data_nef_c16882_2khu save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLN middle . . 3 A 3 TYR middle . . 4 A 4 LYS middle . . 5 A 5 LEU middle . . 6 A 6 ILE middle . . 7 A 7 LEU middle . . 8 A 8 ASN middle . . 9 A 9 GLY middle . false 10 A 10 LYS middle . . 11 A 11 THR middle . . 12 A 12 LEU middle . . 13 A 13 LYS middle . . 14 A 14 GLY middle . false 15 A 15 GLU middle . . 16 A 16 THR middle . . 17 A 17 THR middle . . 18 A 18 THR middle . . 19 A 19 GLU middle . . 20 A 20 ALA middle . . 21 A 21 VAL middle . . 22 A 22 ASP middle . . 23 A 23 ALA middle . . 24 A 24 ALA middle . . 25 A 25 THR middle . . 26 A 26 ALA middle . . 27 A 27 GLU middle . . 28 A 28 LYS middle . . 29 A 29 VAL middle . . 30 A 30 PHE middle . . 31 A 31 LYS middle . . 32 A 32 GLN middle . . 33 A 33 TYR middle . . 34 A 34 ALA middle . . 35 A 35 ASN middle . . 36 A 36 ASP middle . . 37 A 37 ASN middle . . 38 A 38 GLY middle . false 39 A 39 VAL middle . . 40 A 40 ASP middle . . 41 A 41 GLY middle . false 42 A 42 GLU middle . . 43 A 43 TRP middle . . 44 A 44 THR middle . . 45 A 45 TYR middle . . 46 A 46 ASP middle . . 47 A 47 ASP middle . . 48 A 48 ALA middle . . 49 A 49 THR middle . . 50 A 50 LYS middle . . 51 A 51 THR middle . . 52 A 52 PHE middle . . 53 A 53 THR middle . . 54 A 54 VAL middle . . 55 A 55 THR middle . . 56 A 56 GLU middle . . 57 A 57 GLY middle . false 58 A 58 SER middle . . 59 A 59 ASP middle . . 60 A 60 GLU middle . . 61 A 61 LYS middle . . 62 A 62 ILE middle . . 63 A 63 THR middle . . 64 A 64 PHE middle . . 65 A 65 PRO middle . false 66 A 66 SER middle . . 67 A 67 ASP middle . . 68 A 68 ILE middle . . 69 A 69 ASP middle . . 70 A 70 PRO middle . false 71 A 71 GLN middle . . 72 A 72 VAL middle . . 73 A 73 PHE middle . . 74 A 74 TYR middle . . 75 A 75 GLU middle . . 76 A 76 LEU middle . . 77 A 77 PRO middle . false 78 A 78 GLU middle . . 79 A 79 ALA middle . . 80 A 80 VAL middle . . 81 A 81 GLN middle . . 82 A 82 LYS middle . . 83 A 83 GLU middle . . 84 A 84 LEU middle . . 85 A 85 LEU middle . . 86 A 86 ALA middle . . 87 A 87 GLU middle . . 88 A 88 TRP middle . . 89 A 89 LYS middle . . 90 A 90 ARG middle . . 91 A 91 THR middle . . 92 A 92 GLY middle . false 93 A 93 SER middle . . 94 A 94 ASP middle . . 95 A 95 PHE middle . . 96 A 96 HIS middle . . 97 A 97 ILE middle . . 98 A 98 GLY middle . false 99 A 99 HIS middle . . 100 A 100 LYS middle . . 101 A 101 LEU middle . . 102 A 102 GLU middle . . 103 A 103 HIS middle . . 104 A 104 HIS middle . . 105 A 105 HIS middle . . 106 A 106 HIS middle . . 107 A 107 HIS middle . . 108 A 108 HIS 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 1 MET HA H 1 4.196 0.020 A 1 MET C C 13 171.003 0.400 A 1 MET CA C 13 54.568 0.400 A 2 GLN H H 1 8.377 0.020 A 2 GLN HA H 1 4.982 0.020 A 2 GLN HB2 H 1 2.027 0.020 A 2 GLN HB3 H 1 2.027 0.020 A 2 GLN HGx H 1 2.146 0.020 A 2 GLN HGy H 1 2.383 0.020 A 2 GLN C C 13 174.899 0.400 A 2 GLN CA C 13 55.839 0.400 A 2 GLN CB C 13 30.477 0.400 A 2 GLN CG C 13 35.092 0.400 A 2 GLN N N 15 123.519 0.400 A 3 TYR H H 1 9.116 0.020 A 3 TYR HA H 1 5.370 0.020 A 3 TYR HBx H 1 2.753 0.020 A 3 TYR HBy H 1 3.421 0.020 A 3 TYR HD1 H 1 7.157 0.020 A 3 TYR HD2 H 1 7.157 0.020 A 3 TYR HE1 H 1 6.937 0.020 A 3 TYR HE2 H 1 6.937 0.020 A 3 TYR C C 13 174.814 0.400 A 3 TYR CA C 13 57.122 0.400 A 3 TYR CB C 13 43.393 0.400 A 3 TYR CD1 C 13 133.407 0.400 A 3 TYR CE1 C 13 117.754 0.400 A 3 TYR N N 15 124.683 0.400 A 4 LYS H H 1 9.111 0.020 A 4 LYS HA H 1 5.236 0.020 A 4 LYS HBx H 1 1.905 0.020 A 4 LYS HBy H 1 2.044 0.020 A 4 LYS HD2 H 1 1.642 0.020 A 4 LYS HD3 H 1 1.642 0.020 A 4 LYS HEx H 1 2.787 0.020 A 4 LYS HEy H 1 2.870 0.020 A 4 LYS HGx H 1 1.368 0.020 A 4 LYS HGy H 1 1.491 0.020 A 4 LYS C C 13 172.831 0.400 A 4 LYS CA C 13 55.058 0.400 A 4 LYS CB C 13 35.897 0.400 A 4 LYS CD C 13 28.923 0.400 A 4 LYS CE C 13 41.875 0.400 A 4 LYS CG C 13 25.556 0.400 A 4 LYS N N 15 122.340 0.400 A 5 LEU H H 1 8.627 0.020 A 5 LEU HA H 1 4.962 0.020 A 5 LEU HBy H 1 0.745 0.020 A 5 LEU HBx H 1 -1.115 0.020 A 5 LEU HDx% H 1 0.561 0.020 A 5 LEU HDy% H 1 0.593 0.020 A 5 LEU HG H 1 0.887 0.020 A 5 LEU C C 13 174.630 0.400 A 5 LEU CA C 13 52.452 0.400 A 5 LEU CB C 13 42.640 0.400 A 5 LEU CD1 C 13 24.472 0.400 A 5 LEU CD2 C 13 25.722 0.400 A 5 LEU CG C 13 27.019 0.400 A 5 LEU N N 15 126.380 0.400 A 6 ILE H H 1 9.098 0.020 A 6 ILE HA H 1 4.333 0.020 A 6 ILE HB H 1 1.960 0.020 A 6 ILE HD1% H 1 0.795 0.020 A 6 ILE HG1x H 1 1.110 0.020 A 6 ILE HG1y H 1 1.426 0.020 A 6 ILE HG2% H 1 0.809 0.020 A 6 ILE C C 13 174.701 0.400 A 6 ILE CA C 13 60.234 0.400 A 6 ILE CB C 13 37.965 0.400 A 6 ILE CD1 C 13 12.500 0.400 A 6 ILE CG1 C 13 27.369 0.400 A 6 ILE CG2 C 13 16.976 0.400 A 6 ILE N N 15 126.147 0.400 A 7 LEU H H 1 8.721 0.020 A 7 LEU HA H 1 4.483 0.020 A 7 LEU HBx H 1 1.373 0.020 A 7 LEU HBy H 1 1.426 0.020 A 7 LEU HD1% H 1 0.782 0.020 A 7 LEU HD2% H 1 0.782 0.020 A 7 LEU HG H 1 1.292 0.020 A 7 LEU C C 13 174.906 0.400 A 7 LEU CA C 13 54.288 0.400 A 7 LEU CB C 13 42.134 0.400 A 7 LEU CD1 C 13 25.801 0.400 A 7 LEU CG C 13 27.585 0.400 A 7 LEU N N 15 125.662 0.400 A 8 ASN H H 1 8.860 0.020 A 8 ASN HA H 1 5.250 0.020 A 8 ASN HBx H 1 2.534 0.020 A 8 ASN HBy H 1 2.984 0.020 A 8 ASN C C 13 175.466 0.400 A 8 ASN CA C 13 50.897 0.400 A 8 ASN CB C 13 37.948 0.400 A 8 ASN N N 15 125.662 0.400 A 9 GLY H H 1 7.959 0.020 A 9 GLY HAy H 1 4.459 0.020 A 9 GLY HAx H 1 4.042 0.020 A 9 GLY C C 13 173.390 0.400 A 9 GLY CA C 13 44.673 0.400 A 9 GLY N N 15 109.936 0.400 A 10 LYS H H 1 9.330 0.020 A 10 LYS HA H 1 4.062 0.020 A 10 LYS HB2 H 1 1.823 0.020 A 10 LYS HB3 H 1 1.823 0.020 A 10 LYS HD2 H 1 1.722 0.020 A 10 LYS HD3 H 1 1.722 0.020 A 10 LYS HE2 H 1 2.978 0.020 A 10 LYS HE3 H 1 2.978 0.020 A 10 LYS HG2 H 1 1.471 0.020 A 10 LYS HG3 H 1 1.471 0.020 A 10 LYS C C 13 178.775 0.400 A 10 LYS CA C 13 59.230 0.400 A 10 LYS CB C 13 32.291 0.400 A 10 LYS CD C 13 29.182 0.400 A 10 LYS CE C 13 41.875 0.400 A 10 LYS CG C 13 25.297 0.400 A 10 LYS N N 15 121.386 0.400 A 11 THR H H 1 8.832 0.020 A 11 THR HA H 1 4.393 0.020 A 11 THR HB H 1 4.233 0.020 A 11 THR HG2% H 1 1.152 0.020 A 11 THR C C 13 173.858 0.400 A 11 THR CA C 13 61.700 0.400 A 11 THR CB C 13 69.592 0.400 A 11 THR CG2 C 13 21.905 0.400 A 11 THR N N 15 108.541 0.400 A 12 LEU H H 1 7.331 0.020 A 12 LEU HA H 1 4.452 0.020 A 12 LEU HBx H 1 1.423 0.020 A 12 LEU HBy H 1 1.529 0.020 A 12 LEU HDx% H 1 0.904 0.020 A 12 LEU HDy% H 1 0.814 0.020 A 12 LEU HG H 1 1.425 0.020 A 12 LEU C C 13 173.369 0.400 A 12 LEU CA C 13 55.086 0.400 A 12 LEU CB C 13 43.429 0.400 A 12 LEU CD1 C 13 24.261 0.400 A 12 LEU CD2 C 13 25.556 0.400 A 12 LEU CG C 13 27.628 0.400 A 12 LEU N N 15 125.183 0.400 A 13 LYS H H 1 8.131 0.020 A 13 LYS HA H 1 5.142 0.020 A 13 LYS HBx H 1 1.750 0.020 A 13 LYS HBy H 1 1.916 0.020 A 13 LYS HDx H 1 1.690 0.020 A 13 LYS HDy H 1 1.774 0.020 A 13 LYS HEx H 1 2.933 0.020 A 13 LYS HEy H 1 3.020 0.020 A 13 LYS HG2 H 1 1.472 0.020 A 13 LYS HG3 H 1 1.472 0.020 A 13 LYS C C 13 176.387 0.400 A 13 LYS CA C 13 53.791 0.400 A 13 LYS CB C 13 34.857 0.400 A 13 LYS CD C 13 29.158 0.400 A 13 LYS CE C 13 42.393 0.400 A 13 LYS CG C 13 25.273 0.400 A 13 LYS N N 15 123.936 0.400 A 14 GLY H H 1 8.432 0.020 A 14 GLY HAy H 1 4.295 0.020 A 14 GLY HAx H 1 4.166 0.020 A 14 GLY C C 13 171.307 0.400 A 14 GLY CA C 13 44.983 0.400 A 14 GLY N N 15 109.448 0.400 A 15 GLU H H 1 8.407 0.020 A 15 GLU HA H 1 5.615 0.020 A 15 GLU HBx H 1 1.937 0.020 A 15 GLU HBy H 1 2.039 0.020 A 15 GLU HG2 H 1 2.152 0.020 A 15 GLU HG3 H 1 2.152 0.020 A 15 GLU C C 13 175.310 0.400 A 15 GLU CA C 13 54.544 0.400 A 15 GLU CB C 13 33.821 0.400 A 15 GLU CG C 13 35.903 0.400 A 15 GLU N N 15 118.684 0.400 A 16 THR H H 1 8.777 0.020 A 16 THR HA H 1 4.743 0.020 A 16 THR HB H 1 3.905 0.020 A 16 THR HG2% H 1 0.403 0.020 A 16 THR C C 13 172.030 0.400 A 16 THR CA C 13 60.500 0.400 A 16 THR CB C 13 69.260 0.400 A 16 THR CG2 C 13 19.003 0.400 A 16 THR N N 15 115.913 0.400 A 17 THR H H 1 8.086 0.020 A 17 THR HA H 1 5.819 0.020 A 17 THR HB H 1 4.311 0.020 A 17 THR HG2% H 1 1.196 0.020 A 17 THR C C 13 174.092 0.400 A 17 THR CA C 13 59.719 0.400 A 17 THR CB C 13 73.126 0.400 A 17 THR CG2 C 13 21.320 0.400 A 17 THR N N 15 111.876 0.400 A 18 THR H H 1 8.992 0.020 A 18 THR HA H 1 4.670 0.020 A 18 THR HB H 1 3.855 0.020 A 18 THR HG2% H 1 0.489 0.020 A 18 THR C C 13 170.655 0.400 A 18 THR CA C 13 62.339 0.400 A 18 THR CB C 13 69.779 0.400 A 18 THR CG2 C 13 19.080 0.400 A 18 THR N N 15 114.685 0.400 A 19 GLU H H 1 7.959 0.020 A 19 GLU HA H 1 5.181 0.020 A 19 GLU HB2 H 1 1.950 0.020 A 19 GLU HB3 H 1 1.950 0.020 A 19 GLU HGx H 1 2.064 0.020 A 19 GLU HGy H 1 2.279 0.020 A 19 GLU C C 13 175.835 0.400 A 19 GLU CA C 13 54.295 0.400 A 19 GLU CB C 13 30.218 0.400 A 19 GLU CG C 13 35.658 0.400 A 19 GLU N N 15 126.141 0.400 A 20 ALA H H 1 9.340 0.020 A 20 ALA HA H 1 4.953 0.020 A 20 ALA HB% H 1 1.335 0.020 A 20 ALA C C 13 177.606 0.400 A 20 ALA CA C 13 50.682 0.400 A 20 ALA CB C 13 23.670 0.400 A 20 ALA N N 15 127.324 0.400 A 21 VAL H H 1 8.500 0.020 A 21 VAL HA H 1 4.115 0.020 A 21 VAL HB H 1 2.201 0.020 A 21 VAL HGx% H 1 1.016 0.020 A 21 VAL HGy% H 1 1.001 0.020 A 21 VAL C C 13 175.041 0.400 A 21 VAL CA C 13 63.361 0.400 A 21 VAL CB C 13 31.773 0.400 A 21 VAL CG1 C 13 20.634 0.400 A 21 VAL CG2 C 13 19.857 0.400 A 21 VAL N N 15 115.671 0.400 A 22 ASP H H 1 7.340 0.020 A 22 ASP HA H 1 4.775 0.020 A 22 ASP HBx H 1 2.982 0.020 A 22 ASP HBy H 1 3.055 0.020 A 22 ASP C C 13 174.744 0.400 A 22 ASP CA C 13 52.495 0.400 A 22 ASP CB C 13 41.875 0.400 A 22 ASP N N 15 115.185 0.400 A 23 ALA H H 1 8.303 0.020 A 23 ALA HA H 1 3.330 0.020 A 23 ALA HB% H 1 1.192 0.020 A 23 ALA C C 13 179.193 0.400 A 23 ALA CA C 13 54.544 0.400 A 23 ALA CB C 13 17.200 0.400 A 23 ALA N N 15 121.393 0.400 A 24 ALA H H 1 8.061 0.020 A 24 ALA HA H 1 3.971 0.020 A 24 ALA HB% H 1 1.290 0.020 A 24 ALA C C 13 180.907 0.400 A 24 ALA CA C 13 54.532 0.400 A 24 ALA CB C 13 17.785 0.400 A 24 ALA N N 15 120.470 0.400 A 25 THR H H 1 8.288 0.020 A 25 THR HA H 1 3.712 0.020 A 25 THR HB H 1 4.019 0.020 A 25 THR HG2% H 1 1.250 0.020 A 25 THR C C 13 176.082 0.400 A 25 THR CA C 13 66.701 0.400 A 25 THR CB C 13 67.701 0.400 A 25 THR CG2 C 13 21.152 0.400 A 25 THR N N 15 116.392 0.400 A 26 ALA H H 1 7.162 0.020 A 26 ALA HA H 1 3.082 0.020 A 26 ALA HB% H 1 0.537 0.020 A 26 ALA C C 13 177.074 0.400 A 26 ALA CA C 13 54.784 0.400 A 26 ALA CB C 13 17.478 0.400 A 26 ALA N N 15 123.683 0.400 A 27 GLU H H 1 8.339 0.020 A 27 GLU HA H 1 2.638 0.020 A 27 GLU HBx H 1 1.850 0.020 A 27 GLU HBy H 1 1.970 0.020 A 27 GLU HG2 H 1 1.629 0.020 A 27 GLU HG3 H 1 1.629 0.020 A 27 GLU C C 13 177.294 0.400 A 27 GLU CA C 13 59.453 0.400 A 27 GLU CB C 13 29.139 0.400 A 27 GLU CG C 13 35.917 0.400 A 27 GLU N N 15 116.630 0.400 A 28 LYS H H 1 6.955 0.020 A 28 LYS HA H 1 3.719 0.020 A 28 LYS HB2 H 1 1.847 0.020 A 28 LYS HB3 H 1 1.847 0.020 A 28 LYS HD2 H 1 1.622 0.020 A 28 LYS HD3 H 1 1.622 0.020 A 28 LYS HE2 H 1 2.906 0.020 A 28 LYS HE3 H 1 2.906 0.020 A 28 LYS HGx H 1 1.339 0.020 A 28 LYS HGy H 1 1.547 0.020 A 28 LYS C C 13 179.972 0.400 A 28 LYS CA C 13 59.471 0.400 A 28 LYS CB C 13 32.291 0.400 A 28 LYS CD C 13 29.164 0.400 A 28 LYS CE C 13 41.875 0.400 A 28 LYS CG C 13 25.026 0.400 A 28 LYS N N 15 116.633 0.400 A 29 VAL H H 1 7.329 0.020 A 29 VAL HA H 1 3.628 0.020 A 29 VAL HB H 1 1.773 0.020 A 29 VAL HGx% H 1 0.813 0.020 A 29 VAL HGy% H 1 0.923 0.020 A 29 VAL C C 13 179.795 0.400 A 29 VAL CA C 13 65.941 0.400 A 29 VAL CB C 13 31.759 0.400 A 29 VAL CG1 C 13 20.335 0.400 A 29 VAL CG2 C 13 21.656 0.400 A 29 VAL N N 15 120.668 0.400 A 30 PHE H H 1 8.530 0.020 A 30 PHE HA H 1 4.791 0.020 A 30 PHE HBx H 1 2.868 0.020 A 30 PHE HBy H 1 3.350 0.020 A 30 PHE HD1 H 1 6.546 0.020 A 30 PHE HD2 H 1 6.546 0.020 A 30 PHE HE1 H 1 7.095 0.020 A 30 PHE HE2 H 1 7.095 0.020 A 30 PHE HZ H 1 7.180 0.020 A 30 PHE C C 13 178.328 0.400 A 30 PHE CA C 13 56.340 0.400 A 30 PHE CB C 13 37.430 0.400 A 30 PHE CD1 C 13 129.367 0.400 A 30 PHE CE1 C 13 130.377 0.400 A 30 PHE CZ C 13 130.377 0.400 A 30 PHE N N 15 120.668 0.400 A 31 LYS H H 1 9.100 0.020 A 31 LYS HA H 1 4.189 0.020 A 31 LYS HBx H 1 1.580 0.020 A 31 LYS HBy H 1 1.675 0.020 A 31 LYS HDx H 1 1.065 0.020 A 31 LYS HDy H 1 1.132 0.020 A 31 LYS HEx H 1 1.668 0.020 A 31 LYS HEy H 1 1.911 0.020 A 31 LYS HGx H 1 0.497 0.020 A 31 LYS HGy H 1 0.835 0.020 A 31 LYS C C 13 179.561 0.400 A 31 LYS CA C 13 59.730 0.400 A 31 LYS CB C 13 31.507 0.400 A 31 LYS CD C 13 28.923 0.400 A 31 LYS CE C 13 41.098 0.400 A 31 LYS CG C 13 25.700 0.400 A 31 LYS N N 15 122.805 0.400 A 32 GLN H H 1 7.443 0.020 A 32 GLN HA H 1 4.060 0.020 A 32 GLN HB2 H 1 2.245 0.020 A 32 GLN HB3 H 1 2.245 0.020 A 32 GLN HG2 H 1 2.450 0.020 A 32 GLN HG3 H 1 2.450 0.020 A 32 GLN C C 13 177.046 0.400 A 32 GLN CA C 13 58.658 0.400 A 32 GLN CB C 13 28.122 0.400 A 32 GLN CG C 13 33.255 0.400 A 32 GLN N N 15 119.684 0.400 A 33 TYR H H 1 8.274 0.020 A 33 TYR HA H 1 4.260 0.020 A 33 TYR HB2 H 1 3.313 0.020 A 33 TYR HB3 H 1 3.313 0.020 A 33 TYR HD1 H 1 6.996 0.020 A 33 TYR HD2 H 1 6.996 0.020 A 33 TYR HE1 H 1 6.752 0.020 A 33 TYR HE2 H 1 6.752 0.020 A 33 TYR C C 13 179.030 0.400 A 33 TYR CA C 13 61.773 0.400 A 33 TYR CB C 13 38.453 0.400 A 33 TYR CD1 C 13 132.901 0.400 A 33 TYR CE1 C 13 117.754 0.400 A 33 TYR N N 15 121.148 0.400 A 34 ALA H H 1 9.207 0.020 A 34 ALA HA H 1 3.818 0.020 A 34 ALA HB% H 1 1.874 0.020 A 34 ALA C C 13 179.278 0.400 A 34 ALA CA C 13 56.074 0.400 A 34 ALA CB C 13 17.734 0.400 A 34 ALA N N 15 122.585 0.400 A 35 ASN H H 1 8.254 0.020 A 35 ASN HA H 1 4.456 0.020 A 35 ASN HB2 H 1 2.959 0.020 A 35 ASN HB3 H 1 2.959 0.020 A 35 ASN C C 13 179.335 0.400 A 35 ASN CA C 13 56.899 0.400 A 35 ASN CB C 13 38.742 0.400 A 35 ASN N N 15 117.596 0.400 A 36 ASP H H 1 8.953 0.020 A 36 ASP HA H 1 4.376 0.020 A 36 ASP HBx H 1 2.581 0.020 A 36 ASP HBy H 1 2.743 0.020 A 36 ASP C C 13 177.110 0.400 A 36 ASP CA C 13 56.899 0.400 A 36 ASP CB C 13 39.779 0.400 A 36 ASP N N 15 121.388 0.400 A 37 ASN H H 1 7.401 0.020 A 37 ASN HA H 1 4.605 0.020 A 37 ASN HBx H 1 2.131 0.020 A 37 ASN HBy H 1 2.708 0.020 A 37 ASN C C 13 174.007 0.400 A 37 ASN CA C 13 53.791 0.400 A 37 ASN CB C 13 40.044 0.400 A 37 ASN N N 15 115.433 0.400 A 38 GLY H H 1 7.812 0.020 A 38 GLY HA2 H 1 3.937 0.020 A 38 GLY HA3 H 1 3.937 0.020 A 38 GLY C C 13 174.163 0.400 A 38 GLY CA C 13 46.700 0.400 A 38 GLY N N 15 108.065 0.400 A 39 VAL H H 1 8.129 0.020 A 39 VAL HA H 1 4.165 0.020 A 39 VAL HB H 1 1.762 0.020 A 39 VAL HGx% H 1 0.664 0.020 A 39 VAL HGy% H 1 0.837 0.020 A 39 VAL C C 13 173.752 0.400 A 39 VAL CA C 13 61.821 0.400 A 39 VAL CB C 13 33.211 0.400 A 39 VAL CG1 C 13 21.371 0.400 A 39 VAL CG2 C 13 21.634 0.400 A 39 VAL N N 15 120.909 0.400 A 40 ASP H H 1 8.509 0.020 A 40 ASP HA H 1 4.898 0.020 A 40 ASP HBx H 1 2.617 0.020 A 40 ASP HBy H 1 2.748 0.020 A 40 ASP C C 13 174.595 0.400 A 40 ASP CA C 13 52.495 0.400 A 40 ASP CB C 13 42.911 0.400 A 40 ASP N N 15 127.464 0.400 A 41 GLY H H 1 7.909 0.020 A 41 GLY HAy H 1 4.257 0.020 A 41 GLY HAx H 1 3.733 0.020 A 41 GLY C C 13 171.881 0.400 A 41 GLY CA C 13 45.194 0.400 A 41 GLY N N 15 107.369 0.400 A 42 GLU H H 1 8.046 0.020 A 42 GLU HA H 1 4.698 0.020 A 42 GLU HBx H 1 1.986 0.020 A 42 GLU HBy H 1 2.082 0.020 A 42 GLU HGx H 1 2.267 0.020 A 42 GLU HGy H 1 2.367 0.020 A 42 GLU C C 13 176.940 0.400 A 42 GLU CA C 13 55.604 0.400 A 42 GLU CB C 13 31.400 0.400 A 42 GLU CG C 13 36.435 0.400 A 42 GLU N N 15 120.668 0.400 A 43 TRP H H 1 9.333 0.020 A 43 TRP HA H 1 5.372 0.020 A 43 TRP HBx H 1 3.175 0.020 A 43 TRP HBy H 1 3.389 0.020 A 43 TRP HD1 H 1 7.576 0.020 A 43 TRP HE1 H 1 10.530 0.020 A 43 TRP HE3 H 1 7.638 0.020 A 43 TRP HH2 H 1 6.767 0.020 A 43 TRP HZ2 H 1 7.371 0.020 A 43 TRP HZ3 H 1 6.646 0.020 A 43 TRP C C 13 177.011 0.400 A 43 TRP CA C 13 57.640 0.400 A 43 TRP CB C 13 30.441 0.400 A 43 TRP CD1 C 13 126.843 0.400 A 43 TRP CE3 C 13 119.269 0.400 A 43 TRP CH2 C 13 122.803 0.400 A 43 TRP CZ2 C 13 114.220 0.400 A 43 TRP CZ3 C 13 120.279 0.400 A 43 TRP N N 15 128.183 0.400 A 43 TRP NE1 N 15 130.654 0.400 A 44 THR H H 1 9.277 0.020 A 44 THR HA H 1 4.835 0.020 A 44 THR HB H 1 4.246 0.020 A 44 THR HG2% H 1 1.193 0.020 A 44 THR C C 13 172.717 0.400 A 44 THR CA C 13 60.525 0.400 A 44 THR CB C 13 72.182 0.400 A 44 THR CG2 C 13 21.670 0.400 A 44 THR N N 15 114.685 0.400 A 45 TYR H H 1 8.582 0.020 A 45 TYR HA H 1 4.983 0.020 A 45 TYR HBx H 1 2.499 0.020 A 45 TYR HBy H 1 2.878 0.020 A 45 TYR HD1 H 1 7.823 0.020 A 45 TYR HD2 H 1 7.823 0.020 A 45 TYR HE1 H 1 6.387 0.020 A 45 TYR HE2 H 1 6.387 0.020 A 45 TYR C C 13 173.192 0.400 A 45 TYR CA C 13 56.854 0.400 A 45 TYR CB C 13 41.339 0.400 A 45 TYR CD1 C 13 131.892 0.400 A 45 TYR CE1 C 13 117.249 0.400 A 45 TYR N N 15 120.667 0.400 A 46 ASP H H 1 7.636 0.020 A 46 ASP HA H 1 4.603 0.020 A 46 ASP HBx H 1 2.282 0.020 A 46 ASP HBy H 1 2.624 0.020 A 46 ASP C C 13 174.588 0.400 A 46 ASP CA C 13 51.718 0.400 A 46 ASP CB C 13 42.893 0.400 A 46 ASP N N 15 128.433 0.400 A 47 ASP H H 1 8.587 0.020 A 47 ASP HA H 1 4.137 0.020 A 47 ASP HBx H 1 2.547 0.020 A 47 ASP HBy H 1 2.850 0.020 A 47 ASP C C 13 178.038 0.400 A 47 ASP CA C 13 56.363 0.400 A 47 ASP CB C 13 42.016 0.400 A 47 ASP N N 15 124.933 0.400 A 48 ALA H H 1 8.343 0.020 A 48 ALA HA H 1 4.134 0.020 A 48 ALA HB% H 1 1.512 0.020 A 48 ALA C C 13 179.873 0.400 A 48 ALA CA C 13 55.086 0.400 A 48 ALA CB C 13 18.303 0.400 A 48 ALA N N 15 119.934 0.400 A 49 THR H H 1 7.015 0.020 A 49 THR HA H 1 4.423 0.020 A 49 THR HB H 1 4.426 0.020 A 49 THR HG2% H 1 1.085 0.020 A 49 THR C C 13 175.275 0.400 A 49 THR CA C 13 60.266 0.400 A 49 THR CB C 13 70.000 0.400 A 49 THR CG2 C 13 20.375 0.400 A 49 THR N N 15 103.197 0.400 A 50 LYS H H 1 7.872 0.020 A 50 LYS HA H 1 4.195 0.020 A 50 LYS HBx H 1 2.055 0.020 A 50 LYS HBy H 1 2.106 0.020 A 50 LYS HDx H 1 1.445 0.020 A 50 LYS HDy H 1 1.729 0.020 A 50 LYS HEx H 1 2.982 0.020 A 50 LYS HEy H 1 3.109 0.020 A 50 LYS HGx H 1 1.255 0.020 A 50 LYS HGy H 1 1.434 0.020 A 50 LYS C C 13 175.048 0.400 A 50 LYS CA C 13 56.381 0.400 A 50 LYS CB C 13 29.174 0.400 A 50 LYS CD C 13 28.405 0.400 A 50 LYS CE C 13 42.652 0.400 A 50 LYS CG C 13 24.400 0.400 A 50 LYS N N 15 123.184 0.400 A 51 THR H H 1 7.391 0.020 A 51 THR HA H 1 5.508 0.020 A 51 THR HB H 1 3.773 0.020 A 51 THR HG2% H 1 1.003 0.020 A 51 THR C C 13 174.843 0.400 A 51 THR CA C 13 62.051 0.400 A 51 THR CB C 13 71.894 0.400 A 51 THR CG2 C 13 20.593 0.400 A 51 THR N N 15 111.156 0.400 A 52 PHE H H 1 10.393 0.020 A 52 PHE HA H 1 5.687 0.020 A 52 PHE HBx H 1 3.238 0.020 A 52 PHE HBy H 1 3.302 0.020 A 52 PHE HD1 H 1 7.820 0.020 A 52 PHE HD2 H 1 7.820 0.020 A 52 PHE HE1 H 1 7.159 0.020 A 52 PHE HE2 H 1 7.159 0.020 A 52 PHE HZ H 1 7.002 0.020 A 52 PHE C C 13 174.566 0.400 A 52 PHE CA C 13 57.113 0.400 A 52 PHE CB C 13 42.548 0.400 A 52 PHE CD1 C 13 131.892 0.400 A 52 PHE CE1 C 13 131.387 0.400 A 52 PHE CZ C 13 130.882 0.400 A 52 PHE N N 15 130.896 0.400 A 53 THR H H 1 9.118 0.020 A 53 THR HA H 1 5.224 0.020 A 53 THR HB H 1 3.832 0.020 A 53 THR HG2% H 1 0.966 0.020 A 53 THR C C 13 172.618 0.400 A 53 THR CA C 13 61.517 0.400 A 53 THR CB C 13 70.887 0.400 A 53 THR CG2 C 13 20.302 0.400 A 53 THR N N 15 117.108 0.400 A 54 VAL H H 1 8.203 0.020 A 54 VAL HA H 1 4.491 0.020 A 54 VAL HB H 1 -0.273 0.020 A 54 VAL HGx% H 1 -0.307 0.020 A 54 VAL HGy% H 1 0.388 0.020 A 54 VAL C C 13 173.263 0.400 A 54 VAL CA C 13 57.810 0.400 A 54 VAL CB C 13 32.291 0.400 A 54 VAL CG1 C 13 20.591 0.400 A 54 VAL CG2 C 13 19.558 0.400 A 54 VAL N N 15 123.283 0.400 A 55 THR H H 1 8.356 0.020 A 55 THR HA H 1 4.708 0.020 A 55 THR HB H 1 3.840 0.020 A 55 THR HG2% H 1 1.176 0.020 A 55 THR C C 13 174.496 0.400 A 55 THR CA C 13 60.755 0.400 A 55 THR CB C 13 70.300 0.400 A 55 THR CG2 C 13 21.123 0.400 A 55 THR N N 15 123.281 0.400 A 56 GLU H H 1 8.139 0.020 A 56 GLU HA H 1 4.581 0.020 A 56 GLU HBx H 1 2.030 0.020 A 56 GLU HBy H 1 2.189 0.020 A 56 GLU HG2 H 1 2.424 0.020 A 56 GLU HG3 H 1 2.424 0.020 A 56 GLU C C 13 176.068 0.400 A 56 GLU CA C 13 56.098 0.400 A 56 GLU CB C 13 31.924 0.400 A 56 GLU CG C 13 36.651 0.400 A 56 GLU N N 15 128.933 0.400 A 57 GLY H H 1 8.788 0.020 A 57 GLY HAy H 1 4.113 0.020 A 57 GLY HAx H 1 3.930 0.020 A 57 GLY C C 13 173.645 0.400 A 57 GLY CA C 13 44.911 0.400 A 57 GLY N N 15 112.353 0.400 A 58 SER H H 1 8.347 0.020 A 58 SER HA H 1 4.493 0.020 A 58 SER HBx H 1 3.839 0.020 A 58 SER HBy H 1 3.876 0.020 A 58 SER C C 13 174.375 0.400 A 58 SER CA C 13 57.935 0.400 A 58 SER CB C 13 63.634 0.400 A 58 SER N N 15 115.185 0.400 A 59 ASP H H 1 8.526 0.020 A 59 ASP HA H 1 4.634 0.020 A 59 ASP HBx H 1 2.615 0.020 A 59 ASP HBy H 1 2.712 0.020 A 59 ASP C C 13 176.118 0.400 A 59 ASP CA C 13 54.309 0.400 A 59 ASP CB C 13 41.098 0.400 A 59 ASP N N 15 122.587 0.400 A 60 GLU H H 1 8.387 0.020 A 60 GLU HA H 1 4.257 0.020 A 60 GLU HBx H 1 1.913 0.020 A 60 GLU HBy H 1 2.015 0.020 A 60 GLU HGx H 1 2.213 0.020 A 60 GLU HGy H 1 2.262 0.020 A 60 GLU C C 13 176.260 0.400 A 60 GLU CA C 13 56.323 0.400 A 60 GLU CB C 13 30.146 0.400 A 60 GLU CG C 13 36.104 0.400 A 60 GLU N N 15 121.386 0.400 A 61 LYS H H 1 8.337 0.020 A 61 LYS HA H 1 4.313 0.020 A 61 LYS HB2 H 1 1.756 0.020 A 61 LYS HB3 H 1 1.756 0.020 A 61 LYS HD2 H 1 1.656 0.020 A 61 LYS HD3 H 1 1.656 0.020 A 61 LYS HE2 H 1 2.985 0.020 A 61 LYS HE3 H 1 2.985 0.020 A 61 LYS HGx H 1 1.376 0.020 A 61 LYS HGy H 1 1.421 0.020 A 61 LYS C C 13 176.175 0.400 A 61 LYS CA C 13 56.122 0.400 A 61 LYS CB C 13 32.728 0.400 A 61 LYS CD C 13 28.923 0.400 A 61 LYS CE C 13 41.875 0.400 A 61 LYS CG C 13 24.779 0.400 A 61 LYS N N 15 122.684 0.400 A 62 ILE H H 1 8.193 0.020 A 62 ILE HA H 1 4.069 0.020 A 62 ILE HB H 1 1.644 0.020 A 62 ILE HD1% H 1 0.798 0.020 A 62 ILE HG1x H 1 1.031 0.020 A 62 ILE HG1y H 1 1.429 0.020 A 62 ILE HG2% H 1 0.532 0.020 A 62 ILE C C 13 175.750 0.400 A 62 ILE CA C 13 60.784 0.400 A 62 ILE CB C 13 38.748 0.400 A 62 ILE CD1 C 13 13.098 0.400 A 62 ILE CG1 C 13 27.311 0.400 A 62 ILE CG2 C 13 17.231 0.400 A 62 ILE N N 15 123.434 0.400 A 63 THR H H 1 8.116 0.020 A 63 THR HA H 1 4.290 0.020 A 63 THR HB H 1 4.012 0.020 A 63 THR HG2% H 1 1.072 0.020 A 63 THR C C 13 173.234 0.400 A 63 THR CA C 13 61.015 0.400 A 63 THR CB C 13 69.592 0.400 A 63 THR CG2 C 13 21.411 0.400 A 63 THR N N 15 120.429 0.400 A 64 PHE H H 1 8.286 0.020 A 64 PHE HA H 1 4.297 0.020 A 64 PHE HBx H 1 2.672 0.020 A 64 PHE HBy H 1 2.810 0.020 A 64 PHE HD1 H 1 6.997 0.020 A 64 PHE HD2 H 1 6.997 0.020 A 64 PHE HE1 H 1 6.907 0.020 A 64 PHE HE2 H 1 6.907 0.020 A 64 PHE HZ H 1 6.915 0.020 A 64 PHE C C 13 173.752 0.400 A 64 PHE CA C 13 55.795 0.400 A 64 PHE CB C 13 39.496 0.400 A 64 PHE CD1 C 13 131.387 0.400 A 64 PHE CE1 C 13 130.882 0.400 A 64 PHE CZ C 13 129.367 0.400 A 64 PHE N N 15 123.933 0.400 A 65 PRO HA H 1 4.148 0.020 A 65 PRO HBx H 1 1.666 0.020 A 65 PRO HBy H 1 1.952 0.020 A 65 PRO HDx H 1 2.586 0.020 A 65 PRO HDy H 1 2.856 0.020 A 65 PRO HG2 H 1 1.295 0.020 A 65 PRO HG3 H 1 1.295 0.020 A 65 PRO C C 13 176.812 0.400 A 65 PRO CA C 13 62.598 0.400 A 65 PRO CB C 13 31.737 0.400 A 65 PRO CD C 13 49.872 0.400 A 65 PRO CG C 13 27.074 0.400 A 66 SER H H 1 8.185 0.020 A 66 SER HA H 1 4.081 0.020 A 66 SER HBx H 1 3.764 0.020 A 66 SER HBy H 1 3.828 0.020 A 66 SER C C 13 174.283 0.400 A 66 SER CA C 13 59.748 0.400 A 66 SER CB C 13 63.116 0.400 A 66 SER N N 15 114.683 0.400 A 67 ASP H H 1 8.274 0.020 A 67 ASP HA H 1 4.519 0.020 A 67 ASP HBx H 1 2.613 0.020 A 67 ASP HBy H 1 2.733 0.020 A 67 ASP C C 13 175.346 0.400 A 67 ASP CA C 13 53.791 0.400 A 67 ASP CB C 13 40.062 0.400 A 67 ASP N N 15 117.810 0.400 A 68 ILE H H 1 7.393 0.020 A 68 ILE HA H 1 4.203 0.020 A 68 ILE HB H 1 1.760 0.020 A 68 ILE HD1% H 1 0.786 0.020 A 68 ILE HG1x H 1 1.179 0.020 A 68 ILE HG1y H 1 1.299 0.020 A 68 ILE HG2% H 1 0.752 0.020 A 68 ILE C C 13 174.070 0.400 A 68 ILE CA C 13 59.230 0.400 A 68 ILE CB C 13 38.981 0.400 A 68 ILE CD1 C 13 12.288 0.400 A 68 ILE CG1 C 13 27.345 0.400 A 68 ILE CG2 C 13 16.960 0.400 A 68 ILE N N 15 119.434 0.400 A 69 ASP H H 1 8.381 0.020 A 69 ASP HA H 1 4.801 0.020 A 69 ASP HBx H 1 2.630 0.020 A 69 ASP HBy H 1 2.799 0.020 A 69 ASP C C 13 175.509 0.400 A 69 ASP CA C 13 51.159 0.400 A 69 ASP CB C 13 41.802 0.400 A 69 ASP N N 15 127.433 0.400 A 70 PRO HA H 1 3.780 0.020 A 70 PRO HBx H 1 1.956 0.020 A 70 PRO HBy H 1 1.999 0.020 A 70 PRO HDx H 1 3.814 0.020 A 70 PRO HDy H 1 3.964 0.020 A 70 PRO HGx H 1 1.639 0.020 A 70 PRO HGy H 1 2.040 0.020 A 70 PRO C C 13 177.025 0.400 A 70 PRO CA C 13 64.851 0.400 A 70 PRO CB C 13 31.960 0.400 A 70 PRO CD C 13 50.869 0.400 A 70 PRO CG C 13 27.297 0.400 A 71 GLN H H 1 8.263 0.020 A 71 GLN HA H 1 4.120 0.020 A 71 GLN HB2 H 1 2.093 0.020 A 71 GLN HB3 H 1 2.093 0.020 A 71 GLN HE2x H 1 6.851 0.020 A 71 GLN HE2y H 1 7.796 0.020 A 71 GLN HGx H 1 2.402 0.020 A 71 GLN HGy H 1 2.458 0.020 A 71 GLN C C 13 178.477 0.400 A 71 GLN CA C 13 58.390 0.400 A 71 GLN CB C 13 28.333 0.400 A 71 GLN CG C 13 34.347 0.400 A 71 GLN N N 15 114.435 0.400 A 71 GLN NE2 N 15 112.579 0.400 A 72 VAL H H 1 7.347 0.020 A 72 VAL HA H 1 3.770 0.020 A 72 VAL HB H 1 2.235 0.020 A 72 VAL HGx% H 1 0.943 0.020 A 72 VAL HGy% H 1 1.015 0.020 A 72 VAL C C 13 178.342 0.400 A 72 VAL CA C 13 64.819 0.400 A 72 VAL CB C 13 31.930 0.400 A 72 VAL CG1 C 13 20.893 0.400 A 72 VAL CG2 C 13 22.164 0.400 A 72 VAL N N 15 117.934 0.400 A 73 PHE H H 1 7.829 0.020 A 73 PHE HA H 1 3.956 0.020 A 73 PHE HBx H 1 2.793 0.020 A 73 PHE HBy H 1 2.852 0.020 A 73 PHE HD1 H 1 6.551 0.020 A 73 PHE HD2 H 1 6.551 0.020 A 73 PHE HE1 H 1 7.171 0.020 A 73 PHE HE2 H 1 7.171 0.020 A 73 PHE HZ H 1 7.182 0.020 A 73 PHE C C 13 176.741 0.400 A 73 PHE CA C 13 61.255 0.400 A 73 PHE CB C 13 39.504 0.400 A 73 PHE CD1 C 13 131.387 0.400 A 73 PHE CE1 C 13 131.387 0.400 A 73 PHE CZ C 13 129.367 0.400 A 73 PHE N N 15 120.419 0.400 A 74 TYR H H 1 8.073 0.020 A 74 TYR HA H 1 4.294 0.020 A 74 TYR HBx H 1 2.920 0.020 A 74 TYR HBy H 1 3.311 0.020 A 74 TYR HD1 H 1 7.335 0.020 A 74 TYR HD2 H 1 7.335 0.020 A 74 TYR HE1 H 1 6.969 0.020 A 74 TYR HE2 H 1 6.969 0.020 A 74 TYR C C 13 176.416 0.400 A 74 TYR CA C 13 60.230 0.400 A 74 TYR CB C 13 37.176 0.400 A 74 TYR CD1 C 13 133.407 0.400 A 74 TYR CE1 C 13 117.754 0.400 A 74 TYR N N 15 113.185 0.400 A 75 GLU H H 1 7.420 0.020 A 75 GLU HA H 1 4.314 0.020 A 75 GLU HBx H 1 2.013 0.020 A 75 GLU HBy H 1 2.188 0.020 A 75 GLU HGx H 1 2.288 0.020 A 75 GLU HGy H 1 2.513 0.020 A 75 GLU C C 13 177.308 0.400 A 75 GLU CA C 13 56.122 0.400 A 75 GLU CB C 13 30.128 0.400 A 75 GLU CG C 13 36.687 0.400 A 75 GLU N N 15 116.866 0.400 A 76 LEU H H 1 7.413 0.020 A 76 LEU HA H 1 4.405 0.020 A 76 LEU HBx H 1 1.026 0.020 A 76 LEU HBy H 1 1.698 0.020 A 76 LEU HDx% H 1 0.695 0.020 A 76 LEU HDy% H 1 0.845 0.020 A 76 LEU HG H 1 1.969 0.020 A 76 LEU C C 13 174.786 0.400 A 76 LEU CA C 13 53.248 0.400 A 76 LEU CB C 13 40.562 0.400 A 76 LEU CD1 C 13 26.045 0.400 A 76 LEU CD2 C 13 22.102 0.400 A 76 LEU CG C 13 25.801 0.400 A 76 LEU N N 15 121.684 0.400 A 77 PRO HA H 1 4.424 0.020 A 77 PRO HBx H 1 1.758 0.020 A 77 PRO HBy H 1 2.544 0.020 A 77 PRO HDx H 1 3.324 0.020 A 77 PRO HDy H 1 3.978 0.020 A 77 PRO HG2 H 1 2.147 0.020 A 77 PRO HG3 H 1 2.147 0.020 A 77 PRO C C 13 177.776 0.400 A 77 PRO CA C 13 62.781 0.400 A 77 PRO CB C 13 32.257 0.400 A 77 PRO CD C 13 50.131 0.400 A 77 PRO CG C 13 28.136 0.400 A 78 GLU H H 1 9.000 0.020 A 78 GLU HA H 1 3.719 0.020 A 78 GLU HBx H 1 1.985 0.020 A 78 GLU HBy H 1 2.079 0.020 A 78 GLU HGx H 1 2.238 0.020 A 78 GLU HGy H 1 2.340 0.020 A 78 GLU C C 13 177.896 0.400 A 78 GLU CA C 13 60.237 0.400 A 78 GLU CB C 13 29.441 0.400 A 78 GLU CG C 13 36.435 0.400 A 78 GLU N N 15 125.902 0.400 A 79 ALA H H 1 8.910 0.020 A 79 ALA HA H 1 4.034 0.020 A 79 ALA HB% H 1 1.406 0.020 A 79 ALA C C 13 180.553 0.400 A 79 ALA CA C 13 55.050 0.400 A 79 ALA CB C 13 18.279 0.400 A 79 ALA N N 15 118.434 0.400 A 80 VAL H H 1 7.005 0.020 A 80 VAL HA H 1 3.719 0.020 A 80 VAL HB H 1 2.036 0.020 A 80 VAL HGx% H 1 0.953 0.020 A 80 VAL HGy% H 1 0.978 0.020 A 80 VAL C C 13 177.655 0.400 A 80 VAL CA C 13 64.889 0.400 A 80 VAL CB C 13 31.749 0.400 A 80 VAL CG1 C 13 21.893 0.400 A 80 VAL CG2 C 13 21.881 0.400 A 80 VAL N N 15 117.684 0.400 A 81 GLN H H 1 7.853 0.020 A 81 GLN HA H 1 3.470 0.020 A 81 GLN HBx H 1 1.869 0.020 A 81 GLN HBy H 1 2.072 0.020 A 81 GLN HE2x H 1 6.595 0.020 A 81 GLN HE2y H 1 7.297 0.020 A 81 GLN HGx H 1 0.947 0.020 A 81 GLN HGy H 1 1.856 0.020 A 81 GLN C C 13 178.350 0.400 A 81 GLN CA C 13 59.450 0.400 A 81 GLN CB C 13 28.384 0.400 A 81 GLN CG C 13 33.041 0.400 A 81 GLN N N 15 118.434 0.400 A 81 GLN NE2 N 15 111.628 0.400 A 82 LYS H H 1 7.961 0.020 A 82 LYS HA H 1 3.905 0.020 A 82 LYS HB2 H 1 1.855 0.020 A 82 LYS HB3 H 1 1.855 0.020 A 82 LYS HD2 H 1 1.663 0.020 A 82 LYS HD3 H 1 1.663 0.020 A 82 LYS HE2 H 1 2.969 0.020 A 82 LYS HE3 H 1 2.969 0.020 A 82 LYS HGx H 1 1.473 0.020 A 82 LYS HGy H 1 1.661 0.020 A 82 LYS C C 13 179.512 0.400 A 82 LYS CA C 13 59.404 0.400 A 82 LYS CB C 13 32.550 0.400 A 82 LYS CD C 13 29.441 0.400 A 82 LYS CE C 13 41.875 0.400 A 82 LYS CG C 13 25.497 0.400 A 82 LYS N N 15 114.435 0.400 A 83 GLU H H 1 7.484 0.020 A 83 GLU HA H 1 4.077 0.020 A 83 GLU HBx H 1 2.109 0.020 A 83 GLU HBy H 1 2.163 0.020 A 83 GLU HGx H 1 2.256 0.020 A 83 GLU HGy H 1 2.403 0.020 A 83 GLU C C 13 179.186 0.400 A 83 GLU CA C 13 58.911 0.400 A 83 GLU CB C 13 29.628 0.400 A 83 GLU CG C 13 35.845 0.400 A 83 GLU N N 15 120.428 0.400 A 84 LEU H H 1 8.199 0.020 A 84 LEU HA H 1 3.715 0.020 A 84 LEU HBx H 1 0.545 0.020 A 84 LEU HBy H 1 1.650 0.020 A 84 LEU HDx% H 1 0.771 0.020 A 84 LEU HDy% H 1 0.759 0.020 A 84 LEU HG H 1 1.601 0.020 A 84 LEU C C 13 178.052 0.400 A 84 LEU CA C 13 57.658 0.400 A 84 LEU CB C 13 41.068 0.400 A 84 LEU CD1 C 13 22.670 0.400 A 84 LEU CD2 C 13 26.285 0.400 A 84 LEU CG C 13 26.841 0.400 A 84 LEU N N 15 121.434 0.400 A 85 LEU H H 1 8.076 0.020 A 85 LEU HA H 1 3.888 0.020 A 85 LEU HBx H 1 1.488 0.020 A 85 LEU HBy H 1 1.829 0.020 A 85 LEU HDx% H 1 0.885 0.020 A 85 LEU HDy% H 1 0.978 0.020 A 85 LEU HG H 1 1.932 0.020 A 85 LEU C C 13 179.540 0.400 A 85 LEU CA C 13 57.906 0.400 A 85 LEU CB C 13 41.598 0.400 A 85 LEU CD1 C 13 23.442 0.400 A 85 LEU CD2 C 13 25.538 0.400 A 85 LEU CG C 13 27.009 0.400 A 85 LEU N N 15 117.104 0.400 A 86 ALA H H 1 7.667 0.020 A 86 ALA HA H 1 4.108 0.020 A 86 ALA HB% H 1 1.487 0.020 A 86 ALA C C 13 180.426 0.400 A 86 ALA CA C 13 54.803 0.400 A 86 ALA CB C 13 17.761 0.400 A 86 ALA N N 15 119.934 0.400 A 87 GLU H H 1 7.892 0.020 A 87 GLU HA H 1 4.153 0.020 A 87 GLU HB2 H 1 2.059 0.020 A 87 GLU HB3 H 1 2.059 0.020 A 87 GLU HG2 H 1 2.290 0.020 A 87 GLU HG3 H 1 2.290 0.020 A 87 GLU C C 13 179.214 0.400 A 87 GLU CA C 13 58.658 0.400 A 87 GLU CB C 13 28.851 0.400 A 87 GLU CG C 13 35.327 0.400 A 87 GLU N N 15 120.429 0.400 A 88 TRP H H 1 8.621 0.020 A 88 TRP HA H 1 4.603 0.020 A 88 TRP HB2 H 1 3.238 0.020 A 88 TRP HB3 H 1 3.238 0.020 A 88 TRP HD1 H 1 7.084 0.020 A 88 TRP HE1 H 1 10.117 0.020 A 88 TRP HE3 H 1 7.295 0.020 A 88 TRP HH2 H 1 6.791 0.020 A 88 TRP HZ2 H 1 7.282 0.020 A 88 TRP HZ3 H 1 6.434 0.020 A 88 TRP C C 13 178.768 0.400 A 88 TRP CA C 13 58.151 0.400 A 88 TRP CB C 13 28.354 0.400 A 88 TRP CD1 C 13 124.318 0.400 A 88 TRP CE3 C 13 120.279 0.400 A 88 TRP CH2 C 13 123.813 0.400 A 88 TRP CZ2 C 13 113.715 0.400 A 88 TRP CZ3 C 13 121.296 0.400 A 88 TRP N N 15 121.622 0.400 A 88 TRP NE1 N 15 128.276 0.400 A 89 LYS H H 1 8.058 0.020 A 89 LYS HA H 1 4.118 0.020 A 89 LYS HB2 H 1 1.928 0.020 A 89 LYS HB3 H 1 1.928 0.020 A 89 LYS HD2 H 1 1.700 0.020 A 89 LYS HD3 H 1 1.700 0.020 A 89 LYS HE2 H 1 2.970 0.020 A 89 LYS HE3 H 1 2.970 0.020 A 89 LYS HGx H 1 1.442 0.020 A 89 LYS HGy H 1 1.582 0.020 A 89 LYS C C 13 178.229 0.400 A 89 LYS CA C 13 58.182 0.400 A 89 LYS CB C 13 32.250 0.400 A 89 LYS CD C 13 29.146 0.400 A 89 LYS CE C 13 41.875 0.400 A 89 LYS CG C 13 25.283 0.400 A 89 LYS N N 15 118.934 0.400 A 90 ARG H H 1 7.888 0.020 A 90 ARG HA H 1 4.211 0.020 A 90 ARG HB2 H 1 1.982 0.020 A 90 ARG HB3 H 1 1.982 0.020 A 90 ARG HDx H 1 3.211 0.020 A 90 ARG HDy H 1 3.247 0.020 A 90 ARG HGx H 1 1.660 0.020 A 90 ARG HGy H 1 1.776 0.020 A 90 ARG C C 13 177.712 0.400 A 90 ARG CA C 13 58.194 0.400 A 90 ARG CB C 13 30.726 0.400 A 90 ARG CD C 13 43.098 0.400 A 90 ARG CG C 13 27.628 0.400 A 90 ARG N N 15 119.184 0.400 A 91 THR H H 1 8.106 0.020 A 91 THR HA H 1 4.361 0.020 A 91 THR HB H 1 4.383 0.020 A 91 THR HG2% H 1 1.284 0.020 A 91 THR C C 13 175.679 0.400 A 91 THR CA C 13 62.574 0.400 A 91 THR CB C 13 70.000 0.400 A 91 THR CG2 C 13 21.387 0.400 A 91 THR N N 15 110.436 0.400 A 92 GLY H H 1 8.160 0.020 A 92 GLY HAy H 1 4.047 0.020 A 92 GLY HAx H 1 3.924 0.020 A 92 GLY C C 13 174.581 0.400 A 92 GLY CA C 13 45.760 0.400 A 92 GLY N N 15 110.918 0.400 A 93 SER H H 1 8.221 0.020 A 93 SER HA H 1 4.378 0.020 A 93 SER HBx H 1 3.757 0.020 A 93 SER HBy H 1 3.818 0.020 A 93 SER C C 13 174.120 0.400 A 93 SER CA C 13 58.712 0.400 A 93 SER CB C 13 63.634 0.400 A 93 SER N N 15 115.433 0.400 A 94 ASP H H 1 8.343 0.020 A 94 ASP HA H 1 4.548 0.020 A 94 ASP HBx H 1 2.555 0.020 A 94 ASP HBy H 1 2.570 0.020 A 94 ASP C C 13 175.842 0.400 A 94 ASP CA C 13 54.309 0.400 A 94 ASP CB C 13 41.098 0.400 A 94 ASP N N 15 121.639 0.400 A 95 PHE H H 1 7.946 0.020 A 95 PHE HA H 1 4.436 0.020 A 95 PHE HB2 H 1 2.906 0.020 A 95 PHE HB3 H 1 2.906 0.020 A 95 PHE HD1 H 1 6.990 0.020 A 95 PHE HD2 H 1 6.990 0.020 A 95 PHE HE1 H 1 7.172 0.020 A 95 PHE HE2 H 1 7.172 0.020 A 95 PHE C C 13 175.261 0.400 A 95 PHE CA C 13 57.911 0.400 A 95 PHE CB C 13 39.491 0.400 A 95 PHE CD1 C 13 131.387 0.400 A 95 PHE N N 15 120.184 0.400 A 96 HIS H H 1 8.158 0.020 A 96 HIS HA H 1 4.523 0.020 A 96 HIS HB2 H 1 2.987 0.020 A 96 HIS HB3 H 1 2.987 0.020 A 96 HIS HD1 H 1 7.012 0.020 A 96 HIS C C 13 174.722 0.400 A 96 HIS CA C 13 55.839 0.400 A 96 HIS CB C 13 29.935 0.400 A 96 HIS N N 15 120.430 0.400 A 97 ILE H H 1 7.984 0.020 A 97 ILE HA H 1 4.017 0.020 A 97 ILE HB H 1 1.735 0.020 A 97 ILE HD1% H 1 0.792 0.020 A 97 ILE HG1x H 1 1.054 0.020 A 97 ILE HG1y H 1 1.335 0.020 A 97 ILE HG2% H 1 0.809 0.020 A 97 ILE C C 13 176.430 0.400 A 97 ILE CA C 13 61.562 0.400 A 97 ILE CB C 13 38.238 0.400 A 97 ILE CD1 C 13 13.360 0.400 A 97 ILE CG1 C 13 27.628 0.400 A 97 ILE CG2 C 13 17.494 0.400 A 97 ILE N N 15 121.612 0.400 A 98 GLY H H 1 8.386 0.020 A 98 GLY HAy H 1 3.915 0.020 A 98 GLY HAx H 1 3.877 0.020 A 98 GLY C C 13 174.078 0.400 A 98 GLY CA C 13 45.188 0.400 A 98 GLY N N 15 111.637 0.400 A 99 HIS H H 1 8.150 0.020 A 99 HIS HA H 1 4.605 0.020 A 99 HIS HB2 H 1 3.068 0.020 A 99 HIS HB3 H 1 3.068 0.020 A 99 HIS HD1 H 1 6.970 0.020 A 99 HIS C C 13 175.261 0.400 A 99 HIS CA C 13 56.098 0.400 A 99 HIS CB C 13 30.218 0.400 A 99 HIS N N 15 119.184 0.400 A 100 LYS H H 1 8.265 0.020 A 100 LYS HA H 1 4.227 0.020 A 100 LYS C C 13 176.529 0.400 A 100 LYS CA C 13 56.381 0.400 A 100 LYS N N 15 121.680 0.400 A 101 LEU H H 1 8.321 0.020 A 101 LEU HA H 1 4.308 0.020 A 101 LEU HBx H 1 1.514 0.020 A 101 LEU HBy H 1 1.601 0.020 A 101 LEU HDx% H 1 0.816 0.020 A 101 LEU HDy% H 1 0.856 0.020 A 101 LEU HG H 1 1.567 0.020 A 101 LEU C C 13 177.181 0.400 A 101 LEU CA C 13 55.086 0.400 A 101 LEU CB C 13 41.875 0.400 A 101 LEU CD1 C 13 23.465 0.400 A 101 LEU CD2 C 13 25.038 0.400 A 101 LEU CG C 13 27.110 0.400 A 101 LEU N N 15 122.597 0.400 A 102 GLU H H 1 8.304 0.020 A 102 GLU HA H 1 4.185 0.020 A 102 GLU HB2 H 1 1.875 0.020 A 102 GLU HB3 H 1 1.875 0.020 A 102 GLU HG2 H 1 2.156 0.020 A 102 GLU HG3 H 1 2.156 0.020 A 102 GLU C C 13 176.125 0.400 A 102 GLU CA C 13 56.381 0.400 A 102 GLU N N 15 121.151 0.400 A 103 HIS H H 1 8.258 0.020 A 103 HIS HA H 1 4.548 0.020 A 103 HIS HB2 H 1 3.020 0.020 A 103 HIS HB3 H 1 3.020 0.020 A 103 HIS C C 13 174.956 0.400 A 103 HIS CA C 13 56.122 0.400 A 103 HIS CB C 13 30.477 0.400 A 103 HIS N N 15 119.430 0.400 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 58 SER HBx A 59 ASP H 1.0 1.80 5.86 2 2 A 59 ASP H A 58 SER HBy 1.0 1.80 5.86 3 3 A 59 ASP HA A 59 ASP HBx 1.0 1.80 2.79 4 3 A 59 ASP HA A 59 ASP HBy 1.0 1.80 2.79 5 4 A 59 ASP HA A 60 GLU H 1.0 1.80 3.47 6 5 A 60 GLU H A 59 ASP HBx 1.0 1.80 4.60 7 6 A 59 ASP HBy A 60 GLU H 1.0 1.80 4.60 8 7 A 60 GLU H A 59 ASP HBx 1.0 1.80 4.07 9 7 A 59 ASP HBy A 60 GLU H 1.0 1.80 4.07 10 8 A 60 GLU H A 60 GLU HBx 1.0 1.80 3.89 11 9 A 60 GLU H A 60 GLU HBy 1.0 1.80 3.89 12 10 A 60 GLU H A 60 GLU HGx 1.0 1.80 5.71 13 11 A 60 GLU H A 60 GLU HGy 1.0 1.80 5.71 14 12 A 60 GLU H A 60 GLU HGx 1.0 1.80 4.96 15 12 A 60 GLU H A 60 GLU HGy 1.0 1.80 4.96 16 13 A 60 GLU HA A 60 GLU HGx 1.0 1.80 3.75 17 13 A 60 GLU HGy A 60 GLU HA 1.0 1.80 3.75 18 14 A 60 GLU HA A 61 LYS H 1.0 1.80 3.30 19 15 A 61 LYS H A 60 GLU HBx 1.0 1.80 4.88 20 16 A 61 LYS H A 60 GLU HBy 1.0 1.80 4.88 21 17 A 61 LYS H A 60 GLU HGx 1.0 1.80 6.12 22 18 A 60 GLU HGy A 61 LYS H 1.0 1.80 6.12 23 19 A 60 GLU HBx A 60 GLU HGx 1.0 1.80 2.42 24 19 A 60 GLU HBy A 60 GLU HGx 1.0 1.80 2.42 25 19 A 60 GLU HGy A 60 GLU HBx 1.0 1.80 2.42 26 19 A 60 GLU HGy A 60 GLU HBy 1.0 1.80 2.42 27 20 A 61 LYS H A 60 GLU HBx 1.0 1.80 4.27 28 20 A 61 LYS H A 60 GLU HBy 1.0 1.80 4.27 29 21 A 61 LYS H A 60 GLU HGx 1.0 1.80 5.34 30 21 A 60 GLU HGy A 61 LYS H 1.0 1.80 5.34 31 22 A 61 LYS H A 61 LYS HB2 1.0 1.80 3.22 32 22 A 61 LYS H A 61 LYS HB3 1.0 1.80 3.22 33 23 A 61 LYS H A 61 LYS HGy 1.0 1.80 4.90 34 23 A 61 LYS H A 61 LYS HGx 1.0 1.80 4.90 35 24 A 61 LYS HA A 61 LYS HB2 1.0 1.80 2.89 36 24 A 61 LYS HB3 A 61 LYS HA 1.0 1.80 2.89 37 25 A 61 LYS HA A 61 LYS HD2 1.0 1.80 4.20 38 25 A 61 LYS HA A 61 LYS HD3 1.0 1.80 4.20 39 26 A 61 LYS HA A 61 LYS HE2 1.0 1.80 4.72 40 26 A 61 LYS HA A 61 LYS HE3 1.0 1.80 4.72 41 27 A 61 LYS HA A 61 LYS HGy 1.0 1.80 3.76 42 27 A 61 LYS HGx A 61 LYS HA 1.0 1.80 3.76 43 28 A 61 LYS HA A 62 ILE H 1.0 1.80 2.86 44 29 A 61 LYS HA A 62 ILE HB 1.0 1.80 5.62 45 30 A 61 LYS HA A 62 ILE HG1y 1.0 1.80 4.55 46 31 A 61 LYS HGx A 61 LYS HE3 1.0 1.80 3.69 47 31 A 61 LYS HGx A 61 LYS HE2 1.0 1.80 3.69 48 32 A 61 LYS HE2 A 61 LYS HGy 1.0 1.80 3.69 49 32 A 61 LYS HE3 A 61 LYS HGy 1.0 1.80 3.69 50 33 A 61 LYS HB3 A 61 LYS HGx 1.0 1.80 2.95 51 33 A 61 LYS HGx A 61 LYS HB2 1.0 1.80 2.95 52 34 A 61 LYS HB2 A 61 LYS HGy 1.0 1.80 2.95 53 34 A 61 LYS HB3 A 61 LYS HGy 1.0 1.80 2.95 54 35 A 61 LYS HB2 A 61 LYS HGy 1.0 1.80 2.49 55 35 A 61 LYS HB3 A 61 LYS HGy 1.0 1.80 2.49 56 35 A 61 LYS HGx A 61 LYS HB2 1.0 1.80 2.49 57 35 A 61 LYS HB3 A 61 LYS HGx 1.0 1.80 2.49 58 36 A 62 ILE H A 61 LYS HB2 1.0 1.80 4.10 59 36 A 61 LYS HB3 A 62 ILE H 1.0 1.80 4.10 60 37 A 62 ILE H A 62 ILE HB 1.0 1.80 3.21 61 38 A 62 ILE H A 62 ILE HG1x 1.0 1.80 4.04 62 39 A 62 ILE H A 62 ILE HG1y 1.0 1.80 3.51 63 40 A 62 ILE H A 62 ILE HD1% 1.0 1.80 4.87 64 41 A 62 ILE HG1x A 62 ILE HA 1.0 1.80 3.36 65 42 A 62 ILE HG1y A 62 ILE HA 1.0 1.80 3.54 66 43 A 62 ILE HD1% A 62 ILE HA 1.0 1.80 4.04 67 44 A 62 ILE HA A 62 ILE HG2% 1.0 1.80 3.13 68 45 A 62 ILE HA A 63 THR H 1.0 1.80 3.01 69 46 A 62 ILE HB A 62 ILE HG1y 1.0 1.80 2.68 70 47 A 62 ILE HB A 62 ILE HD1% 1.0 1.80 3.16 71 48 A 62 ILE HB A 63 THR H 1.0 1.80 4.28 72 49 A 62 ILE HB A 63 THR HA 1.0 1.80 4.87 73 50 A 62 ILE HB A 64 PHE H 1.0 1.80 5.77 74 51 A 62 ILE HB A 64 PHE HZ 1.0 1.80 5.50 75 52 A 62 ILE HB A 64 PHE HD% 1.0 1.80 5.13 76 53 A 62 ILE HB A 64 PHE HE% 1.0 1.80 4.93 77 54 A 62 ILE HG1y A 63 THR H 1.0 1.80 5.35 78 55 A 62 ILE HD1% A 64 PHE HZ 1.0 1.80 4.04 79 56 A 62 ILE HD1% A 64 PHE HE% 1.0 1.80 4.05 80 57 A 62 ILE HD1% A 73 PHE HD% 1.0 1.80 5.40 81 58 A 62 ILE HD1% A 74 TYR HD% 1.0 1.80 5.20 82 59 A 62 ILE HD1% A 74 TYR HE% 1.0 1.80 4.17 83 60 A 62 ILE HD1% A 88 TRP HZ3 1.0 1.80 5.40 84 61 A 62 ILE HG1x A 62 ILE HG2% 1.0 1.80 2.98 85 62 A 62 ILE HG1y A 62 ILE HG2% 1.0 1.80 3.53 86 63 A 62 ILE HD1% A 62 ILE HG2% 1.0 1.80 2.51 87 64 A 62 ILE HG2% A 63 THR H 1.0 1.80 3.94 88 65 A 62 ILE HG2% A 63 THR HA 1.0 1.80 4.51 89 66 A 62 ILE HG2% A 64 PHE H 1.0 1.80 4.76 90 67 A 62 ILE HG2% A 64 PHE HA 1.0 1.80 4.53 91 68 A 62 ILE HG2% A 64 PHE HZ 1.0 1.80 3.74 92 69 A 62 ILE HG2% A 64 PHE HD% 1.0 1.80 3.44 93 70 A 62 ILE HG2% A 64 PHE HE% 1.0 1.80 3.44 94 71 A 62 ILE HG2% A 73 PHE HD% 1.0 1.80 5.56 95 72 A 62 ILE HG2% A 73 PHE HE% 1.0 1.80 4.40 96 73 A 62 ILE HG2% A 74 TYR HE% 1.0 1.80 6.20 97 74 A 62 ILE HG2% A 85 LEU HDy% 1.0 1.80 2.99 98 75 A 62 ILE HG2% A 85 LEU HDy% 1.0 1.80 3.00 99 75 A 62 ILE HG2% A 85 LEU HDx% 1.0 1.80 3.00 100 76 A 62 ILE HG2% A 88 TRP HE3 1.0 1.80 4.13 101 77 A 62 ILE HG2% A 88 TRP HH2 1.0 1.80 5.25 102 78 A 62 ILE HG2% A 88 TRP HZ3 1.0 1.80 3.98 103 79 A 63 THR H A 63 THR HB 1.0 1.80 3.98 104 80 A 63 THR H A 63 THR HG2% 1.0 1.80 4.20 105 81 A 63 THR HA A 63 THR HG2% 1.0 1.80 2.87 106 82 A 63 THR HA A 64 PHE H 1.0 1.80 2.85 107 83 A 64 PHE H A 63 THR HB 1.0 1.80 4.51 108 84 A 64 PHE H A 63 THR HG2% 1.0 1.80 4.11 109 85 A 64 PHE H A 64 PHE HBx 1.0 1.80 3.24 110 86 A 64 PHE H A 64 PHE HBy 1.0 1.80 4.06 111 87 A 64 PHE H A 64 PHE HD% 1.0 1.80 4.00 112 88 A 64 PHE H A 65 PRO HG2 1.0 1.80 6.20 113 88 A 64 PHE H A 65 PRO HG3 1.0 1.80 6.20 114 89 A 64 PHE H A 85 LEU HDy% 1.0 1.80 6.30 115 90 A 64 PHE HD% A 64 PHE HA 1.0 1.80 3.69 116 91 A 64 PHE HE% A 64 PHE HA 1.0 1.80 4.90 117 92 A 64 PHE HA A 65 PRO HDx 1.0 1.80 2.85 118 93 A 64 PHE HA A 68 ILE HG2% 1.0 1.80 4.70 119 94 A 64 PHE HA A 88 TRP HE1 1.0 1.80 5.90 120 95 A 64 PHE HBx A 68 ILE HB 1.0 1.80 4.21 121 96 A 64 PHE HBx A 68 ILE HG2% 1.0 1.79 4.08 122 97 A 64 PHE HBx A 70 PRO HDy 1.0 1.80 4.57 123 98 A 64 PHE HBy A 68 ILE HA 1.0 1.80 5.66 124 99 A 64 PHE HBy A 68 ILE HB 1.0 1.80 3.44 125 100 A 64 PHE HBy A 68 ILE HG2% 1.0 1.80 3.16 126 101 A 88 TRP HH2 A 64 PHE HBy 1.0 1.80 5.52 127 102 A 64 PHE HZ A 70 PRO HA 1.0 1.80 4.85 128 103 A 64 PHE HZ A 70 PRO HBx 1.0 1.80 6.20 129 104 A 64 PHE HZ A 70 PRO HBy 1.0 1.80 6.20 130 105 A 64 PHE HZ A 73 PHE HBy 1.0 1.80 6.20 131 106 A 64 PHE HZ A 85 LEU HDy% 1.0 1.80 6.20 132 107 A 64 PHE HD% A 65 PRO HDx 1.0 1.80 4.13 133 108 A 64 PHE HD% A 65 PRO HDy 1.0 1.80 5.32 134 109 A 64 PHE HD% A 65 PRO HG2 1.0 1.80 5.59 135 109 A 64 PHE HD% A 65 PRO HG3 1.0 1.80 5.59 136 110 A 64 PHE HD% A 68 ILE HB 1.0 1.80 4.63 137 111 A 64 PHE HD% A 68 ILE HG1y 1.0 1.80 6.04 138 112 A 64 PHE HD% A 68 ILE HG2% 1.0 1.80 3.70 139 113 A 64 PHE HD% A 70 PRO HA 1.0 1.80 4.70 140 114 A 64 PHE HD% A 70 PRO HBy 1.0 1.80 4.20 141 115 A 64 PHE HD% A 70 PRO HDy 1.0 1.80 5.53 142 116 A 64 PHE HD% A 70 PRO HGx 1.0 1.80 6.20 143 117 A 64 PHE HD% A 70 PRO HGy 1.0 1.80 4.76 144 118 A 64 PHE HD% A 70 PRO HGy 1.0 1.80 4.50 145 118 A 64 PHE HD% A 70 PRO HGx 1.0 1.80 4.50 146 119 A 64 PHE HD% A 88 TRP HE3 1.0 1.80 5.19 147 120 A 64 PHE HD% A 88 TRP HZ3 1.0 1.80 4.65 148 121 A 64 PHE HD% A 88 TRP HB2 1.0 1.80 6.10 149 121 A 64 PHE HD% A 88 TRP HB3 1.0 1.80 6.10 150 122 A 64 PHE HE% A 68 ILE HG2% 1.0 1.80 5.67 151 123 A 64 PHE HE% A 70 PRO HA 1.0 1.80 4.24 152 124 A 64 PHE HE% A 70 PRO HBx 1.0 1.80 4.83 153 125 A 64 PHE HE% A 70 PRO HBy 1.0 1.80 4.21 154 126 A 64 PHE HE% A 70 PRO HGx 1.0 1.80 6.08 155 127 A 64 PHE HE% A 70 PRO HGy 1.0 1.80 5.11 156 128 A 64 PHE HE% A 70 PRO HGy 1.0 1.80 4.60 157 128 A 64 PHE HE% A 70 PRO HGx 1.0 1.80 4.60 158 129 A 64 PHE HE% A 73 PHE HA 1.0 1.80 6.20 159 130 A 64 PHE HE% A 73 PHE HBy 1.0 1.80 4.11 160 131 A 64 PHE HE% A 73 PHE HD% 1.0 1.80 3.70 161 132 A 64 PHE HE% A 85 LEU HDy% 1.0 1.80 3.93 162 133 A 64 PHE HE% A 88 TRP HZ3 1.0 1.80 4.25 163 134 A 65 PRO HA A 66 SER H 1.0 1.80 3.15 164 135 A 65 PRO HA A 66 SER HBx 1.0 1.80 4.59 165 135 A 65 PRO HA A 66 SER HBy 1.0 1.80 4.59 166 136 A 66 SER H A 65 PRO HBx 1.0 1.80 4.26 167 137 A 67 ASP H A 65 PRO HBx 1.0 1.80 4.01 168 138 A 67 ASP HBy A 65 PRO HBx 1.0 1.80 5.03 169 138 A 65 PRO HBx A 67 ASP HBx 1.0 1.80 5.03 170 139 A 68 ILE HG1x A 65 PRO HBx 1.0 1.80 4.57 171 140 A 88 TRP HE1 A 65 PRO HBx 1.0 1.80 5.30 172 141 A 66 SER H A 65 PRO HBy 1.0 1.80 4.16 173 142 A 67 ASP H A 65 PRO HBy 1.0 1.80 5.02 174 143 A 68 ILE H A 65 PRO HBy 1.0 1.80 5.25 175 144 A 88 TRP HE1 A 65 PRO HBy 1.0 1.80 5.62 176 145 A 65 PRO HDx A 68 ILE H 1.0 1.80 4.77 177 146 A 65 PRO HDx A 68 ILE HB 1.0 1.80 3.74 178 147 A 65 PRO HDx A 68 ILE HG1x 1.0 1.80 4.55 179 148 A 65 PRO HDx A 68 ILE HG2% 1.0 1.80 4.02 180 149 A 65 PRO HDx A 88 TRP HE1 1.0 1.80 6.20 181 150 A 68 ILE HB A 65 PRO HDy 1.0 1.80 5.82 182 151 A 65 PRO HDy A 68 ILE HG1x 1.0 1.80 5.20 183 152 A 68 ILE HG2% A 65 PRO HDy 1.0 1.80 4.89 184 153 A 88 TRP HE1 A 65 PRO HDy 1.0 1.80 5.45 185 154 A 88 TRP HH2 A 65 PRO HDy 1.0 1.80 6.13 186 155 A 65 PRO HDy A 88 TRP HZ2 1.0 1.80 6.20 187 156 A 88 TRP HD1 A 65 PRO HBy 1.0 1.80 6.20 188 156 A 65 PRO HBx A 88 TRP HD1 1.0 1.80 6.20 189 157 A 66 SER H A 65 PRO HG2 1.0 1.80 5.15 190 157 A 65 PRO HG3 A 66 SER H 1.0 1.80 5.15 191 158 A 67 ASP H A 65 PRO HG2 1.0 1.80 4.76 192 158 A 65 PRO HG3 A 67 ASP H 1.0 1.80 4.76 193 159 A 68 ILE H A 65 PRO HG2 1.0 1.80 4.70 194 159 A 65 PRO HG3 A 68 ILE H 1.0 1.80 4.70 195 160 A 68 ILE HA A 65 PRO HG2 1.0 1.80 5.04 196 160 A 65 PRO HG3 A 68 ILE HA 1.0 1.80 5.04 197 161 A 68 ILE HB A 65 PRO HG2 1.0 1.80 3.70 198 161 A 65 PRO HG3 A 68 ILE HB 1.0 1.80 3.70 199 162 A 68 ILE HG1x A 65 PRO HG2 1.0 1.80 3.20 200 162 A 65 PRO HG3 A 68 ILE HG1x 1.0 1.80 3.20 201 163 A 69 ASP H A 65 PRO HG2 1.0 1.80 6.70 202 163 A 65 PRO HG3 A 69 ASP H 1.0 1.80 6.70 203 164 A 88 TRP HD1 A 65 PRO HG2 1.0 1.80 5.69 204 164 A 65 PRO HG3 A 88 TRP HD1 1.0 1.80 5.69 205 165 A 88 TRP HE1 A 65 PRO HG2 1.0 1.80 4.72 206 165 A 65 PRO HG3 A 88 TRP HE1 1.0 1.80 4.72 207 166 A 88 TRP HH2 A 65 PRO HG2 1.0 1.80 5.89 208 166 A 88 TRP HH2 A 65 PRO HG3 1.0 1.80 5.89 209 167 A 66 SER H A 66 SER HBx 1.0 1.80 3.92 210 168 A 66 SER H A 66 SER HBy 1.0 1.80 3.92 211 169 A 66 SER H A 67 ASP HBx 1.0 1.80 4.86 212 169 A 66 SER H A 67 ASP HBy 1.0 1.80 4.86 213 170 A 66 SER HA A 66 SER HBx 1.0 1.80 3.22 214 171 A 66 SER HBy A 66 SER HA 1.0 1.80 3.22 215 172 A 66 SER HA A 66 SER HBx 1.0 1.80 2.73 216 172 A 66 SER HBy A 66 SER HA 1.0 1.80 2.73 217 173 A 67 ASP H A 66 SER HA 1.0 1.80 3.62 218 174 A 67 ASP H A 66 SER HBx 1.0 1.80 4.78 219 175 A 68 ILE H A 66 SER HBx 1.0 1.80 6.20 220 176 A 66 SER HBy A 67 ASP H 1.0 1.80 4.78 221 177 A 66 SER HBy A 68 ILE H 1.0 1.80 6.20 222 178 A 68 ILE H A 66 SER HBx 1.0 1.80 5.43 223 178 A 66 SER HBy A 68 ILE H 1.0 1.80 5.43 224 179 A 67 ASP H A 67 ASP HBx 1.0 1.80 4.02 225 180 A 67 ASP H A 67 ASP HBy 1.0 1.80 4.02 226 181 A 67 ASP H A 67 ASP HBx 1.0 1.80 3.37 227 181 A 67 ASP H A 67 ASP HBy 1.0 1.80 3.37 228 182 A 67 ASP H A 68 ILE H 1.0 1.80 3.48 229 183 A 68 ILE HB A 67 ASP H 1.0 1.80 4.40 230 184 A 67 ASP H A 68 ILE HG1x 1.0 1.80 5.06 231 185 A 67 ASP H A 68 ILE HD1% 1.0 1.80 6.06 232 186 A 67 ASP HA A 67 ASP HBx 1.0 1.80 2.66 233 186 A 67 ASP HBy A 67 ASP HA 1.0 1.80 2.66 234 187 A 68 ILE H A 67 ASP HA 1.0 1.80 3.67 235 188 A 68 ILE HD1% A 67 ASP HA 1.0 1.80 5.47 236 189 A 68 ILE H A 67 ASP HBx 1.0 1.80 4.59 237 189 A 67 ASP HBy A 68 ILE H 1.0 1.80 4.59 238 190 A 68 ILE HB A 68 ILE H 1.0 1.80 3.25 239 191 A 68 ILE HG1x A 68 ILE H 1.0 1.80 3.68 240 192 A 68 ILE HG2% A 68 ILE H 1.0 1.80 4.19 241 193 A 68 ILE H A 69 ASP H 1.0 1.80 5.14 242 194 A 68 ILE HA A 68 ILE HG1x 1.0 1.80 3.44 243 195 A 68 ILE HA A 68 ILE HD1% 1.0 1.80 3.32 244 196 A 68 ILE HG2% A 68 ILE HA 1.0 1.80 3.21 245 197 A 68 ILE HA A 69 ASP H 1.0 1.80 2.90 246 198 A 68 ILE HA A 69 ASP HBx 1.0 1.80 4.53 247 199 A 68 ILE HA A 69 ASP HBy 1.0 1.80 5.99 248 200 A 68 ILE HB A 68 ILE HG1x 1.0 1.80 3.01 249 201 A 68 ILE HB A 68 ILE HD1% 1.0 1.80 3.55 250 202 A 68 ILE HB A 69 ASP H 1.0 1.80 4.49 251 203 A 68 ILE HB A 88 TRP HZ2 1.0 1.80 6.20 252 204 A 68 ILE HG1x A 69 ASP H 1.0 1.80 5.02 253 205 A 68 ILE HG1y A 69 ASP H 1.0 1.80 6.20 254 206 A 73 PHE HE% A 68 ILE HG1y 1.0 1.80 5.15 255 207 A 88 TRP HH2 A 68 ILE HG1y 1.0 1.80 6.07 256 208 A 68 ILE HG1y A 88 TRP HZ2 1.0 1.80 4.37 257 209 A 73 PHE HA A 68 ILE HD1% 1.0 1.80 4.71 258 210 A 73 PHE HD% A 68 ILE HD1% 1.0 1.80 3.78 259 211 A 73 PHE HE% A 68 ILE HD1% 1.0 1.80 4.35 260 212 A 88 TRP HH2 A 68 ILE HD1% 1.0 1.80 4.37 261 213 A 88 TRP HZ2 A 68 ILE HD1% 1.0 1.80 3.30 262 214 A 68 ILE HG2% A 68 ILE HG1x 1.0 1.80 3.87 263 215 A 68 ILE HG2% A 68 ILE HG1y 1.0 1.80 3.56 264 216 A 68 ILE HG2% A 69 ASP H 1.0 1.80 3.68 265 217 A 68 ILE HG2% A 70 PRO HA 1.0 1.80 4.48 266 218 A 68 ILE HG2% A 73 PHE H 1.0 1.80 4.12 267 219 A 68 ILE HG2% A 73 PHE HA 1.0 1.80 4.10 268 220 A 68 ILE HG2% A 73 PHE HBx 1.0 1.80 3.60 269 221 A 73 PHE HD% A 68 ILE HG2% 1.0 1.80 3.20 270 222 A 73 PHE HE% A 68 ILE HG2% 1.0 1.80 4.10 271 223 A 68 ILE HG2% A 74 TYR H 1.0 1.80 5.94 272 224 A 88 TRP HH2 A 68 ILE HG2% 1.0 1.80 3.12 273 225 A 68 ILE HG2% A 88 TRP HZ2 1.0 1.80 3.21 274 226 A 88 TRP HZ3 A 68 ILE HG2% 1.0 1.80 4.72 275 227 A 69 ASP H A 69 ASP HBx 1.0 1.80 3.32 276 228 A 69 ASP H A 69 ASP HBy 1.0 1.80 3.23 277 229 A 70 PRO HDy A 69 ASP H 1.0 1.80 5.23 278 230 A 69 ASP H A 72 VAL H 1.0 1.80 5.48 279 231 A 69 ASP H A 72 VAL HB 1.0 1.80 4.30 280 232 A 69 ASP H A 72 VAL HGx% 1.0 1.80 4.71 281 233 A 69 ASP H A 72 VAL HGy% 1.0 1.80 5.01 282 234 A 69 ASP H A 73 PHE H 1.0 1.80 5.06 283 235 A 69 ASP HBx A 69 ASP HA 1.0 1.80 2.95 284 236 A 69 ASP HA A 70 PRO HDx 1.0 1.80 2.57 285 237 A 70 PRO HDy A 69 ASP HA 1.0 1.80 2.66 286 238 A 70 PRO HGx A 69 ASP HA 1.0 1.80 4.67 287 239 A 69 ASP HA A 70 PRO HGy 1.0 1.80 4.84 288 240 A 69 ASP HBx A 70 PRO HDx 1.0 1.80 4.25 289 241 A 70 PRO HDy A 69 ASP HBx 1.0 1.80 4.80 290 242 A 69 ASP HBx A 71 GLN H 1.0 1.80 5.09 291 243 A 69 ASP HBx A 72 VAL H 1.0 1.80 4.75 292 244 A 69 ASP HBx A 72 VAL HGy% 1.0 1.80 3.31 293 245 A 69 ASP HBx A 73 PHE H 1.0 1.80 5.72 294 246 A 69 ASP HBy A 70 PRO HDx 1.0 1.80 4.59 295 247 A 70 PRO HDy A 69 ASP HBy 1.0 1.80 5.10 296 248 A 69 ASP HBy A 71 GLN H 1.0 1.80 4.36 297 249 A 69 ASP HBy A 71 GLN HB2 1.0 1.80 4.96 298 249 A 69 ASP HBy A 71 GLN HB3 1.0 1.80 4.96 299 250 A 69 ASP HBy A 72 VAL H 1.0 1.80 3.87 300 251 A 69 ASP HBy A 72 VAL HB 1.0 1.80 3.29 301 252 A 69 ASP HBy A 72 VAL HGy% 1.0 1.80 2.86 302 253 A 70 PRO HA A 71 GLN H 1.0 1.80 3.74 303 254 A 70 PRO HA A 73 PHE H 1.0 1.80 3.99 304 255 A 70 PRO HA A 73 PHE HBx 1.0 1.80 3.59 305 256 A 70 PRO HA A 73 PHE HBy 1.0 1.80 3.28 306 257 A 73 PHE HD% A 70 PRO HA 1.0 1.80 4.75 307 258 A 70 PRO HA A 74 TYR H 1.0 1.80 4.36 308 259 A 74 TYR HD% A 70 PRO HA 1.0 1.80 5.04 309 260 A 74 TYR HE% A 70 PRO HA 1.0 1.80 5.27 310 261 A 70 PRO HBx A 71 GLN H 1.0 1.80 3.64 311 262 A 74 TYR HD% A 70 PRO HBx 1.0 1.80 4.33 312 263 A 74 TYR HE% A 70 PRO HBx 1.0 1.80 4.00 313 264 A 70 PRO HDx A 71 GLN H 1.0 1.80 4.43 314 265 A 72 VAL H A 70 PRO HDx 1.0 1.80 5.94 315 266 A 70 PRO HDy A 71 GLN H 1.0 1.80 4.70 316 267 A 70 PRO HGx A 71 GLN H 1.0 1.80 4.03 317 268 A 74 TYR HE% A 70 PRO HGx 1.0 1.80 6.20 318 269 A 71 GLN H A 70 PRO HGy 1.0 1.80 5.11 319 270 A 71 GLN H A 71 GLN HGx 1.0 1.80 4.60 320 271 A 71 GLN H A 71 GLN HGy 1.0 1.80 4.39 321 272 A 71 GLN H A 71 GLN HB2 1.0 1.80 3.09 322 272 A 71 GLN H A 71 GLN HB3 1.0 1.80 3.09 323 273 A 72 VAL H A 71 GLN H 1.0 1.80 3.23 324 274 A 72 VAL HGy% A 71 GLN H 1.0 1.80 4.65 325 275 A 73 PHE H A 71 GLN H 1.0 1.80 4.03 326 276 A 71 GLN HA A 71 GLN HGx 1.0 1.80 4.36 327 277 A 71 GLN HA A 71 GLN HGy 1.0 1.80 4.36 328 278 A 71 GLN HA A 71 GLN HB2 1.0 1.80 2.80 329 278 A 71 GLN HB3 A 71 GLN HA 1.0 1.80 2.80 330 279 A 71 GLN HA A 71 GLN HGy 1.0 1.80 3.70 331 279 A 71 GLN HA A 71 GLN HGx 1.0 1.80 3.70 332 280 A 74 TYR H A 71 GLN HA 1.0 1.80 4.42 333 281 A 71 GLN HA A 74 TYR HBx 1.0 1.80 3.78 334 282 A 74 TYR HD% A 71 GLN HA 1.0 1.80 3.66 335 283 A 74 TYR HE% A 71 GLN HA 1.0 1.80 6.00 336 284 A 71 GLN HA A 75 GLU H 1.0 1.80 5.15 337 285 A 71 GLN HB3 A 71 GLN HGx 1.0 1.80 3.05 338 285 A 71 GLN HGx A 71 GLN HB2 1.0 1.80 3.05 339 286 A 71 GLN HB2 A 71 GLN HGy 1.0 1.80 3.05 340 286 A 71 GLN HB3 A 71 GLN HGy 1.0 1.80 3.05 341 287 A 72 VAL H A 71 GLN HB2 1.0 1.80 3.79 342 287 A 72 VAL H A 71 GLN HB3 1.0 1.80 3.79 343 288 A 72 VAL H A 71 GLN HGy 1.0 1.80 5.07 344 288 A 72 VAL H A 71 GLN HGx 1.0 1.80 5.07 345 289 A 72 VAL HGy% A 71 GLN HGy 1.0 1.80 4.98 346 289 A 72 VAL HGy% A 71 GLN HGx 1.0 1.80 4.98 347 290 A 72 VAL H A 72 VAL HB 1.0 1.80 3.17 348 291 A 72 VAL H A 72 VAL HGy% 1.0 1.80 3.27 349 292 A 73 PHE H A 72 VAL H 1.0 1.80 3.24 350 293 A 74 TYR H A 72 VAL H 1.0 1.80 4.71 351 294 A 72 VAL HGx% A 72 VAL HA 1.0 1.80 2.88 352 295 A 72 VAL HGy% A 72 VAL HA 1.0 1.80 2.77 353 296 A 75 GLU H A 72 VAL HA 1.0 1.80 4.20 354 297 A 72 VAL HA A 75 GLU HBx 1.0 1.80 3.04 355 297 A 72 VAL HA A 75 GLU HBy 1.0 1.80 3.04 356 298 A 72 VAL HA A 75 GLU HGx 1.0 1.80 4.30 357 298 A 72 VAL HA A 75 GLU HGy 1.0 1.80 4.30 358 299 A 73 PHE H A 72 VAL HB 1.0 1.80 3.36 359 300 A 74 TYR H A 72 VAL HB 1.0 1.80 6.20 360 301 A 73 PHE H A 72 VAL HGx% 1.0 1.80 4.14 361 302 A 73 PHE HA A 72 VAL HGx% 1.0 1.80 3.98 362 303 A 74 TYR H A 72 VAL HGx% 1.0 1.80 5.75 363 304 A 72 VAL HGx% A 75 GLU H 1.0 1.80 4.94 364 305 A 73 PHE H A 73 PHE HBx 1.0 1.80 3.24 365 306 A 73 PHE HBy A 73 PHE H 1.0 1.80 3.21 366 307 A 73 PHE HD% A 73 PHE H 1.0 1.80 4.58 367 308 A 73 PHE H A 74 TYR H 1.0 1.80 3.12 368 309 A 73 PHE H A 75 GLU H 1.0 1.80 4.89 369 310 A 73 PHE HA A 73 PHE HBx 1.0 1.80 3.07 370 311 A 73 PHE HD% A 73 PHE HA 1.0 1.80 3.35 371 312 A 73 PHE HE% A 73 PHE HA 1.0 1.80 4.83 372 313 A 73 PHE HA A 75 GLU H 1.0 1.80 4.60 373 314 A 73 PHE HA A 76 LEU H 1.0 1.80 4.82 374 315 A 73 PHE HA A 76 LEU HBx 1.0 1.80 3.88 375 316 A 73 PHE HA A 76 LEU HBy 1.0 1.80 5.50 376 317 A 73 PHE HA A 76 LEU HG 1.0 1.80 3.61 377 318 A 73 PHE HA A 76 LEU HDx% 1.0 1.80 3.02 378 319 A 73 PHE HBx A 74 TYR H 1.0 1.80 3.94 379 320 A 73 PHE HBx A 76 LEU HDx% 1.0 1.80 5.05 380 321 A 88 TRP HH2 A 73 PHE HBx 1.0 1.80 6.20 381 322 A 73 PHE HBy A 74 TYR H 1.0 1.80 3.39 382 323 A 74 TYR HD% A 73 PHE HBy 1.0 1.80 4.57 383 324 A 73 PHE HZ A 81 GLN HA 1.0 1.80 3.64 384 325 A 73 PHE HZ A 81 GLN HBy 1.0 1.80 5.30 385 326 A 73 PHE HZ A 81 GLN HGx 1.0 1.80 4.68 386 327 A 73 PHE HZ A 81 GLN HGy 1.0 1.80 3.42 387 328 A 73 PHE HZ A 84 LEU HBx 1.0 1.80 3.75 388 329 A 73 PHE HZ A 84 LEU HDx% 1.0 1.80 3.98 389 330 A 73 PHE HZ A 85 LEU H 1.0 1.80 4.12 390 331 A 73 PHE HZ A 85 LEU HA 1.0 1.80 4.52 391 332 A 73 PHE HZ A 85 LEU HBx 1.0 1.80 4.69 392 333 A 73 PHE HZ A 85 LEU HBy 1.0 1.80 6.20 393 334 A 73 PHE HZ A 85 LEU HG 1.0 1.80 2.20 394 335 A 85 LEU HDx% A 73 PHE HZ 1.0 1.80 3.50 395 336 A 73 PHE HZ A 85 LEU HDy% 1.0 1.80 3.54 396 337 A 88 TRP HZ3 A 73 PHE HZ 1.0 1.80 4.71 397 338 A 73 PHE HD% A 73 PHE HZ 1.0 1.80 4.23 398 339 A 73 PHE HD% A 74 TYR H 1.0 1.80 4.15 399 340 A 73 PHE HD% A 74 TYR HA 1.0 1.80 5.29 400 341 A 73 PHE HD% A 75 GLU H 1.0 1.80 6.18 401 342 A 73 PHE HD% A 76 LEU H 1.0 1.80 5.65 402 343 A 73 PHE HD% A 76 LEU HBx 1.0 1.80 4.91 403 344 A 73 PHE HD% A 76 LEU HG 1.0 1.80 5.42 404 345 A 73 PHE HD% A 76 LEU HDx% 1.0 1.80 3.54 405 346 A 73 PHE HD% A 76 LEU HDy% 1.0 1.80 5.99 406 347 A 73 PHE HD% A 81 GLN HA 1.0 1.80 5.24 407 348 A 73 PHE HD% A 81 GLN HGy 1.0 1.80 4.33 408 349 A 73 PHE HD% A 84 LEU HBx 1.0 1.80 5.39 409 350 A 73 PHE HD% A 84 LEU HBy 1.0 1.80 6.20 410 351 A 73 PHE HD% A 84 LEU HDx% 1.0 1.80 3.57 411 352 A 73 PHE HD% A 85 LEU HG 1.0 1.80 6.01 412 353 A 73 PHE HD% A 85 LEU HDy% 1.0 1.80 4.80 413 354 A 73 PHE HD% A 88 TRP HH2 1.0 1.80 3.76 414 355 A 73 PHE HE% A 76 LEU HDx% 1.0 1.80 4.04 415 356 A 73 PHE HE% A 81 GLN HA 1.0 1.80 3.84 416 357 A 73 PHE HE% A 81 GLN HBy 1.0 1.80 5.41 417 358 A 73 PHE HE% A 81 GLN HGx 1.0 1.80 4.34 418 359 A 73 PHE HE% A 81 GLN HGy 1.0 1.80 3.73 419 360 A 73 PHE HE% A 84 LEU HBx 1.0 1.80 3.17 420 361 A 73 PHE HE% A 84 LEU HBy 1.0 1.80 3.02 421 362 A 73 PHE HE% A 84 LEU HG 1.0 1.80 4.54 422 363 A 73 PHE HE% A 84 LEU HDx% 1.0 1.80 2.95 423 364 A 73 PHE HE% A 84 LEU HDy% 1.0 1.80 4.22 424 365 A 73 PHE HE% A 85 LEU HBy 1.0 1.80 6.20 425 366 A 73 PHE HE% A 85 LEU HG 1.0 1.80 3.99 426 367 A 73 PHE HE% A 85 LEU HDx% 1.0 1.80 3.32 427 368 A 73 PHE HE% A 85 LEU HDy% 1.0 1.80 3.21 428 369 A 88 TRP HZ3 A 73 PHE HE% 1.0 1.80 4.40 429 370 A 74 TYR H A 74 TYR HBx 1.0 1.80 3.48 430 371 A 74 TYR H A 74 TYR HBy 1.0 1.80 3.86 431 372 A 74 TYR HD% A 74 TYR H 1.0 1.80 3.88 432 373 A 74 TYR H A 75 GLU H 1.0 1.80 3.57 433 374 A 74 TYR H A 75 GLU HBx 1.0 1.80 4.73 434 374 A 74 TYR H A 75 GLU HBy 1.0 1.80 4.73 435 375 A 74 TYR HA A 74 TYR HBy 1.0 1.80 2.96 436 376 A 74 TYR HD% A 74 TYR HA 1.0 1.80 2.87 437 377 A 74 TYR HE% A 74 TYR HA 1.0 1.80 4.58 438 378 A 76 LEU H A 74 TYR HA 1.0 1.80 4.90 439 379 A 74 TYR HA A 81 GLN HE2y 1.0 1.80 4.14 440 380 A 74 TYR HA A 81 GLN HE2x 1.0 1.80 3.78 441 381 A 74 TYR HBx A 75 GLU H 1.0 1.80 4.11 442 382 A 75 GLU H A 74 TYR HBy 1.0 1.80 4.62 443 383 A 76 LEU H A 74 TYR HBy 1.0 1.80 6.20 444 384 A 74 TYR HD% A 81 GLN HE2x 1.0 1.80 3.77 445 385 A 75 GLU H A 75 GLU HBx 1.0 1.80 3.83 446 386 A 75 GLU H A 75 GLU HBy 1.0 1.80 3.83 447 387 A 75 GLU H A 75 GLU HGx 1.0 1.80 4.71 448 388 A 75 GLU H A 75 GLU HGy 1.0 1.80 4.71 449 389 A 75 GLU H A 75 GLU HBx 1.0 1.80 3.05 450 389 A 75 GLU H A 75 GLU HBy 1.0 1.80 3.05 451 390 A 75 GLU H A 75 GLU HGx 1.0 1.80 4.03 452 390 A 75 GLU H A 75 GLU HGy 1.0 1.80 4.03 453 391 A 75 GLU H A 76 LEU HA 1.0 1.80 5.44 454 392 A 75 GLU H A 76 LEU HBx 1.0 1.80 4.83 455 393 A 75 GLU H A 81 GLN HE2x 1.0 1.80 6.20 456 394 A 75 GLU HA A 75 GLU HGx 1.0 1.80 3.98 457 395 A 75 GLU HGy A 75 GLU HA 1.0 1.80 3.98 458 396 A 75 GLU HA A 75 GLU HBx 1.0 1.80 2.73 459 396 A 75 GLU HBy A 75 GLU HA 1.0 1.80 2.73 460 397 A 75 GLU HA A 75 GLU HGx 1.0 1.80 3.12 461 397 A 75 GLU HGy A 75 GLU HA 1.0 1.80 3.12 462 398 A 76 LEU H A 75 GLU HA 1.0 1.80 3.71 463 399 A 75 GLU HBx A 75 GLU HGx 1.0 1.80 2.49 464 399 A 75 GLU HBy A 75 GLU HGx 1.0 1.80 2.49 465 399 A 75 GLU HGy A 75 GLU HBx 1.0 1.80 2.49 466 399 A 75 GLU HBy A 75 GLU HGy 1.0 1.80 2.49 467 400 A 76 LEU H A 75 GLU HGx 1.0 1.80 5.30 468 400 A 75 GLU HGy A 76 LEU H 1.0 1.80 5.30 469 401 A 76 LEU H A 76 LEU HBx 1.0 1.80 3.22 470 402 A 76 LEU H A 76 LEU HBy 1.0 1.80 3.89 471 403 A 76 LEU H A 76 LEU HG 1.0 1.80 3.10 472 404 A 76 LEU H A 76 LEU HDx% 1.0 1.80 4.11 473 405 A 76 LEU H A 76 LEU HDy% 1.0 1.80 3.98 474 406 A 76 LEU H A 77 PRO HDx 1.0 1.80 6.20 475 407 A 76 LEU H A 81 GLN HE2x 1.0 1.80 5.98 476 408 A 76 LEU HBy A 76 LEU HA 1.0 1.80 3.02 477 409 A 76 LEU HG A 76 LEU HA 1.0 1.80 3.40 478 410 A 76 LEU HDx% A 76 LEU HA 1.0 1.80 4.10 479 411 A 76 LEU HDy% A 76 LEU HA 1.0 1.80 2.77 480 412 A 76 LEU HA A 77 PRO HDx 1.0 1.80 2.96 481 413 A 76 LEU HA A 77 PRO HDy 1.0 1.80 2.64 482 414 A 76 LEU HA A 77 PRO HG2 1.0 1.80 4.35 483 414 A 76 LEU HA A 77 PRO HG3 1.0 1.80 4.35 484 415 A 76 LEU HA A 80 VAL HGy% 1.0 1.80 5.56 485 415 A 76 LEU HA A 80 VAL HGx% 1.0 1.80 5.56 486 416 A 76 LEU HBx A 76 LEU HG 1.0 1.80 2.86 487 417 A 76 LEU HBx A 76 LEU HDx% 1.0 1.80 2.81 488 418 A 76 LEU HBx A 76 LEU HDy% 1.0 1.80 3.50 489 419 A 76 LEU HBx A 77 PRO HDx 1.0 1.80 3.90 490 420 A 76 LEU HBx A 81 GLN HE2y 1.0 1.80 4.36 491 421 A 76 LEU HBx A 81 GLN HE2x 1.0 1.80 5.35 492 422 A 76 LEU HBy A 76 LEU HDx% 1.0 1.80 3.05 493 423 A 76 LEU HBy A 76 LEU HDy% 1.0 1.80 2.68 494 424 A 76 LEU HBy A 77 PRO HA 1.0 1.80 5.45 495 425 A 76 LEU HBy A 77 PRO HDx 1.0 1.80 2.85 496 426 A 76 LEU HBy A 77 PRO HDy 1.0 1.80 3.68 497 427 A 76 LEU HBy A 81 GLN HA 1.0 1.80 5.01 498 428 A 76 LEU HDx% A 77 PRO HDx 1.0 1.80 4.19 499 429 A 76 LEU HDx% A 77 PRO HDy 1.0 1.80 5.22 500 430 A 76 LEU HDx% A 81 GLN HA 1.0 1.80 4.40 501 431 A 76 LEU HDy% A 77 PRO HDx 1.0 1.80 3.32 502 432 A 76 LEU HDy% A 77 PRO HDy 1.0 1.80 3.24 503 433 A 77 PRO HA A 78 GLU H 1.0 1.80 3.15 504 434 A 77 PRO HA A 78 GLU HA 1.0 1.80 4.53 505 435 A 77 PRO HA A 79 ALA H 1.0 1.80 5.38 506 436 A 77 PRO HA A 80 VAL H 1.0 1.80 5.26 507 437 A 77 PRO HA A 80 VAL HGy% 1.0 1.80 5.71 508 437 A 80 VAL HGx% A 77 PRO HA 1.0 1.80 5.71 509 438 A 77 PRO HA A 81 GLN H 1.0 1.80 6.12 510 439 A 78 GLU H A 77 PRO HBx 1.0 1.80 4.46 511 440 A 79 ALA H A 77 PRO HBx 1.0 1.80 4.06 512 441 A 80 VAL H A 77 PRO HBx 1.0 1.80 3.39 513 442 A 77 PRO HBx A 80 VAL HGy% 1.0 1.80 3.67 514 442 A 80 VAL HGx% A 77 PRO HBx 1.0 1.80 3.67 515 443 A 78 GLU H A 77 PRO HBy 1.0 1.80 4.45 516 444 A 79 ALA H A 77 PRO HBy 1.0 1.80 5.00 517 445 A 77 PRO HBy A 79 ALA HB% 1.0 1.80 5.05 518 446 A 80 VAL H A 77 PRO HBy 1.0 1.80 4.95 519 447 A 77 PRO HBy A 80 VAL HGy% 1.0 1.80 4.38 520 447 A 80 VAL HGx% A 77 PRO HBy 1.0 1.80 4.38 521 448 A 77 PRO HDx A 80 VAL H 1.0 1.80 5.03 522 449 A 77 PRO HDx A 80 VAL HB 1.0 1.80 3.64 523 450 A 77 PRO HDx A 80 VAL HGx% 1.0 1.80 4.39 524 451 A 77 PRO HDx A 80 VAL HGy% 1.0 1.80 4.39 525 452 A 77 PRO HDx A 80 VAL HGy% 1.0 1.80 3.88 526 452 A 77 PRO HDx A 80 VAL HGx% 1.0 1.80 3.88 527 453 A 77 PRO HDx A 81 GLN H 1.0 1.80 5.10 528 454 A 77 PRO HDy A 80 VAL HB 1.0 1.80 4.75 529 455 A 77 PRO HDy A 80 VAL HGy% 1.0 1.80 4.07 530 455 A 77 PRO HDy A 80 VAL HGx% 1.0 1.80 4.07 531 456 A 79 ALA H A 77 PRO HG2 1.0 1.80 5.20 532 456 A 77 PRO HG3 A 79 ALA H 1.0 1.80 5.20 533 457 A 80 VAL H A 77 PRO HG2 1.0 1.80 4.37 534 457 A 77 PRO HG3 A 80 VAL H 1.0 1.80 4.37 535 458 A 77 PRO HG3 A 80 VAL HGy% 1.0 1.80 2.81 536 458 A 77 PRO HG2 A 80 VAL HGy% 1.0 1.80 2.81 537 458 A 80 VAL HGx% A 77 PRO HG2 1.0 1.80 2.81 538 458 A 77 PRO HG3 A 80 VAL HGx% 1.0 1.80 2.81 539 459 A 78 GLU H A 78 GLU HBx 1.0 1.80 3.87 540 460 A 78 GLU H A 78 GLU HBy 1.0 1.80 3.87 541 461 A 78 GLU H A 78 GLU HGx 1.0 1.80 4.68 542 461 A 78 GLU H A 78 GLU HGy 1.0 1.80 4.68 543 462 A 78 GLU HA A 78 GLU HGx 1.0 1.80 3.98 544 463 A 78 GLU HA A 78 GLU HGy 1.0 1.80 3.98 545 464 A 78 GLU HA A 78 GLU HGx 1.0 1.80 3.22 546 464 A 78 GLU HA A 78 GLU HGy 1.0 1.80 3.22 547 465 A 78 GLU HA A 81 GLN H 1.0 1.80 3.82 548 466 A 78 GLU HA A 81 GLN HBx 1.0 1.80 3.43 549 467 A 81 GLN HBy A 78 GLU HA 1.0 1.80 2.96 550 468 A 81 GLN HE2y A 78 GLU HA 1.0 1.80 4.92 551 469 A 81 GLN HE2x A 78 GLU HA 1.0 1.80 5.43 552 470 A 81 GLN HGx A 78 GLU HA 1.0 1.80 4.58 553 471 A 81 GLN HGy A 78 GLU HA 1.0 1.80 5.40 554 472 A 78 GLU HA A 82 LYS H 1.0 1.80 4.80 555 473 A 78 GLU HA A 82 LYS HD2 1.0 1.80 3.94 556 473 A 78 GLU HA A 82 LYS HD3 1.0 1.80 3.94 557 474 A 78 GLU HBy A 78 GLU HGx 1.0 1.80 2.50 558 474 A 78 GLU HGy A 78 GLU HBx 1.0 1.80 2.50 559 474 A 78 GLU HGy A 78 GLU HBy 1.0 1.80 2.50 560 474 A 78 GLU HBx A 78 GLU HGx 1.0 1.80 2.50 561 475 A 79 ALA H A 78 GLU HBx 1.0 1.80 3.54 562 475 A 79 ALA H A 78 GLU HBy 1.0 1.80 3.54 563 476 A 78 GLU HBx A 82 LYS HE2 1.0 1.80 5.26 564 476 A 78 GLU HBy A 82 LYS HE2 1.0 1.80 5.26 565 476 A 82 LYS HE3 A 78 GLU HBx 1.0 1.80 5.26 566 476 A 78 GLU HBy A 82 LYS HE3 1.0 1.80 5.26 567 477 A 79 ALA H A 79 ALA HB% 1.0 1.80 3.15 568 478 A 79 ALA H A 80 VAL H 1.0 1.80 3.65 569 479 A 79 ALA H A 80 VAL HGy% 1.0 1.80 5.08 570 479 A 80 VAL HGx% A 79 ALA H 1.0 1.80 5.08 571 480 A 79 ALA H A 81 GLN H 1.0 1.80 5.46 572 481 A 81 GLN H A 79 ALA HA 1.0 1.80 5.05 573 482 A 82 LYS H A 79 ALA HA 1.0 1.80 4.35 574 483 A 79 ALA HA A 82 LYS HGx 1.0 1.80 4.96 575 484 A 79 ALA HA A 82 LYS HB2 1.0 1.80 3.73 576 484 A 79 ALA HA A 82 LYS HB3 1.0 1.80 3.73 577 485 A 79 ALA HA A 82 LYS HD2 1.0 1.80 3.57 578 485 A 82 LYS HD3 A 79 ALA HA 1.0 1.80 3.57 579 486 A 80 VAL H A 79 ALA HB% 1.0 1.80 3.60 580 487 A 79 ALA HB% A 80 VAL HA 1.0 1.80 4.27 581 488 A 81 GLN H A 79 ALA HB% 1.0 1.80 4.86 582 489 A 80 VAL H A 80 VAL HB 1.0 1.80 3.03 583 490 A 80 VAL H A 80 VAL HGy% 1.0 1.80 3.10 584 490 A 80 VAL HGx% A 80 VAL H 1.0 1.80 3.10 585 491 A 80 VAL H A 81 GLN H 1.0 1.80 3.17 586 492 A 81 GLN HA A 80 VAL H 1.0 1.80 5.33 587 493 A 80 VAL H A 82 LYS H 1.0 1.80 4.83 588 494 A 80 VAL H A 83 GLU HGx 1.0 1.80 5.34 589 494 A 80 VAL H A 83 GLU HGy 1.0 1.80 5.34 590 495 A 80 VAL HGx% A 80 VAL HA 1.0 1.80 3.11 591 496 A 80 VAL HA A 80 VAL HGy% 1.0 1.80 3.11 592 497 A 80 VAL HA A 80 VAL HGy% 1.0 1.80 2.67 593 497 A 80 VAL HGx% A 80 VAL HA 1.0 1.80 2.67 594 498 A 82 LYS H A 80 VAL HA 1.0 1.80 5.05 595 499 A 80 VAL HA A 83 GLU H 1.0 1.80 3.78 596 500 A 80 VAL HA A 83 GLU HBx 1.0 1.80 3.46 597 501 A 80 VAL HA A 83 GLU HGx 1.0 1.80 5.11 598 502 A 80 VAL HA A 83 GLU HGy 1.0 1.80 4.21 599 503 A 80 VAL HA A 83 GLU HGx 1.0 1.80 3.90 600 503 A 80 VAL HA A 83 GLU HGy 1.0 1.80 3.90 601 504 A 80 VAL HGx% A 81 GLN H 1.0 1.80 4.68 602 505 A 81 GLN H A 80 VAL HGy% 1.0 1.80 4.68 603 506 A 81 GLN H A 80 VAL HGy% 1.0 1.80 4.11 604 506 A 80 VAL HGx% A 81 GLN H 1.0 1.80 4.11 605 507 A 82 LYS H A 80 VAL HGy% 1.0 1.80 5.05 606 507 A 80 VAL HGx% A 82 LYS H 1.0 1.80 5.05 607 508 A 83 GLU H A 80 VAL HGy% 1.0 1.80 4.81 608 508 A 80 VAL HGx% A 83 GLU H 1.0 1.80 4.81 609 509 A 83 GLU HBx A 80 VAL HGy% 1.0 1.80 4.10 610 509 A 80 VAL HGx% A 83 GLU HBx 1.0 1.80 4.10 611 510 A 83 GLU HBy A 80 VAL HGy% 1.0 1.80 4.97 612 510 A 80 VAL HGx% A 83 GLU HBy 1.0 1.80 4.97 613 511 A 80 VAL HGx% A 83 GLU HGx 1.0 1.80 4.50 614 511 A 83 GLU HGy A 80 VAL HGy% 1.0 1.80 4.50 615 511 A 80 VAL HGx% A 83 GLU HGy 1.0 1.80 4.50 616 511 A 80 VAL HGy% A 83 GLU HGx 1.0 1.80 4.50 617 512 A 84 LEU H A 80 VAL HGy% 1.0 1.80 4.73 618 512 A 80 VAL HGx% A 84 LEU H 1.0 1.80 4.73 619 513 A 81 GLN H A 81 GLN HBx 1.0 1.80 2.98 620 514 A 81 GLN HBy A 81 GLN H 1.0 1.80 3.21 621 515 A 81 GLN HE2y A 81 GLN H 1.0 1.80 5.70 622 516 A 81 GLN H A 82 LYS HA 1.0 1.80 5.55 623 517 A 81 GLN H A 82 LYS HD2 1.0 1.80 4.14 624 517 A 81 GLN H A 82 LYS HD3 1.0 1.80 4.14 625 518 A 81 GLN H A 83 GLU H 1.0 1.80 4.66 626 519 A 81 GLN H A 84 LEU HDx% 1.0 1.80 4.98 627 520 A 81 GLN HA A 81 GLN HBx 1.0 1.80 3.02 628 521 A 81 GLN HA A 81 GLN HE2y 1.0 1.80 4.86 629 522 A 81 GLN HA A 81 GLN HE2x 1.0 1.80 6.20 630 523 A 81 GLN HA A 81 GLN HGx 1.0 1.80 3.76 631 524 A 81 GLN HA A 81 GLN HGy 1.0 1.80 3.02 632 525 A 81 GLN HA A 83 GLU H 1.0 1.80 5.30 633 526 A 81 GLN HA A 84 LEU H 1.0 1.80 4.31 634 527 A 81 GLN HA A 84 LEU HBx 1.0 1.80 3.43 635 528 A 81 GLN HA A 84 LEU HBy 1.0 1.80 4.92 636 529 A 81 GLN HA A 85 LEU H 1.0 1.80 4.97 637 530 A 81 GLN HE2y A 81 GLN HBx 1.0 1.80 3.65 638 531 A 81 GLN HE2x A 81 GLN HBx 1.0 1.80 3.91 639 532 A 81 GLN HGy A 81 GLN HBx 1.0 1.80 3.00 640 533 A 81 GLN HBy A 81 GLN HE2y 1.0 1.80 4.40 641 534 A 81 GLN HBy A 81 GLN HE2x 1.0 1.80 4.84 642 535 A 81 GLN HBy A 81 GLN HGx 1.0 1.80 2.61 643 536 A 81 GLN HBy A 81 GLN HGy 1.0 1.80 3.20 644 537 A 81 GLN HBy A 82 LYS H 1.0 1.80 3.17 645 538 A 81 GLN HBy A 82 LYS HA 1.0 1.80 4.89 646 539 A 85 LEU HDx% A 81 GLN HE2y 1.0 1.80 5.13 647 540 A 85 LEU HDx% A 81 GLN HGx 1.0 1.80 2.78 648 541 A 81 GLN HGy A 81 GLN HE2x 1.0 1.80 4.29 649 542 A 81 GLN HGy A 85 LEU HG 1.0 1.80 3.25 650 543 A 82 LYS H A 82 LYS HGy 1.0 1.80 4.27 651 544 A 82 LYS H A 82 LYS HB2 1.0 1.80 2.91 652 544 A 82 LYS H A 82 LYS HB3 1.0 1.80 2.91 653 545 A 82 LYS H A 82 LYS HD2 1.0 1.80 3.27 654 545 A 82 LYS H A 82 LYS HD3 1.0 1.80 3.27 655 546 A 82 LYS H A 82 LYS HE2 1.0 1.80 5.89 656 546 A 82 LYS H A 82 LYS HE3 1.0 1.80 5.89 657 547 A 82 LYS H A 83 GLU H 1.0 1.80 3.30 658 548 A 82 LYS H A 83 GLU HGx 1.0 1.80 5.81 659 548 A 82 LYS H A 83 GLU HGy 1.0 1.80 5.81 660 549 A 82 LYS H A 84 LEU H 1.0 1.80 4.14 661 550 A 82 LYS H A 84 LEU HDx% 1.0 1.80 5.84 662 551 A 85 LEU HDx% A 82 LYS H 1.0 1.80 5.30 663 552 A 82 LYS HGx A 82 LYS HA 1.0 1.80 4.00 664 553 A 82 LYS HA A 82 LYS HGy 1.0 1.80 3.06 665 554 A 82 LYS HA A 82 LYS HB2 1.0 1.80 2.75 666 554 A 82 LYS HB3 A 82 LYS HA 1.0 1.80 2.75 667 555 A 82 LYS HA A 82 LYS HD2 1.0 1.80 3.13 668 555 A 82 LYS HD3 A 82 LYS HA 1.0 1.80 3.13 669 556 A 82 LYS HA A 82 LYS HE2 1.0 1.80 4.65 670 556 A 82 LYS HE3 A 82 LYS HA 1.0 1.80 4.65 671 557 A 84 LEU H A 82 LYS HA 1.0 1.80 4.95 672 558 A 84 LEU HG A 82 LYS HA 1.0 1.80 6.70 673 559 A 85 LEU H A 82 LYS HA 1.0 1.80 3.81 674 560 A 85 LEU HBx A 82 LYS HA 1.0 1.80 2.98 675 561 A 85 LEU HDx% A 82 LYS HA 1.0 1.80 3.17 676 562 A 82 LYS HA A 86 ALA H 1.0 1.80 4.20 677 563 A 82 LYS HGx A 82 LYS HE2 1.0 1.80 3.75 678 563 A 82 LYS HE3 A 82 LYS HGx 1.0 1.80 3.75 679 564 A 82 LYS HGy A 82 LYS HE2 1.0 1.80 3.11 680 564 A 82 LYS HE3 A 82 LYS HGy 1.0 1.80 3.11 681 565 A 82 LYS HGx A 82 LYS HB2 1.0 1.80 2.51 682 565 A 82 LYS HGx A 82 LYS HB3 1.0 1.80 2.51 683 566 A 82 LYS HB2 A 82 LYS HD2 1.0 1.80 2.75 684 566 A 82 LYS HB3 A 82 LYS HD2 1.0 1.80 2.75 685 566 A 82 LYS HD3 A 82 LYS HB2 1.0 1.80 2.75 686 566 A 82 LYS HD3 A 82 LYS HB3 1.0 1.80 2.75 687 567 A 83 GLU H A 82 LYS HB2 1.0 1.80 3.30 688 567 A 82 LYS HB3 A 83 GLU H 1.0 1.80 3.30 689 568 A 83 GLU HA A 82 LYS HB2 1.0 1.80 4.07 690 568 A 82 LYS HB3 A 83 GLU HA 1.0 1.80 4.07 691 569 A 82 LYS HD2 A 82 LYS HE2 1.0 1.80 2.85 692 569 A 82 LYS HD3 A 82 LYS HE2 1.0 1.80 2.85 693 569 A 82 LYS HE3 A 82 LYS HD2 1.0 1.80 2.85 694 569 A 82 LYS HD3 A 82 LYS HE3 1.0 1.80 2.85 695 570 A 83 GLU H A 82 LYS HD2 1.0 1.80 4.55 696 570 A 82 LYS HD3 A 83 GLU H 1.0 1.80 4.55 697 571 A 85 LEU HDx% A 82 LYS HD2 1.0 1.80 3.53 698 571 A 85 LEU HDx% A 82 LYS HD3 1.0 1.80 3.53 699 572 A 83 GLU H A 83 GLU HBx 1.0 1.80 3.20 700 573 A 83 GLU H A 83 GLU HGx 1.0 1.80 3.96 701 574 A 83 GLU HGy A 83 GLU H 1.0 1.80 3.96 702 575 A 83 GLU H A 84 LEU H 1.0 1.80 3.35 703 576 A 83 GLU H A 84 LEU HDy% 1.0 1.80 5.71 704 577 A 85 LEU H A 83 GLU H 1.0 1.80 4.74 705 578 A 83 GLU H A 86 ALA HB% 1.0 1.80 4.83 706 579 A 83 GLU HBy A 83 GLU HA 1.0 1.80 2.67 707 580 A 83 GLU HA A 83 GLU HGx 1.0 1.80 4.09 708 581 A 83 GLU HGy A 83 GLU HA 1.0 1.80 4.09 709 582 A 83 GLU HA A 83 GLU HGx 1.0 1.80 3.43 710 582 A 83 GLU HGy A 83 GLU HA 1.0 1.80 3.43 711 583 A 85 LEU H A 83 GLU HA 1.0 1.80 4.88 712 584 A 83 GLU HA A 86 ALA HB% 1.0 1.80 3.24 713 585 A 83 GLU HBx A 83 GLU HGx 1.0 1.80 2.83 714 585 A 83 GLU HGy A 83 GLU HBx 1.0 1.80 2.83 715 586 A 83 GLU HBx A 84 LEU H 1.0 1.80 3.52 716 587 A 83 GLU HBx A 84 LEU HDy% 1.0 1.80 4.40 717 588 A 83 GLU HBy A 84 LEU HDy% 1.0 1.80 4.21 718 589 A 84 LEU HBx A 84 LEU H 1.0 1.80 3.28 719 590 A 84 LEU HBy A 84 LEU H 1.0 1.80 3.91 720 591 A 84 LEU HG A 84 LEU H 1.0 1.80 3.43 721 592 A 84 LEU H A 84 LEU HDy% 1.0 1.80 3.64 722 593 A 84 LEU HBy A 84 LEU HA 1.0 1.80 3.06 723 594 A 84 LEU HG A 84 LEU HA 1.0 1.80 3.75 724 595 A 84 LEU HA A 84 LEU HDx% 1.0 1.80 4.12 725 596 A 84 LEU HA A 84 LEU HDy% 1.0 1.80 2.76 726 597 A 86 ALA H A 84 LEU HA 1.0 1.80 4.82 727 598 A 84 LEU HA A 87 GLU H 1.0 1.80 3.96 728 599 A 84 LEU HA A 87 GLU HB2 1.0 1.80 3.28 729 599 A 84 LEU HA A 87 GLU HB3 1.0 1.80 3.28 730 600 A 84 LEU HA A 87 GLU HG2 1.0 1.80 4.98 731 600 A 84 LEU HA A 87 GLU HG3 1.0 1.80 4.98 732 601 A 84 LEU HA A 88 TRP H 1.0 1.80 5.50 733 602 A 84 LEU HBx A 84 LEU HG 1.0 1.80 2.59 734 603 A 84 LEU HBx A 84 LEU HDx% 1.0 1.80 3.31 735 604 A 84 LEU HBx A 84 LEU HDy% 1.0 1.80 3.40 736 605 A 84 LEU HBx A 85 LEU H 1.0 1.80 3.37 737 606 A 84 LEU HBx A 85 LEU HDy% 1.0 1.80 4.95 738 607 A 84 LEU HBx A 86 ALA H 1.0 1.80 5.47 739 608 A 88 TRP HE3 A 84 LEU HBx 1.0 1.80 6.20 740 609 A 88 TRP HH2 A 84 LEU HBx 1.0 1.80 5.99 741 610 A 88 TRP HZ2 A 84 LEU HBx 1.0 1.80 4.71 742 611 A 84 LEU HBy A 84 LEU HDx% 1.0 1.80 2.64 743 612 A 84 LEU HBy A 84 LEU HDy% 1.0 1.80 2.67 744 613 A 85 LEU H A 84 LEU HBy 1.0 1.80 4.25 745 614 A 88 TRP HD1 A 84 LEU HBy 1.0 1.80 6.70 746 615 A 88 TRP HE1 A 84 LEU HBy 1.0 1.80 5.08 747 616 A 88 TRP HH2 A 84 LEU HBy 1.0 1.80 4.79 748 617 A 88 TRP HZ2 A 84 LEU HBy 1.0 1.80 4.46 749 618 A 85 LEU H A 84 LEU HDy% 1.0 1.80 4.77 750 619 A 88 TRP HZ2 A 84 LEU HDy% 1.0 1.80 3.60 751 619 A 88 TRP HZ2 A 84 LEU HDx% 1.0 1.80 3.60 752 620 A 85 LEU H A 85 LEU HBx 1.0 1.80 3.05 753 621 A 85 LEU H A 85 LEU HBy 1.0 1.80 3.79 754 622 A 85 LEU H A 85 LEU HG 1.0 1.80 3.15 755 623 A 85 LEU HDx% A 85 LEU H 1.0 1.80 3.98 756 624 A 85 LEU H A 85 LEU HDy% 1.0 1.80 4.10 757 625 A 85 LEU H A 86 ALA H 1.0 1.80 3.36 758 626 A 85 LEU H A 87 GLU HB2 1.0 1.80 5.37 759 626 A 85 LEU H A 87 GLU HB3 1.0 1.80 5.37 760 627 A 85 LEU HA A 85 LEU HBy 1.0 1.80 2.99 761 628 A 85 LEU HA A 85 LEU HG 1.0 1.80 3.25 762 629 A 85 LEU HDx% A 85 LEU HA 1.0 1.80 4.13 763 630 A 85 LEU HA A 85 LEU HDy% 1.0 1.80 2.78 764 631 A 85 LEU HA A 88 TRP H 1.0 1.80 4.06 765 632 A 88 TRP HE1 A 85 LEU HA 1.0 1.80 6.20 766 633 A 88 TRP HE3 A 85 LEU HA 1.0 1.80 3.36 767 634 A 88 TRP HZ3 A 85 LEU HA 1.0 1.80 5.95 768 635 A 85 LEU HA A 88 TRP HB2 1.0 1.80 3.19 769 635 A 88 TRP HB3 A 85 LEU HA 1.0 1.80 3.19 770 636 A 85 LEU HA A 89 LYS H 1.0 1.80 5.29 771 637 A 85 LEU HBx A 85 LEU HG 1.0 1.80 2.79 772 638 A 85 LEU HDx% A 85 LEU HBx 1.0 1.80 2.88 773 639 A 85 LEU HBx A 85 LEU HDy% 1.0 1.80 3.42 774 640 A 85 LEU HBx A 86 ALA H 1.0 1.80 3.46 775 641 A 85 LEU HBx A 87 GLU H 1.0 1.80 5.35 776 642 A 88 TRP HE3 A 85 LEU HBx 1.0 1.80 6.19 777 643 A 85 LEU HDx% A 85 LEU HBy 1.0 1.80 3.01 778 644 A 85 LEU HBy A 85 LEU HDy% 1.0 1.80 3.13 779 645 A 88 TRP HE3 A 85 LEU HBy 1.0 1.80 5.84 780 646 A 88 TRP HE3 A 85 LEU HG 1.0 1.80 4.41 781 647 A 85 LEU HDx% A 86 ALA H 1.0 1.80 4.74 782 648 A 85 LEU HDx% A 88 TRP HE3 1.0 1.80 5.21 783 649 A 88 TRP H A 85 LEU HDy% 1.0 1.80 5.71 784 650 A 88 TRP HE3 A 85 LEU HDy% 1.0 1.80 3.09 785 651 A 88 TRP HH2 A 85 LEU HDy% 1.0 1.80 4.44 786 652 A 88 TRP HZ3 A 85 LEU HDy% 1.0 1.80 3.51 787 653 A 88 TRP HB3 A 85 LEU HDy% 1.0 1.80 4.23 788 653 A 85 LEU HDy% A 88 TRP HB2 1.0 1.80 4.23 789 654 A 86 ALA H A 86 ALA HB% 1.0 1.80 3.00 790 655 A 86 ALA H A 87 GLU H 1.0 1.80 3.16 791 656 A 86 ALA H A 87 GLU HB2 1.0 1.80 4.76 792 656 A 86 ALA H A 87 GLU HB3 1.0 1.80 4.76 793 657 A 86 ALA H A 88 TRP H 1.0 1.80 4.80 794 658 A 86 ALA HA A 89 LYS HB2 1.0 1.80 3.40 795 658 A 86 ALA HA A 89 LYS HB3 1.0 1.80 3.40 796 659 A 86 ALA HA A 89 LYS HD2 1.0 1.80 4.00 797 659 A 86 ALA HA A 89 LYS HD3 1.0 1.80 4.00 798 660 A 86 ALA HA A 89 LYS HE2 1.0 1.80 6.20 799 660 A 86 ALA HA A 89 LYS HE3 1.0 1.80 6.20 800 661 A 86 ALA HA A 89 LYS HGy 1.0 1.80 5.20 801 661 A 86 ALA HA A 89 LYS HGx 1.0 1.80 5.20 802 662 A 86 ALA HB% A 87 GLU H 1.0 1.80 3.36 803 663 A 86 ALA HB% A 87 GLU HA 1.0 1.80 4.14 804 664 A 86 ALA HB% A 88 TRP H 1.0 1.80 4.80 805 665 A 87 GLU H A 87 GLU HB2 1.0 1.80 2.91 806 665 A 87 GLU H A 87 GLU HB3 1.0 1.80 2.91 807 666 A 87 GLU H A 87 GLU HG2 1.0 1.80 4.37 808 666 A 87 GLU H A 87 GLU HG3 1.0 1.80 4.37 809 667 A 87 GLU H A 88 TRP H 1.0 1.80 3.46 810 668 A 87 GLU HA A 87 GLU HB2 1.0 1.80 2.64 811 668 A 87 GLU HB3 A 87 GLU HA 1.0 1.80 2.64 812 669 A 87 GLU HA A 87 GLU HG2 1.0 1.80 3.24 813 669 A 87 GLU HG3 A 87 GLU HA 1.0 1.80 3.24 814 670 A 88 TRP HD1 A 87 GLU HA 1.0 1.80 5.45 815 671 A 87 GLU HB2 A 87 GLU HG2 1.0 1.80 2.55 816 671 A 87 GLU HB3 A 87 GLU HG2 1.0 1.80 2.55 817 671 A 87 GLU HG3 A 87 GLU HB2 1.0 1.80 2.55 818 671 A 87 GLU HB3 A 87 GLU HG3 1.0 1.80 2.55 819 672 A 88 TRP H A 87 GLU HB2 1.0 1.80 3.31 820 672 A 87 GLU HB3 A 88 TRP H 1.0 1.80 3.31 821 673 A 88 TRP HA A 87 GLU HB2 1.0 1.80 4.77 822 673 A 87 GLU HB3 A 88 TRP HA 1.0 1.80 4.77 823 674 A 88 TRP HD1 A 87 GLU HB2 1.0 1.80 4.19 824 674 A 88 TRP HD1 A 87 GLU HB3 1.0 1.80 4.19 825 675 A 88 TRP HE1 A 87 GLU HB2 1.0 1.80 6.09 826 675 A 88 TRP HE1 A 87 GLU HB3 1.0 1.80 6.09 827 676 A 89 LYS H A 87 GLU HB2 1.0 1.80 5.13 828 676 A 87 GLU HB3 A 89 LYS H 1.0 1.80 5.13 829 677 A 88 TRP H A 87 GLU HG2 1.0 1.80 4.28 830 677 A 87 GLU HG3 A 88 TRP H 1.0 1.80 4.28 831 678 A 88 TRP HA A 87 GLU HG2 1.0 1.80 4.55 832 678 A 87 GLU HG3 A 88 TRP HA 1.0 1.80 4.55 833 679 A 88 TRP HD1 A 87 GLU HG2 1.0 1.80 3.88 834 679 A 88 TRP HD1 A 87 GLU HG3 1.0 1.80 3.88 835 680 A 88 TRP HE1 A 87 GLU HG2 1.0 1.80 5.61 836 680 A 88 TRP HE1 A 87 GLU HG3 1.0 1.80 5.61 837 681 A 91 THR HG2% A 87 GLU HG2 1.0 1.80 3.81 838 681 A 87 GLU HG3 A 91 THR HG2% 1.0 1.80 3.81 839 682 A 88 TRP HD1 A 88 TRP H 1.0 1.80 4.17 840 683 A 88 TRP HE3 A 88 TRP H 1.0 1.80 5.01 841 684 A 88 TRP H A 88 TRP HB2 1.0 1.80 3.07 842 684 A 88 TRP HB3 A 88 TRP H 1.0 1.80 3.07 843 685 A 88 TRP H A 89 LYS H 1.0 1.80 3.53 844 686 A 88 TRP H A 89 LYS HGy 1.0 1.80 6.20 845 686 A 88 TRP H A 89 LYS HGx 1.0 1.80 6.20 846 687 A 88 TRP HD1 A 88 TRP HA 1.0 1.80 2.85 847 688 A 88 TRP HE1 A 88 TRP HA 1.0 1.80 5.26 848 689 A 88 TRP HE3 A 88 TRP HA 1.0 1.80 6.20 849 690 A 88 TRP HA A 88 TRP HB2 1.0 1.80 2.71 850 690 A 88 TRP HB3 A 88 TRP HA 1.0 1.80 2.71 851 691 A 88 TRP HA A 89 LYS HB2 1.0 1.80 5.93 852 691 A 89 LYS HB3 A 88 TRP HA 1.0 1.80 5.93 853 692 A 88 TRP HA A 90 ARG H 1.0 1.80 5.09 854 693 A 88 TRP HA A 90 ARG HB2 1.0 1.80 6.20 855 693 A 88 TRP HA A 90 ARG HB3 1.0 1.80 6.20 856 694 A 88 TRP HA A 91 THR HG2% 1.0 1.80 4.45 857 695 A 88 TRP HA A 93 SER HBx 1.0 1.80 3.62 858 695 A 88 TRP HA A 93 SER HBy 1.0 1.80 3.62 859 696 A 88 TRP HD1 A 89 LYS H 1.0 1.80 5.47 860 697 A 88 TRP HD1 A 91 THR HG2% 1.0 1.80 5.87 861 698 A 88 TRP HD1 A 93 SER HBx 1.0 1.80 4.57 862 698 A 88 TRP HD1 A 93 SER HBy 1.0 1.80 4.57 863 699 A 88 TRP HE3 A 89 LYS H 1.0 1.80 6.20 864 700 A 88 TRP HD1 A 88 TRP HB2 1.0 1.80 3.51 865 700 A 88 TRP HB3 A 88 TRP HD1 1.0 1.80 3.51 866 701 A 88 TRP HE3 A 88 TRP HB2 1.0 1.80 3.13 867 701 A 88 TRP HE3 A 88 TRP HB3 1.0 1.80 3.13 868 702 A 89 LYS H A 88 TRP HB2 1.0 1.80 3.61 869 702 A 88 TRP HB3 A 89 LYS H 1.0 1.80 3.61 870 703 A 91 THR HG2% A 88 TRP HB2 1.0 1.80 5.41 871 703 A 88 TRP HB3 A 91 THR HG2% 1.0 1.80 5.41 872 704 A 88 TRP HB2 A 93 SER HBx 1.0 1.80 4.51 873 704 A 88 TRP HB3 A 93 SER HBx 1.0 1.80 4.51 874 705 A 88 TRP HB3 A 93 SER HBy 1.0 1.80 4.51 875 705 A 93 SER HBy A 88 TRP HB2 1.0 1.80 4.51 876 706 A 88 TRP HB2 A 93 SER HBx 1.0 1.80 3.93 877 706 A 88 TRP HB3 A 93 SER HBx 1.0 1.80 3.93 878 706 A 93 SER HBy A 88 TRP HB2 1.0 1.80 3.93 879 706 A 88 TRP HB3 A 93 SER HBy 1.0 1.80 3.93 880 707 A 89 LYS H A 89 LYS HB2 1.0 1.80 2.94 881 707 A 89 LYS H A 89 LYS HB3 1.0 1.80 2.94 882 708 A 89 LYS H A 89 LYS HD2 1.0 1.80 4.81 883 708 A 89 LYS H A 89 LYS HD3 1.0 1.80 4.81 884 709 A 89 LYS H A 89 LYS HE2 1.0 1.80 6.20 885 709 A 89 LYS H A 89 LYS HE3 1.0 1.80 6.20 886 710 A 89 LYS H A 89 LYS HGy 1.0 1.80 4.44 887 710 A 89 LYS H A 89 LYS HGx 1.0 1.80 4.44 888 711 A 89 LYS H A 90 ARG H 1.0 1.80 2.93 889 712 A 89 LYS HGx A 89 LYS HA 1.0 1.80 4.06 890 713 A 89 LYS HA A 89 LYS HGy 1.0 1.80 4.06 891 714 A 89 LYS HA A 89 LYS HB2 1.0 1.80 2.73 892 714 A 89 LYS HB3 A 89 LYS HA 1.0 1.80 2.73 893 715 A 89 LYS HA A 89 LYS HE2 1.0 1.80 6.20 894 715 A 89 LYS HE3 A 89 LYS HA 1.0 1.80 6.20 895 716 A 89 LYS HA A 89 LYS HGy 1.0 1.80 3.57 896 716 A 89 LYS HGx A 89 LYS HA 1.0 1.80 3.57 897 717 A 90 ARG H A 89 LYS HA 1.0 1.80 3.75 898 718 A 89 LYS HGx A 89 LYS HE2 1.0 1.80 3.52 899 718 A 89 LYS HE3 A 89 LYS HGx 1.0 1.80 3.52 900 719 A 89 LYS HE3 A 89 LYS HGy 1.0 1.80 3.52 901 719 A 89 LYS HE2 A 89 LYS HGy 1.0 1.80 3.52 902 720 A 89 LYS HGx A 89 LYS HB2 1.0 1.80 2.93 903 720 A 89 LYS HB3 A 89 LYS HGx 1.0 1.80 2.93 904 721 A 89 LYS HB2 A 89 LYS HGy 1.0 1.80 2.93 905 721 A 89 LYS HB3 A 89 LYS HGy 1.0 1.80 2.93 906 722 A 89 LYS HB2 A 89 LYS HD2 1.0 1.80 2.44 907 722 A 89 LYS HD3 A 89 LYS HB2 1.0 1.80 2.44 908 722 A 89 LYS HB3 A 89 LYS HD3 1.0 1.80 2.44 909 722 A 89 LYS HB3 A 89 LYS HD2 1.0 1.80 2.44 910 723 A 89 LYS HB3 A 89 LYS HE2 1.0 1.80 3.78 911 723 A 89 LYS HB2 A 89 LYS HE2 1.0 1.80 3.78 912 723 A 89 LYS HE3 A 89 LYS HB2 1.0 1.80 3.78 913 723 A 89 LYS HB3 A 89 LYS HE3 1.0 1.80 3.78 914 724 A 89 LYS HB2 A 89 LYS HGy 1.0 1.80 2.53 915 724 A 89 LYS HB3 A 89 LYS HGy 1.0 1.80 2.53 916 724 A 89 LYS HGx A 89 LYS HB2 1.0 1.80 2.53 917 724 A 89 LYS HB3 A 89 LYS HGx 1.0 1.80 2.53 918 725 A 90 ARG H A 89 LYS HB2 1.0 1.80 3.57 919 725 A 89 LYS HB3 A 90 ARG H 1.0 1.80 3.57 920 726 A 89 LYS HE3 A 89 LYS HGy 1.0 1.80 2.93 921 726 A 89 LYS HE2 A 89 LYS HGy 1.0 1.80 2.93 922 726 A 89 LYS HGx A 89 LYS HE2 1.0 1.80 2.93 923 726 A 89 LYS HE3 A 89 LYS HGx 1.0 1.80 2.93 924 727 A 90 ARG H A 89 LYS HGy 1.0 1.80 4.44 925 727 A 89 LYS HGx A 90 ARG H 1.0 1.80 4.44 926 728 A 90 ARG HA A 89 LYS HGy 1.0 1.80 4.15 927 728 A 89 LYS HGx A 90 ARG HA 1.0 1.80 4.15 928 729 A 90 ARG H A 90 ARG HDx 1.0 1.80 5.86 929 730 A 90 ARG H A 90 ARG HDy 1.0 1.80 5.86 930 731 A 90 ARG H A 90 ARG HGx 1.0 1.80 4.20 931 732 A 90 ARG H A 90 ARG HGy 1.0 1.80 4.20 932 733 A 90 ARG H A 90 ARG HB2 1.0 1.80 2.95 933 733 A 90 ARG H A 90 ARG HB3 1.0 1.80 2.95 934 734 A 90 ARG H A 90 ARG HDy 1.0 1.80 5.18 935 734 A 90 ARG H A 90 ARG HDx 1.0 1.80 5.18 936 735 A 90 ARG H A 90 ARG HGy 1.0 1.80 4.00 937 735 A 90 ARG H A 90 ARG HGx 1.0 1.80 4.00 938 736 A 90 ARG H A 91 THR H 1.0 1.80 3.46 939 737 A 91 THR HG2% A 90 ARG H 1.0 1.80 4.94 940 738 A 90 ARG HA A 90 ARG HB2 1.0 1.80 2.66 941 738 A 90 ARG HB3 A 90 ARG HA 1.0 1.80 2.66 942 739 A 90 ARG HA A 90 ARG HDy 1.0 1.80 4.16 943 739 A 90 ARG HA A 90 ARG HDx 1.0 1.80 4.16 944 740 A 90 ARG HA A 90 ARG HGy 1.0 1.80 3.10 945 740 A 90 ARG HA A 90 ARG HGx 1.0 1.80 3.10 946 741 A 91 THR HG2% A 90 ARG HA 1.0 1.80 5.24 947 742 A 90 ARG HGx A 91 THR H 1.0 1.80 5.41 948 743 A 91 THR H A 90 ARG HGy 1.0 1.80 5.41 949 744 A 90 ARG HDx A 90 ARG HB2 1.0 1.80 3.40 950 744 A 90 ARG HB3 A 90 ARG HDx 1.0 1.80 3.40 951 745 A 90 ARG HB2 A 90 ARG HDy 1.0 1.80 3.40 952 745 A 90 ARG HB3 A 90 ARG HDy 1.0 1.80 3.40 953 746 A 90 ARG HB3 A 90 ARG HGx 1.0 1.80 2.79 954 746 A 90 ARG HGx A 90 ARG HB2 1.0 1.80 2.79 955 747 A 90 ARG HB3 A 90 ARG HGy 1.0 1.80 2.79 956 747 A 90 ARG HB2 A 90 ARG HGy 1.0 1.80 2.79 957 748 A 90 ARG HB2 A 90 ARG HDy 1.0 1.80 2.84 958 748 A 90 ARG HB3 A 90 ARG HDy 1.0 1.80 2.84 959 748 A 90 ARG HDx A 90 ARG HB2 1.0 1.80 2.84 960 748 A 90 ARG HB3 A 90 ARG HDx 1.0 1.80 2.84 961 749 A 90 ARG HB3 A 90 ARG HGy 1.0 1.80 2.38 962 749 A 90 ARG HB2 A 90 ARG HGy 1.0 1.80 2.38 963 749 A 90 ARG HGx A 90 ARG HB2 1.0 1.80 2.38 964 749 A 90 ARG HB3 A 90 ARG HGx 1.0 1.80 2.38 965 750 A 91 THR H A 90 ARG HB2 1.0 1.80 3.64 966 750 A 90 ARG HB3 A 91 THR H 1.0 1.80 3.64 967 751 A 91 THR HA A 90 ARG HB2 1.0 1.80 4.40 968 751 A 90 ARG HB3 A 91 THR HA 1.0 1.80 4.40 969 752 A 91 THR HG2% A 90 ARG HB2 1.0 1.80 3.88 970 752 A 91 THR HG2% A 90 ARG HB3 1.0 1.80 3.88 971 753 A 92 GLY H A 90 ARG HB2 1.0 1.80 5.45 972 753 A 90 ARG HB3 A 92 GLY H 1.0 1.80 5.45 973 754 A 90 ARG HDy A 90 ARG HGy 1.0 1.80 2.51 974 754 A 90 ARG HDx A 90 ARG HGy 1.0 1.80 2.51 975 754 A 90 ARG HGx A 90 ARG HDy 1.0 1.80 2.51 976 754 A 90 ARG HDx A 90 ARG HGx 1.0 1.80 2.51 977 755 A 91 THR H A 90 ARG HGy 1.0 1.80 4.79 978 755 A 90 ARG HGx A 91 THR H 1.0 1.80 4.79 979 756 A 91 THR H A 91 THR HB 1.0 1.80 4.01 980 757 A 91 THR HG2% A 91 THR H 1.0 1.80 3.74 981 758 A 91 THR HG2% A 91 THR HA 1.0 1.80 3.50 982 759 A 91 THR HA A 92 GLY H 1.0 1.80 3.70 983 760 A 91 THR HG2% A 92 GLY H 1.0 1.80 5.15 984 761 A 91 THR HG2% A 93 SER HBx 1.0 1.80 5.07 985 761 A 91 THR HG2% A 93 SER HBy 1.0 1.80 5.07 986 762 A 93 SER H A 93 SER HBx 1.0 1.80 3.89 987 762 A 93 SER HBy A 93 SER H 1.0 1.80 3.89 988 763 A 94 ASP H A 93 SER HBx 1.0 1.80 5.07 989 764 A 93 SER HBy A 94 ASP H 1.0 1.80 5.07 990 765 A 94 ASP H A 93 SER HBx 1.0 1.80 4.31 991 765 A 93 SER HBy A 94 ASP H 1.0 1.80 4.31 992 766 A 94 ASP H A 94 ASP HBx 1.0 1.80 4.36 993 767 A 94 ASP H A 94 ASP HBy 1.0 1.80 4.36 994 768 A 94 ASP H A 94 ASP HBx 1.0 1.80 3.71 995 768 A 94 ASP H A 94 ASP HBy 1.0 1.80 3.71 996 769 A 94 ASP HA A 95 PHE H 1.0 1.80 3.41 997 770 A 95 PHE H A 94 ASP HBx 1.0 1.80 5.06 998 771 A 94 ASP HBy A 95 PHE H 1.0 1.80 5.06 999 772 A 95 PHE H A 94 ASP HBx 1.0 1.80 4.41 1000 772 A 94 ASP HBy A 95 PHE H 1.0 1.80 4.41 1001 773 A 95 PHE H A 95 PHE HB2 1.0 1.80 3.19 1002 773 A 95 PHE H A 95 PHE HB3 1.0 1.80 3.19 1003 774 A 95 PHE H A 95 PHE HD% 1.0 1.80 4.48 1004 775 A 95 PHE HA A 95 PHE HB2 1.0 1.80 2.71 1005 775 A 95 PHE HB3 A 95 PHE HA 1.0 1.80 2.71 1006 776 A 95 PHE HD% A 95 PHE HA 1.0 1.80 3.93 1007 777 A 97 ILE HD1% A 95 PHE HB2 1.0 1.80 3.58 1008 777 A 95 PHE HB3 A 97 ILE HD1% 1.0 1.80 3.58 1009 778 A 95 PHE HD% A 97 ILE HA 1.0 1.80 5.18 1010 779 A 95 PHE HD% A 97 ILE HB 1.0 1.80 5.45 1011 780 A 95 PHE HD% A 97 ILE HD1% 1.0 1.80 3.79 1012 781 A 95 PHE HD% A 97 ILE HG1y 1.0 1.80 4.30 1013 781 A 95 PHE HD% A 97 ILE HG1x 1.0 1.80 4.30 1014 782 A 95 PHE HD% A 97 ILE HG2% 1.0 1.80 4.69 1015 783 A 97 ILE HA A 95 PHE HE% 1.0 1.80 5.98 1016 784 A 97 ILE HB A 95 PHE HE% 1.0 1.80 5.63 1017 785 A 97 ILE HD1% A 95 PHE HE% 1.0 1.80 4.29 1018 786 A 97 ILE HG2% A 95 PHE HE% 1.0 1.80 4.50 1019 787 A 96 HIS H A 97 ILE HG1y 1.0 1.80 5.17 1020 787 A 97 ILE HG1x A 96 HIS H 1.0 1.80 5.17 1021 788 A 96 HIS HA A 96 HIS HD1 1.0 1.80 4.73 1022 789 A 96 HIS HA A 96 HIS HB2 1.0 1.80 2.99 1023 789 A 96 HIS HA A 96 HIS HB3 1.0 1.80 2.99 1024 790 A 96 HIS HA A 97 ILE H 1.0 1.80 3.27 1025 791 A 96 HIS HD1 A 96 HIS HB2 1.0 1.80 3.66 1026 791 A 96 HIS HD1 A 96 HIS HB3 1.0 1.80 3.66 1027 792 A 97 ILE H A 96 HIS HB2 1.0 1.80 4.25 1028 792 A 96 HIS HB3 A 97 ILE H 1.0 1.80 4.25 1029 793 A 98 GLY H A 96 HIS HB2 1.0 1.80 5.93 1030 793 A 96 HIS HB3 A 98 GLY H 1.0 1.80 5.93 1031 794 A 97 ILE HB A 97 ILE H 1.0 1.80 3.53 1032 795 A 97 ILE HD1% A 97 ILE H 1.0 1.80 4.99 1033 796 A 97 ILE H A 97 ILE HG1y 1.0 1.80 3.80 1034 796 A 97 ILE HG1x A 97 ILE H 1.0 1.80 3.80 1035 797 A 97 ILE HG2% A 97 ILE H 1.0 1.80 4.69 1036 798 A 97 ILE H A 98 GLY H 1.0 1.80 4.26 1037 799 A 97 ILE HA A 97 ILE HG1x 1.0 1.80 4.11 1038 800 A 97 ILE HA A 97 ILE HG1y 1.0 1.80 4.11 1039 801 A 97 ILE HD1% A 97 ILE HA 1.0 1.80 3.74 1040 802 A 97 ILE HA A 97 ILE HG1y 1.0 1.80 3.59 1041 802 A 97 ILE HA A 97 ILE HG1x 1.0 1.80 3.59 1042 803 A 97 ILE HA A 97 ILE HG2% 1.0 1.80 3.19 1043 804 A 97 ILE HD1% A 97 ILE HB 1.0 1.80 3.58 1044 805 A 97 ILE HB A 98 GLY H 1.0 1.80 4.80 1045 806 A 98 GLY H A 97 ILE HG1y 1.0 1.80 5.16 1046 806 A 97 ILE HG1x A 98 GLY H 1.0 1.80 5.16 1047 807 A 97 ILE HG1x A 97 ILE HG2% 1.0 1.80 3.76 1048 808 A 97 ILE HG2% A 97 ILE HG1y 1.0 1.80 3.76 1049 809 A 97 ILE HG2% A 97 ILE HG1y 1.0 1.80 3.32 1050 809 A 97 ILE HG1x A 97 ILE HG2% 1.0 1.80 3.32 1051 810 A 97 ILE HG2% A 98 GLY H 1.0 1.80 4.47 1052 811 A 97 ILE HG2% A 98 GLY HAy 1.0 1.80 3.81 1053 811 A 97 ILE HG2% A 98 GLY HAx 1.0 1.80 3.81 1054 812 A 99 HIS HA A 99 HIS HD1 1.0 1.80 4.18 1055 813 A 99 HIS HA A 99 HIS HB2 1.0 1.80 2.69 1056 813 A 99 HIS HA A 99 HIS HB3 1.0 1.80 2.69 1057 814 A 100 LYS HA A 99 HIS HB2 1.0 1.80 5.63 1058 814 A 99 HIS HB3 A 100 LYS HA 1.0 1.80 5.63 1059 815 A 99 HIS HD1 A 99 HIS HB2 1.0 1.80 3.15 1060 815 A 99 HIS HD1 A 99 HIS HB3 1.0 1.80 3.15 1061 816 A 101 LEU H A 101 LEU HBx 1.0 1.80 3.11 1062 816 A 101 LEU H A 101 LEU HBy 1.0 1.80 3.11 1063 817 A 101 LEU H A 101 LEU HDx% 1.0 1.80 5.21 1064 818 A 101 LEU H A 101 LEU HDy% 1.0 1.80 5.21 1065 819 A 101 LEU H A 101 LEU HDy% 1.0 1.80 4.40 1066 819 A 101 LEU H A 101 LEU HDx% 1.0 1.80 4.40 1067 820 A 101 LEU HA A 101 LEU HG 1.0 1.80 3.71 1068 821 A 101 LEU HA A 101 LEU HBx 1.0 1.80 2.75 1069 821 A 101 LEU HBy A 101 LEU HA 1.0 1.80 2.75 1070 822 A 101 LEU HDx% A 101 LEU HA 1.0 1.80 4.25 1071 823 A 101 LEU HA A 101 LEU HDy% 1.0 1.80 4.25 1072 824 A 101 LEU HA A 101 LEU HDy% 1.0 1.80 3.10 1073 824 A 101 LEU HDx% A 101 LEU HA 1.0 1.80 3.10 1074 825 A 101 LEU HA A 102 GLU H 1.0 1.80 3.67 1075 826 A 101 LEU HG A 101 LEU HBx 1.0 1.80 2.66 1076 826 A 101 LEU HBy A 101 LEU HG 1.0 1.80 2.66 1077 827 A 101 LEU HBx A 101 LEU HDy% 1.0 1.80 3.03 1078 827 A 101 LEU HBy A 101 LEU HDy% 1.0 1.80 3.03 1079 827 A 101 LEU HDx% A 101 LEU HBx 1.0 1.80 3.03 1080 827 A 101 LEU HBy A 101 LEU HDx% 1.0 1.80 3.03 1081 828 A 102 GLU H A 101 LEU HBx 1.0 1.80 4.15 1082 828 A 101 LEU HBy A 102 GLU H 1.0 1.80 4.15 1083 829 A 102 GLU H A 101 LEU HDy% 1.0 1.80 5.66 1084 829 A 101 LEU HDx% A 102 GLU H 1.0 1.80 5.66 1085 830 A 102 GLU H A 102 GLU HB2 1.0 1.80 3.41 1086 830 A 102 GLU H A 102 GLU HB3 1.0 1.80 3.41 1087 831 A 102 GLU H A 102 GLU HG2 1.0 1.80 4.19 1088 831 A 102 GLU H A 102 GLU HG3 1.0 1.80 4.19 1089 832 A 102 GLU HA A 102 GLU HG2 1.0 1.80 3.38 1090 832 A 102 GLU HG3 A 102 GLU HA 1.0 1.80 3.38 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 hbond _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 68 ILE H A 65 PRO O 1.0 1.8 2.2 2 2 A 65 PRO O A 68 ILE N 1.0 1.8 3.2 3 3 A 71 GLN H A 69 ASP OD2 1.0 1.8 2.2 4 4 A 72 VAL H A 69 ASP OD2 1.0 1.8 2.7 5 5 A 81 GLN NE2 A 73 PHE O 1.0 1.8 3.7 6 6 A 74 TYR H A 70 PRO O 1.0 1.8 2.2 7 7 A 81 GLN H A 77 PRO O 1.0 1.8 2.2 8 8 A 82 LYS H A 78 GLU O 1.0 1.8 2.2 9 9 A 83 GLU H A 79 ALA O 1.0 1.8 2.2 10 10 A 84 LEU H A 80 VAL O 1.0 1.8 2.2 11 11 A 85 LEU H A 81 GLN O 1.0 1.8 2.2 12 12 A 86 ALA H A 82 LYS O 1.0 1.8 2.2 13 13 A 87 GLU H A 83 GLU O 1.0 1.8 2.2 14 14 A 88 TRP H A 84 LEU O 1.0 1.8 2.2 15 15 A 89 LYS H A 85 LEU O 1.0 1.8 2.2 16 16 A 90 ARG H A 86 ALA O 1.0 1.8 2.2 17 17 A 91 THR H A 87 GLU O 1.0 1.8 2.2 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 60 GLU C A 61 LYS N A 61 LYS CA A 61 LYS C 1.0 -188.0 -16.0 PHI 2 2 A 61 LYS N A 61 LYS CA A 61 LYS C A 62 ILE N 1.0 114.0 174.0 PSI 3 3 A 62 ILE N A 62 ILE CA A 62 ILE CB A 62 ILE CG1 1.0 -75.0 -55.0 CHI1 4 4 A 62 ILE CA A 62 ILE CB A 62 ILE CG1 A 62 ILE CD1 1.0 160.0 180.0 CHI2 5 5 A 61 LYS C A 62 ILE N A 62 ILE CA A 62 ILE C 1.0 -177.0 -25.0 PHI 6 6 A 62 ILE N A 62 ILE CA A 62 ILE C A 63 THR N 1.0 115.0 171.0 PSI 7 7 A 62 ILE C A 63 THR N A 63 THR CA A 63 THR C 1.0 -164.0 -52.0 PHI 8 8 A 63 THR N A 63 THR CA A 63 THR C A 64 PHE N 1.0 101.0 169.0 PSI 9 9 A 64 PHE N A 64 PHE CA A 64 PHE CB A 64 PHE CG 1.0 -77.0 -53.0 CHI1 10 10 A 64 PHE CA A 64 PHE CB A 64 PHE CG A 64 PHE CD1 1.0 -102.0 -68.0 CHI2 11 11 A 63 THR C A 64 PHE N A 64 PHE CA A 64 PHE C 1.0 -100.7 -51.3 PHI 12 12 A 64 PHE N A 64 PHE CA A 64 PHE C A 65 PRO N 1.0 104.1 168.5 PSI 13 13 A 64 PHE C A 65 PRO N A 65 PRO CA A 65 PRO C 1.0 -73.0 -49.0 PHI 14 14 A 65 PRO N A 65 PRO CA A 65 PRO C A 66 SER N 1.0 126.0 170.0 PSI 15 15 A 65 PRO C A 66 SER N A 66 SER CA A 66 SER C 1.0 -73.0 -51.0 PHI 16 16 A 66 SER N A 66 SER CA A 66 SER C A 67 ASP N 1.0 -39.0 -3.0 PSI 17 17 A 68 ILE N A 68 ILE CA A 68 ILE CB A 68 ILE CG1 1.0 -72.0 -42.0 CHI1 18 18 A 68 ILE CA A 68 ILE CB A 68 ILE CG1 A 68 ILE CD1 1.0 -70.0 -50.0 CHI2 19 19 A 67 ASP C A 68 ILE N A 68 ILE CA A 68 ILE C 1.0 -166.0 -54.0 PHI 20 20 A 68 ILE N A 68 ILE CA A 68 ILE C A 69 ASP N 1.0 84.0 172.0 PSI 21 21 A 69 ASP N A 69 ASP CA A 69 ASP CB A 69 ASP CG 1.0 -189.0 -165.0 CHI1 22 22 A 68 ILE C A 69 ASP N A 69 ASP CA A 69 ASP C 1.0 -131.4 -34.2 PHI 23 23 A 69 ASP N A 69 ASP CA A 69 ASP C A 70 PRO N 1.0 85.9 173.9 PSI 24 24 A 70 PRO C A 71 GLN N A 71 GLN CA A 71 GLN C 1.0 -75.0 -51.2 PHI 25 25 A 71 GLN N A 71 GLN CA A 71 GLN C A 72 VAL N 1.0 -48.6 -19.6 PSI 26 26 A 71 GLN C A 72 VAL N A 72 VAL CA A 72 VAL C 1.0 -84.2 -51.8 PHI 27 27 A 72 VAL N A 72 VAL CA A 72 VAL C A 73 PHE N 1.0 -58.8 -23.6 PSI 28 28 A 72 VAL C A 73 PHE N A 73 PHE CA A 73 PHE C 1.0 -101.9 -40.7 PHI 29 29 A 73 PHE N A 73 PHE CA A 73 PHE C A 74 TYR N 1.0 -57.8 -32.0 PSI 30 30 A 74 TYR N A 74 TYR CA A 74 TYR CB A 74 TYR CG 1.0 -76.0 -54.0 CHI1 31 31 A 73 PHE C A 74 TYR N A 74 TYR CA A 74 TYR C 1.0 -77.4 -57.4 PHI 32 32 A 74 TYR N A 74 TYR CA A 74 TYR C A 75 GLU N 1.0 -36.8 3.8 PSI 33 33 A 74 TYR C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -130.3 -75.3 PHI 34 34 A 75 GLU N A 75 GLU CA A 75 GLU C A 76 LEU N 1.0 -39.5 21.5 PSI 35 35 A 76 LEU N A 76 LEU CA A 76 LEU CB A 76 LEU CG 1.0 -76.0 -54.0 CHI1 36 36 A 76 LEU CA A 76 LEU CB A 76 LEU CG A 76 LEU CD1 1.0 164.0 186.0 CHI2 37 37 A 75 GLU C A 76 LEU N A 76 LEU CA A 76 LEU C 1.0 -124.1 -27.5 PHI 38 38 A 76 LEU N A 76 LEU CA A 76 LEU C A 77 PRO N 1.0 88.8 187.2 PSI 39 39 A 76 LEU C A 77 PRO N A 77 PRO CA A 77 PRO C 1.0 -103.0 -55.0 PHI 40 40 A 77 PRO N A 77 PRO CA A 77 PRO C A 78 GLU N 1.0 111.0 157.0 PSI 41 41 A 77 PRO C A 78 GLU N A 78 GLU CA A 78 GLU C 1.0 -63.0 -43.0 PHI 42 42 A 78 GLU N A 78 GLU CA A 78 GLU C A 79 ALA N 1.0 -59.7 -25.9 PSI 43 43 A 78 GLU C A 79 ALA N A 79 ALA CA A 79 ALA C 1.0 -72.2 -46.2 PHI 44 44 A 79 ALA N A 79 ALA CA A 79 ALA C A 80 VAL N 1.0 -58.6 -25.2 PSI 45 45 A 79 ALA C A 80 VAL N A 80 VAL CA A 80 VAL C 1.0 -78.2 -54.8 PHI 46 46 A 80 VAL N A 80 VAL CA A 80 VAL C A 81 GLN N 1.0 -56.8 -36.8 PSI 47 47 A 81 GLN N A 81 GLN CA A 81 GLN CB A 81 GLN CG 1.0 -191.0 -163.0 CHI1 48 48 A 80 VAL C A 81 GLN N A 81 GLN CA A 81 GLN C 1.0 -70.5 -48.9 PHI 49 49 A 81 GLN N A 81 GLN CA A 81 GLN C A 82 LYS N 1.0 -58.6 -27.6 PSI 50 50 A 81 GLN C A 82 LYS N A 82 LYS CA A 82 LYS C 1.0 -71.1 -51.1 PHI 51 51 A 82 LYS N A 82 LYS CA A 82 LYS C A 83 GLU N 1.0 -49.4 -28.4 PSI 52 52 A 83 GLU N A 83 GLU CA A 83 GLU CB A 83 GLU CG 1.0 -80.0 -54.0 CHI1 53 53 A 82 LYS C A 83 GLU N A 83 GLU CA A 83 GLU C 1.0 -75.5 -53.3 PHI 54 54 A 83 GLU N A 83 GLU CA A 83 GLU C A 84 LEU N 1.0 -52.1 -32.1 PSI 55 55 A 84 LEU N A 84 LEU CA A 84 LEU CB A 84 LEU CG 1.0 -76.0 -54.0 CHI1 56 56 A 84 LEU CA A 84 LEU CB A 84 LEU CG A 84 LEU CD1 1.0 164.0 186.0 CHI2 57 57 A 83 GLU C A 84 LEU N A 84 LEU CA A 84 LEU C 1.0 -78.9 -52.7 PHI 58 58 A 84 LEU N A 84 LEU CA A 84 LEU C A 85 LEU N 1.0 -57.6 -21.6 PSI 59 59 A 85 LEU N A 85 LEU CA A 85 LEU CB A 85 LEU CG 1.0 -76.0 -54.0 CHI1 60 60 A 85 LEU CA A 85 LEU CB A 85 LEU CG A 85 LEU CD1 1.0 164.0 186.0 CHI2 61 61 A 84 LEU C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -77.2 -50.8 PHI 62 62 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 ALA N 1.0 -57.1 -17.9 PSI 63 63 A 85 LEU C A 86 ALA N A 86 ALA CA A 86 ALA C 1.0 -74.2 -54.2 PHI 64 64 A 86 ALA N A 86 ALA CA A 86 ALA C A 87 GLU N 1.0 -54.4 -25.4 PSI 65 65 A 87 GLU N A 87 GLU CA A 87 GLU CB A 87 GLU CG 1.0 -191.0 -163.0 CHI1 66 66 A 86 ALA C A 87 GLU N A 87 GLU CA A 87 GLU C 1.0 -75.0 -55.0 PHI 67 67 A 87 GLU N A 87 GLU CA A 87 GLU C A 88 TRP N 1.0 -62.0 -18.0 PSI 68 68 A 88 TRP N A 88 TRP CA A 88 TRP CB A 88 TRP CG 1.0 -75.0 -55.0 CHI1 69 69 A 87 GLU C A 88 TRP N A 88 TRP CA A 88 TRP C 1.0 -98.0 -38.0 PHI 70 70 A 88 TRP N A 88 TRP CA A 88 TRP C A 89 LYS N 1.0 -63.0 -7.0 PSI 71 71 A 88 TRP C A 89 LYS N A 89 LYS CA A 89 LYS C 1.0 -99.0 -39.0 PHI 72 72 A 89 LYS N A 89 LYS CA A 89 LYS C A 90 ARG N 1.0 -79.0 25.0 PSI 73 73 A 89 LYS C A 90 ARG N A 90 ARG CA A 90 ARG C 1.0 -79.0 -52.0 PHI 74 74 A 90 ARG N A 90 ARG CA A 90 ARG C A 91 THR N 1.0 -60.2 -19.0 PSI 75 75 A 90 ARG C A 91 THR N A 91 THR CA A 91 THR C 1.0 -134.4 -61.2 PHI 76 76 A 91 THR N A 91 THR CA A 91 THR C A 92 GLY N 1.0 -40.3 24.7 PSI 77 77 A 91 THR C A 92 GLY N A 92 GLY CA A 92 GLY C 1.0 50.3 109.3 PHI 78 78 A 92 GLY N A 92 GLY CA A 92 GLY C A 93 SER N 1.0 -23.6 44.4 PSI 79 79 A 99 HIS C A 100 LYS N A 100 LYS CA A 100 LYS C 1.0 -91.6 -46.8 PHI 80 80 A 100 LYS N A 100 LYS CA A 100 LYS C A 101 LEU N 1.0 -60.6 -5.2 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _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 61 LYS H A 61 LYS N 1.0 . . . 2 2 A 62 ILE H A 62 ILE N 1.0 . . . 3 3 A 63 THR H A 63 THR N 1.0 . . . 4 4 A 64 PHE H A 64 PHE N 1.0 . . . 5 5 A 66 SER H A 66 SER N 1.0 . . . 6 6 A 67 ASP H A 67 ASP N 1.0 . . . 7 7 A 68 ILE H A 68 ILE N 1.0 . . . 8 8 A 69 ASP H A 69 ASP N 1.0 . . . 9 9 A 71 GLN H A 71 GLN N 1.0 . . . 10 10 A 72 VAL H A 72 VAL N 1.0 . . . 11 11 A 73 PHE H A 73 PHE N 1.0 . . . 12 12 A 74 TYR H A 74 TYR N 1.0 . . . 13 13 A 75 GLU H A 75 GLU N 1.0 . . . 14 14 A 76 LEU H A 76 LEU N 1.0 . . . 15 15 A 78 GLU H A 78 GLU N 1.0 . . . 16 16 A 79 ALA H A 79 ALA N 1.0 . . . 17 17 A 80 VAL H A 80 VAL N 1.0 . . . 18 18 A 81 GLN H A 81 GLN N 1.0 . . . 19 19 A 82 LYS H A 82 LYS N 1.0 . . . 20 20 A 83 GLU H A 83 GLU N 1.0 . . . 21 21 A 84 LEU H A 84 LEU N 1.0 . . . 22 22 A 85 LEU H A 85 LEU N 1.0 . . . 23 23 A 86 ALA H A 86 ALA N 1.0 . . . 24 24 A 87 GLU H A 87 GLU N 1.0 . . . 25 25 A 88 TRP H A 88 TRP N 1.0 . . . 26 26 A 89 LYS H A 89 LYS N 1.0 . . . 27 27 A 90 ARG H A 90 ARG N 1.0 . . . 28 28 A 91 THR H A 91 THR N 1.0 . . . 29 29 A 60 GLU HA A 60 GLU CA 1.0 . . . 30 30 A 61 LYS HA A 61 LYS CA 1.0 . . . 31 31 A 62 ILE HA A 62 ILE CA 1.0 . . . 32 32 A 63 THR HA A 63 THR CA 1.0 . . . 33 33 A 65 PRO HA A 65 PRO CA 1.0 . . . 34 34 A 66 SER HA A 66 SER CA 1.0 . . . 35 35 A 67 ASP HA A 67 ASP CA 1.0 . . . 36 36 A 68 ILE HA A 68 ILE CA 1.0 . . . 37 37 A 70 PRO HA A 70 PRO CA 1.0 . . . 38 38 A 71 GLN HA A 71 GLN CA 1.0 . . . 39 39 A 72 VAL HA A 72 VAL CA 1.0 . . . 40 40 A 73 PHE HA A 73 PHE CA 1.0 . . . 41 41 A 74 TYR HA A 74 TYR CA 1.0 . . . 42 42 A 75 GLU HA A 75 GLU CA 1.0 . . . 43 43 A 77 PRO HA A 77 PRO CA 1.0 . . . 44 44 A 78 GLU HA A 78 GLU CA 1.0 . . . 45 45 A 79 ALA HA A 79 ALA CA 1.0 . . . 46 46 A 80 VAL HA A 80 VAL CA 1.0 . . . 47 47 A 81 GLN HA A 81 GLN CA 1.0 . . . 48 48 A 82 LYS HA A 82 LYS CA 1.0 . . . 49 49 A 83 GLU HA A 83 GLU CA 1.0 . . . 50 50 A 84 LEU HA A 84 LEU CA 1.0 . . . 51 51 A 85 LEU HA A 85 LEU CA 1.0 . . . 52 52 A 86 ALA HA A 86 ALA CA 1.0 . . . 53 53 A 87 GLU HA A 87 GLU CA 1.0 . . . 54 54 A 88 TRP HA A 88 TRP CA 1.0 . . . 55 55 A 89 LYS HA A 89 LYS CA 1.0 . . . 56 56 A 90 ARG HA A 90 ARG CA 1.0 . . . 57 57 A 91 THR HA A 91 THR CA 1.0 . . . 58 58 A 62 ILE N A 62 ILE H 1.0 . . . 59 59 A 63 THR N A 63 THR H 1.0 . . . 60 60 A 64 PHE N A 64 PHE H 1.0 . . . 61 61 A 68 ILE N A 68 ILE H 1.0 . . . 62 62 A 69 ASP N A 69 ASP H 1.0 . . . 63 63 A 71 GLN N A 71 GLN H 1.0 . . . 64 64 A 72 VAL N A 72 VAL H 1.0 . . . 65 65 A 74 TYR N A 74 TYR H 1.0 . . . 66 66 A 75 GLU N A 75 GLU H 1.0 . . . 67 67 A 76 LEU N A 76 LEU H 1.0 . . . 68 68 A 79 ALA N A 79 ALA H 1.0 . . . 69 69 A 80 VAL N A 80 VAL H 1.0 . . . 70 70 A 81 GLN N A 81 GLN H 1.0 . . . 71 71 A 82 LYS N A 82 LYS H 1.0 . . . 72 72 A 83 GLU N A 83 GLU H 1.0 . . . 73 73 A 85 LEU N A 85 LEU H 1.0 . . . 74 74 A 86 ALA N A 86 ALA H 1.0 . . . 75 75 A 87 GLU N A 87 GLU H 1.0 . . . 76 76 A 88 TRP N A 88 TRP H 1.0 . . . 77 77 A 88 TRP NE1 A 88 TRP HE1 1.0 . . . 78 78 A 90 ARG N A 90 ARG H 1.0 . . . 79 79 A 91 THR N A 91 THR H 1.0 . . . 80 80 A 92 GLY N A 92 GLY H 1.0 . . . 81 81 A 61 LYS CA A 61 LYS HA 1.0 . . . 82 82 A 62 ILE CA A 62 ILE HA 1.0 . . . 83 83 A 63 THR CA A 63 THR HA 1.0 . . . 84 84 A 67 ASP CA A 67 ASP HA 1.0 . . . 85 85 A 70 PRO CA A 70 PRO HA 1.0 . . . 86 86 A 72 VAL CA A 72 VAL HA 1.0 . . . 87 87 A 73 PHE CA A 73 PHE HA 1.0 . . . 88 88 A 74 TYR CA A 74 TYR HA 1.0 . . . 89 89 A 75 GLU CA A 75 GLU HA 1.0 . . . 90 90 A 77 PRO CA A 77 PRO HA 1.0 . . . 91 91 A 78 GLU CA A 78 GLU HA 1.0 . . . 92 92 A 81 GLN CA A 81 GLN HA 1.0 . . . 93 93 A 85 LEU CA A 85 LEU HA 1.0 . . . 94 94 A 86 ALA CA A 86 ALA HA 1.0 . . . 95 95 A 87 GLU CA A 87 GLU HA 1.0 . . . 96 96 A 88 TRP CA A 88 TRP HA 1.0 . . . 97 97 A 89 LYS CA A 89 LYS HA 1.0 . . . 98 98 A 90 ARG CA A 90 ARG HA 1.0 . . . stop_ save_