data_nef_c15707_2k2j 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 GLY start . false 2 A 2 GLY middle . false 3 A 3 GLY middle . false 4 A 4 SER middle . . 5 A 5 GLY middle . false 6 A 6 GLY middle . false 7 A 7 SER middle . . 8 A 8 LYS middle . . 9 A 9 LYS middle . . 10 A 10 ASP middle . . 11 A 11 GLU middle . . 12 A 12 HIS middle . . 13 A 13 LYS middle . . 14 A 14 GLN middle . . 15 A 15 GLN middle . . 16 A 16 GLY middle . false 17 A 17 GLU middle . . 18 A 18 LEU middle . . 19 A 19 TYR middle . . 20 A 20 MET middle . . 21 A 21 TRP middle . . 22 A 22 ASP middle . . 23 A 23 SER middle . . 24 A 24 ILE middle . . 25 A 25 ASP middle . . 26 A 26 GLN middle . . 27 A 27 LYS middle . . 28 A 28 TRP middle . . 29 A 29 THR middle . . 30 A 30 ARG middle . . 31 A 31 HIS middle . . 32 A 32 TYR middle . . 33 A 33 CYS middle . . 34 A 34 ALA middle . . 35 A 35 ILE middle . . 36 A 36 ALA middle . . 37 A 37 ASP middle . . 38 A 38 ALA middle . . 39 A 39 LYS middle . . 40 A 40 LEU middle . . 41 A 41 SER middle . . 42 A 42 PHE middle . . 43 A 43 SER middle . . 44 A 44 ASP middle . . 45 A 45 ASP middle . . 46 A 46 ILE middle . . 47 A 47 GLU middle . . 48 A 48 GLN middle . . 49 A 49 THR middle . . 50 A 50 MET middle . . 51 A 51 GLU middle . . 52 A 52 GLU middle . . 53 A 53 ASP middle . . 54 A 54 ASN middle . . 55 A 55 PRO middle . false 56 A 56 LEU middle . . 57 A 57 GLY middle . false 58 A 58 SER middle . . 59 A 59 LEU middle . . 60 A 60 CYS middle . . 61 A 61 ARG middle . . 62 A 62 GLY middle . false 63 A 63 ILE middle . . 64 A 64 LEU middle . . 65 A 65 ASP middle . . 66 A 66 LEU middle . . 67 A 67 ASN middle . . 68 A 68 THR middle . . 69 A 69 TYR middle . . 70 A 70 ASN middle . . 71 A 71 VAL middle . . 72 A 72 VAL middle . . 73 A 73 LYS middle . . 74 A 74 ALA middle . . 75 A 75 PRO middle . false 76 A 76 GLN middle . . 77 A 77 GLY middle . false 78 A 78 LYS middle . . 79 A 79 ASN middle . . 80 A 80 GLN middle . . 81 A 81 LYS middle . . 82 A 82 SER middle . . 83 A 83 PHE middle . . 84 A 84 VAL middle . . 85 A 85 PHE middle . . 86 A 86 ILE middle . . 87 A 87 LEU middle . . 88 A 88 GLU middle . . 89 A 89 PRO middle . false 90 A 90 LYS middle . . 91 A 91 GLN middle . . 92 A 92 GLN middle . . 93 A 93 GLY middle . false 94 A 94 ASP middle . . 95 A 95 PRO middle . false 96 A 96 PRO middle . false 97 A 97 VAL middle . . 98 A 98 GLU middle . . 99 A 99 PHE middle . . 100 A 100 ALA middle . . 101 A 101 THR middle . . 102 A 102 ASP middle . . 103 A 103 ARG middle . . 104 A 104 VAL middle . . 105 A 105 GLU middle . . 106 A 106 GLU middle . . 107 A 107 LEU middle . . 108 A 108 PHE middle . . 109 A 109 GLU middle . . 110 A 110 TRP middle . . 111 A 111 PHE middle . . 112 A 112 GLN middle . . 113 A 113 SER middle . . 114 A 114 ILE middle . . 115 A 115 ARG middle . . 116 A 116 GLU middle . . 117 A 117 ILE middle . . 118 A 118 THR middle . . 119 A 119 TRP middle . . 120 A 120 LYS middle . . 121 A 121 ILE middle . . 122 A 122 ASP middle . . 123 A 123 THR middle . . 124 A 124 LYS 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 8 LYS C C 13 176.768 0.4 A 9 LYS H H 1 8.338 0.02 A 9 LYS C C 13 176.402 0.4 A 9 LYS N N 15 122.857 0.1 A 10 ASP H H 1 8.335 0.02 A 10 ASP HA H 1 4.562 0.02 A 10 ASP HBx H 1 2.576 0.02 A 10 ASP HBy H 1 2.679 0.02 A 10 ASP C C 13 176.123 0.4 A 10 ASP CA C 13 54.344 0.4 A 10 ASP CB C 13 41.227 0.4 A 10 ASP N N 15 121.507 0.1 A 11 GLU H H 1 8.231 0.02 A 11 GLU HA H 1 4.222 0.02 A 11 GLU HBx H 1 1.857 0.02 A 11 GLU HBy H 1 1.976 0.02 A 11 GLU HGx H 1 2.117 0.02 A 11 GLU HGy H 1 2.19 0.02 A 11 GLU CA C 13 56.356 0.4 A 11 GLU CB C 13 30.439 0.4 A 11 GLU CG C 13 36.19 0.4 A 11 GLU N N 15 121.321 0.1 A 12 HIS H H 1 8.431 0.02 A 12 HIS HA H 1 4.618 0.02 A 12 HIS HBx H 1 3.056 0.02 A 12 HIS HBy H 1 3.11 0.02 A 12 HIS HD2 H 1 7.02 0.02 A 12 HIS C C 13 174.98 0.4 A 12 HIS CA C 13 55.952 0.4 A 12 HIS CB C 13 30.058 0.4 A 12 HIS CD2 C 13 120.095 0.4 A 12 HIS N N 15 120.447 0.1 A 13 LYS H H 1 8.191 0.02 A 13 LYS HA H 1 4.355 0.02 A 13 LYS HBx H 1 1.647 0.02 A 13 LYS HBy H 1 1.696 0.02 A 13 LYS HD2 H 1 1.629 0.02 A 13 LYS HD3 H 1 1.629 0.02 A 13 LYS HE2 H 1 2.95 0.02 A 13 LYS HE3 H 1 2.95 0.02 A 13 LYS HGx H 1 1.26 0.02 A 13 LYS HGy H 1 1.344 0.02 A 13 LYS C C 13 175.327 0.4 A 13 LYS CA C 13 55.62 0.4 A 13 LYS CB C 13 33.729 0.4 A 13 LYS CD C 13 28.919 0.4 A 13 LYS CE C 13 41.971 0.4 A 13 LYS CG C 13 24.568 0.4 A 13 LYS N N 15 124.365 0.1 A 14 GLN H H 1 8.229 0.02 A 14 GLN HA H 1 4.037 0.02 A 14 GLN HBx H 1 1.308 0.02 A 14 GLN HBy H 1 1.657 0.02 A 14 GLN HE2x H 1 4.322 0.02 A 14 GLN HE2y H 1 6.762 0.02 A 14 GLN HGx H 1 0.354 0.02 A 14 GLN HGy H 1 1.23 0.02 A 14 GLN C C 13 173.432 0.4 A 14 GLN CA C 13 54.613 0.4 A 14 GLN CB C 13 29.096 0.4 A 14 GLN CG C 13 31.661 0.4 A 14 GLN N N 15 123.823 0.1 A 14 GLN NE2 N 15 109.67 0.1 A 15 GLN H H 1 7.896 0.02 A 15 GLN HA H 1 5.459 0.02 A 15 GLN HBx H 1 2.232 0.02 A 15 GLN HBy H 1 2.293 0.02 A 15 GLN HGx H 1 2.301 0.02 A 15 GLN HGy H 1 2.342 0.02 A 15 GLN C C 13 174.263 0.4 A 15 GLN CA C 13 54.506 0.4 A 15 GLN CB C 13 31.418 0.4 A 15 GLN CG C 13 32.177 0.4 A 15 GLN N N 15 121.452 0.1 A 16 GLY H H 1 8.795 0.02 A 16 GLY HA2 H 1 4.056 0.02 A 16 GLY HA3 H 1 4.801 0.02 A 16 GLY C C 13 171.456 0.4 A 16 GLY CA C 13 44.773 0.4 A 16 GLY N N 15 107.937 0.1 A 17 GLU H H 1 8.718 0.02 A 17 GLU HA H 1 5.22 0.02 A 17 GLU HBx H 1 1.745 0.02 A 17 GLU HBy H 1 2.011 0.02 A 17 GLU HGx H 1 2.141 0.02 A 17 GLU HGy H 1 2.43 0.02 A 17 GLU C C 13 176.562 0.4 A 17 GLU CA C 13 55.88 0.4 A 17 GLU CB C 13 30.995 0.4 A 17 GLU CG C 13 37.468 0.4 A 17 GLU N N 15 119.686 0.1 A 18 LEU H H 1 8.806 0.02 A 18 LEU HA H 1 4.652 0.02 A 18 LEU HBx H 1 1.471 0.02 A 18 LEU HBy H 1 1.664 0.02 A 18 LEU HDx% H 1 -0.658 0.02 A 18 LEU HDy% H 1 0.069 0.02 A 18 LEU HG H 1 0.712 0.02 A 18 LEU C C 13 176.851 0.4 A 18 LEU CA C 13 53.786 0.4 A 18 LEU CB C 13 47.961 0.4 A 18 LEU CDx C 13 23.81 0.4 A 18 LEU CDy C 13 24.431 0.4 A 18 LEU CG C 13 27.101 0.4 A 18 LEU N N 15 122.158 0.1 A 19 TYR H H 1 8.833 0.02 A 19 TYR HA H 1 5.837 0.02 A 19 TYR HBx H 1 2.588 0.02 A 19 TYR HBy H 1 3.234 0.02 A 19 TYR HDx H 1 6.818 0.02 A 19 TYR HDy H 1 6.818 0.02 A 19 TYR HEx H 1 6.812 0.02 A 19 TYR HEy H 1 6.812 0.02 A 19 TYR C C 13 176.038 0.4 A 19 TYR CA C 13 56.75 0.4 A 19 TYR CB C 13 40.531 0.4 A 19 TYR CD1 C 13 133.305 0.4 A 19 TYR CD2 C 13 133.305 0.4 A 19 TYR CE1 C 13 118.689 0.4 A 19 TYR CE2 C 13 118.689 0.4 A 19 TYR N N 15 117.278 0.1 A 20 MET H H 1 9.743 0.02 A 20 MET HA H 1 5.207 0.02 A 20 MET HBx H 1 1.331 0.02 A 20 MET HBy H 1 1.686 0.02 A 20 MET HE% H 1 2.084 0.02 A 20 MET HGx H 1 1.579 0.02 A 20 MET HGy H 1 1.734 0.02 A 20 MET C C 13 175.349 0.4 A 20 MET CA C 13 54.611 0.4 A 20 MET CB C 13 37.352 0.4 A 20 MET CE C 13 17.079 0.4 A 20 MET CG C 13 31.787 0.4 A 20 MET N N 15 120.128 0.1 A 21 TRP H H 1 8.142 0.02 A 21 TRP HA H 1 4.084 0.02 A 21 TRP HBx H 1 1.402 0.02 A 21 TRP HBy H 1 2.518 0.02 A 21 TRP HD1 H 1 6.652 0.02 A 21 TRP HE1 H 1 9.551 0.02 A 21 TRP HE3 H 1 6.261 0.02 A 21 TRP HZ2 H 1 6.93 0.02 A 21 TRP HZ3 H 1 6.597 0.02 A 21 TRP C C 13 174.752 0.4 A 21 TRP CA C 13 56.246 0.4 A 21 TRP CB C 13 29.682 0.4 A 21 TRP CD1 C 13 126.955 0.4 A 21 TRP CE3 C 13 120.756 0.4 A 21 TRP CZ2 C 13 113.3 0.4 A 21 TRP CZ3 C 13 123.724 0.4 A 21 TRP N N 15 126.799 0.1 A 21 TRP NE1 N 15 127.319 0.1 A 22 ASP H H 1 8.034 0.02 A 22 ASP HA H 1 4.417 0.02 A 22 ASP HBx H 1 2.409 0.02 A 22 ASP HBy H 1 2.581 0.02 A 22 ASP C C 13 175.814 0.4 A 22 ASP CA C 13 52.02 0.4 A 22 ASP CB C 13 41.748 0.4 A 22 ASP N N 15 129.313 0.1 A 23 SER H H 1 8.331 0.02 A 23 SER HA H 1 3.719 0.02 A 23 SER HBx H 1 3.849 0.02 A 23 SER HBy H 1 3.994 0.02 A 23 SER C C 13 175.145 0.4 A 23 SER CA C 13 59.732 0.4 A 23 SER CB C 13 63.304 0.4 A 23 SER N N 15 119.796 0.1 A 24 ILE H H 1 8.044 0.02 A 24 ILE HA H 1 3.849 0.02 A 24 ILE HB H 1 2.053 0.02 A 24 ILE HD1% H 1 0.788 0.02 A 24 ILE HG1x H 1 1.15 0.02 A 24 ILE HG1y H 1 1.472 0.02 A 24 ILE HG2% H 1 0.808 0.02 A 24 ILE C C 13 177.615 0.4 A 24 ILE CA C 13 63.257 0.4 A 24 ILE CB C 13 36.4 0.4 A 24 ILE CD1 C 13 11.445 0.4 A 24 ILE CG1 C 13 27.943 0.4 A 24 ILE CG2 C 13 16.816 0.4 A 24 ILE N N 15 124.085 0.1 A 25 ASP H H 1 7.641 0.02 A 25 ASP HA H 1 4.492 0.02 A 25 ASP HBx H 1 2.106 0.02 A 25 ASP HBy H 1 2.409 0.02 A 25 ASP C C 13 175.486 0.4 A 25 ASP CA C 13 54.313 0.4 A 25 ASP CB C 13 40.789 0.4 A 25 ASP N N 15 118.371 0.1 A 26 GLN H H 1 7.34 0.02 A 26 GLN HA H 1 2.828 0.02 A 26 GLN HBx H 1 1.974 0.02 A 26 GLN HBy H 1 2.204 0.02 A 26 GLN HE2x H 1 6.901 0.02 A 26 GLN HE2y H 1 7.734 0.02 A 26 GLN HGx H 1 1.993 0.02 A 26 GLN HGy H 1 2.136 0.02 A 26 GLN C C 13 173.882 0.4 A 26 GLN CA C 13 55.956 0.4 A 26 GLN CB C 13 25.07 0.4 A 26 GLN CG C 13 33.833 0.4 A 26 GLN N N 15 116.358 0.1 A 26 GLN NE2 N 15 113.73 0.1 A 27 LYS H H 1 6.283 0.02 A 27 LYS HA H 1 4.395 0.02 A 27 LYS HB2 H 1 1.593 0.02 A 27 LYS HB3 H 1 1.593 0.02 A 27 LYS HD2 H 1 1.539 0.02 A 27 LYS HD3 H 1 1.539 0.02 A 27 LYS HE2 H 1 2.862 0.02 A 27 LYS HE3 H 1 2.862 0.02 A 27 LYS HG2 H 1 0.978 0.02 A 27 LYS HG3 H 1 0.978 0.02 A 27 LYS C C 13 173.51 0.4 A 27 LYS CA C 13 54.164 0.4 A 27 LYS CB C 13 35.825 0.4 A 27 LYS CD C 13 29.245 0.4 A 27 LYS CE C 13 41.944 0.4 A 27 LYS CG C 13 23.56 0.4 A 27 LYS N N 15 114.611 0.1 A 28 TRP H H 1 8.751 0.02 A 28 TRP HA H 1 5.383 0.02 A 28 TRP HB2 H 1 3.108 0.02 A 28 TRP HB3 H 1 3.108 0.02 A 28 TRP HD1 H 1 7.528 0.02 A 28 TRP HE1 H 1 10.1 0.02 A 28 TRP HE3 H 1 7.302 0.02 A 28 TRP HH2 H 1 6.675 0.02 A 28 TRP HZ2 H 1 7.113 0.02 A 28 TRP HZ3 H 1 6.76 0.02 A 28 TRP C C 13 177.411 0.4 A 28 TRP CA C 13 55.957 0.4 A 28 TRP CB C 13 30.752 0.4 A 28 TRP CD1 C 13 128.406 0.4 A 28 TRP CE3 C 13 120.591 0.4 A 28 TRP CH2 C 13 123.874 0.4 A 28 TRP CZ2 C 13 114.862 0.4 A 28 TRP CZ3 C 13 123.615 0.4 A 28 TRP N N 15 121.52 0.1 A 28 TRP NE1 N 15 132.214 0.1 A 29 THR H H 1 9.413 0.02 A 29 THR HA H 1 4.852 0.02 A 29 THR HB H 1 4.23 0.02 A 29 THR HG2% H 1 1.195 0.02 A 29 THR C C 13 173.52 0.4 A 29 THR CA C 13 60.308 0.4 A 29 THR CB C 13 69.736 0.4 A 29 THR CG2 C 13 22.904 0.4 A 29 THR N N 15 117.059 0.1 A 30 ARG H H 1 9.117 0.02 A 30 ARG HA H 1 4.79 0.02 A 30 ARG HBx H 1 1.54 0.02 A 30 ARG HBy H 1 1.73 0.02 A 30 ARG HDx H 1 2.831 0.02 A 30 ARG HDy H 1 2.887 0.02 A 30 ARG HE H 1 7.455 0.02 A 30 ARG HGx H 1 1.164 0.02 A 30 ARG HGy H 1 1.23 0.02 A 30 ARG C C 13 174.447 0.4 A 30 ARG CA C 13 55.949 0.4 A 30 ARG CB C 13 33.388 0.4 A 30 ARG CD C 13 43.276 0.4 A 30 ARG CG C 13 27.7 0.4 A 30 ARG N N 15 126.027 0.1 A 31 HIS H H 1 9.011 0.02 A 31 HIS HA H 1 4.636 0.02 A 31 HIS HBx H 1 2.537 0.02 A 31 HIS HBy H 1 3.216 0.02 A 31 HIS C C 13 173.947 0.4 A 31 HIS CA C 13 55.185 0.4 A 31 HIS CB C 13 33.332 0.4 A 31 HIS N N 15 121.017 0.1 A 32 TYR H H 1 9.361 0.02 A 32 TYR HA H 1 4.745 0.02 A 32 TYR HBx H 1 2.993 0.02 A 32 TYR HBy H 1 3.076 0.02 A 32 TYR HDx H 1 7.092 0.02 A 32 TYR HDy H 1 7.092 0.02 A 32 TYR HEx H 1 6.858 0.02 A 32 TYR HEy H 1 6.858 0.02 A 32 TYR C C 13 176.298 0.4 A 32 TYR CA C 13 59.316 0.4 A 32 TYR CB C 13 39.341 0.4 A 32 TYR CD1 C 13 133.386 0.4 A 32 TYR CD2 C 13 133.386 0.4 A 32 TYR CE1 C 13 118.131 0.4 A 32 TYR CE2 C 13 118.131 0.4 A 32 TYR N N 15 124.44 0.1 A 33 CYS H H 1 8.75 0.02 A 33 CYS HA H 1 5.857 0.02 A 33 CYS HBx H 1 2.619 0.02 A 33 CYS HBy H 1 2.666 0.02 A 33 CYS C C 13 172.735 0.4 A 33 CYS CA C 13 57.108 0.4 A 33 CYS CB C 13 32.779 0.4 A 33 CYS N N 15 127.462 0.1 A 34 ALA H H 1 8.565 0.02 A 34 ALA HA H 1 5.29 0.02 A 34 ALA HB% H 1 1.424 0.02 A 34 ALA C C 13 176.215 0.4 A 34 ALA CA C 13 51.773 0.4 A 34 ALA CB C 13 23.139 0.4 A 34 ALA N N 15 121.115 0.1 A 35 ILE H H 1 8.413 0.02 A 35 ILE HA H 1 5.275 0.02 A 35 ILE HB H 1 1.63 0.02 A 35 ILE HD1% H 1 0.759 0.02 A 35 ILE HG1x H 1 0.879 0.02 A 35 ILE HG1y H 1 1.79 0.02 A 35 ILE HG2% H 1 0.718 0.02 A 35 ILE C C 13 175.768 0.4 A 35 ILE CA C 13 60.105 0.4 A 35 ILE CB C 13 39.737 0.4 A 35 ILE CD1 C 13 14.431 0.4 A 35 ILE CG1 C 13 28.601 0.4 A 35 ILE CG2 C 13 17.298 0.4 A 35 ILE N N 15 120.176 0.1 A 36 ALA H H 1 8.666 0.02 A 36 ALA HA H 1 4.581 0.02 A 36 ALA HB% H 1 1.378 0.02 A 36 ALA CA C 13 52.028 0.4 A 36 ALA CB C 13 21.365 0.4 A 36 ALA N N 15 129.732 0.1 A 37 ASP H H 1 9.379 0.02 A 37 ASP HA H 1 4.228 0.02 A 37 ASP HBx H 1 2.633 0.02 A 37 ASP HBy H 1 2.921 0.02 A 37 ASP C C 13 174.579 0.4 A 37 ASP CA C 13 55.822 0.4 A 37 ASP CB C 13 39.784 0.4 A 37 ASP N N 15 124.926 0.1 A 38 ALA H H 1 8.71 0.02 A 38 ALA HA H 1 3.911 0.02 A 38 ALA HB% H 1 1.506 0.02 A 38 ALA C C 13 174.866 0.4 A 38 ALA CA C 13 53.04 0.4 A 38 ALA CB C 13 17.654 0.4 A 38 ALA N N 15 115.547 0.1 A 39 LYS H H 1 8.054 0.02 A 39 LYS HA H 1 5.247 0.02 A 39 LYS HBx H 1 1.651 0.02 A 39 LYS HBy H 1 2.038 0.02 A 39 LYS HDx H 1 1.593 0.02 A 39 LYS HDy H 1 1.736 0.02 A 39 LYS HE2 H 1 3.03 0.02 A 39 LYS HE3 H 1 3.03 0.02 A 39 LYS HGx H 1 1.443 0.02 A 39 LYS HGy H 1 1.624 0.02 A 39 LYS C C 13 175.201 0.4 A 39 LYS CA C 13 54.583 0.4 A 39 LYS CB C 13 34.824 0.4 A 39 LYS CD C 13 29.022 0.4 A 39 LYS CE C 13 42.364 0.4 A 39 LYS CG C 13 25.251 0.4 A 39 LYS N N 15 117.589 0.1 A 40 LEU H H 1 9.09 0.02 A 40 LEU HA H 1 5.353 0.02 A 40 LEU HBx H 1 1.425 0.02 A 40 LEU HBy H 1 1.897 0.02 A 40 LEU HDx% H 1 0.742 0.02 A 40 LEU HDy% H 1 0.79 0.02 A 40 LEU HG H 1 1.661 0.02 A 40 LEU C C 13 175.382 0.4 A 40 LEU CA C 13 53.987 0.4 A 40 LEU CB C 13 45.718 0.4 A 40 LEU CDy C 13 26.683 0.4 A 40 LEU CDx C 13 25.481 0.4 A 40 LEU CG C 13 29.036 0.4 A 40 LEU N N 15 126.3 0.1 A 41 SER H H 1 9.539 0.02 A 41 SER HA H 1 5.493 0.02 A 41 SER HBx H 1 3.889 0.02 A 41 SER HBy H 1 3.986 0.02 A 41 SER C C 13 173.435 0.4 A 41 SER CA C 13 56.816 0.4 A 41 SER CB C 13 65.706 0.4 A 41 SER N N 15 123.399 0.1 A 42 PHE H H 1 8.344 0.02 A 42 PHE HA H 1 5.888 0.02 A 42 PHE HBx H 1 2.884 0.02 A 42 PHE HBy H 1 3.017 0.02 A 42 PHE HD1 H 1 6.919 0.02 A 42 PHE HD2 H 1 6.919 0.02 A 42 PHE HE1 H 1 6.994 0.02 A 42 PHE HE2 H 1 6.994 0.02 A 42 PHE HZ H 1 7.178 0.02 A 42 PHE C C 13 175.198 0.4 A 42 PHE CA C 13 54.335 0.4 A 42 PHE CB C 13 43.36 0.4 A 42 PHE CDx C 13 133.586 0.4 A 42 PHE CDy C 13 133.586 0.4 A 42 PHE CEx C 13 130.27 0.4 A 42 PHE CEy C 13 130.27 0.4 A 42 PHE CZ C 13 129.517 0.4 A 42 PHE N N 15 117.935 0.1 A 43 SER H H 1 8.843 0.02 A 43 SER HA H 1 4.918 0.02 A 43 SER HBx H 1 4.316 0.02 A 43 SER HBy H 1 4.649 0.02 A 43 SER C C 13 175.04 0.4 A 43 SER CA C 13 58.215 0.4 A 43 SER CB C 13 66.789 0.4 A 43 SER N N 15 117.28 0.1 A 44 ASP H H 1 8.818 0.02 A 44 ASP HA H 1 4.909 0.02 A 44 ASP HBx H 1 2.686 0.02 A 44 ASP HBy H 1 2.868 0.02 A 44 ASP C C 13 175.955 0.4 A 44 ASP CA C 13 54.815 0.4 A 44 ASP CB C 13 41.729 0.4 A 44 ASP N N 15 120.846 0.1 A 45 ASP H H 1 8.726 0.02 A 45 ASP HA H 1 4.273 0.02 A 45 ASP HBx H 1 2.593 0.02 A 45 ASP HBy H 1 2.69 0.02 A 45 ASP C C 13 177.889 0.4 A 45 ASP CA C 13 54.145 0.4 A 45 ASP CB C 13 41.329 0.4 A 45 ASP N N 15 120.848 0.1 A 46 ILE H H 1 8.369 0.02 A 46 ILE HA H 1 4.079 0.02 A 46 ILE HB H 1 1.8 0.02 A 46 ILE HD1% H 1 0.712 0.02 A 46 ILE HG1x H 1 0.958 0.02 A 46 ILE HG1y H 1 1.3 0.02 A 46 ILE HG2% H 1 0.912 0.02 A 46 ILE C C 13 177.339 0.4 A 46 ILE CA C 13 62.357 0.4 A 46 ILE CB C 13 38.708 0.4 A 46 ILE CD1 C 13 13.701 0.4 A 46 ILE CG1 C 13 27.181 0.4 A 46 ILE CG2 C 13 18.162 0.4 A 46 ILE N N 15 123.832 0.1 A 47 GLU H H 1 8.577 0.02 A 47 GLU HA H 1 4.258 0.02 A 47 GLU HBx H 1 2.069 0.02 A 47 GLU HBy H 1 2.133 0.02 A 47 GLU HGx H 1 2.23 0.02 A 47 GLU HGy H 1 2.31 0.02 A 47 GLU C C 13 177.164 0.4 A 47 GLU CA C 13 57.249 0.4 A 47 GLU CB C 13 29.9 0.4 A 47 GLU CG C 13 37.082 0.4 A 47 GLU N N 15 122.294 0.1 A 48 GLN H H 1 7.894 0.02 A 48 GLN HA H 1 4.365 0.02 A 48 GLN HBx H 1 2.004 0.02 A 48 GLN HBy H 1 2.189 0.02 A 48 GLN HE2x H 1 6.832 0.02 A 48 GLN HE2y H 1 7.647 0.02 A 48 GLN HG2 H 1 2.347 0.02 A 48 GLN HG3 H 1 2.347 0.02 A 48 GLN C C 13 176.278 0.4 A 48 GLN CA C 13 55.83 0.4 A 48 GLN CB C 13 29.383 0.4 A 48 GLN CG C 13 33.697 0.4 A 48 GLN N N 15 118.968 0.1 A 48 GLN NE2 N 15 112.787 0.1 A 49 THR H H 1 8.048 0.02 A 49 THR HA H 1 4.331 0.02 A 49 THR HB H 1 4.227 0.02 A 49 THR HG2% H 1 1.22 0.02 A 49 THR C C 13 174.784 0.4 A 49 THR CA C 13 62.135 0.4 A 49 THR CB C 13 69.736 0.4 A 49 THR CG2 C 13 21.675 0.4 A 49 THR N N 15 114.601 0.1 A 50 MET H H 1 8.409 0.02 A 50 MET HA H 1 4.51 0.02 A 50 MET HBx H 1 2.057 0.02 A 50 MET HBy H 1 2.141 0.02 A 50 MET HE% H 1 2.074 0.02 A 50 MET HGx H 1 2.552 0.02 A 50 MET HGy H 1 2.623 0.02 A 50 MET C C 13 176.451 0.4 A 50 MET CA C 13 55.601 0.4 A 50 MET CB C 13 32.85 0.4 A 50 MET CE C 13 17.08 0.4 A 50 MET CG C 13 32.146 0.4 A 50 MET N N 15 122.66 0.1 A 51 GLU H H 1 8.418 0.02 A 51 GLU HA H 1 4.272 0.02 A 51 GLU HBx H 1 1.947 0.02 A 51 GLU HBy H 1 2.093 0.02 A 51 GLU HGx H 1 2.247 0.02 A 51 GLU HGy H 1 2.274 0.02 A 51 GLU C C 13 176.777 0.4 A 51 GLU CA C 13 56.68 0.4 A 51 GLU CB C 13 30.262 0.4 A 51 GLU CG C 13 36.369 0.4 A 51 GLU N N 15 121.65 0.1 A 52 GLU H H 1 8.325 0.02 A 52 GLU HA H 1 4.174 0.02 A 52 GLU HB2 H 1 1.912 0.02 A 52 GLU HB3 H 1 2.032 0.02 A 52 GLU HG2 H 1 2.217 0.02 A 52 GLU HG3 H 1 2.217 0.02 A 52 GLU C C 13 176.178 0.4 A 52 GLU N N 15 120.869 0.1 A 53 ASP H H 1 8.32 0.02 A 53 ASP HA H 1 4.527 0.02 A 53 ASP HBx H 1 2.609 0.02 A 53 ASP HBy H 1 2.683 0.02 A 53 ASP C C 13 175.65 0.4 A 53 ASP CA C 13 54.322 0.4 A 53 ASP CB C 13 41.04 0.4 A 53 ASP N N 15 119.656 0.1 A 54 ASN H H 1 8.134 0.02 A 54 ASN HA H 1 4.97 0.02 A 54 ASN HBx H 1 2.653 0.02 A 54 ASN HBy H 1 2.842 0.02 A 54 ASN HD2x H 1 6.88 0.02 A 54 ASN HD2y H 1 7.656 0.02 A 54 ASN CA C 13 51.12 0.4 A 54 ASN CB C 13 39.125 0.4 A 54 ASN N N 15 118.436 0.1 A 54 ASN ND2 N 15 112.959 0.1 A 55 PRO HA H 1 4.394 0.02 A 55 PRO HBx H 1 1.904 0.02 A 55 PRO HBy H 1 2.275 0.02 A 55 PRO HD2 H 1 3.715 0.02 A 55 PRO HD3 H 1 3.715 0.02 A 55 PRO HGx H 1 1.943 0.02 A 55 PRO HGy H 1 2.006 0.02 A 55 PRO C C 13 177.514 0.4 A 55 PRO CA C 13 63.91 0.4 A 55 PRO CB C 13 32.077 0.4 A 55 PRO CD C 13 50.581 0.4 A 55 PRO CG C 13 27.4 0.4 A 56 LEU H H 1 8.181 0.02 A 56 LEU HA H 1 4.268 0.02 A 56 LEU HBx H 1 1.572 0.02 A 56 LEU HBy H 1 1.681 0.02 A 56 LEU HDx% H 1 0.86 0.02 A 56 LEU HDy% H 1 0.921 0.02 A 56 LEU HG H 1 1.621 0.02 A 56 LEU C C 13 178.176 0.4 A 56 LEU CA C 13 55.542 0.4 A 56 LEU CB C 13 41.783 0.4 A 56 LEU CDx C 13 23.475 0.4 A 56 LEU CDy C 13 25.272 0.4 A 56 LEU CG C 13 27.243 0.4 A 56 LEU N N 15 120.122 0.1 A 57 GLY H H 1 8.071 0.02 A 57 GLY HA2 H 1 3.946 0.02 A 57 GLY HA3 H 1 3.946 0.02 A 57 GLY C C 13 174.306 0.4 A 57 GLY CA C 13 45.46 0.4 A 57 GLY N N 15 108.437 0.1 A 58 SER H H 1 8.17 0.02 A 58 SER HA H 1 4.46 0.02 A 58 SER HBx H 1 3.833 0.02 A 58 SER HBy H 1 3.874 0.02 A 58 SER C C 13 174.785 0.4 A 58 SER CA C 13 58.319 0.4 A 58 SER CB C 13 63.792 0.4 A 58 SER N N 15 115.478 0.1 A 59 LEU H H 1 8.278 0.02 A 59 LEU HA H 1 4.384 0.02 A 59 LEU HBx H 1 1.632 0.02 A 59 LEU HBy H 1 1.715 0.02 A 59 LEU HDx% H 1 0.864 0.02 A 59 LEU HDy% H 1 0.915 0.02 A 59 LEU HG H 1 1.666 0.02 A 59 LEU CA C 13 55.219 0.4 A 59 LEU CB C 13 42.377 0.4 A 59 LEU CDx C 13 23.663 0.4 A 59 LEU CDy C 13 25.092 0.4 A 59 LEU CG C 13 27.101 0.4 A 59 LEU N N 15 124.033 0.1 A 60 CYS H H 1 8.331 0.02 A 60 CYS HA H 1 4.398 0.02 A 60 CYS HBx H 1 2.797 0.02 A 60 CYS HBy H 1 2.825 0.02 A 60 CYS C C 13 174.142 0.4 A 60 CYS CA C 13 58.505 0.4 A 60 CYS CB C 13 27.338 0.4 A 60 CYS N N 15 120.39 0.1 A 61 ARG H H 1 8.632 0.02 A 61 ARG HA H 1 4.337 0.02 A 61 ARG HBx H 1 1.767 0.02 A 61 ARG HBy H 1 1.795 0.02 A 61 ARG HDx H 1 3.279 0.02 A 61 ARG HDy H 1 3.308 0.02 A 61 ARG HG2 H 1 1.675 0.02 A 61 ARG HG3 H 1 1.675 0.02 A 61 ARG C C 13 176.096 0.4 A 61 ARG CA C 13 56.003 0.4 A 61 ARG CB C 13 30.757 0.4 A 61 ARG CD C 13 42.974 0.4 A 61 ARG CG C 13 26.975 0.4 A 61 ARG N N 15 125.869 0.1 A 62 GLY H H 1 7.263 0.02 A 62 GLY HA2 H 1 3.008 0.02 A 62 GLY HA3 H 1 3.875 0.02 A 62 GLY C C 13 170.609 0.4 A 62 GLY CA C 13 44.808 0.4 A 62 GLY N N 15 107.908 0.1 A 63 ILE H H 1 7.895 0.02 A 63 ILE HA H 1 4.843 0.02 A 63 ILE HB H 1 1.618 0.02 A 63 ILE HD1% H 1 0.809 0.02 A 63 ILE HG1x H 1 0.956 0.02 A 63 ILE HG1y H 1 1.353 0.02 A 63 ILE HG2% H 1 0.791 0.02 A 63 ILE C C 13 175.45 0.4 A 63 ILE CA C 13 60.322 0.4 A 63 ILE CB C 13 41.957 0.4 A 63 ILE CD1 C 13 13.693 0.4 A 63 ILE CG1 C 13 27.606 0.4 A 63 ILE CG2 C 13 17.993 0.4 A 63 ILE N N 15 117.987 0.1 A 64 LEU H H 1 9.429 0.02 A 64 LEU HA H 1 4.916 0.02 A 64 LEU HBx H 1 1.355 0.02 A 64 LEU HBy H 1 1.969 0.02 A 64 LEU HDx% H 1 0.891 0.02 A 64 LEU HDy% H 1 1.026 0.02 A 64 LEU HG H 1 1.949 0.02 A 64 LEU C C 13 176.136 0.4 A 64 LEU CA C 13 53.059 0.4 A 64 LEU CB C 13 43.788 0.4 A 64 LEU CDy C 13 26.807 0.4 A 64 LEU CDx C 13 23.139 0.4 A 64 LEU CG C 13 27.207 0.4 A 64 LEU N N 15 127.063 0.1 A 65 ASP H H 1 9.241 0.02 A 65 ASP HA H 1 4.818 0.02 A 65 ASP HBx H 1 2.702 0.02 A 65 ASP HBy H 1 3.088 0.02 A 65 ASP C C 13 177.925 0.4 A 65 ASP CA C 13 53.628 0.4 A 65 ASP CB C 13 40.307 0.4 A 65 ASP N N 15 122.728 0.1 A 66 LEU H H 1 8.766 0.02 A 66 LEU HA H 1 4.212 0.02 A 66 LEU HBx H 1 1.413 0.02 A 66 LEU HBy H 1 1.948 0.02 A 66 LEU HDx% H 1 0.792 0.02 A 66 LEU HDy% H 1 0.829 0.02 A 66 LEU HG H 1 1.767 0.02 A 66 LEU C C 13 177.167 0.4 A 66 LEU CA C 13 57.854 0.4 A 66 LEU CB C 13 41.006 0.4 A 66 LEU CDx C 13 22.713 0.4 A 66 LEU CDy C 13 27.219 0.4 A 66 LEU CG C 13 26.823 0.4 A 66 LEU N N 15 126.997 0.1 A 67 ASN H H 1 8.585 0.02 A 67 ASN HA H 1 4.721 0.02 A 67 ASN HBx H 1 2.816 0.02 A 67 ASN HBy H 1 2.975 0.02 A 67 ASN HD2x H 1 6.815 0.02 A 67 ASN HD2y H 1 8.018 0.02 A 67 ASN C C 13 176.583 0.4 A 67 ASN CA C 13 55.648 0.4 A 67 ASN CB C 13 38.464 0.4 A 67 ASN N N 15 113.883 0.1 A 67 ASN ND2 N 15 114.381 0.1 A 68 THR H H 1 8.007 0.02 A 68 THR HA H 1 4.513 0.02 A 68 THR HB H 1 4.35 0.02 A 68 THR HG2% H 1 1.087 0.02 A 68 THR C C 13 172.87 0.4 A 68 THR CA C 13 61.441 0.4 A 68 THR CB C 13 69.432 0.4 A 68 THR CG2 C 13 21.437 0.4 A 68 THR N N 15 108.34 0.1 A 69 TYR H H 1 7.56 0.02 A 69 TYR HA H 1 5.199 0.02 A 69 TYR HBx H 1 2.472 0.02 A 69 TYR HBy H 1 3.066 0.02 A 69 TYR HDx H 1 6.896 0.02 A 69 TYR HDy H 1 6.896 0.02 A 69 TYR HEx H 1 6.718 0.02 A 69 TYR HEy H 1 6.718 0.02 A 69 TYR C C 13 174.283 0.4 A 69 TYR CA C 13 57.848 0.4 A 69 TYR CB C 13 44.393 0.4 A 69 TYR CD1 C 13 134.155 0.4 A 69 TYR CD2 C 13 134.155 0.4 A 69 TYR CE1 C 13 117.918 0.4 A 69 TYR CE2 C 13 117.918 0.4 A 69 TYR N N 15 119.888 0.1 A 70 ASN H H 1 9.116 0.02 A 70 ASN HA H 1 5.162 0.02 A 70 ASN HBx H 1 2.724 0.02 A 70 ASN HBy H 1 2.85 0.02 A 70 ASN HD2x H 1 7.146 0.02 A 70 ASN HD2y H 1 7.976 0.02 A 70 ASN C C 13 174.34 0.4 A 70 ASN CA C 13 52.364 0.4 A 70 ASN CB C 13 42.062 0.4 A 70 ASN N N 15 116.071 0.1 A 70 ASN ND2 N 15 115.866 0.1 A 71 VAL H H 1 8.564 0.02 A 71 VAL HA H 1 5.766 0.02 A 71 VAL HB H 1 1.778 0.02 A 71 VAL HGx% H 1 0.614 0.02 A 71 VAL HGy% H 1 1.035 0.02 A 71 VAL C C 13 173.261 0.4 A 71 VAL CA C 13 59.076 0.4 A 71 VAL CB C 13 34.982 0.4 A 71 VAL CGx C 13 18.197 0.4 A 71 VAL CGy C 13 23.134 0.4 A 71 VAL N N 15 120.784 0.1 A 72 VAL H H 1 9.308 0.02 A 72 VAL HA H 1 4.806 0.02 A 72 VAL HB H 1 2.181 0.02 A 72 VAL HGx% H 1 0.945 0.02 A 72 VAL HGy% H 1 0.992 0.02 A 72 VAL C C 13 175.047 0.4 A 72 VAL CA C 13 60.33 0.4 A 72 VAL CB C 13 36.467 0.4 A 72 VAL CGx C 13 20.257 0.4 A 72 VAL CGy C 13 21.191 0.4 A 72 VAL N N 15 125.272 0.1 A 73 LYS H H 1 8.793 0.02 A 73 LYS HA H 1 4.652 0.02 A 73 LYS HBx H 1 1.293 0.02 A 73 LYS HBy H 1 1.545 0.02 A 73 LYS HDx H 1 1.145 0.02 A 73 LYS HDy H 1 1.322 0.02 A 73 LYS HE2 H 1 2.258 0.02 A 73 LYS HE3 H 1 2.258 0.02 A 73 LYS HG2 H 1 1.019 0.02 A 73 LYS HG3 H 1 1.019 0.02 A 73 LYS C C 13 176.241 0.4 A 73 LYS CA C 13 55.799 0.4 A 73 LYS CB C 13 33.452 0.4 A 73 LYS CD C 13 28.849 0.4 A 73 LYS CE C 13 40.752 0.4 A 73 LYS CG C 13 25.457 0.4 A 73 LYS N N 15 124.197 0.1 A 74 ALA H H 1 8.172 0.02 A 74 ALA HA H 1 4.849 0.02 A 74 ALA HB% H 1 1.22 0.02 A 74 ALA CA C 13 49.54 0.4 A 74 ALA CB C 13 17.685 0.4 A 74 ALA N N 15 128.026 0.1 A 75 PRO HA H 1 4.351 0.02 A 75 PRO HBx H 1 2.033 0.02 A 75 PRO HBy H 1 2.388 0.02 A 75 PRO HDx H 1 3.836 0.02 A 75 PRO HDy H 1 3.915 0.02 A 75 PRO HGx H 1 2.044 0.02 A 75 PRO HGy H 1 2.098 0.02 A 75 PRO CA C 13 65.256 0.4 A 75 PRO CB C 13 32.158 0.4 A 75 PRO CD C 13 51.047 0.4 A 75 PRO CG C 13 27.506 0.4 A 76 GLN H H 1 8.66 0.02 A 76 GLN HA H 1 4.561 0.02 A 76 GLN HBx H 1 1.964 0.02 A 76 GLN HBy H 1 2.276 0.02 A 76 GLN HGx H 1 2.327 0.02 A 76 GLN HGy H 1 2.379 0.02 A 76 GLN C C 13 176.426 0.4 A 76 GLN CA C 13 55.168 0.4 A 76 GLN CB C 13 28.925 0.4 A 76 GLN CG C 13 34.139 0.4 A 76 GLN N N 15 116.11 0.1 A 77 GLY H H 1 7.527 0.02 A 77 GLY HA2 H 1 3.382 0.02 A 77 GLY HA3 H 1 4.505 0.02 A 77 GLY C C 13 172.487 0.4 A 77 GLY CA C 13 44.852 0.4 A 77 GLY N N 15 107.608 0.1 A 78 LYS H H 1 8.123 0.02 A 78 LYS HA H 1 4.191 0.02 A 78 LYS HBx H 1 1.512 0.02 A 78 LYS HBy H 1 1.593 0.02 A 78 LYS HD2 H 1 1.325 0.02 A 78 LYS HD3 H 1 1.325 0.02 A 78 LYS HE2 H 1 2.475 0.02 A 78 LYS HE3 H 1 2.562 0.02 A 78 LYS HGx H 1 1.104 0.02 A 78 LYS HGy H 1 1.144 0.02 A 78 LYS C C 13 175.3 0.4 A 78 LYS CA C 13 56.737 0.4 A 78 LYS CB C 13 35.9 0.4 A 78 LYS CD C 13 28.894 0.4 A 78 LYS CE C 13 41.234 0.4 A 78 LYS CG C 13 24.978 0.4 A 78 LYS N N 15 117.756 0.1 A 79 ASN H H 1 9.105 0.02 A 79 ASN HA H 1 4.099 0.02 A 79 ASN HBx H 1 1.948 0.02 A 79 ASN HBy H 1 2.028 0.02 A 79 ASN HD21 H 1 6.127 0.02 A 79 ASN HD22 H 1 6.127 0.02 A 79 ASN C C 13 175.098 0.4 A 79 ASN CA C 13 54.563 0.4 A 79 ASN CB C 13 37.353 0.4 A 79 ASN N N 15 120.643 0.1 A 79 ASN ND2 N 15 115.93 0.1 A 80 GLN H H 1 8.608 0.02 A 80 GLN HA H 1 3.648 0.02 A 80 GLN HBx H 1 2.321 0.02 A 80 GLN HBy H 1 2.486 0.02 A 80 GLN HG2 H 1 2.279 0.02 A 80 GLN HG3 H 1 2.279 0.02 A 80 GLN C C 13 175.327 0.4 A 80 GLN CA C 13 57.975 0.4 A 80 GLN CB C 13 26.506 0.4 A 80 GLN CG C 13 34.815 0.4 A 80 GLN N N 15 108.385 0.1 A 81 LYS H H 1 7.608 0.02 A 81 LYS HA H 1 4.325 0.02 A 81 LYS HBx H 1 1.143 0.02 A 81 LYS HBy H 1 1.343 0.02 A 81 LYS HDx H 1 0.189 0.02 A 81 LYS HDy H 1 0.835 0.02 A 81 LYS HE2 H 1 0.916 0.02 A 81 LYS HE3 H 1 1.606 0.02 A 81 LYS HGx H 1 -0.517 0.02 A 81 LYS HGy H 1 0.436 0.02 A 81 LYS C C 13 176.242 0.4 A 81 LYS CA C 13 54.186 0.4 A 81 LYS CB C 13 33.385 0.4 A 81 LYS CD C 13 27.488 0.4 A 81 LYS CE C 13 41.375 0.4 A 81 LYS CG C 13 24.163 0.4 A 81 LYS N N 15 119.675 0.1 A 82 SER H H 1 7.692 0.02 A 82 SER HA H 1 3.85 0.02 A 82 SER HBx H 1 2.393 0.02 A 82 SER HBy H 1 2.799 0.02 A 82 SER C C 13 174.045 0.4 A 82 SER CA C 13 60.984 0.4 A 82 SER CB C 13 62.962 0.4 A 82 SER N N 15 117.008 0.1 A 83 PHE H H 1 8.545 0.02 A 83 PHE HA H 1 4.921 0.02 A 83 PHE HBx H 1 2.859 0.02 A 83 PHE HBy H 1 3.413 0.02 A 83 PHE HDx H 1 7.033 0.02 A 83 PHE HDy H 1 7.033 0.02 A 83 PHE HEx H 1 7.358 0.02 A 83 PHE HEy H 1 7.358 0.02 A 83 PHE C C 13 172.686 0.4 A 83 PHE CA C 13 55.383 0.4 A 83 PHE CB C 13 37.774 0.4 A 83 PHE CD1 C 13 131.772 0.4 A 83 PHE CD2 C 13 131.772 0.4 A 83 PHE CE1 C 13 131.77 0.4 A 83 PHE CE2 C 13 131.77 0.4 A 83 PHE N N 15 124.073 0.1 A 84 VAL H H 1 8.42 0.02 A 84 VAL HA H 1 5.348 0.02 A 84 VAL HB H 1 1.666 0.02 A 84 VAL HGx% H 1 0.88 0.02 A 84 VAL HGy% H 1 0.954 0.02 A 84 VAL C C 13 175.816 0.4 A 84 VAL CA C 13 60.177 0.4 A 84 VAL CB C 13 37.646 0.4 A 84 VAL CGy C 13 22.592 0.4 A 84 VAL CGx C 13 20.796 0.4 A 84 VAL N N 15 123.085 0.1 A 85 PHE H H 1 8.812 0.02 A 85 PHE HA H 1 5.51 0.02 A 85 PHE HBx H 1 2.851 0.02 A 85 PHE HBy H 1 3.152 0.02 A 85 PHE HDx H 1 6.914 0.02 A 85 PHE HDy H 1 6.914 0.02 A 85 PHE HEx H 1 7.191 0.02 A 85 PHE HEy H 1 7.191 0.02 A 85 PHE HZ H 1 7.309 0.02 A 85 PHE C C 13 171.61 0.4 A 85 PHE CA C 13 55.36 0.4 A 85 PHE CB C 13 41.424 0.4 A 85 PHE CD1 C 13 131.778 0.4 A 85 PHE CD2 C 13 131.778 0.4 A 85 PHE CE1 C 13 131.807 0.4 A 85 PHE CE2 C 13 131.807 0.4 A 85 PHE CZ C 13 129.993 0.4 A 85 PHE N N 15 122.454 0.1 A 86 ILE H H 1 9.406 0.02 A 86 ILE HA H 1 4.844 0.02 A 86 ILE HB H 1 1.796 0.02 A 86 ILE HD1% H 1 0.78 0.02 A 86 ILE HG1x H 1 0.94 0.02 A 86 ILE HG1y H 1 1.438 0.02 A 86 ILE HG2% H 1 0.879 0.02 A 86 ILE C C 13 175.559 0.4 A 86 ILE CA C 13 60.323 0.4 A 86 ILE CB C 13 42.374 0.4 A 86 ILE CD1 C 13 14.435 0.4 A 86 ILE CG1 C 13 28.158 0.4 A 86 ILE CG2 C 13 17.98 0.4 A 86 ILE N N 15 120.483 0.1 A 87 LEU H H 1 9.45 0.02 A 87 LEU HA H 1 5.238 0.02 A 87 LEU HBx H 1 0.964 0.02 A 87 LEU HBy H 1 1.667 0.02 A 87 LEU HDx% H 1 0.597 0.02 A 87 LEU HDy% H 1 0.795 0.02 A 87 LEU HG H 1 1.765 0.02 A 87 LEU C C 13 175.145 0.4 A 87 LEU CA C 13 52.778 0.4 A 87 LEU CB C 13 40.657 0.4 A 87 LEU CDy C 13 26.855 0.4 A 87 LEU CDx C 13 23.591 0.4 A 87 LEU CG C 13 26.825 0.4 A 87 LEU N N 15 126.149 0.1 A 88 GLU H H 1 9.12 0.02 A 88 GLU HA H 1 4.986 0.02 A 88 GLU HBx H 1 2.012 0.02 A 88 GLU HBy H 1 2.058 0.02 A 88 GLU HGx H 1 2.144 0.02 A 88 GLU HGy H 1 2.344 0.02 A 88 GLU CA C 13 52.677 0.4 A 88 GLU CB C 13 31.511 0.4 A 88 GLU CG C 13 36.719 0.4 A 88 GLU N N 15 126.028 0.1 A 89 PRO HA H 1 4.239 0.02 A 89 PRO HBx H 1 2.088 0.02 A 89 PRO HBy H 1 2.164 0.02 A 89 PRO HD2 H 1 3.963 0.02 A 89 PRO HD3 H 1 3.963 0.02 A 89 PRO HG2 H 1 2.028 0.02 A 89 PRO HG3 H 1 2.028 0.02 A 89 PRO C C 13 177.398 0.4 A 89 PRO CA C 13 63.214 0.4 A 89 PRO CB C 13 32.855 0.4 A 89 PRO CD C 13 51.095 0.4 A 89 PRO CG C 13 27.408 0.4 A 90 LYS H H 1 8.166 0.02 A 90 LYS HA H 1 4.041 0.02 A 90 LYS HBx H 1 1.457 0.02 A 90 LYS HBy H 1 1.851 0.02 A 90 LYS HDx H 1 1.515 0.02 A 90 LYS HDy H 1 1.628 0.02 A 90 LYS HE2 H 1 2.764 0.02 A 90 LYS HE3 H 1 2.853 0.02 A 90 LYS HGx H 1 1.052 0.02 A 90 LYS HGy H 1 1.335 0.02 A 90 LYS C C 13 177.384 0.4 A 90 LYS CA C 13 58.404 0.4 A 90 LYS CB C 13 33.133 0.4 A 90 LYS CD C 13 29.65 0.4 A 90 LYS CE C 13 42.05 0.4 A 90 LYS CG C 13 27.313 0.4 A 90 LYS N N 15 121.35 0.1 A 91 GLN H H 1 8.252 0.02 A 91 GLN HA H 1 4.423 0.02 A 91 GLN HBx H 1 1.936 0.02 A 91 GLN HBy H 1 2.02 0.02 A 91 GLN HE2x H 1 6.822 0.02 A 91 GLN HE2y H 1 7.705 0.02 A 91 GLN HGx H 1 2.22 0.02 A 91 GLN HGy H 1 2.277 0.02 A 91 GLN C C 13 175.039 0.4 A 91 GLN CA C 13 54.303 0.4 A 91 GLN CB C 13 29.208 0.4 A 91 GLN CG C 13 33.88 0.4 A 91 GLN N N 15 118.759 0.1 A 91 GLN NE2 N 15 112.904 0.1 A 92 GLN H H 1 8.46 0.02 A 92 GLN HA H 1 4.057 0.02 A 92 GLN HB2 H 1 2.034 0.02 A 92 GLN HB3 H 1 2.034 0.02 A 92 GLN HG2 H 1 2.416 0.02 A 92 GLN HG3 H 1 2.416 0.02 A 92 GLN C C 13 177.08 0.4 A 92 GLN CA C 13 57.446 0.4 A 92 GLN CB C 13 28.472 0.4 A 92 GLN CG C 13 33.767 0.4 A 92 GLN N N 15 124.928 0.1 A 93 GLY H H 1 8.87 0.02 A 93 GLY HA2 H 1 3.639 0.02 A 93 GLY HA3 H 1 4.338 0.02 A 93 GLY C C 13 174.298 0.4 A 93 GLY CA C 13 45.336 0.4 A 93 GLY N N 15 113.393 0.1 A 94 ASP H H 1 7.546 0.02 A 94 ASP HA H 1 5.056 0.02 A 94 ASP HBx H 1 2.651 0.02 A 94 ASP HBy H 1 2.736 0.02 A 94 ASP CA C 13 52.662 0.4 A 94 ASP CB C 13 40.179 0.4 A 94 ASP N N 15 123.111 0.1 A 95 PRO HA H 1 4.933 0.02 A 95 PRO HBx H 1 2.021 0.02 A 95 PRO HBy H 1 2.296 0.02 A 95 PRO HDx H 1 3.73 0.02 A 95 PRO HDy H 1 3.849 0.02 A 95 PRO HGx H 1 2.023 0.02 A 95 PRO HGy H 1 2.127 0.02 A 95 PRO CA C 13 61.243 0.4 A 95 PRO CB C 13 31.234 0.4 A 95 PRO CD C 13 50.266 0.4 A 95 PRO CG C 13 27.157 0.4 A 96 PRO HA H 1 5.19 0.02 A 96 PRO HBx H 1 1.814 0.02 A 96 PRO HBy H 1 2.361 0.02 A 96 PRO HDx H 1 3.722 0.02 A 96 PRO HDy H 1 3.945 0.02 A 96 PRO HGx H 1 2.026 0.02 A 96 PRO HGy H 1 2.06 0.02 A 96 PRO C C 13 176.664 0.4 A 96 PRO CA C 13 62.399 0.4 A 96 PRO CB C 13 32.85 0.4 A 96 PRO CD C 13 50.271 0.4 A 96 PRO CG C 13 27.358 0.4 A 97 VAL H H 1 8.448 0.02 A 97 VAL HA H 1 4.145 0.02 A 97 VAL HB H 1 1.686 0.02 A 97 VAL HGx% H 1 0.289 0.02 A 97 VAL HGy% H 1 0.825 0.02 A 97 VAL C C 13 174.02 0.4 A 97 VAL CA C 13 61.71 0.4 A 97 VAL CB C 13 33.977 0.4 A 97 VAL CGy C 13 22.926 0.4 A 97 VAL CGx C 13 20.375 0.4 A 97 VAL N N 15 121.904 0.1 A 98 GLU H H 1 8.599 0.02 A 98 GLU HA H 1 4.778 0.02 A 98 GLU HBx H 1 1.64 0.02 A 98 GLU HBy H 1 1.789 0.02 A 98 GLU HGx H 1 1.95 0.02 A 98 GLU HGy H 1 2.026 0.02 A 98 GLU C C 13 173.807 0.4 A 98 GLU CA C 13 55.674 0.4 A 98 GLU CB C 13 30.827 0.4 A 98 GLU CG C 13 36.473 0.4 A 98 GLU N N 15 126.577 0.1 A 99 PHE H H 1 8.701 0.02 A 99 PHE HA H 1 5.773 0.02 A 99 PHE HBx H 1 0.855 0.02 A 99 PHE HBy H 1 2.15 0.02 A 99 PHE HDx H 1 6.702 0.02 A 99 PHE HDy H 1 6.702 0.02 A 99 PHE HEx H 1 6.728 0.02 A 99 PHE HEy H 1 6.728 0.02 A 99 PHE HZ H 1 6.5 0.02 A 99 PHE C C 13 174.648 0.4 A 99 PHE CA C 13 55.799 0.4 A 99 PHE CB C 13 44.025 0.4 A 99 PHE CD1 C 13 133.074 0.4 A 99 PHE CD2 C 13 133.074 0.4 A 99 PHE CE1 C 13 129.963 0.4 A 99 PHE CE2 C 13 129.963 0.4 A 99 PHE CZ C 13 128.663 0.4 A 99 PHE N N 15 120.755 0.1 A 100 ALA H H 1 8.737 0.02 A 100 ALA HA H 1 5.669 0.02 A 100 ALA HB% H 1 0.519 0.02 A 100 ALA C C 13 176.491 0.4 A 100 ALA CA C 13 49.85 0.4 A 100 ALA CB C 13 23.399 0.4 A 100 ALA N N 15 118.211 0.1 A 101 THR H H 1 8.272 0.02 A 101 THR HA H 1 5.232 0.02 A 101 THR HB H 1 4.82 0.02 A 101 THR HG2% H 1 1.075 0.02 A 101 THR C C 13 174.787 0.4 A 101 THR CA C 13 59.068 0.4 A 101 THR CB C 13 70.089 0.4 A 101 THR CG2 C 13 21.432 0.4 A 101 THR N N 15 108.062 0.1 A 102 ASP H H 1 8.625 0.02 A 102 ASP HA H 1 5.009 0.02 A 102 ASP HBx H 1 2.863 0.02 A 102 ASP HBy H 1 3.003 0.02 A 102 ASP C C 13 177.73 0.4 A 102 ASP CA C 13 56.976 0.4 A 102 ASP CB C 13 42.543 0.4 A 102 ASP N N 15 118.482 0.1 A 103 ARG H H 1 8.208 0.02 A 103 ARG HA H 1 4.772 0.02 A 103 ARG HBx H 1 1.712 0.02 A 103 ARG HBy H 1 2.191 0.02 A 103 ARG HD2 H 1 3.307 0.02 A 103 ARG HD3 H 1 3.307 0.02 A 103 ARG HGx H 1 1.62 0.02 A 103 ARG HGy H 1 1.709 0.02 A 103 ARG C C 13 178 0.4 A 103 ARG CA C 13 54.079 0.4 A 103 ARG CB C 13 33.914 0.4 A 103 ARG CD C 13 43.267 0.4 A 103 ARG CG C 13 27.444 0.4 A 103 ARG N N 15 116.043 0.1 A 104 VAL H H 1 8.516 0.02 A 104 VAL HA H 1 2.857 0.02 A 104 VAL HB H 1 1.256 0.02 A 104 VAL HGx% H 1 0.712 0.02 A 104 VAL HGy% H 1 0.702 0.02 A 104 VAL C C 13 176.158 0.4 A 104 VAL CA C 13 64.625 0.4 A 104 VAL CB C 13 30.883 0.4 A 104 VAL CGx C 13 19.159 0.4 A 104 VAL CGy C 13 22.518 0.4 A 104 VAL N N 15 128.496 0.1 A 105 GLU H H 1 9.414 0.02 A 105 GLU HA H 1 3.989 0.02 A 105 GLU HBx H 1 1.959 0.02 A 105 GLU HBy H 1 2.02 0.02 A 105 GLU HGx H 1 2.253 0.02 A 105 GLU HGy H 1 2.49 0.02 A 105 GLU C C 13 179.982 0.4 A 105 GLU CA C 13 60.599 0.4 A 105 GLU CB C 13 27.973 0.4 A 105 GLU CG C 13 36.964 0.4 A 105 GLU N N 15 121.934 0.1 A 106 GLU H H 1 6.769 0.02 A 106 GLU HA H 1 4.37 0.02 A 106 GLU HBx H 1 2.359 0.02 A 106 GLU HBy H 1 2.521 0.02 A 106 GLU HGx H 1 2.369 0.02 A 106 GLU HGy H 1 2.597 0.02 A 106 GLU C C 13 178.312 0.4 A 106 GLU CA C 13 58.503 0.4 A 106 GLU CB C 13 30.657 0.4 A 106 GLU CG C 13 37.59 0.4 A 106 GLU N N 15 116.721 0.1 A 107 LEU H H 1 7.161 0.02 A 107 LEU HA H 1 4.04 0.02 A 107 LEU HBx H 1 1.753 0.02 A 107 LEU HBy H 1 2.111 0.02 A 107 LEU HDx% H 1 0.962 0.02 A 107 LEU HDy% H 1 1.028 0.02 A 107 LEU HG H 1 1.472 0.02 A 107 LEU C C 13 177.985 0.4 A 107 LEU CA C 13 58.93 0.4 A 107 LEU CB C 13 40.058 0.4 A 107 LEU CDy C 13 26.081 0.4 A 107 LEU CDx C 13 25.102 0.4 A 107 LEU CG C 13 27.834 0.4 A 107 LEU N N 15 122.171 0.1 A 108 PHE H H 1 7.986 0.02 A 108 PHE HA H 1 4.199 0.02 A 108 PHE HBx H 1 3.146 0.02 A 108 PHE HBy H 1 3.215 0.02 A 108 PHE HDx H 1 7.246 0.02 A 108 PHE HDy H 1 7.246 0.02 A 108 PHE HEx H 1 7.264 0.02 A 108 PHE HEy H 1 7.264 0.02 A 108 PHE C C 13 178.069 0.4 A 108 PHE CA C 13 61.167 0.4 A 108 PHE CB C 13 38.208 0.4 A 108 PHE CD1 C 13 131.254 0.4 A 108 PHE CD2 C 13 131.254 0.4 A 108 PHE CE1 C 13 130.217 0.4 A 108 PHE CE2 C 13 130.217 0.4 A 108 PHE N N 15 116.696 0.1 A 109 GLU H H 1 7.719 0.02 A 109 GLU HA H 1 3.951 0.02 A 109 GLU HBx H 1 2.016 0.02 A 109 GLU HBy H 1 2.138 0.02 A 109 GLU HGx H 1 2.258 0.02 A 109 GLU HGy H 1 2.426 0.02 A 109 GLU C C 13 179.858 0.4 A 109 GLU CA C 13 59.664 0.4 A 109 GLU CB C 13 29.923 0.4 A 109 GLU CG C 13 36.394 0.4 A 109 GLU N N 15 119.214 0.1 A 110 TRP H H 1 8.445 0.02 A 110 TRP HA H 1 3.634 0.02 A 110 TRP HBx H 1 2.555 0.02 A 110 TRP HBy H 1 2.866 0.02 A 110 TRP HD1 H 1 7.519 0.02 A 110 TRP HE1 H 1 10.988 0.02 A 110 TRP HE3 H 1 7.128 0.02 A 110 TRP HH2 H 1 6.589 0.02 A 110 TRP HZ2 H 1 6.859 0.02 A 110 TRP HZ3 H 1 6.587 0.02 A 110 TRP C C 13 177.691 0.4 A 110 TRP CA C 13 62.078 0.4 A 110 TRP CB C 13 29.275 0.4 A 110 TRP CD1 C 13 128.409 0.4 A 110 TRP CE3 C 13 119.7 0.4 A 110 TRP CH2 C 13 121.583 0.4 A 110 TRP CZ2 C 13 114.165 0.4 A 110 TRP CZ3 C 13 123.731 0.4 A 110 TRP N N 15 120.045 0.1 A 110 TRP NE1 N 15 131.677 0.1 A 111 PHE H H 1 8.668 0.02 A 111 PHE HA H 1 3.436 0.02 A 111 PHE HBx H 1 2.76 0.02 A 111 PHE HBy H 1 3.025 0.02 A 111 PHE HDx H 1 6.924 0.02 A 111 PHE HDy H 1 6.924 0.02 A 111 PHE HEx H 1 6.499 0.02 A 111 PHE HEy H 1 6.499 0.02 A 111 PHE HZ H 1 6.058 0.02 A 111 PHE C C 13 176.547 0.4 A 111 PHE CA C 13 62.182 0.4 A 111 PHE CB C 13 39.904 0.4 A 111 PHE CD1 C 13 131.782 0.4 A 111 PHE CD2 C 13 131.782 0.4 A 111 PHE CE1 C 13 131.131 0.4 A 111 PHE CE2 C 13 131.131 0.4 A 111 PHE CZ C 13 129.533 0.4 A 111 PHE N N 15 117.907 0.1 A 112 GLN H H 1 8.254 0.02 A 112 GLN HA H 1 3.685 0.02 A 112 GLN HBx H 1 1.955 0.02 A 112 GLN HBy H 1 2.053 0.02 A 112 GLN HE2x H 1 6.753 0.02 A 112 GLN HE2y H 1 7.495 0.02 A 112 GLN HG2 H 1 2.26 0.02 A 112 GLN HG3 H 1 2.26 0.02 A 112 GLN C C 13 178.503 0.4 A 112 GLN CA C 13 58.624 0.4 A 112 GLN CB C 13 27.98 0.4 A 112 GLN CG C 13 33.749 0.4 A 112 GLN N N 15 116.394 0.1 A 112 GLN NE2 N 15 111.618 0.1 A 113 SER H H 1 7.741 0.02 A 113 SER HA H 1 4.036 0.02 A 113 SER HBx H 1 3.567 0.02 A 113 SER HBy H 1 3.729 0.02 A 113 SER C C 13 176.428 0.4 A 113 SER CA C 13 62.062 0.4 A 113 SER CB C 13 62.655 0.4 A 113 SER N N 15 114.734 0.1 A 114 ILE H H 1 7.915 0.02 A 114 ILE HA H 1 3.559 0.02 A 114 ILE HB H 1 1.461 0.02 A 114 ILE HD1% H 1 0.621 0.02 A 114 ILE HG1x H 1 0.707 0.02 A 114 ILE HG1y H 1 1.95 0.02 A 114 ILE HG2% H 1 0.778 0.02 A 114 ILE C C 13 178.594 0.4 A 114 ILE CA C 13 65.364 0.4 A 114 ILE CB C 13 38.395 0.4 A 114 ILE CD1 C 13 15.053 0.4 A 114 ILE CG1 C 13 30.47 0.4 A 114 ILE CG2 C 13 18.751 0.4 A 114 ILE N N 15 119.893 0.1 A 115 ARG H H 1 8.581 0.02 A 115 ARG HA H 1 3.881 0.02 A 115 ARG HBx H 1 1.2 0.02 A 115 ARG HBy H 1 1.424 0.02 A 115 ARG HDx H 1 2.67 0.02 A 115 ARG HDy H 1 2.724 0.02 A 115 ARG HG2 H 1 1.144 0.02 A 115 ARG HG3 H 1 1.144 0.02 A 115 ARG C C 13 177.921 0.4 A 115 ARG CA C 13 58.689 0.4 A 115 ARG CB C 13 29.134 0.4 A 115 ARG CD C 13 43.174 0.4 A 115 ARG CG C 13 26.812 0.4 A 115 ARG N N 15 123.09 0.1 A 116 GLU H H 1 7.653 0.02 A 116 GLU HA H 1 3.959 0.02 A 116 GLU HBx H 1 2.007 0.02 A 116 GLU HBy H 1 2.054 0.02 A 116 GLU HGx H 1 2.262 0.02 A 116 GLU HGy H 1 2.414 0.02 A 116 GLU C C 13 178.178 0.4 A 116 GLU CA C 13 58.767 0.4 A 116 GLU CB C 13 29.501 0.4 A 116 GLU CG C 13 36.504 0.4 A 116 GLU N N 15 116.356 0.1 A 117 ILE H H 1 7.334 0.02 A 117 ILE HA H 1 3.909 0.02 A 117 ILE HB H 1 1.975 0.02 A 117 ILE HD1% H 1 0.846 0.02 A 117 ILE HG1x H 1 1.195 0.02 A 117 ILE HG1y H 1 1.702 0.02 A 117 ILE HG2% H 1 0.876 0.02 A 117 ILE C C 13 177.733 0.4 A 117 ILE CA C 13 63.443 0.4 A 117 ILE CB C 13 39.059 0.4 A 117 ILE CD1 C 13 14.866 0.4 A 117 ILE CG1 C 13 28.815 0.4 A 117 ILE CG2 C 13 17.981 0.4 A 117 ILE N N 15 117.514 0.1 A 118 THR H H 1 8.075 0.02 A 118 THR HA H 1 4.367 0.02 A 118 THR HB H 1 4.621 0.02 A 118 THR HG2% H 1 1.293 0.02 A 118 THR C C 13 176.05 0.4 A 118 THR CA C 13 63.494 0.4 A 118 THR CB C 13 70.326 0.4 A 118 THR CG2 C 13 22.583 0.4 A 118 THR N N 15 109.879 0.1 A 119 TRP H H 1 8.283 0.02 A 119 TRP HA H 1 4.792 0.02 A 119 TRP HBx H 1 3.248 0.02 A 119 TRP HBy H 1 3.373 0.02 A 119 TRP HD1 H 1 7.223 0.02 A 119 TRP HE1 H 1 10.049 0.02 A 119 TRP HE3 H 1 7.61 0.02 A 119 TRP HH2 H 1 7.132 0.02 A 119 TRP HZ2 H 1 7.487 0.02 A 119 TRP HZ3 H 1 7.232 0.02 A 119 TRP C C 13 175.855 0.4 A 119 TRP CA C 13 57.464 0.4 A 119 TRP CB C 13 29.488 0.4 A 119 TRP CD1 C 13 126.617 0.4 A 119 TRP CE3 C 13 121.258 0.4 A 119 TRP CH2 C 13 122.039 0.4 A 119 TRP CZ2 C 13 114.66 0.4 A 119 TRP CZ3 C 13 124.744 0.4 A 119 TRP N N 15 124.034 0.1 A 119 TRP NE1 N 15 128.842 0.1 A 120 LYS H H 1 7.723 0.02 A 120 LYS HA H 1 4.198 0.02 A 120 LYS HBx H 1 1.674 0.02 A 120 LYS HBy H 1 1.751 0.02 A 120 LYS HD2 H 1 1.657 0.02 A 120 LYS HD3 H 1 1.657 0.02 A 120 LYS HE2 H 1 2.976 0.02 A 120 LYS HE3 H 1 2.976 0.02 A 120 LYS HGx H 1 1.281 0.02 A 120 LYS HGy H 1 1.332 0.02 A 120 LYS C C 13 176.162 0.4 A 120 LYS CA C 13 56.049 0.4 A 120 LYS CB C 13 32.924 0.4 A 120 LYS CD C 13 28.922 0.4 A 120 LYS CE C 13 41.912 0.4 A 120 LYS CG C 13 24.532 0.4 A 120 LYS N N 15 123.166 0.1 A 121 ILE H H 1 7.874 0.02 A 121 ILE HA H 1 4.035 0.02 A 121 ILE HB H 1 1.799 0.02 A 121 ILE HD1% H 1 0.847 0.02 A 121 ILE HG1x H 1 1.136 0.02 A 121 ILE HG1y H 1 1.435 0.02 A 121 ILE HG2% H 1 0.873 0.02 A 121 ILE C C 13 175.95 0.4 A 121 ILE CA C 13 61.12 0.4 A 121 ILE CB C 13 38.708 0.4 A 121 ILE CD1 C 13 13.086 0.4 A 121 ILE CG1 C 13 27.43 0.4 A 121 ILE CG2 C 13 17.497 0.4 A 121 ILE N N 15 121.301 0.1 A 122 ASP H H 1 8.317 0.02 A 122 ASP HA H 1 4.677 0.02 A 122 ASP HBx H 1 2.619 0.02 A 122 ASP HBy H 1 2.712 0.02 A 122 ASP C C 13 176.278 0.4 A 122 ASP CA C 13 54.157 0.4 A 122 ASP CB C 13 41.316 0.4 A 122 ASP N N 15 124.058 0.1 A 123 THR H H 1 8.003 0.02 A 123 THR HA H 1 4.307 0.02 A 123 THR HB H 1 4.227 0.02 A 123 THR HG2% H 1 1.178 0.02 A 123 THR C C 13 173.831 0.4 A 123 THR CA C 13 61.715 0.4 A 123 THR CB C 13 69.736 0.4 A 123 THR CG2 C 13 21.476 0.4 A 123 THR N N 15 114.853 0.1 A 124 LYS H H 1 7.933 0.02 A 124 LYS HA H 1 4.149 0.02 A 124 LYS HBx H 1 1.738 0.02 A 124 LYS HBy H 1 1.828 0.02 A 124 LYS HD2 H 1 1.671 0.02 A 124 LYS HD3 H 1 1.671 0.02 A 124 LYS HE2 H 1 2.987 0.02 A 124 LYS HE3 H 1 2.987 0.02 A 124 LYS HG2 H 1 1.396 0.02 A 124 LYS HG3 H 1 1.396 0.02 A 124 LYS CA C 13 57.773 0.4 A 124 LYS CB C 13 33.516 0.4 A 124 LYS CD C 13 28.977 0.4 A 124 LYS CE C 13 41.91 0.4 A 124 LYS CG C 13 24.675 0.4 A 124 LYS N N 15 128.92 0.1 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 9 LYS HA A 9 LYS H 1.0 1.8 3.0 2 2 A 9 LYS H A 9 LYS HBx 1.0 1.8 4.0 3 2 A 9 LYS H A 9 LYS HBy 1.0 1.8 4.0 4 3 A 9 LYS H A 9 LYS HGx 1.0 1.8 5.0 5 3 A 9 LYS H A 9 LYS HGy 1.0 1.8 5.0 6 4 A 10 ASP HA A 10 ASP H 1.0 1.8 3.5 7 5 A 10 ASP H A 10 ASP HBy 1.0 1.8 4.0 8 6 A 10 ASP H A 10 ASP HBx 1.0 1.8 4.0 9 7 A 11 GLU HA A 11 GLU HGx 1.0 1.8 4.0 10 8 A 11 GLU HA A 11 GLU HGy 1.0 1.8 3.5 11 9 A 11 GLU HA A 11 GLU H 1.0 1.8 3.0 12 10 A 11 GLU H A 11 GLU HBy 1.0 1.8 4.0 13 11 A 11 GLU H A 11 GLU HBx 1.0 1.8 4.0 14 12 A 11 GLU H A 11 GLU HGx 1.0 1.8 4.0 15 12 A 11 GLU H A 11 GLU HGy 1.0 1.8 4.0 16 13 A 12 HIS HA A 12 HIS H 1.0 1.8 4.0 17 14 A 12 HIS H A 12 HIS HBy 1.0 1.8 5.0 18 14 A 12 HIS H A 12 HIS HBx 1.0 1.8 5.0 19 15 A 12 HIS HA A 12 HIS HD2 1.0 1.8 5.0 20 16 A 12 HIS HD2 A 12 HIS HBy 1.0 1.8 5.0 21 17 A 12 HIS HBx A 12 HIS HD2 1.0 1.8 5.0 22 18 A 13 LYS HA A 13 LYS HD2 1.0 1.8 4.0 23 18 A 13 LYS HA A 13 LYS HD3 1.0 1.8 4.0 24 19 A 13 LYS HE3 A 13 LYS HBy 1.0 1.8 5.0 25 19 A 13 LYS HBy A 13 LYS HE2 1.0 1.8 5.0 26 20 A 13 LYS HE3 A 13 LYS HBx 1.0 1.8 5.0 27 20 A 13 LYS HBx A 13 LYS HE2 1.0 1.8 5.0 28 21 A 13 LYS HGy A 13 LYS HE2 1.0 1.8 4.0 29 21 A 13 LYS HE3 A 13 LYS HGy 1.0 1.8 4.0 30 22 A 13 LYS HGx A 13 LYS HE2 1.0 1.8 4.0 31 22 A 13 LYS HE3 A 13 LYS HGx 1.0 1.8 4.0 32 23 A 13 LYS HA A 13 LYS HE2 1.0 1.8 5.0 33 23 A 13 LYS HA A 13 LYS HE3 1.0 1.8 5.0 34 24 A 13 LYS HA A 13 LYS HGy 1.0 1.8 4.0 35 25 A 13 LYS HA A 13 LYS HGx 1.0 1.8 3.5 36 26 A 13 LYS HA A 13 LYS H 1.0 1.8 3.0 37 27 A 13 LYS H A 13 LYS HBy 1.0 1.8 3.5 38 27 A 13 LYS H A 13 LYS HBx 1.0 1.8 3.5 39 28 A 13 LYS HGy A 13 LYS H 1.0 1.8 5.0 40 29 A 13 LYS HGx A 13 LYS H 1.0 1.8 5.0 41 30 A 14 GLN HA A 14 GLN HGy 1.0 1.8 5.0 42 31 A 14 GLN HA A 14 GLN HGx 1.0 1.8 4.0 43 32 A 14 GLN HA A 14 GLN HE2y 1.0 1.8 5.0 44 33 A 14 GLN HA A 14 GLN H 1.0 1.8 4.0 45 34 A 14 GLN H A 14 GLN HBy 1.0 1.8 3.5 46 35 A 14 GLN H A 14 GLN HBx 1.0 1.8 3.0 47 36 A 14 GLN HGy A 14 GLN HE2y 1.0 1.8 5.0 48 37 A 14 GLN HGx A 14 GLN HE2y 1.0 1.8 5.0 49 38 A 14 GLN HGx A 14 GLN H 1.0 1.8 4.0 50 39 A 15 GLN HA A 15 GLN HGy 1.0 1.8 4.0 51 40 A 15 GLN HA A 15 GLN HGx 1.0 1.8 3.5 52 41 A 15 GLN HA A 15 GLN H 1.0 1.8 5.0 53 42 A 15 GLN H A 15 GLN HBy 1.0 1.8 4.0 54 43 A 15 GLN H A 15 GLN HBx 1.0 1.8 4.0 55 44 A 16 GLY HA3 A 16 GLY H 1.0 1.8 5.0 56 45 A 16 GLY H A 16 GLY HA2 1.0 1.8 5.0 57 46 A 17 GLU HA A 17 GLU HGy 1.0 1.8 4.0 58 47 A 17 GLU HA A 17 GLU HGx 1.0 1.8 4.0 59 48 A 17 GLU HA A 17 GLU H 1.0 1.8 5.0 60 49 A 17 GLU H A 17 GLU HBy 1.0 1.8 5.0 61 50 A 17 GLU H A 17 GLU HBx 1.0 1.8 4.0 62 51 A 17 GLU HGy A 17 GLU H 1.0 1.8 4.0 63 52 A 17 GLU HGx A 17 GLU H 1.0 1.8 5.0 64 53 A 18 LEU HA A 18 LEU HDx% 1.0 1.8 5.5 65 54 A 18 LEU HA A 18 LEU HDy% 1.0 1.8 4.0 66 55 A 18 LEU HDx% A 18 LEU HBy 1.0 1.8 5.0 67 56 A 18 LEU HDy% A 18 LEU HBy 1.0 1.8 5.0 68 57 A 18 LEU HDx% A 18 LEU HBx 1.0 1.8 5.0 69 58 A 18 LEU HDy% A 18 LEU HBx 1.0 1.8 5.0 70 59 A 18 LEU HA A 18 LEU HG 1.0 1.8 4.0 71 60 A 18 LEU HA A 18 LEU H 1.0 1.8 4.0 72 61 A 18 LEU HBy A 18 LEU H 1.0 1.8 5.0 73 62 A 18 LEU HBx A 18 LEU H 1.0 1.8 4.0 74 63 A 18 LEU HG A 18 LEU H 1.0 1.8 5.0 75 64 A 19 TYR HA A 19 TYR H 1.0 1.8 4.0 76 65 A 19 TYR H A 19 TYR HBy 1.0 1.8 5.0 77 66 A 19 TYR H A 19 TYR HBx 1.0 1.8 5.0 78 67 A 19 TYR H A 19 TYR HD% 1.0 1.8 5.0 79 68 A 19 TYR HA A 19 TYR HD% 1.0 1.8 5.5 80 69 A 19 TYR HBy A 19 TYR HD% 1.0 1.8 5.5 81 70 A 19 TYR HBy A 19 TYR HE% 1.0 1.8 5.5 82 71 A 19 TYR HBx A 19 TYR HD% 1.0 1.8 5.0 83 72 A 19 TYR HBx A 19 TYR HE% 1.0 1.8 5.5 84 73 A 20 MET HA A 20 MET HGx 1.0 1.8 4.0 85 74 A 20 MET HA A 20 MET HGy 1.0 1.8 3.5 86 75 A 20 MET HA A 20 MET H 1.0 1.8 5.0 87 76 A 20 MET H A 20 MET HBy 1.0 1.8 5.0 88 77 A 20 MET H A 20 MET HBx 1.0 1.8 5.0 89 78 A 20 MET HGy A 20 MET H 1.0 1.8 5.0 90 79 A 21 TRP HA A 21 TRP H 1.0 1.8 5.0 91 80 A 21 TRP HBy A 21 TRP HE1 1.0 1.8 5.5 92 81 A 21 TRP H A 21 TRP HBy 1.0 1.8 4.0 93 82 A 21 TRP HE1 A 21 TRP HBx 1.0 1.8 5.5 94 83 A 21 TRP H A 21 TRP HBx 1.0 1.8 4.0 95 84 A 21 TRP HBy A 21 TRP HD1 1.0 1.8 5.0 96 85 A 21 TRP HBx A 21 TRP HD1 1.0 1.8 5.0 97 86 A 22 ASP HA A 22 ASP H 1.0 1.8 5.0 98 87 A 22 ASP H A 22 ASP HBy 1.0 1.8 4.0 99 88 A 22 ASP H A 22 ASP HBx 1.0 1.8 4.0 100 89 A 23 SER HA A 23 SER H 1.0 1.8 4.0 101 90 A 23 SER H A 23 SER HBy 1.0 1.8 4.0 102 91 A 23 SER H A 23 SER HBx 1.0 1.8 4.0 103 92 A 24 ILE HA A 24 ILE HD1% 1.0 1.8 5.0 104 93 A 24 ILE HA A 24 ILE HG1x 1.0 1.8 4.0 105 94 A 24 ILE HD1% A 24 ILE HB 1.0 1.8 5.0 106 95 A 24 ILE HA A 24 ILE HG1y 1.0 1.8 3.5 107 96 A 24 ILE HA A 24 ILE HG2% 1.0 1.8 3.5 108 97 A 24 ILE HA A 24 ILE H 1.0 1.8 4.0 109 98 A 24 ILE HB A 24 ILE H 1.0 1.8 3.5 110 99 A 24 ILE HG1y A 24 ILE H 1.0 1.8 5.0 111 100 A 24 ILE HG1x A 24 ILE H 1.0 1.8 4.0 112 101 A 24 ILE HG2% A 24 ILE H 1.0 1.8 5.0 113 102 A 25 ASP HA A 25 ASP H 1.0 1.8 4.0 114 103 A 25 ASP H A 25 ASP HBy 1.0 1.8 3.0 115 104 A 25 ASP H A 25 ASP HBx 1.0 1.8 4.0 116 105 A 26 GLN HA A 26 GLN HGy 1.0 1.8 3.5 117 106 A 26 GLN HA A 26 GLN HGx 1.0 1.8 3.5 118 107 A 26 GLN HA A 26 GLN H 1.0 1.8 3.5 119 108 A 26 GLN H A 26 GLN HBy 1.0 1.8 4.0 120 109 A 26 GLN HBx A 26 GLN HE2y 1.0 1.8 5.0 121 110 A 26 GLN H A 26 GLN HBx 1.0 1.8 5.0 122 111 A 26 GLN HGy A 26 GLN HE2x 1.0 1.8 5.0 123 112 A 26 GLN HGy A 26 GLN HE2y 1.0 1.8 4.0 124 113 A 26 GLN HGx A 26 GLN HE2y 1.0 1.8 5.0 125 114 A 26 GLN HGx A 26 GLN H 1.0 1.8 4.0 126 115 A 27 LYS HA A 27 LYS HD2 1.0 1.8 5.0 127 115 A 27 LYS HA A 27 LYS HD3 1.0 1.8 5.0 128 116 A 27 LYS HB2 A 27 LYS HE2 1.0 1.8 5.0 129 116 A 27 LYS HB3 A 27 LYS HE2 1.0 1.8 5.0 130 116 A 27 LYS HE3 A 27 LYS HB2 1.0 1.8 5.0 131 116 A 27 LYS HB3 A 27 LYS HE3 1.0 1.8 5.0 132 117 A 27 LYS HE3 A 27 LYS HG2 1.0 1.8 3.5 133 117 A 27 LYS HE2 A 27 LYS HG2 1.0 1.8 3.5 134 117 A 27 LYS HG3 A 27 LYS HE2 1.0 1.8 3.5 135 117 A 27 LYS HE3 A 27 LYS HG3 1.0 1.8 3.5 136 118 A 27 LYS HA A 27 LYS HE2 1.0 1.8 6.0 137 118 A 27 LYS HA A 27 LYS HE3 1.0 1.8 6.0 138 119 A 27 LYS HA A 27 LYS HG2 1.0 1.8 4.0 139 119 A 27 LYS HA A 27 LYS HG3 1.0 1.8 4.0 140 120 A 27 LYS HA A 27 LYS H 1.0 1.8 5.0 141 121 A 27 LYS H A 27 LYS HB2 1.0 1.8 5.0 142 121 A 27 LYS HB3 A 27 LYS H 1.0 1.8 5.0 143 122 A 27 LYS H A 27 LYS HG2 1.0 1.8 5.0 144 122 A 27 LYS HG3 A 27 LYS H 1.0 1.8 5.0 145 123 A 28 TRP HA A 28 TRP H 1.0 1.8 5.0 146 124 A 28 TRP HE1 A 28 TRP HB2 1.0 1.8 5.0 147 124 A 28 TRP HB3 A 28 TRP HE1 1.0 1.8 5.0 148 125 A 28 TRP H A 28 TRP HB2 1.0 1.8 4.0 149 125 A 28 TRP H A 28 TRP HB3 1.0 1.8 4.0 150 126 A 28 TRP H A 28 TRP HD1 1.0 1.8 5.0 151 127 A 28 TRP HE1 A 28 TRP HH2 1.0 1.8 5.0 152 128 A 28 TRP HA A 28 TRP HE3 1.0 1.8 5.0 153 129 A 28 TRP HD1 A 28 TRP HB2 1.0 1.8 5.0 154 129 A 28 TRP HB3 A 28 TRP HD1 1.0 1.8 5.0 155 130 A 28 TRP HE3 A 28 TRP HB2 1.0 1.8 5.0 156 130 A 28 TRP HB3 A 28 TRP HE3 1.0 1.8 5.0 157 131 A 29 THR HA A 29 THR HG2% 1.0 1.8 4.0 158 132 A 29 THR HA A 29 THR H 1.0 1.8 5.0 159 133 A 29 THR H A 29 THR HB 1.0 1.8 5.0 160 134 A 29 THR HG2% A 29 THR H 1.0 1.8 5.5 161 135 A 30 ARG HA A 30 ARG HDy 1.0 1.8 5.0 162 136 A 30 ARG HA A 30 ARG HDx 1.0 1.8 5.0 163 137 A 30 ARG HBy A 30 ARG HDy 1.0 1.8 4.0 164 138 A 30 ARG HBy A 30 ARG HDx 1.0 1.8 4.0 165 139 A 30 ARG HBx A 30 ARG HDy 1.0 1.8 4.0 166 140 A 30 ARG HBx A 30 ARG HDx 1.0 1.8 4.0 167 141 A 30 ARG HA A 30 ARG HGy 1.0 1.8 4.0 168 142 A 30 ARG HA A 30 ARG HGx 1.0 1.8 4.0 169 143 A 30 ARG HBy A 30 ARG H 1.0 1.8 5.0 170 144 A 30 ARG HBx A 30 ARG HE 1.0 1.8 5.0 171 145 A 30 ARG HBx A 30 ARG H 1.0 1.8 4.0 172 146 A 30 ARG HGy A 30 ARG HE 1.0 1.8 5.0 173 147 A 31 HIS HA A 31 HIS H 1.0 1.8 5.0 174 148 A 31 HIS H A 31 HIS HBy 1.0 1.8 5.0 175 149 A 31 HIS H A 31 HIS HBx 1.0 1.8 5.0 176 150 A 31 HIS H A 31 HIS HD2 1.0 1.8 5.0 177 151 A 32 TYR HA A 32 TYR H 1.0 1.8 4.0 178 152 A 32 TYR H A 32 TYR HBy 1.0 1.8 4.0 179 153 A 32 TYR H A 32 TYR HBx 1.0 1.8 5.0 180 154 A 32 TYR H A 32 TYR HD% 1.0 1.8 5.5 181 155 A 32 TYR HA A 32 TYR HD% 1.0 1.8 5.0 182 156 A 32 TYR HE% A 32 TYR HBy 1.0 1.8 5.5 183 156 A 32 TYR HBx A 32 TYR HE% 1.0 1.8 5.5 184 157 A 32 TYR HD% A 32 TYR HBy 1.0 1.8 4.0 185 158 A 32 TYR HD% A 32 TYR HBx 1.0 1.8 4.0 186 159 A 33 CYS HA A 33 CYS H 1.0 1.8 5.0 187 160 A 33 CYS H A 33 CYS HBy 1.0 1.8 4.0 188 160 A 33 CYS H A 33 CYS HBx 1.0 1.8 4.0 189 161 A 34 ALA HA A 34 ALA H 1.0 1.8 5.0 190 162 A 34 ALA H A 34 ALA HB% 1.0 1.8 5.0 191 163 A 35 ILE HA A 35 ILE HD1% 1.0 1.8 5.5 192 164 A 35 ILE HA A 35 ILE HG1x 1.0 1.8 4.0 193 165 A 35 ILE HA A 35 ILE HG2% 1.0 1.8 4.0 194 166 A 35 ILE HD1% A 35 ILE HB 1.0 1.8 3.5 195 167 A 35 ILE HA A 35 ILE HG1y 1.0 1.8 3.5 196 168 A 35 ILE HA A 35 ILE H 1.0 1.8 3.5 197 169 A 35 ILE HB A 35 ILE H 1.0 1.8 3.5 198 170 A 35 ILE HG1y A 35 ILE H 1.0 1.8 5.0 199 171 A 35 ILE HG1x A 35 ILE H 1.0 1.8 5.0 200 172 A 35 ILE HG2% A 35 ILE H 1.0 1.8 5.0 201 173 A 36 ALA HA A 36 ALA H 1.0 1.8 5.0 202 174 A 36 ALA H A 36 ALA HB% 1.0 1.8 5.0 203 175 A 37 ASP HA A 37 ASP H 1.0 1.8 5.0 204 176 A 37 ASP H A 37 ASP HBy 1.0 1.8 5.0 205 177 A 37 ASP H A 37 ASP HBx 1.0 1.8 5.0 206 178 A 38 ALA HA A 38 ALA H 1.0 1.8 4.0 207 179 A 38 ALA H A 38 ALA HB% 1.0 1.8 5.0 208 180 A 39 LYS HA A 39 LYS HDy 1.0 1.8 5.0 209 181 A 39 LYS HA A 39 LYS HE2 1.0 1.8 6.0 210 181 A 39 LYS HA A 39 LYS HE3 1.0 1.8 6.0 211 182 A 39 LYS HBx A 39 LYS HE2 1.0 1.8 4.0 212 182 A 39 LYS HE3 A 39 LYS HBx 1.0 1.8 4.0 213 183 A 39 LYS HBy A 39 LYS HDx 1.0 1.8 3.5 214 184 A 39 LYS HBx A 39 LYS HDx 1.0 1.8 3.5 215 185 A 39 LYS HBy A 39 LYS HE2 1.0 1.8 6.0 216 185 A 39 LYS HE3 A 39 LYS HBy 1.0 1.8 6.0 217 186 A 39 LYS HGy A 39 LYS HE2 1.0 1.8 3.5 218 186 A 39 LYS HE3 A 39 LYS HGy 1.0 1.8 3.5 219 187 A 39 LYS HGx A 39 LYS HE2 1.0 1.8 3.0 220 187 A 39 LYS HE3 A 39 LYS HGx 1.0 1.8 3.0 221 188 A 39 LYS HA A 39 LYS HDx 1.0 1.8 5.0 222 189 A 39 LYS HA A 39 LYS HGy 1.0 1.8 3.5 223 190 A 39 LYS HA A 39 LYS HGx 1.0 1.8 3.0 224 191 A 39 LYS HA A 39 LYS H 1.0 1.8 5.0 225 192 A 39 LYS HBy A 39 LYS H 1.0 1.8 4.0 226 193 A 39 LYS HBx A 39 LYS H 1.0 1.8 4.0 227 194 A 39 LYS H A 39 LYS HE2 1.0 1.8 5.0 228 194 A 39 LYS HE3 A 39 LYS H 1.0 1.8 5.0 229 195 A 39 LYS HGy A 39 LYS H 1.0 1.8 4.0 230 196 A 40 LEU HBy A 40 LEU HDx% 1.0 1.8 4.0 231 197 A 40 LEU HBx A 40 LEU HDx% 1.0 1.8 4.0 232 198 A 40 LEU HBx A 40 LEU HDy% 1.0 1.8 4.0 233 199 A 40 LEU HBy A 40 LEU HDy% 1.0 1.8 4.0 234 200 A 40 LEU HA A 40 LEU HDx% 1.0 1.8 4.0 235 201 A 40 LEU HA A 40 LEU HDy% 1.0 1.8 4.0 236 202 A 40 LEU HA A 40 LEU HG 1.0 1.8 4.0 237 203 A 40 LEU HA A 40 LEU H 1.0 1.8 5.0 238 204 A 40 LEU HBy A 40 LEU H 1.0 1.8 4.0 239 205 A 40 LEU HBx A 40 LEU H 1.0 1.8 4.0 240 206 A 40 LEU H A 40 LEU HDx% 1.0 1.8 5.0 241 206 A 40 LEU H A 40 LEU HDy% 1.0 1.8 5.0 242 207 A 40 LEU HG A 40 LEU H 1.0 1.8 5.0 243 208 A 41 SER HA A 41 SER H 1.0 1.8 5.0 244 209 A 41 SER H A 41 SER HBy 1.0 1.8 5.0 245 210 A 41 SER H A 41 SER HBx 1.0 1.8 5.0 246 211 A 42 PHE HA A 42 PHE H 1.0 1.8 5.0 247 212 A 42 PHE H A 42 PHE HBy 1.0 1.8 5.0 248 213 A 42 PHE H A 42 PHE HBx 1.0 1.8 5.0 249 214 A 42 PHE H A 42 PHE HD% 1.0 1.8 5.5 250 215 A 42 PHE H A 42 PHE HE% 1.0 1.8 5.5 251 216 A 42 PHE HA A 42 PHE HD% 1.0 1.8 5.5 252 217 A 42 PHE HBy A 42 PHE HD% 1.0 1.8 5.0 253 218 A 42 PHE HBx A 42 PHE HD% 1.0 1.8 4.0 254 219 A 43 SER HA A 43 SER H 1.0 1.8 5.0 255 220 A 43 SER H A 43 SER HBy 1.0 1.8 5.0 256 221 A 44 ASP HA A 44 ASP H 1.0 1.8 3.5 257 222 A 44 ASP H A 44 ASP HBy 1.0 1.8 4.0 258 223 A 44 ASP H A 44 ASP HBx 1.0 1.8 4.0 259 224 A 45 ASP HA A 45 ASP H 1.0 1.8 4.0 260 225 A 45 ASP H A 45 ASP HBy 1.0 1.8 4.0 261 226 A 45 ASP H A 45 ASP HBx 1.0 1.8 4.0 262 227 A 46 ILE HA A 46 ILE HD1% 1.0 1.8 5.5 263 228 A 46 ILE HA A 46 ILE HG1x 1.0 1.8 4.0 264 229 A 46 ILE HA A 46 ILE HG2% 1.0 1.8 4.0 265 230 A 46 ILE HD1% A 46 ILE HB 1.0 1.8 4.0 266 231 A 46 ILE HA A 46 ILE HG1y 1.0 1.8 4.0 267 232 A 46 ILE HA A 46 ILE H 1.0 1.8 3.5 268 233 A 46 ILE HB A 46 ILE H 1.0 1.8 4.0 269 234 A 46 ILE HD1% A 46 ILE H 1.0 1.8 5.5 270 235 A 46 ILE HG1x A 46 ILE H 1.0 1.8 5.0 271 236 A 46 ILE HG2% A 46 ILE H 1.0 1.8 4.0 272 237 A 47 GLU HA A 47 GLU HGy 1.0 1.8 4.0 273 238 A 47 GLU HA A 47 GLU HGx 1.0 1.8 4.0 274 239 A 47 GLU HA A 47 GLU H 1.0 1.8 4.0 275 240 A 47 GLU H A 47 GLU HBy 1.0 1.8 4.0 276 241 A 47 GLU H A 47 GLU HBx 1.0 1.8 4.0 277 242 A 47 GLU HGy A 47 GLU H 1.0 1.8 4.0 278 243 A 47 GLU HGx A 47 GLU H 1.0 1.8 4.0 279 244 A 48 GLN HA A 48 GLN HG2 1.0 1.8 3.5 280 244 A 48 GLN HA A 48 GLN HG3 1.0 1.8 3.5 281 245 A 48 GLN HA A 48 GLN H 1.0 1.8 4.0 282 246 A 48 GLN H A 48 GLN HBy 1.0 1.8 4.0 283 247 A 48 GLN H A 48 GLN HBx 1.0 1.8 4.0 284 248 A 48 GLN HE2x A 48 GLN HG2 1.0 1.8 4.0 285 248 A 48 GLN HG3 A 48 GLN HE2x 1.0 1.8 4.0 286 249 A 48 GLN HE2y A 48 GLN HG2 1.0 1.8 4.0 287 249 A 48 GLN HG3 A 48 GLN HE2y 1.0 1.8 4.0 288 250 A 48 GLN H A 48 GLN HG2 1.0 1.8 5.0 289 250 A 48 GLN HG3 A 48 GLN H 1.0 1.8 5.0 290 251 A 49 THR HA A 49 THR HG2% 1.0 1.8 3.5 291 252 A 49 THR HA A 49 THR H 1.0 1.8 3.5 292 253 A 49 THR H A 49 THR HB 1.0 1.8 4.0 293 254 A 49 THR HG2% A 49 THR H 1.0 1.8 5.5 294 255 A 50 MET HA A 50 MET HE% 1.0 1.8 5.0 295 256 A 50 MET HA A 50 MET HGy 1.0 1.8 4.0 296 257 A 50 MET HA A 50 MET HGx 1.0 1.8 4.0 297 258 A 50 MET HA A 50 MET H 1.0 1.8 3.5 298 259 A 50 MET H A 50 MET HBy 1.0 1.8 4.0 299 260 A 50 MET H A 50 MET HBx 1.0 1.8 4.0 300 261 A 50 MET HGy A 50 MET H 1.0 1.8 5.0 301 262 A 50 MET HGx A 50 MET H 1.0 1.8 5.0 302 263 A 51 GLU HA A 51 GLU HGy 1.0 1.8 3.0 303 264 A 51 GLU HA A 51 GLU HGx 1.0 1.8 3.0 304 265 A 51 GLU HA A 51 GLU H 1.0 1.8 3.0 305 266 A 51 GLU H A 51 GLU HBy 1.0 2.0 4.0 306 267 A 51 GLU H A 51 GLU HBx 1.0 2.3 4.0 307 268 A 51 GLU H A 51 GLU HGx 1.0 1.8 4.0 308 268 A 51 GLU H A 51 GLU HGy 1.0 1.8 4.0 309 269 A 52 GLU HA A 52 GLU H 1.0 1.8 3.0 310 270 A 52 GLU H A 52 GLU HB3 1.0 1.8 3.5 311 271 A 52 GLU H A 52 GLU HB2 1.0 1.8 3.5 312 272 A 52 GLU H A 52 GLU HG2 1.0 1.8 4.0 313 272 A 52 GLU H A 52 GLU HG3 1.0 1.8 4.0 314 273 A 53 ASP HA A 53 ASP H 1.0 1.8 3.5 315 274 A 53 ASP H A 53 ASP HBy 1.0 1.8 4.0 316 275 A 53 ASP H A 53 ASP HBx 1.0 1.8 4.0 317 276 A 54 ASN HA A 54 ASN H 1.0 1.8 4.0 318 277 A 54 ASN HBy A 54 ASN HD2x 1.0 1.8 5.0 319 278 A 54 ASN HBy A 54 ASN HD2y 1.0 1.8 4.0 320 279 A 54 ASN H A 54 ASN HBy 1.0 1.8 4.0 321 280 A 54 ASN HD2x A 54 ASN HBx 1.0 1.8 5.0 322 281 A 54 ASN HD2y A 54 ASN HBx 1.0 1.8 5.0 323 282 A 54 ASN H A 54 ASN HBx 1.0 1.8 5.0 324 283 A 55 PRO HBy A 55 PRO HD2 1.0 1.8 4.0 325 283 A 55 PRO HBy A 55 PRO HD3 1.0 1.8 4.0 326 284 A 55 PRO HA A 55 PRO HD2 1.0 1.8 5.0 327 284 A 55 PRO HD3 A 55 PRO HA 1.0 1.8 5.0 328 285 A 55 PRO HBx A 55 PRO HD2 1.0 1.8 3.5 329 285 A 55 PRO HD3 A 55 PRO HBx 1.0 1.8 3.5 330 286 A 55 PRO HA A 55 PRO HGy 1.0 1.8 4.0 331 287 A 55 PRO HA A 55 PRO HGx 1.0 1.8 4.0 332 288 A 56 LEU HBx A 56 LEU HDy% 1.0 1.8 3.5 333 289 A 56 LEU HA A 56 LEU HDx% 1.0 1.8 3.5 334 290 A 56 LEU HA A 56 LEU HDy% 1.0 1.8 4.0 335 291 A 56 LEU HA A 56 LEU HG 1.0 1.8 3.0 336 292 A 56 LEU HBx A 56 LEU HDx% 1.0 1.8 3.5 337 293 A 56 LEU HA A 56 LEU H 1.0 1.8 4.0 338 294 A 56 LEU H A 56 LEU HBy 1.0 1.8 3.5 339 295 A 56 LEU HBx A 56 LEU H 1.0 1.8 3.5 340 296 A 56 LEU H A 56 LEU HDx% 1.0 1.8 5.0 341 296 A 56 LEU H A 56 LEU HDy% 1.0 1.8 5.0 342 297 A 57 GLY H A 57 GLY HA2 1.0 1.8 3.5 343 297 A 57 GLY HA3 A 57 GLY H 1.0 1.8 3.5 344 298 A 58 SER HA A 58 SER H 1.0 1.8 5.0 345 299 A 58 SER H A 58 SER HBy 1.0 1.8 4.0 346 300 A 58 SER H A 58 SER HBx 1.0 1.8 4.0 347 301 A 59 LEU HA A 59 LEU HDx% 1.0 1.8 4.0 348 302 A 59 LEU HA A 59 LEU HDy% 1.0 1.8 4.0 349 303 A 59 LEU HA A 59 LEU H 1.0 1.8 3.0 350 304 A 59 LEU H A 59 LEU HBy 1.0 1.8 4.0 351 305 A 59 LEU H A 59 LEU HBx 1.0 1.8 4.0 352 306 A 59 LEU H A 59 LEU HDx% 1.0 1.8 5.0 353 307 A 60 CYS HA A 60 CYS H 1.0 1.8 3.0 354 308 A 60 CYS H A 60 CYS HBy 1.0 1.8 4.0 355 308 A 60 CYS H A 60 CYS HBx 1.0 1.8 4.0 356 309 A 61 ARG HA A 61 ARG HDy 1.0 1.8 4.0 357 310 A 61 ARG HA A 61 ARG HDx 1.0 1.8 4.0 358 311 A 61 ARG HA A 61 ARG HG2 1.0 1.8 3.5 359 311 A 61 ARG HA A 61 ARG HG3 1.0 1.8 3.5 360 312 A 61 ARG HDy A 61 ARG HBy 1.0 1.8 4.0 361 312 A 61 ARG HBy A 61 ARG HDx 1.0 1.8 4.0 362 313 A 61 ARG HDy A 61 ARG HBx 1.0 1.8 4.0 363 313 A 61 ARG HBx A 61 ARG HDx 1.0 1.8 4.0 364 314 A 61 ARG HA A 61 ARG HDx 1.0 1.8 4.0 365 314 A 61 ARG HA A 61 ARG HDy 1.0 1.8 4.0 366 315 A 61 ARG HA A 61 ARG H 1.0 1.8 4.0 367 316 A 61 ARG H A 61 ARG HBy 1.0 1.8 4.0 368 316 A 61 ARG H A 61 ARG HBx 1.0 1.8 4.0 369 317 A 61 ARG H A 61 ARG HDx 1.0 1.8 5.0 370 317 A 61 ARG HDy A 61 ARG H 1.0 1.8 5.0 371 318 A 61 ARG H A 61 ARG HG2 1.0 1.8 4.0 372 318 A 61 ARG HG3 A 61 ARG H 1.0 1.8 4.0 373 319 A 62 GLY HA3 A 62 GLY H 1.0 1.8 5.0 374 320 A 62 GLY H A 62 GLY HA2 1.0 1.8 5.0 375 321 A 63 ILE HA A 63 ILE HD1% 1.0 1.8 5.0 376 322 A 63 ILE HA A 63 ILE HG1y 1.0 1.8 4.0 377 323 A 63 ILE HA A 63 ILE HG2% 1.0 1.8 4.0 378 324 A 63 ILE HD1% A 63 ILE HB 1.0 1.8 4.0 379 325 A 63 ILE HA A 63 ILE HG1x 1.0 1.8 4.0 380 326 A 63 ILE HA A 63 ILE H 1.0 1.8 5.0 381 327 A 63 ILE HB A 63 ILE H 1.0 1.8 4.0 382 328 A 63 ILE HG1y A 63 ILE H 1.0 1.8 5.0 383 329 A 63 ILE HG1x A 63 ILE H 1.0 1.8 5.0 384 330 A 63 ILE HG2% A 63 ILE H 1.0 1.8 5.0 385 331 A 64 LEU HA A 64 LEU HDy% 1.0 1.8 4.0 386 332 A 64 LEU HA A 64 LEU HG 1.0 1.8 5.0 387 333 A 64 LEU HBy A 64 LEU HDx% 1.0 1.8 4.0 388 334 A 64 LEU HDy% A 64 LEU HBy 1.0 1.8 4.0 389 335 A 64 LEU HDx% A 64 LEU HBx 1.0 1.8 3.5 390 336 A 64 LEU HDy% A 64 LEU HBx 1.0 1.8 5.0 391 337 A 64 LEU HA A 64 LEU HDx% 1.0 1.8 5.0 392 338 A 64 LEU HA A 64 LEU H 1.0 1.8 4.0 393 339 A 64 LEU HBy A 64 LEU H 1.0 1.8 5.0 394 340 A 64 LEU HBx A 64 LEU H 1.0 1.8 4.0 395 341 A 64 LEU HDx% A 64 LEU H 1.0 1.8 5.0 396 342 A 64 LEU HDy% A 64 LEU H 1.0 1.8 5.5 397 343 A 65 ASP HA A 65 ASP H 1.0 1.8 4.0 398 344 A 65 ASP H A 65 ASP HBy 1.0 1.8 4.0 399 345 A 65 ASP H A 65 ASP HBx 1.0 1.8 4.0 400 346 A 66 LEU HA A 66 LEU HDy% 1.0 1.8 5.5 401 347 A 66 LEU HBy A 66 LEU HDx% 1.0 1.8 4.0 402 348 A 66 LEU HBx A 66 LEU HDx% 1.0 1.8 4.0 403 349 A 66 LEU HBx A 66 LEU HDy% 1.0 1.8 4.0 404 350 A 66 LEU HBy A 66 LEU HDy% 1.0 1.8 4.0 405 351 A 66 LEU HA A 66 LEU HDx% 1.0 1.8 3.5 406 352 A 66 LEU HA A 66 LEU HG 1.0 1.8 4.0 407 353 A 66 LEU HA A 66 LEU H 1.0 1.8 5.0 408 354 A 66 LEU HBy A 66 LEU H 1.0 1.8 5.0 409 355 A 66 LEU HBx A 66 LEU H 1.0 1.8 5.0 410 356 A 66 LEU H A 66 LEU HDx% 1.0 1.8 5.0 411 357 A 66 LEU H A 66 LEU HDy% 1.0 1.8 5.0 412 358 A 66 LEU HG A 66 LEU H 1.0 1.8 4.0 413 359 A 67 ASN HA A 67 ASN H 1.0 1.8 4.0 414 360 A 67 ASN HBy A 67 ASN HD2x 1.0 1.8 5.0 415 361 A 67 ASN HBy A 67 ASN HD2y 1.0 1.8 5.0 416 362 A 67 ASN H A 67 ASN HBy 1.0 1.8 4.0 417 363 A 67 ASN HD2x A 67 ASN HBx 1.0 1.8 5.0 418 364 A 67 ASN HD2y A 67 ASN HBx 1.0 1.8 4.0 419 365 A 67 ASN H A 67 ASN HBx 1.0 1.8 4.0 420 366 A 67 ASN H A 67 ASN HD2x 1.0 1.8 5.0 421 367 A 67 ASN H A 67 ASN HD2y 1.0 1.8 5.0 422 368 A 68 THR HA A 68 THR HG2% 1.0 1.8 4.0 423 369 A 68 THR HA A 68 THR H 1.0 1.8 5.0 424 370 A 68 THR H A 68 THR HB 1.0 1.8 5.0 425 371 A 68 THR HG2% A 68 THR H 1.0 1.8 5.0 426 372 A 69 TYR HA A 69 TYR H 1.0 1.8 5.0 427 373 A 69 TYR H A 69 TYR HBy 1.0 1.8 4.0 428 374 A 69 TYR H A 69 TYR HBx 1.0 1.8 5.0 429 375 A 69 TYR H A 69 TYR HD% 1.0 1.8 5.5 430 376 A 69 TYR HA A 69 TYR HD% 1.0 1.8 5.0 431 377 A 69 TYR HA A 69 TYR HE% 1.0 1.8 5.5 432 378 A 69 TYR HBy A 69 TYR HD% 1.0 1.8 5.0 433 379 A 69 TYR HBx A 69 TYR HD% 1.0 1.8 5.0 434 380 A 70 ASN HA A 70 ASN HD2x 1.0 1.8 5.0 435 381 A 70 ASN HA A 70 ASN HD2y 1.0 1.8 5.0 436 382 A 70 ASN HA A 70 ASN H 1.0 1.8 3.5 437 383 A 70 ASN HD2x A 70 ASN HBy 1.0 1.8 5.0 438 384 A 70 ASN HD2y A 70 ASN HBy 1.0 1.8 4.0 439 385 A 70 ASN H A 70 ASN HBy 1.0 1.8 4.0 440 386 A 70 ASN HD2x A 70 ASN HBx 1.0 1.8 5.0 441 387 A 70 ASN HD2y A 70 ASN HBx 1.0 1.8 4.0 442 388 A 70 ASN H A 70 ASN HBx 1.0 1.8 5.0 443 389 A 70 ASN HD2y A 70 ASN H 1.0 1.8 5.0 444 390 A 70 ASN HD2x A 70 ASN H 1.0 1.8 5.0 445 391 A 71 VAL HA A 71 VAL HGy% 1.0 1.8 4.0 446 392 A 71 VAL HA A 71 VAL HGx% 1.0 1.8 5.0 447 393 A 71 VAL HA A 71 VAL H 1.0 1.8 4.0 448 394 A 71 VAL H A 71 VAL HB 1.0 1.8 4.0 449 395 A 71 VAL HGx% A 71 VAL H 1.0 1.8 4.0 450 396 A 71 VAL HGy% A 71 VAL H 1.0 1.8 5.5 451 397 A 72 VAL HA A 72 VAL HGx% 1.0 1.8 3.5 452 398 A 72 VAL HA A 72 VAL HGy% 1.0 1.8 3.5 453 399 A 72 VAL HA A 72 VAL H 1.0 1.8 4.0 454 400 A 72 VAL H A 72 VAL HB 1.0 1.8 5.0 455 401 A 72 VAL HGx% A 72 VAL H 1.0 1.8 4.0 456 402 A 72 VAL HGy% A 72 VAL H 1.0 1.8 4.0 457 403 A 73 LYS HA A 73 LYS HDx 1.0 1.8 6.0 458 404 A 73 LYS HBy A 73 LYS HE2 1.0 1.8 3.5 459 404 A 73 LYS HBy A 73 LYS HE3 1.0 1.8 3.5 460 405 A 73 LYS HBx A 73 LYS HE2 1.0 1.8 4.0 461 405 A 73 LYS HE3 A 73 LYS HBx 1.0 1.8 4.0 462 406 A 73 LYS HE2 A 73 LYS HG2 1.0 1.8 3.0 463 406 A 73 LYS HE3 A 73 LYS HG2 1.0 1.8 3.0 464 406 A 73 LYS HG3 A 73 LYS HE2 1.0 1.8 3.0 465 406 A 73 LYS HE3 A 73 LYS HG3 1.0 1.8 3.0 466 407 A 73 LYS HA A 73 LYS HDy 1.0 1.8 5.0 467 408 A 73 LYS HA A 73 LYS HG2 1.0 1.8 3.5 468 408 A 73 LYS HA A 73 LYS HG3 1.0 1.8 3.5 469 409 A 73 LYS HA A 73 LYS H 1.0 1.8 5.0 470 410 A 73 LYS HBy A 73 LYS H 1.0 1.8 4.0 471 411 A 73 LYS HBx A 73 LYS H 1.0 1.8 4.0 472 412 A 73 LYS H A 73 LYS HG2 1.0 1.8 5.0 473 412 A 73 LYS HG3 A 73 LYS H 1.0 1.8 5.0 474 413 A 74 ALA HA A 74 ALA H 1.0 1.8 5.0 475 414 A 74 ALA H A 74 ALA HB% 1.0 1.8 4.0 476 415 A 75 PRO HA A 75 PRO HGy 1.0 1.8 4.0 477 416 A 75 PRO HBy A 75 PRO HDy 1.0 1.8 4.0 478 417 A 75 PRO HDy A 75 PRO HBx 1.0 1.8 4.0 479 418 A 75 PRO HBy A 75 PRO HDx 1.0 1.8 4.0 480 419 A 75 PRO HBx A 75 PRO HDx 1.0 1.8 4.0 481 420 A 75 PRO HA A 75 PRO HDy 1.0 1.8 5.0 482 421 A 75 PRO HA A 75 PRO HDx 1.0 1.8 5.0 483 422 A 75 PRO HA A 75 PRO HGx 1.0 1.8 3.5 484 423 A 76 GLN HA A 76 GLN HGx 1.0 1.8 3.5 485 424 A 76 GLN HA A 76 GLN HGy 1.0 1.8 3.0 486 425 A 76 GLN HA A 76 GLN H 1.0 1.8 5.0 487 426 A 76 GLN H A 76 GLN HBy 1.0 1.8 5.0 488 427 A 76 GLN H A 76 GLN HBx 1.0 1.8 5.0 489 428 A 76 GLN HGy A 76 GLN H 1.0 1.8 5.0 490 429 A 76 GLN HGx A 76 GLN H 1.0 1.8 5.0 491 430 A 77 GLY HA3 A 77 GLY H 1.0 1.8 4.0 492 431 A 77 GLY H A 77 GLY HA2 1.0 1.8 3.5 493 432 A 78 LYS HBy A 78 LYS HE3 1.0 1.8 4.0 494 433 A 78 LYS HBy A 78 LYS HE2 1.0 1.8 4.0 495 434 A 78 LYS HE3 A 78 LYS HBx 1.0 1.8 5.0 496 435 A 78 LYS HE2 A 78 LYS HBx 1.0 1.8 4.0 497 436 A 78 LYS HBy A 78 LYS HD2 1.0 1.8 3.5 498 436 A 78 LYS HBy A 78 LYS HD3 1.0 1.8 3.5 499 437 A 78 LYS HE3 A 78 LYS HGy 1.0 1.8 4.0 500 438 A 78 LYS HE2 A 78 LYS HGy 1.0 1.8 4.0 501 439 A 78 LYS HE3 A 78 LYS HGx 1.0 1.8 4.0 502 440 A 78 LYS HE2 A 78 LYS HGx 1.0 1.8 4.0 503 441 A 78 LYS HA A 78 LYS HD2 1.0 1.8 5.0 504 441 A 78 LYS HD3 A 78 LYS HA 1.0 1.8 5.0 505 442 A 78 LYS HGy A 78 LYS HA 1.0 1.8 3.5 506 443 A 78 LYS HGx A 78 LYS HA 1.0 1.8 3.5 507 444 A 78 LYS HA A 78 LYS H 1.0 1.8 5.0 508 445 A 78 LYS HBy A 78 LYS H 1.0 1.8 4.0 509 446 A 78 LYS HBx A 78 LYS H 1.0 1.8 4.0 510 447 A 78 LYS H A 78 LYS HD2 1.0 1.8 5.0 511 447 A 78 LYS HD3 A 78 LYS H 1.0 1.8 5.0 512 448 A 78 LYS HGy A 78 LYS H 1.0 1.8 5.0 513 449 A 78 LYS HGx A 78 LYS H 1.0 1.8 5.0 514 450 A 79 ASN HA A 79 ASN HD22 1.0 1.8 5.0 515 450 A 79 ASN HA A 79 ASN HD21 1.0 1.8 5.0 516 451 A 79 ASN HA A 79 ASN H 1.0 1.8 3.5 517 452 A 79 ASN HBy A 79 ASN HD22 1.0 1.8 5.0 518 452 A 79 ASN HD21 A 79 ASN HBy 1.0 1.8 5.0 519 453 A 79 ASN H A 79 ASN HBy 1.0 1.8 5.0 520 454 A 79 ASN HBx A 79 ASN HD22 1.0 1.8 5.0 521 454 A 79 ASN HD21 A 79 ASN HBx 1.0 1.8 5.0 522 455 A 79 ASN H A 79 ASN HBx 1.0 1.8 5.0 523 456 A 79 ASN H A 79 ASN HD22 1.0 1.8 5.0 524 456 A 79 ASN HD21 A 79 ASN H 1.0 1.8 5.0 525 457 A 80 GLN HA A 80 GLN HG2 1.0 1.8 3.0 526 457 A 80 GLN HA A 80 GLN HG3 1.0 1.8 3.0 527 458 A 80 GLN HA A 80 GLN H 1.0 1.8 3.5 528 459 A 80 GLN H A 80 GLN HBy 1.0 1.8 4.0 529 460 A 80 GLN H A 80 GLN HBx 1.0 1.8 5.0 530 461 A 81 LYS HA A 81 LYS HDx 1.0 1.8 3.5 531 462 A 81 LYS HA A 81 LYS HE2 1.0 1.8 4.0 532 463 A 81 LYS HA A 81 LYS HGy 1.0 1.8 5.0 533 464 A 81 LYS HA A 81 LYS HGx 1.0 1.8 4.0 534 465 A 81 LYS HBy A 81 LYS HDy 1.0 1.8 5.0 535 466 A 81 LYS HDy A 81 LYS HBx 1.0 1.8 5.0 536 467 A 81 LYS HDx A 81 LYS HBy 1.0 1.8 4.0 537 468 A 81 LYS HGy A 81 LYS HE3 1.0 1.8 4.0 538 469 A 81 LYS HGx A 81 LYS HE3 1.0 1.8 4.0 539 470 A 81 LYS HE2 A 81 LYS HGy 1.0 1.8 5.0 540 471 A 81 LYS HE2 A 81 LYS HGx 1.0 1.8 4.0 541 472 A 81 LYS HA A 81 LYS HDy 1.0 1.8 4.0 542 473 A 81 LYS HA A 81 LYS HE3 1.0 1.8 5.0 543 474 A 81 LYS HA A 81 LYS H 1.0 1.8 4.0 544 475 A 81 LYS HBy A 81 LYS H 1.0 1.8 4.0 545 476 A 81 LYS HBx A 81 LYS H 1.0 1.8 5.0 546 477 A 81 LYS HDx A 81 LYS H 1.0 1.8 5.0 547 478 A 81 LYS HGy A 81 LYS H 1.0 1.8 5.0 548 479 A 81 LYS HGx A 81 LYS H 1.0 1.8 5.0 549 480 A 82 SER HA A 82 SER H 1.0 1.8 4.0 550 481 A 82 SER H A 82 SER HBy 1.0 1.8 4.0 551 482 A 82 SER H A 82 SER HBx 1.0 1.8 5.0 552 483 A 83 PHE HA A 83 PHE H 1.0 1.8 5.0 553 484 A 83 PHE H A 83 PHE HBy 1.0 1.8 5.0 554 485 A 83 PHE H A 83 PHE HBx 1.0 1.8 5.0 555 486 A 83 PHE H A 83 PHE HD% 1.0 1.8 5.5 556 487 A 83 PHE H A 83 PHE HE% 1.0 1.8 5.5 557 488 A 83 PHE HA A 83 PHE HD% 1.0 1.8 5.5 558 489 A 83 PHE HBy A 83 PHE HD% 1.0 1.8 5.5 559 490 A 83 PHE HBy A 83 PHE HE% 1.0 1.8 5.5 560 491 A 83 PHE HBx A 83 PHE HD% 1.0 1.8 5.5 561 492 A 84 VAL HA A 84 VAL HGx% 1.0 1.8 4.0 562 493 A 84 VAL HA A 84 VAL HGy% 1.0 1.8 4.0 563 494 A 84 VAL HA A 84 VAL H 1.0 1.8 5.0 564 495 A 84 VAL H A 84 VAL HB 1.0 1.8 4.0 565 496 A 84 VAL HGx% A 84 VAL H 1.0 1.8 4.0 566 497 A 84 VAL HGy% A 84 VAL H 1.0 1.8 4.0 567 498 A 85 PHE HA A 85 PHE H 1.0 1.8 5.0 568 499 A 85 PHE H A 85 PHE HBy 1.0 1.8 5.0 569 500 A 85 PHE H A 85 PHE HD% 1.0 1.8 5.5 570 501 A 85 PHE HA A 85 PHE HD% 1.0 1.8 5.5 571 502 A 85 PHE HBy A 85 PHE HD% 1.0 1.8 5.0 572 503 A 85 PHE HD% A 85 PHE HBx 1.0 1.8 5.5 573 504 A 85 PHE HD% A 85 PHE HZ 1.0 1.8 5.0 574 505 A 86 ILE HA A 86 ILE HD1% 1.0 1.8 5.0 575 506 A 86 ILE HA A 86 ILE HG1y 1.0 1.8 4.0 576 507 A 86 ILE HA A 86 ILE HG1x 1.0 1.8 4.0 577 508 A 86 ILE HD1% A 86 ILE HB 1.0 1.8 3.5 578 509 A 86 ILE HA A 86 ILE HG2% 1.0 1.8 3.5 579 510 A 86 ILE HA A 86 ILE H 1.0 1.8 5.0 580 511 A 86 ILE HB A 86 ILE H 1.0 1.8 4.0 581 512 A 86 ILE HD1% A 86 ILE H 1.0 1.8 5.5 582 513 A 86 ILE HG1y A 86 ILE H 1.0 1.8 4.0 583 514 A 86 ILE HG1x A 86 ILE H 1.0 1.8 5.0 584 515 A 86 ILE HG2% A 86 ILE H 1.0 1.8 5.0 585 516 A 87 LEU HA A 87 LEU HDy% 1.0 1.8 4.0 586 517 A 87 LEU HBy A 87 LEU HDx% 1.0 1.8 4.0 587 518 A 87 LEU HDx% A 87 LEU HBx 1.0 1.8 4.0 588 519 A 87 LEU HDy% A 87 LEU HBx 1.0 1.8 4.0 589 520 A 87 LEU HDy% A 87 LEU HBy 1.0 1.8 5.0 590 521 A 87 LEU HA A 87 LEU HDx% 1.0 1.8 5.0 591 522 A 87 LEU HA A 87 LEU HG 1.0 1.8 4.0 592 523 A 87 LEU HA A 87 LEU H 1.0 1.8 5.0 593 524 A 87 LEU HBy A 87 LEU H 1.0 1.8 4.0 594 525 A 87 LEU HBx A 87 LEU H 1.0 1.8 4.0 595 526 A 87 LEU HDx% A 87 LEU H 1.0 1.8 5.5 596 527 A 87 LEU HDy% A 87 LEU H 1.0 1.8 5.0 597 528 A 87 LEU HG A 87 LEU H 1.0 1.8 4.0 598 529 A 88 GLU HA A 88 GLU HGy 1.0 1.8 3.5 599 530 A 88 GLU HA A 88 GLU HGx 1.0 1.8 4.0 600 531 A 88 GLU HA A 88 GLU H 1.0 1.8 5.0 601 532 A 88 GLU H A 88 GLU HBx 1.0 1.8 3.5 602 532 A 88 GLU H A 88 GLU HBy 1.0 1.8 3.5 603 533 A 88 GLU HGy A 88 GLU H 1.0 1.8 4.0 604 534 A 88 GLU HGx A 88 GLU H 1.0 1.8 5.0 605 535 A 89 PRO HBy A 89 PRO HD2 1.0 1.8 4.0 606 535 A 89 PRO HBy A 89 PRO HD3 1.0 1.8 4.0 607 536 A 89 PRO HBx A 89 PRO HD2 1.0 1.8 3.5 608 536 A 89 PRO HD3 A 89 PRO HBx 1.0 1.8 3.5 609 537 A 89 PRO HA A 89 PRO HG2 1.0 1.8 3.5 610 537 A 89 PRO HA A 89 PRO HG3 1.0 1.8 3.5 611 538 A 90 LYS HA A 90 LYS HE3 1.0 1.8 5.0 612 539 A 90 LYS HA A 90 LYS HGy 1.0 1.8 5.0 613 540 A 90 LYS HE3 A 90 LYS HBy 1.0 1.8 4.0 614 541 A 90 LYS HBx A 90 LYS HDy 1.0 1.8 4.0 615 542 A 90 LYS HBx A 90 LYS HDx 1.0 1.8 4.0 616 543 A 90 LYS HE3 A 90 LYS HBx 1.0 1.8 5.0 617 544 A 90 LYS HBy A 90 LYS HDx 1.0 1.8 4.0 618 545 A 90 LYS HBy A 90 LYS HE2 1.0 1.8 6.0 619 546 A 90 LYS HGy A 90 LYS HE2 1.0 1.8 5.0 620 547 A 90 LYS HE2 A 90 LYS HGx 1.0 1.8 5.0 621 548 A 90 LYS HE3 A 90 LYS HGy 1.0 1.8 4.0 622 549 A 90 LYS HE3 A 90 LYS HGx 1.0 1.8 4.0 623 550 A 90 LYS HA A 90 LYS HDy 1.0 1.8 5.0 624 551 A 90 LYS HA A 90 LYS HDx 1.0 1.8 5.0 625 552 A 90 LYS HA A 90 LYS HE2 1.0 1.8 5.0 626 553 A 90 LYS HA A 90 LYS HGx 1.0 1.8 3.5 627 554 A 90 LYS HBx A 90 LYS HE2 1.0 1.8 6.0 628 555 A 90 LYS HA A 90 LYS H 1.0 1.8 5.0 629 556 A 90 LYS HBy A 90 LYS H 1.0 1.8 4.0 630 557 A 90 LYS HBx A 90 LYS H 1.0 1.8 4.0 631 558 A 90 LYS HGy A 90 LYS H 1.0 1.8 5.0 632 559 A 90 LYS HGx A 90 LYS H 1.0 1.8 5.0 633 560 A 91 GLN HA A 91 GLN HGy 1.0 1.8 4.0 634 561 A 91 GLN HA A 91 GLN HGx 1.0 1.8 4.0 635 562 A 91 GLN HA A 91 GLN H 1.0 1.8 4.0 636 563 A 91 GLN HBy A 91 GLN HE2y 1.0 1.8 5.0 637 564 A 91 GLN H A 91 GLN HBy 1.0 1.8 4.0 638 565 A 91 GLN HE2y A 91 GLN HBx 1.0 1.8 5.0 639 566 A 91 GLN H A 91 GLN HBx 1.0 1.8 4.0 640 567 A 91 GLN HGy A 91 GLN H 1.0 1.8 5.0 641 568 A 91 GLN HGx A 91 GLN HE2y 1.0 1.8 4.0 642 569 A 91 GLN HGx A 91 GLN H 1.0 1.8 5.0 643 570 A 92 GLN HA A 92 GLN HG2 1.0 1.8 4.0 644 570 A 92 GLN HA A 92 GLN HG3 1.0 1.8 4.0 645 571 A 92 GLN HA A 92 GLN H 1.0 1.8 4.0 646 572 A 92 GLN H A 92 GLN HB2 1.0 1.8 3.5 647 572 A 92 GLN H A 92 GLN HB3 1.0 1.8 3.5 648 573 A 92 GLN H A 92 GLN HG2 1.0 1.8 5.0 649 573 A 92 GLN HG3 A 92 GLN H 1.0 1.8 5.0 650 574 A 93 GLY HA3 A 93 GLY H 1.0 1.8 5.0 651 575 A 93 GLY H A 93 GLY HA2 1.0 1.8 5.0 652 576 A 94 ASP HA A 94 ASP H 1.0 1.8 4.0 653 577 A 94 ASP H A 94 ASP HBy 1.0 1.8 3.5 654 578 A 94 ASP H A 94 ASP HBx 1.0 1.8 3.5 655 579 A 95 PRO HBy A 95 PRO HDy 1.0 1.8 4.0 656 580 A 95 PRO HDy A 95 PRO HBx 1.0 1.8 4.0 657 581 A 95 PRO HBy A 95 PRO HDx 1.0 1.8 4.0 658 582 A 95 PRO HBx A 95 PRO HDx 1.0 1.8 5.0 659 583 A 95 PRO HA A 95 PRO HGx 1.0 1.8 4.0 660 584 A 96 PRO HA A 96 PRO HGy 1.0 1.8 4.0 661 585 A 96 PRO HA A 96 PRO HGx 1.0 1.8 4.0 662 586 A 96 PRO HBx A 96 PRO HDy 1.0 1.8 5.0 663 587 A 96 PRO HA A 96 PRO HDx 1.0 1.8 5.0 664 588 A 96 PRO HDx A 96 PRO HBy 1.0 1.8 5.0 665 589 A 96 PRO HBx A 96 PRO HDx 1.0 1.8 4.0 666 590 A 96 PRO HDy A 96 PRO HBy 1.0 1.8 4.0 667 591 A 97 VAL HA A 97 VAL HGx% 1.0 1.8 4.0 668 592 A 97 VAL HA A 97 VAL HGy% 1.0 1.8 4.0 669 593 A 97 VAL HA A 97 VAL H 1.0 1.8 5.0 670 594 A 97 VAL H A 97 VAL HB 1.0 1.8 4.0 671 595 A 97 VAL HGx% A 97 VAL H 1.0 1.8 5.5 672 596 A 97 VAL HGy% A 97 VAL H 1.0 1.8 5.0 673 597 A 98 GLU HA A 98 GLU HGy 1.0 1.8 4.0 674 598 A 98 GLU HA A 98 GLU HGx 1.0 1.8 4.0 675 599 A 98 GLU HA A 98 GLU H 1.0 1.8 5.0 676 600 A 98 GLU H A 98 GLU HBy 1.0 1.8 4.0 677 601 A 98 GLU H A 98 GLU HBx 1.0 1.8 4.0 678 602 A 98 GLU HGy A 98 GLU H 1.0 1.8 4.0 679 603 A 98 GLU HGx A 98 GLU H 1.0 1.8 4.0 680 604 A 99 PHE HA A 99 PHE H 1.0 1.8 5.0 681 605 A 99 PHE H A 99 PHE HBy 1.0 1.8 4.0 682 606 A 99 PHE H A 99 PHE HBx 1.0 1.8 5.0 683 607 A 99 PHE H A 99 PHE HD% 1.0 1.8 5.5 684 608 A 99 PHE HA A 99 PHE HD% 1.0 1.8 5.5 685 609 A 99 PHE HBy A 99 PHE HD% 1.0 1.8 4.0 686 610 A 99 PHE HBx A 99 PHE HD% 1.0 1.8 5.5 687 611 A 100 ALA HA A 100 ALA H 1.0 1.8 5.0 688 612 A 100 ALA H A 100 ALA HB% 1.0 1.8 5.5 689 613 A 101 THR HA A 101 THR HG2% 1.0 1.8 4.0 690 614 A 101 THR HA A 101 THR H 1.0 1.8 5.0 691 615 A 101 THR H A 101 THR HG1 1.0 1.8 5.0 692 616 A 101 THR HG2% A 101 THR H 1.0 1.8 5.0 693 617 A 102 ASP HA A 102 ASP H 1.0 1.8 5.0 694 618 A 102 ASP H A 102 ASP HBy 1.0 1.8 4.0 695 619 A 102 ASP H A 102 ASP HBx 1.0 1.8 3.5 696 620 A 103 ARG HA A 103 ARG HD2 1.0 1.8 5.0 697 620 A 103 ARG HA A 103 ARG HD3 1.0 1.8 5.0 698 621 A 103 ARG HA A 103 ARG HGx 1.0 1.8 4.0 699 622 A 103 ARG HBy A 103 ARG HD2 1.0 1.8 4.0 700 622 A 103 ARG HD3 A 103 ARG HBy 1.0 1.8 4.0 701 623 A 103 ARG HBx A 103 ARG HD2 1.0 1.8 4.0 702 623 A 103 ARG HD3 A 103 ARG HBx 1.0 1.8 4.0 703 624 A 103 ARG HA A 103 ARG HGy 1.0 1.8 3.5 704 625 A 103 ARG HA A 103 ARG H 1.0 1.8 3.0 705 626 A 103 ARG HBy A 103 ARG H 1.0 1.8 4.0 706 627 A 103 ARG HBx A 103 ARG H 1.0 1.8 4.0 707 628 A 103 ARG H A 103 ARG HD2 1.0 1.8 5.0 708 628 A 103 ARG HD3 A 103 ARG H 1.0 1.8 5.0 709 629 A 103 ARG HGy A 103 ARG H 1.0 1.8 4.0 710 630 A 104 VAL HA A 104 VAL HGx% 1.0 1.8 5.0 711 631 A 104 VAL HA A 104 VAL HGy% 1.0 1.8 4.0 712 632 A 104 VAL HA A 104 VAL HGx% 1.0 1.8 3.5 713 632 A 104 VAL HA A 104 VAL HGy% 1.0 1.8 3.5 714 633 A 104 VAL HA A 104 VAL H 1.0 1.8 5.0 715 634 A 104 VAL H A 104 VAL HB 1.0 1.8 4.0 716 635 A 104 VAL H A 104 VAL HGx% 1.0 1.8 5.0 717 635 A 104 VAL HGy% A 104 VAL H 1.0 1.8 5.0 718 636 A 105 GLU HA A 105 GLU HGy 1.0 1.8 3.5 719 637 A 105 GLU HA A 105 GLU HGx 1.0 1.8 4.0 720 638 A 105 GLU HA A 105 GLU H 1.0 1.8 4.0 721 639 A 105 GLU H A 105 GLU HBy 1.0 1.8 4.0 722 640 A 105 GLU H A 105 GLU HBx 1.0 1.8 4.0 723 641 A 105 GLU HGy A 105 GLU H 1.0 1.8 4.0 724 642 A 105 GLU HGx A 105 GLU H 1.0 1.8 5.0 725 643 A 106 GLU HA A 106 GLU HGy 1.0 1.8 4.0 726 644 A 106 GLU HA A 106 GLU HGx 1.0 1.8 3.5 727 645 A 106 GLU HA A 106 GLU H 1.0 1.8 5.0 728 646 A 106 GLU H A 106 GLU HBy 1.0 1.8 4.0 729 647 A 106 GLU H A 106 GLU HBx 1.0 1.8 4.0 730 648 A 106 GLU HGx A 106 GLU H 1.0 1.8 4.0 731 649 A 107 LEU HBy A 107 LEU HDx% 1.0 1.8 4.0 732 650 A 107 LEU HBy A 107 LEU HDy% 1.0 1.8 4.0 733 651 A 107 LEU HDx% A 107 LEU HBx 1.0 1.8 4.0 734 652 A 107 LEU HDy% A 107 LEU HBx 1.0 1.8 4.0 735 653 A 107 LEU HDx% A 107 LEU HA 1.0 1.8 4.0 736 654 A 107 LEU HDy% A 107 LEU HA 1.0 1.8 3.5 737 655 A 107 LEU HA A 107 LEU HG 1.0 1.8 3.5 738 656 A 107 LEU HA A 107 LEU H 1.0 1.8 5.0 739 657 A 107 LEU HBy A 107 LEU H 1.0 1.8 4.0 740 658 A 107 LEU HBx A 107 LEU H 1.0 1.8 4.0 741 659 A 107 LEU HDx% A 107 LEU H 1.0 1.8 5.5 742 660 A 107 LEU HDy% A 107 LEU H 1.0 1.8 5.5 743 661 A 107 LEU HG A 107 LEU H 1.0 1.8 5.0 744 662 A 108 PHE HA A 108 PHE H 1.0 1.8 4.0 745 663 A 108 PHE H A 108 PHE HBy 1.0 1.8 4.0 746 664 A 108 PHE H A 108 PHE HBx 1.0 1.8 4.0 747 665 A 108 PHE H A 108 PHE HD% 1.0 1.8 5.0 748 666 A 108 PHE HA A 108 PHE HD% 1.0 1.8 5.5 749 667 A 108 PHE HBy A 108 PHE HD% 1.0 1.8 5.5 750 668 A 108 PHE HBx A 108 PHE HD% 1.0 1.8 5.5 751 669 A 109 GLU HA A 109 GLU HGy 1.0 1.8 4.0 752 670 A 109 GLU HA A 109 GLU HGx 1.0 1.8 4.0 753 671 A 109 GLU HA A 109 GLU H 1.0 1.8 4.0 754 672 A 109 GLU H A 109 GLU HBy 1.0 1.8 4.0 755 673 A 109 GLU H A 109 GLU HBx 1.0 1.8 4.0 756 674 A 109 GLU HGy A 109 GLU H 1.0 1.8 5.0 757 675 A 109 GLU HGx A 109 GLU H 1.0 1.8 5.0 758 676 A 110 TRP HA A 110 TRP H 1.0 1.8 5.0 759 677 A 110 TRP HBy A 110 TRP HE1 1.0 1.8 5.5 760 678 A 110 TRP H A 110 TRP HBy 1.0 1.8 4.0 761 679 A 110 TRP HE1 A 110 TRP HBx 1.0 1.7 5.4 762 680 A 110 TRP H A 110 TRP HBx 1.0 1.8 4.0 763 681 A 110 TRP H A 110 TRP HD1 1.0 1.8 5.0 764 682 A 110 TRP HA A 110 TRP HE3 1.0 1.8 5.0 765 683 A 110 TRP HBy A 110 TRP HD1 1.0 1.8 5.0 766 684 A 110 TRP HBx A 110 TRP HD1 1.0 1.8 5.0 767 685 A 110 TRP HE3 A 110 TRP HH2 1.0 1.8 5.0 768 686 A 111 PHE HA A 111 PHE H 1.0 1.8 5.0 769 687 A 111 PHE H A 111 PHE HBy 1.0 1.8 4.0 770 688 A 111 PHE H A 111 PHE HBx 1.0 1.8 3.5 771 689 A 111 PHE H A 111 PHE HD% 1.0 1.8 5.5 772 690 A 111 PHE HA A 111 PHE HD% 1.0 1.8 5.5 773 691 A 111 PHE HBy A 111 PHE HD% 1.0 1.8 5.5 774 692 A 111 PHE HBx A 111 PHE HD% 1.0 1.8 5.5 775 693 A 112 GLN HA A 112 GLN HG2 1.0 1.8 3.5 776 693 A 112 GLN HA A 112 GLN HG3 1.0 1.8 3.5 777 694 A 112 GLN HA A 112 GLN H 1.0 1.8 4.0 778 695 A 112 GLN HBy A 112 GLN HE2y 1.0 1.8 5.0 779 696 A 112 GLN H A 112 GLN HBy 1.0 1.8 4.0 780 697 A 112 GLN HE2y A 112 GLN HBx 1.0 1.8 5.0 781 698 A 112 GLN H A 112 GLN HBx 1.0 1.8 4.0 782 699 A 112 GLN HE2x A 112 GLN HG2 1.0 1.8 5.0 783 699 A 112 GLN HG3 A 112 GLN HE2x 1.0 1.8 5.0 784 700 A 112 GLN HE2y A 112 GLN HG2 1.0 1.8 4.0 785 700 A 112 GLN HG3 A 112 GLN HE2y 1.0 1.8 4.0 786 701 A 112 GLN H A 112 GLN HG2 1.0 1.8 4.0 787 701 A 112 GLN HG3 A 112 GLN H 1.0 1.8 4.0 788 702 A 113 SER HA A 113 SER H 1.0 1.8 4.0 789 703 A 113 SER H A 113 SER HBy 1.0 1.8 4.0 790 704 A 113 SER H A 113 SER HBx 1.0 1.8 4.0 791 705 A 114 ILE HA A 114 ILE HG1x 1.0 1.8 4.0 792 706 A 114 ILE HB A 114 ILE HD1% 1.0 1.8 4.0 793 707 A 114 ILE HA A 114 ILE HD1% 1.0 1.8 5.0 794 708 A 114 ILE HA A 114 ILE HG1y 1.0 1.8 3.0 795 709 A 114 ILE HA A 114 ILE HG2% 1.0 1.8 3.5 796 710 A 114 ILE HA A 114 ILE H 1.0 1.8 4.0 797 711 A 114 ILE HB A 114 ILE H 1.0 1.8 4.0 798 712 A 114 ILE HD1% A 114 ILE H 1.0 1.8 5.0 799 713 A 114 ILE HG1y A 114 ILE H 1.0 1.8 4.0 800 714 A 114 ILE HG1x A 114 ILE H 1.0 1.8 4.0 801 715 A 114 ILE HG2% A 114 ILE H 1.0 1.8 5.0 802 716 A 115 ARG HA A 115 ARG HDy 1.0 1.8 5.0 803 717 A 115 ARG HA A 115 ARG HDx 1.0 1.8 5.0 804 718 A 115 ARG HA A 115 ARG HG2 1.0 1.8 3.5 805 718 A 115 ARG HA A 115 ARG HG3 1.0 1.8 3.5 806 719 A 115 ARG HBy A 115 ARG HDy 1.0 1.8 3.0 807 720 A 115 ARG HBy A 115 ARG HDx 1.0 1.8 3.0 808 721 A 115 ARG HBx A 115 ARG HDy 1.0 1.8 4.0 809 722 A 115 ARG HBx A 115 ARG HDx 1.0 1.8 4.0 810 723 A 115 ARG HA A 115 ARG H 1.0 1.8 4.0 811 724 A 115 ARG HBy A 115 ARG H 1.0 1.8 4.0 812 725 A 115 ARG HBx A 115 ARG H 1.0 1.8 4.0 813 726 A 115 ARG H A 115 ARG HDx 1.0 1.8 5.0 814 726 A 115 ARG H A 115 ARG HDy 1.0 1.8 5.0 815 727 A 116 GLU HA A 116 GLU HGy 1.0 1.8 3.0 816 728 A 116 GLU HA A 116 GLU HGx 1.0 1.8 3.5 817 729 A 116 GLU HA A 116 GLU H 1.0 1.8 3.5 818 730 A 116 GLU H A 116 GLU HBy 1.0 1.8 4.0 819 731 A 116 GLU H A 116 GLU HBx 1.0 1.8 4.0 820 732 A 116 GLU HGy A 116 GLU H 1.0 1.8 5.0 821 733 A 116 GLU HGx A 116 GLU H 1.0 1.8 4.0 822 734 A 117 ILE HA A 117 ILE HD1% 1.0 1.8 4.0 823 735 A 117 ILE HA A 117 ILE HG1y 1.0 1.8 3.5 824 736 A 117 ILE HD1% A 117 ILE HB 1.0 1.8 4.0 825 737 A 117 ILE HA A 117 ILE HG1x 1.0 1.8 3.5 826 738 A 117 ILE HA A 117 ILE HG2% 1.0 1.8 3.5 827 739 A 117 ILE HA A 117 ILE H 1.0 1.8 4.0 828 740 A 117 ILE HB A 117 ILE H 1.0 1.8 4.0 829 741 A 117 ILE HG1y A 117 ILE H 1.0 1.8 4.0 830 742 A 117 ILE HG1x A 117 ILE H 1.0 1.8 4.0 831 743 A 117 ILE HG2% A 117 ILE H 1.0 1.8 5.0 832 744 A 118 THR HA A 118 THR HG2% 1.0 1.8 4.0 833 745 A 118 THR HA A 118 THR H 1.0 1.8 5.0 834 746 A 118 THR H A 118 THR HB 1.0 1.8 5.0 835 747 A 118 THR HG2% A 118 THR H 1.0 1.8 5.0 836 748 A 119 TRP HA A 119 TRP H 1.0 1.8 3.0 837 749 A 119 TRP H A 119 TRP HBy 1.0 1.8 4.0 838 750 A 119 TRP H A 119 TRP HBx 1.0 1.8 4.0 839 751 A 119 TRP H A 119 TRP HD1 1.0 1.8 5.0 840 752 A 119 TRP HA A 119 TRP HD1 1.0 1.8 5.0 841 753 A 119 TRP HA A 119 TRP HE3 1.0 1.8 5.0 842 754 A 119 TRP HBy A 119 TRP HD1 1.0 1.8 5.0 843 755 A 119 TRP HBy A 119 TRP HE3 1.0 1.8 5.0 844 756 A 119 TRP HBx A 119 TRP HD1 1.0 1.8 5.0 845 757 A 120 LYS HE2 A 120 LYS HGy 1.0 1.8 4.0 846 757 A 120 LYS HE3 A 120 LYS HGy 1.0 1.8 4.0 847 758 A 120 LYS HA A 120 LYS HGy 1.0 1.8 4.0 848 759 A 120 LYS HA A 120 LYS HGx 1.0 1.8 4.0 849 760 A 120 LYS HA A 120 LYS H 1.0 1.8 4.0 850 761 A 120 LYS H A 120 LYS HBy 1.0 1.8 4.0 851 762 A 120 LYS H A 120 LYS HBx 1.0 1.8 4.0 852 763 A 120 LYS H A 120 LYS HGy 1.0 1.8 5.0 853 763 A 120 LYS H A 120 LYS HGx 1.0 1.8 5.0 854 764 A 121 ILE HA A 121 ILE HD1% 1.0 1.8 5.5 855 765 A 121 ILE HD1% A 121 ILE HB 1.0 1.8 5.5 856 766 A 121 ILE HA A 121 ILE HG1y 1.0 1.8 5.0 857 767 A 121 ILE HA A 121 ILE HG1x 1.0 1.8 5.0 858 768 A 121 ILE HA A 121 ILE HG2% 1.0 1.8 4.0 859 769 A 121 ILE HA A 121 ILE H 1.0 1.8 3.0 860 770 A 121 ILE HB A 121 ILE H 1.0 1.8 4.0 861 771 A 121 ILE HG1y A 121 ILE H 1.0 1.8 5.0 862 772 A 121 ILE HG1x A 121 ILE H 1.0 1.8 4.0 863 773 A 121 ILE HG2% A 121 ILE H 1.0 1.8 5.5 864 774 A 122 ASP HA A 122 ASP H 1.0 1.8 3.0 865 775 A 122 ASP H A 122 ASP HBy 1.0 1.8 4.0 866 776 A 122 ASP H A 122 ASP HBx 1.0 1.8 5.0 867 777 A 123 THR HA A 123 THR HG2% 1.0 1.8 3.5 868 778 A 123 THR HA A 123 THR H 1.0 1.8 3.5 869 779 A 123 THR H A 123 THR HB 1.0 1.8 4.0 870 780 A 123 THR HG2% A 123 THR H 1.0 1.8 5.5 871 781 A 124 LYS HA A 124 LYS HD2 1.0 1.8 5.0 872 781 A 124 LYS HA A 124 LYS HD3 1.0 1.8 5.0 873 782 A 124 LYS HA A 124 LYS HG2 1.0 1.8 5.0 874 782 A 124 LYS HA A 124 LYS HG3 1.0 1.8 5.0 875 783 A 124 LYS HA A 124 LYS H 1.0 1.8 5.0 876 784 A 124 LYS H A 124 LYS HBy 1.0 1.8 5.0 877 785 A 124 LYS H A 124 LYS HBx 1.0 1.8 5.0 878 786 A 124 LYS H A 124 LYS HG2 1.0 1.8 5.0 879 786 A 124 LYS HG3 A 124 LYS H 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type 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 9 LYS H A 8 LYS HA 1.0 1.8 3.0 2 2 A 9 LYS HA A 10 ASP H 1.0 1.8 3.0 3 3 A 10 ASP HA A 11 GLU H 1.0 1.8 3.5 4 4 A 10 ASP HBy A 11 GLU H 1.0 1.8 5.0 5 5 A 10 ASP HBx A 11 GLU H 1.0 1.8 5.0 6 6 A 11 GLU HA A 12 HIS H 1.0 1.8 3.5 7 7 A 12 HIS HA A 13 LYS HBy 1.0 1.8 5.0 8 8 A 12 HIS HA A 13 LYS H 1.0 1.8 3.5 9 9 A 13 LYS H A 12 HIS HBy 1.0 1.8 5.0 10 9 A 12 HIS HBx A 13 LYS H 1.0 1.8 5.0 11 10 A 13 LYS HA A 14 GLN H 1.0 1.8 3.0 12 11 A 14 GLN HA A 15 GLN H 1.0 1.8 3.0 13 12 A 14 GLN HBy A 15 GLN H 1.0 1.8 5.0 14 13 A 14 GLN HBx A 15 GLN H 1.0 1.8 5.0 15 14 A 15 GLN H A 14 GLN HE2x 1.0 1.8 5.5 16 15 A 14 GLN HE2y A 15 GLN H 1.0 1.8 5.5 17 16 A 14 GLN HGy A 15 GLN H 1.0 1.8 5.0 18 17 A 14 GLN H A 15 GLN H 1.0 1.8 5.0 19 18 A 15 GLN HA A 16 GLY H 1.0 1.8 4.0 20 19 A 15 GLN HBy A 16 GLY H 1.0 1.8 4.0 21 20 A 15 GLN HBx A 16 GLY H 1.0 1.8 4.0 22 21 A 15 GLN H A 16 GLY H 1.0 1.8 5.0 23 22 A 16 GLY HA3 A 17 GLU H 1.0 1.8 4.0 24 23 A 16 GLY HA2 A 17 GLU H 1.0 1.8 4.0 25 24 A 17 GLU HA A 18 LEU H 1.0 1.8 3.5 26 25 A 17 GLU HBy A 18 LEU H 1.0 1.8 4.0 27 26 A 17 GLU HBx A 18 LEU H 1.0 1.8 5.0 28 27 A 17 GLU HGy A 18 LEU H 1.0 1.8 5.0 29 28 A 18 LEU HA A 19 TYR H 1.0 1.8 3.5 30 29 A 18 LEU HBy A 19 TYR H 1.0 1.8 5.0 31 30 A 18 LEU HBx A 19 TYR H 1.0 1.8 5.0 32 31 A 18 LEU HDx% A 19 TYR H 1.0 1.8 5.5 33 32 A 18 LEU HDy% A 19 TYR H 1.0 1.8 5.5 34 33 A 18 LEU HG A 19 TYR H 1.0 1.8 5.0 35 34 A 19 TYR HA A 20 MET H 1.0 1.8 4.0 36 35 A 19 TYR HBy A 20 MET H 1.0 1.8 5.0 37 36 A 19 TYR HBx A 20 MET H 1.0 1.8 5.0 38 37 A 19 TYR HD% A 20 MET H 1.0 1.8 5.5 39 38 A 19 TYR H A 20 MET H 1.0 1.8 5.0 40 39 A 19 TYR HD% A 20 MET HGy 1.0 1.8 6.0 41 40 A 20 MET HA A 21 TRP H 1.0 1.8 4.0 42 41 A 20 MET HBx A 21 TRP H 1.0 1.8 5.0 43 42 A 20 MET HGy A 21 TRP H 1.0 1.8 5.0 44 43 A 20 MET HGx A 21 TRP H 1.0 1.8 5.0 45 44 A 21 TRP HA A 22 ASP H 1.0 1.8 3.5 46 45 A 21 TRP HBy A 22 ASP H 1.0 1.8 5.0 47 46 A 22 ASP HA A 23 SER H 1.0 1.8 3.0 48 47 A 22 ASP HBy A 23 SER H 1.0 1.8 5.0 49 48 A 22 ASP HBx A 23 SER H 1.0 1.8 5.0 50 49 A 22 ASP H A 23 SER H 1.0 1.8 5.0 51 50 A 23 SER HA A 24 ILE H 1.0 1.8 5.0 52 51 A 23 SER HBx A 24 ILE H 1.0 1.8 5.0 53 52 A 23 SER H A 24 ILE H 1.0 1.8 3.5 54 53 A 24 ILE HG2% A 25 ASP HBy 1.0 1.8 5.5 55 54 A 24 ILE HG2% A 25 ASP HBx 1.0 1.8 6.5 56 55 A 24 ILE HG2% A 25 ASP HA 1.0 1.8 5.5 57 56 A 24 ILE HA A 25 ASP H 1.0 1.8 5.0 58 57 A 24 ILE HB A 25 ASP H 1.0 1.8 3.0 59 58 A 24 ILE HG1y A 25 ASP H 1.0 1.8 5.0 60 59 A 24 ILE HG1x A 25 ASP H 1.0 1.8 5.0 61 60 A 24 ILE HG2% A 25 ASP H 1.0 1.8 5.0 62 61 A 24 ILE H A 25 ASP H 1.0 1.8 3.5 63 62 A 25 ASP HA A 26 GLN H 1.0 1.8 5.0 64 63 A 25 ASP HBx A 26 GLN H 1.0 1.8 5.0 65 64 A 25 ASP H A 26 GLN H 1.0 1.8 4.0 66 65 A 25 ASP H A 26 GLN HA 1.0 1.8 5.0 67 66 A 26 GLN HA A 27 LYS H 1.0 1.8 4.0 68 67 A 26 GLN HBy A 27 LYS H 1.0 1.8 5.0 69 68 A 26 GLN H A 27 LYS H 1.0 1.8 4.0 70 69 A 26 GLN H A 27 LYS HG2 1.0 1.8 5.0 71 69 A 26 GLN H A 27 LYS HG3 1.0 1.8 5.0 72 70 A 27 LYS HA A 28 TRP H 1.0 1.8 3.0 73 71 A 28 TRP H A 27 LYS HB2 1.0 1.8 3.5 74 71 A 27 LYS HB3 A 28 TRP H 1.0 1.8 3.5 75 72 A 28 TRP H A 27 LYS HG2 1.0 1.8 4.0 76 72 A 27 LYS HG3 A 28 TRP H 1.0 1.8 4.0 77 73 A 27 LYS H A 28 TRP H 1.0 1.8 5.0 78 74 A 27 LYS HA A 28 TRP HD1 1.0 1.8 5.0 79 75 A 28 TRP HA A 29 THR HA 1.0 1.8 5.0 80 76 A 28 TRP HA A 29 THR HG2% 1.0 1.8 6.5 81 77 A 28 TRP HA A 29 THR H 1.0 1.8 3.5 82 78 A 29 THR H A 28 TRP HB2 1.0 1.8 5.0 83 78 A 28 TRP HB3 A 29 THR H 1.0 1.8 5.0 84 79 A 28 TRP HE3 A 29 THR H 1.0 1.8 5.0 85 80 A 28 TRP H A 29 THR H 1.0 1.8 5.0 86 81 A 29 THR HA A 30 ARG H 1.0 1.8 3.5 87 82 A 29 THR HG2% A 30 ARG H 1.0 1.8 5.5 88 83 A 30 ARG HA A 31 HIS H 1.0 1.8 4.0 89 84 A 30 ARG HBy A 31 HIS H 1.0 1.8 5.0 90 85 A 30 ARG HBx A 31 HIS H 1.0 1.8 5.0 91 86 A 31 HIS H A 30 ARG HDx 1.0 1.8 5.0 92 86 A 31 HIS H A 30 ARG HDy 1.0 1.8 5.0 93 87 A 30 ARG HGy A 31 HIS H 1.0 1.8 5.0 94 88 A 31 HIS HA A 32 TYR H 1.0 1.8 4.0 95 89 A 31 HIS HBy A 32 TYR H 1.0 1.8 5.0 96 90 A 31 HIS HBx A 32 TYR H 1.0 1.8 5.0 97 91 A 31 HIS H A 32 TYR H 1.0 1.8 5.0 98 92 A 32 TYR HA A 33 CYS H 1.0 1.8 3.5 99 93 A 33 CYS H A 32 TYR HBy 1.0 1.8 5.0 100 94 A 32 TYR HBx A 33 CYS H 1.0 1.8 5.0 101 95 A 32 TYR HD% A 33 CYS H 1.0 1.8 5.5 102 96 A 33 CYS HA A 34 ALA HB% 1.0 1.8 6.5 103 97 A 33 CYS HA A 34 ALA H 1.0 1.8 3.5 104 98 A 34 ALA H A 33 CYS HBy 1.0 1.8 4.0 105 98 A 33 CYS HBx A 34 ALA H 1.0 1.8 4.0 106 99 A 34 ALA HA A 35 ILE H 1.0 1.8 3.5 107 100 A 34 ALA HB% A 35 ILE H 1.0 1.8 5.0 108 101 A 35 ILE HG2% A 36 ALA HB% 1.0 1.8 5.5 109 102 A 35 ILE HG2% A 36 ALA HA 1.0 1.8 5.0 110 103 A 35 ILE HA A 36 ALA HB% 1.0 1.8 5.5 111 104 A 35 ILE HA A 36 ALA H 1.0 1.8 3.5 112 105 A 35 ILE HB A 36 ALA H 1.0 1.8 5.0 113 106 A 35 ILE HG1y A 36 ALA H 1.0 1.8 5.0 114 107 A 35 ILE HG1x A 36 ALA H 1.0 1.8 5.0 115 108 A 35 ILE HG2% A 36 ALA H 1.0 1.8 5.0 116 109 A 35 ILE H A 36 ALA H 1.0 1.8 5.0 117 110 A 36 ALA HB% A 37 ASP HBy 1.0 1.8 5.5 118 111 A 36 ALA HB% A 37 ASP HBx 1.0 1.8 5.5 119 112 A 36 ALA HB% A 37 ASP HA 1.0 1.8 5.0 120 113 A 36 ALA HA A 37 ASP H 1.0 1.8 4.0 121 114 A 36 ALA HB% A 37 ASP H 1.0 1.8 5.5 122 115 A 37 ASP HBx A 38 ALA HB% 1.0 1.8 5.5 123 116 A 37 ASP HA A 38 ALA HB% 1.0 1.8 5.0 124 117 A 37 ASP HA A 38 ALA H 1.0 1.8 5.0 125 118 A 37 ASP HBy A 38 ALA H 1.0 1.8 5.0 126 119 A 37 ASP HBx A 38 ALA H 1.0 1.8 5.0 127 120 A 37 ASP H A 38 ALA H 1.0 1.8 5.0 128 121 A 38 ALA HB% A 39 LYS HE2 1.0 1.8 6.5 129 121 A 38 ALA HB% A 39 LYS HE3 1.0 1.8 6.5 130 122 A 38 ALA HA A 39 LYS H 1.0 1.8 5.0 131 123 A 38 ALA HB% A 39 LYS H 1.0 1.8 5.0 132 124 A 38 ALA H A 39 LYS H 1.0 1.8 4.0 133 125 A 39 LYS HA A 40 LEU H 1.0 1.8 3.0 134 126 A 39 LYS H A 40 LEU H 1.0 1.8 5.0 135 127 A 40 LEU HDy% A 41 SER HA 1.0 1.8 6.5 136 128 A 40 LEU HA A 41 SER H 1.0 1.8 3.5 137 129 A 40 LEU HBy A 41 SER H 1.0 1.8 5.0 138 130 A 40 LEU HBx A 41 SER H 1.0 1.8 5.0 139 131 A 41 SER H A 40 LEU HDx% 1.0 1.8 5.0 140 131 A 40 LEU HDy% A 41 SER H 1.0 1.8 5.0 141 132 A 40 LEU HG A 41 SER H 1.0 1.8 5.0 142 133 A 41 SER HA A 42 PHE H 1.0 1.8 3.5 143 134 A 41 SER HBy A 42 PHE H 1.0 1.8 5.0 144 135 A 41 SER HBx A 42 PHE H 1.0 1.8 5.0 145 136 A 41 SER H A 42 PHE H 1.0 1.8 5.0 146 137 A 42 PHE HA A 43 SER H 1.0 1.8 4.0 147 138 A 42 PHE HBy A 43 SER H 1.0 1.8 5.0 148 139 A 42 PHE HBx A 43 SER H 1.0 1.8 5.0 149 140 A 42 PHE HD% A 43 SER H 1.0 1.8 5.5 150 141 A 42 PHE H A 43 SER H 1.0 1.8 5.0 151 142 A 44 ASP HA A 43 SER HBx 1.0 1.8 6.0 152 143 A 43 SER HBy A 44 ASP H 1.0 1.8 4.0 153 144 A 44 ASP H A 43 SER HBx 1.0 1.8 5.0 154 145 A 44 ASP HA A 45 ASP HA 1.0 1.8 6.0 155 146 A 44 ASP HA A 45 ASP H 1.0 1.8 3.5 156 147 A 44 ASP HBx A 45 ASP H 1.0 1.8 4.0 157 148 A 45 ASP HA A 46 ILE HG2% 1.0 1.8 5.5 158 149 A 45 ASP HA A 46 ILE H 1.0 1.8 3.5 159 150 A 46 ILE HG1x A 47 GLU HGy 1.0 1.8 5.0 160 151 A 46 ILE HG1x A 47 GLU HGx 1.0 1.8 5.0 161 152 A 46 ILE HG2% A 47 GLU HGy 1.0 1.8 5.0 162 153 A 46 ILE HA A 47 GLU H 1.0 1.8 4.0 163 154 A 46 ILE HB A 47 GLU H 1.0 1.8 5.0 164 155 A 46 ILE HG2% A 47 GLU H 1.0 1.8 5.5 165 156 A 46 ILE H A 47 GLU H 1.0 1.8 4.0 166 157 A 47 GLU HA A 48 GLN H 1.0 1.8 4.0 167 158 A 47 GLU H A 48 GLN H 1.0 1.8 4.0 168 159 A 48 GLN HBy A 49 THR HG2% 1.0 1.8 6.0 169 160 A 48 GLN HBx A 49 THR HG2% 1.0 1.8 6.0 170 161 A 48 GLN HBy A 49 THR H 1.0 1.8 5.0 171 162 A 48 GLN HBx A 49 THR H 1.0 1.8 5.0 172 163 A 49 THR H A 48 GLN HG2 1.0 1.8 5.0 173 163 A 48 GLN HG3 A 49 THR H 1.0 1.8 5.0 174 164 A 48 GLN H A 49 THR HG2% 1.0 1.8 5.5 175 165 A 48 GLN H A 49 THR H 1.0 1.8 4.0 176 166 A 49 THR HG2% A 50 MET HA 1.0 1.8 6.5 177 167 A 49 THR HA A 50 MET H 1.0 1.8 3.5 178 168 A 49 THR HB A 50 MET H 1.0 1.8 3.5 179 169 A 49 THR HG2% A 50 MET H 1.0 1.8 5.5 180 170 A 49 THR H A 50 MET H 1.0 1.8 5.0 181 171 A 50 MET HA A 51 GLU H 1.0 1.8 3.5 182 172 A 51 GLU HA A 52 GLU H 1.0 1.8 3.0 183 173 A 52 GLU HA A 53 ASP H 1.0 1.8 3.5 184 174 A 52 GLU HB3 A 53 ASP H 1.0 1.8 3.5 185 175 A 52 GLU HB2 A 53 ASP H 1.0 1.8 3.5 186 176 A 53 ASP H A 52 GLU HG2 1.0 1.8 4.0 187 176 A 52 GLU HG3 A 53 ASP H 1.0 1.8 4.0 188 177 A 53 ASP HA A 54 ASN HA 1.0 1.8 6.0 189 178 A 53 ASP HA A 54 ASN H 1.0 1.8 3.5 190 179 A 53 ASP H A 54 ASN H 1.0 1.8 3.5 191 180 A 54 ASN HBx A 55 PRO HD2 1.0 1.8 5.0 192 180 A 54 ASN HBx A 55 PRO HD3 1.0 1.8 5.0 193 181 A 54 ASN HA A 55 PRO HA 1.0 1.8 6.0 194 182 A 54 ASN HA A 55 PRO HD2 1.0 1.8 3.0 195 182 A 54 ASN HA A 55 PRO HD3 1.0 1.8 3.0 196 183 A 54 ASN HBy A 55 PRO HD2 1.0 1.8 5.0 197 183 A 54 ASN HBy A 55 PRO HD3 1.0 1.8 5.0 198 184 A 54 ASN HA A 55 PRO HBx 1.0 1.8 6.0 199 185 A 54 ASN HA A 55 PRO HGy 1.0 1.8 6.0 200 186 A 54 ASN HA A 55 PRO HGx 1.0 1.8 6.0 201 187 A 54 ASN H A 55 PRO HD2 1.0 1.8 5.0 202 187 A 54 ASN H A 55 PRO HD3 1.0 1.8 5.0 203 188 A 54 ASN H A 55 PRO HGx 1.0 1.8 5.0 204 189 A 55 PRO HA A 56 LEU H 1.0 1.8 3.5 205 190 A 55 PRO HBy A 56 LEU H 1.0 1.8 4.0 206 191 A 55 PRO HBx A 56 LEU H 1.0 1.8 5.0 207 192 A 56 LEU H A 55 PRO HD2 1.0 1.8 5.0 208 192 A 55 PRO HD3 A 56 LEU H 1.0 1.8 5.0 209 193 A 56 LEU HBx A 57 GLY HA2 1.0 1.8 5.0 210 193 A 56 LEU HBx A 57 GLY HA3 1.0 1.8 5.0 211 194 A 57 GLY HA3 A 56 LEU HDx% 1.0 1.8 5.5 212 194 A 56 LEU HDx% A 57 GLY HA2 1.0 1.8 5.5 213 195 A 56 LEU HDy% A 57 GLY HA3 1.0 1.8 5.5 214 195 A 56 LEU HDy% A 57 GLY HA2 1.0 1.8 5.5 215 196 A 56 LEU HG A 57 GLY HA2 1.0 1.8 5.0 216 196 A 56 LEU HG A 57 GLY HA3 1.0 1.8 5.0 217 197 A 56 LEU HA A 57 GLY H 1.0 1.8 4.0 218 198 A 56 LEU HBy A 57 GLY H 1.0 1.8 5.0 219 199 A 56 LEU HBx A 57 GLY H 1.0 1.8 5.0 220 200 A 57 GLY H A 56 LEU HDx% 1.0 1.8 5.0 221 200 A 56 LEU HDy% A 57 GLY H 1.0 1.8 5.0 222 201 A 58 SER HA A 59 LEU H 1.0 1.8 3.0 223 202 A 60 CYS HBx A 59 LEU HDy% 1.0 1.8 6.5 224 203 A 60 CYS HA A 59 LEU HDx% 1.0 1.8 5.5 225 204 A 60 CYS HA A 59 LEU HDy% 1.0 1.8 5.5 226 205 A 59 LEU HBy A 60 CYS H 1.0 1.8 4.0 227 206 A 60 CYS H A 59 LEU HDx% 1.0 1.8 5.5 228 207 A 60 CYS HA A 61 ARG H 1.0 1.8 3.5 229 208 A 61 ARG H A 60 CYS HBy 1.0 1.8 5.0 230 208 A 60 CYS HBx A 61 ARG H 1.0 1.8 5.0 231 209 A 60 CYS H A 61 ARG H 1.0 1.8 5.0 232 210 A 61 ARG HA A 62 GLY H 1.0 1.8 5.0 233 211 A 62 GLY H A 61 ARG HBy 1.0 1.8 5.0 234 211 A 61 ARG HBx A 62 GLY H 1.0 1.8 5.0 235 212 A 62 GLY H A 61 ARG HG2 1.0 1.8 5.0 236 212 A 61 ARG HG3 A 62 GLY H 1.0 1.8 5.0 237 213 A 61 ARG H A 62 GLY H 1.0 1.8 5.0 238 214 A 62 GLY HA3 A 63 ILE H 1.0 1.8 3.5 239 215 A 62 GLY HA2 A 63 ILE H 1.0 1.8 3.5 240 216 A 62 GLY H A 63 ILE H 1.0 1.8 5.0 241 217 A 63 ILE HG2% A 64 LEU HA 1.0 1.8 5.0 242 218 A 63 ILE HA A 64 LEU H 1.0 1.8 3.0 243 219 A 63 ILE HG2% A 64 LEU H 1.0 1.8 5.0 244 220 A 63 ILE H A 64 LEU H 1.0 1.8 5.0 245 221 A 64 LEU HA A 65 ASP H 1.0 1.8 3.5 246 222 A 64 LEU HBy A 65 ASP H 1.0 1.8 5.0 247 223 A 64 LEU HBx A 65 ASP H 1.0 1.8 5.0 248 224 A 64 LEU HDy% A 65 ASP H 1.0 1.8 5.5 249 225 A 65 ASP HA A 66 LEU H 1.0 1.8 3.5 250 226 A 65 ASP H A 66 LEU H 1.0 1.8 5.0 251 227 A 66 LEU HA A 67 ASN H 1.0 1.8 5.0 252 228 A 66 LEU HBy A 67 ASN H 1.0 1.8 5.0 253 229 A 66 LEU HBx A 67 ASN H 1.0 1.8 5.0 254 230 A 67 ASN H A 66 LEU HDx% 1.0 1.8 5.5 255 230 A 67 ASN H A 66 LEU HDy% 1.0 1.8 5.5 256 231 A 66 LEU HG A 67 ASN H 1.0 1.8 5.0 257 232 A 66 LEU H A 67 ASN H 1.0 1.8 5.0 258 233 A 67 ASN HA A 68 THR HG2% 1.0 1.8 5.0 259 234 A 67 ASN HBy A 68 THR HG2% 1.0 1.8 5.5 260 235 A 67 ASN HBx A 68 THR HG2% 1.0 1.8 5.5 261 236 A 67 ASN HA A 68 THR H 1.0 1.8 4.0 262 237 A 67 ASN HBy A 68 THR H 1.0 1.8 5.0 263 238 A 67 ASN HBx A 68 THR H 1.0 1.8 5.0 264 239 A 67 ASN H A 68 THR H 1.0 1.8 4.0 265 240 A 67 ASN HD2x A 68 THR HG2% 1.0 1.8 5.5 266 241 A 67 ASN H A 68 THR HG2% 1.0 1.8 5.5 267 242 A 68 THR HA A 69 TYR H 1.0 1.8 5.0 268 243 A 68 THR HB A 69 TYR H 1.0 1.8 5.0 269 244 A 68 THR HG2% A 69 TYR H 1.0 1.8 5.0 270 245 A 68 THR H A 69 TYR H 1.0 1.8 4.0 271 246 A 68 THR H A 69 TYR HA 1.0 1.8 5.0 272 247 A 68 THR H A 69 TYR HBy 1.0 1.8 5.0 273 248 A 68 THR H A 69 TYR HD% 1.0 1.8 5.5 274 249 A 68 THR H A 69 TYR HE% 1.0 1.8 5.5 275 250 A 69 TYR HA A 70 ASN H 1.0 1.8 3.5 276 251 A 69 TYR HBy A 70 ASN H 1.0 1.8 5.0 277 252 A 69 TYR HBx A 70 ASN H 1.0 1.8 5.0 278 253 A 69 TYR HD% A 70 ASN H 1.0 1.8 5.5 279 254 A 69 TYR H A 70 ASN H 1.0 1.8 5.0 280 255 A 70 ASN HA A 71 VAL HGx% 1.0 1.8 5.5 281 256 A 70 ASN HA A 71 VAL H 1.0 1.8 3.5 282 257 A 70 ASN HBy A 71 VAL H 1.0 1.8 5.0 283 258 A 70 ASN HBx A 71 VAL H 1.0 1.8 5.0 284 259 A 70 ASN H A 71 VAL H 1.0 1.8 5.0 285 260 A 71 VAL HA A 72 VAL HGy% 1.0 1.8 6.5 286 261 A 71 VAL HGy% A 72 VAL HA 1.0 1.8 5.0 287 262 A 71 VAL HGx% A 72 VAL HA 1.0 1.8 5.5 288 263 A 71 VAL HA A 72 VAL HGx% 1.0 1.8 5.0 289 264 A 71 VAL HA A 72 VAL H 1.0 1.8 3.5 290 265 A 71 VAL HB A 72 VAL H 1.0 1.8 5.0 291 266 A 71 VAL HGx% A 72 VAL H 1.0 1.8 5.5 292 267 A 71 VAL H A 72 VAL H 1.0 1.8 5.0 293 268 A 72 VAL HGx% A 73 LYS HA 1.0 1.8 5.0 294 269 A 72 VAL HA A 73 LYS H 1.0 1.8 3.5 295 270 A 72 VAL HB A 73 LYS H 1.0 1.8 4.0 296 271 A 72 VAL H A 73 LYS H 1.0 1.8 5.0 297 272 A 73 LYS HA A 74 ALA HB% 1.0 1.8 6.5 298 273 A 73 LYS HA A 74 ALA H 1.0 1.8 3.5 299 274 A 73 LYS HBx A 74 ALA H 1.0 1.8 5.0 300 275 A 74 ALA H A 73 LYS HG2 1.0 1.8 4.0 301 275 A 73 LYS HG3 A 74 ALA H 1.0 1.8 4.0 302 276 A 73 LYS H A 74 ALA H 1.0 1.8 5.0 303 277 A 74 ALA HA A 75 PRO HBy 1.0 1.8 6.0 304 278 A 74 ALA HA A 75 PRO HBx 1.0 1.8 6.0 305 279 A 74 ALA HA A 75 PRO HGy 1.0 1.8 5.0 306 280 A 74 ALA HA A 75 PRO HGx 1.0 1.8 5.0 307 281 A 74 ALA HB% A 75 PRO HGy 1.0 1.8 5.5 308 282 A 74 ALA HB% A 75 PRO HGx 1.0 1.8 5.5 309 283 A 74 ALA HB% A 75 PRO HDy 1.0 1.8 5.0 310 284 A 74 ALA HB% A 75 PRO HDx 1.0 1.8 5.0 311 285 A 74 ALA HA A 75 PRO HA 1.0 1.8 6.0 312 286 A 74 ALA HB% A 75 PRO HA 1.0 1.8 6.5 313 287 A 74 ALA HA A 75 PRO HDy 1.0 1.8 3.0 314 288 A 74 ALA HA A 75 PRO HDx 1.0 1.8 3.0 315 289 A 74 ALA H A 75 PRO HDy 1.0 1.8 5.5 316 290 A 74 ALA H A 75 PRO HDx 1.0 1.8 5.5 317 291 A 75 PRO HA A 76 GLN H 1.0 1.8 5.0 318 292 A 76 GLN HBy A 77 GLY H 1.0 1.8 5.0 319 293 A 76 GLN HBx A 77 GLY H 1.0 1.8 5.0 320 294 A 76 GLN HGy A 77 GLY H 1.0 1.8 5.0 321 295 A 76 GLN HGx A 77 GLY H 1.0 1.8 5.0 322 296 A 76 GLN H A 77 GLY H 1.0 1.8 5.0 323 297 A 77 GLY HA3 A 78 LYS H 1.0 1.8 4.0 324 298 A 77 GLY HA2 A 78 LYS H 1.0 1.8 3.5 325 299 A 77 GLY H A 78 LYS H 1.0 1.8 5.0 326 300 A 78 LYS HA A 79 ASN H 1.0 1.8 3.5 327 301 A 78 LYS HBy A 79 ASN H 1.0 1.8 5.0 328 302 A 78 LYS HBx A 79 ASN H 1.0 1.8 5.0 329 303 A 78 LYS HD2 A 79 ASN HD22 1.0 1.8 5.0 330 303 A 78 LYS HD3 A 79 ASN HD22 1.0 1.8 5.0 331 303 A 79 ASN HD21 A 78 LYS HD2 1.0 1.8 5.0 332 303 A 78 LYS HD3 A 79 ASN HD21 1.0 1.8 5.0 333 304 A 79 ASN H A 78 LYS HD2 1.0 1.8 5.0 334 304 A 78 LYS HD3 A 79 ASN H 1.0 1.8 5.0 335 305 A 78 LYS HGy A 79 ASN HD22 1.0 1.8 5.0 336 305 A 78 LYS HGy A 79 ASN HD21 1.0 1.8 5.0 337 306 A 78 LYS HGy A 79 ASN H 1.0 1.8 5.0 338 307 A 78 LYS H A 79 ASN H 1.0 1.8 5.0 339 308 A 79 ASN HA A 80 GLN HBx 1.0 1.8 6.0 340 309 A 79 ASN HA A 80 GLN HG2 1.0 1.8 4.0 341 309 A 79 ASN HA A 80 GLN HG3 1.0 1.8 4.0 342 310 A 79 ASN HA A 80 GLN H 1.0 1.8 4.0 343 311 A 79 ASN HBy A 80 GLN H 1.0 1.8 5.0 344 312 A 79 ASN HBx A 80 GLN H 1.0 1.8 5.0 345 313 A 79 ASN H A 80 GLN H 1.0 1.8 5.0 346 314 A 80 GLN HA A 81 LYS H 1.0 1.8 5.0 347 315 A 80 GLN HBy A 81 LYS H 1.0 1.8 5.0 348 316 A 80 GLN H A 81 LYS H 1.0 1.8 4.0 349 317 A 80 GLN H A 81 LYS HBy 1.0 1.8 5.0 350 318 A 81 LYS HA A 82 SER H 1.0 1.8 4.0 351 319 A 81 LYS HBy A 82 SER H 1.0 1.8 5.0 352 320 A 81 LYS HBx A 82 SER H 1.0 1.8 5.0 353 321 A 81 LYS HDy A 82 SER H 1.0 1.8 5.0 354 322 A 81 LYS HDx A 82 SER H 1.0 1.8 5.0 355 323 A 81 LYS HGx A 82 SER H 1.0 1.8 5.0 356 324 A 82 SER HA A 83 PHE H 1.0 1.8 5.0 357 325 A 82 SER HBy A 83 PHE H 1.0 1.8 5.0 358 326 A 82 SER H A 83 PHE H 1.0 1.8 4.0 359 327 A 83 PHE HA A 84 VAL HGx% 1.0 1.8 5.0 360 328 A 83 PHE HA A 84 VAL H 1.0 1.8 3.0 361 329 A 83 PHE HBy A 84 VAL H 1.0 1.8 5.0 362 330 A 83 PHE HD% A 84 VAL H 1.0 1.8 5.5 363 331 A 84 VAL HGx% A 85 PHE HA 1.0 1.8 5.5 364 332 A 84 VAL HGy% A 85 PHE HA 1.0 1.8 5.0 365 333 A 84 VAL HA A 85 PHE H 1.0 1.8 3.5 366 334 A 84 VAL HB A 85 PHE H 1.0 1.8 4.0 367 335 A 84 VAL HGx% A 85 PHE H 1.0 1.8 4.0 368 336 A 84 VAL HGy% A 85 PHE H 1.0 1.8 4.0 369 337 A 85 PHE HA A 86 ILE HD1% 1.0 1.8 5.5 370 338 A 85 PHE HA A 86 ILE HG1x 1.0 1.8 5.0 371 339 A 85 PHE HA A 86 ILE H 1.0 1.8 4.0 372 340 A 85 PHE HBy A 86 ILE H 1.0 1.8 5.0 373 341 A 85 PHE HBx A 86 ILE H 1.0 1.8 5.0 374 342 A 85 PHE HD% A 86 ILE H 1.0 1.8 5.5 375 343 A 85 PHE H A 86 ILE H 1.0 1.8 5.0 376 344 A 86 ILE HA A 87 LEU HDx% 1.0 1.8 6.5 377 345 A 86 ILE HA A 87 LEU H 1.0 1.8 3.5 378 346 A 86 ILE HB A 87 LEU H 1.0 1.8 4.0 379 347 A 86 ILE HG1x A 87 LEU H 1.0 1.8 5.0 380 348 A 86 ILE HG2% A 87 LEU H 1.0 1.8 4.0 381 349 A 87 LEU HBy A 88 GLU HA 1.0 1.8 5.0 382 350 A 87 LEU HDy% A 88 GLU HA 1.0 1.8 5.5 383 351 A 87 LEU HA A 88 GLU H 1.0 1.8 3.0 384 352 A 87 LEU HBy A 88 GLU H 1.0 1.8 4.0 385 353 A 87 LEU HG A 88 GLU H 1.0 1.8 5.0 386 354 A 87 LEU H A 88 GLU H 1.0 1.8 5.0 387 355 A 89 PRO HD3 A 88 GLU HBx 1.0 1.8 4.0 388 355 A 88 GLU HBx A 89 PRO HD2 1.0 1.8 4.0 389 356 A 88 GLU HGy A 89 PRO HD2 1.0 1.8 5.0 390 356 A 88 GLU HGy A 89 PRO HD3 1.0 1.8 5.0 391 357 A 88 GLU HGx A 89 PRO HD2 1.0 1.8 5.0 392 357 A 88 GLU HGx A 89 PRO HD3 1.0 1.8 5.0 393 358 A 88 GLU HA A 89 PRO HD2 1.0 1.8 3.5 394 358 A 88 GLU HA A 89 PRO HD3 1.0 1.8 3.5 395 359 A 88 GLU H A 89 PRO HA 1.0 1.8 5.0 396 360 A 90 LYS HA A 89 PRO HG2 1.0 1.8 5.0 397 360 A 89 PRO HG3 A 90 LYS HA 1.0 1.8 5.0 398 361 A 89 PRO HA A 90 LYS H 1.0 1.8 3.0 399 362 A 89 PRO HBy A 90 LYS H 1.0 1.8 4.0 400 363 A 89 PRO HBx A 90 LYS H 1.0 1.8 4.0 401 364 A 90 LYS HA A 91 GLN H 1.0 1.8 5.0 402 365 A 90 LYS HBy A 91 GLN H 1.0 1.8 5.0 403 366 A 90 LYS HGy A 91 GLN H 1.0 1.8 5.5 404 367 A 90 LYS HGx A 91 GLN H 1.0 1.8 5.5 405 368 A 91 GLN HA A 92 GLN HG2 1.0 1.8 5.0 406 368 A 91 GLN HA A 92 GLN HG3 1.0 1.8 5.0 407 369 A 91 GLN HA A 92 GLN HA 1.0 1.8 5.0 408 370 A 91 GLN HA A 92 GLN H 1.0 1.8 3.5 409 371 A 91 GLN HBy A 92 GLN H 1.0 1.8 4.0 410 372 A 91 GLN HGy A 92 GLN H 1.0 1.8 5.0 411 373 A 91 GLN HGx A 92 GLN H 1.0 1.8 5.0 412 374 A 91 GLN H A 92 GLN H 1.0 1.8 5.0 413 375 A 93 GLY HA3 A 92 GLN HB2 1.0 1.8 6.0 414 375 A 92 GLN HB3 A 93 GLY HA3 1.0 1.8 6.0 415 376 A 93 GLY HA2 A 92 GLN HB2 1.0 1.8 6.0 416 376 A 92 GLN HB3 A 93 GLY HA2 1.0 1.8 6.0 417 377 A 93 GLY HA3 A 92 GLN HG2 1.0 1.8 6.0 418 377 A 92 GLN HG3 A 93 GLY HA3 1.0 1.8 6.0 419 378 A 93 GLY HA2 A 92 GLN HG2 1.0 1.8 5.0 420 378 A 92 GLN HG3 A 93 GLY HA2 1.0 1.8 5.0 421 379 A 92 GLN HA A 93 GLY H 1.0 1.8 4.0 422 380 A 93 GLY H A 92 GLN HB2 1.0 1.8 5.0 423 380 A 92 GLN HB3 A 93 GLY H 1.0 1.8 5.0 424 381 A 93 GLY H A 92 GLN HG2 1.0 1.8 5.0 425 381 A 92 GLN HG3 A 93 GLY H 1.0 1.8 5.0 426 382 A 92 GLN H A 93 GLY H 1.0 1.8 5.0 427 383 A 93 GLY HA3 A 94 ASP H 1.0 1.8 5.0 428 384 A 93 GLY HA2 A 94 ASP H 1.0 1.8 5.0 429 385 A 93 GLY H A 94 ASP H 1.0 1.8 5.0 430 386 A 94 ASP HBy A 95 PRO HGy 1.0 1.8 5.0 431 387 A 94 ASP HBy A 95 PRO HGx 1.0 1.8 5.5 432 388 A 94 ASP HBx A 95 PRO HGy 1.0 1.8 5.0 433 389 A 94 ASP HBx A 95 PRO HGx 1.0 1.8 5.5 434 390 A 94 ASP HBy A 95 PRO HDy 1.0 1.8 5.0 435 391 A 94 ASP HBx A 95 PRO HDy 1.0 1.8 5.0 436 392 A 94 ASP HBy A 95 PRO HDx 1.0 1.8 5.0 437 393 A 94 ASP HBx A 95 PRO HDx 1.0 1.8 5.0 438 394 A 94 ASP HA A 95 PRO HDy 1.0 1.8 3.0 439 395 A 94 ASP HA A 95 PRO HBx 1.0 1.8 5.0 440 396 A 94 ASP HA A 95 PRO HDx 1.0 1.8 3.0 441 397 A 94 ASP HA A 95 PRO HGx 1.0 1.8 5.0 442 398 A 94 ASP H A 95 PRO HDy 1.0 1.8 5.5 443 399 A 94 ASP H A 95 PRO HDx 1.0 1.8 5.5 444 400 A 95 PRO HBy A 96 PRO HDx 1.0 1.8 4.0 445 401 A 95 PRO HA A 96 PRO HDx 1.0 1.8 3.5 446 402 A 95 PRO HBx A 96 PRO HDx 1.0 1.8 4.0 447 403 A 95 PRO HA A 96 PRO HBy 1.0 1.8 6.0 448 404 A 95 PRO HA A 96 PRO HDy 1.0 1.8 3.0 449 405 A 96 PRO HA A 97 VAL HGy% 1.0 1.8 5.5 450 406 A 96 PRO HA A 97 VAL H 1.0 1.8 3.5 451 407 A 96 PRO HBy A 97 VAL H 1.0 1.8 4.0 452 408 A 96 PRO HBx A 97 VAL H 1.0 1.8 5.0 453 409 A 97 VAL HA A 98 GLU HBx 1.0 1.8 5.0 454 410 A 97 VAL HA A 98 GLU H 1.0 1.8 3.0 455 411 A 97 VAL HGx% A 98 GLU H 1.0 1.8 5.0 456 412 A 97 VAL HGy% A 98 GLU H 1.0 1.8 5.5 457 413 A 98 GLU HA A 99 PHE H 1.0 1.8 3.5 458 414 A 98 GLU HBy A 99 PHE H 1.0 1.8 5.0 459 415 A 98 GLU HBx A 99 PHE H 1.0 1.8 5.0 460 416 A 98 GLU H A 99 PHE HD% 1.0 1.8 5.5 461 417 A 99 PHE HA A 100 ALA HB% 1.0 1.8 5.0 462 418 A 99 PHE HA A 100 ALA H 1.0 1.8 4.0 463 419 A 99 PHE HBy A 100 ALA H 1.0 1.8 5.0 464 420 A 99 PHE HBx A 100 ALA H 1.0 1.8 5.0 465 421 A 99 PHE HD% A 100 ALA H 1.0 1.8 5.0 466 422 A 100 ALA HB% A 101 THR HA 1.0 1.8 6.5 467 423 A 100 ALA HA A 101 THR HG2% 1.0 1.8 5.5 468 424 A 100 ALA HA A 101 THR H 1.0 1.8 3.5 469 425 A 100 ALA HB% A 101 THR H 1.0 1.8 5.0 470 426 A 101 THR HA A 102 ASP H 1.0 1.8 4.0 471 427 A 102 ASP H A 101 THR HB 1.0 1.8 4.0 472 428 A 101 THR HG1 A 102 ASP H 1.0 1.8 5.0 473 429 A 101 THR HG2% A 102 ASP H 1.0 1.8 5.5 474 430 A 102 ASP HBy A 103 ARG HGy 1.0 1.8 5.0 475 431 A 102 ASP HBy A 103 ARG HGx 1.0 1.8 5.0 476 432 A 102 ASP HBx A 103 ARG HGy 1.0 1.8 5.0 477 433 A 102 ASP HBx A 103 ARG HGx 1.0 1.8 5.0 478 434 A 102 ASP HA A 103 ARG H 1.0 1.8 5.0 479 435 A 102 ASP HBy A 103 ARG H 1.0 1.8 5.0 480 436 A 102 ASP HBx A 103 ARG H 1.0 1.8 4.0 481 437 A 102 ASP H A 103 ARG H 1.0 1.8 3.5 482 438 A 103 ARG HBx A 104 VAL HGx% 1.0 1.8 5.5 483 439 A 103 ARG HBy A 104 VAL HGx% 1.0 1.8 5.0 484 440 A 103 ARG HA A 104 VAL HGx% 1.0 1.8 5.5 485 440 A 103 ARG HA A 104 VAL HGy% 1.0 1.8 5.5 486 441 A 103 ARG HBy A 104 VAL H 1.0 1.8 5.0 487 442 A 103 ARG HBx A 104 VAL H 1.0 1.8 5.0 488 443 A 104 VAL H A 103 ARG HD2 1.0 1.8 5.0 489 443 A 103 ARG HD3 A 104 VAL H 1.0 1.8 5.0 490 444 A 103 ARG HGy A 104 VAL H 1.0 1.8 5.0 491 445 A 103 ARG H A 104 VAL H 1.0 1.8 5.0 492 446 A 105 GLU HA A 104 VAL HGx% 1.0 1.8 5.5 493 447 A 104 VAL HGy% A 105 GLU HA 1.0 1.8 6.5 494 448 A 105 GLU HGy A 104 VAL HGx% 1.0 1.8 5.5 495 449 A 104 VAL HGy% A 105 GLU HGy 1.0 1.8 6.5 496 450 A 105 GLU HGx A 104 VAL HGx% 1.0 1.8 6.5 497 451 A 105 GLU HA A 104 VAL HGx% 1.0 1.8 5.5 498 451 A 104 VAL HGy% A 105 GLU HA 1.0 1.8 5.5 499 452 A 104 VAL HA A 105 GLU H 1.0 1.8 5.0 500 453 A 104 VAL HB A 105 GLU H 1.0 1.8 5.0 501 454 A 105 GLU H A 104 VAL HGx% 1.0 1.8 5.0 502 454 A 104 VAL HGy% A 105 GLU H 1.0 1.8 5.0 503 455 A 104 VAL H A 105 GLU H 1.0 1.8 5.0 504 456 A 105 GLU HA A 106 GLU H 1.0 1.8 5.0 505 457 A 105 GLU HBy A 106 GLU H 1.0 1.8 5.0 506 458 A 105 GLU HBx A 106 GLU H 1.0 1.8 5.0 507 459 A 105 GLU H A 106 GLU H 1.0 1.8 5.0 508 460 A 106 GLU HA A 107 LEU H 1.0 1.8 5.0 509 461 A 106 GLU HBy A 107 LEU H 1.0 1.8 5.0 510 462 A 106 GLU HBx A 107 LEU H 1.0 1.8 5.0 511 463 A 106 GLU H A 107 LEU H 1.0 1.8 4.0 512 464 A 107 LEU HDx% A 108 PHE HA 1.0 1.8 5.5 513 465 A 107 LEU HDy% A 108 PHE HA 1.0 1.8 5.5 514 466 A 107 LEU HG A 108 PHE HA 1.0 1.8 6.0 515 467 A 107 LEU HA A 108 PHE H 1.0 1.8 5.0 516 468 A 107 LEU HBy A 108 PHE H 1.0 1.8 5.0 517 469 A 107 LEU HBx A 108 PHE H 1.0 1.8 4.0 518 470 A 107 LEU HDx% A 108 PHE H 1.0 1.8 5.5 519 471 A 107 LEU HDy% A 108 PHE H 1.0 1.8 5.5 520 472 A 107 LEU HG A 108 PHE H 1.0 1.8 5.0 521 473 A 107 LEU H A 108 PHE H 1.0 1.8 3.0 522 474 A 107 LEU HDx% A 108 PHE HD% 1.0 1.8 5.5 523 475 A 107 LEU HDy% A 108 PHE HD% 1.0 1.8 5.5 524 476 A 108 PHE HBy A 109 GLU HBy 1.0 1.8 6.0 525 477 A 108 PHE HBx A 109 GLU HBy 1.0 1.8 5.0 526 478 A 108 PHE HA A 109 GLU H 1.0 1.8 5.0 527 479 A 108 PHE HBy A 109 GLU H 1.0 1.8 4.0 528 480 A 108 PHE HBx A 109 GLU H 1.0 1.8 4.0 529 481 A 108 PHE HD% A 109 GLU H 1.0 1.8 5.5 530 482 A 108 PHE H A 109 GLU H 1.0 1.8 4.0 531 483 A 109 GLU HA A 110 TRP H 1.0 1.8 5.0 532 484 A 109 GLU HBy A 110 TRP H 1.0 1.8 4.0 533 485 A 109 GLU HBx A 110 TRP H 1.0 1.8 4.0 534 486 A 109 GLU H A 110 TRP H 1.0 1.8 5.0 535 487 A 110 TRP HA A 111 PHE H 1.0 1.8 5.0 536 488 A 110 TRP HBy A 111 PHE H 1.0 1.8 5.0 537 489 A 110 TRP HBx A 111 PHE H 1.0 1.8 4.0 538 490 A 110 TRP H A 111 PHE H 1.0 1.8 4.0 539 491 A 111 PHE HBx A 112 GLN HG2 1.0 1.8 6.0 540 491 A 111 PHE HBx A 112 GLN HG3 1.0 1.8 6.0 541 492 A 111 PHE HA A 112 GLN H 1.0 1.8 5.0 542 493 A 111 PHE HBy A 112 GLN H 1.0 1.8 5.0 543 494 A 111 PHE HBx A 112 GLN H 1.0 1.8 4.0 544 495 A 111 PHE HD% A 112 GLN H 1.0 1.8 5.5 545 496 A 111 PHE H A 112 GLN H 1.0 1.8 4.0 546 497 A 113 SER HA A 112 GLN HG2 1.0 1.8 5.0 547 497 A 112 GLN HG3 A 113 SER HA 1.0 1.8 5.0 548 498 A 112 GLN HBy A 113 SER H 1.0 1.8 4.0 549 499 A 112 GLN HBx A 113 SER H 1.0 1.8 4.0 550 500 A 113 SER H A 112 GLN HG2 1.0 1.8 5.0 551 500 A 112 GLN HG3 A 113 SER H 1.0 1.8 5.0 552 501 A 112 GLN H A 113 SER H 1.0 1.8 4.0 553 502 A 113 SER HA A 114 ILE H 1.0 1.8 5.0 554 503 A 113 SER HBx A 114 ILE H 1.0 1.8 5.0 555 504 A 113 SER H A 114 ILE H 1.0 1.8 4.0 556 505 A 114 ILE HG2% A 115 ARG HA 1.0 1.8 5.5 557 506 A 114 ILE HA A 115 ARG H 1.0 1.8 5.0 558 507 A 114 ILE HD1% A 115 ARG H 1.0 1.8 5.0 559 508 A 114 ILE HG1y A 115 ARG H 1.0 1.8 5.0 560 509 A 114 ILE HG1x A 115 ARG H 1.0 1.8 5.0 561 510 A 114 ILE HG2% A 115 ARG H 1.0 1.8 5.5 562 511 A 114 ILE H A 115 ARG H 1.0 1.8 4.0 563 512 A 115 ARG HBx A 116 GLU HA 1.0 1.8 5.0 564 513 A 115 ARG HA A 116 GLU H 1.0 1.8 4.0 565 514 A 115 ARG HBy A 116 GLU H 1.0 1.8 4.0 566 515 A 115 ARG HBx A 116 GLU H 1.0 1.8 5.0 567 516 A 116 GLU H A 115 ARG HDx 1.0 1.8 5.5 568 516 A 115 ARG HDy A 116 GLU H 1.0 1.8 5.5 569 517 A 115 ARG H A 116 GLU H 1.0 1.8 4.0 570 518 A 116 GLU HBx A 117 ILE H 1.0 1.8 4.0 571 519 A 116 GLU HGy A 117 ILE H 1.0 1.8 5.5 572 520 A 116 GLU HGx A 117 ILE H 1.0 1.8 5.5 573 521 A 116 GLU H A 117 ILE H 1.0 1.8 4.0 574 522 A 117 ILE HB A 118 THR HG2% 1.0 1.8 5.0 575 523 A 117 ILE HG2% A 118 THR HG2% 1.0 1.8 4.0 576 524 A 117 ILE HD1% A 118 THR HG2% 1.0 1.8 6.0 577 525 A 117 ILE HG2% A 118 THR HA 1.0 1.8 5.0 578 526 A 117 ILE HG2% A 118 THR HB 1.0 1.8 5.5 579 527 A 117 ILE HA A 118 THR HG2% 1.0 1.8 5.5 580 528 A 117 ILE HA A 118 THR H 1.0 1.8 5.0 581 529 A 117 ILE HB A 118 THR H 1.0 1.8 4.0 582 530 A 117 ILE HG2% A 118 THR H 1.0 1.8 5.0 583 531 A 117 ILE H A 118 THR H 1.0 1.8 4.0 584 532 A 117 ILE H A 118 THR HG2% 1.0 1.8 5.5 585 533 A 118 THR HA A 119 TRP HA 1.0 1.8 6.0 586 534 A 118 THR HG2% A 119 TRP HA 1.0 1.8 6.5 587 535 A 118 THR H A 119 TRP H 1.0 1.8 3.5 588 536 A 118 THR H A 119 TRP HBy 1.0 1.8 5.0 589 537 A 118 THR H A 119 TRP HBx 1.0 1.8 5.0 590 538 A 119 TRP HA A 120 LYS HA 1.0 1.8 6.0 591 539 A 119 TRP HBy A 120 LYS H 1.0 1.8 5.0 592 540 A 119 TRP HBx A 120 LYS H 1.0 1.8 5.0 593 541 A 119 TRP HD1 A 120 LYS H 1.0 1.8 5.0 594 542 A 119 TRP H A 120 LYS H 1.0 1.8 5.0 595 543 A 120 LYS HA A 121 ILE H 1.0 1.8 3.0 596 544 A 120 LYS H A 121 ILE H 1.0 1.8 5.0 597 545 A 121 ILE HA A 122 ASP HA 1.0 1.8 6.0 598 546 A 121 ILE HG2% A 122 ASP HA 1.0 1.8 5.5 599 547 A 121 ILE HA A 122 ASP H 1.0 1.8 3.0 600 548 A 121 ILE HG2% A 122 ASP H 1.0 1.8 4.0 601 549 A 121 ILE H A 122 ASP H 1.0 1.8 4.0 602 550 A 122 ASP HA A 123 THR HA 1.0 1.8 6.0 603 551 A 122 ASP HA A 123 THR H 1.0 1.8 3.0 604 552 A 123 THR HA A 124 LYS H 1.0 1.8 4.0 605 553 A 123 THR HG2% A 124 LYS H 1.0 1.8 5.5 stop_ save_ save_CNS/XPLOR_distance_constraints_8 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_8 _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 34 ALA HB% A 13 LYS HE2 1.0 1.8 6.5 2 1 A 13 LYS HE3 A 34 ALA HB% 1.0 1.8 6.5 3 2 A 36 ALA HB% A 13 LYS HE2 1.0 1.8 5.5 4 2 A 13 LYS HE3 A 36 ALA HB% 1.0 1.8 5.5 5 3 A 36 ALA HA A 13 LYS HD2 1.0 1.8 5.0 6 3 A 13 LYS HD3 A 36 ALA HA 1.0 1.8 5.0 7 4 A 14 GLN HBy A 35 ILE HB 1.0 1.8 4.0 8 5 A 14 GLN HBy A 35 ILE HG2% 1.0 1.8 5.0 9 6 A 14 GLN HGy A 35 ILE HD1% 1.0 1.8 5.5 10 7 A 14 GLN HGx A 35 ILE HD1% 1.0 1.8 5.0 11 8 A 14 GLN HA A 35 ILE HD1% 1.0 1.8 5.5 12 9 A 14 GLN H A 35 ILE HG2% 1.0 1.8 5.5 13 10 A 14 GLN HE2y A 109 GLU HBy 1.0 1.8 5.0 14 11 A 14 GLN HE2y A 109 GLU HBx 1.0 1.8 5.0 15 12 A 14 GLN HE2y A 109 GLU HGy 1.0 1.8 5.0 16 13 A 14 GLN HE2y A 109 GLU HGx 1.0 1.8 5.0 17 14 A 14 GLN HGy A 110 TRP HA 1.0 1.8 5.0 18 15 A 14 GLN HGx A 110 TRP HA 1.0 1.8 5.0 19 16 A 110 TRP HE1 A 14 GLN HE2x 1.0 1.8 5.0 20 17 A 14 GLN HE2y A 110 TRP HE1 1.0 1.8 5.0 21 18 A 14 GLN HE2y A 110 TRP HA 1.0 1.8 5.0 22 19 A 14 GLN HGx A 113 SER HBy 1.0 1.8 5.0 23 20 A 14 GLN HGy A 113 SER HBx 1.0 1.8 5.0 24 21 A 14 GLN HGx A 113 SER HBx 1.0 1.8 5.0 25 22 A 14 GLN HBy A 113 SER HBy 1.0 1.8 5.0 26 23 A 14 GLN HBx A 113 SER HBy 1.0 1.8 5.0 27 24 A 14 GLN HBx A 113 SER HBx 1.0 1.8 6.0 28 25 A 15 GLN HBx A 32 TYR HE% 1.0 1.8 5.5 29 26 A 15 GLN HA A 34 ALA HB% 1.0 1.8 5.0 30 27 A 15 GLN HBy A 34 ALA HB% 1.0 1.8 4.0 31 28 A 15 GLN HBx A 34 ALA HB% 1.0 1.8 4.0 32 29 A 15 GLN HGx A 34 ALA HB% 1.0 1.8 4.0 33 30 A 15 GLN HGy A 34 ALA HA 1.0 1.8 5.0 34 31 A 15 GLN HGy A 34 ALA HB% 1.0 1.8 5.0 35 32 A 15 GLN HA A 34 ALA HA 1.0 1.8 3.5 36 33 A 15 GLN HBy A 34 ALA HA 1.0 1.8 5.5 37 34 A 15 GLN HBx A 34 ALA HA 1.0 1.8 3.5 38 35 A 15 GLN HGx A 34 ALA HA 1.0 1.8 4.0 39 36 A 15 GLN HA A 35 ILE HD1% 1.0 1.8 6.5 40 37 A 15 GLN HA A 35 ILE H 1.0 1.8 5.0 41 38 A 15 GLN HA A 110 TRP HZ3 1.0 1.8 5.0 42 39 A 16 GLY H A 32 TYR HD% 1.0 1.8 5.5 43 40 A 16 GLY H A 32 TYR HE% 1.0 1.8 5.5 44 41 A 16 GLY HA3 A 32 TYR HE% 1.0 1.8 5.5 45 42 A 16 GLY HA2 A 32 TYR HE% 1.0 1.8 5.5 46 43 A 16 GLY H A 33 CYS HBy 1.0 1.8 5.0 47 44 A 16 GLY H A 34 ALA HA 1.0 1.8 5.0 48 45 A 16 GLY H A 34 ALA HB% 1.0 1.8 5.5 49 46 A 16 GLY H A 35 ILE H 1.0 1.8 5.0 50 47 A 16 GLY HA3 A 110 TRP HE1 1.0 1.8 5.0 51 48 A 16 GLY HA2 A 110 TRP HE1 1.0 1.8 5.0 52 49 A 16 GLY H A 110 TRP HE1 1.0 1.8 5.0 53 50 A 16 GLY H A 110 TRP HZ3 1.0 1.8 5.0 54 51 A 16 GLY HA2 A 110 TRP HZ2 1.0 1.8 5.0 55 52 A 17 GLU HA A 31 HIS H 1.0 1.8 5.0 56 53 A 17 GLU HBy A 32 TYR HA 1.0 1.8 5.0 57 54 A 17 GLU HBx A 32 TYR HA 1.0 1.8 5.0 58 55 A 17 GLU HGy A 32 TYR HA 1.0 1.8 5.0 59 56 A 17 GLU HGx A 32 TYR HA 1.0 1.8 5.0 60 57 A 17 GLU HA A 32 TYR HA 1.0 1.8 3.5 61 58 A 17 GLU HA A 32 TYR HBy 1.0 1.8 5.0 62 59 A 17 GLU HA A 32 TYR HBx 1.0 1.8 6.0 63 60 A 17 GLU HGy A 32 TYR HD% 1.0 1.8 5.5 64 61 A 17 GLU HGy A 32 TYR HE% 1.0 1.8 5.5 65 62 A 17 GLU HGx A 32 TYR HD% 1.0 1.8 5.5 66 63 A 17 GLU HGx A 32 TYR HE% 1.0 1.8 5.5 67 64 A 17 GLU HA A 33 CYS H 1.0 1.8 5.0 68 65 A 17 GLU HBx A 46 ILE HD1% 1.0 1.8 5.5 69 66 A 17 GLU HGy A 46 ILE HD1% 1.0 1.8 5.5 70 67 A 17 GLU HGx A 46 ILE HD1% 1.0 1.8 5.5 71 68 A 17 GLU HBy A 46 ILE HD1% 1.0 1.8 5.5 72 69 A 17 GLU HGx A 46 ILE HG2% 1.0 1.8 6.5 73 70 A 17 GLU HA A 46 ILE HD1% 1.0 1.8 5.5 74 71 A 17 GLU H A 110 TRP HZ2 1.0 1.8 5.0 75 72 A 18 LEU H A 31 HIS H 1.0 1.8 5.0 76 73 A 18 LEU H A 32 TYR HA 1.0 1.8 4.0 77 74 A 18 LEU HDx% A 33 CYS HBy 1.0 1.8 5.0 78 75 A 18 LEU HDx% A 33 CYS HBx 1.0 1.8 5.0 79 76 A 18 LEU HDx% A 40 LEU HDx% 1.0 1.8 5.0 80 77 A 18 LEU HDy% A 40 LEU HDy% 1.0 1.8 7.0 81 78 A 18 LEU HDx% A 40 LEU HDy% 1.0 1.8 5.0 82 79 A 18 LEU HDx% A 99 PHE HBy 1.0 1.8 5.0 83 80 A 18 LEU HDy% A 99 PHE HBy 1.0 1.8 5.5 84 81 A 18 LEU HDx% A 99 PHE HBx 1.0 1.8 5.5 85 82 A 18 LEU HDy% A 99 PHE HBx 1.0 1.8 5.5 86 83 A 18 LEU HBy A 99 PHE HD% 1.0 1.8 5.5 87 84 A 18 LEU HBx A 99 PHE HD% 1.0 1.8 5.0 88 85 A 18 LEU HDx% A 99 PHE HD% 1.0 1.8 5.5 89 86 A 18 LEU HDy% A 99 PHE HD% 1.0 1.8 5.5 90 87 A 18 LEU HDy% A 100 ALA HB% 1.0 1.8 6.0 91 88 A 18 LEU HDx% A 100 ALA H 1.0 1.8 5.5 92 89 A 18 LEU HDy% A 100 ALA H 1.0 1.8 5.5 93 90 A 18 LEU HA A 101 THR HG2% 1.0 1.8 5.5 94 91 A 18 LEU HDx% A 101 THR HG2% 1.0 1.8 7.0 95 92 A 18 LEU HDy% A 101 THR HG2% 1.0 1.8 5.0 96 93 A 18 LEU HDy% A 101 THR HA 1.0 1.8 5.5 97 94 A 18 LEU HDy% A 101 THR HB 1.0 1.8 5.5 98 95 A 18 LEU HA A 101 THR HA 1.0 1.8 5.0 99 96 A 18 LEU HDy% A 101 THR H 1.0 1.8 5.5 100 97 A 18 LEU HDy% A 110 TRP HBx 1.0 1.8 6.5 101 98 A 18 LEU HDx% A 110 TRP HE1 1.0 1.8 5.5 102 99 A 18 LEU HDy% A 110 TRP HE1 1.0 1.8 5.5 103 100 A 18 LEU HG A 110 TRP HE1 1.0 1.8 5.0 104 101 A 18 LEU HBx A 110 TRP HH2 1.0 1.8 5.0 105 102 A 18 LEU HDy% A 110 TRP HD1 1.0 1.8 5.5 106 103 A 18 LEU HG A 110 TRP HZ2 1.0 1.8 5.0 107 104 A 18 LEU HDx% A 111 PHE HZ 1.0 1.8 5.5 108 105 A 18 LEU HDx% A 114 ILE HD1% 1.0 1.8 5.5 109 106 A 18 LEU HDy% A 114 ILE HD1% 1.0 1.8 5.5 110 107 A 19 TYR HBy A 28 TRP HA 1.0 1.8 6.0 111 108 A 19 TYR H A 28 TRP HE3 1.0 1.8 5.0 112 109 A 19 TYR HBy A 28 TRP HE3 1.0 1.8 5.0 113 110 A 19 TYR HBx A 28 TRP HE3 1.0 1.8 5.0 114 111 A 19 TYR HD% A 28 TRP HE3 1.0 1.8 5.0 115 112 A 19 TYR HE% A 28 TRP HB2 1.0 1.8 5.5 116 112 A 19 TYR HE% A 28 TRP HB3 1.0 1.8 5.5 117 113 A 19 TYR HD% A 28 TRP HB2 1.0 1.8 5.5 118 113 A 19 TYR HD% A 28 TRP HB3 1.0 1.8 5.5 119 114 A 19 TYR HA A 29 THR H 1.0 1.8 5.0 120 115 A 19 TYR HBx A 29 THR H 1.0 1.8 5.0 121 116 A 19 TYR HD% A 29 THR H 1.0 1.8 5.5 122 117 A 19 TYR HA A 30 ARG HA 1.0 1.8 4.0 123 118 A 19 TYR HD% A 30 ARG HA 1.0 1.8 5.5 124 119 A 19 TYR HE% A 30 ARG HBy 1.0 1.8 5.5 125 120 A 19 TYR HE% A 30 ARG HDx 1.0 1.8 5.5 126 120 A 19 TYR HE% A 30 ARG HDy 1.0 1.8 5.5 127 121 A 19 TYR HA A 31 HIS H 1.0 1.8 5.0 128 122 A 19 TYR HD% A 31 HIS H 1.0 1.8 5.5 129 123 A 19 TYR H A 99 PHE HD% 1.0 1.8 5.5 130 124 A 19 TYR HBy A 100 ALA HB% 1.0 1.8 5.0 131 125 A 19 TYR HBx A 100 ALA HB% 1.0 1.8 5.5 132 126 A 19 TYR HBy A 100 ALA H 1.0 1.8 5.0 133 127 A 19 TYR HBx A 100 ALA H 1.0 1.8 5.0 134 128 A 19 TYR H A 100 ALA HB% 1.0 1.8 5.5 135 129 A 19 TYR HD% A 100 ALA HB% 1.0 1.8 6.0 136 130 A 19 TYR HBy A 101 THR HA 1.0 1.8 5.0 137 131 A 19 TYR HD% A 101 THR H 1.0 1.8 5.5 138 132 A 19 TYR HD% A 101 THR HA 1.0 1.8 5.5 139 133 A 19 TYR HE% A 102 ASP H 1.0 1.8 5.5 140 134 A 20 MET H A 28 TRP HA 1.0 1.8 5.0 141 135 A 20 MET H A 28 TRP HE3 1.0 1.8 5.0 142 136 A 20 MET H A 29 THR H 1.0 1.8 5.0 143 137 A 20 MET H A 29 THR HG2% 1.0 1.8 5.5 144 138 A 20 MET H A 31 HIS HD2 1.0 1.8 5.0 145 139 A 20 MET H A 31 HIS HE1 1.0 1.8 5.0 146 140 A 20 MET H A 31 HIS H 1.0 1.8 5.0 147 141 A 20 MET HA A 97 VAL HGx% 1.0 1.8 6.5 148 142 A 20 MET HGy A 97 VAL HGx% 1.0 1.8 5.0 149 143 A 20 MET HBx A 97 VAL HGx% 1.0 1.8 6.5 150 144 A 20 MET HGx A 97 VAL HGx% 1.0 1.8 6.5 151 145 A 20 MET HA A 98 GLU H 1.0 1.8 5.0 152 146 A 20 MET HA A 99 PHE HA 1.0 1.8 4.0 153 147 A 20 MET HBx A 99 PHE HA 1.0 1.8 5.0 154 148 A 20 MET HGx A 99 PHE HA 1.0 1.8 5.0 155 149 A 20 MET HGx A 99 PHE HE% 1.0 1.8 5.0 156 150 A 20 MET HA A 100 ALA H 1.0 1.8 5.0 157 151 A 20 MET H A 100 ALA H 1.0 1.8 5.0 158 152 A 20 MET HGy A 114 ILE HD1% 1.0 1.8 6.0 159 153 A 20 MET HGx A 114 ILE HD1% 1.0 1.8 6.0 160 154 A 21 TRP HA A 27 LYS H 1.0 1.8 5.0 161 155 A 27 LYS H A 21 TRP HZ2 1.0 1.8 5.0 162 156 A 27 LYS H A 21 TRP HZ3 1.0 1.8 5.0 163 157 A 21 TRP HA A 28 TRP HA 1.0 1.8 4.0 164 158 A 28 TRP HE1 A 21 TRP HE3 1.0 1.8 5.0 165 159 A 28 TRP H A 21 TRP HE3 1.0 1.8 5.0 166 160 A 28 TRP HE1 A 21 TRP HZ3 1.0 1.8 5.0 167 161 A 21 TRP H A 28 TRP HE3 1.0 1.8 5.0 168 162 A 21 TRP H A 28 TRP HH2 1.0 1.8 5.0 169 163 A 21 TRP H A 28 TRP HZ3 1.0 1.8 5.0 170 164 A 28 TRP HD1 A 21 TRP HE3 1.0 1.8 5.0 171 165 A 21 TRP HA A 29 THR H 1.0 1.8 5.0 172 166 A 21 TRP HBx A 79 ASN HD22 1.0 1.8 5.0 173 166 A 21 TRP HBx A 79 ASN HD21 1.0 1.8 5.0 174 167 A 21 TRP HE1 A 79 ASN HD22 1.0 1.8 5.0 175 167 A 21 TRP HE1 A 79 ASN HD21 1.0 1.8 5.0 176 168 A 21 TRP HZ2 A 79 ASN HD22 1.0 1.8 5.0 177 168 A 79 ASN HD21 A 21 TRP HZ2 1.0 1.8 5.0 178 169 A 21 TRP HZ3 A 79 ASN HD22 1.0 1.8 5.0 179 169 A 79 ASN HD21 A 21 TRP HZ3 1.0 1.8 5.0 180 170 A 21 TRP HBy A 98 GLU HBy 1.0 1.8 5.0 181 171 A 21 TRP HBx A 98 GLU HBy 1.0 1.8 5.0 182 172 A 21 TRP HBx A 98 GLU HBx 1.0 1.8 5.0 183 173 A 21 TRP HBy A 98 GLU HBx 1.0 1.8 4.0 184 174 A 21 TRP HBy A 98 GLU HA 1.0 1.8 5.0 185 175 A 21 TRP HBy A 98 GLU H 1.0 1.8 5.0 186 176 A 21 TRP HBx A 98 GLU H 1.0 1.8 5.0 187 177 A 21 TRP HD1 A 98 GLU H 1.0 1.8 5.0 188 178 A 21 TRP H A 98 GLU H 1.0 1.8 5.0 189 179 A 21 TRP H A 99 PHE HA 1.0 1.8 5.0 190 180 A 22 ASP H A 28 TRP HA 1.0 1.8 5.0 191 181 A 22 ASP HBy A 29 THR HG2% 1.0 1.8 5.5 192 182 A 22 ASP HBx A 29 THR HG2% 1.0 1.8 4.0 193 183 A 22 ASP HA A 29 THR HG2% 1.0 1.8 6.5 194 184 A 22 ASP HBx A 29 THR H 1.0 1.8 5.0 195 185 A 22 ASP H A 29 THR H 1.0 1.8 5.0 196 186 A 22 ASP H A 29 THR HG2% 1.0 1.8 5.5 197 187 A 78 LYS H A 28 TRP HZ2 1.0 1.8 5.0 198 188 A 28 TRP HE1 A 79 ASN HD22 1.0 1.8 5.0 199 188 A 28 TRP HE1 A 79 ASN HD21 1.0 1.8 5.0 200 189 A 28 TRP HZ2 A 79 ASN HD22 1.0 1.8 5.0 201 189 A 79 ASN HD21 A 28 TRP HZ2 1.0 1.8 5.0 202 190 A 28 TRP HE1 A 79 ASN HA 1.0 1.8 5.0 203 191 A 28 TRP HE1 A 79 ASN HBy 1.0 1.8 4.0 204 192 A 28 TRP HE1 A 79 ASN HBx 1.0 1.8 4.0 205 193 A 79 ASN HBy A 28 TRP HZ2 1.0 1.8 5.0 206 194 A 79 ASN HBx A 28 TRP HZ2 1.0 1.8 5.0 207 195 A 28 TRP HE1 A 80 GLN HBy 1.0 1.8 5.0 208 196 A 28 TRP HE1 A 80 GLN HBx 1.0 1.8 5.0 209 197 A 81 LYS HE3 A 28 TRP HB2 1.0 1.8 5.0 210 197 A 28 TRP HB3 A 81 LYS HE3 1.0 1.8 5.0 211 198 A 81 LYS HE2 A 28 TRP HB2 1.0 1.8 5.0 212 198 A 28 TRP HB3 A 81 LYS HE2 1.0 1.8 5.0 213 199 A 28 TRP HE1 A 81 LYS H 1.0 1.8 5.0 214 200 A 81 LYS H A 28 TRP HZ2 1.0 1.8 5.0 215 201 A 28 TRP HE1 A 81 LYS HBy 1.0 1.8 5.0 216 202 A 28 TRP HE1 A 81 LYS HBx 1.0 1.8 5.0 217 203 A 28 TRP HE1 A 81 LYS HGy 1.0 1.8 5.0 218 204 A 28 TRP HE1 A 81 LYS HGx 1.0 1.8 5.0 219 205 A 28 TRP HH2 A 81 LYS HE3 1.0 1.8 5.0 220 206 A 28 TRP HE1 A 84 VAL HGx% 1.0 1.8 5.5 221 207 A 84 VAL HGx% A 28 TRP HZ2 1.0 1.8 5.5 222 208 A 100 ALA H A 28 TRP HZ3 1.0 1.8 4.0 223 209 A 29 THR HG2% A 45 ASP HBx 1.0 1.8 5.5 224 210 A 29 THR HG2% A 45 ASP HA 1.0 1.8 5.5 225 211 A 29 THR HG2% A 45 ASP H 1.0 1.8 5.5 226 212 A 29 THR HB A 50 MET HGy 1.0 1.8 6.0 227 213 A 30 ARG HA A 46 ILE HD1% 1.0 1.8 6.5 228 214 A 30 ARG HBy A 46 ILE HD1% 1.0 1.8 5.5 229 215 A 30 ARG HBx A 46 ILE HD1% 1.0 1.8 4.0 230 216 A 46 ILE HD1% A 30 ARG HDx 1.0 1.8 5.5 231 217 A 30 ARG HGx A 46 ILE HD1% 1.0 1.8 4.0 232 218 A 46 ILE HD1% A 30 ARG HDy 1.0 1.8 5.5 233 219 A 30 ARG HGy A 46 ILE HD1% 1.0 1.8 4.0 234 220 A 46 ILE HG2% A 30 ARG HDy 1.0 1.8 5.5 235 221 A 46 ILE HG2% A 30 ARG HDx 1.0 1.8 5.5 236 222 A 30 ARG HBy A 47 GLU HGy 1.0 1.8 5.0 237 223 A 30 ARG HBy A 47 GLU HGx 1.0 1.8 5.0 238 224 A 47 GLU HGy A 30 ARG HDx 1.0 1.8 5.0 239 225 A 47 GLU HGx A 30 ARG HDy 1.0 1.8 6.0 240 226 A 47 GLU HGx A 30 ARG HDx 1.0 1.8 5.0 241 227 A 30 ARG HBx A 47 GLU HGy 1.0 1.8 4.0 242 228 A 30 ARG HBx A 47 GLU HGx 1.0 1.8 4.0 243 229 A 31 HIS HBy A 42 PHE HBy 1.0 1.8 5.0 244 230 A 31 HIS HBx A 42 PHE HBy 1.0 1.8 5.0 245 231 A 31 HIS HBx A 42 PHE HBx 1.0 1.8 5.0 246 232 A 31 HIS HBy A 42 PHE HA 1.0 1.8 5.0 247 233 A 31 HIS HA A 46 ILE HD1% 1.0 1.8 5.5 248 234 A 31 HIS HA A 46 ILE HG1x 1.0 1.8 5.0 249 235 A 31 HIS HA A 46 ILE HG2% 1.0 1.8 4.0 250 236 A 31 HIS HA A 46 ILE HG1y 1.0 1.8 6.0 251 237 A 31 HIS H A 46 ILE HD1% 1.0 1.8 5.5 252 238 A 31 HIS H A 46 ILE HG2% 1.0 1.8 5.5 253 239 A 32 TYR H A 42 PHE HA 1.0 1.8 5.0 254 240 A 32 TYR HBx A 43 SER HBy 1.0 1.8 5.0 255 241 A 32 TYR HBx A 43 SER HBx 1.0 1.8 5.0 256 242 A 32 TYR H A 43 SER H 1.0 1.8 5.0 257 243 A 32 TYR HA A 46 ILE HD1% 1.0 1.8 5.5 258 244 A 46 ILE HD1% A 32 TYR HBy 1.0 1.8 6.5 259 245 A 32 TYR HBx A 46 ILE HD1% 1.0 1.8 6.5 260 246 A 46 ILE HG2% A 32 TYR HBy 1.0 1.8 5.5 261 247 A 32 TYR HBx A 46 ILE HG2% 1.0 1.8 5.5 262 248 A 32 TYR HA A 46 ILE HG2% 1.0 1.8 6.5 263 249 A 32 TYR H A 46 ILE HD1% 1.0 1.8 5.5 264 250 A 32 TYR H A 46 ILE HG2% 1.0 1.8 5.5 265 251 A 32 TYR HE% A 46 ILE HD1% 1.0 1.8 5.5 266 252 A 32 TYR HD% A 59 LEU HDx% 1.0 1.8 6.0 267 252 A 32 TYR HD% A 59 LEU HDy% 1.0 1.8 6.0 268 253 A 32 TYR HE% A 59 LEU HDy% 1.0 1.8 5.5 269 254 A 33 CYS HA A 40 LEU HDy% 1.0 1.8 5.5 270 255 A 33 CYS HBy A 40 LEU HDx% 1.0 1.8 5.0 271 256 A 40 LEU HDy% A 33 CYS HBy 1.0 1.8 5.0 272 257 A 33 CYS HBx A 40 LEU HDx% 1.0 1.8 5.0 273 258 A 33 CYS HBx A 40 LEU HDy% 1.0 1.8 5.0 274 259 A 33 CYS HA A 40 LEU HDx% 1.0 1.8 5.5 275 260 A 33 CYS HA A 41 SER H 1.0 1.8 5.0 276 261 A 42 PHE HA A 33 CYS HBy 1.0 1.8 5.0 277 262 A 33 CYS HBx A 42 PHE HA 1.0 1.8 5.5 278 263 A 33 CYS HA A 42 PHE HBy 1.0 1.8 5.0 279 264 A 33 CYS HA A 42 PHE HBx 1.0 1.8 5.0 280 265 A 33 CYS H A 110 TRP HZ2 1.0 1.8 5.0 281 266 A 34 ALA HB% A 40 LEU HDx% 1.0 1.8 6.0 282 267 A 34 ALA HA A 40 LEU HDx% 1.0 1.8 5.5 283 268 A 34 ALA H A 40 LEU HDx% 1.0 1.8 5.5 284 268 A 34 ALA H A 40 LEU HDy% 1.0 1.8 5.5 285 269 A 34 ALA HB% A 41 SER HBy 1.0 1.8 6.0 286 270 A 34 ALA HB% A 41 SER HBx 1.0 1.8 6.0 287 271 A 34 ALA H A 41 SER H 1.0 1.8 5.0 288 272 A 34 ALA HB% A 59 LEU HDx% 1.0 1.8 5.5 289 273 A 34 ALA HB% A 59 LEU HDy% 1.0 1.8 6.0 290 274 A 34 ALA HA A 110 TRP HZ3 1.0 1.8 5.0 291 275 A 35 ILE HA A 41 SER H 1.0 1.8 4.0 292 276 A 35 ILE HG1y A 41 SER H 1.0 1.8 5.0 293 277 A 35 ILE HD1% A 110 TRP HBy 1.0 1.8 6.5 294 278 A 35 ILE HD1% A 110 TRP HA 1.0 1.8 5.5 295 279 A 35 ILE H A 110 TRP HZ3 1.0 1.8 5.0 296 280 A 35 ILE HD1% A 110 TRP HE3 1.0 1.8 5.0 297 281 A 35 ILE HG1x A 110 TRP HH2 1.0 1.8 5.0 298 282 A 35 ILE HD1% A 113 SER HBy 1.0 1.8 5.0 299 283 A 35 ILE HG2% A 113 SER HBy 1.0 1.8 6.5 300 284 A 35 ILE HD1% A 113 SER HA 1.0 1.8 5.5 301 285 A 35 ILE HD1% A 113 SER HBx 1.0 1.8 5.0 302 286 A 35 ILE HD1% A 114 ILE HG1x 1.0 1.8 4.0 303 287 A 35 ILE HG2% A 117 ILE HD1% 1.0 1.8 4.0 304 288 A 35 ILE HG2% A 117 ILE HB 1.0 1.8 5.5 305 289 A 35 ILE HG2% A 117 ILE HG1y 1.0 1.8 5.5 306 290 A 38 ALA HA A 66 LEU HDy% 1.0 1.8 5.5 307 291 A 38 ALA HB% A 66 LEU HBx 1.0 1.8 5.5 308 292 A 38 ALA HB% A 66 LEU HDy% 1.0 1.8 5.5 309 293 A 38 ALA HB% A 66 LEU HA 1.0 1.8 6.5 310 294 A 38 ALA HB% A 67 ASN HD2x 1.0 1.8 5.5 311 295 A 38 ALA HB% A 67 ASN HD2y 1.0 1.8 5.5 312 296 A 38 ALA HB% A 67 ASN H 1.0 1.8 5.5 313 297 A 38 ALA HB% A 117 ILE HB 1.0 1.8 5.5 314 298 A 38 ALA HB% A 117 ILE HD1% 1.0 1.8 5.5 315 299 A 38 ALA HB% A 117 ILE HG1y 1.0 1.8 5.0 316 300 A 38 ALA HB% A 117 ILE HG2% 1.0 1.8 4.0 317 301 A 38 ALA HB% A 117 ILE HA 1.0 1.8 5.5 318 302 A 38 ALA HA A 117 ILE HG2% 1.0 1.8 4.0 319 303 A 38 ALA H A 117 ILE HG2% 1.0 1.8 5.5 320 304 A 39 LYS HA A 63 ILE HG2% 1.0 1.8 5.5 321 305 A 39 LYS HBy A 63 ILE HD1% 1.0 1.8 4.0 322 306 A 39 LYS HBy A 63 ILE HG2% 1.0 1.8 3.5 323 307 A 39 LYS HBx A 63 ILE HD1% 1.0 1.8 5.0 324 308 A 39 LYS HBx A 63 ILE HG2% 1.0 1.8 5.0 325 309 A 39 LYS HDy A 63 ILE HD1% 1.0 1.8 4.0 326 310 A 39 LYS HDy A 63 ILE HG2% 1.0 1.8 3.5 327 311 A 39 LYS HDx A 63 ILE HD1% 1.0 1.8 5.0 328 312 A 39 LYS HDx A 63 ILE HG2% 1.0 1.8 4.0 329 313 A 63 ILE HD1% A 39 LYS HE2 1.0 1.8 6.5 330 313 A 39 LYS HE3 A 63 ILE HD1% 1.0 1.8 6.5 331 314 A 63 ILE HG2% A 39 LYS HE2 1.0 1.8 5.5 332 314 A 39 LYS HE3 A 63 ILE HG2% 1.0 1.8 5.5 333 315 A 39 LYS HGy A 63 ILE HG2% 1.0 1.8 4.0 334 316 A 39 LYS HA A 64 LEU H 1.0 1.8 5.0 335 317 A 39 LYS HGy A 65 ASP HBy 1.0 1.8 6.0 336 318 A 39 LYS HGy A 65 ASP HBx 1.0 1.8 5.0 337 319 A 39 LYS HBx A 65 ASP HA 1.0 1.8 5.0 338 320 A 39 LYS HA A 65 ASP HA 1.0 1.8 4.0 339 321 A 39 LYS HDy A 65 ASP HA 1.0 1.8 3.5 340 322 A 39 LYS HDx A 65 ASP HA 1.0 1.8 4.0 341 323 A 65 ASP HA A 39 LYS HE2 1.0 1.8 4.0 342 323 A 39 LYS HE3 A 65 ASP HA 1.0 1.8 4.0 343 324 A 39 LYS HGy A 65 ASP HA 1.0 1.8 4.0 344 325 A 39 LYS HGx A 65 ASP HA 1.0 1.8 3.5 345 326 A 39 LYS HA A 66 LEU HDx% 1.0 1.8 5.0 346 327 A 39 LYS HA A 66 LEU HDy% 1.0 1.8 5.5 347 328 A 39 LYS HA A 66 LEU H 1.0 1.8 5.0 348 329 A 39 LYS H A 66 LEU HDy% 1.0 1.8 5.0 349 330 A 40 LEU HBx A 64 LEU HBy 1.0 1.8 4.0 350 331 A 40 LEU HDy% A 64 LEU HBy 1.0 1.8 5.0 351 332 A 40 LEU HBy A 64 LEU HBx 1.0 1.8 4.0 352 333 A 40 LEU HDy% A 64 LEU HBx 1.0 1.8 4.0 353 334 A 40 LEU HDy% A 64 LEU HDy% 1.0 1.8 5.5 354 335 A 64 LEU HBx A 40 LEU HDx% 1.0 1.8 5.0 355 336 A 40 LEU HG A 64 LEU H 1.0 1.8 4.0 356 337 A 40 LEU H A 64 LEU H 1.0 1.8 5.0 357 338 A 40 LEU HA A 66 LEU HDx% 1.0 1.8 5.5 358 339 A 40 LEU HA A 66 LEU HDy% 1.0 1.8 5.5 359 340 A 40 LEU H A 66 LEU H 1.0 1.8 5.0 360 341 A 40 LEU HDy% A 99 PHE HE% 1.0 1.8 5.0 361 342 A 40 LEU HDy% A 99 PHE HZ 1.0 1.8 5.5 362 343 A 110 TRP HH2 A 40 LEU HDx% 1.0 1.8 5.0 363 344 A 40 LEU HBy A 114 ILE HD1% 1.0 1.8 5.5 364 345 A 40 LEU HBy A 117 ILE HD1% 1.0 1.8 5.0 365 346 A 41 SER HBx A 60 CYS HBy 1.0 1.8 5.0 366 347 A 41 SER HBx A 60 CYS HBx 1.0 1.8 5.0 367 348 A 41 SER HBy A 60 CYS HA 1.0 1.8 5.0 368 349 A 41 SER HBx A 60 CYS HA 1.0 1.8 5.0 369 350 A 41 SER HBy A 60 CYS HBy 1.0 1.8 6.0 370 350 A 41 SER HBy A 60 CYS HBx 1.0 1.8 6.0 371 351 A 41 SER HA A 62 GLY H 1.0 1.8 5.0 372 352 A 41 SER HA A 63 ILE HG1y 1.0 1.8 5.0 373 353 A 41 SER HA A 63 ILE HG2% 1.0 1.8 5.5 374 354 A 41 SER HBy A 63 ILE HD1% 1.0 1.8 5.5 375 355 A 41 SER HBy A 63 ILE HG1x 1.0 1.8 6.0 376 356 A 41 SER HBy A 63 ILE HG2% 1.0 1.8 5.5 377 357 A 41 SER HBx A 63 ILE HD1% 1.0 1.8 5.5 378 358 A 41 SER HBx A 63 ILE HG1y 1.0 1.8 5.0 379 359 A 41 SER HBx A 63 ILE HG1x 1.0 1.8 4.0 380 360 A 41 SER HBx A 63 ILE HG2% 1.0 1.8 5.5 381 361 A 41 SER HA A 63 ILE HA 1.0 1.8 3.5 382 362 A 41 SER HBy A 63 ILE HA 1.0 1.8 5.0 383 363 A 41 SER HBx A 63 ILE HA 1.0 1.8 5.0 384 364 A 41 SER HA A 63 ILE HB 1.0 1.8 5.0 385 365 A 41 SER HA A 63 ILE HD1% 1.0 1.8 5.0 386 366 A 41 SER HBy A 63 ILE HG1y 1.0 1.8 5.0 387 367 A 41 SER HA A 63 ILE HG1x 1.0 1.8 5.0 388 368 A 41 SER HA A 63 ILE H 1.0 1.8 5.0 389 369 A 41 SER HA A 64 LEU H 1.0 1.8 5.0 390 370 A 42 PHE HD% A 61 ARG H 1.0 1.8 5.5 391 371 A 42 PHE H A 61 ARG H 1.0 1.8 5.0 392 372 A 42 PHE HD% A 61 ARG HBy 1.0 1.8 5.0 393 373 A 42 PHE HD% A 61 ARG HG2 1.0 1.8 5.5 394 373 A 42 PHE HD% A 61 ARG HG3 1.0 1.8 5.5 395 374 A 42 PHE HD% A 62 GLY H 1.0 1.8 5.5 396 375 A 42 PHE HE% A 62 GLY H 1.0 1.8 5.5 397 376 A 42 PHE H A 62 GLY H 1.0 1.8 5.0 398 377 A 42 PHE HE% A 63 ILE H 1.0 1.8 5.5 399 378 A 63 ILE H A 42 PHE HZ 1.0 1.8 5.0 400 379 A 42 PHE H A 63 ILE HA 1.0 1.8 5.0 401 380 A 42 PHE H A 63 ILE H 1.0 1.8 5.0 402 381 A 42 PHE HD% A 64 LEU H 1.0 1.8 5.5 403 382 A 42 PHE HE% A 64 LEU H 1.0 1.8 5.5 404 383 A 42 PHE H A 64 LEU H 1.0 1.8 5.0 405 384 A 42 PHE HD% A 64 LEU HBx 1.0 1.8 5.5 406 385 A 42 PHE HE% A 64 LEU HBx 1.0 1.8 5.5 407 386 A 42 PHE HD% A 64 LEU HDx% 1.0 1.8 4.0 408 387 A 42 PHE HD% A 64 LEU HDy% 1.0 1.8 6.0 409 388 A 42 PHE HE% A 64 LEU HDy% 1.0 1.8 6.0 410 389 A 43 SER HA A 59 LEU HA 1.0 1.8 5.0 411 390 A 59 LEU HA A 43 SER HBx 1.0 1.8 4.0 412 391 A 43 SER HA A 59 LEU HDx% 1.0 1.8 5.5 413 392 A 43 SER HBy A 59 LEU HDx% 1.0 1.8 5.5 414 393 A 43 SER HBx A 59 LEU HDx% 1.0 1.8 5.5 415 394 A 43 SER HA A 59 LEU HDy% 1.0 1.8 5.5 416 395 A 43 SER HBx A 59 LEU HG 1.0 1.8 5.0 417 396 A 43 SER H A 59 LEU HDx% 1.0 1.8 5.5 418 397 A 43 SER HA A 60 CYS HA 1.0 1.8 3.5 419 398 A 60 CYS HA A 43 SER HBx 1.0 1.8 5.0 420 399 A 43 SER HA A 60 CYS HBy 1.0 1.8 6.0 421 399 A 43 SER HA A 60 CYS HBx 1.0 1.8 6.0 422 400 A 43 SER HA A 61 ARG HA 1.0 1.8 5.0 423 401 A 43 SER HA A 61 ARG HBy 1.0 1.8 5.0 424 401 A 43 SER HA A 61 ARG HBx 1.0 1.8 5.0 425 402 A 43 SER HA A 61 ARG HG2 1.0 1.8 5.0 426 402 A 43 SER HA A 61 ARG HG3 1.0 1.8 5.0 427 403 A 43 SER HA A 61 ARG H 1.0 1.8 5.0 428 404 A 43 SER H A 61 ARG H 1.0 1.8 5.0 429 405 A 44 ASP HBy A 57 GLY HA2 1.0 1.8 5.0 430 405 A 44 ASP HBy A 57 GLY HA3 1.0 1.8 5.0 431 406 A 44 ASP HBx A 57 GLY HA2 1.0 1.8 5.0 432 406 A 44 ASP HBx A 57 GLY HA3 1.0 1.8 5.0 433 407 A 44 ASP H A 59 LEU HDx% 1.0 1.8 5.5 434 408 A 44 ASP HA A 61 ARG HBy 1.0 1.8 4.0 435 409 A 44 ASP HA A 61 ARG HBx 1.0 1.8 5.0 436 410 A 44 ASP HA A 61 ARG HDy 1.0 1.8 5.0 437 411 A 44 ASP HA A 61 ARG HDx 1.0 1.8 4.0 438 412 A 44 ASP HA A 61 ARG HBy 1.0 1.8 4.0 439 412 A 44 ASP HA A 61 ARG HBx 1.0 1.8 4.0 440 413 A 44 ASP HA A 61 ARG HDx 1.0 1.8 4.0 441 413 A 44 ASP HA A 61 ARG HDy 1.0 1.8 4.0 442 414 A 44 ASP HA A 61 ARG HG2 1.0 1.8 4.0 443 414 A 44 ASP HA A 61 ARG HG3 1.0 1.8 4.0 444 415 A 44 ASP H A 61 ARG HBy 1.0 1.8 5.0 445 415 A 44 ASP H A 61 ARG HBx 1.0 1.8 5.0 446 416 A 44 ASP H A 61 ARG HG2 1.0 1.8 5.0 447 416 A 44 ASP H A 61 ARG HG3 1.0 1.8 5.0 448 417 A 49 THR HG2% A 57 GLY HA2 1.0 1.8 5.5 449 417 A 49 THR HG2% A 57 GLY HA3 1.0 1.8 5.5 450 418 A 64 LEU HG A 71 VAL HGx% 1.0 1.8 6.5 451 419 A 64 LEU HBy A 87 LEU HDx% 1.0 1.8 5.5 452 420 A 64 LEU HBx A 87 LEU HDx% 1.0 1.8 5.5 453 421 A 64 LEU HDx% A 87 LEU HDx% 1.0 1.8 4.0 454 422 A 64 LEU HDy% A 87 LEU HDx% 1.0 1.8 5.0 455 423 A 64 LEU HG A 87 LEU HDy% 1.0 1.8 5.0 456 424 A 64 LEU HA A 97 VAL HGy% 1.0 1.8 6.5 457 425 A 64 LEU HDx% A 97 VAL HGx% 1.0 1.8 4.0 458 426 A 64 LEU HDy% A 97 VAL HB 1.0 1.8 5.0 459 427 A 64 LEU HDy% A 97 VAL HGx% 1.0 1.8 5.5 460 428 A 64 LEU HDy% A 97 VAL HGy% 1.0 1.8 5.0 461 429 A 64 LEU HG A 97 VAL HGy% 1.0 1.8 5.5 462 430 A 64 LEU HDx% A 99 PHE HE% 1.0 1.8 6.0 463 431 A 64 LEU HDx% A 99 PHE HZ 1.0 1.8 5.5 464 432 A 66 LEU HA A 87 LEU HDx% 1.0 1.8 5.5 465 433 A 114 ILE HA A 66 LEU HDy% 1.0 1.8 5.5 466 434 A 114 ILE HD1% A 66 LEU HDy% 1.0 1.8 5.0 467 435 A 66 LEU HBy A 117 ILE HG2% 1.0 1.8 4.0 468 436 A 66 LEU HBx A 117 ILE HG2% 1.0 1.8 4.0 469 437 A 66 LEU HA A 117 ILE HG2% 1.0 1.8 4.0 470 438 A 117 ILE H A 66 LEU HDx% 1.0 1.8 5.5 471 439 A 66 LEU HA A 118 THR HG2% 1.0 1.8 5.5 472 440 A 66 LEU HBy A 118 THR HG2% 1.0 1.8 5.0 473 441 A 66 LEU HBx A 118 THR HG2% 1.0 1.8 5.0 474 442 A 118 THR HG2% A 66 LEU HDy% 1.0 1.8 5.0 475 443 A 118 THR H A 66 LEU HDx% 1.0 1.8 5.5 476 444 A 67 ASN HA A 117 ILE HG2% 1.0 1.8 5.0 477 445 A 67 ASN HD2x A 117 ILE HG2% 1.0 1.8 5.5 478 446 A 67 ASN HD2y A 117 ILE HG2% 1.0 1.8 5.5 479 447 A 67 ASN HA A 118 THR HG2% 1.0 1.8 5.5 480 448 A 67 ASN HA A 118 THR HA 1.0 1.8 6.0 481 449 A 67 ASN H A 118 THR HG2% 1.0 1.8 5.5 482 450 A 68 THR HA A 90 LYS HBx 1.0 1.8 6.0 483 451 A 68 THR HA A 90 LYS HDy 1.0 1.8 4.0 484 452 A 68 THR HA A 90 LYS HDx 1.0 1.8 5.0 485 453 A 68 THR HA A 90 LYS HE3 1.0 1.8 5.5 486 454 A 68 THR HA A 90 LYS HE2 1.0 1.8 5.5 487 455 A 68 THR HG2% A 90 LYS HDy 1.0 1.8 6.0 488 456 A 68 THR HG2% A 90 LYS HDx 1.0 1.8 6.0 489 457 A 68 THR HG2% A 90 LYS HA 1.0 1.8 5.5 490 458 A 68 THR HA A 90 LYS HBy 1.0 1.8 4.0 491 459 A 68 THR HB A 90 LYS HDy 1.0 1.8 5.0 492 460 A 68 THR HA A 90 LYS HGx 1.0 1.8 5.0 493 461 A 68 THR HG2% A 91 GLN HGy 1.0 1.8 5.5 494 462 A 69 TYR HBy A 87 LEU HDx% 1.0 1.8 6.5 495 463 A 69 TYR HBx A 87 LEU HDx% 1.0 1.8 6.5 496 464 A 69 TYR HBy A 87 LEU HBy 1.0 1.8 5.0 497 465 A 69 TYR HBx A 87 LEU HBy 1.0 1.8 5.0 498 466 A 69 TYR HBy A 87 LEU HBx 1.0 1.8 6.0 499 467 A 69 TYR HBx A 87 LEU HBx 1.0 1.8 5.0 500 468 A 69 TYR HBy A 87 LEU HDy% 1.0 1.8 5.0 501 469 A 69 TYR HBx A 87 LEU HDy% 1.0 1.8 5.0 502 470 A 69 TYR HBy A 87 LEU HA 1.0 1.8 6.0 503 471 A 69 TYR HBx A 87 LEU HA 1.0 1.8 6.0 504 472 A 69 TYR HA A 87 LEU HBy 1.0 1.8 5.0 505 473 A 69 TYR HA A 87 LEU HDy% 1.0 1.8 5.5 506 474 A 69 TYR HD% A 87 LEU H 1.0 1.8 5.5 507 475 A 69 TYR HE% A 87 LEU H 1.0 1.8 5.5 508 476 A 69 TYR H A 87 LEU HDy% 1.0 1.8 5.5 509 477 A 69 TYR HD% A 87 LEU HBx 1.0 1.8 5.5 510 478 A 69 TYR HD% A 87 LEU HDx% 1.0 1.8 6.0 511 479 A 69 TYR HD% A 87 LEU HDy% 1.0 1.8 5.0 512 480 A 69 TYR HBy A 88 GLU H 1.0 1.8 5.0 513 481 A 69 TYR HBx A 88 GLU H 1.0 1.8 5.0 514 482 A 69 TYR HD% A 88 GLU H 1.0 1.8 5.5 515 483 A 69 TYR HA A 89 PRO HBx 1.0 1.8 5.0 516 484 A 69 TYR HA A 89 PRO HA 1.0 1.8 4.0 517 485 A 69 TYR HBy A 89 PRO HA 1.0 1.8 6.0 518 486 A 69 TYR HBx A 89 PRO HA 1.0 1.8 6.0 519 487 A 69 TYR HA A 89 PRO HBy 1.0 1.8 5.0 520 488 A 69 TYR HA A 89 PRO HG2 1.0 1.8 5.5 521 488 A 69 TYR HA A 89 PRO HG3 1.0 1.8 5.5 522 489 A 69 TYR HD% A 89 PRO HA 1.0 1.8 4.0 523 490 A 69 TYR HE% A 89 PRO HA 1.0 1.8 5.5 524 491 A 69 TYR HE% A 89 PRO HD2 1.0 1.8 5.5 525 491 A 69 TYR HE% A 89 PRO HD3 1.0 1.8 5.5 526 492 A 69 TYR HE% A 89 PRO HG2 1.0 1.8 5.0 527 492 A 69 TYR HE% A 89 PRO HG3 1.0 1.8 5.0 528 493 A 69 TYR HA A 90 LYS HGy 1.0 1.8 5.0 529 494 A 69 TYR HA A 90 LYS HBy 1.0 1.8 5.5 530 495 A 69 TYR HA A 90 LYS HDy 1.0 1.8 5.0 531 496 A 69 TYR HA A 90 LYS HGx 1.0 1.8 5.0 532 497 A 69 TYR HA A 90 LYS H 1.0 1.8 5.0 533 498 A 69 TYR HD% A 90 LYS H 1.0 1.8 5.5 534 499 A 69 TYR HE% A 90 LYS H 1.0 1.8 5.5 535 500 A 69 TYR HA A 91 GLN H 1.0 1.8 5.0 536 501 A 69 TYR HD% A 91 GLN H 1.0 1.8 6.0 537 502 A 69 TYR HD% A 97 VAL H 1.0 1.8 5.5 538 503 A 69 TYR HE% A 97 VAL H 1.0 1.8 5.5 539 504 A 69 TYR HE% A 97 VAL HGy% 1.0 1.8 5.0 540 505 A 69 TYR HBy A 118 THR HG2% 1.0 1.8 6.5 541 506 A 70 ASN HA A 87 LEU HDy% 1.0 1.8 5.5 542 507 A 70 ASN H A 87 LEU HBy 1.0 1.8 5.0 543 508 A 70 ASN H A 87 LEU HDy% 1.0 1.8 5.5 544 509 A 70 ASN HBy A 88 GLU HBy 1.0 1.8 4.0 545 510 A 70 ASN HBy A 88 GLU HGy 1.0 1.8 6.0 546 511 A 70 ASN HBy A 88 GLU HGx 1.0 1.8 6.0 547 512 A 70 ASN HBx A 88 GLU HBy 1.0 1.8 5.0 548 513 A 70 ASN HBx A 88 GLU HBx 1.0 1.8 5.0 549 514 A 70 ASN HBy A 88 GLU HBx 1.0 1.8 4.0 550 515 A 70 ASN HBy A 88 GLU H 1.0 1.8 5.0 551 516 A 70 ASN HBx A 88 GLU H 1.0 1.8 5.0 552 517 A 70 ASN H A 88 GLU HA 1.0 1.8 5.0 553 518 A 70 ASN HD2x A 88 GLU HBx 1.0 1.8 5.0 554 518 A 70 ASN HD2x A 88 GLU HBy 1.0 1.8 5.0 555 519 A 70 ASN HD2y A 88 GLU HBx 1.0 1.8 5.0 556 519 A 70 ASN HD2y A 88 GLU HBy 1.0 1.8 5.0 557 520 A 70 ASN H A 88 GLU HBx 1.0 1.8 5.0 558 520 A 70 ASN H A 88 GLU HBy 1.0 1.8 5.0 559 521 A 70 ASN H A 89 PRO HA 1.0 1.8 5.0 560 522 A 70 ASN HD2x A 90 LYS HBy 1.0 1.8 5.0 561 523 A 70 ASN H A 90 LYS H 1.0 1.8 5.5 562 524 A 70 ASN HD2x A 90 LYS HA 1.0 1.8 5.0 563 525 A 70 ASN HD2y A 90 LYS HA 1.0 1.8 5.0 564 526 A 70 ASN HD2x A 90 LYS HGy 1.0 1.8 5.0 565 527 A 70 ASN HD2y A 90 LYS HGy 1.0 1.8 5.0 566 528 A 70 ASN H A 90 LYS HGy 1.0 1.8 5.0 567 529 A 70 ASN HD2x A 90 LYS HGx 1.0 1.8 5.0 568 530 A 70 ASN HD2y A 90 LYS HGx 1.0 1.8 5.0 569 531 A 70 ASN H A 90 LYS HGx 1.0 1.8 5.0 570 532 A 70 ASN HA A 118 THR HA 1.0 1.8 6.0 571 533 A 70 ASN HA A 118 THR HB 1.0 1.8 5.0 572 534 A 70 ASN HA A 118 THR HG2% 1.0 1.8 5.5 573 535 A 71 VAL HGy% A 85 PHE HBy 1.0 1.8 4.0 574 536 A 71 VAL HGy% A 85 PHE HBx 1.0 1.8 5.0 575 537 A 71 VAL HGy% A 85 PHE HA 1.0 1.8 6.5 576 538 A 71 VAL HGx% A 85 PHE HBy 1.0 1.8 6.5 577 539 A 71 VAL HGx% A 85 PHE HD% 1.0 1.8 6.0 578 540 A 71 VAL HGy% A 85 PHE HE% 1.0 1.8 6.0 579 541 A 71 VAL HGy% A 85 PHE HD% 1.0 1.8 4.0 580 542 A 71 VAL HA A 86 ILE H 1.0 1.8 5.0 581 543 A 71 VAL HGy% A 87 LEU HG 1.0 1.8 5.5 582 544 A 71 VAL HGy% A 87 LEU HDy% 1.0 1.8 4.0 583 545 A 71 VAL HB A 87 LEU HA 1.0 1.8 6.0 584 546 A 71 VAL HGx% A 87 LEU HDy% 1.0 1.8 4.0 585 547 A 71 VAL HA A 87 LEU HA 1.0 1.8 4.0 586 548 A 71 VAL HGy% A 87 LEU HA 1.0 1.8 5.0 587 549 A 71 VAL HA A 87 LEU HDy% 1.0 1.8 4.0 588 550 A 71 VAL HA A 87 LEU H 1.0 1.8 5.0 589 551 A 71 VAL HA A 88 GLU H 1.0 1.8 5.0 590 552 A 71 VAL H A 88 GLU H 1.0 1.8 5.0 591 553 A 71 VAL HGx% A 111 PHE HA 1.0 1.8 5.5 592 554 A 71 VAL HGy% A 111 PHE HA 1.0 1.8 5.5 593 555 A 71 VAL HGy% A 111 PHE HBx 1.0 1.8 6.5 594 556 A 71 VAL HGx% A 112 GLN HA 1.0 1.8 6.5 595 557 A 71 VAL HA A 114 ILE HD1% 1.0 1.8 6.5 596 558 A 71 VAL HA A 114 ILE HG2% 1.0 1.8 6.5 597 559 A 71 VAL HB A 114 ILE HG2% 1.0 1.8 5.0 598 560 A 71 VAL HGy% A 114 ILE HD1% 1.0 1.8 5.5 599 561 A 71 VAL HGy% A 114 ILE HG2% 1.0 1.8 5.0 600 562 A 71 VAL HB A 114 ILE HB 1.0 1.8 5.5 601 563 A 71 VAL HGx% A 114 ILE HB 1.0 1.8 5.0 602 564 A 71 VAL HGy% A 114 ILE HB 1.0 1.8 5.0 603 565 A 71 VAL HGx% A 114 ILE HG1x 1.0 1.8 5.5 604 566 A 71 VAL HGx% A 115 ARG HDy 1.0 1.8 5.0 605 567 A 71 VAL HGx% A 115 ARG HDx 1.0 1.8 5.0 606 568 A 71 VAL HGx% A 115 ARG HA 1.0 1.8 5.0 607 569 A 71 VAL HGx% A 115 ARG HBy 1.0 1.8 4.0 608 570 A 71 VAL HGx% A 115 ARG HBx 1.0 1.8 5.0 609 571 A 71 VAL HGx% A 115 ARG HG2 1.0 1.8 4.0 610 571 A 71 VAL HGx% A 115 ARG HG3 1.0 1.8 4.0 611 572 A 71 VAL HGy% A 115 ARG HDx 1.0 1.8 6.5 612 573 A 71 VAL HGx% A 116 GLU H 1.0 1.8 5.5 613 574 A 71 VAL HGx% A 118 THR HG2% 1.0 1.8 5.5 614 575 A 71 VAL HGx% A 118 THR H 1.0 1.8 5.5 615 576 A 72 VAL H A 85 PHE HBy 1.0 1.8 5.5 616 577 A 72 VAL H A 85 PHE HBx 1.0 1.8 5.5 617 578 A 72 VAL H A 85 PHE HD% 1.0 1.8 5.5 618 579 A 72 VAL H A 85 PHE HE% 1.0 1.8 5.5 619 580 A 72 VAL HB A 86 ILE HB 1.0 1.8 4.0 620 581 A 72 VAL HGx% A 86 ILE HB 1.0 1.8 4.0 621 582 A 72 VAL HGy% A 86 ILE HB 1.0 1.8 5.0 622 583 A 72 VAL HB A 86 ILE HD1% 1.0 1.8 5.0 623 584 A 72 VAL HGx% A 86 ILE HG1x 1.0 1.8 5.0 624 585 A 72 VAL HB A 86 ILE H 1.0 1.8 5.0 625 586 A 72 VAL H A 86 ILE HD1% 1.0 1.8 5.5 626 587 A 72 VAL H A 87 LEU HA 1.0 1.8 5.0 627 588 A 72 VAL HGx% A 88 GLU HBy 1.0 1.8 5.0 628 589 A 72 VAL HGx% A 88 GLU HBx 1.0 1.8 5.0 629 590 A 72 VAL HGx% A 88 GLU HGx 1.0 1.8 4.0 630 591 A 72 VAL HGy% A 88 GLU HGx 1.0 1.8 4.0 631 592 A 73 LYS HA A 85 PHE HBx 1.0 1.8 5.0 632 593 A 73 LYS HA A 85 PHE HA 1.0 1.8 3.5 633 594 A 73 LYS HBy A 85 PHE HA 1.0 1.8 5.0 634 595 A 73 LYS HBx A 85 PHE HA 1.0 1.8 6.0 635 596 A 73 LYS HA A 85 PHE HBy 1.0 1.8 5.0 636 597 A 73 LYS H A 85 PHE HA 1.0 1.8 5.0 637 598 A 73 LYS H A 85 PHE HD% 1.0 1.8 5.5 638 599 A 73 LYS H A 85 PHE HE% 1.0 1.8 5.5 639 600 A 85 PHE HD% A 73 LYS HG2 1.0 1.8 4.0 640 600 A 73 LYS HG3 A 85 PHE HD% 1.0 1.8 4.0 641 601 A 73 LYS HA A 86 ILE H 1.0 1.8 5.0 642 602 A 73 LYS HDx A 107 LEU HDx% 1.0 1.8 5.0 643 603 A 107 LEU HDx% A 73 LYS HE2 1.0 1.8 5.5 644 603 A 73 LYS HE3 A 107 LEU HDx% 1.0 1.8 5.5 645 604 A 111 PHE HD% A 73 LYS HG2 1.0 1.8 5.5 646 604 A 73 LYS HG3 A 111 PHE HD% 1.0 1.8 5.5 647 605 A 74 ALA HB% A 84 VAL HB 1.0 1.8 4.0 648 606 A 74 ALA HB% A 84 VAL HA 1.0 1.8 6.5 649 607 A 74 ALA HB% A 84 VAL HGx% 1.0 1.8 4.0 650 608 A 74 ALA HB% A 84 VAL HGy% 1.0 1.8 4.0 651 609 A 74 ALA HB% A 84 VAL H 1.0 1.8 5.0 652 610 A 74 ALA H A 84 VAL HB 1.0 1.8 5.0 653 611 A 74 ALA HB% A 85 PHE HA 1.0 1.8 5.5 654 612 A 74 ALA H A 85 PHE HA 1.0 1.8 5.0 655 613 A 74 ALA H A 85 PHE HBy 1.0 1.8 5.0 656 614 A 74 ALA H A 85 PHE HBx 1.0 1.8 5.0 657 615 A 74 ALA H A 85 PHE HD% 1.0 1.8 5.5 658 616 A 74 ALA HB% A 86 ILE HB 1.0 1.8 5.5 659 617 A 74 ALA HB% A 86 ILE HD1% 1.0 1.8 4.0 660 618 A 74 ALA HB% A 86 ILE HG1x 1.0 1.8 3.5 661 619 A 74 ALA HA A 86 ILE HD1% 1.0 1.8 5.5 662 620 A 74 ALA HB% A 86 ILE HG1y 1.0 1.8 5.0 663 621 A 74 ALA H A 86 ILE H 1.0 1.8 5.0 664 622 A 74 ALA H A 86 ILE HD1% 1.0 1.8 5.5 665 623 A 75 PRO HDx A 86 ILE HD1% 1.0 1.8 5.5 666 624 A 77 GLY HA3 A 84 VAL HB 1.0 1.8 5.0 667 625 A 77 GLY HA2 A 84 VAL HB 1.0 1.8 5.0 668 626 A 77 GLY HA3 A 84 VAL HGx% 1.0 1.8 5.0 669 627 A 77 GLY HA2 A 84 VAL HGx% 1.0 1.8 5.0 670 628 A 77 GLY HA3 A 84 VAL HGy% 1.0 1.8 5.5 671 629 A 77 GLY HA2 A 84 VAL HGy% 1.0 1.8 5.5 672 630 A 77 GLY HA3 A 84 VAL H 1.0 1.8 5.0 673 631 A 77 GLY H A 84 VAL HB 1.0 1.8 5.0 674 632 A 77 GLY H A 84 VAL HGx% 1.0 1.8 5.5 675 633 A 77 GLY H A 84 VAL HGy% 1.0 1.8 5.5 676 634 A 78 LYS HBy A 84 VAL HGx% 1.0 1.8 5.0 677 635 A 78 LYS HBy A 84 VAL HGy% 1.0 1.8 4.0 678 636 A 78 LYS HBx A 84 VAL HGx% 1.0 1.8 4.0 679 637 A 78 LYS HBx A 84 VAL HGy% 1.0 1.8 4.0 680 638 A 84 VAL HGy% A 78 LYS HD2 1.0 1.8 4.0 681 638 A 78 LYS HD3 A 84 VAL HGy% 1.0 1.8 4.0 682 639 A 78 LYS HGy A 84 VAL HGx% 1.0 1.8 5.5 683 640 A 78 LYS HA A 84 VAL HGx% 1.0 1.8 5.5 684 641 A 78 LYS HA A 84 VAL HGy% 1.0 1.8 5.5 685 642 A 78 LYS HE3 A 84 VAL HGy% 1.0 1.8 5.5 686 643 A 78 LYS H A 84 VAL HGx% 1.0 1.8 4.0 687 644 A 86 ILE HD1% A 78 LYS HD2 1.0 1.8 3.5 688 644 A 78 LYS HD3 A 86 ILE HD1% 1.0 1.8 3.5 689 645 A 78 LYS HE2 A 86 ILE HD1% 1.0 1.8 5.5 690 646 A 78 LYS HBy A 86 ILE HD1% 1.0 1.8 5.5 691 647 A 78 LYS HE3 A 86 ILE HD1% 1.0 1.8 5.5 692 648 A 78 LYS HGy A 86 ILE HD1% 1.0 1.8 5.5 693 649 A 78 LYS HGx A 86 ILE HD1% 1.0 1.8 5.5 694 650 A 78 LYS H A 100 ALA HB% 1.0 1.8 5.5 695 651 A 81 LYS HBy A 100 ALA HB% 1.0 1.8 5.0 696 652 A 81 LYS HBx A 100 ALA HB% 1.0 1.8 5.0 697 653 A 81 LYS HDy A 100 ALA HB% 1.0 1.8 5.0 698 654 A 81 LYS HDx A 100 ALA HB% 1.0 1.8 4.0 699 655 A 81 LYS HE3 A 100 ALA HB% 1.0 1.8 5.0 700 656 A 81 LYS HE2 A 100 ALA HB% 1.0 1.8 5.0 701 657 A 81 LYS HGy A 100 ALA HB% 1.0 1.8 4.0 702 658 A 81 LYS HA A 100 ALA HB% 1.0 1.8 5.5 703 659 A 81 LYS HDx A 101 THR H 1.0 1.8 5.0 704 660 A 82 SER H A 100 ALA HB% 1.0 1.8 5.5 705 661 A 83 PHE H A 100 ALA HB% 1.0 1.8 5.5 706 662 A 83 PHE HBy A 101 THR H 1.0 1.8 5.0 707 663 A 83 PHE HBx A 101 THR H 1.0 1.8 5.0 708 664 A 83 PHE HD% A 101 THR H 1.0 1.8 5.5 709 665 A 83 PHE HD% A 103 ARG H 1.0 1.8 5.5 710 666 A 83 PHE HE% A 103 ARG H 1.0 1.8 5.5 711 667 A 83 PHE HA A 104 VAL HGx% 1.0 1.8 6.5 712 667 A 83 PHE HA A 104 VAL HGy% 1.0 1.8 6.5 713 668 A 83 PHE HD% A 104 VAL H 1.0 1.8 5.5 714 669 A 83 PHE HE% A 104 VAL H 1.0 1.8 5.5 715 670 A 83 PHE HD% A 104 VAL HGy% 1.0 1.8 5.5 716 671 A 83 PHE HE% A 104 VAL HGy% 1.0 1.8 5.5 717 672 A 83 PHE HBx A 107 LEU HDx% 1.0 1.8 5.0 718 673 A 83 PHE HBy A 107 LEU HBy 1.0 1.8 5.0 719 674 A 83 PHE HBx A 107 LEU HBy 1.0 1.8 5.0 720 675 A 83 PHE HBy A 107 LEU HBx 1.0 1.8 6.0 721 676 A 83 PHE HBx A 107 LEU HBx 1.0 1.8 5.0 722 677 A 83 PHE HBy A 107 LEU HDx% 1.0 1.8 5.0 723 678 A 83 PHE HBy A 107 LEU HDy% 1.0 1.8 5.0 724 679 A 83 PHE HBx A 107 LEU HDy% 1.0 1.8 5.0 725 680 A 83 PHE HA A 107 LEU HDx% 1.0 1.8 4.0 726 681 A 83 PHE HA A 107 LEU HDy% 1.0 1.8 5.0 727 682 A 83 PHE HD% A 107 LEU HDy% 1.0 1.8 6.0 728 683 A 84 VAL HGx% A 98 GLU HBy 1.0 1.8 5.0 729 684 A 84 VAL HGx% A 98 GLU HBx 1.0 1.8 5.5 730 685 A 84 VAL HGx% A 98 GLU HGy 1.0 1.8 5.0 731 686 A 84 VAL HGx% A 98 GLU HGx 1.0 1.8 5.0 732 687 A 84 VAL HGy% A 98 GLU HBy 1.0 1.8 5.0 733 688 A 84 VAL HGy% A 98 GLU HBx 1.0 1.8 5.5 734 689 A 84 VAL HGy% A 98 GLU HGy 1.0 1.8 5.0 735 690 A 84 VAL HGy% A 98 GLU HGx 1.0 1.8 4.0 736 691 A 84 VAL HGy% A 99 PHE H 1.0 1.8 5.0 737 692 A 84 VAL HA A 100 ALA HB% 1.0 1.8 5.0 738 693 A 84 VAL HB A 100 ALA HB% 1.0 1.8 5.5 739 694 A 84 VAL HGx% A 100 ALA HB% 1.0 1.8 4.0 740 695 A 84 VAL HGy% A 100 ALA HB% 1.0 1.8 5.0 741 696 A 84 VAL HA A 100 ALA HA 1.0 1.8 3.5 742 697 A 84 VAL HB A 100 ALA HA 1.0 1.8 6.0 743 698 A 84 VAL HGx% A 100 ALA HA 1.0 1.8 5.0 744 699 A 84 VAL HGy% A 100 ALA HA 1.0 1.8 5.0 745 700 A 84 VAL HA A 100 ALA H 1.0 1.8 5.0 746 701 A 84 VAL HA A 101 THR H 1.0 1.8 5.0 747 702 A 84 VAL HA A 107 LEU HDy% 1.0 1.8 5.0 748 703 A 85 PHE HD% A 99 PHE H 1.0 1.8 5.5 749 704 A 85 PHE H A 100 ALA HA 1.0 1.8 5.0 750 705 A 85 PHE HA A 107 LEU HDy% 1.0 1.8 5.5 751 706 A 85 PHE HBx A 107 LEU HDy% 1.0 1.8 5.0 752 707 A 85 PHE HBx A 107 LEU HDx% 1.0 1.8 6.0 753 708 A 85 PHE HBy A 111 PHE HA 1.0 1.8 5.5 754 709 A 85 PHE HBx A 111 PHE HA 1.0 1.8 5.0 755 710 A 86 ILE HG2% A 96 PRO HBx 1.0 1.8 5.0 756 711 A 86 ILE HG2% A 96 PRO HA 1.0 1.8 5.5 757 712 A 86 ILE HA A 98 GLU HGy 1.0 1.8 5.5 758 713 A 86 ILE HA A 98 GLU HGx 1.0 1.8 5.5 759 714 A 86 ILE HD1% A 98 GLU HBy 1.0 1.8 6.5 760 715 A 86 ILE HD1% A 98 GLU HGy 1.0 1.8 5.0 761 716 A 86 ILE HB A 98 GLU HA 1.0 1.8 5.0 762 717 A 86 ILE HD1% A 98 GLU HA 1.0 1.8 5.0 763 718 A 86 ILE HG1x A 98 GLU HA 1.0 1.8 4.0 764 719 A 86 ILE HG2% A 98 GLU HA 1.0 1.8 4.0 765 720 A 86 ILE HG1y A 98 GLU HGy 1.0 1.8 4.0 766 721 A 86 ILE HG1x A 98 GLU HGy 1.0 1.8 4.0 767 722 A 86 ILE HD1% A 98 GLU HGx 1.0 1.8 4.0 768 723 A 86 ILE HG1y A 98 GLU HGx 1.0 1.8 4.0 769 724 A 86 ILE HG1y A 98 GLU HA 1.0 1.8 3.5 770 725 A 87 LEU HBy A 97 VAL HB 1.0 1.8 4.0 771 726 A 87 LEU HDx% A 97 VAL HB 1.0 1.8 5.0 772 727 A 87 LEU HDx% A 97 VAL HGy% 1.0 1.8 5.0 773 728 A 87 LEU HBx A 97 VAL HGx% 1.0 1.8 6.5 774 729 A 87 LEU HDx% A 97 VAL HGx% 1.0 1.8 6.0 775 730 A 87 LEU HBy A 97 VAL H 1.0 1.8 5.0 776 731 A 87 LEU HDx% A 97 VAL H 1.0 1.8 5.5 777 732 A 87 LEU H A 97 VAL H 1.0 1.8 5.0 778 733 A 87 LEU H A 97 VAL HGx% 1.0 1.8 5.5 779 734 A 87 LEU H A 99 PHE H 1.0 1.8 5.0 780 735 A 87 LEU HBx A 99 PHE HE% 1.0 1.8 5.0 781 736 A 87 LEU HDx% A 99 PHE HE% 1.0 1.8 5.5 782 737 A 87 LEU HDx% A 99 PHE HZ 1.0 1.8 5.5 783 738 A 87 LEU HDy% A 99 PHE HD% 1.0 1.8 5.0 784 739 A 87 LEU HG A 99 PHE HD% 1.0 1.8 5.5 785 740 A 87 LEU HDy% A 111 PHE HE% 1.0 1.8 6.0 786 741 A 87 LEU HA A 114 ILE HD1% 1.0 1.8 6.5 787 742 A 87 LEU HDy% A 114 ILE HB 1.0 1.8 5.5 788 743 A 87 LEU HDy% A 118 THR HG2% 1.0 1.8 5.5 789 744 A 88 GLU HA A 96 PRO HBy 1.0 1.8 5.0 790 745 A 88 GLU HA A 96 PRO HBx 1.0 1.8 5.0 791 746 A 96 PRO HA A 88 GLU HBx 1.0 1.8 5.5 792 747 A 88 GLU HA A 96 PRO HA 1.0 1.8 4.0 793 748 A 88 GLU HGy A 96 PRO HA 1.0 1.8 5.0 794 749 A 96 PRO HA A 89 PRO HD2 1.0 1.8 3.5 795 749 A 89 PRO HD3 A 96 PRO HA 1.0 1.8 3.5 796 750 A 96 PRO HBy A 89 PRO HD2 1.0 1.8 5.0 797 750 A 89 PRO HD3 A 96 PRO HBy 1.0 1.8 5.0 798 751 A 96 PRO HBx A 89 PRO HD2 1.0 1.8 4.0 799 751 A 89 PRO HD3 A 96 PRO HBx 1.0 1.8 4.0 800 752 A 97 VAL HGy% A 89 PRO HD2 1.0 1.8 6.5 801 752 A 89 PRO HD3 A 97 VAL HGy% 1.0 1.8 6.5 802 753 A 97 VAL HGx% A 114 ILE HD1% 1.0 1.8 5.5 803 754 A 100 ALA HB% A 107 LEU HDy% 1.0 1.8 5.5 804 755 A 100 ALA HA A 107 LEU HDy% 1.0 1.8 5.5 805 756 A 101 THR HG2% A 107 LEU HBy 1.0 1.8 5.5 806 757 A 101 THR HG2% A 107 LEU HBx 1.0 1.8 5.5 807 758 A 101 THR HG2% A 107 LEU HG 1.0 1.8 5.5 808 759 A 101 THR HG2% A 107 LEU HA 1.0 1.8 3.5 809 760 A 107 LEU H A 101 THR HB 1.0 1.8 5.0 810 761 A 101 THR HG1 A 107 LEU H 1.0 1.8 5.0 811 762 A 101 THR HG1 A 108 PHE H 1.0 1.8 5.0 812 763 A 101 THR HG2% A 110 TRP HBx 1.0 1.8 5.0 813 764 A 101 THR HG2% A 110 TRP HE1 1.0 1.8 5.5 814 765 A 101 THR HG2% A 110 TRP HD1 1.0 1.8 5.5 815 766 A 101 THR HG2% A 111 PHE HE% 1.0 1.8 5.5 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.restraint_origin 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 21 TRP HE1 A 23 SER HA 1.0 1.8 4.0 2 2 A 21 TRP HE1 A 23 SER HBy 1.0 1.8 5.0 3 3 A 21 TRP HE1 A 23 SER HBx 1.0 1.8 5.0 4 4 A 21 TRP HE1 A 23 SER H 1.0 1.8 5.0 5 5 A 21 TRP HD1 A 23 SER HBy 1.0 1.8 5.0 6 6 A 21 TRP HE1 A 26 GLN HE2x 1.0 1.8 5.0 7 7 A 21 TRP HE1 A 26 GLN HE2y 1.0 1.8 5.0 8 8 A 26 GLN H A 21 TRP HZ2 1.0 1.8 5.0 9 9 A 26 GLN H A 21 TRP HZ3 1.0 1.8 5.5 10 10 A 21 TRP HE1 A 26 GLN HA 1.0 1.8 5.5 11 11 A 21 TRP HE1 A 26 GLN HGy 1.0 1.8 5.0 12 12 A 26 GLN HA A 21 TRP HZ2 1.0 1.8 5.0 13 13 A 26 GLN HBx A 21 TRP HZ2 1.0 1.8 5.0 14 14 A 26 GLN HGy A 21 TRP HZ2 1.0 1.8 5.0 15 15 A 26 GLN HGy A 21 TRP HZ3 1.0 1.8 5.5 16 16 A 26 GLN HGx A 21 TRP HZ2 1.0 1.8 5.0 17 17 A 22 ASP HA A 24 ILE H 1.0 1.8 5.0 18 18 A 22 ASP HBy A 24 ILE H 1.0 1.8 5.0 19 19 A 22 ASP HBx A 24 ILE H 1.0 1.8 5.0 20 20 A 22 ASP HBy A 25 ASP HBy 1.0 1.8 4.0 21 21 A 22 ASP HBx A 25 ASP H 1.0 1.8 5.0 22 22 A 22 ASP HBx A 26 GLN H 1.0 1.8 5.0 23 23 A 22 ASP H A 26 GLN HA 1.0 1.8 5.0 24 24 A 22 ASP HBy A 27 LYS HG2 1.0 1.8 4.0 25 24 A 22 ASP HBy A 27 LYS HG3 1.0 1.8 4.0 26 25 A 22 ASP HBx A 27 LYS HG2 1.0 1.8 4.0 27 25 A 22 ASP HBx A 27 LYS HG3 1.0 1.8 4.0 28 26 A 22 ASP HA A 27 LYS HG2 1.0 1.8 6.0 29 26 A 22 ASP HA A 27 LYS HG3 1.0 1.8 6.0 30 27 A 22 ASP HBy A 27 LYS H 1.0 1.8 5.0 31 28 A 22 ASP HBx A 27 LYS H 1.0 1.8 5.0 32 29 A 22 ASP H A 27 LYS H 1.0 1.8 5.0 33 30 A 22 ASP H A 27 LYS HG2 1.0 1.8 5.0 34 30 A 22 ASP H A 27 LYS HG3 1.0 1.8 5.0 35 31 A 23 SER HA A 25 ASP H 1.0 1.8 5.0 36 32 A 23 SER H A 25 ASP H 1.0 1.8 5.0 37 33 A 23 SER HA A 26 GLN HGy 1.0 1.8 5.0 38 34 A 23 SER HA A 26 GLN HA 1.0 1.8 5.0 39 35 A 23 SER HA A 26 GLN HGx 1.0 1.8 5.0 40 36 A 23 SER HA A 26 GLN HE2x 1.0 1.8 5.0 41 37 A 23 SER HA A 26 GLN HE2y 1.0 1.8 5.0 42 38 A 23 SER HA A 26 GLN H 1.0 1.8 5.0 43 39 A 23 SER HBy A 26 GLN HE2x 1.0 1.8 5.0 44 40 A 23 SER HBy A 26 GLN HE2y 1.0 1.8 5.0 45 41 A 23 SER HBx A 26 GLN HE2x 1.0 1.8 5.0 46 42 A 23 SER HBx A 26 GLN HE2y 1.0 1.8 5.0 47 43 A 23 SER HA A 27 LYS H 1.0 1.8 5.0 48 44 A 24 ILE HA A 26 GLN HGx 1.0 1.8 6.0 49 45 A 24 ILE HA A 26 GLN H 1.0 1.8 5.0 50 46 A 24 ILE HG2% A 26 GLN H 1.0 1.8 5.5 51 47 A 24 ILE H A 26 GLN H 1.0 1.8 5.0 52 48 A 24 ILE H A 26 GLN HA 1.0 1.8 5.0 53 49 A 24 ILE H A 27 LYS H 1.0 1.8 5.0 54 50 A 25 ASP HBy A 27 LYS HD2 1.0 1.8 4.0 55 50 A 25 ASP HBy A 27 LYS HD3 1.0 1.8 4.0 56 51 A 25 ASP HBy A 27 LYS HG2 1.0 1.8 4.0 57 51 A 25 ASP HBy A 27 LYS HG3 1.0 1.8 4.0 58 52 A 25 ASP HBx A 27 LYS HD2 1.0 1.8 4.0 59 52 A 25 ASP HBx A 27 LYS HD3 1.0 1.8 4.0 60 53 A 25 ASP HBx A 27 LYS HB2 1.0 1.8 4.0 61 53 A 25 ASP HBx A 27 LYS HB3 1.0 1.8 4.0 62 54 A 25 ASP HBy A 27 LYS HE2 1.0 1.8 4.0 63 54 A 25 ASP HBy A 27 LYS HE3 1.0 1.8 4.0 64 55 A 25 ASP HBx A 27 LYS HE2 1.0 1.8 5.0 65 55 A 25 ASP HBx A 27 LYS HE3 1.0 1.8 5.0 66 56 A 25 ASP HBx A 27 LYS HG2 1.0 1.8 4.0 67 56 A 25 ASP HBx A 27 LYS HG3 1.0 1.8 4.0 68 57 A 25 ASP HA A 27 LYS HD2 1.0 1.8 5.0 69 57 A 25 ASP HA A 27 LYS HD3 1.0 1.8 5.0 70 58 A 25 ASP HA A 27 LYS HG2 1.0 1.8 5.0 71 58 A 25 ASP HA A 27 LYS HG3 1.0 1.8 5.0 72 59 A 25 ASP H A 27 LYS H 1.0 1.8 5.0 73 60 A 25 ASP H A 27 LYS HG2 1.0 1.8 5.0 74 60 A 25 ASP H A 27 LYS HG3 1.0 1.8 5.0 75 61 A 27 LYS HA A 29 THR HG2% 1.0 1.8 5.5 76 62 A 29 THR HG2% A 27 LYS HB2 1.0 1.8 5.0 77 62 A 27 LYS HB3 A 29 THR HG2% 1.0 1.8 5.0 78 63 A 29 THR HA A 27 LYS HE2 1.0 1.8 6.0 79 63 A 27 LYS HE3 A 29 THR HA 1.0 1.8 6.0 80 64 A 29 THR HG2% A 27 LYS HE2 1.0 1.8 5.0 81 64 A 27 LYS HE3 A 29 THR HG2% 1.0 1.8 5.0 82 65 A 29 THR HG2% A 27 LYS HG2 1.0 1.8 4.0 83 65 A 27 LYS HG3 A 29 THR HG2% 1.0 1.8 4.0 84 66 A 29 THR HG2% A 27 LYS HD2 1.0 1.8 4.0 85 66 A 27 LYS HD3 A 29 THR HG2% 1.0 1.8 4.0 86 67 A 32 TYR HE% A 34 ALA HB% 1.0 1.8 6.0 87 68 A 35 ILE HG2% A 38 ALA HA 1.0 1.8 5.5 88 69 A 35 ILE HG2% A 38 ALA HB% 1.0 1.8 5.5 89 70 A 35 ILE HG2% A 38 ALA H 1.0 1.8 5.5 90 71 A 35 ILE HG2% A 39 LYS H 1.0 1.8 5.0 91 72 A 35 ILE HA A 40 LEU HDx% 1.0 1.8 5.0 92 73 A 35 ILE HA A 40 LEU HDy% 1.0 1.8 5.5 93 74 A 35 ILE HG1y A 40 LEU HBy 1.0 1.8 4.0 94 75 A 35 ILE HG1y A 40 LEU HBx 1.0 1.8 4.0 95 76 A 35 ILE HG1x A 40 LEU HBy 1.0 1.8 5.0 96 77 A 35 ILE HG1x A 40 LEU HDx% 1.0 1.8 4.0 97 78 A 35 ILE HG1x A 40 LEU HDy% 1.0 1.8 5.0 98 79 A 35 ILE HD1% A 40 LEU HA 1.0 1.8 5.5 99 80 A 35 ILE HG2% A 40 LEU HA 1.0 1.8 5.0 100 81 A 35 ILE HG2% A 40 LEU HBy 1.0 1.8 5.0 101 82 A 35 ILE HA A 40 LEU HA 1.0 1.8 3.0 102 83 A 35 ILE HG1y A 40 LEU HA 1.0 1.8 4.0 103 84 A 35 ILE HG1x A 40 LEU HA 1.0 1.8 4.0 104 85 A 35 ILE HA A 40 LEU HBy 1.0 1.8 5.0 105 86 A 36 ALA HB% A 39 LYS HBy 1.0 1.8 5.0 106 87 A 36 ALA HB% A 39 LYS HBx 1.0 1.8 5.5 107 88 A 36 ALA H A 39 LYS H 1.0 1.8 4.0 108 89 A 36 ALA H A 39 LYS HBx 1.0 1.8 5.0 109 90 A 36 ALA H A 40 LEU HA 1.0 1.8 4.0 110 91 A 36 ALA H A 41 SER H 1.0 1.8 5.0 111 92 A 37 ASP HBy A 39 LYS H 1.0 1.8 5.0 112 93 A 37 ASP HBx A 39 LYS H 1.0 1.8 5.0 113 94 A 39 LYS HBy A 41 SER HBx 1.0 1.8 6.0 114 95 A 40 LEU HDy% A 42 PHE HBy 1.0 1.8 5.5 115 96 A 40 LEU HDy% A 42 PHE HBx 1.0 1.8 5.5 116 97 A 40 LEU HDy% A 42 PHE HA 1.0 1.8 5.5 117 98 A 42 PHE H A 40 LEU HDx% 1.0 1.8 5.5 118 98 A 40 LEU HDy% A 42 PHE H 1.0 1.8 5.5 119 99 A 40 LEU HG A 42 PHE H 1.0 1.8 5.0 120 100 A 40 LEU HDy% A 42 PHE HD% 1.0 1.8 5.0 121 101 A 43 SER HBy A 46 ILE HG2% 1.0 1.8 5.5 122 102 A 46 ILE HG2% A 43 SER HBx 1.0 1.8 5.5 123 103 A 44 ASP H A 46 ILE HG2% 1.0 1.8 5.5 124 104 A 44 ASP HBy A 49 THR HG2% 1.0 1.8 5.5 125 105 A 44 ASP HBx A 49 THR HG2% 1.0 1.8 6.5 126 106 A 45 ASP HBy A 48 GLN HBy 1.0 1.8 5.5 127 107 A 45 ASP HBy A 48 GLN HBx 1.0 1.8 5.5 128 108 A 45 ASP HBx A 48 GLN HBy 1.0 1.8 5.5 129 109 A 45 ASP HBx A 48 GLN HBx 1.0 1.8 6.0 130 110 A 45 ASP HBx A 48 GLN HG2 1.0 1.8 5.0 131 110 A 45 ASP HBx A 48 GLN HG3 1.0 1.8 5.0 132 111 A 46 ILE HA A 48 GLN H 1.0 1.8 5.0 133 112 A 46 ILE HA A 49 THR HG2% 1.0 1.8 6.0 134 113 A 47 GLU HBy A 49 THR HG2% 1.0 1.8 5.5 135 114 A 47 GLU HGy A 49 THR HG2% 1.0 1.8 5.5 136 115 A 47 GLU HGx A 49 THR HG2% 1.0 1.8 5.5 137 116 A 49 THR HG2% A 51 GLU HBy 1.0 1.8 5.5 138 117 A 49 THR HA A 51 GLU HGx 1.0 1.8 5.0 139 117 A 49 THR HA A 51 GLU HGy 1.0 1.8 5.0 140 118 A 49 THR HB A 51 GLU HGx 1.0 1.8 6.0 141 118 A 49 THR HB A 51 GLU HGy 1.0 1.8 6.0 142 119 A 51 GLU HBx A 54 ASN HBy 1.0 1.8 5.0 143 120 A 51 GLU HBx A 54 ASN HBx 1.0 1.8 6.0 144 121 A 54 ASN HBy A 51 GLU HGx 1.0 1.8 5.0 145 121 A 51 GLU HGy A 54 ASN HBy 1.0 1.8 5.0 146 122 A 54 ASN HBx A 51 GLU HGx 1.0 1.8 6.0 147 122 A 51 GLU HGy A 54 ASN HBx 1.0 1.8 6.0 148 123 A 51 GLU HBy A 54 ASN H 1.0 1.8 5.0 149 124 A 54 ASN H A 51 GLU HGx 1.0 1.8 5.0 150 124 A 51 GLU HGy A 54 ASN H 1.0 1.8 5.0 151 125 A 53 ASP HA A 55 PRO HD2 1.0 1.8 5.0 152 125 A 53 ASP HA A 55 PRO HD3 1.0 1.8 5.0 153 126 A 53 ASP H A 55 PRO HGx 1.0 1.8 3.5 154 127 A 60 CYS HA A 62 GLY H 1.0 1.8 5.0 155 128 A 62 GLY H A 60 CYS HBy 1.0 1.8 5.0 156 128 A 60 CYS HBx A 62 GLY H 1.0 1.8 5.0 157 129 A 63 ILE HD1% A 60 CYS HBy 1.0 1.8 6.5 158 129 A 60 CYS HBx A 63 ILE HD1% 1.0 1.8 6.5 159 130 A 63 ILE HD1% A 60 CYS HBy 1.0 1.8 5.5 160 131 A 60 CYS HBx A 63 ILE HD1% 1.0 1.8 5.5 161 132 A 63 ILE HG2% A 65 ASP HBy 1.0 1.8 6.5 162 133 A 63 ILE HG2% A 65 ASP HBx 1.0 1.8 6.5 163 134 A 63 ILE HG2% A 65 ASP HA 1.0 1.8 5.5 164 135 A 63 ILE HB A 65 ASP H 1.0 1.8 5.0 165 136 A 63 ILE HG2% A 65 ASP H 1.0 1.8 5.5 166 137 A 64 LEU HBy A 66 LEU HDx% 1.0 1.8 5.0 167 138 A 64 LEU HBx A 66 LEU HDx% 1.0 1.8 5.0 168 139 A 64 LEU HBy A 69 TYR HE% 1.0 1.8 5.5 169 140 A 64 LEU HBx A 69 TYR HD% 1.0 1.8 5.5 170 141 A 64 LEU HDy% A 69 TYR HD% 1.0 1.8 6.0 171 142 A 64 LEU HDy% A 69 TYR HE% 1.0 1.8 6.0 172 143 A 65 ASP HBy A 68 THR HG2% 1.0 1.8 5.0 173 144 A 65 ASP HBx A 68 THR HG2% 1.0 1.8 5.0 174 145 A 65 ASP HA A 68 THR HG2% 1.0 1.8 6.5 175 146 A 65 ASP HBx A 68 THR H 1.0 1.8 5.0 176 147 A 65 ASP H A 69 TYR HD% 1.0 1.8 5.5 177 148 A 65 ASP H A 69 TYR HE% 1.0 1.8 5.5 178 149 A 66 LEU HA A 68 THR H 1.0 1.8 5.0 179 150 A 68 THR H A 66 LEU HDx% 1.0 1.8 5.5 180 150 A 68 THR H A 66 LEU HDy% 1.0 1.8 5.5 181 151 A 66 LEU H A 68 THR H 1.0 1.8 5.0 182 152 A 66 LEU HA A 69 TYR HBy 1.0 1.8 5.0 183 153 A 66 LEU HA A 69 TYR HBx 1.0 1.8 5.0 184 154 A 66 LEU HA A 69 TYR H 1.0 1.8 5.0 185 155 A 67 ASN HA A 69 TYR H 1.0 1.8 5.0 186 156 A 67 ASN H A 69 TYR H 1.0 1.8 5.0 187 157 A 70 ASN HBy A 72 VAL HGx% 1.0 1.8 6.5 188 158 A 70 ASN HBy A 72 VAL HGy% 1.0 1.8 6.5 189 159 A 70 ASN HBx A 72 VAL HGx% 1.0 1.8 6.5 190 160 A 70 ASN HBx A 72 VAL HGy% 1.0 1.8 6.5 191 161 A 72 VAL HGx% A 74 ALA HB% 1.0 1.8 5.0 192 162 A 72 VAL HGx% A 74 ALA HA 1.0 1.8 6.0 193 163 A 72 VAL HGy% A 74 ALA HA 1.0 1.8 6.0 194 164 A 75 PRO HA A 73 LYS HG2 1.0 1.8 6.0 195 164 A 73 LYS HG3 A 75 PRO HA 1.0 1.8 6.0 196 165 A 74 ALA HB% A 77 GLY HA3 1.0 1.8 5.5 197 166 A 74 ALA HB% A 77 GLY HA2 1.0 1.8 5.5 198 167 A 74 ALA HB% A 77 GLY H 1.0 1.8 5.5 199 168 A 74 ALA HB% A 78 LYS HBy 1.0 1.8 5.0 200 169 A 74 ALA HB% A 78 LYS HBx 1.0 1.8 4.0 201 170 A 74 ALA HB% A 78 LYS HA 1.0 1.8 5.0 202 171 A 75 PRO HA A 77 GLY H 1.0 1.8 5.0 203 172 A 77 GLY HA3 A 82 SER HA 1.0 1.8 4.0 204 173 A 77 GLY HA2 A 82 SER HA 1.0 1.8 4.0 205 174 A 77 GLY H A 82 SER HA 1.0 1.8 5.0 206 175 A 78 LYS H A 81 LYS H 1.0 1.8 4.0 207 176 A 78 LYS H A 82 SER HA 1.0 1.8 5.0 208 177 A 81 LYS HA A 83 PHE H 1.0 1.8 5.0 209 178 A 81 LYS HBy A 83 PHE H 1.0 1.8 5.0 210 179 A 81 LYS HBx A 83 PHE H 1.0 1.8 5.0 211 180 A 81 LYS HA A 84 VAL HGx% 1.0 1.8 5.5 212 181 A 81 LYS HBy A 84 VAL HGx% 1.0 1.8 4.0 213 182 A 81 LYS HBx A 84 VAL HGx% 1.0 1.8 5.0 214 183 A 81 LYS HDy A 84 VAL HGx% 1.0 1.8 6.5 215 184 A 81 LYS HGy A 84 VAL HGx% 1.0 1.8 6.5 216 185 A 81 LYS HGx A 84 VAL HGx% 1.0 1.8 4.0 217 186 A 81 LYS HBy A 84 VAL HGy% 1.0 1.8 5.5 218 187 A 82 SER HA A 84 VAL HGx% 1.0 1.8 5.5 219 188 A 84 VAL HGy% A 86 ILE HG1x 1.0 1.8 4.0 220 189 A 85 PHE HD% A 87 LEU HDy% 1.0 1.8 6.0 221 190 A 86 ILE HD1% A 88 GLU HGy 1.0 1.8 5.0 222 191 A 86 ILE HD1% A 88 GLU HGx 1.0 1.8 5.0 223 192 A 86 ILE HG2% A 88 GLU HBy 1.0 1.8 5.0 224 193 A 86 ILE HG2% A 88 GLU HBx 1.0 1.8 5.0 225 194 A 86 ILE HG2% A 88 GLU HGy 1.0 1.8 3.5 226 195 A 86 ILE HG2% A 88 GLU HGx 1.0 1.8 4.0 227 196 A 86 ILE HB A 88 GLU HGx 1.0 1.8 5.0 228 197 A 86 ILE HG2% A 88 GLU HA 1.0 1.8 5.5 229 198 A 89 PRO HA A 91 GLN H 1.0 1.8 5.0 230 199 A 89 PRO HBx A 94 ASP HBy 1.0 1.8 4.0 231 200 A 89 PRO HBx A 94 ASP HBx 1.0 1.8 4.0 232 201 A 94 ASP HBy A 89 PRO HG2 1.0 1.8 4.0 233 201 A 89 PRO HG3 A 94 ASP HBy 1.0 1.8 4.0 234 202 A 94 ASP HBx A 89 PRO HG2 1.0 1.8 4.0 235 202 A 89 PRO HG3 A 94 ASP HBx 1.0 1.8 4.0 236 203 A 94 ASP HA A 89 PRO HG2 1.0 1.8 4.0 237 203 A 89 PRO HG3 A 94 ASP HA 1.0 1.8 4.0 238 204 A 91 GLN HGy A 94 ASP H 1.0 1.8 5.0 239 205 A 91 GLN H A 94 ASP HBy 1.0 1.8 5.5 240 206 A 91 GLN H A 94 ASP HBx 1.0 1.8 5.5 241 207 A 91 GLN H A 94 ASP H 1.0 1.8 5.0 242 208 A 92 GLN HA A 94 ASP H 1.0 1.8 5.0 243 209 A 94 ASP H A 92 GLN HB2 1.0 1.8 4.0 244 209 A 92 GLN HB3 A 94 ASP H 1.0 1.8 4.0 245 210 A 92 GLN H A 94 ASP H 1.0 1.8 5.0 246 211 A 97 VAL HGy% A 95 PRO HGy 1.0 1.8 5.0 247 212 A 95 PRO HGx A 97 VAL HGy% 1.0 1.8 6.5 248 213 A 97 VAL HGx% A 99 PHE HE% 1.0 1.8 6.0 249 214 A 101 THR HA A 103 ARG H 1.0 1.8 5.0 250 215 A 101 THR HG1 A 103 ARG H 1.0 1.8 4.0 251 216 A 101 THR HG2% A 103 ARG H 1.0 1.8 5.5 252 217 A 106 GLU HBy A 101 THR HB 1.0 1.8 5.0 253 218 A 106 GLU HBx A 101 THR HB 1.0 1.8 4.0 254 219 A 106 GLU HGy A 101 THR HB 1.0 1.8 5.0 255 220 A 101 THR HG2% A 106 GLU HBy 1.0 1.8 5.5 256 221 A 101 THR HG2% A 106 GLU HGy 1.0 1.8 5.5 257 222 A 101 THR HG2% A 106 GLU HBx 1.0 1.8 5.0 258 223 A 101 THR HG2% A 106 GLU HGx 1.0 1.8 5.0 259 224 A 101 THR HG2% A 106 GLU HA 1.0 1.8 6.5 260 225 A 106 GLU HA A 101 THR HB 1.0 1.8 6.0 261 226 A 101 THR HA A 106 GLU HBx 1.0 1.8 5.0 262 227 A 101 THR HA A 106 GLU HGy 1.0 1.8 6.0 263 228 A 106 GLU HGx A 101 THR HB 1.0 1.8 5.0 264 229 A 106 GLU H A 101 THR HB 1.0 1.8 5.0 265 230 A 101 THR HG1 A 106 GLU H 1.0 1.8 5.0 266 231 A 101 THR HG2% A 106 GLU H 1.0 1.8 5.5 267 232 A 102 ASP H A 106 GLU HBy 1.0 1.8 5.0 268 233 A 103 ARG HBy A 105 GLU H 1.0 1.8 5.0 269 234 A 103 ARG HBx A 105 GLU H 1.0 1.8 4.0 270 235 A 105 GLU H A 103 ARG HD2 1.0 1.8 5.0 271 235 A 103 ARG HD3 A 105 GLU H 1.0 1.8 5.0 272 236 A 103 ARG HBy A 106 GLU HGy 1.0 1.8 4.0 273 237 A 103 ARG HBy A 106 GLU HGx 1.0 1.8 5.0 274 238 A 106 GLU HGy A 103 ARG HD2 1.0 1.8 6.0 275 238 A 103 ARG HD3 A 106 GLU HGy 1.0 1.8 6.0 276 239 A 103 ARG HGy A 106 GLU HGy 1.0 1.8 5.0 277 240 A 103 ARG HGx A 106 GLU HGy 1.0 1.8 5.0 278 241 A 103 ARG HBy A 106 GLU H 1.0 1.8 5.0 279 242 A 103 ARG HBx A 106 GLU H 1.0 1.8 5.0 280 243 A 106 GLU H A 103 ARG HD2 1.0 1.8 5.0 281 243 A 103 ARG HD3 A 106 GLU H 1.0 1.8 5.0 282 244 A 103 ARG H A 106 GLU H 1.0 1.8 5.0 283 245 A 103 ARG H A 106 GLU HBy 1.0 1.8 5.0 284 246 A 103 ARG H A 106 GLU HBx 1.0 1.8 5.0 285 247 A 104 VAL HA A 106 GLU H 1.0 1.8 5.0 286 248 A 106 GLU H A 104 VAL HGx% 1.0 1.8 6.0 287 248 A 104 VAL HGy% A 106 GLU H 1.0 1.8 6.0 288 249 A 104 VAL H A 106 GLU H 1.0 1.8 5.0 289 250 A 104 VAL HA A 107 LEU HBy 1.0 1.8 4.0 290 251 A 104 VAL HA A 107 LEU HBx 1.0 1.8 4.0 291 252 A 104 VAL HA A 107 LEU HDx% 1.0 1.8 4.0 292 253 A 104 VAL HGy% A 107 LEU HBy 1.0 1.8 5.5 293 254 A 104 VAL HGy% A 107 LEU HBx 1.0 1.8 5.5 294 255 A 104 VAL HGy% A 107 LEU HDx% 1.0 1.8 5.0 295 256 A 104 VAL HA A 107 LEU HDy% 1.0 1.8 5.5 296 257 A 104 VAL HA A 107 LEU HG 1.0 1.8 6.0 297 258 A 104 VAL HA A 107 LEU H 1.0 1.8 5.0 298 259 A 107 LEU H A 104 VAL HGx% 1.0 1.8 6.0 299 259 A 104 VAL HGy% A 107 LEU H 1.0 1.8 6.0 300 260 A 108 PHE HBy A 104 VAL HGx% 1.0 1.8 6.5 301 260 A 104 VAL HGy% A 108 PHE HBy 1.0 1.8 6.5 302 261 A 108 PHE HBx A 104 VAL HGx% 1.0 1.8 6.5 303 261 A 104 VAL HGy% A 108 PHE HBx 1.0 1.8 6.5 304 262 A 104 VAL HA A 108 PHE H 1.0 1.8 5.0 305 263 A 108 PHE H A 104 VAL HGx% 1.0 1.8 6.0 306 263 A 104 VAL HGy% A 108 PHE H 1.0 1.8 6.0 307 264 A 104 VAL HGy% A 108 PHE HD% 1.0 1.8 6.0 308 265 A 105 GLU H A 107 LEU H 1.0 1.8 5.0 309 266 A 105 GLU HA A 108 PHE HBy 1.0 1.8 4.0 310 267 A 105 GLU HA A 108 PHE HBx 1.0 1.8 4.0 311 268 A 105 GLU HA A 108 PHE H 1.0 1.8 5.0 312 269 A 106 GLU H A 108 PHE H 1.0 1.8 5.0 313 270 A 106 GLU HA A 109 GLU HBy 1.0 1.8 3.5 314 271 A 106 GLU HA A 109 GLU HBx 1.0 1.8 3.5 315 272 A 106 GLU HA A 109 GLU HGy 1.0 1.8 4.0 316 273 A 106 GLU HA A 109 GLU HGx 1.0 1.8 5.0 317 274 A 106 GLU HA A 109 GLU H 1.0 1.8 5.0 318 275 A 106 GLU H A 109 GLU H 1.0 1.8 5.0 319 276 A 106 GLU H A 109 GLU HBx 1.0 1.8 5.5 320 277 A 106 GLU HA A 110 TRP H 1.0 1.8 4.0 321 278 A 106 GLU HBy A 110 TRP HE1 1.0 1.8 5.0 322 279 A 106 GLU HBy A 110 TRP HD1 1.0 1.8 5.5 323 280 A 107 LEU H A 109 GLU H 1.0 1.8 5.0 324 281 A 107 LEU HA A 110 TRP HBy 1.0 1.8 5.0 325 282 A 107 LEU HA A 110 TRP HBx 1.0 1.8 4.0 326 283 A 107 LEU HDy% A 110 TRP HBy 1.0 1.8 6.5 327 284 A 107 LEU HA A 110 TRP H 1.0 1.8 5.0 328 285 A 107 LEU HDy% A 111 PHE HBx 1.0 1.8 6.0 329 286 A 107 LEU HDx% A 111 PHE HBy 1.0 1.8 5.0 330 287 A 107 LEU HDy% A 111 PHE HBy 1.0 1.8 5.0 331 288 A 107 LEU HA A 111 PHE H 1.0 1.8 5.0 332 289 A 107 LEU HDy% A 111 PHE H 1.0 1.8 5.5 333 290 A 107 LEU HDy% A 111 PHE HD% 1.0 1.8 5.0 334 291 A 107 LEU HDy% A 111 PHE HE% 1.0 1.8 5.5 335 292 A 108 PHE H A 110 TRP H 1.0 1.8 5.0 336 293 A 108 PHE HA A 111 PHE HBy 1.0 1.8 5.0 337 294 A 108 PHE HA A 111 PHE HBx 1.0 1.8 4.0 338 295 A 108 PHE HA A 111 PHE H 1.0 1.8 5.0 339 296 A 108 PHE H A 111 PHE HD% 1.0 1.8 5.5 340 297 A 108 PHE H A 111 PHE H 1.0 1.8 5.0 341 298 A 108 PHE HA A 112 GLN HG2 1.0 1.8 6.0 342 298 A 108 PHE HA A 112 GLN HG3 1.0 1.8 6.0 343 299 A 108 PHE HBy A 112 GLN HBy 1.0 1.8 5.5 344 300 A 108 PHE HBx A 112 GLN HBy 1.0 1.8 5.5 345 301 A 108 PHE HBx A 112 GLN HG2 1.0 1.8 5.0 346 301 A 108 PHE HBx A 112 GLN HG3 1.0 1.8 5.0 347 302 A 108 PHE HA A 112 GLN H 1.0 1.8 5.0 348 303 A 108 PHE HD% A 112 GLN HG2 1.0 1.8 5.5 349 303 A 108 PHE HD% A 112 GLN HG3 1.0 1.8 5.5 350 304 A 109 GLU HA A 111 PHE H 1.0 1.8 5.0 351 305 A 109 GLU H A 111 PHE H 1.0 1.8 5.0 352 306 A 109 GLU HA A 112 GLN HG2 1.0 1.8 5.0 353 306 A 109 GLU HA A 112 GLN HG3 1.0 1.8 5.0 354 307 A 109 GLU HA A 112 GLN HBx 1.0 1.8 3.5 355 308 A 109 GLU HA A 112 GLN H 1.0 1.8 5.0 356 309 A 110 TRP H A 113 SER H 1.0 1.8 5.0 357 310 A 110 TRP HA A 114 ILE HD1% 1.0 1.8 5.5 358 311 A 110 TRP HBy A 114 ILE HD1% 1.0 1.8 6.5 359 312 A 110 TRP HBx A 114 ILE HD1% 1.0 1.8 5.5 360 313 A 110 TRP HE3 A 114 ILE HD1% 1.0 1.8 5.5 361 314 A 111 PHE H A 113 SER H 1.0 1.8 5.0 362 315 A 111 PHE HA A 114 ILE HB 1.0 1.8 5.0 363 316 A 111 PHE HA A 114 ILE HD1% 1.0 1.8 6.5 364 317 A 111 PHE HBx A 114 ILE HD1% 1.0 1.8 6.5 365 318 A 111 PHE HA A 114 ILE HG2% 1.0 1.8 5.5 366 319 A 111 PHE HA A 114 ILE H 1.0 1.8 5.0 367 320 A 114 ILE HD1% A 111 PHE HE% 1.0 1.8 5.5 368 321 A 111 PHE HA A 115 ARG H 1.0 1.8 5.0 369 322 A 111 PHE HD% A 115 ARG H 1.0 1.8 5.5 370 323 A 112 GLN HA A 115 ARG HBy 1.0 1.8 4.0 371 324 A 112 GLN HA A 115 ARG HBx 1.0 1.8 4.0 372 325 A 115 ARG HBx A 112 GLN HG2 1.0 1.8 6.0 373 325 A 112 GLN HG3 A 115 ARG HBx 1.0 1.8 6.0 374 326 A 112 GLN HA A 115 ARG HA 1.0 1.8 5.5 375 327 A 112 GLN HA A 115 ARG HDy 1.0 1.8 5.0 376 328 A 112 GLN HA A 115 ARG HDx 1.0 1.8 5.0 377 329 A 112 GLN HA A 115 ARG HG2 1.0 1.8 4.0 378 329 A 112 GLN HA A 115 ARG HG3 1.0 1.8 4.0 379 330 A 112 GLN HA A 115 ARG H 1.0 1.8 5.0 380 331 A 112 GLN HA A 116 GLU H 1.0 1.8 5.0 381 332 A 112 GLN HE2y A 116 GLU HGx 1.0 1.8 5.0 382 333 A 113 SER H A 115 ARG H 1.0 1.8 5.0 383 334 A 113 SER HA A 116 GLU HBy 1.0 1.8 3.5 384 335 A 113 SER HA A 116 GLU HBx 1.0 1.8 3.5 385 336 A 113 SER HA A 116 GLU HGy 1.0 1.8 3.5 386 337 A 113 SER HA A 116 GLU HGx 1.0 1.8 4.0 387 338 A 113 SER HA A 116 GLU H 1.0 1.8 4.0 388 339 A 113 SER HA A 117 ILE HD1% 1.0 1.8 5.0 389 340 A 114 ILE HA A 116 GLU H 1.0 1.8 5.0 390 341 A 114 ILE H A 116 GLU HBx 1.0 1.8 5.0 391 342 A 114 ILE HA A 117 ILE HG1y 1.0 1.8 5.0 392 343 A 114 ILE HA A 117 ILE HG1x 1.0 1.8 6.0 393 344 A 114 ILE HA A 117 ILE HB 1.0 1.8 4.0 394 345 A 114 ILE HA A 117 ILE HD1% 1.0 1.8 3.5 395 346 A 114 ILE HA A 117 ILE H 1.0 1.8 5.0 396 347 A 114 ILE HG2% A 118 THR HG2% 1.0 1.8 4.0 397 348 A 114 ILE HG2% A 118 THR HB 1.0 1.8 5.5 398 349 A 114 ILE HA A 118 THR HG2% 1.0 1.8 5.5 399 350 A 114 ILE HA A 118 THR H 1.0 1.8 5.0 400 351 A 115 ARG H A 117 ILE H 1.0 1.8 5.0 401 352 A 115 ARG HA A 118 THR HG2% 1.0 1.8 5.0 402 353 A 115 ARG HA A 118 THR H 1.0 1.8 4.0 403 354 A 115 ARG HBy A 118 THR H 1.0 1.8 5.0 404 355 A 115 ARG HA A 119 TRP HBy 1.0 1.8 5.0 405 356 A 115 ARG HA A 119 TRP HBx 1.0 1.8 5.0 406 357 A 119 TRP HBx A 115 ARG HDx 1.0 1.8 6.0 407 358 A 119 TRP HBy A 115 ARG HG2 1.0 1.8 5.0 408 358 A 115 ARG HG3 A 119 TRP HBy 1.0 1.8 5.0 409 359 A 119 TRP HBx A 115 ARG HG2 1.0 1.8 5.0 410 359 A 115 ARG HG3 A 119 TRP HBx 1.0 1.8 5.0 411 360 A 115 ARG HDy A 119 TRP HBy 1.0 1.8 6.0 412 361 A 119 TRP HBy A 115 ARG HDx 1.0 1.8 5.0 413 362 A 119 TRP HA A 115 ARG HG2 1.0 1.8 6.0 414 362 A 115 ARG HG3 A 119 TRP HA 1.0 1.8 6.0 415 363 A 115 ARG HA A 119 TRP H 1.0 1.8 4.0 416 364 A 115 ARG HBy A 119 TRP HE1 1.0 1.8 5.0 417 365 A 116 GLU H A 118 THR H 1.0 1.8 5.0 418 366 A 116 GLU HA A 119 TRP HBy 1.0 1.8 6.0 419 367 A 116 GLU HA A 119 TRP HBx 1.0 1.8 5.0 420 368 A 117 ILE H A 119 TRP H 1.0 1.8 5.0 421 369 A 117 ILE HA A 120 LYS H 1.0 1.8 5.0 422 370 A 117 ILE HG2% A 120 LYS H 1.0 1.8 5.5 423 371 A 118 THR HA A 120 LYS H 1.0 1.8 5.0 424 372 A 118 THR HA A 121 ILE HD1% 1.0 1.8 6.5 425 373 A 121 ILE HG2% A 123 THR HB 1.0 1.8 6.5 stop_ save_ save_CNS/XPLOR_distance_constraints_10 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_10 _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 38 ALA HA A 117 ILE HB 1.0 1.8 5.5 2 1 A 38 ALA HA A 66 LEU HBx 1.0 1.8 5.5 3 2 A 45 ASP HBy A 49 THR HB 1.0 1.8 5.0 4 2 A 29 THR HB A 45 ASP HBy 1.0 1.8 5.0 5 3 A 45 ASP HBx A 49 THR HB 1.0 1.8 5.0 6 3 A 29 THR HB A 45 ASP HBx 1.0 1.8 5.0 7 4 A 87 LEU HG A 114 ILE HD1% 1.0 1.8 4.0 8 4 A 71 VAL HB A 114 ILE HD1% 1.0 1.8 4.0 9 5 A 28 TRP HE1 A 98 GLU HBy 1.0 1.8 5.0 10 5 A 28 TRP HE1 A 81 LYS HE2 1.0 1.8 5.0 11 5 A 28 TRP HE1 A 78 LYS HBx 1.0 1.8 5.0 12 6 A 73 LYS H A 85 PHE HZ 1.0 1.8 5.5 13 6 A 73 LYS H A 83 PHE HE% 1.0 1.8 5.5 14 7 A 113 SER H A 115 ARG HBx 1.0 1.8 5.0 15 7 A 113 SER H A 114 ILE HB 1.0 1.8 5.0 16 8 A 42 PHE HD% A 114 ILE HD1% 1.0 1.8 6.0 17 8 A 42 PHE HD% A 87 LEU HDx% 1.0 1.8 6.0 18 9 A 110 TRP HZ3 A 40 LEU HDx% 1.0 1.8 5.5 19 9 A 35 ILE HD1% A 110 TRP HZ3 1.0 1.8 5.5 stop_ save_ save_CNS/XPLOR_distance_constraints_12 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_12 _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 108 PHE N A 104 VAL O 1.0 2.8 3.3 2 2 A 108 PHE H A 104 VAL O 1.0 1.8 2.3 3 3 A 109 GLU N A 105 GLU O 1.0 2.8 3.3 4 4 A 109 GLU H A 105 GLU O 1.0 1.8 2.3 5 5 A 110 TRP N A 106 GLU O 1.0 2.8 3.3 6 6 A 110 TRP H A 106 GLU O 1.0 1.8 2.3 7 7 A 111 PHE N A 107 LEU O 1.0 2.8 3.3 8 8 A 111 PHE H A 107 LEU O 1.0 1.8 2.3 9 9 A 112 GLN N A 108 PHE O 1.0 2.8 3.3 10 10 A 112 GLN H A 108 PHE O 1.0 1.8 2.3 11 11 A 113 SER N A 109 GLU O 1.0 2.8 3.3 12 12 A 113 SER H A 109 GLU O 1.0 1.8 2.3 13 13 A 114 ILE N A 110 TRP O 1.0 2.8 3.3 14 14 A 114 ILE H A 110 TRP O 1.0 1.8 2.3 15 15 A 115 ARG N A 111 PHE O 1.0 2.8 3.3 16 16 A 115 ARG H A 111 PHE O 1.0 1.8 2.3 17 17 A 116 GLU N A 112 GLN O 1.0 2.8 3.3 18 18 A 116 GLU H A 112 GLN O 1.0 1.8 2.3 19 19 A 35 ILE N A 14 GLN O 1.0 2.8 3.3 20 20 A 35 ILE H A 14 GLN O 1.0 1.8 2.3 21 21 A 33 CYS N A 16 GLY O 1.0 2.8 3.3 22 22 A 33 CYS H A 16 GLY O 1.0 1.8 2.3 23 23 A 16 GLY N A 33 CYS O 1.0 2.8 3.3 24 24 A 16 GLY H A 33 CYS O 1.0 1.8 2.3 25 25 A 31 HIS N A 18 LEU O 1.0 2.8 3.3 26 26 A 31 HIS H A 18 LEU O 1.0 1.8 2.3 27 27 A 18 LEU N A 31 HIS O 1.0 2.8 3.3 28 28 A 18 LEU H A 31 HIS O 1.0 1.8 2.3 29 29 A 27 LYS N A 22 ASP O 1.0 2.8 3.3 30 30 A 27 LYS H A 22 ASP O 1.0 1.8 2.3 31 31 A 22 ASP N A 27 LYS O 1.0 2.8 3.3 32 32 A 22 ASP H A 27 LYS O 1.0 1.8 2.3 33 33 A 100 ALA N A 19 TYR O 1.0 2.8 3.3 34 34 A 100 ALA H A 19 TYR O 1.0 1.8 2.3 35 35 A 21 TRP N A 98 GLU O 1.0 2.8 3.3 36 36 A 21 TRP H A 98 GLU O 1.0 1.8 2.3 37 37 A 43 SER N A 32 TYR O 1.0 2.8 3.3 38 38 A 43 SER H A 32 TYR O 1.0 1.8 2.3 39 39 A 41 SER N A 34 ALA O 1.0 2.8 3.3 40 40 A 41 SER H A 34 ALA O 1.0 1.8 2.3 41 41 A 39 LYS N A 36 ALA O 1.0 2.8 3.3 42 42 A 39 LYS H A 36 ALA O 1.0 1.8 2.3 43 43 A 36 ALA N A 39 LYS O 1.0 2.8 3.3 44 44 A 36 ALA H A 39 LYS O 1.0 1.8 2.3 45 45 A 40 LEU N A 64 LEU O 1.0 2.8 3.3 46 46 A 40 LEU H A 64 LEU O 1.0 1.8 2.3 47 47 A 64 LEU N A 40 LEU O 1.0 2.8 3.3 48 48 A 64 LEU H A 40 LEU O 1.0 1.8 2.3 49 49 A 42 PHE N A 62 GLY O 1.0 2.8 3.3 50 50 A 42 PHE H A 62 GLY O 1.0 1.8 2.3 51 51 A 90 LYS N A 68 THR O 1.0 2.8 3.3 52 52 A 90 LYS H A 68 THR O 1.0 1.8 2.3 53 53 A 88 GLU N A 70 ASN O 1.0 2.8 3.3 54 54 A 88 GLU H A 70 ASN O 1.0 1.8 2.3 55 55 A 70 ASN N A 88 GLU O 1.0 2.8 3.3 56 56 A 70 ASN H A 88 GLU O 1.0 1.8 2.3 57 57 A 86 ILE N A 72 VAL O 1.0 2.8 3.3 58 58 A 86 ILE H A 72 VAL O 1.0 1.8 2.3 59 59 A 72 VAL N A 86 ILE O 1.0 2.8 3.3 60 60 A 72 VAL H A 86 ILE O 1.0 1.8 2.3 61 61 A 84 VAL N A 74 ALA O 1.0 2.8 3.3 62 62 A 84 VAL H A 74 ALA O 1.0 1.8 2.3 63 63 A 87 LEU N A 97 VAL O 1.0 2.8 3.3 64 64 A 87 LEU H A 97 VAL O 1.0 1.8 2.3 65 65 A 97 VAL N A 87 LEU O 1.0 2.8 3.3 66 66 A 97 VAL H A 87 LEU O 1.0 1.8 2.3 67 67 A 85 PHE N A 99 PHE O 1.0 2.8 3.3 68 68 A 85 PHE H A 99 PHE O 1.0 1.8 2.3 69 69 A 99 PHE N A 85 PHE O 1.0 2.8 3.3 70 70 A 99 PHE H A 85 PHE O 1.0 1.8 2.3 stop_ save_ save_CNS/XPLOR_dihedral_13 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_13 _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 13 LYS C A 14 GLN N A 14 GLN CA A 14 GLN C 1.0 -144.0 -44.0 PHI 2 2 A 14 GLN C A 15 GLN N A 15 GLN CA A 15 GLN C 1.0 -169.0 -85.0 PHI 3 3 A 16 GLY C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -142.0 -70.0 PHI 4 4 A 17 GLU C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -164.0 -108.0 PHI 5 5 A 18 LEU C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -131.0 -91.0 PHI 6 6 A 19 TYR C A 20 MET N A 20 MET CA A 20 MET C 1.0 -183.0 -83.0 PHI 7 7 A 20 MET C A 21 TRP N A 21 TRP CA A 21 TRP C 1.0 -134.0 -50.0 PHI 8 8 A 21 TRP C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -127.0 -67.0 PHI 9 9 A 27 LYS C A 28 TRP N A 28 TRP CA A 28 TRP C 1.0 -141.0 -81.0 PHI 10 10 A 28 TRP C A 29 THR N A 29 THR CA A 29 THR C 1.0 -152.0 -100.0 PHI 11 11 A 29 THR C A 30 ARG N A 30 ARG CA A 30 ARG C 1.0 -179.0 -83.0 PHI 12 12 A 30 ARG C A 31 HIS N A 31 HIS CA A 31 HIS C 1.0 -168.0 -72.0 PHI 13 13 A 31 HIS C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -126.0 -74.0 PHI 14 14 A 32 TYR C A 33 CYS N A 33 CYS CA A 33 CYS C 1.0 -140.0 -84.0 PHI 15 15 A 33 CYS C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -179.0 -83.0 PHI 16 16 A 34 ALA C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -153.0 -89.0 PHI 17 17 A 35 ILE C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -166.0 -62.0 PHI 18 18 A 38 ALA C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -153.0 -81.0 PHI 19 19 A 39 LYS C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -148.0 -108.0 PHI 20 20 A 40 LEU C A 41 SER N A 41 SER CA A 41 SER C 1.0 -152.0 -100.0 PHI 21 21 A 41 SER C A 42 PHE N A 42 PHE CA A 42 PHE C 1.0 -147.0 -99.0 PHI 22 22 A 42 PHE C A 43 SER N A 43 SER CA A 43 SER C 1.0 -176.0 -88.0 PHI 23 23 A 43 SER C A 44 ASP N A 44 ASP CA A 44 ASP C 1.0 -126.0 -46.0 PHI 24 24 A 68 THR C A 69 TYR N A 69 TYR CA A 69 TYR C 1.0 -164.0 -100.0 PHI 25 25 A 69 TYR C A 70 ASN N A 70 ASN CA A 70 ASN C 1.0 -181.0 -69.0 PHI 26 26 A 70 ASN C A 71 VAL N A 71 VAL CA A 71 VAL C 1.0 -141.0 -97.0 PHI 27 27 A 71 VAL C A 72 VAL N A 72 VAL CA A 72 VAL C 1.0 -139.0 -107.0 PHI 28 28 A 72 VAL C A 73 LYS N A 73 LYS CA A 73 LYS C 1.0 -151.0 -67.0 PHI 29 29 A 73 LYS C A 74 ALA N A 74 ALA CA A 74 ALA C 1.0 -118.0 -46.0 PHI 30 30 A 82 SER C A 83 PHE N A 83 PHE CA A 83 PHE C 1.0 -129.0 -73.0 PHI 31 31 A 83 PHE C A 84 VAL N A 84 VAL CA A 84 VAL C 1.0 -164.0 -88.0 PHI 32 32 A 84 VAL C A 85 PHE N A 85 PHE CA A 85 PHE C 1.0 -165.0 -85.0 PHI 33 33 A 85 PHE C A 86 ILE N A 86 ILE CA A 86 ILE C 1.0 -160.0 -100.0 PHI 34 34 A 86 ILE C A 87 LEU N A 87 LEU CA A 87 LEU C 1.0 -146.0 -70.0 PHI 35 35 A 87 LEU C A 88 GLU N A 88 GLU CA A 88 GLU C 1.0 -148.0 -60.0 PHI 36 36 A 93 GLY C A 94 ASP N A 94 ASP CA A 94 ASP C 1.0 -129.0 -45.0 PHI 37 37 A 94 ASP C A 95 PRO N A 95 PRO CA A 95 PRO C 1.0 -87.0 -43.0 PHI 38 38 A 95 PRO C A 96 PRO N A 96 PRO CA A 96 PRO C 1.0 -87.0 -43.0 PHI 39 39 A 96 PRO C A 97 VAL N A 97 VAL CA A 97 VAL C 1.0 -152.0 -72.0 PHI 40 40 A 97 VAL C A 98 GLU N A 98 GLU CA A 98 GLU C 1.0 -142.0 -62.0 PHI 41 41 A 98 GLU C A 99 PHE N A 99 PHE CA A 99 PHE C 1.0 -157.0 -113.0 PHI 42 42 A 99 PHE C A 100 ALA N A 100 ALA CA A 100 ALA C 1.0 -159.0 -107.0 PHI 43 43 A 100 ALA C A 101 THR N A 101 THR CA A 101 THR C 1.0 -171.0 -59.0 PHI 44 44 A 103 ARG C A 104 VAL N A 104 VAL CA A 104 VAL C 1.0 -78.0 -46.0 PHI 45 45 A 104 VAL C A 105 GLU N A 105 GLU CA A 105 GLU C 1.0 -71.0 -55.0 PHI 46 46 A 105 GLU C A 106 GLU N A 106 GLU CA A 106 GLU C 1.0 -69.0 -57.0 PHI 47 47 A 106 GLU C A 107 LEU N A 107 LEU CA A 107 LEU C 1.0 -77.0 -49.0 PHI 48 48 A 107 LEU C A 108 PHE N A 108 PHE CA A 108 PHE C 1.0 -77.0 -49.0 PHI 49 49 A 108 PHE C A 109 GLU N A 109 GLU CA A 109 GLU C 1.0 -82.0 -58.0 PHI 50 50 A 109 GLU C A 110 TRP N A 110 TRP CA A 110 TRP C 1.0 -72.0 -56.0 PHI 51 51 A 110 TRP C A 111 PHE N A 111 PHE CA A 111 PHE C 1.0 -75.0 -47.0 PHI 52 52 A 111 PHE C A 112 GLN N A 112 GLN CA A 112 GLN C 1.0 -70.0 -54.0 PHI 53 53 A 112 GLN C A 113 SER N A 113 SER CA A 113 SER C 1.0 -74.0 -54.0 PHI 54 54 A 113 SER C A 114 ILE N A 114 ILE CA A 114 ILE C 1.0 -73.0 -53.0 PHI 55 55 A 114 ILE C A 115 ARG N A 115 ARG CA A 115 ARG C 1.0 -76.0 -52.0 PHI 56 56 A 115 ARG C A 116 GLU N A 116 GLU CA A 116 GLU C 1.0 -78.0 -58.0 PHI 57 57 A 116 GLU C A 117 ILE N A 117 ILE CA A 117 ILE C 1.0 -108.0 -44.0 PHI 58 58 A 14 GLN N A 14 GLN CA A 14 GLN C A 15 GLN N 1.0 94.0 166.0 PSI 59 59 A 15 GLN N A 15 GLN CA A 15 GLN C A 16 GLY N 1.0 127.0 179.0 PSI 60 60 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 LEU N 1.0 107.0 163.0 PSI 61 61 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 TYR N 1.0 130.0 182.0 PSI 62 62 A 19 TYR N A 19 TYR CA A 19 TYR C A 20 MET N 1.0 114.0 166.0 PSI 63 63 A 20 MET N A 20 MET CA A 20 MET C A 21 TRP N 1.0 107.0 163.0 PSI 64 64 A 21 TRP N A 21 TRP CA A 21 TRP C A 22 ASP N 1.0 107.0 151.0 PSI 65 65 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 SER N 1.0 80.0 140.0 PSI 66 66 A 28 TRP N A 28 TRP CA A 28 TRP C A 29 THR N 1.0 109.0 149.0 PSI 67 67 A 29 THR N A 29 THR CA A 29 THR C A 30 ARG N 1.0 97.0 169.0 PSI 68 68 A 30 ARG N A 30 ARG CA A 30 ARG C A 31 HIS N 1.0 122.0 178.0 PSI 69 69 A 31 HIS N A 31 HIS CA A 31 HIS C A 32 TYR N 1.0 103.0 163.0 PSI 70 70 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 CYS N 1.0 96.0 152.0 PSI 71 71 A 33 CYS N A 33 CYS CA A 33 CYS C A 34 ALA N 1.0 123.0 167.0 PSI 72 72 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 ILE N 1.0 107.0 175.0 PSI 73 73 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 ALA N 1.0 105.0 157.0 PSI 74 74 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 ASP N 1.0 86.0 170.0 PSI 75 75 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 LEU N 1.0 102.0 174.0 PSI 76 76 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 SER N 1.0 118.0 146.0 PSI 77 77 A 41 SER N A 41 SER CA A 41 SER C A 42 PHE N 1.0 103.0 163.0 PSI 78 78 A 42 PHE N A 42 PHE CA A 42 PHE C A 43 SER N 1.0 119.0 175.0 PSI 79 79 A 43 SER N A 43 SER CA A 43 SER C A 44 ASP N 1.0 125.0 177.0 PSI 80 80 A 44 ASP N A 44 ASP CA A 44 ASP C A 45 ASP N 1.0 113.0 165.0 PSI 81 81 A 69 TYR N A 69 TYR CA A 69 TYR C A 70 ASN N 1.0 135.0 171.0 PSI 82 82 A 70 ASN N A 70 ASN CA A 70 ASN C A 71 VAL N 1.0 102.0 174.0 PSI 83 83 A 71 VAL N A 71 VAL CA A 71 VAL C A 72 VAL N 1.0 119.0 159.0 PSI 84 84 A 72 VAL N A 72 VAL CA A 72 VAL C A 73 LYS N 1.0 121.0 161.0 PSI 85 85 A 73 LYS N A 73 LYS CA A 73 LYS C A 74 ALA N 1.0 105.0 145.0 PSI 86 86 A 74 ALA N A 74 ALA CA A 74 ALA C A 75 PRO N 1.0 122.0 174.0 PSI 87 87 A 83 PHE N A 83 PHE CA A 83 PHE C A 84 VAL N 1.0 86.0 162.0 PSI 88 88 A 84 VAL N A 84 VAL CA A 84 VAL C A 85 PHE N 1.0 125.0 181.0 PSI 89 89 A 85 PHE N A 85 PHE CA A 85 PHE C A 86 ILE N 1.0 106.0 166.0 PSI 90 90 A 86 ILE N A 86 ILE CA A 86 ILE C A 87 LEU N 1.0 109.0 181.0 PSI 91 91 A 87 LEU N A 87 LEU CA A 87 LEU C A 88 GLU N 1.0 100.0 148.0 PSI 92 92 A 88 GLU N A 88 GLU CA A 88 GLU C A 89 PRO N 1.0 102.0 166.0 PSI 93 93 A 94 ASP N A 94 ASP CA A 94 ASP C A 95 PRO N 1.0 105.0 181.0 PSI 94 94 A 95 PRO N A 95 PRO CA A 95 PRO C A 96 PRO N 1.0 128.0 168.0 PSI 95 95 A 96 PRO N A 96 PRO CA A 96 PRO C A 97 VAL N 1.0 124.0 168.0 PSI 96 96 A 97 VAL N A 97 VAL CA A 97 VAL C A 98 GLU N 1.0 107.0 159.0 PSI 97 97 A 98 GLU N A 98 GLU CA A 98 GLU C A 99 PHE N 1.0 102.0 154.0 PSI 98 98 A 99 PHE N A 99 PHE CA A 99 PHE C A 100 ALA N 1.0 138.0 182.0 PSI 99 99 A 100 ALA N A 100 ALA CA A 100 ALA C A 101 THR N 1.0 136.0 180.0 PSI 100 100 A 101 THR N A 101 THR CA A 101 THR C A 102 ASP N 1.0 120.0 192.0 PSI 101 101 A 104 VAL N A 104 VAL CA A 104 VAL C A 105 GLU N 1.0 -49.0 -25.0 PSI 102 102 A 105 GLU N A 105 GLU CA A 105 GLU C A 106 GLU N 1.0 -56.0 -20.0 PSI 103 103 A 106 GLU N A 106 GLU CA A 106 GLU C A 107 LEU N 1.0 -64.0 -20.0 PSI 104 104 A 107 LEU N A 107 LEU CA A 107 LEU C A 108 PHE N 1.0 -56.0 -28.0 PSI 105 105 A 108 PHE N A 108 PHE CA A 108 PHE C A 109 GLU N 1.0 -48.0 -28.0 PSI 106 106 A 109 GLU N A 109 GLU CA A 109 GLU C A 110 TRP N 1.0 -57.0 -25.0 PSI 107 107 A 110 TRP N A 110 TRP CA A 110 TRP C A 111 PHE N 1.0 -49.0 -37.0 PSI 108 108 A 111 PHE N A 111 PHE CA A 111 PHE C A 112 GLN N 1.0 -59.0 -31.0 PSI 109 109 A 112 GLN N A 112 GLN CA A 112 GLN C A 113 SER N 1.0 -55.0 -19.0 PSI 110 110 A 113 SER N A 113 SER CA A 113 SER C A 114 ILE N 1.0 -51.0 -31.0 PSI 111 111 A 114 ILE N A 114 ILE CA A 114 ILE C A 115 ARG N 1.0 -53.0 -33.0 PSI 112 112 A 115 ARG N A 115 ARG CA A 115 ARG C A 116 GLU N 1.0 -56.0 -28.0 PSI 113 113 A 116 GLU N A 116 GLU CA A 116 GLU C A 117 ILE N 1.0 -55.0 -19.0 PSI 114 114 A 117 ILE N A 117 ILE CA A 117 ILE C A 118 THR N 1.0 -51.0 -23.0 PSI stop_ save_