.454 2.366 2015 1838 B 11 LYS HE2 B 11 LYS HD2 1.0 1.454 2.366 2016 1839 B 11 LYS HBy B 11 LYS HD3 1.0 1.575 2.737 2017 1839 B 11 LYS HBy B 11 LYS HD2 1.0 1.575 2.737 2018 1840 B 50 GLN HBy B 47 CYS HA 1.0 1.895 4.275 2019 1841 B 50 GLN HBx B 50 GLN HBy 1.0 1.547 2.647 2020 1842 B 50 GLN HBy B 52 LEU HDx% 1.0 1.709 3.237 2021 1843 B 46 TYR HD2 B 49 ARG HBx 1.0 1.864 4.048 2022 1843 B 46 TYR HD1 B 49 ARG HBx 1.0 1.864 4.048 2023 1844 B 88 GLN HA B 88 GLN HBx 1.0 1.642 2.974 2024 1845 B 87 GLN HBy B 87 GLN HA 1.0 1.701 3.203 2025 1846 B 55 ARG HBx B 55 ARG HDy 1.0 1.624 2.908 2026 1847 B 4 GLU HBy B 32 LYS HEy 1.0 1.836 3.876 2027 1848 B 55 ARG HBy B 55 ARG HBx 1.0 1.664 3.058 2028 1849 B 55 ARG HBy B 55 ARG HA 1.0 1.585 2.773 2029 1850 B 55 ARG HBy B 55 ARG HDy 1.0 1.710 3.244 2030 1851 B 35 ARG HBx B 13 GLU HBx 1.0 1.741 3.383 2031 1852 B 73 ALA HB% B 35 ARG HGy 1.0 1.890 4.236 2032 1853 B 47 CYS HBx B 44 LYS HDy 1.0 1.807 3.711 2033 1854 B 48 GLU HGx B 44 LYS HDy 1.0 1.736 3.358 2034 1855 B 44 LYS HA B 44 LYS HDy 1.0 1.656 3.026 2035 1856 B 39 LEU HG B 72 PRO HDy 1.0 1.753 3.435 2036 1857 B 35 ARG HGy B 35 ARG HGx 1.0 1.564 2.702 2037 1858 B 35 ARG HA B 35 ARG HGy 1.0 1.795 3.641 2038 1859 B 17 ILE HG2% B 35 ARG HGy 1.0 1.838 3.888 2039 1860 B 17 ILE HD1% B 35 ARG HGy 1.0 1.898 4.298 2040 1861 B 24 GLN HA B 24 GLN HBy 1.0 1.621 2.895 2041 1862 B 37 THR HG2% B 38 PRO HGy 1.0 1.875 4.123 2042 1863 B 4 GLU HBy B 5 LYS HDx 1.0 1.798 3.658 2043 1864 B 64 GLN HA B 65 PRO HGy 1.0 1.812 3.734 2044 1865 B 65 PRO HA B 65 PRO HGy 1.0 1.814 3.744 2045 1866 B 37 THR HA B 38 PRO HGy 1.0 1.806 3.704 2046 1867 B 55 ARG HGy B 54 MET HE% 1.0 1.726 3.312 2047 1868 B 60 ARG HBy B 60 ARG HGx 1.0 1.607 2.845 2048 1869 B 60 ARG HA B 60 ARG HGy 1.0 1.733 3.345 2049 1870 B 65 PRO HA B 60 ARG HGy 1.0 1.754 3.438 2050 1871 B 60 ARG HBx B 60 ARG HGy 1.0 1.711 3.249 2051 1872 B 75 LEU HDy% B 75 LEU HG 1.0 1.581 2.755 2052 1873 B 70 ASP HBx B 75 LEU HG 1.0 1.827 3.821 2053 1874 B 75 LEU HDx% B 75 LEU HG 1.0 1.598 2.816 2054 1875 B 55 ARG HGx B 56 GLN HGy 1.0 1.772 3.526 2055 1876 B 19 LEU HA B 19 LEU HG 1.0 1.828 3.826 2056 1877 B 65 PRO HA B 60 ARG HGx 1.0 1.844 3.920 2057 1878 B 31 PHE HD2 B 42 LEU HG 1.0 1.694 3.176 2058 1878 B 31 PHE HD1 B 42 LEU HG 1.0 1.694 3.176 2059 1879 B 42 LEU HA B 42 LEU HG 1.0 1.714 3.262 2060 1880 B 31 PHE HBx B 42 LEU HG 1.0 1.703 3.213 2061 1881 B 31 PHE HBy B 42 LEU HG 1.0 1.670 3.080 2062 1882 B 42 LEU HG B 42 LEU HDx% 1.0 1.441 2.329 2063 1883 B 46 TYR HD2 B 49 ARG HGx 1.0 1.905 4.359 2064 1883 B 46 TYR HD1 B 49 ARG HGx 1.0 1.905 4.359 2065 1884 B 58 ARG HGx B 58 ARG HDx 1.0 1.743 3.391 2066 1885 B 58 ARG HGx B 58 ARG HA 1.0 1.852 3.970 2067 1886 B 58 ARG HGx B 58 ARG HDy 1.0 1.706 3.228 2068 1887 B 58 ARG HA B 58 ARG HGy 1.0 1.838 3.884 2069 1888 B 58 ARG HDx B 58 ARG HGy 1.0 1.723 3.297 2070 1889 B 58 ARG HDy B 58 ARG HGy 1.0 1.762 3.478 2071 1890 B 37 THR HB B 33 ILE HG1x 1.0 1.806 3.704 2072 1891 B 33 ILE HG1y B 33 ILE HG1x 1.0 1.464 2.394 2073 1892 B 33 ILE HD1% B 33 ILE HG1x 1.0 1.558 2.680 2074 1893 B 33 ILE HG1y B 33 ILE HD1% 1.0 1.646 2.990 2075 1894 B 66 ILE HA B 66 ILE HG1y 1.0 1.812 3.732 2076 1895 B 66 ILE HD1% B 66 ILE HG1y 1.0 1.644 2.982 2077 1896 B 59 PHE HBx B 66 ILE HG1y 1.0 1.836 3.874 2078 1897 B 31 PHE HD2 B 42 LEU HDx% 1.0 1.882 4.170 2079 1897 B 31 PHE HD1 B 42 LEU HDx% 1.0 1.882 4.170 2080 1898 B 42 LEU HDy% B 42 LEU HDx% 1.0 1.642 2.974 2081 1899 B 42 LEU HDx% B 42 LEU HBy 1.0 1.771 3.523 2082 1900 B 72 PRO HBx B 19 LEU HDx% 1.0 1.775 3.545 2083 1901 B 19 LEU HBy B 19 LEU HDx% 1.0 1.554 2.668 2084 1902 B 72 PRO HA B 19 LEU HDx% 1.0 1.883 4.185 2085 1903 B 77 MET HBx B 19 LEU HDx% 1.0 1.728 3.322 2086 1904 B 71 THR HA B 39 LEU HDx% 1.0 1.817 3.767 2087 1905 B 72 PRO HA B 39 LEU HDx% 1.0 1.762 3.478 2088 1906 B 39 LEU HDx% B 70 ASP HBx 1.0 1.687 3.151 2089 1907 B 70 ASP HBy B 39 LEU HDx% 1.0 1.718 3.276 2090 1908 B 39 LEU HDx% B 72 PRO HGy 1.0 1.833 3.857 2091 1909 B 39 LEU HDx% B 39 LEU HG 1.0 1.497 2.491 2092 1910 B 39 LEU HDx% B 77 MET HE% 1.0 1.603 2.831 2093 1911 B 66 ILE HA B 39 LEU HDx% 1.0 1.879 4.151 2094 1912 B 34 LYS HGy B 34 LYS HGx 1.0 1.500 2.500 2095 1913 B 52 LEU HDx% B 50 GLN HE22 1.0 1.571 2.727 2096 1914 B 47 CYS HA B 52 LEU HDx% 1.0 1.718 3.280 2097 1915 B 50 GLN HBx B 52 LEU HDx% 1.0 1.645 2.985 2098 1916 B 75 LEU HDx% B 66 ILE HA 1.0 1.704 3.218 2099 1917 B 75 LEU HDx% B 70 ASP HBx 1.0 1.578 2.748 2100 1918 B 75 LEU HDx% B 70 ASP HBy 1.0 1.612 2.866 2101 1919 B 48 GLU HGx B 44 LYS HGx 1.0 1.870 4.088 2102 1920 B 41 LYS HA B 41 LYS HGx 1.0 1.641 2.969 2103 1921 B 20 LYS HGx B 30 GLN HGx 1.0 1.813 3.739 2104 1922 B 20 LYS HBx B 20 LYS HGy 1.0 1.691 3.165 2105 1923 B 54 MET HA B 57 ILE HG1x 1.0 1.776 3.548 2106 1924 B 48 GLU HGy B 44 LYS HGy 1.0 1.846 3.932 2107 1925 B 18 ASN HBx B 5 LYS HGy 1.0 1.800 3.668 2108 1926 B 48 GLU HGx B 44 LYS HGy 1.0 1.835 3.867 2109 1927 B 11 LYS HA B 11 LYS HGx 1.0 1.757 3.455 2110 1928 B 11 LYS HE3 B 11 LYS HGx 1.0 1.714 3.258 2111 1928 B 11 LYS HE2 B 11 LYS HGx 1.0 1.714 3.258 2112 1929 B 11 LYS HE3 B 11 LYS HGy 1.0 1.711 3.249 2113 1929 B 11 LYS HE2 B 11 LYS HGy 1.0 1.711 3.249 2114 1930 B 32 LYS HA B 32 LYS HGy 1.0 1.786 3.600 2115 1931 B 7 LYS HA B 7 LYS HGx 1.0 1.893 4.255 2116 1932 B 16 HIS HBx B 32 LYS HGy 1.0 1.867 4.067 2117 1933 B 19 LEU HA B 19 LEU HDy% 1.0 1.479 2.439 2118 1934 B 81 ASP HBx B 19 LEU HDy% 1.0 1.649 2.997 2119 1935 B 20 LYS HBx B 19 LEU HDy% 1.0 1.900 4.308 2120 1936 B 19 LEU HDy% B 77 MET HBx 1.0 1.657 3.033 2121 1937 B 81 ASP HBy B 19 LEU HDy% 1.0 1.701 3.207 2122 1938 B 17 ILE HD1% B 19 LEU HDy% 1.0 1.600 2.822 2123 1939 B 71 THR HA B 39 LEU HDy% 1.0 1.849 3.949 2124 1940 B 72 PRO HA B 39 LEU HDy% 1.0 1.828 3.824 2125 1941 B 72 PRO HGy B 39 LEU HDy% 1.0 1.679 3.117 2126 1942 B 39 LEU HG B 39 LEU HDy% 1.0 1.487 2.461 2127 1943 B 42 LEU HBy B 39 LEU HDy% 1.0 1.703 3.215 2128 1944 B 77 MET HE% B 39 LEU HDy% 1.0 1.699 3.195 2129 1945 B 42 LEU HDx% B 39 LEU HDy% 1.0 1.620 2.892 2130 1946 B 42 LEU HDy% B 39 LEU HDy% 1.0 1.706 3.226 2131 1947 B 31 PHE HD2 B 42 LEU HDy% 1.0 1.708 3.236 2132 1947 B 31 PHE HD1 B 42 LEU HDy% 1.0 1.708 3.236 2133 1948 B 59 PHE HD1 B 42 LEU HDy% 1.0 1.762 3.478 2134 1948 B 59 PHE HD2 B 42 LEU HDy% 1.0 1.762 3.478 2135 1949 B 59 PHE HE1 B 42 LEU HDy% 1.0 1.771 3.521 2136 1949 B 59 PHE HE2 B 42 LEU HDy% 1.0 1.771 3.521 2137 1950 B 42 LEU HA B 42 LEU HDy% 1.0 1.726 3.310 2138 1951 B 42 LEU HBx B 42 LEU HDy% 1.0 1.563 2.697 2139 1952 B 83 ILE HG2% B 42 LEU HDy% 1.0 1.740 3.378 2140 1953 B 42 LEU HG B 42 LEU HDy% 1.0 1.462 2.388 2141 1954 B 24 GLN HGx B 52 LEU HDy% 1.0 1.908 4.376 2142 1955 B 29 VAL HGy% B 29 VAL HGx% 1.0 1.372 2.146 2143 1956 B 82 THR HA B 82 THR HG2% 1.0 1.467 2.403 2144 1957 B 82 THR HG2% B 82 THR HB 1.0 1.375 2.153 2145 1958 B 83 ILE HB B 82 THR HG2% 1.0 1.868 4.074 2146 1959 B 82 THR HG2% B 22 ALA HB% 1.0 1.365 2.127 2147 1960 B 82 THR HG2% B 20 LYS HEx 1.0 1.855 3.991 2148 1961 B 75 LEU HDy% B 70 ASP HA 1.0 1.880 4.162 2149 1962 B 75 LEU HDy% B 75 LEU HA 1.0 1.394 2.202 2150 1963 B 75 LEU HDy% B 70 ASP HBx 1.0 1.723 3.301 2151 1964 B 70 ASP HBy B 75 LEU HDy% 1.0 1.604 2.836 2152 1965 B 74 GLN HBy B 75 LEU HDy% 1.0 1.657 3.029 2153 1966 B 87 GLN HE21 B 52 LEU HDy% 1.0 1.748 3.412 2154 1967 B 52 LEU HDy% B 52 LEU HA 1.0 1.463 2.393 2155 1968 B 50 GLN HE22 B 52 LEU HDy% 1.0 1.739 3.369 2156 1969 B 29 VAL HGx% B 49 ARG HDy 1.0 1.676 3.104 2157 1970 B 83 ILE HG2% B 85 VAL HGy% 1.0 1.747 3.407 2158 1971 B 46 TYR HD1 B 21 VAL HGx% 1.0 1.642 2.972 2159 1971 B 46 TYR HD2 B 21 VAL HGx% 1.0 1.642 2.972 2160 1972 B 21 VAL HGx% B 59 PHE HE1 1.0 1.683 3.131 2161 1972 B 21 VAL HGx% B 59 PHE HE2 1.0 1.683 3.131 2162 1973 B 22 ALA HA B 21 VAL HGx% 1.0 1.905 4.353 2163 1974 B 21 VAL HA B 21 VAL HGx% 1.0 1.529 2.591 2164 1975 B 21 VAL HGx% B 21 VAL HB 1.0 1.478 2.436 2165 1976 B 83 ILE HB B 21 VAL HGx% 1.0 1.763 3.483 2166 1977 B 85 VAL HB B 21 VAL HGx% 1.0 1.731 3.335 2167 1978 B 29 VAL HGy% B 21 VAL HGx% 1.0 1.760 3.468 2168 1979 B 83 ILE HG2% B 21 VAL HGx% 1.0 1.692 3.168 2169 1980 B 21 VAL HGx% B 21 VAL HGy% 1.0 1.389 2.191 2170 1981 B 83 ILE HD1% B 21 VAL HGx% 1.0 1.859 4.019 2171 1982 B 85 VAL HGy% B 21 VAL HGx% 1.0 1.470 2.410 2172 1983 B 37 THR HG2% B 37 THR HA 1.0 1.593 2.801 2173 1984 B 37 THR HB B 37 THR HG2% 1.0 1.456 2.372 2174 1985 B 37 THR HG2% B 41 LYS HDy 1.0 1.508 2.522 2175 1986 B 33 ILE HD1% B 37 THR HG2% 1.0 1.647 2.993 2176 1987 B 90 THR HG2% B 88 GLN HBy 1.0 1.781 3.573 2177 1988 B 12 THR HG2% B 11 LYS HBx 1.0 1.805 3.695 2178 1989 B 11 LYS HBy B 12 THR HG2% 1.0 1.802 3.680 2179 1990 B 75 LEU HDy% B 74 GLN HBx 1.0 1.781 3.569 2180 1991 B 28 VAL HA B 28 VAL HGy% 1.0 1.462 2.386 2181 1992 B 28 VAL HGy% B 29 VAL HA 1.0 1.775 3.543 2182 1993 B 28 VAL HGy% B 20 LYS HEx 1.0 1.710 3.244 2183 1994 B 28 VAL HGy% B 28 VAL HB 1.0 1.362 2.120 2184 1995 B 28 VAL HGy% B 20 LYS HGx 1.0 1.538 2.618 2185 1996 B 21 VAL HGy% B 31 PHE HBy 1.0 1.877 4.139 2186 1997 B 31 PHE HD1 B 21 VAL HGy% 1.0 1.529 2.589 2187 1997 B 31 PHE HD2 B 21 VAL HGy% 1.0 1.529 2.589 2188 1998 B 21 VAL HGy% B 59 PHE HE2 1.0 1.856 3.994 2189 1998 B 21 VAL HGy% B 59 PHE HE1 1.0 1.856 3.994 2190 1999 B 21 VAL HB B 21 VAL HGy% 1.0 1.474 2.424 2191 2000 B 83 ILE HB B 21 VAL HGy% 1.0 1.624 2.906 2192 2001 B 21 VAL HGy% B 42 LEU HDy% 1.0 1.584 2.766 2193 2002 B 46 TYR HD1 B 85 VAL HGx% 1.0 1.707 3.229 2194 2002 B 46 TYR HD2 B 85 VAL HGx% 1.0 1.707 3.229 2195 2003 B 85 VAL HGx% B 59 PHE HE1 1.0 1.805 3.699 2196 2003 B 85 VAL HGx% B 59 PHE HE2 1.0 1.805 3.699 2197 2004 B 85 VAL HGx% B 50 GLN HE22 1.0 1.648 2.996 2198 2005 B 85 VAL HGx% B 57 ILE HA 1.0 1.825 3.807 2199 2006 B 85 VAL HGx% B 85 VAL HA 1.0 1.634 2.944 2200 2007 B 85 VAL HGx% B 23 GLY HAx 1.0 1.827 3.819 2201 2008 B 85 VAL HGx% B 24 GLN HGx 1.0 1.852 3.974 2202 2009 B 85 VAL HGx% B 87 GLN HBx 1.0 1.815 3.749 2203 2010 B 85 VAL HGx% B 87 GLN HBy 1.0 1.874 4.112 2204 2011 B 85 VAL HGx% B 57 ILE HB 1.0 1.611 2.861 2205 2012 B 85 VAL HGx% B 85 VAL HB 1.0 1.531 2.595 2206 2013 B 85 VAL HGx% B 57 ILE HD1% 1.0 1.558 2.680 2207 2014 B 85 VAL HGx% B 46 TYR HE2 1.0 1.901 4.321 2208 2014 B 85 VAL HGx% B 46 TYR HE1 1.0 1.901 4.321 2209 2015 B 85 VAL HGx% B 52 LEU HDx% 1.0 1.643 2.977 2210 2016 B 46 TYR HD1 B 85 VAL HGy% 1.0 1.624 2.906 2211 2016 B 46 TYR HD2 B 85 VAL HGy% 1.0 1.624 2.906 2212 2017 B 85 VAL HGy% B 59 PHE HE2 1.0 1.686 3.142 2213 2017 B 85 VAL HGy% B 59 PHE HE1 1.0 1.686 3.142 2214 2018 B 85 VAL HGy% B 59 PHE HA 1.0 1.734 3.350 2215 2019 B 21 VAL HA B 85 VAL HGy% 1.0 1.827 3.823 2216 2020 B 85 VAL HGy% B 85 VAL HA 1.0 1.626 2.916 2217 2021 B 85 VAL HGy% B 23 GLY HAx 1.0 1.819 3.775 2218 2022 B 85 VAL HGy% B 23 GLY HAy 1.0 1.863 4.041 2219 2023 B 85 VAL HGy% B 21 VAL HB 1.0 1.795 3.643 2220 2024 B 85 VAL HGy% B 57 ILE HB 1.0 1.724 3.302 2221 2025 B 85 VAL HGy% B 85 VAL HB 1.0 1.526 2.578 2222 2026 B 85 VAL HGy% B 57 ILE HG1y 1.0 1.778 3.554 2223 2027 B 28 VAL HA B 22 ALA HB% 1.0 1.715 3.267 2224 2028 B 37 THR HG2% B 41 LYS HEx 1.0 1.770 3.518 2225 2029 B 29 VAL HGy% B 46 TYR HA 1.0 1.891 4.241 2226 2030 B 29 VAL HGy% B 46 TYR HE2 1.0 1.748 3.412 2227 2030 B 29 VAL HGy% B 46 TYR HE1 1.0 1.748 3.412 2228 2031 B 29 VAL HGy% B 46 TYR HD1 1.0 1.654 3.020 2229 2031 B 29 VAL HGy% B 46 TYR HD2 1.0 1.654 3.020 2230 2032 B 29 VAL HGy% B 29 VAL HB 1.0 1.430 2.300 2231 2033 B 71 THR HG2% B 37 THR HA 1.0 1.864 4.050 2232 2034 B 71 THR HA B 71 THR HG2% 1.0 1.547 2.647 2233 2035 B 71 THR HB B 71 THR HG2% 1.0 1.494 2.482 2234 2036 B 28 VAL HB B 28 VAL HGx% 1.0 1.372 2.146 2235 2037 B 85 VAL HGx% B 23 GLY HAy 1.0 1.858 4.014 2236 2038 B 22 ALA HB% B 22 ALA HA 1.0 1.416 2.260 2237 2039 B 22 ALA HB% B 28 VAL HGy% 1.0 1.825 3.809 2238 2040 B 9 GLY HAy B 10 VAL HGx% 1.0 1.841 3.903 2239 2041 B 10 VAL HGy% B 35 ARG HDy 1.0 1.884 4.184 2240 2042 B 66 ILE HG1x B 66 ILE HG2% 1.0 1.688 3.152 2241 2043 B 66 ILE HG2% B 77 MET HE% 1.0 1.740 3.378 2242 2044 B 61 PHE HD1 B 66 ILE HG2% 1.0 1.840 3.896 2243 2044 B 61 PHE HD2 B 66 ILE HG2% 1.0 1.840 3.896 2244 2045 B 66 ILE HG2% B 61 PHE HBy 1.0 1.632 2.936 2245 2046 B 66 ILE HG2% B 64 GLN HGx 1.0 1.714 3.260 2246 2047 B 66 ILE HB B 66 ILE HG2% 1.0 1.453 2.361 2247 2048 B 60 ARG HA B 66 ILE HG2% 1.0 1.880 4.156 2248 2049 B 57 ILE HG2% B 59 PHE HE2 1.0 1.786 3.600 2249 2049 B 57 ILE HG2% B 59 PHE HE1 1.0 1.786 3.600 2250 2050 B 57 ILE HG2% B 50 GLN HE22 1.0 1.836 3.874 2251 2051 B 57 ILE HG2% B 57 ILE HA 1.0 1.548 2.650 2252 2052 B 57 ILE HG2% B 87 GLN HE21 1.0 1.630 2.928 2253 2053 B 57 ILE HG2% B 87 GLN HBx 1.0 1.770 3.516 2254 2054 B 57 ILE HG2% B 87 GLN HBy 1.0 1.807 3.709 2255 2055 B 57 ILE HG2% B 57 ILE HB 1.0 1.463 2.391 2256 2056 B 57 ILE HG2% B 52 LEU HBx 1.0 1.711 3.249 2257 2057 B 57 ILE HG2% B 52 LEU HBy 1.0 1.727 3.317 2258 2058 B 31 PHE HD1 B 45 ALA HB% 1.0 1.640 2.966 2259 2058 B 31 PHE HD2 B 45 ALA HB% 1.0 1.640 2.966 2260 2059 B 45 ALA HB% B 42 LEU HA 1.0 1.631 2.933 2261 2060 B 61 PHE HD2 B 77 MET HE% 1.0 1.630 2.930 2262 2060 B 61 PHE HD1 B 77 MET HE% 1.0 1.630 2.930 2263 2061 B 61 PHE HA B 77 MET HE% 1.0 1.843 3.915 2264 2062 B 72 PRO HA B 77 MET HE% 1.0 1.733 3.343 2265 2063 B 61 PHE HBx B 77 MET HE% 1.0 1.670 3.080 2266 2064 B 61 PHE HBy B 77 MET HE% 1.0 1.721 3.293 2267 2065 B 72 PRO HBx B 77 MET HE% 1.0 1.632 2.936 2268 2066 B 75 LEU HBy B 77 MET HE% 1.0 1.676 3.102 2269 2067 B 77 MET HG3 B 77 MET HE% 1.0 1.695 3.179 2270 2068 B 75 LEU HDx% B 77 MET HE% 1.0 1.466 2.402 2271 2069 B 36 HIS HA B 73 ALA HB% 1.0 1.834 3.860 2272 2070 B 71 THR HB B 73 ALA HB% 1.0 1.898 4.296 2273 2071 B 73 ALA HB% B 35 ARG HA 1.0 1.906 4.356 2274 2072 B 72 PRO HBy B 73 ALA HB% 1.0 1.863 4.045 2275 2073 B 73 ALA HB% B 35 ARG HBy 1.0 1.633 2.941 2276 2074 B 83 ILE HG2% B 59 PHE HD2 1.0 1.580 2.756 2277 2074 B 83 ILE HG2% B 59 PHE HD1 1.0 1.580 2.756 2278 2075 B 83 ILE HG2% B 59 PHE HE1 1.0 1.813 3.739 2279 2075 B 83 ILE HG2% B 59 PHE HE2 1.0 1.813 3.739 2280 2076 B 21 VAL HA B 83 ILE HG2% 1.0 1.808 3.712 2281 2077 B 83 ILE HG2% B 59 PHE HBy 1.0 1.691 3.165 2282 2078 B 83 ILE HB B 83 ILE HG2% 1.0 1.550 2.656 2283 2079 B 83 ILE HG2% B 77 MET HE% 1.0 1.749 3.419 2284 2080 B 83 ILE HG2% B 61 PHE HD2 1.0 1.895 4.267 2285 2080 B 83 ILE HG2% B 61 PHE HD1 1.0 1.895 4.267 2286 2081 B 43 MET HE% B 68 GLU HBx 1.0 1.719 3.281 2287 2082 B 43 MET HE% B 68 GLU HA 1.0 1.639 2.963 2288 2083 B 59 PHE HBx B 43 MET HE% 1.0 1.695 3.183 2289 2084 B 59 PHE HBy B 43 MET HE% 1.0 1.765 3.489 2290 2085 B 43 MET HE% B 66 ILE HG1y 1.0 1.593 2.797 2291 2086 B 59 PHE HD1 B 43 MET HE% 1.0 1.694 3.176 2292 2086 B 59 PHE HD2 B 43 MET HE% 1.0 1.694 3.176 2293 2087 B 59 PHE HE1 B 43 MET HE% 1.0 1.822 3.790 2294 2087 B 59 PHE HE2 B 43 MET HE% 1.0 1.822 3.790 2295 2088 B 31 PHE HBy B 33 ILE HG2% 1.0 1.843 3.913 2296 2089 B 31 PHE HBx B 33 ILE HG2% 1.0 1.803 3.691 2297 2090 B 33 ILE HB B 33 ILE HG2% 1.0 1.528 2.588 2298 2091 B 17 ILE HB B 17 ILE HG2% 1.0 1.545 2.639 2299 2092 B 17 ILE HG2% B 35 ARG HGx 1.0 1.642 2.970 2300 2093 B 10 VAL HB B 17 ILE HG2% 1.0 1.762 3.476 2301 2094 B 59 PHE HD2 B 66 ILE HD1% 1.0 1.805 3.695 2302 2094 B 59 PHE HD1 B 66 ILE HD1% 1.0 1.805 3.695 2303 2095 B 66 ILE HD1% B 61 PHE HBy 1.0 1.640 2.968 2304 2096 B 59 PHE HBy B 66 ILE HD1% 1.0 1.673 3.091 2305 2097 B 66 ILE HD1% B 77 MET HE% 1.0 1.610 2.858 2306 2098 B 57 ILE HD1% B 87 GLN HE21 1.0 1.721 3.287 2307 2099 B 57 ILE HD1% B 57 ILE HB 1.0 1.554 2.670 2308 2100 B 59 PHE HZ B 57 ILE HD1% 1.0 1.713 3.257 2309 2101 B 33 ILE HD1% B 33 ILE HA 1.0 1.807 3.709 2310 2102 B 33 ILE HD1% B 39 LEU HA 1.0 1.687 3.149 2311 2103 B 33 ILE HD1% B 42 LEU HA 1.0 1.885 4.199 2312 2104 B 33 ILE HD1% B 33 ILE HB 1.0 1.556 2.676 2313 2105 B 83 ILE HD1% B 59 PHE HD1 1.0 1.837 3.877 2314 2105 B 83 ILE HD1% B 59 PHE HD2 1.0 1.837 3.877 2315 2106 B 83 ILE HD1% B 83 ILE HA 1.0 1.869 4.083 2316 2107 B 83 ILE HB B 83 ILE HD1% 1.0 1.602 2.830 2317 2108 B 83 ILE HD1% B 19 LEU HBx 1.0 1.721 3.289 2318 2109 B 83 ILE HD1% B 77 MET HE% 1.0 1.574 2.734 2319 2110 B 83 ILE HG2% B 83 ILE HD1% 1.0 1.498 2.494 2320 2111 B 83 ILE HD1% B 19 LEU HDy% 1.0 1.506 2.516 2321 2112 B 83 ILE HD1% B 42 LEU HDy% 1.0 1.671 3.083 2322 2113 B 83 ILE HD1% B 61 PHE HD2 1.0 1.904 4.342 2323 2113 B 83 ILE HD1% B 61 PHE HD1 1.0 1.904 4.342 2324 2114 B 17 ILE HD1% B 35 ARG HA 1.0 1.830 3.836 2325 2115 B 17 ILE HD1% B 35 ARG HDy 1.0 1.842 3.908 2326 2116 B 17 ILE HD1% B 77 MET HBx 1.0 1.653 3.013 2327 2117 B 17 ILE HB B 17 ILE HD1% 1.0 1.593 2.799 2328 2118 B 17 ILE HD1% B 17 ILE HG1y 1.0 1.459 2.381 2329 2119 B 17 ILE HD1% B 17 ILE HG2% 1.0 1.565 2.705 2330 2120 B 17 ILE HD1% B 19 LEU HA 1.0 1.898 4.294 2331 2121 B 17 ILE HG1x B 17 ILE HD1% 1.0 1.534 2.606 2332 2122 B 46 TYR HBy B 57 ILE HD1% 1.0 1.903 4.333 2333 2123 B 19 LEU HA B 19 LEU HBx 1.0 1.765 3.493 2334 2124 B 42 LEU HG B 19 LEU HBx 1.0 1.873 4.113 2335 2125 B 19 LEU HBy B 33 ILE HG2% 1.0 1.701 3.207 2336 2126 B 19 LEU HBy B 42 LEU HG 1.0 1.861 4.025 2337 2127 B 19 LEU HBy B 19 LEU HBx 1.0 1.520 2.560 2338 2128 B 47 CYS HA B 52 LEU HBx 1.0 1.800 3.672 2339 2129 B 52 LEU HBx B 52 LEU HA 1.0 1.744 3.394 2340 2130 B 52 LEU HA B 52 LEU HBy 1.0 1.785 3.595 2341 2131 B 47 CYS HA B 52 LEU HBy 1.0 1.754 3.442 2342 2132 B 31 PHE HBx B 33 ILE HB 1.0 1.902 4.324 2343 2133 B 33 ILE HB B 33 ILE HG1x 1.0 1.670 3.082 2344 2134 B 33 ILE HG1y B 33 ILE HB 1.0 1.769 3.511 2345 2135 B 33 ILE HB B 42 LEU HG 1.0 1.862 4.042 2346 2136 B 75 LEU HBx B 61 PHE HBx 1.0 1.890 4.232 2347 2137 B 75 LEU HDx% B 75 LEU HBx 1.0 1.676 3.102 2348 2138 B 17 ILE HB B 17 ILE HG1y 1.0 1.735 3.353 2349 2139 B 17 ILE HB B 17 ILE HG1x 1.0 1.746 3.400 2350 2140 B 75 LEU HBy B 75 LEU HBx 1.0 1.543 2.633 2351 2141 B 75 LEU HBy B 77 MET HG3 1.0 1.850 3.964 2352 2142 B 75 LEU HBy B 75 LEU HDx% 1.0 1.708 3.236 2353 2143 B 42 LEU HBx B 39 LEU HA 1.0 1.911 4.399 2354 2144 B 42 LEU HBx B 39 LEU HDy% 1.0 1.807 3.707 2355 2145 B 42 LEU HA B 42 LEU HBx 1.0 1.781 3.573 2356 2146 B 42 LEU HBx B 42 LEU HG 1.0 1.771 3.525 2357 2147 B 42 LEU HBx B 42 LEU HBy 1.0 1.589 2.785 2358 2148 B 39 LEU HA B 42 LEU HBy 1.0 1.889 4.227 2359 2149 B 42 LEU HA B 42 LEU HBy 1.0 1.707 3.233 2360 2150 B 42 LEU HG B 42 LEU HBy 1.0 1.716 3.268 2361 2151 B 42 LEU HDy% B 42 LEU HBy 1.0 1.799 3.663 2362 2152 B 59 PHE HE2 B 57 ILE HB 1.0 1.912 4.404 2363 2152 B 59 PHE HE1 B 57 ILE HB 1.0 1.912 4.404 2364 2153 B 66 ILE HB B 66 ILE HG1x 1.0 1.765 3.497 2365 2154 B 60 ARG HGy B 60 ARG HDy 1.0 1.712 3.250 2366 2155 B 60 ARG HBy B 60 ARG HDy 1.0 1.729 3.323 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 82 GLY O B 11 LYS NZ 1.0 2.2 2.3 2 2 B 11 LYS NZ A 82 GLY C 1.0 1.3 1.4 3 3 B 11 LYS NZ A 82 GLY CA 1.0 2.4 2.5 4 4 A 82 GLY C B 11 LYS CE 1.0 2.4 2.5 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type undefined 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 B 42 LEU . C 8 VAL HG11 1.0 0.0 2.0 2 1 B 37 THR . C 8 VAL HG21 1.0 0.0 2.0 3 1 A 32 LEU . C 8 VAL HG11 1.0 0.0 2.0 4 1 A 21 PHE . C 8 VAL HG21 1.0 0.0 2.0 5 1 C 8 VAL HG21 B 33 ILE . 1.0 0.0 2.0 6 1 A 23 ILE . C 8 VAL HG11 1.0 0.0 2.0 7 1 A 27 THR . C 8 VAL HG21 1.0 0.0 2.0 8 1 A 31 LYS . C 8 VAL HG11 1.0 0.0 2.0 9 1 B 33 ILE . C 8 VAL HG11 1.0 0.0 2.0 10 1 A 21 PHE . C 8 VAL HG11 1.0 0.0 2.0 11 1 A 27 THR . C 8 VAL HG11 1.0 0.0 2.0 12 1 A 19 VAL . C 8 VAL HG11 1.0 0.0 2.0 13 1 B 41 LYS . C 8 VAL HG11 1.0 0.0 2.0 14 1 B 31 PHE . C 8 VAL HG21 1.0 0.0 2.0 15 1 A 31 LYS . C 8 VAL HG21 1.0 0.0 2.0 16 1 B 29 VAL . C 8 VAL HG11 1.0 0.0 2.0 17 1 C 8 VAL HG21 B 29 VAL . 1.0 0.0 2.0 18 1 C 8 VAL HG21 A 23 ILE . 1.0 0.0 2.0 19 1 B 31 PHE . C 8 VAL HG11 1.0 0.0 2.0 20 1 B 41 LYS . C 8 VAL HG21 1.0 0.0 2.0 21 1 C 8 VAL HG21 A 32 LEU . 1.0 0.0 2.0 22 1 B 37 THR . C 8 VAL HG11 1.0 0.0 2.0 23 1 C 8 VAL HG21 B 42 LEU . 1.0 0.0 2.0 24 1 C 8 VAL HG21 A 19 VAL . 1.0 0.0 2.0 25 2 B 29 VAL . C 10 LEU HD21 1.0 0.0 2.0 26 2 A 27 THR . C 10 LEU HD11 1.0 0.0 2.0 27 2 A 19 VAL . C 10 LEU HD21 1.0 0.0 2.0 28 2 B 29 VAL . C 10 LEU HD11 1.0 0.0 2.0 29 2 B 31 PHE . C 10 LEU HD21 1.0 0.0 2.0 30 2 A 21 PHE . C 10 LEU HD21 1.0 0.0 2.0 31 2 A 32 LEU . C 10 LEU HD11 1.0 0.0 2.0 32 2 B 31 PHE . C 10 LEU HD11 1.0 0.0 2.0 33 2 A 23 ILE . C 10 LEU HD11 1.0 0.0 2.0 34 2 B 37 THR . C 10 LEU HD11 1.0 0.0 2.0 35 2 A 23 ILE . C 10 LEU HD21 1.0 0.0 2.0 36 2 B 42 LEU . C 10 LEU HD11 1.0 0.0 2.0 37 2 B 41 LYS . C 10 LEU HD21 1.0 0.0 2.0 38 2 A 32 LEU . C 10 LEU HD21 1.0 0.0 2.0 39 2 A 31 LYS . C 10 LEU HD11 1.0 0.0 2.0 40 2 A 21 PHE . C 10 LEU HD11 1.0 0.0 2.0 41 2 A 31 LYS . C 10 LEU HD21 1.0 0.0 2.0 42 2 B 37 THR . C 10 LEU HD21 1.0 0.0 2.0 43 2 A 19 VAL . C 10 LEU HD11 1.0 0.0 2.0 44 2 B 33 ILE . C 10 LEU HD21 1.0 0.0 2.0 45 2 B 42 LEU . C 10 LEU HD21 1.0 0.0 2.0 46 2 B 41 LYS . C 10 LEU HD11 1.0 0.0 2.0 47 2 A 27 THR . C 10 LEU HD21 1.0 0.0 2.0 48 2 B 33 ILE . C 10 LEU HD11 1.0 0.0 2.0 49 3 B 31 PHE . C 20 VAL HG11 1.0 0.0 2.0 50 3 B 41 LYS . C 20 VAL HG21 1.0 0.0 2.0 51 3 B 37 THR . C 20 VAL HG11 1.0 0.0 2.0 52 3 A 31 LYS . C 20 VAL HG11 1.0 0.0 2.0 53 3 A 21 PHE . C 20 VAL HG11 1.0 0.0 2.0 54 3 A 27 THR . C 20 VAL HG21 1.0 0.0 2.0 55 3 B 29 VAL . C 20 VAL HG21 1.0 0.0 2.0 56 3 B 42 LEU . C 20 VAL HG11 1.0 0.0 2.0 57 3 B 42 LEU . C 20 VAL HG21 1.0 0.0 2.0 58 3 B 31 PHE . C 20 VAL HG21 1.0 0.0 2.0 59 3 A 23 ILE . C 20 VAL HG11 1.0 0.0 2.0 60 3 B 37 THR . C 20 VAL HG21 1.0 0.0 2.0 61 3 A 27 THR . C 20 VAL HG11 1.0 0.0 2.0 62 3 A 32 LEU . C 20 VAL HG21 1.0 0.0 2.0 63 3 B 33 ILE . C 20 VAL HG11 1.0 0.0 2.0 64 3 A 23 ILE . C 20 VAL HG21 1.0 0.0 2.0 65 3 A 19 VAL . C 20 VAL HG11 1.0 0.0 2.0 66 3 A 32 LEU . C 20 VAL HG11 1.0 0.0 2.0 67 3 B 41 LYS . C 20 VAL HG11 1.0 0.0 2.0 68 3 A 31 LYS . C 20 VAL HG21 1.0 0.0 2.0 69 3 B 33 ILE . C 20 VAL HG21 1.0 0.0 2.0 70 3 A 21 PHE . C 20 VAL HG21 1.0 0.0 2.0 71 3 B 29 VAL . C 20 VAL HG11 1.0 0.0 2.0 72 3 A 19 VAL . C 20 VAL HG21 1.0 0.0 2.0 73 4 B 33 ILE . C 22 LEU HD21 1.0 0.0 2.0 74 4 B 41 LYS . C 22 LEU HD11 1.0 0.0 2.0 75 4 B 37 THR . C 22 LEU HD21 1.0 0.0 2.0 76 4 A 19 VAL . C 22 LEU HD11 1.0 0.0 2.0 77 4 A 21 PHE . C 22 LEU HD11 1.0 0.0 2.0 78 4 B 33 ILE . C 22 LEU HD11 1.0 0.0 2.0 79 4 A 31 LYS . C 22 LEU HD11 1.0 0.0 2.0 80 4 B 29 VAL . C 22 LEU HD11 1.0 0.0 2.0 81 4 B 31 PHE . C 22 LEU HD21 1.0 0.0 2.0 82 4 A 23 ILE . C 22 LEU HD11 1.0 0.0 2.0 83 4 A 21 PHE . C 22 LEU HD21 1.0 0.0 2.0 84 4 A 31 LYS . C 22 LEU HD21 1.0 0.0 2.0 85 4 B 29 VAL . C 22 LEU HD21 1.0 0.0 2.0 86 4 A 27 THR . C 22 LEU HD21 1.0 0.0 2.0 87 4 A 32 LEU . C 22 LEU HD11 1.0 0.0 2.0 88 4 B 42 LEU . C 22 LEU HD21 1.0 0.0 2.0 89 4 B 42 LEU . C 22 LEU HD11 1.0 0.0 2.0 90 4 B 31 PHE . C 22 LEU HD11 1.0 0.0 2.0 91 4 B 41 LYS . C 22 LEU HD21 1.0 0.0 2.0 92 4 B 37 THR . C 22 LEU HD11 1.0 0.0 2.0 93 4 A 23 ILE . C 22 LEU HD21 1.0 0.0 2.0 94 4 A 19 VAL . C 22 LEU HD21 1.0 0.0 2.0 95 4 A 27 THR . C 22 LEU HD11 1.0 0.0 2.0 96 4 A 32 LEU . C 22 LEU HD21 1.0 0.0 2.0 97 5 C 20 VAL . B 31 PHE . 1.0 0.0 4.0 98 5 C 8 VAL . B 31 PHE . 1.0 0.0 4.0 99 6 C 22 LEU . B 31 PHE . 1.0 0.0 4.0 100 6 C 10 LEU . B 31 PHE . 1.0 0.0 4.0 101 7 C 20 VAL . A 21 PHE . 1.0 0.0 4.0 102 7 C 8 VAL . A 21 PHE . 1.0 0.0 4.0 103 8 C 22 LEU . A 21 PHE . 1.0 0.0 4.0 104 8 C 10 LEU . A 21 PHE . 1.0 0.0 4.0 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin pre _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 B 24 GLN H C 26 ASP CB 1.0 0.0 15.0 2 1 B 24 GLN H C 2 THR CB 1.0 0.0 15.0 3 2 B 25 ASP H C 26 ASP CB 1.0 0.0 15.0 4 2 B 25 ASP H C 2 THR CB 1.0 0.0 15.0 5 3 B 28 VAL H C 26 ASP CB 1.0 0.0 20.0 6 3 B 28 VAL H C 2 THR CB 1.0 0.0 20.0 7 4 B 45 ALA H C 26 ASP CB 1.0 0.0 20.0 8 4 B 45 ALA H C 2 THR CB 1.0 0.0 20.0 9 5 B 54 MET H C 26 ASP CB 1.0 0.0 20.0 10 5 B 54 MET H C 2 THR CB 1.0 0.0 20.0 11 6 B 87 GLN H C 26 ASP CB 1.0 0.0 20.0 12 6 B 87 GLN H C 2 THR CB 1.0 0.0 20.0 13 7 A 13 GLY H C 26 ASP CB 1.0 0.0 20.0 14 7 A 13 GLY H C 2 THR CB 1.0 0.0 20.0 15 8 A 14 GLN H C 26 ASP CB 1.0 0.0 15.0 16 8 A 14 GLN H C 2 THR CB 1.0 0.0 15.0 17 9 A 15 ASP H C 26 ASP CB 1.0 0.0 15.0 18 9 A 15 ASP H C 2 THR CB 1.0 0.0 15.0 19 10 A 18 VAL H C 26 ASP CB 1.0 0.0 20.0 20 10 A 18 VAL H C 2 THR CB 1.0 0.0 20.0 21 11 A 20 GLN H C 26 ASP CB 1.0 0.0 20.0 22 11 A 20 GLN H C 2 THR CB 1.0 0.0 20.0 23 12 A 35 ALA H C 26 ASP CB 1.0 0.0 20.0 24 12 A 35 ALA H C 2 THR CB 1.0 0.0 20.0 25 13 A 38 GLU H C 26 ASP CB 1.0 0.0 20.0 26 13 A 38 GLU H C 2 THR CB 1.0 0.0 20.0 27 14 A 39 ARG H C 26 ASP CB 1.0 0.0 20.0 28 14 A 39 ARG H C 2 THR CB 1.0 0.0 20.0 29 15 A 44 MET H C 26 ASP CB 1.0 0.0 15.0 30 15 A 44 MET H C 2 THR CB 1.0 0.0 15.0 31 16 A 77 GLN H C 26 ASP CB 1.0 0.0 15.0 32 16 A 77 GLN H C 2 THR CB 1.0 0.0 15.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type undefined loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 4 ASN . C 21 ASP . 1.0 0.0 2.0 2 1 A 4 ASN . C 22 LEU . 1.0 0.0 2.0 3 1 A 4 ASN . C 19 VAL . 1.0 0.0 2.0 4 1 A 4 ASN . C 7 ILE . 1.0 0.0 2.0 5 1 A 4 ASN . C 20 VAL . 1.0 0.0 2.0 6 1 A 4 ASN . C 8 VAL . 1.0 0.0 2.0 7 1 A 4 ASN . C 11 THR . 1.0 0.0 2.0 8 1 A 4 ASN . C 18 VAL . 1.0 0.0 2.0 9 1 A 4 ASN . C 6 GLU . 1.0 0.0 2.0 10 1 A 4 ASN . C 10 LEU . 1.0 0.0 2.0 11 1 A 4 ASN . C 23 THR . 1.0 0.0 2.0 12 1 A 4 ASN . C 9 ASP . 1.0 0.0 2.0 13 2 C 19 VAL . A 6 HIS . 1.0 0.0 2.0 14 2 C 7 ILE . A 6 HIS . 1.0 0.0 2.0 15 2 C 22 LEU . A 6 HIS . 1.0 0.0 2.0 16 2 C 11 THR . A 6 HIS . 1.0 0.0 2.0 17 2 C 20 VAL . A 6 HIS . 1.0 0.0 2.0 18 2 C 23 THR . A 6 HIS . 1.0 0.0 2.0 19 2 C 10 LEU . A 6 HIS . 1.0 0.0 2.0 20 2 C 18 VAL . A 6 HIS . 1.0 0.0 2.0 21 2 C 6 GLU . A 6 HIS . 1.0 0.0 2.0 22 2 C 21 ASP . A 6 HIS . 1.0 0.0 2.0 23 2 C 9 ASP . A 6 HIS . 1.0 0.0 2.0 24 2 C 8 VAL . A 6 HIS . 1.0 0.0 2.0 25 3 C 23 THR . A 8 ASN . 1.0 0.0 2.0 26 3 C 6 GLU . A 8 ASN . 1.0 0.0 2.0 27 3 C 18 VAL . A 8 ASN . 1.0 0.0 2.0 28 3 C 11 THR . A 8 ASN . 1.0 0.0 2.0 29 3 C 8 VAL . A 8 ASN . 1.0 0.0 2.0 30 3 C 20 VAL . A 8 ASN . 1.0 0.0 2.0 31 3 C 7 ILE . A 8 ASN . 1.0 0.0 2.0 32 3 C 19 VAL . A 8 ASN . 1.0 0.0 2.0 33 3 C 10 LEU . A 8 ASN . 1.0 0.0 2.0 34 3 C 22 LEU . A 8 ASN . 1.0 0.0 2.0 35 3 C 21 ASP . A 8 ASN . 1.0 0.0 2.0 36 3 C 9 ASP . A 8 ASN . 1.0 0.0 2.0 37 4 C 22 LEU . A 20 GLN O 1.0 0.0 2.0 38 4 C 19 VAL . A 20 GLN O 1.0 0.0 2.0 39 4 C 7 ILE . A 20 GLN O 1.0 0.0 2.0 40 4 C 20 VAL . A 20 GLN O 1.0 0.0 2.0 41 4 C 8 VAL . A 20 GLN O 1.0 0.0 2.0 42 4 C 11 THR . A 20 GLN O 1.0 0.0 2.0 43 4 C 18 VAL . A 20 GLN O 1.0 0.0 2.0 44 4 C 6 GLU . A 20 GLN O 1.0 0.0 2.0 45 4 C 10 LEU . A 20 GLN O 1.0 0.0 2.0 46 4 C 23 THR . A 20 GLN O 1.0 0.0 2.0 47 4 C 21 ASP . A 20 GLN O 1.0 0.0 2.0 48 4 C 9 ASP . A 20 GLN O 1.0 0.0 2.0 49 5 A 22 LYS H C 7 ILE . 1.0 0.0 2.0 50 5 A 22 LYS H C 20 VAL . 1.0 0.0 2.0 51 5 A 22 LYS H C 11 THR . 1.0 0.0 2.0 52 5 A 22 LYS H C 22 LEU . 1.0 0.0 2.0 53 5 A 22 LYS H C 6 GLU . 1.0 0.0 2.0 54 5 A 22 LYS H C 19 VAL . 1.0 0.0 2.0 55 5 A 22 LYS H C 23 THR . 1.0 0.0 2.0 56 5 A 22 LYS H C 8 VAL . 1.0 0.0 2.0 57 5 A 22 LYS H C 10 LEU . 1.0 0.0 2.0 58 5 A 22 LYS H C 21 ASP . 1.0 0.0 2.0 59 5 A 22 LYS H C 18 VAL . 1.0 0.0 2.0 60 5 A 22 LYS H C 9 ASP . 1.0 0.0 2.0 61 6 C 19 VAL . A 22 LYS O 1.0 0.0 2.0 62 6 C 20 VAL . A 22 LYS O 1.0 0.0 2.0 63 6 C 10 LEU . A 22 LYS O 1.0 0.0 2.0 64 6 C 18 VAL . A 22 LYS O 1.0 0.0 2.0 65 6 C 7 ILE . A 22 LYS O 1.0 0.0 2.0 66 6 C 23 THR . A 22 LYS O 1.0 0.0 2.0 67 6 C 8 VAL . A 22 LYS O 1.0 0.0 2.0 68 6 C 9 ASP . A 22 LYS O 1.0 0.0 2.0 69 6 C 21 ASP . A 22 LYS O 1.0 0.0 2.0 70 6 C 6 GLU . A 22 LYS O 1.0 0.0 2.0 71 6 C 22 LEU . A 22 LYS O 1.0 0.0 2.0 72 6 C 11 THR . A 22 LYS O 1.0 0.0 2.0 73 7 C 19 VAL . A 24 LYS . 1.0 0.0 2.0 74 7 C 7 ILE . A 24 LYS . 1.0 0.0 2.0 75 7 C 22 LEU . A 24 LYS . 1.0 0.0 2.0 76 7 C 11 THR . A 24 LYS . 1.0 0.0 2.0 77 7 C 20 VAL . A 24 LYS . 1.0 0.0 2.0 78 7 C 23 THR . A 24 LYS . 1.0 0.0 2.0 79 7 C 10 LEU . A 24 LYS . 1.0 0.0 2.0 80 7 C 18 VAL . A 24 LYS . 1.0 0.0 2.0 81 7 C 6 GLU . A 24 LYS . 1.0 0.0 2.0 82 7 C 21 ASP . A 24 LYS . 1.0 0.0 2.0 83 7 C 9 ASP . A 24 LYS . 1.0 0.0 2.0 84 7 C 8 VAL . A 24 LYS . 1.0 0.0 2.0 85 8 C 23 THR . A 25 ARG . 1.0 0.0 2.0 86 8 C 6 GLU . A 25 ARG . 1.0 0.0 2.0 87 8 C 18 VAL . A 25 ARG . 1.0 0.0 2.0 88 8 C 11 THR . A 25 ARG . 1.0 0.0 2.0 89 8 C 20 VAL . A 25 ARG . 1.0 0.0 2.0 90 8 C 7 ILE . A 25 ARG . 1.0 0.0 2.0 91 8 C 19 VAL . A 25 ARG . 1.0 0.0 2.0 92 8 C 8 VAL . A 25 ARG . 1.0 0.0 2.0 93 8 C 22 LEU . A 25 ARG . 1.0 0.0 2.0 94 8 C 9 ASP . A 25 ARG . 1.0 0.0 2.0 95 8 C 21 ASP . A 25 ARG . 1.0 0.0 2.0 96 8 C 10 LEU . A 25 ARG . 1.0 0.0 2.0 97 9 C 22 LEU . A 26 HIS . 1.0 0.0 2.0 98 9 C 19 VAL . A 26 HIS . 1.0 0.0 2.0 99 9 C 7 ILE . A 26 HIS . 1.0 0.0 2.0 100 9 C 20 VAL . A 26 HIS . 1.0 0.0 2.0 101 9 C 8 VAL . A 26 HIS . 1.0 0.0 2.0 102 9 C 11 THR . A 26 HIS . 1.0 0.0 2.0 103 9 C 18 VAL . A 26 HIS . 1.0 0.0 2.0 104 9 C 6 GLU . A 26 HIS . 1.0 0.0 2.0 105 9 C 10 LEU . A 26 HIS . 1.0 0.0 2.0 106 9 C 23 THR . A 26 HIS . 1.0 0.0 2.0 107 9 C 21 ASP . A 26 HIS . 1.0 0.0 2.0 108 9 C 9 ASP . A 26 HIS . 1.0 0.0 2.0 109 10 C 23 THR . A 35 ALA . 1.0 0.0 2.0 110 10 C 18 VAL . A 35 ALA . 1.0 0.0 2.0 111 10 C 6 GLU . A 35 ALA . 1.0 0.0 2.0 112 10 C 21 ASP . A 35 ALA . 1.0 0.0 2.0 113 10 C 9 ASP . A 35 ALA . 1.0 0.0 2.0 114 10 C 19 VAL . A 35 ALA . 1.0 0.0 2.0 115 10 C 7 ILE . A 35 ALA . 1.0 0.0 2.0 116 10 C 10 LEU . A 35 ALA . 1.0 0.0 2.0 117 10 C 22 LEU . A 35 ALA . 1.0 0.0 2.0 118 10 C 20 VAL . A 35 ALA . 1.0 0.0 2.0 119 10 C 11 THR . A 35 ALA . 1.0 0.0 2.0 120 10 C 8 VAL . A 35 ALA . 1.0 0.0 2.0 121 11 C 20 VAL . A 39 ARG . 1.0 0.0 2.0 122 11 C 7 ILE . A 39 ARG . 1.0 0.0 2.0 123 11 C 19 VAL . A 39 ARG . 1.0 0.0 2.0 124 11 C 8 VAL . A 39 ARG . 1.0 0.0 2.0 125 11 C 22 LEU . A 39 ARG . 1.0 0.0 2.0 126 11 C 21 ASP . A 39 ARG . 1.0 0.0 2.0 127 11 C 23 THR . A 39 ARG . 1.0 0.0 2.0 128 11 C 10 LEU . A 39 ARG . 1.0 0.0 2.0 129 11 C 6 GLU . A 39 ARG . 1.0 0.0 2.0 130 11 C 18 VAL . A 39 ARG . 1.0 0.0 2.0 131 11 C 11 THR . A 39 ARG . 1.0 0.0 2.0 132 11 C 9 ASP . A 39 ARG . 1.0 0.0 2.0 133 12 C 18 VAL . B 14 ASN . 1.0 0.0 2.0 134 12 C 6 GLU . B 14 ASN . 1.0 0.0 2.0 135 12 C 23 THR . B 14 ASN . 1.0 0.0 2.0 136 12 C 11 THR . B 14 ASN . 1.0 0.0 2.0 137 12 C 21 ASP . B 14 ASN . 1.0 0.0 2.0 138 12 C 22 LEU . B 14 ASN . 1.0 0.0 2.0 139 12 C 10 LEU . B 14 ASN . 1.0 0.0 2.0 140 12 C 19 VAL . B 14 ASN . 1.0 0.0 2.0 141 12 C 7 ILE . B 14 ASN . 1.0 0.0 2.0 142 12 C 20 VAL . B 14 ASN . 1.0 0.0 2.0 143 12 C 8 VAL . B 14 ASN . 1.0 0.0 2.0 144 12 C 9 ASP . B 14 ASN . 1.0 0.0 2.0 145 13 C 10 LEU . B 16 HIS . 1.0 0.0 2.0 146 13 C 22 LEU . B 16 HIS . 1.0 0.0 2.0 147 13 C 7 ILE . B 16 HIS . 1.0 0.0 2.0 148 13 C 19 VAL . B 16 HIS . 1.0 0.0 2.0 149 13 C 21 ASP . B 16 HIS . 1.0 0.0 2.0 150 13 C 6 GLU . B 16 HIS . 1.0 0.0 2.0 151 13 C 18 VAL . B 16 HIS . 1.0 0.0 2.0 152 13 C 9 ASP . B 16 HIS . 1.0 0.0 2.0 153 13 C 23 THR . B 16 HIS . 1.0 0.0 2.0 154 13 C 8 VAL . B 16 HIS . 1.0 0.0 2.0 155 13 C 20 VAL . B 16 HIS . 1.0 0.0 2.0 156 13 C 11 THR . B 16 HIS . 1.0 0.0 2.0 157 14 C 11 THR . B 18 ASN . 1.0 0.0 2.0 158 14 C 9 ASP . B 18 ASN . 1.0 0.0 2.0 159 14 C 20 VAL . B 18 ASN . 1.0 0.0 2.0 160 14 C 19 VAL . B 18 ASN . 1.0 0.0 2.0 161 14 C 22 LEU . B 18 ASN . 1.0 0.0 2.0 162 14 C 6 GLU . B 18 ASN . 1.0 0.0 2.0 163 14 C 21 ASP . B 18 ASN . 1.0 0.0 2.0 164 14 C 10 LEU . B 18 ASN . 1.0 0.0 2.0 165 14 C 23 THR . B 18 ASN . 1.0 0.0 2.0 166 14 C 7 ILE . B 18 ASN . 1.0 0.0 2.0 167 14 C 18 VAL . B 18 ASN . 1.0 0.0 2.0 168 14 C 8 VAL . B 18 ASN . 1.0 0.0 2.0 169 15 C 22 LEU . B 30 GLN O 1.0 0.0 2.0 170 15 C 10 LEU . B 30 GLN O 1.0 0.0 2.0 171 15 C 19 VAL . B 30 GLN O 1.0 0.0 2.0 172 15 C 7 ILE . B 30 GLN O 1.0 0.0 2.0 173 15 C 20 VAL . B 30 GLN O 1.0 0.0 2.0 174 15 C 8 VAL . B 30 GLN O 1.0 0.0 2.0 175 15 C 18 VAL . B 30 GLN O 1.0 0.0 2.0 176 15 C 21 ASP . B 30 GLN O 1.0 0.0 2.0 177 15 C 6 GLU . B 30 GLN O 1.0 0.0 2.0 178 15 C 11 THR . B 30 GLN O 1.0 0.0 2.0 179 15 C 23 THR . B 30 GLN O 1.0 0.0 2.0 180 15 C 9 ASP . B 30 GLN O 1.0 0.0 2.0 181 16 B 32 LYS H C 21 ASP . 1.0 0.0 2.0 182 16 B 32 LYS H C 22 LEU . 1.0 0.0 2.0 183 16 B 32 LYS H C 19 VAL . 1.0 0.0 2.0 184 16 B 32 LYS H C 7 ILE . 1.0 0.0 2.0 185 16 B 32 LYS H C 20 VAL . 1.0 0.0 2.0 186 16 B 32 LYS H C 8 VAL . 1.0 0.0 2.0 187 16 B 32 LYS H C 11 THR . 1.0 0.0 2.0 188 16 B 32 LYS H C 18 VAL . 1.0 0.0 2.0 189 16 B 32 LYS H C 6 GLU . 1.0 0.0 2.0 190 16 B 32 LYS H C 10 LEU . 1.0 0.0 2.0 191 16 B 32 LYS H C 23 THR . 1.0 0.0 2.0 192 16 B 32 LYS H C 9 ASP . 1.0 0.0 2.0 193 17 C 18 VAL . B 32 LYS O 1.0 0.0 2.0 194 17 C 6 GLU . B 32 LYS O 1.0 0.0 2.0 195 17 C 23 THR . B 32 LYS O 1.0 0.0 2.0 196 17 C 11 THR . B 32 LYS O 1.0 0.0 2.0 197 17 C 21 ASP . B 32 LYS O 1.0 0.0 2.0 198 17 C 22 LEU . B 32 LYS O 1.0 0.0 2.0 199 17 C 10 LEU . B 32 LYS O 1.0 0.0 2.0 200 17 C 19 VAL . B 32 LYS O 1.0 0.0 2.0 201 17 C 7 ILE . B 32 LYS O 1.0 0.0 2.0 202 17 C 20 VAL . B 32 LYS O 1.0 0.0 2.0 203 17 C 8 VAL . B 32 LYS O 1.0 0.0 2.0 204 17 C 9 ASP . B 32 LYS O 1.0 0.0 2.0 205 18 C 22 LEU . B 34 LYS . 1.0 0.0 2.0 206 18 C 7 ILE . B 34 LYS . 1.0 0.0 2.0 207 18 C 19 VAL . B 34 LYS . 1.0 0.0 2.0 208 18 C 9 ASP . B 34 LYS . 1.0 0.0 2.0 209 18 C 21 ASP . B 34 LYS . 1.0 0.0 2.0 210 18 C 6 GLU . B 34 LYS . 1.0 0.0 2.0 211 18 C 18 VAL . B 34 LYS . 1.0 0.0 2.0 212 18 C 10 LEU . B 34 LYS . 1.0 0.0 2.0 213 18 C 23 THR . B 34 LYS . 1.0 0.0 2.0 214 18 C 8 VAL . B 34 LYS . 1.0 0.0 2.0 215 18 C 20 VAL . B 34 LYS . 1.0 0.0 2.0 216 18 C 11 THR . B 34 LYS . 1.0 0.0 2.0 217 19 C 10 LEU . B 35 ARG . 1.0 0.0 2.0 218 19 C 9 ASP . B 35 ARG . 1.0 0.0 2.0 219 19 C 20 VAL . B 35 ARG . 1.0 0.0 2.0 220 19 C 19 VAL . B 35 ARG . 1.0 0.0 2.0 221 19 C 22 LEU . B 35 ARG . 1.0 0.0 2.0 222 19 C 6 GLU . B 35 ARG . 1.0 0.0 2.0 223 19 C 21 ASP . B 35 ARG . 1.0 0.0 2.0 224 19 C 11 THR . B 35 ARG . 1.0 0.0 2.0 225 19 C 18 VAL . B 35 ARG . 1.0 0.0 2.0 226 19 C 23 THR . B 35 ARG . 1.0 0.0 2.0 227 19 C 7 ILE . B 35 ARG . 1.0 0.0 2.0 228 19 C 8 VAL . B 35 ARG . 1.0 0.0 2.0 229 20 C 22 LEU . B 36 HIS . 1.0 0.0 2.0 230 20 C 19 VAL . B 36 HIS . 1.0 0.0 2.0 231 20 C 7 ILE . B 36 HIS . 1.0 0.0 2.0 232 20 C 20 VAL . B 36 HIS . 1.0 0.0 2.0 233 20 C 8 VAL . B 36 HIS . 1.0 0.0 2.0 234 20 C 11 THR . B 36 HIS . 1.0 0.0 2.0 235 20 C 18 VAL . B 36 HIS . 1.0 0.0 2.0 236 20 C 6 GLU . B 36 HIS . 1.0 0.0 2.0 237 20 C 10 LEU . B 36 HIS . 1.0 0.0 2.0 238 20 C 23 THR . B 36 HIS . 1.0 0.0 2.0 239 20 C 9 ASP . B 36 HIS . 1.0 0.0 2.0 240 20 C 21 ASP . B 36 HIS . 1.0 0.0 2.0 241 21 C 21 ASP . B 45 ALA . 1.0 0.0 2.0 242 21 C 6 GLU . B 45 ALA . 1.0 0.0 2.0 243 21 C 18 VAL . B 45 ALA . 1.0 0.0 2.0 244 21 C 23 THR . B 45 ALA . 1.0 0.0 2.0 245 21 C 20 VAL . B 45 ALA . 1.0 0.0 2.0 246 21 C 9 ASP . B 45 ALA . 1.0 0.0 2.0 247 21 C 10 LEU . B 45 ALA . 1.0 0.0 2.0 248 21 C 22 LEU . B 45 ALA . 1.0 0.0 2.0 249 21 C 8 VAL . B 45 ALA . 1.0 0.0 2.0 250 21 C 7 ILE . B 45 ALA . 1.0 0.0 2.0 251 21 C 19 VAL . B 45 ALA . 1.0 0.0 2.0 252 21 C 11 THR . B 45 ALA . 1.0 0.0 2.0 253 22 C 6 GLU . B 49 ARG . 1.0 0.0 2.0 254 22 C 21 ASP . B 49 ARG . 1.0 0.0 2.0 255 22 C 22 LEU . B 49 ARG . 1.0 0.0 2.0 256 22 C 23 THR . B 49 ARG . 1.0 0.0 2.0 257 22 C 7 ILE . B 49 ARG . 1.0 0.0 2.0 258 22 C 18 VAL . B 49 ARG . 1.0 0.0 2.0 259 22 C 10 LEU . B 49 ARG . 1.0 0.0 2.0 260 22 C 9 ASP . B 49 ARG . 1.0 0.0 2.0 261 22 C 11 THR . B 49 ARG . 1.0 0.0 2.0 262 22 C 20 VAL . B 49 ARG . 1.0 0.0 2.0 263 22 C 19 VAL . B 49 ARG . 1.0 0.0 2.0 264 22 C 8 VAL . B 49 ARG . 1.0 0.0 2.0 265 23 C 7 ILE . A 39 ARG . 1.0 0.0 2.0 266 23 C 7 ILE . B 41 LYS . 1.0 0.0 2.0 267 23 C 7 ILE . B 49 ARG . 1.0 0.0 2.0 268 23 C 7 ILE . B 13 GLU . 1.0 0.0 2.0 269 23 C 7 ILE . A 25 ARG . 1.0 0.0 2.0 270 23 C 7 ILE . A 35 ALA . 1.0 0.0 2.0 271 23 C 7 ILE . B 48 GLU . 1.0 0.0 2.0 272 23 C 7 ILE . A 3 GLU . 1.0 0.0 2.0 273 23 C 7 ILE . B 16 HIS . 1.0 0.0 2.0 274 23 C 7 ILE . B 28 VAL . 1.0 0.0 2.0 275 23 C 7 ILE . A 38 GLU . 1.0 0.0 2.0 276 23 C 7 ILE . B 31 PHE . 1.0 0.0 2.0 277 23 C 7 ILE . B 80 GLU . 1.0 0.0 2.0 278 23 C 7 ILE . A 18 VAL . 1.0 0.0 2.0 279 23 C 7 ILE . A 27 THR . 1.0 0.0 2.0 280 23 C 7 ILE . A 21 PHE . 1.0 0.0 2.0 281 23 C 7 ILE . B 32 LYS . 1.0 0.0 2.0 282 23 C 7 ILE . A 26 HIS . 1.0 0.0 2.0 283 23 C 7 ILE . A 20 GLN . 1.0 0.0 2.0 284 23 C 7 ILE . B 34 LYS . 1.0 0.0 2.0 285 23 A 4 ASN . C 7 ILE . 1.0 0.0 2.0 286 23 C 7 ILE . A 22 LYS . 1.0 0.0 2.0 287 23 C 7 ILE . B 35 ARG . 1.0 0.0 2.0 288 23 C 7 ILE . B 18 ASN . 1.0 0.0 2.0 289 23 C 7 ILE . A 6 HIS . 1.0 0.0 2.0 290 23 C 7 ILE . A 24 LYS . 1.0 0.0 2.0 291 23 C 7 ILE . B 30 GLN . 1.0 0.0 2.0 292 23 C 7 ILE . B 36 HIS . 1.0 0.0 2.0 293 23 C 7 ILE . B 37 THR . 1.0 0.0 2.0 294 23 C 7 ILE . A 31 LYS . 1.0 0.0 2.0 295 23 C 7 ILE . A 8 ASN . 1.0 0.0 2.0 296 23 C 7 ILE . B 45 ALA . 1.0 0.0 2.0 297 23 C 7 ILE . B 14 ASN . 1.0 0.0 2.0 298 23 C 7 ILE . A 70 GLU . 1.0 0.0 2.0 299 24 C 8 VAL . A 70 GLU . 1.0 0.0 2.0 300 24 C 8 VAL . B 80 GLU . 1.0 0.0 2.0 301 24 C 8 VAL . B 45 ALA . 1.0 0.0 2.0 302 24 C 8 VAL . A 6 HIS . 1.0 0.0 2.0 303 24 C 8 VAL . B 31 PHE . 1.0 0.0 2.0 304 24 C 8 VAL . B 34 LYS . 1.0 0.0 2.0 305 24 C 8 VAL . B 48 GLU . 1.0 0.0 2.0 306 24 C 8 VAL . B 36 HIS . 1.0 0.0 2.0 307 24 C 8 VAL . A 27 THR . 1.0 0.0 2.0 308 24 C 8 VAL . B 30 GLN . 1.0 0.0 2.0 309 24 C 8 VAL . B 49 ARG . 1.0 0.0 2.0 310 24 C 8 VAL . B 41 LYS . 1.0 0.0 2.0 311 24 C 8 VAL . A 31 LYS . 1.0 0.0 2.0 312 24 C 8 VAL . A 22 LYS . 1.0 0.0 2.0 313 24 C 8 VAL . B 16 HIS . 1.0 0.0 2.0 314 24 C 8 VAL . B 14 ASN . 1.0 0.0 2.0 315 24 C 8 VAL . B 28 VAL . 1.0 0.0 2.0 316 24 C 8 VAL . A 20 GLN . 1.0 0.0 2.0 317 24 C 8 VAL . B 37 THR . 1.0 0.0 2.0 318 24 C 8 VAL . B 35 ARG . 1.0 0.0 2.0 319 24 C 8 VAL . A 21 PHE . 1.0 0.0 2.0 320 24 C 8 VAL . A 24 LYS . 1.0 0.0 2.0 321 24 C 8 VAL . A 18 VAL . 1.0 0.0 2.0 322 24 C 8 VAL . B 18 ASN . 1.0 0.0 2.0 323 24 C 8 VAL . A 38 GLU . 1.0 0.0 2.0 324 24 C 8 VAL . A 35 ALA . 1.0 0.0 2.0 325 24 C 8 VAL . A 3 GLU . 1.0 0.0 2.0 326 24 C 8 VAL . A 26 HIS . 1.0 0.0 2.0 327 24 C 8 VAL . A 8 ASN . 1.0 0.0 2.0 328 24 C 8 VAL . B 13 GLU . 1.0 0.0 2.0 329 24 C 8 VAL . B 32 LYS . 1.0 0.0 2.0 330 24 C 8 VAL . A 25 ARG . 1.0 0.0 2.0 331 24 A 4 ASN . C 8 VAL . 1.0 0.0 2.0 332 24 C 8 VAL . A 39 ARG . 1.0 0.0 2.0 333 25 C 9 ASP . A 6 HIS . 1.0 0.0 4.0 334 25 C 9 ASP . B 18 ASN . 1.0 0.0 4.0 335 25 C 9 ASP . B 13 GLU . 1.0 0.0 4.0 336 25 C 9 ASP . A 35 ALA . 1.0 0.0 4.0 337 25 C 9 ASP . A 3 GLU . 1.0 0.0 4.0 338 25 C 9 ASP . B 49 ARG . 1.0 0.0 4.0 339 25 C 9 ASP . B 37 THR . 1.0 0.0 4.0 340 25 C 9 ASP . A 8 ASN . 1.0 0.0 4.0 341 25 C 9 ASP . B 16 HIS . 1.0 0.0 4.0 342 25 C 9 ASP . B 31 PHE . 1.0 0.0 4.0 343 25 C 9 ASP . A 18 VAL . 1.0 0.0 4.0 344 25 C 9 ASP . A 39 ARG . 1.0 0.0 4.0 345 25 C 9 ASP . A 21 PHE . 1.0 0.0 4.0 346 25 C 9 ASP . A 38 GLU . 1.0 0.0 4.0 347 25 C 9 ASP . B 80 GLU . 1.0 0.0 4.0 348 25 C 9 ASP . A 22 LYS . 1.0 0.0 4.0 349 25 C 9 ASP . A 27 THR . 1.0 0.0 4.0 350 25 C 9 ASP . A 25 ARG . 1.0 0.0 4.0 351 25 C 9 ASP . A 24 LYS . 1.0 0.0 4.0 352 25 C 9 ASP . A 26 HIS . 1.0 0.0 4.0 353 25 C 9 ASP . B 28 VAL . 1.0 0.0 4.0 354 25 C 9 ASP . B 34 LYS . 1.0 0.0 4.0 355 25 C 9 ASP . B 45 ALA . 1.0 0.0 4.0 356 25 C 9 ASP . B 14 ASN . 1.0 0.0 4.0 357 25 C 9 ASP . B 35 ARG . 1.0 0.0 4.0 358 25 C 9 ASP . B 36 HIS . 1.0 0.0 4.0 359 25 C 9 ASP . B 41 LYS . 1.0 0.0 4.0 360 25 A 4 ASN . C 9 ASP . 1.0 0.0 4.0 361 25 C 9 ASP . B 32 LYS . 1.0 0.0 4.0 362 25 C 9 ASP . B 30 GLN . 1.0 0.0 4.0 363 25 C 9 ASP . A 20 GLN . 1.0 0.0 4.0 364 25 C 9 ASP . B 48 GLU . 1.0 0.0 4.0 365 25 C 9 ASP . A 70 GLU . 1.0 0.0 4.0 366 25 C 9 ASP . A 31 LYS . 1.0 0.0 4.0 367 26 C 10 LEU . B 18 ASN . 1.0 0.0 2.0 368 26 C 10 LEU . B 28 VAL . 1.0 0.0 2.0 369 26 C 10 LEU . B 41 LYS . 1.0 0.0 2.0 370 26 C 10 LEU . A 70 GLU . 1.0 0.0 2.0 371 26 C 10 LEU . A 22 LYS . 1.0 0.0 2.0 372 26 C 10 LEU . B 14 ASN . 1.0 0.0 2.0 373 26 C 10 LEU . A 8 ASN . 1.0 0.0 2.0 374 26 C 10 LEU . A 31 LYS . 1.0 0.0 2.0 375 26 C 10 LEU . B 32 LYS . 1.0 0.0 2.0 376 26 C 10 LEU . A 39 ARG . 1.0 0.0 2.0 377 26 C 10 LEU . A 24 LYS . 1.0 0.0 2.0 378 26 C 10 LEU . A 18 VAL . 1.0 0.0 2.0 379 26 C 10 LEU . B 80 GLU . 1.0 0.0 2.0 380 26 C 10 LEU . B 45 ALA . 1.0 0.0 2.0 381 26 C 10 LEU . A 38 GLU . 1.0 0.0 2.0 382 26 C 10 LEU . A 3 GLU . 1.0 0.0 2.0 383 26 C 10 LEU . A 25 ARG . 1.0 0.0 2.0 384 26 C 10 LEU . A 26 HIS . 1.0 0.0 2.0 385 26 C 10 LEU . A 6 HIS . 1.0 0.0 2.0 386 26 C 10 LEU . B 49 ARG . 1.0 0.0 2.0 387 26 C 10 LEU . B 13 GLU . 1.0 0.0 2.0 388 26 C 10 LEU . B 36 HIS . 1.0 0.0 2.0 389 26 C 10 LEU . B 35 ARG . 1.0 0.0 2.0 390 26 C 10 LEU . B 30 GLN . 1.0 0.0 2.0 391 26 C 10 LEU . B 34 LYS . 1.0 0.0 2.0 392 26 A 4 ASN . C 10 LEU . 1.0 0.0 2.0 393 26 C 10 LEU . B 16 HIS . 1.0 0.0 2.0 394 26 C 10 LEU . B 31 PHE . 1.0 0.0 2.0 395 26 C 10 LEU . A 20 GLN . 1.0 0.0 2.0 396 26 C 10 LEU . B 37 THR . 1.0 0.0 2.0 397 26 C 10 LEU . A 21 PHE . 1.0 0.0 2.0 398 26 C 10 LEU . B 48 GLU . 1.0 0.0 2.0 399 26 C 10 LEU . A 35 ALA . 1.0 0.0 2.0 400 26 C 10 LEU . A 27 THR . 1.0 0.0 2.0 401 27 C 19 VAL . A 24 LYS . 1.0 0.0 2.0 402 27 A 4 ASN . C 19 VAL . 1.0 0.0 2.0 403 27 C 19 VAL . B 16 HIS . 1.0 0.0 2.0 404 27 C 19 VAL . B 37 THR . 1.0 0.0 2.0 405 27 C 19 VAL . B 18 ASN . 1.0 0.0 2.0 406 27 C 19 VAL . B 34 LYS . 1.0 0.0 2.0 407 27 C 19 VAL . A 21 PHE . 1.0 0.0 2.0 408 27 C 19 VAL . A 22 LYS . 1.0 0.0 2.0 409 27 C 19 VAL . B 14 ASN . 1.0 0.0 2.0 410 27 C 19 VAL . A 18 VAL . 1.0 0.0 2.0 411 27 C 19 VAL . B 30 GLN . 1.0 0.0 2.0 412 27 C 19 VAL . A 20 GLN . 1.0 0.0 2.0 413 27 C 19 VAL . B 31 PHE . 1.0 0.0 2.0 414 27 C 19 VAL . A 38 GLU . 1.0 0.0 2.0 415 27 C 19 VAL . B 32 LYS . 1.0 0.0 2.0 416 27 C 19 VAL . A 26 HIS . 1.0 0.0 2.0 417 27 C 19 VAL . A 6 HIS . 1.0 0.0 2.0 418 27 C 19 VAL . B 48 GLU . 1.0 0.0 2.0 419 27 C 19 VAL . A 8 ASN . 1.0 0.0 2.0 420 27 C 19 VAL . B 80 GLU . 1.0 0.0 2.0 421 27 C 19 VAL . B 28 VAL . 1.0 0.0 2.0 422 27 C 19 VAL . B 36 HIS . 1.0 0.0 2.0 423 27 C 19 VAL . A 3 GLU . 1.0 0.0 2.0 424 27 C 19 VAL . A 35 ALA . 1.0 0.0 2.0 425 27 C 19 VAL . A 25 ARG . 1.0 0.0 2.0 426 27 C 19 VAL . B 45 ALA . 1.0 0.0 2.0 427 27 C 19 VAL . B 49 ARG . 1.0 0.0 2.0 428 27 C 19 VAL . B 35 ARG . 1.0 0.0 2.0 429 27 C 19 VAL . B 13 GLU . 1.0 0.0 2.0 430 27 C 19 VAL . B 41 LYS . 1.0 0.0 2.0 431 27 C 19 VAL . A 39 ARG . 1.0 0.0 2.0 432 27 C 19 VAL . A 70 GLU . 1.0 0.0 2.0 433 27 C 19 VAL . A 27 THR . 1.0 0.0 2.0 434 27 C 19 VAL . A 31 LYS . 1.0 0.0 2.0 435 28 C 20 VAL . B 28 VAL . 1.0 0.0 2.0 436 28 C 20 VAL . B 35 ARG . 1.0 0.0 2.0 437 28 C 20 VAL . A 22 LYS . 1.0 0.0 2.0 438 28 A 4 ASN . C 20 VAL . 1.0 0.0 2.0 439 28 C 20 VAL . B 41 LYS . 1.0 0.0 2.0 440 28 C 20 VAL . B 49 ARG . 1.0 0.0 2.0 441 28 C 20 VAL . B 14 ASN . 1.0 0.0 2.0 442 28 C 20 VAL . B 16 HIS . 1.0 0.0 2.0 443 28 C 20 VAL . B 18 ASN . 1.0 0.0 2.0 444 28 C 20 VAL . A 20 GLN . 1.0 0.0 2.0 445 28 C 20 VAL . A 18 VAL . 1.0 0.0 2.0 446 28 C 20 VAL . A 21 PHE . 1.0 0.0 2.0 447 28 C 20 VAL . B 36 HIS . 1.0 0.0 2.0 448 28 C 20 VAL . A 26 HIS . 1.0 0.0 2.0 449 28 C 20 VAL . A 31 LYS . 1.0 0.0 2.0 450 28 C 20 VAL . B 34 LYS . 1.0 0.0 2.0 451 28 C 20 VAL . B 37 THR . 1.0 0.0 2.0 452 28 C 20 VAL . A 27 THR . 1.0 0.0 2.0 453 28 C 20 VAL . B 13 GLU . 1.0 0.0 2.0 454 28 C 20 VAL . B 80 GLU . 1.0 0.0 2.0 455 28 C 20 VAL . B 48 GLU . 1.0 0.0 2.0 456 28 C 20 VAL . A 35 ALA . 1.0 0.0 2.0 457 28 C 20 VAL . A 25 ARG . 1.0 0.0 2.0 458 28 C 20 VAL . B 30 GLN . 1.0 0.0 2.0 459 28 C 20 VAL . A 8 ASN . 1.0 0.0 2.0 460 28 C 20 VAL . A 70 GLU . 1.0 0.0 2.0 461 28 C 20 VAL . A 39 ARG . 1.0 0.0 2.0 462 28 C 20 VAL . B 32 LYS . 1.0 0.0 2.0 463 28 C 20 VAL . B 31 PHE . 1.0 0.0 2.0 464 28 C 20 VAL . B 45 ALA . 1.0 0.0 2.0 465 28 C 20 VAL . A 6 HIS . 1.0 0.0 2.0 466 28 C 20 VAL . A 24 LYS . 1.0 0.0 2.0 467 28 C 20 VAL . A 3 GLU . 1.0 0.0 2.0 468 28 C 20 VAL . A 38 GLU . 1.0 0.0 2.0 469 29 C 21 ASP . B 80 GLU . 1.0 0.0 4.0 470 29 C 21 ASP . A 35 ALA . 1.0 0.0 4.0 471 29 C 21 ASP . B 30 GLN . 1.0 0.0 4.0 472 29 C 21 ASP . A 25 ARG . 1.0 0.0 4.0 473 29 A 4 ASN . C 21 ASP . 1.0 0.0 4.0 474 29 C 21 ASP . B 45 ALA . 1.0 0.0 4.0 475 29 C 21 ASP . A 70 GLU . 1.0 0.0 4.0 476 29 C 21 ASP . A 24 LYS . 1.0 0.0 4.0 477 29 C 21 ASP . A 38 GLU . 1.0 0.0 4.0 478 29 C 21 ASP . B 32 LYS . 1.0 0.0 4.0 479 29 C 21 ASP . B 31 PHE . 1.0 0.0 4.0 480 29 C 21 ASP . A 3 GLU . 1.0 0.0 4.0 481 29 C 21 ASP . B 13 GLU . 1.0 0.0 4.0 482 29 C 21 ASP . A 6 HIS . 1.0 0.0 4.0 483 29 C 21 ASP . A 26 HIS . 1.0 0.0 4.0 484 29 C 21 ASP . A 8 ASN . 1.0 0.0 4.0 485 29 C 21 ASP . B 28 VAL . 1.0 0.0 4.0 486 29 C 21 ASP . B 14 ASN . 1.0 0.0 4.0 487 29 C 21 ASP . B 16 HIS . 1.0 0.0 4.0 488 29 C 21 ASP . B 18 ASN . 1.0 0.0 4.0 489 29 C 21 ASP . A 22 LYS . 1.0 0.0 4.0 490 29 C 21 ASP . B 35 ARG . 1.0 0.0 4.0 491 29 C 21 ASP . A 18 VAL . 1.0 0.0 4.0 492 29 C 21 ASP . B 41 LYS . 1.0 0.0 4.0 493 29 C 21 ASP . A 39 ARG . 1.0 0.0 4.0 494 29 C 21 ASP . B 36 HIS . 1.0 0.0 4.0 495 29 C 21 ASP . A 21 PHE . 1.0 0.0 4.0 496 29 C 21 ASP . B 49 ARG . 1.0 0.0 4.0 497 29 C 21 ASP . B 34 LYS . 1.0 0.0 4.0 498 29 C 21 ASP . B 37 THR . 1.0 0.0 4.0 499 29 C 21 ASP . A 27 THR . 1.0 0.0 4.0 500 29 C 21 ASP . A 20 GLN . 1.0 0.0 4.0 501 29 C 21 ASP . B 48 GLU . 1.0 0.0 4.0 502 29 C 21 ASP . A 31 LYS . 1.0 0.0 4.0 503 30 C 22 LEU . B 41 LYS . 1.0 0.0 2.0 504 30 C 22 LEU . B 28 VAL . 1.0 0.0 2.0 505 30 C 22 LEU . B 18 ASN . 1.0 0.0 2.0 506 30 C 22 LEU . B 14 ASN . 1.0 0.0 2.0 507 30 C 22 LEU . A 24 LYS . 1.0 0.0 2.0 508 30 C 22 LEU . A 35 ALA . 1.0 0.0 2.0 509 30 A 4 ASN . C 22 LEU . 1.0 0.0 2.0 510 30 C 22 LEU . B 34 LYS . 1.0 0.0 2.0 511 30 C 22 LEU . B 35 ARG . 1.0 0.0 2.0 512 30 C 22 LEU . A 20 GLN . 1.0 0.0 2.0 513 30 C 22 LEU . A 27 THR . 1.0 0.0 2.0 514 30 C 22 LEU . A 70 GLU . 1.0 0.0 2.0 515 30 C 22 LEU . B 80 GLU . 1.0 0.0 2.0 516 30 C 22 LEU . B 48 GLU . 1.0 0.0 2.0 517 30 C 22 LEU . A 21 PHE . 1.0 0.0 2.0 518 30 C 22 LEU . A 38 GLU . 1.0 0.0 2.0 519 30 C 22 LEU . B 37 THR . 1.0 0.0 2.0 520 30 C 22 LEU . B 49 ARG . 1.0 0.0 2.0 521 30 C 22 LEU . B 31 PHE . 1.0 0.0 2.0 522 30 C 22 LEU . B 16 HIS . 1.0 0.0 2.0 523 30 C 22 LEU . A 3 GLU . 1.0 0.0 2.0 524 30 C 22 LEU . A 31 LYS . 1.0 0.0 2.0 525 30 C 22 LEU . B 13 GLU . 1.0 0.0 2.0 526 30 C 22 LEU . A 22 LYS . 1.0 0.0 2.0 527 30 C 22 LEU . A 26 HIS . 1.0 0.0 2.0 528 30 C 22 LEU . B 30 GLN . 1.0 0.0 2.0 529 30 C 22 LEU . A 6 HIS . 1.0 0.0 2.0 530 30 C 22 LEU . A 39 ARG . 1.0 0.0 2.0 531 30 C 22 LEU . B 36 HIS . 1.0 0.0 2.0 532 30 C 22 LEU . B 32 LYS . 1.0 0.0 2.0 533 30 C 22 LEU . A 8 ASN . 1.0 0.0 2.0 534 30 C 22 LEU . B 45 ALA . 1.0 0.0 2.0 535 30 C 22 LEU . A 25 ARG . 1.0 0.0 2.0 536 30 C 22 LEU . A 18 VAL . 1.0 0.0 2.0 stop_ save_ save_CNS/XPLOR_dihedral_7 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_7 _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 B 16 HIS C B 17 ILE N B 17 ILE CA B 17 ILE C 1.0 -166.0 -104.0 PHI 2 2 B 17 ILE N B 17 ILE CA B 17 ILE C B 18 ASN N 1.0 120.0 170.0 PSI 3 3 B 17 ILE C B 18 ASN N B 18 ASN CA B 18 ASN C 1.0 -143.0 -87.0 PHI 4 4 B 18 ASN N B 18 ASN CA B 18 ASN C B 19 LEU N 1.0 103.0 153.0 PSI 5 5 B 18 ASN C B 19 LEU N B 19 LEU CA B 19 LEU C 1.0 -153.0 -103.0 PHI 6 6 B 19 LEU N B 19 LEU CA B 19 LEU C B 20 LYS N 1.0 123.0 173.0 PSI 7 7 B 19 LEU C B 20 LYS N B 20 LYS CA B 20 LYS C 1.0 -174.0 -74.0 PHI 8 8 B 20 LYS N B 20 LYS CA B 20 LYS C B 21 VAL N 1.0 112.0 170.0 PSI 9 9 B 20 LYS C B 21 VAL N B 21 VAL CA B 21 VAL C 1.0 -137.0 -77.0 PHI 10 10 B 21 VAL N B 21 VAL CA B 21 VAL C B 22 ALA N 1.0 95.0 145.0 PSI 11 11 B 21 VAL C B 22 ALA N B 22 ALA CA B 22 ALA C 1.0 -137.0 -83.0 PHI 12 12 B 22 ALA N B 22 ALA CA B 22 ALA C B 23 GLY N 1.0 91.0 173.0 PSI 13 13 B 27 SER C B 28 VAL N B 28 VAL CA B 28 VAL C 1.0 -151.0 -85.0 PHI 14 14 B 28 VAL N B 28 VAL CA B 28 VAL C B 29 VAL N 1.0 115.0 167.0 PSI 15 15 B 28 VAL C B 29 VAL N B 29 VAL CA B 29 VAL C 1.0 -153.0 -103.0 PHI 16 16 B 29 VAL N B 29 VAL CA B 29 VAL C B 30 GLN N 1.0 101.0 151.0 PSI 17 17 B 29 VAL C B 30 GLN N B 30 GLN CA B 30 GLN C 1.0 -167.0 -63.0 PHI 18 18 B 30 GLN N B 30 GLN CA B 30 GLN C B 31 PHE N 1.0 109.0 163.0 PSI 19 19 B 30 GLN C B 31 PHE N B 31 PHE CA B 31 PHE C 1.0 -166.0 -94.0 PHI 20 20 B 31 PHE N B 31 PHE CA B 31 PHE C B 32 LYS N 1.0 119.0 169.0 PSI 21 21 B 31 PHE C B 32 LYS N B 32 LYS CA B 32 LYS C 1.0 -144.0 -62.0 PHI 22 22 B 32 LYS N B 32 LYS CA B 32 LYS C B 33 ILE N 1.0 110.0 160.0 PSI 23 23 B 32 LYS C B 33 ILE N B 33 ILE CA B 33 ILE C 1.0 -164.0 -114.0 PHI 24 24 B 33 ILE N B 33 ILE CA B 33 ILE C B 34 LYS N 1.0 134.0 184.0 PSI 25 25 B 38 PRO C B 39 LEU N B 39 LEU CA B 39 LEU C 1.0 -79.0 -29.0 PHI 26 26 B 39 LEU N B 39 LEU CA B 39 LEU C B 40 SER N 1.0 -69.0 -19.0 PSI 27 27 B 39 LEU C B 40 SER N B 40 SER CA B 40 SER C 1.0 -87.0 -37.0 PHI 28 28 B 40 SER N B 40 SER CA B 40 SER C B 41 LYS N 1.0 -61.0 -11.0 PSI 29 29 B 40 SER C B 41 LYS N B 41 LYS CA B 41 LYS C 1.0 -90.0 -40.0 PHI 30 30 B 41 LYS N B 41 LYS CA B 41 LYS C B 42 LEU N 1.0 -63.0 -13.0 PSI 31 31 B 41 LYS C B 42 LEU N B 42 LEU CA B 42 LEU C 1.0 -89.0 -39.0 PHI 32 32 B 42 LEU N B 42 LEU CA B 42 LEU C B 43 MET N 1.0 -68.0 -18.0 PSI 33 33 B 42 LEU C B 43 MET N B 43 MET CA B 43 MET C 1.0 -85.0 -35.0 PHI 34 34 B 43 MET N B 43 MET CA B 43 MET C B 44 LYS N 1.0 -68.0 -18.0 PSI 35 35 B 43 MET C B 44 LYS N B 44 LYS CA B 44 LYS C 1.0 -87.0 -37.0 PHI 36 36 B 44 LYS N B 44 LYS CA B 44 LYS C B 45 ALA N 1.0 -68.0 -18.0 PSI 37 37 B 44 LYS C B 45 ALA N B 45 ALA CA B 45 ALA C 1.0 -91.0 -41.0 PHI 38 38 B 45 ALA N B 45 ALA CA B 45 ALA C B 46 TYR N 1.0 -61.0 -11.0 PSI 39 39 B 45 ALA C B 46 TYR N B 46 TYR CA B 46 TYR C 1.0 -90.0 -40.0 PHI 40 40 B 46 TYR N B 46 TYR CA B 46 TYR C B 47 CYS N 1.0 -70.0 -20.0 PSI 41 41 B 46 TYR C B 47 CYS N B 47 CYS CA B 47 CYS C 1.0 -84.0 -34.0 PHI 42 42 B 47 CYS N B 47 CYS CA B 47 CYS C B 48 GLU N 1.0 -69.0 -19.0 PSI 43 43 B 47 CYS C B 48 GLU N B 48 GLU CA B 48 GLU C 1.0 -86.0 -36.0 PHI 44 44 B 48 GLU N B 48 GLU CA B 48 GLU C B 49 ARG N 1.0 -67.0 -17.0 PSI 45 45 B 48 GLU C B 49 ARG N B 49 ARG CA B 49 ARG C 1.0 -89.0 -39.0 PHI 46 46 B 49 ARG N B 49 ARG CA B 49 ARG C B 50 GLN N 1.0 -56.0 -6.0 PSI 47 47 B 56 GLN C B 57 ILE N B 57 ILE CA B 57 ILE C 1.0 -160.0 -76.0 PHI 48 48 B 57 ILE N B 57 ILE CA B 57 ILE C B 58 ARG N 1.0 109.0 193.0 PSI 49 49 B 57 ILE C B 58 ARG N B 58 ARG CA B 58 ARG C 1.0 -172.0 -100.0 PHI 50 50 B 58 ARG N B 58 ARG CA B 58 ARG C B 59 PHE N 1.0 119.0 175.0 PSI 51 51 B 58 ARG C B 59 PHE N B 59 PHE CA B 59 PHE C 1.0 -138.0 -88.0 PHI 52 52 B 59 PHE N B 59 PHE CA B 59 PHE C B 60 ARG N 1.0 113.0 163.0 PSI 53 53 B 59 PHE C B 60 ARG N B 60 ARG CA B 60 ARG C 1.0 -154.0 -104.0 PHI 54 54 B 60 ARG N B 60 ARG CA B 60 ARG C B 61 PHE N 1.0 125.0 175.0 PSI 55 55 B 60 ARG C B 61 PHE N B 61 PHE CA B 61 PHE C 1.0 -166.0 -96.0 PHI 56 56 B 61 PHE N B 61 PHE CA B 61 PHE C B 62 ASP N 1.0 103.0 153.0 PSI 57 57 B 61 PHE C B 62 ASP N B 62 ASP CA B 62 ASP C 1.0 -115.0 -43.0 PHI 58 58 B 62 ASP N B 62 ASP CA B 62 ASP C B 63 GLY N 1.0 81.0 157.0 PSI 59 59 B 71 THR C B 72 PRO N B 72 PRO CA B 72 PRO C 1.0 -79.0 -29.0 PHI 60 60 B 72 PRO N B 72 PRO CA B 72 PRO C B 73 ALA N 1.0 -56.0 -6.0 PSI 61 61 B 72 PRO C B 73 ALA N B 73 ALA CA B 73 ALA C 1.0 -92.0 -42.0 PHI 62 62 B 73 ALA N B 73 ALA CA B 73 ALA C B 74 GLN N 1.0 -59.0 -9.0 PSI 63 63 B 73 ALA C B 74 GLN N B 74 GLN CA B 74 GLN C 1.0 -90.0 -40.0 PHI 64 64 B 74 GLN N B 74 GLN CA B 74 GLN C B 75 LEU N 1.0 -60.0 -10.0 PSI 65 65 B 81 ASP C B 82 THR N B 82 THR CA B 82 THR C 1.0 -154.0 -78.0 PHI 66 66 B 82 THR N B 82 THR CA B 82 THR C B 83 ILE N 1.0 108.0 158.0 PSI 67 67 B 82 THR C B 83 ILE N B 83 ILE CA B 83 ILE C 1.0 -153.0 -101.0 PHI 68 68 B 83 ILE N B 83 ILE CA B 83 ILE C B 84 ASP N 1.0 104.0 154.0 PSI 69 69 B 83 ILE C B 84 ASP N B 84 ASP CA B 84 ASP C 1.0 -161.0 -69.0 PHI 70 70 B 84 ASP N B 84 ASP CA B 84 ASP C B 85 VAL N 1.0 122.0 172.0 PSI 71 71 B 84 ASP C B 85 VAL N B 85 VAL CA B 85 VAL C 1.0 -148.0 -82.0 PHI 72 72 B 85 VAL N B 85 VAL CA B 85 VAL C B 86 PHE N 1.0 111.0 161.0 PSI 73 73 B 85 VAL C B 86 PHE N B 86 PHE CA B 86 PHE C 1.0 -166.0 -88.0 PHI 74 74 B 86 PHE N B 86 PHE CA B 86 PHE C B 87 GLN N 1.0 109.0 179.0 PSI 75 75 B 86 PHE C B 87 GLN N B 87 GLN CA B 87 GLN C 1.0 -144.0 -66.0 PHI 76 76 B 87 GLN N B 87 GLN CA B 87 GLN C B 88 GLN N 1.0 90.0 166.0 PSI 77 77 B 87 GLN C B 88 GLN N B 88 GLN CA B 88 GLN C 1.0 -158.0 -52.0 PHI 78 78 B 88 GLN N B 88 GLN CA B 88 GLN C B 89 GLN N 1.0 98.0 176.0 PSI 79 79 A 6 HIS C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -172.0 -96.0 PHI 80 80 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 ASN N 1.0 122.0 172.0 PSI 81 81 A 7 ILE C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -146.0 -86.0 PHI 82 82 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 LEU N 1.0 106.0 156.0 PSI 83 83 A 8 ASN C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -153.0 -103.0 PHI 84 84 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 LYS N 1.0 125.0 175.0 PSI 85 85 A 9 LEU C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -168.0 -66.0 PHI 86 86 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 VAL N 1.0 114.0 172.0 PSI 87 87 A 10 LYS C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -143.0 -73.0 PHI 88 88 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 ALA N 1.0 97.0 149.0 PSI 89 89 A 11 VAL C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -135.0 -83.0 PHI 90 90 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 GLY N 1.0 95.0 173.0 PSI 91 91 A 17 SER C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -147.0 -95.0 PHI 92 92 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 VAL N 1.0 115.0 165.0 PSI 93 93 A 18 VAL C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -151.0 -101.0 PHI 94 94 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 GLN N 1.0 101.0 151.0 PSI 95 95 A 19 VAL C A 20 GLN N A 20 GLN CA A 20 GLN C 1.0 -168.0 -76.0 PHI 96 96 A 20 GLN N A 20 GLN CA A 20 GLN C A 21 PHE N 1.0 109.0 167.0 PSI 97 97 A 20 GLN C A 21 PHE N A 21 PHE CA A 21 PHE C 1.0 -159.0 -109.0 PHI 98 98 A 21 PHE N A 21 PHE CA A 21 PHE C A 22 LYS N 1.0 115.0 167.0 PSI 99 99 A 21 PHE C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -144.0 -62.0 PHI 100 100 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 ILE N 1.0 110.0 160.0 PSI 101 101 A 22 LYS C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -163.0 -113.0 PHI 102 102 A 23 ILE N A 23 ILE CA A 23 ILE C A 24 LYS N 1.0 131.0 181.0 PSI 103 103 A 28 PRO C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -84.0 -34.0 PHI 104 104 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 SER N 1.0 -68.0 -18.0 PSI 105 105 A 29 LEU C A 30 SER N A 30 SER CA A 30 SER C 1.0 -86.0 -36.0 PHI 106 106 A 30 SER N A 30 SER CA A 30 SER C A 31 LYS N 1.0 -67.0 -17.0 PSI 107 107 A 30 SER C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -90.0 -40.0 PHI 108 108 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 LEU N 1.0 -63.0 -13.0 PSI 109 109 A 31 LYS C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -90.0 -40.0 PHI 110 110 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 MET N 1.0 -69.0 -19.0 PSI 111 111 A 32 LEU C A 33 MET N A 33 MET CA A 33 MET C 1.0 -84.0 -34.0 PHI 112 112 A 33 MET N A 33 MET CA A 33 MET C A 34 LYS N 1.0 -68.0 -18.0 PSI 113 113 A 33 MET C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -88.0 -38.0 PHI 114 114 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 ALA N 1.0 -69.0 -19.0 PSI 115 115 A 34 LYS C A 35 ALA N A 35 ALA CA A 35 ALA C 1.0 -90.0 -40.0 PHI 116 116 A 35 ALA N A 35 ALA CA A 35 ALA C A 36 TYR N 1.0 -62.0 -12.0 PSI 117 117 A 35 ALA C A 36 TYR N A 36 TYR CA A 36 TYR C 1.0 -91.0 -41.0 PHI 118 118 A 36 TYR N A 36 TYR CA A 36 TYR C A 37 CYS N 1.0 -70.0 -20.0 PSI 119 119 A 36 TYR C A 37 CYS N A 37 CYS CA A 37 CYS C 1.0 -85.0 -35.0 PHI 120 120 A 37 CYS N A 37 CYS CA A 37 CYS C A 38 GLU N 1.0 -69.0 -19.0 PSI 121 121 A 37 CYS C A 38 GLU N A 38 GLU CA A 38 GLU C 1.0 -86.0 -36.0 PHI 122 122 A 38 GLU N A 38 GLU CA A 38 GLU C A 39 ARG N 1.0 -67.0 -17.0 PSI 123 123 A 38 GLU C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -87.0 -37.0 PHI 124 124 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 GLN N 1.0 -60.0 -10.0 PSI 125 125 A 46 GLN C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -160.0 -76.0 PHI 126 126 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 ARG N 1.0 109.0 193.0 PSI 127 127 A 47 ILE C A 48 ARG N A 48 ARG CA A 48 ARG C 1.0 -172.0 -100.0 PHI 128 128 A 48 ARG N A 48 ARG CA A 48 ARG C A 49 PHE N 1.0 119.0 175.0 PSI 129 129 A 48 ARG C A 49 PHE N A 49 PHE CA A 49 PHE C 1.0 -138.0 -88.0 PHI 130 130 A 49 PHE N A 49 PHE CA A 49 PHE C A 50 ARG N 1.0 113.0 163.0 PSI 131 131 A 49 PHE C A 50 ARG N A 50 ARG CA A 50 ARG C 1.0 -155.0 -105.0 PHI 132 132 A 50 ARG N A 50 ARG CA A 50 ARG C A 51 PHE N 1.0 125.0 175.0 PSI 133 133 A 50 ARG C A 51 PHE N A 51 PHE CA A 51 PHE C 1.0 -160.0 -96.0 PHI 134 134 A 51 PHE N A 51 PHE CA A 51 PHE C A 52 ASP N 1.0 100.0 150.0 PSI 135 135 A 51 PHE C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -120.0 -46.0 PHI 136 136 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 GLY N 1.0 67.0 167.0 PSI 137 137 A 61 THR C A 62 PRO N A 62 PRO CA A 62 PRO C 1.0 -79.0 -29.0 PHI 138 138 A 62 PRO N A 62 PRO CA A 62 PRO C A 63 ALA N 1.0 -56.0 -6.0 PSI 139 139 A 62 PRO C A 63 ALA N A 63 ALA CA A 63 ALA C 1.0 -92.0 -42.0 PHI 140 140 A 63 ALA N A 63 ALA CA A 63 ALA C A 64 GLN N 1.0 -59.0 -9.0 PSI 141 141 A 63 ALA C A 64 GLN N A 64 GLN CA A 64 GLN C 1.0 -90.0 -40.0 PHI 142 142 A 64 GLN N A 64 GLN CA A 64 GLN C A 65 LEU N 1.0 -60.0 -10.0 PSI 143 143 A 71 ASP C A 72 THR N A 72 THR CA A 72 THR C 1.0 -155.0 -75.0 PHI 144 144 A 72 THR N A 72 THR CA A 72 THR C A 73 ILE N 1.0 111.0 161.0 PSI 145 145 A 72 THR C A 73 ILE N A 73 ILE CA A 73 ILE C 1.0 -155.0 -101.0 PHI 146 146 A 73 ILE N A 73 ILE CA A 73 ILE C A 74 ASP N 1.0 106.0 156.0 PSI 147 147 A 73 ILE C A 74 ASP N A 74 ASP CA A 74 ASP C 1.0 -154.0 -70.0 PHI 148 148 A 74 ASP N A 74 ASP CA A 74 ASP C A 75 VAL N 1.0 121.0 171.0 PSI 149 149 A 74 ASP C A 75 VAL N A 75 VAL CA A 75 VAL C 1.0 -154.0 -82.0 PHI 150 150 A 75 VAL N A 75 VAL CA A 75 VAL C A 76 PHE N 1.0 109.0 159.0 PSI 151 151 A 75 VAL C A 76 PHE N A 76 PHE CA A 76 PHE C 1.0 -165.0 -89.0 PHI 152 152 A 76 PHE N A 76 PHE CA A 76 PHE C A 77 GLN N 1.0 123.0 173.0 PSI 153 153 A 76 PHE C A 77 GLN N A 77 GLN CA A 77 GLN C 1.0 -143.0 -63.0 PHI 154 154 A 77 GLN N A 77 GLN CA A 77 GLN C A 78 GLN N 1.0 101.0 163.0 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_8 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_8 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 3 GLU N A 3 GLU H 1.0 . . . 2 2 A 5 ASP N A 5 ASP H 1.0 . . . 3 3 A 6 HIS N A 6 HIS H 1.0 . . . 4 4 A 7 ILE N A 7 ILE H 1.0 . . . 5 5 A 8 ASN N A 8 ASN H 1.0 . . . 6 6 A 9 LEU N A 9 LEU H 1.0 . . . 7 7 A 10 LYS N A 10 LYS H 1.0 . . . 8 8 A 11 VAL N A 11 VAL H 1.0 . . . 9 9 A 12 ALA N A 12 ALA H 1.0 . . . 10 10 A 13 GLY N A 13 GLY H 1.0 . . . 11 11 A 15 ASP N A 15 ASP H 1.0 . . . 12 12 A 16 GLY N A 16 GLY H 1.0 . . . 13 13 A 17 SER N A 17 SER H 1.0 . . . 14 14 A 18 VAL N A 18 VAL H 1.0 . . . 15 15 A 19 VAL N A 19 VAL H 1.0 . . . 16 16 A 20 GLN N A 20 GLN H 1.0 . . . 17 17 A 21 PHE N A 21 PHE H 1.0 . . . 18 18 A 23 ILE N A 23 ILE H 1.0 . . . 19 19 A 24 LYS N A 24 LYS H 1.0 . . . 20 20 A 25 ARG N A 25 ARG H 1.0 . . . 21 21 A 27 THR N A 27 THR H 1.0 . . . 22 22 A 29 LEU N A 29 LEU H 1.0 . . . 23 23 A 30 SER N A 30 SER H 1.0 . . . 24 24 A 31 LYS N A 31 LYS H 1.0 . . . 25 25 A 32 LEU N A 32 LEU H 1.0 . . . 26 26 A 33 MET N A 33 MET H 1.0 . . . 27 27 A 34 LYS N A 34 LYS H 1.0 . . . 28 28 A 35 ALA N A 35 ALA H 1.0 . . . 29 29 A 36 TYR N A 36 TYR H 1.0 . . . 30 30 A 37 CYS N A 37 CYS H 1.0 . . . 31 31 A 38 GLU N A 38 GLU H 1.0 . . . 32 32 A 39 ARG N A 39 ARG H 1.0 . . . 33 33 A 40 GLN N A 40 GLN H 1.0 . . . 34 34 A 41 GLY N A 41 GLY H 1.0 . . . 35 35 A 42 LEU N A 42 LEU H 1.0 . . . 36 36 A 43 SER N A 43 SER H 1.0 . . . 37 37 A 45 ARG N A 45 ARG H 1.0 . . . 38 38 A 46 GLN N A 46 GLN H 1.0 . . . 39 39 A 47 ILE N A 47 ILE H 1.0 . . . 40 40 A 48 ARG N A 48 ARG H 1.0 . . . 41 41 A 49 PHE N A 49 PHE H 1.0 . . . 42 42 A 50 ARG N A 50 ARG H 1.0 . . . 43 43 A 51 PHE N A 51 PHE H 1.0 . . . 44 44 A 52 ASP N A 52 ASP H 1.0 . . . 45 45 A 53 GLY N A 53 GLY H 1.0 . . . 46 46 A 54 GLN N A 54 GLN H 1.0 . . . 47 47 A 56 ILE N A 56 ILE H 1.0 . . . 48 48 A 57 ASN N A 57 ASN H 1.0 . . . 49 49 A 59 THR N A 59 THR H 1.0 . . . 50 50 A 60 ASP N A 60 ASP H 1.0 . . . 51 51 A 61 THR N A 61 THR H 1.0 . . . 52 52 A 63 ALA N A 63 ALA H 1.0 . . . 53 53 A 64 GLN N A 64 GLN H 1.0 . . . 54 54 A 65 LEU N A 65 LEU H 1.0 . . . 55 55 A 66 GLU N A 66 GLU H 1.0 . . . 56 56 A 67 MET N A 67 MET H 1.0 . . . 57 57 A 68 GLU N A 68 GLU H 1.0 . . . 58 58 A 69 ASP N A 69 ASP H 1.0 . . . 59 59 A 70 GLU N A 70 GLU H 1.0 . . . 60 60 A 71 ASP N A 71 ASP H 1.0 . . . 61 61 A 72 THR N A 72 THR H 1.0 . . . 62 62 A 73 ILE N A 73 ILE H 1.0 . . . 63 63 A 74 ASP N A 74 ASP H 1.0 . . . 64 64 A 75 VAL N A 75 VAL H 1.0 . . . 65 65 A 76 PHE N A 76 PHE H 1.0 . . . 66 66 A 77 GLN N A 77 GLN H 1.0 . . . 67 67 A 78 GLN N A 78 GLN H 1.0 . . . 68 68 A 82 GLY N A 82 GLY H 1.0 . . . 69 69 B 3 GLU N B 3 GLU H 1.0 . . . 70 70 B 4 GLU N B 4 GLU H 1.0 . . . 71 71 B 5 LYS N B 5 LYS H 1.0 . . . 72 72 B 7 LYS N B 7 LYS H 1.0 . . . 73 73 B 8 GLU N B 8 GLU H 1.0 . . . 74 74 B 9 GLY N B 9 GLY H 1.0 . . . 75 75 B 10 VAL N B 10 VAL H 1.0 . . . 76 76 B 11 LYS N B 11 LYS H 1.0 . . . 77 77 B 12 THR N B 12 THR H 1.0 . . . 78 78 B 13 GLU N B 13 GLU H 1.0 . . . 79 79 B 14 ASN N B 14 ASN H 1.0 . . . 80 80 B 16 HIS N B 16 HIS H 1.0 . . . 81 81 B 18 ASN N B 18 ASN H 1.0 . . . 82 82 B 19 LEU N B 19 LEU H 1.0 . . . 83 83 B 20 LYS N B 20 LYS H 1.0 . . . 84 84 B 21 VAL N B 21 VAL H 1.0 . . . 85 85 B 22 ALA N B 22 ALA H 1.0 . . . 86 86 B 23 GLY N B 23 GLY H 1.0 . . . 87 87 B 25 ASP N B 25 ASP H 1.0 . . . 88 88 B 26 GLY N B 26 GLY H 1.0 . . . 89 89 B 27 SER N B 27 SER H 1.0 . . . 90 90 B 28 VAL N B 28 VAL H 1.0 . . . 91 91 B 29 VAL N B 29 VAL H 1.0 . . . 92 92 B 33 ILE N B 33 ILE H 1.0 . . . 93 93 B 35 ARG N B 35 ARG H 1.0 . . . 94 94 B 37 THR N B 37 THR H 1.0 . . . 95 95 B 39 LEU N B 39 LEU H 1.0 . . . 96 96 B 40 SER N B 40 SER H 1.0 . . . 97 97 B 41 LYS N B 41 LYS H 1.0 . . . 98 98 B 42 LEU N B 42 LEU H 1.0 . . . 99 99 B 43 MET N B 43 MET H 1.0 . . . 100 100 B 44 LYS N B 44 LYS H 1.0 . . . 101 101 B 45 ALA N B 45 ALA H 1.0 . . . 102 102 B 46 TYR N B 46 TYR H 1.0 . . . 103 103 B 47 CYS N B 47 CYS H 1.0 . . . 104 104 B 48 GLU N B 48 GLU H 1.0 . . . 105 105 B 50 GLN N B 50 GLN H 1.0 . . . 106 106 B 51 GLY N B 51 GLY H 1.0 . . . 107 107 B 52 LEU N B 52 LEU H 1.0 . . . 108 108 B 53 SER N B 53 SER H 1.0 . . . 109 109 B 55 ARG N B 55 ARG H 1.0 . . . 110 110 B 56 GLN N B 56 GLN H 1.0 . . . 111 111 B 57 ILE N B 57 ILE H 1.0 . . . 112 112 B 58 ARG N B 58 ARG H 1.0 . . . 113 113 B 59 PHE N B 59 PHE H 1.0 . . . 114 114 B 60 ARG N B 60 ARG H 1.0 . . . 115 115 B 61 PHE N B 61 PHE H 1.0 . . . 116 116 B 62 ASP N B 62 ASP H 1.0 . . . 117 117 B 63 GLY N B 63 GLY H 1.0 . . . 118 118 B 64 GLN N B 64 GLN H 1.0 . . . 119 119 B 66 ILE N B 66 ILE H 1.0 . . . 120 120 B 67 ASN N B 67 ASN H 1.0 . . . 121 121 B 68 GLU N B 68 GLU H 1.0 . . . 122 122 B 69 THR N B 69 THR H 1.0 . . . 123 123 B 70 ASP N B 70 ASP H 1.0 . . . 124 124 B 71 THR N B 71 THR H 1.0 . . . 125 125 B 73 ALA N B 73 ALA H 1.0 . . . 126 126 B 74 GLN N B 74 GLN H 1.0 . . . 127 127 B 75 LEU N B 75 LEU H 1.0 . . . 128 128 B 76 GLU N B 76 GLU H 1.0 . . . 129 129 B 77 MET N B 77 MET H 1.0 . . . 130 130 B 78 GLU N B 78 GLU H 1.0 . . . 131 131 B 79 ASP N B 79 ASP H 1.0 . . . 132 132 B 80 GLU N B 80 GLU H 1.0 . . . 133 133 B 81 ASP N B 81 ASP H 1.0 . . . 134 134 B 82 THR N B 82 THR H 1.0 . . . 135 135 B 83 ILE N B 83 ILE H 1.0 . . . 136 136 B 84 ASP N B 84 ASP H 1.0 . . . 137 137 B 85 VAL N B 85 VAL H 1.0 . . . 138 138 B 86 PHE N B 86 PHE H 1.0 . . . 139 139 B 87 GLN N B 87 GLN H 1.0 . . . 140 140 B 88 GLN N B 88 GLN H 1.0 . . . 141 141 B 90 THR N B 90 THR H 1.0 . . . stop_ save_