data_nef_c16887_2k4e save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 16888 BMRB 16889 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 2 GLY start . false 2 A 3 ALA middle . . 3 A 4 ARG middle . . 4 A 5 ASN middle . . 5 A 6 SER middle . . 6 A 7 VAL middle . . 7 A 8 LEU middle . . 8 A 9 ARG middle . . 9 A 10 GLY middle . false 10 A 11 LYS middle . . 11 A 12 LYS middle . . 12 A 13 ALA middle . . 13 A 14 ASP middle . . 14 A 15 GLU middle . . 15 A 16 LEU middle . . 16 A 17 GLU middle . . 17 A 18 ARG middle . . 18 A 19 ILE middle . . 19 A 20 ARG middle . . 20 A 21 LEU middle . . 21 A 22 ARG middle . . 22 A 23 PRO middle . false 23 A 24 GLY middle . false 24 A 25 GLY middle . false 25 A 26 LYS middle . . 26 A 27 LYS middle . . 27 A 28 LYS middle . . 28 A 29 TYR middle . . 29 A 30 ARG middle . . 30 A 31 LEU middle . . 31 A 32 LYS middle . . 32 A 33 HIS middle . . 33 A 34 ILE middle . . 34 A 35 VAL middle . . 35 A 36 TRP middle . . 36 A 37 ALA middle . . 37 A 38 ALA middle . . 38 A 39 ASN middle . . 39 A 40 LYS middle . . 40 A 41 LEU middle . . 41 A 42 ASP middle . . 42 A 43 ARG middle . . 43 A 44 PHE middle . . 44 A 45 GLY middle . false 45 A 46 LEU middle . . 46 A 47 ALA middle . . 47 A 48 GLU middle . . 48 A 49 SER middle . . 49 A 50 LEU middle . . 50 A 51 LEU middle . . 51 A 52 GLU middle . . 52 A 53 SER middle . . 53 A 54 LYS middle . . 54 A 55 GLU middle . . 55 A 56 GLY middle . false 56 A 57 CYS middle . . 57 A 58 GLN middle . . 58 A 59 LYS middle . . 59 A 60 ILE middle . . 60 A 61 LEU middle . . 61 A 62 THR middle . . 62 A 63 VAL middle . . 63 A 64 LEU middle . . 64 A 65 ASP middle . . 65 A 66 PRO middle . false 66 A 67 MET middle . . 67 A 68 VAL middle . . 68 A 69 PRO middle . false 69 A 70 THR middle . . 70 A 71 GLY middle . false 71 A 72 SER middle . . 72 A 73 GLU middle . . 73 A 74 ASN middle . . 74 A 75 LEU middle . . 75 A 76 LYS middle . . 76 A 77 SER middle . . 77 A 78 LEU middle . . 78 A 79 PHE middle . . 79 A 80 ASN middle . . 80 A 81 THR middle . . 81 A 82 VAL middle . . 82 A 83 CYS middle . . 83 A 84 VAL middle . . 84 A 85 ILE middle . . 85 A 86 TRP middle . . 86 A 87 CYS middle . . 87 A 88 ILE middle . . 88 A 89 HIS middle . . 89 A 90 ALA middle . . 90 A 91 GLU middle . . 91 A 92 GLU middle . . 92 A 93 LYS middle . . 93 A 94 VAL middle . . 94 A 95 LYS middle . . 95 A 96 ASP middle . . 96 A 97 THR middle . . 97 A 98 GLU middle . . 98 A 99 GLY middle . false 99 A 100 ALA middle . . 100 A 101 LYS middle . . 101 A 102 GLN middle . . 102 A 103 ILE middle . . 103 A 104 VAL middle . . 104 A 105 ARG middle . . 105 A 106 ARG middle . . 106 A 107 HIS middle . . 107 A 108 LEU middle . . 108 A 109 VAL middle . . 109 A 110 ALA middle . . 110 A 111 GLU middle . . 111 A 112 THR middle . . 112 A 113 GLY middle . false 113 A 114 THR middle . . 114 A 115 ALA middle . . 115 A 116 GLU middle . . 116 A 117 LYS middle . . 117 A 118 MET middle . . 118 A 119 PRO middle . false 119 A 120 SER middle . . 120 A 121 THR middle . . 121 A 122 SER middle . . 122 A 123 ARG middle . . 123 A 124 PRO middle . false 124 A 125 THR middle . . 125 A 126 ALA middle . . 126 A 127 PRO middle . false 127 A 128 SER middle . . 128 A 129 SER middle . . 129 A 130 GLU middle . . 130 A 131 LYS middle . . 131 A 132 GLY middle . false 132 A 133 GLY middle . false 133 A 134 ASN middle . . 134 A 135 TYR 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 5 ASN H H 1 8.266 0.02 A 5 ASN N N 15 118.220 0.05 A 6 SER H H 1 8.256 0.02 A 6 SER HA H 1 4.350 0.02 A 6 SER HB2 H 1 3.760 0.02 A 6 SER HB3 H 1 3.850 0.02 A 6 SER CA C 13 55.753 0.05 A 6 SER CB C 13 60.194 0.05 A 6 SER N N 15 115.830 0.05 A 7 VAL H H 1 8.105 0.02 A 7 VAL HA H 1 3.736 0.02 A 7 VAL HB H 1 2.075 0.02 A 7 VAL HG1% H 1 0.820 0.02 A 7 VAL HG2% H 1 0.845 0.02 A 7 VAL CA C 13 62.727 0.05 A 7 VAL CB C 13 29.457 0.05 A 7 VAL CGx C 13 18.854 0.05 A 7 VAL CGy C 13 18.913 0.05 A 7 VAL N N 15 120.437 0.05 A 8 LEU H H 1 7.766 0.02 A 8 LEU HA H 1 4.508 0.02 A 8 LEU HBx H 1 1.590 0.02 A 8 LEU HD1% H 1 0.810 0.02 A 8 LEU HD2% H 1 0.701 0.02 A 8 LEU HG H 1 1.471 0.02 A 8 LEU CA C 13 50.441 0.05 A 8 LEU CB C 13 40.269 0.05 A 8 LEU CDy C 13 23.941 0.05 A 8 LEU CDx C 13 20.750 0.05 A 8 LEU CG C 13 24.454 0.05 A 8 LEU N N 15 117.312 0.05 A 9 ARG H H 1 8.312 0.02 A 9 ARG HA H 1 4.506 0.02 A 9 ARG HBx H 1 1.528 0.02 A 9 ARG HGy H 1 1.826 0.02 A 9 ARG HGx H 1 1.720 0.02 A 9 ARG CA C 13 51.974 0.05 A 9 ARG CB C 13 24.455 0.05 A 9 ARG CG C 13 30.125 0.05 A 9 ARG N N 15 120.125 0.05 A 10 GLY H H 1 8.742 0.02 A 10 GLY HAx H 1 3.790 0.02 A 10 GLY HAy H 1 3.980 0.02 A 10 GLY CA C 13 43.914 0.05 A 10 GLY N N 15 109.836 0.05 A 11 LYS HA H 1 4.104 0.02 A 11 LYS HBx H 1 1.907 0.02 A 11 LYS HEx H 1 3.030 0.02 A 11 LYS HGx H 1 1.526 0.02 A 11 LYS CA C 13 56.465 0.05 A 11 LYS CB C 13 29.451 0.05 A 11 LYS CD C 13 26.460 0.05 A 11 LYS CE C 13 39.204 0.05 A 11 LYS CG C 13 21.950 0.05 A 12 LYS H H 1 7.796 0.02 A 12 LYS HA H 1 3.884 0.02 A 12 LYS HBx H 1 1.907 0.02 A 12 LYS HDx H 1 1.653 0.02 A 12 LYS HGx H 1 1.805 0.02 A 12 LYS CA C 13 57.606 0.05 A 12 LYS CB C 13 29.894 0.05 A 12 LYS CD C 13 26.852 0.05 A 12 LYS CG C 13 21.957 0.05 A 12 LYS N N 15 117.625 0.05 A 13 ALA H H 1 6.793 0.02 A 13 ALA HA H 1 3.828 0.02 A 13 ALA HB% H 1 1.294 0.02 A 13 ALA CA C 13 52.018 0.05 A 13 ALA CB C 13 15.157 0.05 A 13 ALA N N 15 120.125 0.05 A 14 ASP H H 1 7.383 0.02 A 14 ASP HA H 1 4.247 0.02 A 14 ASP HBy H 1 2.715 0.02 A 14 ASP HBx H 1 2.621 0.02 A 14 ASP CA C 13 54.570 0.05 A 14 ASP CB C 13 37.723 0.05 A 14 ASP N N 15 116.375 0.05 A 15 GLU H H 1 7.693 0.02 A 15 GLU HA H 1 3.864 0.02 A 15 GLU HBy H 1 2.017 0.02 A 15 GLU HBx H 1 1.925 0.02 A 15 GLU HGx H 1 2.231 0.02 A 15 GLU CA C 13 56.078 0.05 A 15 GLU CB C 13 26.548 0.05 A 15 GLU CG C 13 32.690 0.05 A 15 GLU N N 15 118.250 0.05 A 16 LEU H H 1 7.324 0.02 A 16 LEU HA H 1 3.630 0.02 A 16 LEU HBx H 1 1.603 0.02 A 16 LEU HBy H 1 1.663 0.02 A 16 LEU HD1% H 1 0.719 0.02 A 16 LEU HD2% H 1 0.534 0.02 A 16 LEU HG H 1 1.418 0.02 A 16 LEU CA C 13 55.857 0.05 A 16 LEU CB C 13 38.871 0.05 A 16 LEU CDy C 13 22.811 0.05 A 16 LEU CDx C 13 21.077 0.05 A 16 LEU CG C 13 23.936 0.05 A 16 LEU N N 15 119.187 0.05 A 17 GLU H H 1 6.808 0.02 A 17 GLU HA H 1 4.747 0.02 A 17 GLU HBy H 1 2.215 0.02 A 17 GLU HBx H 1 2.032 0.02 A 17 GLU HGy H 1 2.596 0.02 A 17 GLU HGx H 1 2.436 0.02 A 17 GLU CA C 13 54.522 0.05 A 17 GLU CB C 13 26.644 0.05 A 17 GLU CG C 13 34.621 0.05 A 17 GLU N N 15 110.125 0.05 A 18 ARG H H 1 7.354 0.02 A 18 ARG HA H 1 4.414 0.02 A 18 ARG HBy H 1 1.992 0.02 A 18 ARG HBx H 1 1.879 0.02 A 18 ARG HGy H 1 1.822 0.02 A 18 ARG HGx H 1 1.610 0.02 A 18 ARG CA C 13 53.773 0.05 A 18 ARG CB C 13 28.773 0.05 A 18 ARG CG C 13 25.257 0.05 A 18 ARG N N 15 115.437 0.05 A 19 ILE H H 1 7.884 0.02 A 19 ILE HA H 1 3.686 0.02 A 19 ILE HB H 1 2.002 0.02 A 19 ILE HD1% H 1 0.623 0.02 A 19 ILE HG12 H 1 1.896 0.02 A 19 ILE HG13 H 1 0.912 0.02 A 19 ILE HG2% H 1 0.693 0.02 A 19 ILE CA C 13 59.810 0.05 A 19 ILE CB C 13 35.785 0.05 A 19 ILE CD1 C 13 12.140 0.05 A 19 ILE CG1 C 13 25.092 0.05 A 19 ILE CG2 C 13 14.148 0.05 A 19 ILE N N 15 122.937 0.05 A 20 ARG H H 1 8.076 0.02 A 20 ARG HA H 1 4.488 0.02 A 20 ARG HBy H 1 1.842 0.02 A 20 ARG HBx H 1 1.724 0.02 A 20 ARG HDx H 1 2.910 0.02 A 20 ARG HGy H 1 2.121 0.02 A 20 ARG HGx H 1 1.695 0.02 A 20 ARG CA C 13 53.810 0.05 A 20 ARG CB C 13 26.404 0.05 A 20 ARG CD C 13 39.320 0.05 A 20 ARG CG C 13 28.820 0.05 A 20 ARG N N 15 125.750 0.05 A 21 LEU H H 1 7.973 0.02 A 21 LEU HBy H 1 1.478 0.02 A 21 LEU HBx H 1 1.266 0.02 A 21 LEU HD1% H 1 0.331 0.02 A 21 LEU HD2% H 1 -0.410 0.02 A 21 LEU HG H 1 0.790 0.02 A 21 LEU CB C 13 39.222 0.05 A 21 LEU CDy C 13 21.703 0.05 A 21 LEU CDx C 13 18.204 0.05 A 21 LEU CG C 13 24.952 0.05 A 21 LEU N N 15 120.750 0.05 A 22 ARG H H 1 9.063 0.02 A 22 ARG HA H 1 4.924 0.02 A 22 ARG HBy H 1 1.733 0.02 A 22 ARG HBx H 1 1.652 0.02 A 22 ARG HDx H 1 3.296 0.02 A 22 ARG HGy H 1 1.614 0.02 A 22 ARG HGx H 1 1.473 0.02 A 22 ARG CA C 13 49.692 0.05 A 22 ARG CB C 13 28.917 0.05 A 22 ARG CD C 13 40.764 0.05 A 22 ARG CG C 13 23.989 0.05 A 22 ARG N N 15 119.812 0.05 A 23 PRO HA H 1 4.432 0.02 A 23 PRO HBx H 1 2.315 0.02 A 23 PRO HDx H 1 3.715 0.02 A 23 PRO HGx H 1 1.990 0.02 A 23 PRO CA C 13 60.572 0.05 A 23 PRO CB C 13 29.256 0.05 A 23 PRO CD C 13 48.070 0.05 A 23 PRO CG C 13 25.099 0.05 A 24 GLY H H 1 9.132 0.02 A 24 GLY HAy H 1 4.000 0.02 A 24 GLY HAx H 1 3.811 0.02 A 24 GLY CA C 13 41.200 0.05 A 24 GLY N N 15 112.373 0.05 A 25 GLY H H 1 8.135 0.02 A 25 GLY HAy H 1 4.233 0.02 A 25 GLY HAx H 1 4.224 0.02 A 25 GLY CA C 13 41.684 0.05 A 25 GLY N N 15 108.250 0.05 A 27 LYS H H 1 7.707 0.02 A 27 LYS HA H 1 4.343 0.02 A 27 LYS HBx H 1 1.834 0.02 A 27 LYS HDx H 1 1.702 0.02 A 27 LYS HEx H 1 2.979 0.02 A 27 LYS HGx H 1 1.597 0.02 A 27 LYS CA C 13 54.527 0.05 A 27 LYS CB C 13 31.149 0.05 A 27 LYS CD C 13 26.326 0.05 A 27 LYS CE C 13 39.237 0.05 A 27 LYS CG C 13 22.919 0.05 A 27 LYS N N 15 117.937 0.05 A 28 LYS H H 1 8.547 0.02 A 28 LYS HA H 1 4.942 0.02 A 28 LYS HBy H 1 1.635 0.02 A 28 LYS HBx H 1 1.550 0.02 A 28 LYS HDx H 1 1.656 0.02 A 28 LYS HEx H 1 2.928 0.02 A 28 LYS HGx H 1 1.346 0.02 A 28 LYS CA C 13 52.234 0.05 A 28 LYS CB C 13 33.312 0.05 A 28 LYS CD C 13 26.357 0.05 A 28 LYS CE C 13 39.570 0.05 A 28 LYS CG C 13 22.854 0.05 A 28 LYS N N 15 123.875 0.05 A 29 TYR H H 1 8.046 0.02 A 29 TYR HA H 1 3.908 0.02 A 29 TYR HBx H 1 1.991 0.02 A 29 TYR HBy H 1 2.530 0.02 A 29 TYR HD2 H 1 6.747 0.02 A 29 TYR HE2 H 1 6.746 0.02 A 29 TYR CA C 13 58.279 0.05 A 29 TYR CB C 13 33.848 0.05 A 29 TYR CD2 C 13 135.185 0.05 A 29 TYR CE2 C 13 115.052 0.05 A 29 TYR N N 15 117.937 0.05 A 30 ARG H H 1 10.228 0.02 A 30 ARG HA H 1 4.939 0.02 A 30 ARG HBx H 1 1.531 0.02 A 30 ARG HBy H 1 1.561 0.02 A 30 ARG HDx H 1 3.265 0.02 A 30 ARG HGx H 1 1.782 0.02 A 30 ARG CA C 13 50.197 0.05 A 30 ARG CB C 13 32.831 0.05 A 30 ARG CD C 13 40.841 0.05 A 30 ARG CG C 13 24.007 0.05 A 30 ARG N N 15 118.875 0.05 A 31 LEU H H 1 9.093 0.02 A 31 LEU HA H 1 4.030 0.02 A 31 LEU HBx H 1 1.711 0.02 A 31 LEU HBy H 1 1.747 0.02 A 31 LEU HD1% H 1 0.892 0.02 A 31 LEU HD2% H 1 0.817 0.02 A 31 LEU HG H 1 1.809 0.02 A 31 LEU CA C 13 55.941 0.05 A 31 LEU CB C 13 38.228 0.05 A 31 LEU CDx C 13 20.787 0.05 A 31 LEU CDy C 13 22.794 0.05 A 31 LEU CG C 13 24.511 0.05 A 31 LEU N N 15 122.625 0.05 A 32 LYS H H 1 8.149 0.02 A 32 LYS HA H 1 4.061 0.02 A 32 LYS HBx H 1 1.600 0.02 A 32 LYS HBy H 1 1.750 0.02 A 32 LYS HDx H 1 1.670 0.02 A 32 LYS HGx H 1 1.780 0.02 A 32 LYS CA C 13 56.387 0.05 A 32 LYS CB C 13 28.764 0.05 A 32 LYS CD C 13 25.020 0.05 A 32 LYS CG C 13 22.750 0.05 A 32 LYS N N 15 115.750 0.05 A 33 HIS H H 1 8.149 0.02 A 33 HIS HA H 1 4.329 0.02 A 33 HIS HBx H 1 3.603 0.02 A 33 HIS HD2 H 1 7.030 0.02 A 33 HIS HE1 H 1 7.570 0.02 A 33 HIS CA C 13 59.198 0.05 A 33 HIS CB C 13 28.914 0.05 A 33 HIS CD2 C 13 114.380 0.05 A 33 HIS CE1 C 13 134.636 0.05 A 33 HIS N N 15 119.500 0.05 A 34 ILE H H 1 7.840 0.02 A 34 ILE HA H 1 3.896 0.02 A 34 ILE HB H 1 2.355 0.02 A 34 ILE HD1% H 1 0.700 0.02 A 34 ILE HG1x H 1 1.522 0.02 A 34 ILE HG1y H 1 1.593 0.02 A 34 ILE HG2% H 1 0.954 0.02 A 34 ILE CA C 13 60.758 0.05 A 34 ILE CB C 13 33.280 0.05 A 34 ILE CD1 C 13 8.840 0.05 A 34 ILE CG1 C 13 25.318 0.05 A 34 ILE CG2 C 13 15.352 0.05 A 34 ILE N N 15 118.875 0.05 A 35 VAL H H 1 7.545 0.02 A 35 VAL HA H 1 3.662 0.02 A 35 VAL HB H 1 2.115 0.02 A 35 VAL HG1% H 1 0.989 0.02 A 35 VAL HG2% H 1 1.002 0.02 A 35 VAL CA C 13 63.825 0.05 A 35 VAL CB C 13 29.499 0.05 A 35 VAL CGy C 13 19.533 0.05 A 35 VAL CGx C 13 19.370 0.05 A 35 VAL N N 15 121.375 0.05 A 36 TRP H H 1 8.002 0.02 A 36 TRP HA H 1 4.272 0.02 A 36 TRP HBy H 1 3.475 0.02 A 36 TRP HBx H 1 3.457 0.02 A 36 TRP HD1 H 1 7.311 0.02 A 36 TRP HE1 H 1 10.257 0.02 A 36 TRP HH2 H 1 7.444 0.02 A 36 TRP HZ2 H 1 7.444 0.02 A 36 TRP HZ3 H 1 6.805 0.02 A 36 TRP CA C 13 58.844 0.05 A 36 TRP CB C 13 26.327 0.05 A 36 TRP CD1 C 13 125.116 0.05 A 36 TRP CH2 C 13 121.672 0.05 A 36 TRP CZ2 C 13 111.555 0.05 A 36 TRP CZ3 C 13 118.272 0.05 A 36 TRP N N 15 118.875 0.05 A 36 TRP NE1 N 15 129.812 0.05 A 37 ALA H H 1 7.899 0.02 A 37 ALA HA H 1 3.700 0.02 A 37 ALA HB% H 1 1.564 0.02 A 37 ALA CA C 13 52.564 0.05 A 37 ALA N N 15 119.812 0.05 A 38 ALA H H 1 8.459 0.02 A 38 ALA HA H 1 3.848 0.02 A 38 ALA HB% H 1 1.499 0.02 A 38 ALA CA C 13 52.653 0.05 A 38 ALA CB C 13 15.279 0.05 A 38 ALA N N 15 118.875 0.05 A 39 ASN H H 1 7.707 0.02 A 39 ASN HA H 1 4.478 0.02 A 39 ASN HBy H 1 2.866 0.02 A 39 ASN HBx H 1 2.713 0.02 A 39 ASN HD2y H 1 6.894 0.02 A 39 ASN CA C 13 52.662 0.05 A 39 ASN CB C 13 36.265 0.05 A 39 ASN N N 15 113.562 0.05 A 39 ASN ND2 N 15 112.298 0.05 A 40 LYS H H 1 7.589 0.02 A 40 LYS HA H 1 4.115 0.02 A 40 LYS HBx H 1 1.654 0.02 A 40 LYS HDx H 1 1.300 0.02 A 40 LYS HEx H 1 2.385 0.02 A 40 LYS HGx H 1 1.276 0.02 A 40 LYS CA C 13 52.217 0.05 A 40 LYS CB C 13 30.109 0.05 A 40 LYS CD C 13 24.893 0.05 A 40 LYS CE C 13 39.498 0.05 A 40 LYS CG C 13 25.221 0.05 A 40 LYS N N 15 117.625 0.05 A 41 LEU H H 1 7.530 0.02 A 41 LEU HA H 1 4.046 0.02 A 41 LEU HBy H 1 1.807 0.02 A 41 LEU HBx H 1 1.705 0.02 A 41 LEU HD1% H 1 0.866 0.02 A 41 LEU HD2% H 1 0.858 0.02 A 41 LEU HG H 1 2.036 0.02 A 41 LEU CA C 13 55.692 0.05 A 41 LEU CB C 13 38.314 0.05 A 41 LEU CD1 C 13 24.024 0.05 A 41 LEU CD2 C 13 21.133 0.05 A 41 LEU CG C 13 23.594 0.05 A 41 LEU N N 15 117.625 0.05 A 42 ASP H H 1 7.987 0.02 A 42 ASP HA H 1 4.368 0.02 A 42 ASP HBy H 1 2.754 0.02 A 42 ASP HBx H 1 2.676 0.02 A 42 ASP CA C 13 54.887 0.05 A 42 ASP CB C 13 38.554 0.05 A 42 ASP N N 15 118.875 0.05 A 43 ARG H H 1 7.530 0.02 A 43 ARG HA H 1 3.997 0.02 A 43 ARG HBx H 1 1.458 0.02 A 43 ARG HBy H 1 1.587 0.02 A 43 ARG HDx H 1 2.984 0.02 A 43 ARG HGx H 1 1.365 0.02 A 43 ARG CA C 13 55.160 0.05 A 43 ARG CB C 13 26.574 0.05 A 43 ARG CD C 13 40.200 0.05 A 43 ARG CG C 13 23.907 0.05 A 43 ARG N N 15 118.562 0.05 A 44 PHE H H 1 7.545 0.02 A 44 PHE HA H 1 4.453 0.02 A 44 PHE HBx H 1 2.701 0.02 A 44 PHE HBy H 1 3.394 0.02 A 44 PHE HDy H 1 7.215 0.02 A 44 PHE CA C 13 54.596 0.05 A 44 PHE CB C 13 37.608 0.05 A 44 PHE CD2 C 13 129.008 0.05 A 44 PHE N N 15 115.750 0.05 A 45 GLY H H 1 7.884 0.02 A 45 GLY HAy H 1 3.933 0.02 A 45 GLY HAx H 1 3.876 0.02 A 45 GLY CA C 13 43.374 0.05 A 45 GLY N N 15 107.574 0.05 A 46 LEU H H 1 7.059 0.02 A 46 LEU HA H 1 4.580 0.02 A 46 LEU HBy H 1 1.760 0.02 A 46 LEU HBx H 1 1.243 0.02 A 46 LEU HD1% H 1 0.877 0.02 A 46 LEU HD2% H 1 0.849 0.02 A 46 LEU HG H 1 1.618 0.02 A 46 LEU CA C 13 50.164 0.05 A 46 LEU CB C 13 41.618 0.05 A 46 LEU CDy C 13 24.166 0.05 A 46 LEU CDx C 13 20.306 0.05 A 46 LEU CG C 13 23.728 0.05 A 46 LEU N N 15 119.500 0.05 A 47 ALA H H 1 7.781 0.02 A 47 ALA HA H 1 4.324 0.02 A 47 ALA HB% H 1 1.412 0.02 A 47 ALA CA C 13 52.041 0.05 A 47 ALA CB C 13 17.085 0.05 A 47 ALA N N 15 124.812 0.05 A 48 GLU H H 1 8.592 0.02 A 48 GLU HA H 1 3.935 0.02 A 48 GLU HBy H 1 2.108 0.02 A 48 GLU HBx H 1 2.004 0.02 A 48 GLU HGy H 1 2.296 0.02 A 48 GLU HGx H 1 2.229 0.02 A 48 GLU CA C 13 56.739 0.05 A 48 GLU CB C 13 26.847 0.05 A 48 GLU CG C 13 33.473 0.05 A 48 GLU N N 15 121.062 0.05 A 49 SER H H 1 7.943 0.02 A 49 SER HA H 1 4.140 0.02 A 49 SER HBx H 1 3.884 0.02 A 49 SER CA C 13 57.373 0.05 A 49 SER CB C 13 59.587 0.05 A 49 SER N N 15 112.312 0.05 A 50 LEU H H 1 7.855 0.02 A 50 LEU HA H 1 4.028 0.02 A 50 LEU HBy H 1 1.874 0.02 A 50 LEU HBx H 1 1.572 0.02 A 50 LEU HD1% H 1 0.951 0.02 A 50 LEU HD2% H 1 0.951 0.02 A 50 LEU HG H 1 1.826 0.02 A 50 LEU CA C 13 54.929 0.05 A 50 LEU CB C 13 38.904 0.05 A 50 LEU CD1 C 13 23.590 0.05 A 50 LEU CD2 C 13 20.077 0.05 A 50 LEU CG C 13 25.095 0.05 A 50 LEU N N 15 124.500 0.05 A 51 LEU H H 1 7.442 0.02 A 51 LEU HA H 1 4.257 0.02 A 51 LEU HBx H 1 1.529 0.02 A 51 LEU HBy H 1 1.890 0.02 A 51 LEU HD1% H 1 0.882 0.02 A 51 LEU HD2% H 1 0.903 0.02 A 51 LEU HG H 1 1.692 0.02 A 51 LEU CA C 13 53.190 0.05 A 51 LEU CB C 13 40.226 0.05 A 51 LEU CD1 C 13 21.326 0.05 A 51 LEU CD2 C 13 23.239 0.05 A 51 LEU CG C 13 24.042 0.05 A 51 LEU N N 15 111.375 0.05 A 52 GLU H H 1 7.368 0.02 A 52 GLU HA H 1 4.011 0.02 A 52 GLU HBx H 1 2.189 0.02 A 52 GLU HGy H 1 2.276 0.02 A 52 GLU HGx H 1 2.275 0.02 A 52 GLU CA C 13 54.757 0.05 A 52 GLU CB C 13 27.642 0.05 A 52 GLU CG C 13 34.538 0.05 A 52 GLU N N 15 112.937 0.05 A 53 SER H H 1 7.383 0.02 A 53 SER HA H 1 3.960 0.02 A 53 SER HBy H 1 4.022 0.02 A 53 SER HBx H 1 3.635 0.02 A 53 SER CA C 13 53.305 0.05 A 53 SER CB C 13 65.162 0.05 A 53 SER N N 15 110.125 0.05 A 54 LYS H H 1 9.004 0.02 A 54 LYS HA H 1 3.645 0.02 A 54 LYS HBy H 1 1.526 0.02 A 54 LYS HBx H 1 1.366 0.02 A 54 LYS HDx H 1 1.193 0.02 A 54 LYS HEx H 1 2.715 0.02 A 54 LYS HGx H 1 1.116 0.02 A 54 LYS CA C 13 57.687 0.05 A 54 LYS CB C 13 30.076 0.05 A 54 LYS CD C 13 27.170 0.05 A 54 LYS CE C 13 38.849 0.05 A 54 LYS CG C 13 21.291 0.05 A 54 LYS N N 15 123.250 0.05 A 55 GLU H H 1 9.122 0.02 A 55 GLU HA H 1 3.998 0.02 A 55 GLU HBy H 1 2.013 0.02 A 55 GLU HBx H 1 1.918 0.02 A 55 GLU HGx H 1 2.452 0.02 A 55 GLU CA C 13 57.617 0.05 A 55 GLU CB C 13 25.878 0.05 A 55 GLU CG C 13 34.403 0.05 A 55 GLU N N 15 118.562 0.05 A 56 GLY H H 1 8.444 0.02 A 56 GLY HAy H 1 4.622 0.02 A 56 GLY HAx H 1 3.854 0.02 A 56 GLY CA C 13 45.547 0.05 A 56 GLY N N 15 111.375 0.05 A 57 CYS H H 1 8.282 0.02 A 57 CYS HA H 1 4.109 0.02 A 57 CYS HBx H 1 2.578 0.02 A 57 CYS HBy H 1 3.591 0.02 A 57 CYS CA C 13 61.904 0.05 A 57 CYS CB C 13 45.098 0.05 A 57 CYS N N 15 119.187 0.05 A 58 GLN H H 1 8.680 0.02 A 58 GLN HA H 1 3.777 0.02 A 58 GLN HBx H 1 2.398 0.02 A 58 GLN HE2y H 1 7.592 0.02 A 58 GLN HE2x H 1 6.967 0.02 A 58 GLN HGy H 1 2.408 0.02 A 58 GLN HGx H 1 2.348 0.02 A 58 GLN CA C 13 57.611 0.05 A 58 GLN CB C 13 25.094 0.05 A 58 GLN CG C 13 31.456 0.05 A 58 GLN N N 15 120.125 0.05 A 58 GLN NE2 N 15 111.182 0.05 A 59 LYS H H 1 7.766 0.02 A 59 LYS HA H 1 4.101 0.02 A 59 LYS HBy H 1 2.224 0.02 A 59 LYS HBx H 1 2.101 0.02 A 59 LYS HDx H 1 1.695 0.02 A 59 LYS HEx H 1 2.935 0.02 A 59 LYS HGx H 1 1.420 0.02 A 59 LYS CA C 13 57.495 0.05 A 59 LYS CB C 13 28.840 0.05 A 59 LYS CD C 13 24.507 0.05 A 59 LYS CE C 13 39.247 0.05 A 59 LYS CG C 13 22.706 0.05 A 59 LYS N N 15 121.375 0.05 A 60 ILE H H 1 7.796 0.02 A 60 ILE HA H 1 3.732 0.02 A 60 ILE HB H 1 2.081 0.02 A 60 ILE HD1% H 1 0.855 0.02 A 60 ILE HG1x H 1 0.919 0.02 A 60 ILE HG1y H 1 2.101 0.02 A 60 ILE HG2% H 1 0.819 0.02 A 60 ILE CA C 13 62.795 0.05 A 60 ILE CB C 13 35.437 0.05 A 60 ILE CD1 C 13 12.734 0.05 A 60 ILE CG1 C 13 25.745 0.05 A 60 ILE CG2 C 13 15.755 0.05 A 60 ILE N N 15 117.312 0.05 A 61 LEU H H 1 8.430 0.02 A 61 LEU HA H 1 3.844 0.02 A 61 LEU HBy H 1 1.763 0.02 A 61 LEU HBx H 1 1.180 0.02 A 61 LEU HD1% H 1 0.431 0.02 A 61 LEU HD2% H 1 0.265 0.02 A 61 LEU HG H 1 1.750 0.02 A 61 LEU CA C 13 55.854 0.05 A 61 LEU CB C 13 39.354 0.05 A 61 LEU CDy C 13 23.463 0.05 A 61 LEU CDx C 13 21.791 0.05 A 61 LEU CG C 13 23.924 0.05 A 61 LEU N N 15 117.625 0.05 A 62 THR H H 1 8.135 0.02 A 62 THR HA H 1 3.991 0.02 A 62 THR HB H 1 4.350 0.02 A 62 THR HG2% H 1 1.315 0.02 A 62 THR CA C 13 63.844 0.05 A 62 THR CB C 13 66.657 0.05 A 62 THR CG2 C 13 18.851 0.05 A 62 THR N N 15 112.937 0.05 A 63 VAL H H 1 7.516 0.02 A 63 VAL HA H 1 3.716 0.02 A 63 VAL HB H 1 2.213 0.02 A 63 VAL HG1% H 1 1.087 0.02 A 63 VAL HG2% H 1 0.904 0.02 A 63 VAL CA C 13 63.263 0.05 A 63 VAL CB C 13 29.353 0.05 A 63 VAL CGy C 13 20.174 0.05 A 63 VAL CGx C 13 18.616 0.05 A 63 VAL N N 15 121.375 0.05 A 64 LEU H H 1 8.120 0.02 A 64 LEU HA H 1 4.130 0.02 A 64 LEU HBy H 1 1.943 0.02 A 64 LEU HBx H 1 1.305 0.02 A 64 LEU HD1% H 1 0.564 0.02 A 64 LEU HD2% H 1 0.274 0.02 A 64 LEU HG H 1 1.886 0.02 A 64 LEU CA C 13 54.181 0.05 A 64 LEU CB C 13 41.152 0.05 A 64 LEU CDy C 13 23.772 0.05 A 64 LEU CDx C 13 18.585 0.05 A 64 LEU CG C 13 23.369 0.05 A 64 LEU N N 15 114.500 0.05 A 65 ASP H H 1 8.223 0.02 A 65 ASP HA H 1 4.233 0.02 A 65 ASP HBy H 1 3.080 0.02 A 65 ASP HBx H 1 2.665 0.02 A 65 ASP CA C 13 57.009 0.05 A 65 ASP CB C 13 36.997 0.05 A 65 ASP N N 15 117.729 0.05 A 66 PRO HA H 1 4.391 0.02 A 66 PRO HBx H 1 2.306 0.02 A 66 PRO HDy H 1 3.630 0.02 A 66 PRO HDx H 1 3.599 0.02 A 66 PRO HGx H 1 1.995 0.02 A 66 PRO CA C 13 62.717 0.05 A 66 PRO CB C 13 28.762 0.05 A 66 PRO CD C 13 47.615 0.05 A 66 PRO CG C 13 25.673 0.05 A 67 MET H H 1 7.899 0.02 A 67 MET HA H 1 4.228 0.02 A 67 MET HBx H 1 2.133 0.02 A 67 MET HE% H 1 2.153 0.02 A 67 MET HGx H 1 2.562 0.02 A 67 MET CA C 13 53.472 0.05 A 67 MET CB C 13 31.993 0.05 A 67 MET CE C 13 15.089 0.05 A 67 MET CG C 13 30.132 0.05 A 67 MET N N 15 114.187 0.05 A 68 VAL H H 1 7.265 0.02 A 68 VAL HA H 1 3.387 0.02 A 68 VAL HB H 1 1.969 0.02 A 68 VAL HG1% H 1 0.562 0.02 A 68 VAL HG2% H 1 0.324 0.02 A 68 VAL CA C 13 65.254 0.05 A 68 VAL CB C 13 27.002 0.05 A 68 VAL CGx C 13 18.908 0.05 A 68 VAL CGy C 13 20.455 0.05 A 68 VAL N N 15 119.500 0.05 A 69 PRO HA H 1 4.249 0.02 A 69 PRO HBx H 1 1.813 0.02 A 69 PRO HBy H 1 2.352 0.02 A 69 PRO HDx H 1 3.431 0.02 A 69 PRO HGx H 1 1.855 0.02 A 69 PRO CA C 13 63.917 0.05 A 69 PRO CB C 13 28.903 0.05 A 69 PRO CD C 13 47.097 0.05 A 69 PRO CG C 13 25.768 0.05 A 70 THR H H 1 7.103 0.02 A 70 THR HA H 1 4.584 0.02 A 70 THR HB H 1 4.573 0.02 A 70 THR HG2% H 1 1.119 0.02 A 70 THR CA C 13 57.376 0.05 A 70 THR CB C 13 66.379 0.05 A 70 THR CG2 C 13 18.879 0.05 A 70 THR N N 15 122.937 0.05 A 71 GLY H H 1 7.825 0.02 A 71 GLY HAy H 1 4.365 0.02 A 71 GLY HAx H 1 3.626 0.02 A 71 GLY CA C 13 42.707 0.05 A 71 GLY N N 15 111.062 0.05 A 72 SER H H 1 8.282 0.02 A 72 SER HA H 1 4.591 0.02 A 72 SER HBx H 1 4.232 0.02 A 72 SER CA C 13 54.790 0.05 A 72 SER CB C 13 59.700 0.05 A 72 SER N N 15 115.125 0.05 A 73 GLU H H 1 8.975 0.02 A 73 GLU HA H 1 4.556 0.02 A 73 GLU HBx H 1 2.112 0.02 A 73 GLU HBy H 1 2.112 0.02 A 73 GLU HGx H 1 2.390 0.02 A 73 GLU CA C 13 55.077 0.05 A 73 GLU CB C 13 26.392 0.05 A 73 GLU CG C 13 33.052 0.05 A 73 GLU N N 15 120.437 0.05 A 74 ASN HA H 1 4.736 0.02 A 74 ASN HBy H 1 2.961 0.02 A 74 ASN HBx H 1 2.845 0.02 A 74 ASN CA C 13 53.286 0.05 A 74 ASN CB C 13 35.922 0.05 A 75 LEU H H 1 7.840 0.02 A 75 LEU HA H 1 4.113 0.02 A 75 LEU HBy H 1 1.926 0.02 A 75 LEU HBx H 1 1.828 0.02 A 75 LEU HD1% H 1 0.889 0.02 A 75 LEU HD2% H 1 0.894 0.02 A 75 LEU HG H 1 1.637 0.02 A 75 LEU CA C 13 56.309 0.05 A 75 LEU CB C 13 38.849 0.05 A 75 LEU CDy C 13 23.039 0.05 A 75 LEU CDx C 13 22.953 0.05 A 75 LEU CG C 13 25.691 0.05 A 75 LEU N N 15 123.562 0.05 A 76 LYS H H 1 8.208 0.02 A 76 LYS HA H 1 3.879 0.02 A 76 LYS HBx H 1 1.942 0.02 A 76 LYS HBy H 1 1.942 0.02 A 76 LYS HDx H 1 1.658 0.02 A 76 LYS HEx H 1 2.942 0.02 A 76 LYS HGy H 1 1.516 0.02 A 76 LYS HGx H 1 1.395 0.02 A 76 LYS CA C 13 58.272 0.05 A 76 LYS CB C 13 29.537 0.05 A 76 LYS CD C 13 27.044 0.05 A 76 LYS CE C 13 39.378 0.05 A 76 LYS CG C 13 23.903 0.05 A 76 LYS N N 15 119.500 0.05 A 77 SER H H 1 8.474 0.02 A 77 SER HA H 1 4.344 0.02 A 77 SER HBy H 1 4.210 0.02 A 77 SER HBx H 1 3.957 0.02 A 77 SER CA C 13 59.589 0.05 A 77 SER CB C 13 60.393 0.05 A 77 SER N N 15 113.875 0.05 A 78 LEU H H 1 8.385 0.02 A 78 LEU HA H 1 4.150 0.02 A 78 LEU HBy H 1 2.351 0.02 A 78 LEU HBx H 1 1.691 0.02 A 78 LEU HD1% H 1 0.907 0.02 A 78 LEU HD2% H 1 0.826 0.02 A 78 LEU HG H 1 1.398 0.02 A 78 LEU CA C 13 56.389 0.05 A 78 LEU CB C 13 39.363 0.05 A 78 LEU CDx C 13 21.391 0.05 A 78 LEU CDy C 13 23.340 0.05 A 78 LEU CG C 13 24.590 0.05 A 78 LEU N N 15 125.125 0.05 A 79 PHE H H 1 8.621 0.02 A 79 PHE HA H 1 3.657 0.02 A 79 PHE HBy H 1 3.280 0.02 A 79 PHE HBx H 1 2.791 0.02 A 79 PHE HD1 H 1 7.120 0.02 A 79 PHE HE1 H 1 7.120 0.02 A 79 PHE CA C 13 60.124 0.05 A 79 PHE CB C 13 37.032 0.05 A 79 PHE CD1 C 13 129.352 0.05 A 79 PHE CE1 C 13 129.250 0.05 A 79 PHE N N 15 119.500 0.05 A 80 ASN H H 1 8.754 0.02 A 80 ASN HA H 1 4.202 0.02 A 80 ASN HBy H 1 3.328 0.02 A 80 ASN HBx H 1 2.710 0.02 A 80 ASN HD2y H 1 7.649 0.02 A 80 ASN HD2x H 1 6.822 0.02 A 80 ASN CA C 13 53.829 0.05 A 80 ASN CB C 13 35.617 0.05 A 80 ASN N N 15 118.875 0.05 A 80 ASN ND2 N 15 107.659 0.05 A 81 THR H H 1 8.267 0.02 A 81 THR HA H 1 3.768 0.02 A 81 THR HB H 1 4.479 0.02 A 81 THR HG2% H 1 1.218 0.02 A 81 THR CA C 13 64.957 0.05 A 81 THR CB C 13 65.869 0.05 A 81 THR CG2 C 13 18.664 0.05 A 81 THR N N 15 115.437 0.05 A 82 VAL H H 1 8.385 0.02 A 82 VAL HA H 1 3.526 0.02 A 82 VAL HB H 1 2.003 0.02 A 82 VAL HG1% H 1 0.910 0.02 A 82 VAL HG2% H 1 0.948 0.02 A 82 VAL CA C 13 66.346 0.05 A 82 VAL CB C 13 27.846 0.05 A 82 VAL CGx C 13 20.384 0.05 A 82 VAL CGy C 13 20.461 0.05 A 82 VAL N N 15 121.062 0.05 A 83 CYS H H 1 8.120 0.02 A 83 CYS HA H 1 3.927 0.02 A 83 CYS HBy H 1 3.400 0.02 A 83 CYS HBx H 1 2.014 0.02 A 83 CYS CA C 13 62.762 0.05 A 83 CYS CB C 13 43.856 0.05 A 83 CYS N N 15 118.875 0.05 A 84 VAL H H 1 7.221 0.02 A 84 VAL HA H 1 3.222 0.02 A 84 VAL HB H 1 1.976 0.02 A 84 VAL HG1% H 1 0.763 0.02 A 84 VAL HG2% H 1 0.743 0.02 A 84 VAL CA C 13 64.758 0.05 A 84 VAL CB C 13 28.399 0.05 A 84 VAL CGx C 13 20.363 0.05 A 84 VAL CGy C 13 20.363 0.05 A 84 VAL N N 15 119.812 0.05 A 85 ILE H H 1 7.869 0.02 A 85 ILE HA H 1 3.174 0.02 A 85 ILE HB H 1 1.872 0.02 A 85 ILE HG1y H 1 1.741 0.02 A 85 ILE HG1x H 1 0.768 0.02 A 85 ILE HG2% H 1 0.874 0.02 A 85 ILE CA C 13 63.253 0.05 A 85 ILE CB C 13 34.873 0.05 A 85 ILE CG1 C 13 25.609 0.05 A 85 ILE CG2 C 13 16.398 0.05 A 85 ILE N N 15 118.250 0.05 A 86 TRP H H 1 8.916 0.02 A 86 TRP HA H 1 3.751 0.02 A 86 TRP HBy H 1 3.643 0.02 A 86 TRP HBx H 1 2.939 0.02 A 86 TRP HD1 H 1 7.186 0.02 A 86 TRP HE1 H 1 10.066 0.02 A 86 TRP HZ2 H 1 6.836 0.02 A 86 TRP HZ3 H 1 6.689 0.02 A 86 TRP CA C 13 61.892 0.05 A 86 TRP CB C 13 27.031 0.05 A 86 TRP CD1 C 13 122.719 0.05 A 86 TRP CZ2 C 13 110.151 0.05 A 86 TRP CZ3 C 13 118.221 0.05 A 86 TRP N N 15 119.812 0.05 A 86 TRP NE1 N 15 127.937 0.05 A 87 CYS H H 1 7.752 0.02 A 87 CYS HA H 1 3.869 0.02 A 87 CYS HBy H 1 3.297 0.02 A 87 CYS HBx H 1 3.070 0.02 A 87 CYS CA C 13 62.709 0.05 A 87 CYS CB C 13 43.896 0.05 A 87 CYS N N 15 114.500 0.05 A 88 ILE H H 1 7.693 0.02 A 88 ILE HA H 1 3.740 0.02 A 88 ILE HB H 1 1.754 0.02 A 88 ILE HD1% H 1 0.552 0.02 A 88 ILE HG1x H 1 0.932 0.02 A 88 ILE HG1y H 1 1.513 0.02 A 88 ILE HG2% H 1 0.704 0.02 A 88 ILE CA C 13 61.697 0.05 A 88 ILE CB C 13 34.509 0.05 A 88 ILE CD1 C 13 10.789 0.05 A 88 ILE CG1 C 13 25.623 0.05 A 88 ILE CG2 C 13 14.670 0.05 A 88 ILE N N 15 120.125 0.05 A 89 HIS H H 1 8.120 0.02 A 89 HIS HA H 1 4.360 0.02 A 89 HIS HBy H 1 2.843 0.02 A 89 HIS HBx H 1 2.736 0.02 A 89 HIS HD2 H 1 6.596 0.02 A 89 HIS HE1 H 1 7.544 0.02 A 89 HIS CA C 13 56.290 0.05 A 89 HIS CB C 13 28.337 0.05 A 89 HIS CD2 C 13 115.735 0.05 A 89 HIS CE1 C 13 135.778 0.05 A 89 HIS N N 15 119.500 0.05 A 90 ALA H H 1 8.356 0.02 A 90 ALA HA H 1 3.762 0.02 A 90 ALA HB% H 1 0.341 0.02 A 90 ALA CA C 13 49.495 0.05 A 90 ALA CB C 13 15.702 0.05 A 90 ALA N N 15 119.812 0.05 A 91 GLU H H 1 7.486 0.02 A 91 GLU HA H 1 3.773 0.02 A 91 GLU HBx H 1 2.130 0.02 A 91 GLU HGx H 1 2.134 0.02 A 91 GLU CA C 13 54.561 0.05 A 91 GLU CB C 13 23.894 0.05 A 91 GLU CG C 13 34.454 0.05 A 91 GLU N N 15 113.875 0.05 A 92 GLU H H 1 8.120 0.02 A 92 GLU HA H 1 4.383 0.02 A 92 GLU HBy H 1 1.988 0.02 A 92 GLU HBx H 1 1.542 0.02 A 92 GLU HGx H 1 2.108 0.02 A 92 GLU CA C 13 52.175 0.05 A 92 GLU CB C 13 27.570 0.05 A 92 GLU CG C 13 33.279 0.05 A 92 GLU N N 15 118.562 0.05 A 93 LYS H H 1 8.385 0.02 A 93 LYS HA H 1 4.251 0.02 A 93 LYS HBx H 1 1.733 0.02 A 93 LYS HDx H 1 1.619 0.02 A 93 LYS HEx H 1 3.178 0.02 A 93 LYS HGx H 1 1.395 0.02 A 93 LYS CA C 13 53.165 0.05 A 93 LYS CB C 13 28.678 0.05 A 93 LYS CD C 13 25.607 0.05 A 93 LYS CE C 13 40.725 0.05 A 93 LYS CG C 13 21.451 0.05 A 93 LYS N N 15 124.500 0.05 A 94 VAL H H 1 8.223 0.02 A 94 VAL HA H 1 4.537 0.02 A 94 VAL HB H 1 2.073 0.02 A 94 VAL HG1% H 1 0.896 0.02 A 94 VAL HG2% H 1 0.831 0.02 A 94 VAL CA C 13 56.914 0.05 A 94 VAL CB C 13 33.055 0.05 A 94 VAL CGy C 13 19.950 0.05 A 94 VAL CGx C 13 15.921 0.05 A 94 VAL N N 15 117.937 0.05 A 95 LYS H H 1 9.181 0.02 A 95 LYS HA H 1 4.517 0.02 A 95 LYS HBx H 1 1.892 0.02 A 95 LYS HDx H 1 1.721 0.02 A 95 LYS HEx H 1 3.001 0.02 A 95 LYS HGx H 1 1.492 0.02 A 95 LYS CA C 13 53.787 0.05 A 95 LYS CB C 13 31.725 0.05 A 95 LYS CD C 13 26.349 0.05 A 95 LYS CE C 13 39.403 0.05 A 95 LYS CG C 13 22.746 0.05 A 95 LYS N N 15 118.250 0.05 A 96 ASP H H 1 7.486 0.02 A 96 ASP HA H 1 5.736 0.02 A 96 ASP HBx H 1 2.210 0.02 A 96 ASP HBy H 1 2.884 0.02 A 96 ASP CA C 13 50.499 0.05 A 96 ASP CB C 13 41.916 0.05 A 96 ASP N N 15 112.625 0.05 A 97 THR H H 1 7.383 0.02 A 97 THR HA H 1 3.605 0.02 A 97 THR HB H 1 4.121 0.02 A 97 THR HG2% H 1 1.306 0.02 A 97 THR CA C 13 63.722 0.05 A 97 THR CB C 13 67.601 0.05 A 97 THR CG2 C 13 20.189 0.05 A 97 THR N N 15 110.437 0.05 A 98 GLU H H 1 8.194 0.02 A 98 GLU HA H 1 4.100 0.02 A 98 GLU HBy H 1 2.122 0.02 A 98 GLU HBx H 1 2.016 0.02 A 98 GLU HGx H 1 1.921 0.02 A 98 GLU HGy H 1 2.219 0.02 A 98 GLU CA C 13 56.481 0.05 A 98 GLU CB C 13 25.735 0.05 A 98 GLU CG C 13 36.812 0.05 A 98 GLU N N 15 119.187 0.05 A 99 GLY H H 1 7.965 0.02 A 99 GLY HAx H 1 3.852 0.02 A 99 GLY HAy H 1 4.236 0.02 A 99 GLY CA C 13 44.520 0.05 A 99 GLY N N 15 106.062 0.05 A 100 ALA H H 1 7.516 0.02 A 100 ALA HA H 1 4.465 0.02 A 100 ALA HB% H 1 1.399 0.02 A 100 ALA CA C 13 52.044 0.05 A 100 ALA CB C 13 17.066 0.05 A 100 ALA N N 15 122.625 0.05 A 101 LYS H H 1 8.179 0.02 A 101 LYS HA H 1 3.871 0.02 A 101 LYS HBy H 1 1.989 0.02 A 101 LYS HBx H 1 1.880 0.02 A 101 LYS HDx H 1 1.763 0.02 A 101 LYS HEx H 1 2.999 0.02 A 101 LYS HGx H 1 1.772 0.02 A 101 LYS CA C 13 57.209 0.05 A 101 LYS CB C 13 29.864 0.05 A 101 LYS CD C 13 26.925 0.05 A 101 LYS CE C 13 39.072 0.05 A 101 LYS CG C 13 21.884 0.05 A 101 LYS N N 15 117.312 0.05 A 102 GLN H H 1 7.810 0.02 A 102 GLN HA H 1 4.048 0.02 A 102 GLN HBy H 1 2.207 0.02 A 102 GLN HBx H 1 2.153 0.02 A 102 GLN HGy H 1 2.578 0.02 A 102 GLN HGx H 1 2.406 0.02 A 102 GLN CA C 13 56.416 0.05 A 102 GLN CB C 13 25.800 0.05 A 102 GLN CG C 13 31.364 0.05 A 102 GLN N N 15 117.000 0.05 A 103 ILE H H 1 7.575 0.02 A 103 ILE HA H 1 3.733 0.02 A 103 ILE HB H 1 1.992 0.02 A 103 ILE HD1% H 1 0.896 0.02 A 103 ILE HG1y H 1 1.752 0.02 A 103 ILE HG1x H 1 1.287 0.02 A 103 ILE HG2% H 1 1.097 0.02 A 103 ILE CA C 13 61.881 0.05 A 103 ILE CB C 13 35.153 0.05 A 103 ILE CD1 C 13 10.809 0.05 A 103 ILE CG1 C 13 26.389 0.05 A 103 ILE CG2 C 13 16.172 0.05 A 103 ILE N N 15 119.812 0.05 A 104 VAL H H 1 7.943 0.02 A 104 VAL HA H 1 2.722 0.02 A 104 VAL HB H 1 1.760 0.02 A 104 VAL HG1% H 1 0.509 0.02 A 104 VAL HG2% H 1 0.509 0.02 A 104 VAL CA C 13 64.265 0.05 A 104 VAL CB C 13 28.906 0.05 A 104 VAL CGx C 13 18.915 0.05 A 104 VAL CGy C 13 21.420 0.05 A 104 VAL N N 15 120.437 0.05 A 105 ARG H H 1 8.135 0.02 A 105 ARG HA H 1 3.858 0.02 A 105 ARG HBy H 1 2.001 0.02 A 105 ARG HBx H 1 1.869 0.02 A 105 ARG HDx H 1 3.223 0.02 A 105 ARG HGx H 1 1.766 0.02 A 105 ARG CA C 13 56.618 0.05 A 105 ARG CB C 13 26.359 0.05 A 105 ARG CD C 13 40.132 0.05 A 105 ARG CG C 13 24.409 0.05 A 105 ARG N N 15 117.937 0.05 A 106 ARG H H 1 7.383 0.02 A 106 ARG HA H 1 4.017 0.02 A 106 ARG HBy H 1 1.845 0.02 A 106 ARG HBx H 1 1.758 0.02 A 106 ARG HGy H 1 1.768 0.02 A 106 ARG HGx H 1 1.650 0.02 A 106 ARG CA C 13 56.011 0.05 A 106 ARG CB C 13 27.462 0.05 A 106 ARG CG C 13 24.954 0.05 A 106 ARG N N 15 116.375 0.05 A 107 HIS H H 1 7.707 0.02 A 107 HIS HA H 1 4.370 0.02 A 107 HIS HBx H 1 2.820 0.02 A 107 HIS HBy H 1 3.181 0.02 A 107 HIS HD2 H 1 7.026 0.02 A 107 HIS CA C 13 55.559 0.05 A 107 HIS CB C 13 27.654 0.05 A 107 HIS CD2 C 13 118.186 0.05 A 107 HIS N N 15 116.687 0.05 A 108 LEU H H 1 8.032 0.02 A 108 LEU HA H 1 4.123 0.02 A 108 LEU HBy H 1 1.610 0.02 A 108 LEU HBx H 1 1.440 0.02 A 108 LEU HD1% H 1 0.750 0.02 A 108 LEU HD2% H 1 0.654 0.02 A 108 LEU HG H 1 1.571 0.02 A 108 LEU CA C 13 53.738 0.05 A 108 LEU CB C 13 38.858 0.05 A 108 LEU CDy C 13 22.759 0.05 A 108 LEU CDx C 13 19.557 0.05 A 108 LEU CG C 13 24.008 0.05 A 108 LEU N N 15 119.500 0.05 A 109 VAL H H 1 7.663 0.02 A 109 VAL HA H 1 3.950 0.02 A 109 VAL HB H 1 2.024 0.02 A 109 VAL HG1% H 1 0.854 0.02 A 109 VAL HG2% H 1 0.864 0.02 A 109 VAL CA C 13 60.698 0.05 A 109 VAL CB C 13 29.742 0.05 A 109 VAL CGx C 13 18.309 0.05 A 109 VAL CGy C 13 18.328 0.05 A 109 VAL N N 15 117.625 0.05 A 110 ALA H H 1 7.869 0.02 A 110 ALA HA H 1 4.250 0.02 A 110 ALA HB% H 1 1.407 0.02 A 110 ALA CA C 13 50.192 0.05 A 110 ALA CB C 13 16.377 0.05 A 110 ALA N N 15 124.812 0.05 A 111 GLU H H 1 8.149 0.02 A 111 GLU HA H 1 4.343 0.02 A 111 GLU HBy H 1 2.004 0.02 A 111 GLU HBx H 1 1.889 0.02 A 111 GLU HGx H 1 2.211 0.02 A 111 GLU CA C 13 54.389 0.05 A 111 GLU CB C 13 27.634 0.05 A 111 GLU CG C 13 33.697 0.05 A 111 GLU N N 15 118.875 0.05 A 112 THR H H 1 8.017 0.02 A 112 THR HA H 1 4.335 0.02 A 112 THR HB H 1 4.245 0.02 A 112 THR HG2% H 1 1.215 0.02 A 112 THR CA C 13 59.555 0.05 A 112 THR CB C 13 67.193 0.05 A 112 THR CG2 C 13 18.989 0.05 A 112 THR N N 15 113.562 0.05 A 113 GLY H H 1 8.356 0.02 A 113 GLY HAy H 1 4.025 0.02 A 113 GLY HAx H 1 4.003 0.02 A 113 GLY CA C 13 43.057 0.05 A 113 GLY N N 15 110.750 0.05 A 114 THR H H 1 7.943 0.02 A 114 THR HA H 1 4.259 0.02 A 114 THR HB H 1 4.262 0.02 A 114 THR HG2% H 1 1.210 0.02 A 114 THR CA C 13 59.178 0.05 A 114 THR CB C 13 67.083 0.05 A 114 THR CG2 C 13 18.905 0.05 A 114 THR N N 15 113.250 0.05 A 115 ALA H H 1 8.194 0.02 A 115 ALA HA H 1 4.596 0.02 A 115 ALA HB% H 1 1.284 0.02 A 115 ALA CA C 13 47.746 0.05 A 115 ALA CB C 13 15.769 0.05 A 115 ALA N N 15 127.312 0.05 A 116 GLU H H 1 8.259 0.02 A 116 GLU HA H 1 4.258 0.02 A 116 GLU N N 15 119.908 0.05 A 117 LYS H H 1 8.278 0.02 A 117 LYS HA H 1 4.196 0.02 A 117 LYS HBx H 1 1.930 0.02 A 117 LYS CA C 13 54.038 0.05 A 117 LYS CB C 13 27.641 0.05 A 117 LYS N N 15 119.682 0.05 A 118 MET H H 1 8.179 0.02 A 118 MET HA H 1 4.224 0.02 A 118 MET HBy H 1 1.742 0.02 A 118 MET HBx H 1 1.596 0.02 A 118 MET CA C 13 53.866 0.05 A 118 MET CB C 13 30.451 0.05 A 118 MET N N 15 122.000 0.05 A 120 SER H H 1 8.376 0.02 A 120 SER N N 15 115.611 0.05 A 121 THR H H 1 8.090 0.02 A 121 THR N N 15 114.799 0.05 A 122 SER H H 1 8.214 0.02 A 122 SER N N 15 117.793 0.05 A 123 ARG H H 1 8.222 0.02 A 123 ARG N N 15 123.498 0.05 A 125 THR H H 1 8.149 0.02 A 125 THR HG2% H 1 1.179 0.02 A 125 THR CG2 C 13 19.021 0.05 A 125 THR N N 15 114.500 0.05 A 126 ALA H H 1 8.238 0.02 A 126 ALA HA H 1 4.322 0.02 A 126 ALA HB% H 1 1.410 0.02 A 126 ALA CA C 13 50.224 0.05 A 126 ALA CB C 13 16.466 0.05 A 126 ALA N N 15 126.062 0.05 A 128 SER H H 1 8.463 0.02 A 128 SER N N 15 116.006 0.05 A 129 SER H H 1 8.311 0.02 A 129 SER N N 15 117.325 0.05 A 130 GLU H H 1 8.346 0.02 A 130 GLU N N 15 122.475 0.05 A 131 LYS H H 1 8.270 0.02 A 131 LYS N N 15 121.693 0.05 A 132 GLY H H 1 8.297 0.02 A 132 GLY HAy H 1 3.946 0.02 A 132 GLY HAx H 1 3.899 0.02 A 132 GLY CA C 13 42.769 0.05 A 132 GLY N N 15 109.500 0.05 A 133 GLY H H 1 8.195 0.02 A 133 GLY N N 15 108.095 0.05 A 135 TYR H H 1 8.000 0.02 A 135 TYR N N 15 120.152 0.05 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 10 GLY H A 11 LYS H 1.0 . 2.9 2 2 A 11 LYS H A 12 LYS H 1.0 . 2.9 3 3 A 12 LYS H A 13 ALA H 1.0 . 2.9 4 4 A 13 ALA H A 14 ASP H 1.0 . 2.9 5 5 A 14 ASP H A 15 GLU H 1.0 . 2.9 6 6 A 15 GLU H A 16 LEU H 1.0 . 2.9 7 7 A 16 LEU H A 17 GLU H 1.0 . 2.9 8 8 A 17 GLU H A 18 ARG H 1.0 . 2.9 9 9 A 18 ARG H A 19 ILE H 1.0 . 2.9 10 10 A 10 GLY H A 12 LYS H 1.0 . 5.0 11 11 A 11 LYS H A 13 ALA H 1.0 . 5.0 12 12 A 12 LYS H A 14 ASP H 1.0 . 5.0 13 13 A 13 ALA H A 15 GLU H 1.0 . 5.0 14 14 A 14 ASP H A 16 LEU H 1.0 . 5.0 15 15 A 15 GLU H A 17 GLU H 1.0 . 5.0 16 16 A 17 GLU H A 19 ILE H 1.0 . 5.0 17 17 A 12 LYS H A 9 ARG H 1.0 . 5.0 18 18 A 13 ALA H A 16 LEU H 1.0 . 5.0 19 19 A 14 ASP H A 17 GLU H 1.0 . 5.0 20 20 A 16 LEU H A 19 ILE H 1.0 . 5.0 21 21 A 10 GLY H A 9 ARG HA 1.0 . 2.7 22 22 A 15 GLU H A 13 ALA HA 1.0 . 5.0 23 23 A 16 LEU H A 14 ASP HA 1.0 . 5.0 24 24 A 17 GLU H A 15 GLU HA 1.0 . 5.0 25 25 A 18 ARG H A 16 LEU HA 1.0 . 5.0 26 26 A 19 ILE H A 17 GLU HA 1.0 . 5.0 27 27 A 13 ALA H A 10 GLY HAx 1.0 . 5.0 28 28 A 14 ASP H A 11 LYS HA 1.0 . 5.0 29 29 A 15 GLU H A 12 LYS HA 1.0 . 5.0 30 30 A 16 LEU H A 13 ALA HA 1.0 . 5.0 31 31 A 17 GLU H A 14 ASP HA 1.0 . 5.0 32 32 A 18 ARG H A 15 GLU HA 1.0 . 5.0 33 33 A 19 ILE H A 16 LEU HA 1.0 . 5.0 34 34 A 13 ALA H A 9 ARG HA 1.0 . 5.0 35 35 A 14 ASP H A 10 GLY HAx 1.0 . 5.0 36 36 A 16 LEU H A 12 LYS HA 1.0 . 5.0 37 37 A 10 GLY HAx A 13 ALA HB% 1.0 . 3.3 38 38 A 11 LYS HA A 14 ASP HBy 1.0 . 3.3 39 38 A 11 LYS HA A 14 ASP HBx 1.0 . 3.3 40 39 A 12 LYS HA A 15 GLU HBy 1.0 . 3.3 41 39 A 12 LYS HA A 15 GLU HBx 1.0 . 3.3 42 40 A 13 ALA HA A 16 LEU HBx 1.0 . 3.3 43 41 A 13 ALA HA A 16 LEU HBy 1.0 . 3.3 44 42 A 14 ASP HA A 17 GLU HBy 1.0 . 3.3 45 42 A 14 ASP HA A 17 GLU HBx 1.0 . 3.3 46 43 A 19 ILE HA A 20 ARG H 1.0 . 2.7 47 44 A 20 ARG HA A 21 LEU H 1.0 . 2.7 48 45 A 21 LEU H A 22 ARG H 1.0 . 2.7 49 46 A 24 GLY H A 25 GLY H 1.0 . 3.3 50 47 A 25 GLY HAy A 26 LYS H 1.0 . 2.7 51 48 A 26 LYS H A 25 GLY HAx 1.0 . 2.7 52 49 A 26 LYS H A 27 LYS H 1.0 . 2.7 53 50 A 27 LYS HA A 28 LYS H 1.0 . 2.7 54 51 A 28 LYS HA A 29 TYR H 1.0 . 2.7 55 52 A 29 TYR HA A 30 ARG H 1.0 . 2.7 56 53 A 17 GLU HA A 30 ARG HA 1.0 . 5.0 57 54 A 20 ARG HA A 28 LYS HA 1.0 . 2.7 58 55 A 28 LYS HA A 20 ARG HBy 1.0 . 5.0 59 55 A 28 LYS HA A 20 ARG HBx 1.0 . 5.0 60 56 A 17 GLU HA A 29 TYR H 1.0 . 5.0 61 57 A 20 ARG HA A 29 TYR H 1.0 . 5.0 62 58 A 21 LEU H A 28 LYS HA 1.0 . 3.3 63 59 A 22 ARG H A 25 GLY HAx 1.0 . 5.0 64 60 A 25 GLY H A 23 PRO HA 1.0 . 5.0 65 61 A 19 ILE H A 29 TYR H 1.0 . 5.0 66 62 A 20 ARG H A 97 THR H 1.0 . 5.0 67 63 A 21 LEU H A 27 LYS H 1.0 . 5.0 68 64 A 22 ARG H A 25 GLY H 1.0 . 5.0 69 65 A 30 ARG H A 31 LEU H 1.0 . 5.0 70 66 A 31 LEU H A 32 LYS H 1.0 . 2.9 71 67 A 32 LYS H A 33 HIS H 1.0 . 2.9 72 68 A 33 HIS H A 34 ILE H 1.0 . 2.9 73 69 A 34 ILE H A 35 VAL H 1.0 . 2.9 74 70 A 35 VAL H A 36 TRP H 1.0 . 2.9 75 71 A 36 TRP H A 37 ALA H 1.0 . 2.9 76 72 A 37 ALA H A 38 ALA H 1.0 . 2.9 77 73 A 38 ALA H A 39 ASN H 1.0 . 2.9 78 74 A 39 ASN H A 40 LYS H 1.0 . 2.9 79 75 A 40 LYS H A 41 LEU H 1.0 . 2.9 80 76 A 41 LEU H A 42 ASP H 1.0 . 2.9 81 77 A 42 ASP H A 43 ARG H 1.0 . 2.9 82 78 A 43 ARG H A 44 PHE H 1.0 . 2.9 83 79 A 44 PHE H A 45 GLY H 1.0 . 2.9 84 80 A 45 GLY H A 46 LEU H 1.0 . 2.9 85 81 A 31 LEU H A 33 HIS H 1.0 . 5.0 86 82 A 32 LYS H A 34 ILE H 1.0 . 5.0 87 83 A 33 HIS H A 35 VAL H 1.0 . 5.0 88 84 A 34 ILE H A 36 TRP H 1.0 . 5.0 89 85 A 35 VAL H A 37 ALA H 1.0 . 5.0 90 86 A 36 TRP H A 38 ALA H 1.0 . 5.0 91 87 A 37 ALA H A 39 ASN H 1.0 . 5.0 92 88 A 38 ALA H A 40 LYS H 1.0 . 5.0 93 89 A 39 ASN H A 41 LEU H 1.0 . 5.0 94 90 A 40 LYS H A 42 ASP H 1.0 . 5.0 95 91 A 41 LEU H A 43 ARG H 1.0 . 5.0 96 92 A 42 ASP H A 44 PHE H 1.0 . 5.0 97 93 A 43 ARG H A 45 GLY H 1.0 . 5.0 98 94 A 44 PHE H A 46 LEU H 1.0 . 5.0 99 95 A 30 ARG H A 33 HIS H 1.0 . 5.0 100 96 A 31 LEU H A 34 ILE H 1.0 . 5.0 101 97 A 32 LYS H A 35 VAL H 1.0 . 5.0 102 98 A 35 VAL H A 38 ALA H 1.0 . 5.0 103 99 A 36 TRP H A 39 ASN H 1.0 . 5.0 104 100 A 37 ALA H A 40 LYS H 1.0 . 5.0 105 101 A 38 ALA H A 41 LEU H 1.0 . 5.0 106 102 A 40 LYS H A 43 ARG H 1.0 . 5.0 107 103 A 30 ARG HA A 31 LEU H 1.0 . 2.7 108 104 A 40 LYS H A 38 ALA HA 1.0 . 5.0 109 105 A 41 LEU H A 39 ASN HA 1.0 . 5.0 110 106 A 45 GLY H A 43 ARG HA 1.0 . 5.0 111 107 A 34 ILE H A 31 LEU HA 1.0 . 5.0 112 108 A 35 VAL H A 32 LYS HA 1.0 . 5.0 113 109 A 36 TRP H A 33 HIS HA 1.0 . 5.0 114 110 A 37 ALA H A 34 ILE HA 1.0 . 5.0 115 111 A 38 ALA H A 35 VAL HA 1.0 . 5.0 116 112 A 39 ASN H A 36 TRP HA 1.0 . 5.0 117 113 A 40 LYS H A 37 ALA HA 1.0 . 5.0 118 114 A 41 LEU H A 38 ALA HA 1.0 . 5.0 119 115 A 42 ASP H A 39 ASN HA 1.0 . 5.0 120 116 A 43 ARG H A 40 LYS HA 1.0 . 5.0 121 117 A 44 PHE H A 41 LEU HA 1.0 . 5.0 122 118 A 45 GLY H A 42 ASP HA 1.0 . 5.0 123 119 A 36 TRP H A 32 LYS HA 1.0 . 5.0 124 120 A 37 ALA H A 33 HIS HA 1.0 . 5.0 125 121 A 31 LEU HA A 34 ILE HB 1.0 . 3.3 126 122 A 32 LYS HA A 35 VAL HB 1.0 . 3.3 127 123 A 33 HIS HA A 36 TRP HBy 1.0 . 3.3 128 123 A 33 HIS HA A 36 TRP HBx 1.0 . 3.3 129 124 A 34 ILE HA A 37 ALA HB% 1.0 . 3.3 130 125 A 35 VAL HA A 38 ALA HB% 1.0 . 3.3 131 126 A 36 TRP HA A 39 ASN HBy 1.0 . 3.3 132 126 A 36 TRP HA A 39 ASN HBx 1.0 . 3.3 133 127 A 37 ALA HA A 40 LYS HBx 1.0 . 3.3 134 127 A 37 ALA HA A 40 LYS HBy 1.0 . 3.3 135 128 A 38 ALA HA A 41 LEU HBy 1.0 . 5.0 136 128 A 38 ALA HA A 41 LEU HBx 1.0 . 5.0 137 129 A 39 ASN HA A 42 ASP HBy 1.0 . 3.3 138 129 A 39 ASN HA A 42 ASP HBx 1.0 . 3.3 139 130 A 40 LYS HA A 43 ARG HBx 1.0 . 3.3 140 130 A 40 LYS HA A 43 ARG HBy 1.0 . 3.3 141 131 A 41 LEU HA A 44 PHE HBx 1.0 . 5.0 142 132 A 46 LEU H A 42 ASP HA 1.0 . 5.0 143 133 A 46 LEU HA A 47 ALA H 1.0 . 2.7 144 134 A 47 ALA H A 48 GLU H 1.0 . 5.0 145 135 A 48 GLU H A 47 ALA HA 1.0 . 2.7 146 136 A 48 GLU H A 49 SER H 1.0 . 2.7 147 137 A 49 SER H A 50 LEU H 1.0 . 2.7 148 138 A 50 LEU H A 51 LEU H 1.0 . 2.7 149 139 A 51 LEU H A 52 GLU H 1.0 . 2.7 150 140 A 52 GLU H A 53 SER H 1.0 . 2.7 151 141 A 49 SER H A 51 LEU H 1.0 . 5.0 152 142 A 50 LEU H A 52 GLU H 1.0 . 5.0 153 143 A 51 LEU H A 53 SER H 1.0 . 5.0 154 144 A 53 SER H A 52 GLU HA 1.0 . 5.0 155 145 A 50 LEU H A 48 GLU HA 1.0 . 5.0 156 146 A 53 SER H A 50 LEU HA 1.0 . 5.0 157 147 A 54 LYS H A 55 GLU H 1.0 . 2.9 158 148 A 55 GLU H A 56 GLY H 1.0 . 2.9 159 149 A 56 GLY H A 57 CYS H 1.0 . 2.9 160 150 A 57 CYS H A 58 GLN H 1.0 . 2.9 161 151 A 58 GLN H A 59 LYS H 1.0 . 2.9 162 152 A 59 LYS H A 60 ILE H 1.0 . 2.9 163 153 A 60 ILE H A 61 LEU H 1.0 . 2.9 164 154 A 61 LEU H A 62 THR H 1.0 . 2.9 165 155 A 62 THR H A 63 VAL H 1.0 . 2.9 166 156 A 63 VAL H A 64 LEU H 1.0 . 2.9 167 157 A 64 LEU H A 65 ASP H 1.0 . 2.9 168 158 A 54 LYS H A 56 GLY H 1.0 . 5.0 169 159 A 55 GLU H A 57 CYS H 1.0 . 5.0 170 160 A 56 GLY H A 58 GLN H 1.0 . 5.0 171 161 A 57 CYS H A 59 LYS H 1.0 . 5.0 172 162 A 58 GLN H A 60 ILE H 1.0 . 5.0 173 163 A 59 LYS H A 61 LEU H 1.0 . 5.0 174 164 A 60 ILE H A 62 THR H 1.0 . 5.0 175 165 A 61 LEU H A 63 VAL H 1.0 . 5.0 176 166 A 62 THR H A 64 LEU H 1.0 . 5.0 177 167 A 63 VAL H A 65 ASP H 1.0 . 5.0 178 168 A 53 SER H A 56 GLY H 1.0 . 5.0 179 169 A 53 SER H A 57 CYS H 1.0 . 5.0 180 170 A 54 LYS H A 53 SER HA 1.0 . 2.7 181 171 A 56 GLY H A 53 SER HA 1.0 . 5.0 182 172 A 57 CYS H A 54 LYS HA 1.0 . 5.0 183 173 A 58 GLN H A 55 GLU HA 1.0 . 5.0 184 174 A 59 LYS H A 56 GLY HAy 1.0 . 5.0 185 175 A 60 ILE H A 57 CYS HA 1.0 . 5.0 186 176 A 61 LEU H A 58 GLN HA 1.0 . 5.0 187 177 A 62 THR H A 59 LYS HA 1.0 . 5.0 188 178 A 63 VAL H A 60 ILE HA 1.0 . 5.0 189 179 A 64 LEU H A 61 LEU HA 1.0 . 5.0 190 180 A 65 ASP H A 62 THR HA 1.0 . 5.0 191 181 A 62 THR H A 58 GLN HA 1.0 . 5.0 192 182 A 63 VAL H A 59 LYS HA 1.0 . 5.0 193 183 A 55 GLU HA A 58 GLN HBx 1.0 . 3.3 194 183 A 55 GLU HA A 58 GLN HBy 1.0 . 3.3 195 184 A 56 GLY HAy A 59 LYS HBy 1.0 . 3.3 196 184 A 56 GLY HAy A 59 LYS HBx 1.0 . 3.3 197 185 A 57 CYS HA A 60 ILE HB 1.0 . 5.0 198 186 A 58 GLN HA A 61 LEU HBx 1.0 . 5.0 199 187 A 60 ILE HA A 63 VAL HB 1.0 . 3.3 200 188 A 61 LEU HA A 64 LEU HBx 1.0 . 5.0 201 189 A 62 THR HA A 65 ASP HBy 1.0 . 5.0 202 190 A 67 MET H A 68 VAL H 1.0 . 2.9 203 191 A 70 THR H A 71 GLY H 1.0 . 2.9 204 192 A 68 VAL H A 70 THR H 1.0 . 5.0 205 193 A 71 GLY HAy A 72 SER H 1.0 . 2.7 206 194 A 72 SER H A 71 GLY HAx 1.0 . 3.3 207 195 A 67 MET H A 65 ASP HA 1.0 . 5.0 208 196 A 68 VAL H A 66 PRO HA 1.0 . 5.0 209 197 A 70 THR H A 68 VAL HA 1.0 . 5.0 210 198 A 67 MET H A 64 LEU HA 1.0 . 5.0 211 199 A 68 VAL H A 65 ASP HA 1.0 . 5.0 212 200 A 70 THR H A 67 MET HA 1.0 . 5.0 213 201 A 71 GLY H A 68 VAL HA 1.0 . 5.0 214 202 A 71 GLY H A 67 MET HA 1.0 . 5.0 215 203 A 73 GLU H A 74 ASN H 1.0 . 2.9 216 204 A 74 ASN H A 75 LEU H 1.0 . 2.9 217 205 A 75 LEU H A 76 LYS H 1.0 . 2.9 218 206 A 76 LYS H A 77 SER H 1.0 . 2.9 219 207 A 77 SER H A 78 LEU H 1.0 . 2.9 220 208 A 78 LEU H A 79 PHE H 1.0 . 2.9 221 209 A 79 PHE H A 80 ASN H 1.0 . 2.9 222 210 A 80 ASN H A 81 THR H 1.0 . 2.9 223 211 A 81 THR H A 82 VAL H 1.0 . 2.9 224 212 A 82 VAL H A 83 CYS H 1.0 . 2.9 225 213 A 83 CYS H A 84 VAL H 1.0 . 2.9 226 214 A 84 VAL H A 85 ILE H 1.0 . 2.9 227 215 A 85 ILE H A 86 TRP H 1.0 . 2.9 228 216 A 86 TRP H A 87 CYS H 1.0 . 2.9 229 217 A 87 CYS H A 88 ILE H 1.0 . 2.9 230 218 A 88 ILE H A 89 HIS H 1.0 . 2.9 231 219 A 89 HIS H A 90 ALA H 1.0 . 2.9 232 220 A 90 ALA H A 91 GLU H 1.0 . 2.9 233 221 A 75 LEU H A 77 SER H 1.0 . 5.0 234 222 A 76 LYS H A 78 LEU H 1.0 . 5.0 235 223 A 77 SER H A 79 PHE H 1.0 . 5.0 236 224 A 78 LEU H A 80 ASN H 1.0 . 5.0 237 225 A 79 PHE H A 81 THR H 1.0 . 5.0 238 226 A 80 ASN H A 82 VAL H 1.0 . 5.0 239 227 A 81 THR H A 83 CYS H 1.0 . 5.0 240 228 A 82 VAL H A 84 VAL H 1.0 . 5.0 241 229 A 83 CYS H A 85 ILE H 1.0 . 5.0 242 230 A 84 VAL H A 86 TRP H 1.0 . 5.0 243 231 A 85 ILE H A 87 CYS H 1.0 . 5.0 244 232 A 86 TRP H A 88 ILE H 1.0 . 5.0 245 233 A 87 CYS H A 89 HIS H 1.0 . 5.0 246 234 A 88 ILE H A 90 ALA H 1.0 . 5.0 247 235 A 89 HIS H A 91 GLU H 1.0 . 5.0 248 236 A 90 ALA H A 92 GLU H 1.0 . 5.0 249 237 A 72 SER H A 75 LEU H 1.0 . 5.0 250 238 A 73 GLU H A 76 LYS H 1.0 . 5.0 251 239 A 75 LEU H A 78 LEU H 1.0 . 5.0 252 240 A 76 LYS H A 79 PHE H 1.0 . 5.0 253 241 A 77 SER H A 80 ASN H 1.0 . 5.0 254 242 A 73 GLU H A 72 SER HA 1.0 . 2.7 255 243 A 74 ASN H A 72 SER HBx 1.0 . 5.0 256 244 A 76 LYS H A 73 GLU HA 1.0 . 5.0 257 245 A 77 SER H A 74 ASN HA 1.0 . 5.0 258 246 A 78 LEU H A 75 LEU HA 1.0 . 5.0 259 247 A 79 PHE H A 76 LYS HA 1.0 . 5.0 260 248 A 80 ASN H A 77 SER HA 1.0 . 5.0 261 249 A 81 THR H A 78 LEU HA 1.0 . 5.0 262 250 A 82 VAL H A 79 PHE HA 1.0 . 5.0 263 251 A 83 CYS H A 80 ASN HA 1.0 . 5.0 264 252 A 84 VAL H A 81 THR HA 1.0 . 5.0 265 253 A 85 ILE H A 82 VAL HA 1.0 . 5.0 266 254 A 86 TRP H A 83 CYS HA 1.0 . 5.0 267 255 A 87 CYS H A 84 VAL HA 1.0 . 5.0 268 256 A 88 ILE H A 85 ILE HA 1.0 . 5.0 269 257 A 89 HIS H A 86 TRP HA 1.0 . 5.0 270 258 A 90 ALA H A 87 CYS HA 1.0 . 5.0 271 259 A 91 GLU H A 88 ILE HA 1.0 . 5.0 272 260 A 79 PHE H A 75 LEU HA 1.0 . 5.0 273 261 A 80 ASN H A 76 LYS HA 1.0 . 5.0 274 262 A 84 VAL H A 80 ASN HA 1.0 . 5.0 275 263 A 85 ILE H A 81 THR HA 1.0 . 5.0 276 264 A 86 TRP H A 82 VAL HA 1.0 . 5.0 277 265 A 89 HIS H A 85 ILE HA 1.0 . 5.0 278 266 A 90 ALA H A 86 TRP HA 1.0 . 5.0 279 267 A 73 GLU HA A 76 LYS HBx 1.0 . 3.3 280 267 A 73 GLU HA A 76 LYS HBy 1.0 . 3.3 281 268 A 74 ASN HA A 77 SER HBy 1.0 . 3.3 282 268 A 74 ASN HA A 77 SER HBx 1.0 . 3.3 283 269 A 75 LEU HA A 78 LEU HBy 1.0 . 3.3 284 269 A 75 LEU HA A 78 LEU HBx 1.0 . 3.3 285 270 A 76 LYS HA A 79 PHE HBx 1.0 . 3.3 286 270 A 76 LYS HA A 79 PHE HBy 1.0 . 3.3 287 271 A 77 SER HA A 80 ASN HBy 1.0 . 3.3 288 271 A 77 SER HA A 80 ASN HBx 1.0 . 3.3 289 272 A 78 LEU HA A 81 THR HB 1.0 . 3.3 290 273 A 79 PHE HA A 82 VAL HB 1.0 . 3.3 291 274 A 80 ASN HA A 83 CYS HBy 1.0 . 3.3 292 274 A 80 ASN HA A 83 CYS HBx 1.0 . 3.3 293 275 A 81 THR HA A 84 VAL HB 1.0 . 3.3 294 276 A 82 VAL HA A 85 ILE HB 1.0 . 3.3 295 277 A 83 CYS HA A 86 TRP HBy 1.0 . 3.3 296 277 A 83 CYS HA A 86 TRP HBx 1.0 . 3.3 297 278 A 84 VAL HA A 87 CYS HBy 1.0 . 3.3 298 278 A 84 VAL HA A 87 CYS HBx 1.0 . 3.3 299 279 A 85 ILE HA A 88 ILE HB 1.0 . 3.3 300 280 A 86 TRP HA A 89 HIS HBx 1.0 . 3.3 301 280 A 86 TRP HA A 89 HIS HBy 1.0 . 3.3 302 281 A 87 CYS HA A 90 ALA HB% 1.0 . 3.3 303 282 A 91 GLU H A 92 GLU H 1.0 . 2.7 304 283 A 92 GLU HA A 93 LYS H 1.0 . 2.7 305 284 A 93 LYS HA A 94 VAL H 1.0 . 2.7 306 285 A 94 VAL HA A 95 LYS H 1.0 . 2.7 307 286 A 95 LYS H A 96 ASP H 1.0 . 2.7 308 287 A 19 ILE HA A 95 LYS HA 1.0 . 5.0 309 288 A 95 LYS H A 96 ASP H 1.0 . 2.9 310 289 A 94 VAL HA A 95 LYS H 1.0 . 2.7 311 290 A 94 VAL HA A 96 ASP H 1.0 . 5.0 312 291 A 97 THR H A 96 ASP HA 1.0 . 2.7 313 292 A 20 ARG H A 96 ASP HA 1.0 . 2.7 314 293 A 97 THR H A 21 LEU HA 1.0 . 5.0 315 294 A 97 THR H A 23 PRO HDy 1.0 . 5.0 316 295 A 20 ARG H A 97 THR H 1.0 . 5.0 317 296 A 20 ARG H A 96 ASP H 1.0 . 5.0 318 297 A 97 THR H A 98 GLU H 1.0 . 2.9 319 298 A 98 GLU H A 99 GLY H 1.0 . 2.9 320 299 A 99 GLY H A 100 ALA H 1.0 . 2.9 321 300 A 100 ALA H A 101 LYS H 1.0 . 2.9 322 301 A 101 LYS H A 102 GLN H 1.0 . 2.9 323 302 A 102 GLN H A 103 ILE H 1.0 . 2.9 324 303 A 103 ILE H A 104 VAL H 1.0 . 2.9 325 304 A 104 VAL H A 105 ARG H 1.0 . 2.9 326 305 A 105 ARG H A 106 ARG H 1.0 . 2.9 327 306 A 106 ARG H A 107 HIS H 1.0 . 2.9 328 307 A 107 HIS H A 108 LEU H 1.0 . 2.9 329 308 A 108 LEU H A 109 VAL H 1.0 . 2.9 330 309 A 109 VAL H A 110 ALA H 1.0 . 2.9 331 310 A 110 ALA H A 111 GLU H 1.0 . 2.9 332 311 A 111 GLU H A 112 THR H 1.0 . 2.9 333 312 A 112 THR H A 113 GLY H 1.0 . 2.9 334 313 A 113 GLY H A 114 THR H 1.0 . 2.9 335 314 A 114 THR H A 115 ALA H 1.0 . 2.9 336 315 A 115 ALA H A 116 GLU H 1.0 . 2.9 337 316 A 116 GLU H A 117 LYS H 1.0 . 2.9 338 317 A 117 LYS H A 118 MET H 1.0 . 2.9 339 318 A 97 THR H A 99 GLY H 1.0 . 5.0 340 319 A 98 GLU H A 100 ALA H 1.0 . 5.0 341 320 A 99 GLY H A 101 LYS H 1.0 . 5.0 342 321 A 100 ALA H A 102 GLN H 1.0 . 5.0 343 322 A 101 LYS H A 103 ILE H 1.0 . 5.0 344 323 A 102 GLN H A 104 VAL H 1.0 . 5.0 345 324 A 103 ILE H A 105 ARG H 1.0 . 5.0 346 325 A 104 VAL H A 106 ARG H 1.0 . 5.0 347 326 A 105 ARG H A 107 HIS H 1.0 . 5.0 348 327 A 106 ARG H A 108 LEU H 1.0 . 5.0 349 328 A 107 HIS H A 109 VAL H 1.0 . 5.0 350 329 A 108 LEU H A 110 ALA H 1.0 . 5.0 351 330 A 109 VAL H A 111 GLU H 1.0 . 5.0 352 331 A 110 ALA H A 112 THR H 1.0 . 5.0 353 332 A 111 GLU H A 113 GLY H 1.0 . 5.0 354 333 A 112 THR H A 114 THR H 1.0 . 5.0 355 334 A 113 GLY H A 115 ALA H 1.0 . 5.0 356 335 A 114 THR H A 116 GLU H 1.0 . 5.0 357 336 A 115 ALA H A 117 LYS H 1.0 . 5.0 358 337 A 116 GLU H A 118 MET H 1.0 . 5.0 359 338 A 96 ASP H A 99 GLY H 1.0 . 5.0 360 339 A 97 THR H A 99 GLY H 1.0 . 5.0 361 340 A 98 GLU H A 101 LYS H 1.0 . 5.0 362 341 A 99 GLY H A 102 GLN H 1.0 . 5.0 363 342 A 100 ALA H A 103 ILE H 1.0 . 5.0 364 343 A 101 LYS H A 104 VAL H 1.0 . 5.0 365 344 A 102 GLN H A 105 ARG H 1.0 . 5.0 366 345 A 103 ILE H A 106 ARG H 1.0 . 5.0 367 346 A 104 VAL H A 107 HIS H 1.0 . 5.0 368 347 A 105 ARG H A 108 LEU H 1.0 . 5.0 369 348 A 106 ARG H A 109 VAL H 1.0 . 5.0 370 349 A 107 HIS H A 110 ALA H 1.0 . 5.0 371 350 A 108 LEU H A 111 GLU H 1.0 . 5.0 372 351 A 96 ASP H A 100 ALA H 1.0 . 5.0 373 352 A 100 ALA H A 97 THR HA 1.0 . 5.0 374 353 A 101 LYS H A 98 GLU HA 1.0 . 5.0 375 354 A 103 ILE H A 100 ALA HA 1.0 . 5.0 376 355 A 104 VAL H A 101 LYS HA 1.0 . 5.0 377 356 A 105 ARG H A 102 GLN HA 1.0 . 5.0 378 357 A 106 ARG H A 103 ILE HA 1.0 . 5.0 379 358 A 107 HIS H A 104 VAL HA 1.0 . 5.0 380 359 A 108 LEU H A 105 ARG HA 1.0 . 5.0 381 360 A 109 VAL H A 106 ARG HA 1.0 . 5.0 382 361 A 102 GLN H A 98 GLU HA 1.0 . 5.0 383 362 A 105 ARG H A 101 LYS HA 1.0 . 5.0 384 363 A 97 THR HA A 100 ALA HB% 1.0 . 3.3 385 364 A 98 GLU HA A 101 LYS HBy 1.0 . 3.3 386 364 A 98 GLU HA A 101 LYS HBx 1.0 . 3.3 387 365 A 100 ALA HA A 103 ILE HB 1.0 . 3.3 388 366 A 101 LYS HA A 104 VAL HB 1.0 . 3.3 389 367 A 102 GLN HA A 105 ARG HBy 1.0 . 3.3 390 367 A 102 GLN HA A 105 ARG HBx 1.0 . 3.3 391 368 A 103 ILE HA A 106 ARG HBy 1.0 . 3.3 392 368 A 103 ILE HA A 106 ARG HBx 1.0 . 3.3 393 369 A 104 VAL HA A 107 HIS HBy 1.0 . 3.3 394 369 A 104 VAL HA A 107 HIS HBx 1.0 . 3.3 395 370 A 105 ARG HA A 108 LEU HBy 1.0 . 3.3 396 370 A 105 ARG HA A 108 LEU HBx 1.0 . 3.3 397 371 A 107 HIS HA A 110 ALA HB% 1.0 . 3.3 398 372 A 108 LEU HA A 111 GLU HBy 1.0 . 3.3 399 372 A 108 LEU HA A 111 GLU HBx 1.0 . 3.3 400 373 A 109 VAL HA A 112 THR HB 1.0 . 3.3 401 374 A 111 GLU HA A 114 THR HB 1.0 . 5.0 402 375 A 112 THR HA A 115 ALA HB% 1.0 . 5.0 403 376 A 7 VAL H A 7 VAL HB 1.0 . 2.7 404 377 A 7 VAL H A 8 LEU H 1.0 . 2.7 405 378 A 7 VAL HB A 8 LEU H 1.0 . 2.7 406 379 A 7 VAL HB A 34 ILE HG2% 1.0 . 3.3 407 380 A 7 VAL HB A 34 ILE HD1% 1.0 . 5.0 408 381 A 34 ILE HG2% A 7 VAL HG2% 1.0 . 3.3 409 382 A 34 ILE HG2% A 7 VAL HG1% 1.0 . 3.3 410 383 A 7 VAL HG1% A 51 LEU HD1% 1.0 . 5.0 411 384 A 7 VAL HG2% A 51 LEU HD1% 1.0 . 5.0 412 385 A 52 GLU HA A 7 VAL HA 1.0 . 2.7 413 386 A 7 VAL HA A 52 GLU HGy 1.0 . 3.3 414 386 A 7 VAL HA A 52 GLU HGx 1.0 . 3.3 415 387 A 52 GLU HA A 7 VAL HG1% 1.0 . 3.3 416 388 A 7 VAL HG1% A 85 ILE HG1y 1.0 . 5.0 417 388 A 7 VAL HG1% A 85 ILE HG1x 1.0 . 5.0 418 389 A 7 VAL HG1% A 85 ILE HG2% 1.0 . 5.0 419 390 A 7 VAL HG1% A 85 ILE HD11 1.0 . 5.0 420 391 A 7 VAL HG1% A 89 HIS HE1 1.0 . 5.0 421 392 A 8 LEU HA A 8 LEU HD2% 1.0 . 2.7 422 393 A 8 LEU H A 8 LEU HG 1.0 . 3.3 423 394 A 9 ARG H A 8 LEU HA 1.0 . 2.7 424 395 A 9 ARG H A 8 LEU HD2% 1.0 . 3.3 425 396 A 13 ALA H A 8 LEU HBy 1.0 . 3.3 426 397 A 13 ALA H A 8 LEU HD1% 1.0 . 5.0 427 398 A 13 ALA HA A 8 LEU HD1% 1.0 . 2.7 428 399 A 13 ALA HA A 8 LEU HD2% 1.0 . 5.0 429 400 A 13 ALA HB% A 8 LEU HBy 1.0 . 5.0 430 400 A 13 ALA HB% A 8 LEU HBx 1.0 . 5.0 431 401 A 16 LEU H A 8 LEU HD1% 1.0 . 5.0 432 402 A 16 LEU H A 8 LEU HD2% 1.0 . 5.0 433 403 A 8 LEU HD1% A 16 LEU HG 1.0 . 2.7 434 404 A 8 LEU HD1% A 16 LEU HBx 1.0 . 3.3 435 405 A 8 LEU HD1% A 16 LEU HBy 1.0 . 3.3 436 406 A 34 ILE HD1% A 8 LEU HG 1.0 . 3.3 437 407 A 34 ILE HD1% A 8 LEU HD1% 1.0 . 3.3 438 408 A 85 ILE HD11 A 8 LEU HD2% 1.0 . 5.0 439 409 A 89 HIS HE1 A 8 LEU HD2% 1.0 . 2.7 440 410 A 9 ARG HA A 9 ARG HBx 1.0 . 2.7 441 411 A 9 ARG HA A 9 ARG HBy 1.0 . 2.7 442 412 A 9 ARG H A 9 ARG HBy 1.0 . 2.7 443 413 A 10 GLY H A 9 ARG HBx 1.0 . 5.5 444 414 A 9 ARG HGy A 12 LYS HGy 1.0 . 2.7 445 414 A 9 ARG HGx A 12 LYS HGy 1.0 . 2.7 446 414 A 12 LYS HGx A 9 ARG HGy 1.0 . 2.7 447 414 A 9 ARG HGx A 12 LYS HGx 1.0 . 2.7 448 415 A 9 ARG HDx A 12 LYS HDx 1.0 . 3.3 449 415 A 9 ARG HDy A 12 LYS HDx 1.0 . 3.3 450 415 A 12 LYS HDy A 9 ARG HDx 1.0 . 3.3 451 415 A 9 ARG HDy A 12 LYS HDy 1.0 . 3.3 452 416 A 13 ALA H A 9 ARG H 1.0 . 5.0 453 417 A 12 LYS H A 9 ARG HBx 1.0 . 5.0 454 418 A 12 LYS H A 9 ARG HBy 1.0 . 5.0 455 419 A 9 ARG H A 89 HIS HE1 1.0 . 5.0 456 420 A 10 GLY H A 13 ALA HB% 1.0 . 5.5 457 421 A 12 LYS H A 12 LYS HBx 1.0 . 2.7 458 422 A 12 LYS H A 12 LYS HGy 1.0 . 2.7 459 423 A 12 LYS HA A 88 ILE HG2% 1.0 . 3.3 460 424 A 14 ASP H A 13 ALA HB% 1.0 . 3.3 461 425 A 13 ALA HA A 16 LEU HBy 1.0 . 5.0 462 425 A 13 ALA HA A 16 LEU HBx 1.0 . 5.0 463 426 A 16 LEU HD1% A 16 LEU HBy 1.0 . 3.3 464 427 A 16 LEU HA A 16 LEU HG 1.0 . 5.5 465 428 A 16 LEU HA A 16 LEU HBx 1.0 . 3.3 466 429 A 16 LEU HA A 16 LEU HBy 1.0 . 5.0 467 430 A 17 GLU H A 16 LEU HBy 1.0 . 3.3 468 431 A 16 LEU HD2% A 19 ILE HD1% 1.0 . 3.3 469 432 A 16 LEU HA A 19 ILE HD1% 1.0 . 3.3 470 433 A 16 LEU HA A 29 TYR HD2 1.0 . 5.5 471 434 A 16 LEU HD1% A 29 TYR HBy 1.0 . 2.7 472 435 A 16 LEU HD2% A 29 TYR HBx 1.0 . 2.7 473 436 A 16 LEU HD2% A 29 TYR HBy 1.0 . 2.7 474 437 A 16 LEU H A 88 ILE HD1% 1.0 . 5.0 475 438 A 16 LEU H A 88 ILE HG1y 1.0 . 5.0 476 438 A 16 LEU H A 88 ILE HG1x 1.0 . 5.0 477 439 A 16 LEU H A 88 ILE HG2% 1.0 . 5.0 478 440 A 16 LEU HA A 88 ILE HD1% 1.0 . 5.0 479 441 A 18 ARG H A 17 GLU HBy 1.0 . 3.3 480 441 A 18 ARG H A 17 GLU HBx 1.0 . 3.3 481 442 A 17 GLU HA A 29 TYR HBx 1.0 . 5.0 482 443 A 18 ARG HA A 28 LYS HDx 1.0 . 3.3 483 443 A 18 ARG HA A 28 LYS HDy 1.0 . 3.3 484 444 A 18 ARG HA A 28 LYS HEx 1.0 . 5.0 485 444 A 18 ARG HA A 28 LYS HEy 1.0 . 5.0 486 445 A 19 ILE H A 28 LYS HBy 1.0 . 5.0 487 445 A 19 ILE H A 28 LYS HBx 1.0 . 5.0 488 446 A 19 ILE H A 29 TYR HD2 1.0 . 5.0 489 447 A 29 TYR HD2 A 19 ILE HB 1.0 . 2.7 490 448 A 29 TYR HD2 A 19 ILE HG2% 1.0 . 2.7 491 449 A 19 ILE HG2% A 29 TYR HE2 1.0 . 2.7 492 450 A 29 TYR H A 19 ILE HG2% 1.0 . 5.0 493 451 A 19 ILE HG2% A 84 VAL HG2% 1.0 . 5.0 494 452 A 19 ILE HG2% A 84 VAL HG1% 1.0 . 5.0 495 453 A 19 ILE HD1% A 84 VAL HG1% 1.0 . 2.7 496 454 A 19 ILE HG12 A 94 VAL HG2% 1.0 . 3.3 497 455 A 19 ILE HD1% A 94 VAL HG2% 1.0 . 2.7 498 456 A 96 ASP HA A 19 ILE HG2% 1.0 . 2.7 499 457 A 96 ASP H A 19 ILE HG2% 1.0 . 5.0 500 458 A 97 THR H A 19 ILE HG2% 1.0 . 5.0 501 459 A 20 ARG HA A 28 LYS HA 1.0 . 2.7 502 460 A 22 ARG H A 20 ARG HBy 1.0 . 3.3 503 460 A 22 ARG H A 20 ARG HBx 1.0 . 3.3 504 461 A 21 LEU HA A 21 LEU HD2% 1.0 . 2.7 505 462 A 21 LEU H A 21 LEU HG 1.0 . 2.7 506 463 A 28 LYS HA A 21 LEU HG 1.0 . 5.0 507 464 A 28 LYS H A 21 LEU HD1% 1.0 . 5.0 508 465 A 21 LEU HD2% A 29 TYR HEx 1.0 . 3.3 509 465 A 29 TYR HE2 A 21 LEU HD2% 1.0 . 3.3 510 466 A 21 LEU HD2% A 29 TYR HDx 1.0 . 3.3 511 466 A 29 TYR HD2 A 21 LEU HD2% 1.0 . 3.3 512 467 A 29 TYR HA A 21 LEU HD2% 1.0 . 3.3 513 468 A 29 TYR H A 21 LEU HD2% 1.0 . 5.0 514 469 A 21 LEU HD2% A 33 HIS HE1 1.0 . 5.0 515 470 A 21 LEU HD1% A 33 HIS HE1 1.0 . 3.3 516 471 A 97 THR H A 21 LEU HA 1.0 . 5.0 517 472 A 22 ARG HA A 23 PRO HDy 1.0 . 2.7 518 472 A 22 ARG HA A 23 PRO HDx 1.0 . 2.7 519 473 A 22 ARG HBy A 23 PRO HDy 1.0 . 2.7 520 473 A 22 ARG HBx A 23 PRO HDy 1.0 . 2.7 521 473 A 23 PRO HDx A 22 ARG HBy 1.0 . 2.7 522 473 A 23 PRO HDx A 22 ARG HBx 1.0 . 2.7 523 474 A 22 ARG H A 96 ASP HBx 1.0 . 5.0 524 475 A 22 ARG H A 96 ASP HBy 1.0 . 5.0 525 476 A 22 ARG H A 97 THR H 1.0 . 5.0 526 477 A 97 THR H A 22 ARG HA 1.0 . 5.0 527 478 A 22 ARG HA A 97 THR HB 1.0 . 5.0 528 479 A 24 GLY H A 23 PRO HBx 1.0 . 3.3 529 480 A 24 GLY H A 23 PRO HDx 1.0 . 5.0 530 481 A 23 PRO HA A 96 ASP HBx 1.0 . 3.3 531 482 A 23 PRO HA A 96 ASP HBy 1.0 . 3.3 532 483 A 23 PRO HA A 97 THR H 1.0 . 5.0 533 484 A 23 PRO HDx A 98 GLU HGx 1.0 . 3.3 534 484 A 23 PRO HDy A 98 GLU HGx 1.0 . 3.3 535 484 A 98 GLU HGy A 23 PRO HDy 1.0 . 3.3 536 484 A 23 PRO HDx A 98 GLU HGy 1.0 . 3.3 537 485 A 25 GLY H A 22 ARG HBy 1.0 . 3.3 538 485 A 25 GLY H A 22 ARG HBx 1.0 . 3.3 539 486 A 27 LYS H A 27 LYS HBx 1.0 . 2.7 540 486 A 27 LYS H A 27 LYS HBy 1.0 . 2.7 541 487 A 27 LYS HA A 28 LYS H 1.0 . 2.7 542 488 A 29 TYR H A 29 TYR HD2 1.0 . 3.3 543 489 A 29 TYR HDx A 33 HIS HD2 1.0 . 5.0 544 490 A 33 HIS HD2 A 29 TYR HEx 1.0 . 5.0 545 491 A 29 TYR HA A 33 HIS HE1 1.0 . 3.3 546 492 A 29 TYR HDx A 33 HIS HBx 1.0 . 2.7 547 492 A 29 TYR HDx A 33 HIS HBy 1.0 . 2.7 548 493 A 29 TYR HEx A 33 HIS HBx 1.0 . 3.3 549 493 A 29 TYR HEx A 33 HIS HBy 1.0 . 3.3 550 494 A 29 TYR HA A 33 HIS HBx 1.0 . 5.0 551 494 A 29 TYR HA A 33 HIS HBy 1.0 . 5.0 552 495 A 81 THR HA A 29 TYR HEx 1.0 . 3.3 553 496 A 29 TYR HEx A 81 THR HG2% 1.0 . 3.3 554 497 A 29 TYR HDx A 81 THR HG2% 1.0 . 5.0 555 498 A 29 TYR HE2 A 84 VAL HG1% 1.0 . 5.0 556 499 A 29 TYR HE2 A 84 VAL HG2% 1.0 . 5.0 557 500 A 84 VAL HB A 29 TYR HEx 1.0 . 5.0 558 501 A 97 THR H A 29 TYR HE2 1.0 . 5.0 559 502 A 97 THR HA A 29 TYR HE2 1.0 . 5.0 560 503 A 29 TYR HE2 A 97 THR HG2% 1.0 . 5.0 561 504 A 30 ARG H A 33 HIS HE1 1.0 . 3.3 562 505 A 33 HIS HE1 A 30 ARG HBx 1.0 . 3.3 563 505 A 33 HIS HE1 A 30 ARG HBy 1.0 . 3.3 564 506 A 31 LEU HA A 31 LEU HD2% 1.0 . 2.7 565 506 A 31 LEU HA A 31 LEU HD1% 1.0 . 2.7 566 507 A 31 LEU H A 31 LEU HD1% 1.0 . 3.3 567 508 A 31 LEU HA A 34 ILE HD1% 1.0 . 3.3 568 509 A 34 ILE HD1% A 31 LEU HD2% 1.0 . 5.0 569 509 A 34 ILE HD1% A 31 LEU HD1% 1.0 . 5.0 570 510 A 33 HIS H A 33 HIS HD2 1.0 . 5.0 571 511 A 33 HIS HA A 33 HIS HD2 1.0 . 2.9 572 512 A 33 HIS HA A 36 TRP HE3 1.0 . 5.0 573 513 A 34 ILE H A 34 ILE HB 1.0 . 2.7 574 514 A 35 VAL H A 34 ILE HB 1.0 . 2.7 575 515 A 34 ILE HG2% A 35 VAL HG2% 1.0 . 5.0 576 516 A 34 ILE HA A 37 ALA HB% 1.0 . 3.3 577 517 A 34 ILE HA A 81 THR HG2% 1.0 . 5.0 578 518 A 34 ILE HA A 85 ILE HD11 1.0 . 5.0 579 519 A 85 ILE HD11 A 34 ILE HG1x 1.0 . 5.0 580 520 A 34 ILE HD1% A 85 ILE HD11 1.0 . 3.3 581 521 A 34 ILE HG2% A 85 ILE HD11 1.0 . 3.3 582 522 A 35 VAL HA A 35 VAL HG1% 1.0 . 2.7 583 523 A 35 VAL HA A 35 VAL HG2% 1.0 . 2.7 584 524 A 35 VAL H A 35 VAL HG2% 1.0 . 2.7 585 525 A 35 VAL H A 35 VAL HB 1.0 . 2.7 586 526 A 36 TRP H A 35 VAL HB 1.0 . 2.7 587 527 A 35 VAL HA A 38 ALA HB% 1.0 . 3.3 588 528 A 38 ALA HB% A 35 VAL HG1% 1.0 . 5.0 589 529 A 38 ALA HB% A 35 VAL HG2% 1.0 . 5.0 590 530 A 37 ALA H A 36 TRP HE3 1.0 . 3.3 591 531 A 36 TRP HZ2 A 40 LYS HEx 1.0 . 5.0 592 531 A 36 TRP HZ2 A 40 LYS HEy 1.0 . 5.0 593 532 A 74 ASN HA A 36 TRP HZ2 1.0 . 5.0 594 533 A 36 TRP HZ2 A 74 ASN HBx 1.0 . 5.0 595 534 A 74 ASN HA A 36 TRP HH2 1.0 . 5.0 596 535 A 78 LEU H A 36 TRP HH2 1.0 . 3.3 597 536 A 78 LEU H A 36 TRP HZ3 1.0 . 3.3 598 537 A 78 LEU HA A 36 TRP HZ3 1.0 . 2.7 599 538 A 78 LEU HA A 36 TRP HH2 1.0 . 5.0 600 539 A 36 TRP HZ3 A 78 LEU HD1% 1.0 . 5.0 601 540 A 36 TRP HE3 A 78 LEU HD1% 1.0 . 5.0 602 541 A 81 THR H A 36 TRP HZ3 1.0 . 5.0 603 542 A 81 THR HG2% A 36 TRP HE3 1.0 . 5.0 604 543 A 38 ALA H A 37 ALA HB% 1.0 . 3.3 605 544 A 37 ALA HA A 78 LEU HD1% 1.0 . 2.7 606 545 A 37 ALA HB% A 78 LEU HD1% 1.0 . 3.3 607 546 A 37 ALA HB% A 81 THR HG2% 1.0 . 3.3 608 547 A 37 ALA HB% A 81 THR HB 1.0 . 5.0 609 548 A 38 ALA HB% A 48 GLU HBx 1.0 . 2.7 610 548 A 38 ALA HB% A 48 GLU HBy 1.0 . 2.7 611 549 A 38 ALA HA A 51 LEU HD1% 1.0 . 2.7 612 550 A 38 ALA H A 51 LEU HD1% 1.0 . 3.3 613 551 A 38 ALA HB% A 51 LEU HD1% 1.0 . 3.3 614 552 A 78 LEU HD1% A 40 LYS HBx 1.0 . 3.3 615 552 A 40 LYS HBy A 78 LEU HD1% 1.0 . 3.3 616 553 A 41 LEU H A 41 LEU HG 1.0 . 5.0 617 554 A 41 LEU HA A 44 PHE HDx 1.0 . 3.3 618 555 A 41 LEU HA A 46 LEU HBy 1.0 . 3.3 619 556 A 46 LEU HBy A 41 LEU HD2% 1.0 . 3.3 620 557 A 41 LEU HA A 46 LEU HD1% 1.0 . 5.0 621 558 A 41 LEU HA A 46 LEU HD2% 1.0 . 5.0 622 559 A 48 GLU HA A 41 LEU HD1% 1.0 . 2.7 623 560 A 41 LEU HD1% A 48 GLU HBx 1.0 . 5.0 624 561 A 41 LEU HD1% A 51 LEU HG 1.0 . 2.7 625 562 A 41 LEU HD1% A 51 LEU HD2% 1.0 . 3.3 626 563 A 41 LEU HD1% A 60 ILE HD1% 1.0 . 3.3 627 564 A 41 LEU HD2% A 64 LEU HD1% 1.0 . 5.0 628 565 A 41 LEU H A 78 LEU HD1% 1.0 . 5.0 629 566 A 78 LEU HD1% A 41 LEU HD2% 1.0 . 5.0 630 567 A 41 LEU HD2% A 78 LEU HD2% 1.0 . 5.0 631 568 A 38 ALA HA A 41 LEU HG 1.0 . 5.0 632 569 A 42 ASP H A 48 GLU HBx 1.0 . 5.0 633 570 A 44 PHE H A 44 PHE HBx 1.0 . 2.7 634 571 A 46 LEU HD1% A 44 PHE HBy 1.0 . 5.0 635 572 A 75 LEU HA A 44 PHE HE% 1.0 . 5.0 636 573 A 44 PHE HE% A 75 LEU HD1% 1.0 . 5.0 637 574 A 46 LEU H A 46 LEU HBy 1.0 . 2.7 638 575 A 46 LEU H A 46 LEU HBx 1.0 . 5.0 639 576 A 46 LEU HA A 46 LEU HD2% 1.0 . 3.3 640 577 A 46 LEU HA A 46 LEU HD2% 1.0 . 5.0 641 578 A 46 LEU H A 46 LEU HD1% 1.0 . 5.0 642 579 A 46 LEU H A 46 LEU HG 1.0 . 3.3 643 580 A 46 LEU HA A 46 LEU HG 1.0 . 5.0 644 581 A 47 ALA H A 46 LEU HD2% 1.0 . 3.3 645 582 A 46 LEU HD2% A 50 LEU HD1% 1.0 . 3.3 646 583 A 60 ILE HA A 46 LEU HD1% 1.0 . 3.3 647 584 A 46 LEU HD1% A 60 ILE HG2% 1.0 . 5.0 648 585 A 63 VAL HB A 46 LEU HD2% 1.0 . 5.0 649 586 A 47 ALA HA A 49 SER H 1.0 . 5.0 650 587 A 49 SER H A 47 ALA HB% 1.0 . 2.7 651 588 A 50 LEU HD1% A 47 ALA HB% 1.0 . 5.0 652 589 A 47 ALA H A 50 LEU HD1% 1.0 . 5.0 653 590 A 50 LEU H A 47 ALA HB% 1.0 . 5.0 654 591 A 49 SER H A 50 LEU HG 1.0 . 5.0 655 592 A 49 SER HA A 52 GLU HGy 1.0 . 3.3 656 592 A 52 GLU HGx A 49 SER HA 1.0 . 3.3 657 593 A 49 SER HBx A 52 GLU HGy 1.0 . 5.0 658 593 A 49 SER HBy A 52 GLU HGy 1.0 . 5.0 659 593 A 52 GLU HGx A 49 SER HBx 1.0 . 5.0 660 593 A 52 GLU HGx A 49 SER HBy 1.0 . 5.0 661 594 A 50 LEU H A 50 LEU HG 1.0 . 2.7 662 595 A 50 LEU HA A 50 LEU HG 1.0 . 3.3 663 596 A 50 LEU HA A 50 LEU HD2% 1.0 . 2.7 664 597 A 50 LEU H A 50 LEU HBy 1.0 . 2.7 665 598 A 50 LEU HA A 56 GLY HAx 1.0 . 3.3 666 599 A 50 LEU HD2% A 56 GLY HAx 1.0 . 3.3 667 600 A 56 GLY HAy A 50 LEU HD2% 1.0 . 3.3 668 601 A 51 LEU HD2% A 51 LEU HA 1.0 . 2.7 669 602 A 51 LEU H A 51 LEU HG 1.0 . 3.3 670 603 A 51 LEU HG A 51 LEU HA 1.0 . 3.3 671 604 A 57 CYS HA A 51 LEU HD2% 1.0 . 5.0 672 605 A 57 CYS HA A 51 LEU HA 1.0 . 5.0 673 606 A 60 ILE HD1% A 51 LEU HA 1.0 . 5.0 674 607 A 51 LEU HG A 60 ILE HD1% 1.0 . 5.0 675 608 A 51 LEU HD2% A 60 ILE HD1% 1.0 . 3.3 676 609 A 85 ILE HG2% A 51 LEU HA 1.0 . 5.0 677 610 A 85 ILE HD11 A 51 LEU HD2% 1.0 . 2.7 678 611 A 53 SER HA A 53 SER HBy 1.0 . 2.7 679 611 A 53 SER HA A 53 SER HBx 1.0 . 2.7 680 612 A 56 GLY H A 53 SER HBy 1.0 . 5.0 681 612 A 56 GLY H A 53 SER HBx 1.0 . 5.0 682 613 A 53 SER HA A 89 HIS HD2 1.0 . 5.0 683 614 A 54 LYS HA A 86 TRP HD1 1.0 . 3.3 684 615 A 86 TRP HZ2 A 54 LYS HDx 1.0 . 5.0 685 615 A 54 LYS HDy A 86 TRP HZ2 1.0 . 5.0 686 616 A 86 TRP HE1 A 54 LYS HGx 1.0 . 5.0 687 616 A 54 LYS HGy A 86 TRP HE1 1.0 . 5.0 688 617 A 86 TRP HE1 A 54 LYS HDx 1.0 . 5.0 689 617 A 54 LYS HDy A 86 TRP HE1 1.0 . 5.0 690 618 A 54 LYS HA A 89 HIS HBy 1.0 . 3.3 691 619 A 54 LYS HA A 89 HIS HBx 1.0 . 5.0 692 620 A 54 LYS HA A 89 HIS HD2 1.0 . 3.3 693 621 A 54 LYS H A 89 HIS HD2 1.0 . 5.0 694 622 A 54 LYS H A 89 HIS HBx 1.0 . 3.3 695 623 A 56 GLY H A 50 LEU HD2% 1.0 . 5.0 696 624 A 57 CYS H A 86 TRP HD1 1.0 . 5.0 697 625 A 86 TRP HD1 A 57 CYS HBx 1.0 . 2.7 698 626 A 86 TRP H A 57 CYS HBy 1.0 . 5.0 699 627 A 89 HIS HD2 A 57 CYS HBx 1.0 . 5.0 700 628 A 58 GLN H A 86 TRP HD1 1.0 . 3.3 701 629 A 58 GLN H A 86 TRP HE1 1.0 . 5.0 702 630 A 86 TRP HE1 A 58 GLN HBx 1.0 . 5.0 703 630 A 58 GLN HBy A 86 TRP HE1 1.0 . 5.0 704 631 A 86 TRP HE1 A 58 GLN HGy 1.0 . 5.0 705 631 A 86 TRP HE1 A 58 GLN HGx 1.0 . 5.0 706 632 A 86 TRP HD1 A 58 GLN HBx 1.0 . 5.0 707 632 A 58 GLN HBy A 86 TRP HD1 1.0 . 5.0 708 633 A 86 TRP HD1 A 58 GLN HGy 1.0 . 5.0 709 633 A 86 TRP HD1 A 58 GLN HGx 1.0 . 5.0 710 634 A 60 ILE H A 60 ILE HD1% 1.0 . 5.0 711 635 A 60 ILE H A 60 ILE HB 1.0 . 3.3 712 636 A 60 ILE H A 60 ILE HG1y 1.0 . 2.7 713 637 A 61 LEU H A 60 ILE HG2% 1.0 . 5.0 714 638 A 61 LEU H A 60 ILE HB 1.0 . 2.7 715 639 A 64 LEU HD1% A 60 ILE HG2% 1.0 . 3.3 716 640 A 60 ILE HG2% A 64 LEU HG 1.0 . 3.3 717 641 A 61 LEU HA A 61 LEU HD2% 1.0 . 2.7 718 642 A 61 LEU H A 61 LEU HBy 1.0 . 2.7 719 643 A 61 LEU H A 61 LEU HG 1.0 . 2.7 720 644 A 62 THR H A 61 LEU HBy 1.0 . 3.3 721 645 A 61 LEU HA A 64 LEU HD1% 1.0 . 5.0 722 646 A 61 LEU HA A 79 PHE HE1 1.0 . 3.3 723 647 A 61 LEU HA A 79 PHE HD1 1.0 . 3.3 724 648 A 61 LEU HD2% A 79 PHE HE1 1.0 . 3.3 725 649 A 61 LEU HD2% A 79 PHE HD1 1.0 . 3.3 726 650 A 79 PHE HA A 61 LEU HD2% 1.0 . 5.0 727 651 A 61 LEU HD2% A 82 VAL HG2% 1.0 . 3.3 728 652 A 82 VAL HB A 61 LEU HD2% 1.0 . 2.7 729 653 A 61 LEU H A 82 VAL HG2% 1.0 . 5.0 730 654 A 83 CYS HA A 61 LEU HD2% 1.0 . 5.0 731 655 A 83 CYS HA A 61 LEU HD1% 1.0 . 3.3 732 656 A 83 CYS H A 61 LEU HD2% 1.0 . 3.3 733 657 A 61 LEU HD1% A 86 TRP HBy 1.0 . 5.0 734 658 A 86 TRP HBx A 61 LEU HD1% 1.0 . 5.0 735 659 A 86 TRP HD1 A 61 LEU HD1% 1.0 . 5.0 736 660 A 61 LEU HD1% A 104 VAL HG1% 1.0 . 3.3 737 661 A 59 LYS HA A 62 THR HG2% 1.0 . 3.3 738 662 A 59 LYS HA A 62 THR HB 1.0 . 3.3 739 663 A 62 THR H A 62 THR HB 1.0 . 2.7 740 664 A 64 LEU H A 64 LEU HG 1.0 . 2.7 741 665 A 64 LEU HA A 64 LEU HG 1.0 . 5.0 742 666 A 64 LEU HA A 64 LEU HD2% 1.0 . 3.3 743 667 A 64 LEU HA A 67 MET HBx 1.0 . 3.3 744 668 A 64 LEU HA A 67 MET HGx 1.0 . 5.0 745 668 A 64 LEU HA A 67 MET HGy 1.0 . 5.0 746 669 A 64 LEU HA A 75 LEU HD1% 1.0 . 5.0 747 670 A 75 LEU HD1% A 64 LEU HD2% 1.0 . 5.0 748 671 A 64 LEU HD1% A 78 LEU HD2% 1.0 . 5.0 749 672 A 78 LEU HD2% A 64 LEU HD2% 1.0 . 5.0 750 673 A 64 LEU HD1% A 78 LEU HG 1.0 . 3.3 751 674 A 79 PHE H A 64 LEU HD1% 1.0 . 5.0 752 675 A 79 PHE HA A 64 LEU HD1% 1.0 . 3.3 753 676 A 64 LEU HD1% A 79 PHE HD1 1.0 . 3.3 754 677 A 64 LEU HD1% A 82 VAL HG1% 1.0 . 3.3 755 678 A 65 ASP H A 66 PRO HDy 1.0 . 3.3 756 679 A 65 ASP H A 66 PRO HDx 1.0 . 3.3 757 680 A 65 ASP HBx A 66 PRO HDx 1.0 . 2.7 758 680 A 65 ASP HBy A 66 PRO HDx 1.0 . 2.7 759 680 A 66 PRO HDy A 65 ASP HBx 1.0 . 2.7 760 680 A 65 ASP HBy A 66 PRO HDy 1.0 . 2.7 761 681 A 79 PHE HE1 A 65 ASP HBx 1.0 . 5.0 762 681 A 79 PHE HE1 A 65 ASP HBy 1.0 . 5.0 763 682 A 65 ASP H A 79 PHE HE1 1.0 . 5.0 764 683 A 65 ASP H A 79 PHE HD1 1.0 . 5.0 765 684 A 65 ASP HA A 79 PHE HE1 1.0 . 3.3 766 685 A 65 ASP HA A 79 PHE HD1 1.0 . 5.0 767 686 A 67 MET H A 66 PRO HBx 1.0 . 5.0 768 687 A 67 MET H A 66 PRO HGx 1.0 . 3.3 769 688 A 67 MET H A 66 PRO HDy 1.0 . 3.3 770 689 A 75 LEU HD1% A 67 MET HBy 1.0 . 5.0 771 689 A 75 LEU HD1% A 67 MET HBx 1.0 . 5.0 772 690 A 75 LEU HD2% A 67 MET HBy 1.0 . 5.0 773 690 A 67 MET HBx A 75 LEU HD2% 1.0 . 5.0 774 691 A 68 VAL H A 66 PRO HDy 1.0 . 5.0 775 692 A 68 VAL H A 68 VAL HG2% 1.0 . 3.3 776 693 A 68 VAL H A 68 VAL HB 1.0 . 2.7 777 694 A 68 VAL HA A 68 VAL HG2% 1.0 . 2.7 778 695 A 68 VAL HA A 75 LEU HD2% 1.0 . 2.7 779 696 A 75 LEU HD2% A 68 VAL HG2% 1.0 . 3.3 780 697 A 76 LYS HA A 68 VAL HG2% 1.0 . 3.3 781 698 A 68 VAL HG2% A 76 LYS HBx 1.0 . 5.0 782 698 A 76 LYS HBy A 68 VAL HG2% 1.0 . 5.0 783 699 A 68 VAL HG2% A 76 LYS HGy 1.0 . 3.3 784 699 A 68 VAL HG2% A 76 LYS HGx 1.0 . 3.3 785 700 A 68 VAL HG1% A 76 LYS HGy 1.0 . 3.3 786 700 A 76 LYS HGx A 68 VAL HG1% 1.0 . 3.3 787 701 A 68 VAL HG1% A 76 LYS HEx 1.0 . 3.3 788 701 A 68 VAL HG1% A 76 LYS HEy 1.0 . 3.3 789 702 A 79 PHE HE1 A 68 VAL HG2% 1.0 . 2.7 790 702 A 68 VAL HG2% A 79 PHE HEy 1.0 . 2.7 791 703 A 79 PHE HD1 A 68 VAL HG2% 1.0 . 2.7 792 703 A 68 VAL HG2% A 79 PHE HDy 1.0 . 2.7 793 704 A 79 PHE HBy A 68 VAL HG2% 1.0 . 3.3 794 705 A 68 VAL HG2% A 79 PHE HBx 1.0 . 3.3 795 706 A 70 THR H A 69 PRO HBx 1.0 . 5.0 796 707 A 70 THR H A 69 PRO HGx 1.0 . 3.3 797 708 A 70 THR H A 69 PRO HDx 1.0 . 3.3 798 709 A 71 GLY H A 75 LEU HD2% 1.0 . 5.0 799 710 A 71 GLY HAx A 75 LEU HD2% 1.0 . 3.3 800 711 A 71 GLY HAy A 75 LEU HD2% 1.0 . 5.0 801 712 A 71 GLY H A 76 LYS HEx 1.0 . 5.0 802 712 A 71 GLY H A 76 LYS HEy 1.0 . 5.0 803 713 A 72 SER H A 72 SER HBy 1.0 . 2.7 804 714 A 73 GLU H A 72 SER HBx 1.0 . 2.7 805 715 A 72 SER H A 75 LEU HD2% 1.0 . 5.0 806 716 A 72 SER H A 75 LEU HBy 1.0 . 5.0 807 716 A 72 SER H A 75 LEU HBx 1.0 . 5.0 808 717 A 74 ASN HA A 77 SER HBy 1.0 . 5.0 809 717 A 74 ASN HA A 77 SER HBx 1.0 . 5.0 810 718 A 75 LEU H A 75 LEU HBy 1.0 . 2.7 811 718 A 75 LEU H A 75 LEU HBx 1.0 . 2.7 812 719 A 75 LEU HA A 75 LEU HG 1.0 . 2.7 813 720 A 79 PHE H A 75 LEU HG 1.0 . 5.0 814 721 A 36 TRP HH2 A 77 SER HBy 1.0 . 3.3 815 721 A 77 SER HBx A 36 TRP HH2 1.0 . 3.3 816 722 A 77 SER HA A 80 ASN HBy 1.0 . 3.3 817 722 A 77 SER HA A 80 ASN HBx 1.0 . 3.3 818 723 A 78 LEU HA A 78 LEU HD1% 1.0 . 2.7 819 724 A 79 PHE H A 78 LEU HBy 1.0 . 3.3 820 724 A 79 PHE H A 78 LEU HBx 1.0 . 3.3 821 725 A 82 VAL HG2% A 78 LEU HG 1.0 . 3.3 822 726 A 78 LEU HD1% A 82 VAL HG2% 1.0 . 3.3 823 727 A 79 PHE HEy A 101 LYS HGx 1.0 . 5.0 824 727 A 79 PHE HEy A 101 LYS HGy 1.0 . 5.0 825 728 A 79 PHE HDy A 101 LYS HGx 1.0 . 5.0 826 728 A 101 LYS HGy A 79 PHE HDy 1.0 . 5.0 827 729 A 80 ASN HA A 97 THR HG2% 1.0 . 5.0 828 730 A 97 THR HG2% A 80 ASN HBy 1.0 . 3.3 829 730 A 80 ASN HBx A 97 THR HG2% 1.0 . 3.3 830 731 A 80 ASN HA A 101 LYS HGx 1.0 . 3.3 831 731 A 80 ASN HA A 101 LYS HGy 1.0 . 3.3 832 732 A 81 THR HA A 81 THR HG2% 1.0 . 2.7 833 733 A 81 THR H A 81 THR HB 1.0 . 2.7 834 734 A 82 VAL H A 81 THR HB 1.0 . 2.7 835 735 A 82 VAL HA A 82 VAL HG2% 1.0 . 2.7 836 736 A 82 VAL H A 82 VAL HB 1.0 . 2.7 837 737 A 83 CYS H A 82 VAL HB 1.0 . 3.3 838 738 A 83 CYS H A 82 VAL HG1% 1.0 . 5.0 839 739 A 100 ALA HB% A 83 CYS HBy 1.0 . 5.0 840 739 A 83 CYS HBx A 100 ALA HB% 1.0 . 5.0 841 740 A 101 LYS HA A 83 CYS HBy 1.0 . 5.0 842 740 A 83 CYS HBx A 101 LYS HA 1.0 . 5.0 843 741 A 83 CYS HA A 104 VAL HG2% 1.0 . 2.7 844 742 A 104 VAL HG2% A 83 CYS HBy 1.0 . 3.3 845 742 A 83 CYS HBx A 104 VAL HG2% 1.0 . 3.3 846 743 A 104 VAL HG1% A 83 CYS HBy 1.0 . 5.0 847 743 A 83 CYS HBx A 104 VAL HG1% 1.0 . 5.0 848 744 A 84 VAL H A 84 VAL HB 1.0 . 2.7 849 745 A 84 VAL H A 84 VAL HG2% 1.0 . 3.3 850 746 A 84 VAL HA A 84 VAL HG2% 1.0 . 2.7 851 747 A 84 VAL HA A 84 VAL HG1% 1.0 . 2.7 852 748 A 85 ILE H A 84 VAL HB 1.0 . 2.7 853 749 A 88 ILE HG2% A 84 VAL HG1% 1.0 . 5.0 854 750 A 84 VAL HG1% A 94 VAL HG2% 1.0 . 5.0 855 751 A 84 VAL HA A 94 VAL HG2% 1.0 . 5.0 856 752 A 97 THR HA A 84 VAL HG2% 1.0 . 2.7 857 753 A 84 VAL HG2% A 97 THR HG2% 1.0 . 2.7 858 754 A 100 ALA HB% A 84 VAL HG2% 1.0 . 3.3 859 755 A 84 VAL H A 100 ALA HB% 1.0 . 5.0 860 756 A 84 VAL HA A 100 ALA HB% 1.0 . 2.7 861 757 A 85 ILE HA A 85 ILE HD11 1.0 . 3.3 862 758 A 85 ILE H A 85 ILE HB 1.0 . 2.7 863 759 A 85 ILE H A 85 ILE HG1y 1.0 . 2.7 864 759 A 85 ILE H A 85 ILE HG1x 1.0 . 2.7 865 760 A 86 TRP H A 85 ILE HB 1.0 . 3.3 866 761 A 85 ILE HA A 88 ILE HB 1.0 . 3.3 867 762 A 85 ILE HG2% A 89 HIS HD2 1.0 . 2.7 868 763 A 86 TRP H A 86 TRP HBy 1.0 . 2.7 869 764 A 86 TRP H A 86 TRP HBx 1.0 . 2.7 870 765 A 87 CYS HA A 86 TRP HE3 1.0 . 2.7 871 766 A 87 CYS H A 86 TRP HBx 1.0 . 2.7 872 767 A 86 TRP HA A 89 HIS HD2 1.0 . 3.3 873 768 A 104 VAL HG2% A 86 TRP HBy 1.0 . 5.0 874 768 A 86 TRP HBx A 104 VAL HG2% 1.0 . 5.0 875 769 A 104 VAL HG2% A 86 TRP HE3 1.0 . 2.7 876 770 A 104 VAL HG2% A 86 TRP HZ3 1.0 . 5.0 877 771 A 87 CYS HA A 90 ALA HB% 1.0 . 2.7 878 772 A 87 CYS HBx A 92 GLU HBx 1.0 . 5.0 879 772 A 87 CYS HBx A 92 GLU HBy 1.0 . 5.0 880 773 A 87 CYS HA A 92 GLU HBy 1.0 . 3.3 881 773 A 87 CYS HA A 92 GLU HBx 1.0 . 3.3 882 774 A 92 GLU H A 87 CYS HBx 1.0 . 5.0 883 775 A 92 GLU H A 87 CYS HA 1.0 . 5.0 884 776 A 87 CYS HBx A 94 VAL HG1% 1.0 . 5.0 885 777 A 100 ALA HB% A 87 CYS HBy 1.0 . 5.0 886 778 A 87 CYS HA A 104 VAL HG2% 1.0 . 5.0 887 779 A 87 CYS H A 104 VAL HG2% 1.0 . 5.0 888 780 A 88 ILE HA A 88 ILE HG1y 1.0 . 2.7 889 780 A 88 ILE HA A 88 ILE HG1x 1.0 . 2.7 890 781 A 88 ILE HA A 88 ILE HG2% 1.0 . 2.7 891 782 A 88 ILE H A 88 ILE HG1y 1.0 . 2.7 892 783 A 88 ILE H A 88 ILE HB 1.0 . 2.7 893 784 A 89 HIS H A 88 ILE HB 1.0 . 2.7 894 785 A 89 HIS HBy A 89 HIS HD2 1.0 . 3.3 895 786 A 90 ALA HA A 54 LYS HDx 1.0 . 2.9 896 786 A 54 LYS HDy A 90 ALA HA 1.0 . 2.9 897 787 A 90 ALA HA A 54 LYS HEx 1.0 . 3.3 898 787 A 90 ALA HA A 54 LYS HEy 1.0 . 3.3 899 788 A 90 ALA HB% A 86 TRP HH2 1.0 . 3.3 900 789 A 90 ALA HB% A 86 TRP HZ2 1.0 . 3.3 901 790 A 90 ALA HB% A 86 TRP HZ3 1.0 . 3.3 902 791 A 90 ALA HB% A 86 TRP HE3 1.0 . 3.3 903 792 A 90 ALA HB% A 92 GLU HBy 1.0 . 3.3 904 792 A 90 ALA HB% A 92 GLU HBx 1.0 . 3.3 905 793 A 90 ALA HB% A 92 GLU HGx 1.0 . 2.7 906 793 A 90 ALA HB% A 92 GLU HGy 1.0 . 2.7 907 794 A 88 ILE HA A 91 GLU HA 1.0 . 5.0 908 795 A 92 GLU H A 92 GLU HBy 1.0 . 3.3 909 795 A 92 GLU H A 92 GLU HBx 1.0 . 3.3 910 796 A 92 GLU HA A 94 VAL HG1% 1.0 . 5.0 911 797 A 94 VAL HG1% A 92 GLU HBy 1.0 . 5.0 912 797 A 92 GLU HBx A 94 VAL HG1% 1.0 . 5.0 913 798 A 103 ILE HG2% A 92 GLU HBy 1.0 . 3.3 914 798 A 92 GLU HBx A 103 ILE HG2% 1.0 . 3.3 915 799 A 103 ILE HD1% A 92 GLU HBy 1.0 . 3.3 916 799 A 92 GLU HBx A 103 ILE HD1% 1.0 . 3.3 917 800 A 103 ILE HG2% A 92 GLU HGx 1.0 . 3.3 918 800 A 92 GLU HGy A 103 ILE HG2% 1.0 . 3.3 919 801 A 103 ILE HD1% A 92 GLU HGx 1.0 . 5.0 920 801 A 92 GLU HGy A 103 ILE HD1% 1.0 . 5.0 921 802 A 94 VAL H A 94 VAL HG1% 1.0 . 3.3 922 803 A 94 VAL H A 94 VAL HG2% 1.0 . 2.7 923 804 A 94 VAL HA A 94 VAL HB 1.0 . 2.7 924 805 A 95 LYS H A 94 VAL HB 1.0 . 3.3 925 806 A 96 ASP H A 94 VAL HB 1.0 . 3.3 926 807 A 96 ASP H A 94 VAL HG2% 1.0 . 5.0 927 808 A 100 ALA HB% A 94 VAL HB 1.0 . 5.0 928 809 A 100 ALA H A 94 VAL HB 1.0 . 3.3 929 810 A 100 ALA HA A 94 VAL HB 1.0 . 5.0 930 811 A 100 ALA HA A 94 VAL HG1% 1.0 . 2.7 931 812 A 100 ALA HB% A 94 VAL HG1% 1.0 . 3.3 932 813 A 100 ALA HB% A 94 VAL HG2% 1.0 . 2.7 933 814 A 94 VAL HG1% A 103 ILE HD1% 1.0 . 2.7 934 815 A 96 ASP H A 96 ASP HBy 1.0 . 3.3 935 816 A 96 ASP HA A 96 ASP HBx 1.0 . 2.7 936 817 A 96 ASP HA A 96 ASP HBy 1.0 . 2.7 937 818 A 97 THR H A 96 ASP HBx 1.0 . 3.3 938 819 A 98 GLU H A 96 ASP HBx 1.0 . 3.3 939 820 A 98 GLU H A 97 THR HB 1.0 . 3.3 940 821 A 97 THR HA A 100 ALA HB% 1.0 . 3.3 941 822 A 100 ALA H A 100 ALA HA 1.0 . 3.3 942 823 A 100 ALA H A 100 ALA HB% 1.0 . 2.7 943 824 A 101 LYS HA A 101 LYS HBy 1.0 . 2.7 944 824 A 101 LYS HA A 101 LYS HBx 1.0 . 2.7 945 825 A 103 ILE H A 103 ILE HB 1.0 . 2.7 946 826 A 103 ILE H A 103 ILE HG1x 1.0 . 2.7 947 827 A 103 ILE HA A 103 ILE HG1y 1.0 . 2.7 948 828 A 103 ILE HB A 103 ILE HG1x 1.0 . 2.7 949 829 A 105 ARG H A 104 VAL HB 1.0 . 3.3 950 830 A 105 ARG H A 104 VAL HG1% 1.0 . 3.3 951 831 A 104 VAL HA A 107 HIS HBy 1.0 . 5.0 952 831 A 104 VAL HA A 107 HIS HBx 1.0 . 5.0 953 832 A 104 VAL HG1% A 108 LEU HD1% 1.0 . 2.7 954 833 A 104 VAL HG1% A 108 LEU HBy 1.0 . 5.0 955 833 A 108 LEU HBx A 104 VAL HG1% 1.0 . 5.0 956 834 A 109 VAL HG2% A 105 ARG HGx 1.0 . 3.3 957 834 A 105 ARG HGy A 109 VAL HG2% 1.0 . 3.3 958 835 A 103 ILE HG2% A 107 HIS HD2 1.0 . 2.7 959 836 A 107 HIS H A 107 HIS HBx 1.0 . 2.7 960 837 A 107 HIS HA A 107 HIS HBy 1.0 . 2.7 961 838 A 107 HIS HBx A 107 HIS HD2 1.0 . 3.3 962 839 A 108 LEU HA A 108 LEU HD2% 1.0 . 2.7 963 840 A 108 LEU H A 108 LEU HG 1.0 . 2.7 964 841 A 112 THR HA A 112 THR HG2% 1.0 . 2.7 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 21 LEU H A 27 LYS O 1.0 . 2.0 2 2 A 27 LYS O A 21 LEU N 1.0 . 3.0 3 3 A 29 TYR OH A 97 THR HG1 1.0 . 2.0 4 4 A 29 TYR OH A 97 THR OG1 1.0 . 3.0 5 5 A 30 ARG H A 33 HIS ND1 1.0 . 2.0 6 6 A 33 HIS ND1 A 30 ARG N 1.0 . 3.0 7 7 A 56 GLY H A 53 SER OG 1.0 . 2.0 8 8 A 53 SER OG A 56 GLY N 1.0 . 3.0 9 9 A 89 HIS ND1 A 12 LYS HZ% 1.0 . 2.0 10 10 A 89 HIS ND1 A 12 LYS NZ 1.0 . 3.0 11 11 A 89 HIS HE2 A 51 LEU O 1.0 . 2.0 12 12 A 51 LEU O A 89 HIS NE2 1.0 . 3.0 13 13 A 92 GLU OE1 A 107 HIS HE2 1.0 . 2.0 14 14 A 92 GLU OE1 A 107 HIS NE2 1.0 . 3.0 15 15 A 99 GLY H A 96 ASP OD1 1.0 . 2.0 16 16 A 96 ASP OD1 A 99 GLY N 1.0 . 3.0 stop_ save_