data_nef_c30740_6wa5 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6WA5 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 2 GLY start . false 2 A 3 ASN middle . . 3 A 4 LEU middle . . 4 A 5 LYS middle . . 5 A 6 SER middle . . 6 A 7 ARG middle . . 7 A 8 ASP middle . . 8 A 9 TRP middle . . 9 A 10 LYS middle . . 10 A 11 MET middle . . 11 A 12 ALA middle . . 12 A 13 ILE middle . . 13 A 14 LYS middle . . 14 A 15 ARG middle . . 15 A 16 CYS middle . . 16 A 17 SER middle . . 17 A 18 ASN middle . . 18 A 19 VAL middle . . 19 A 20 ALA middle . . 20 A 21 VAL middle . . 21 A 22 GLY middle . false 22 A 23 VAL middle . . 23 A 24 GLY middle . false 24 A 25 GLY middle . false 25 A 26 LYS middle . . 26 A 27 SER middle . . 27 A 28 LYS middle . . 28 A 29 LYS middle . . 29 A 30 PHE middle . . 30 A 31 GLY middle . false 31 A 32 GLU middle . . 32 A 33 GLY middle . false 33 A 34 ASN middle . . 34 A 35 PHE middle . . 35 A 36 ARG middle . . 36 A 37 TRP middle . . 37 A 38 ALA middle . . 38 A 39 ILE middle . . 39 A 40 ARG middle . . 40 A 41 MET middle . . 41 A 42 ALA middle . . 42 A 43 ASN middle . . 43 A 44 VAL middle . . 44 A 45 SER middle . . 45 A 46 THR middle . . 46 A 47 GLY middle . false 47 A 48 ARG middle . . 48 A 49 GLU middle . . 49 A 50 PRO middle . false 50 A 51 GLY middle . false 51 A 52 ASP middle . . 52 A 53 ILE middle . . 53 A 54 PRO middle . false 54 A 55 GLU middle . . 55 A 56 THR middle . . 56 A 57 LEU middle . . 57 A 58 ASP middle . . 58 A 59 GLN middle . . 59 A 60 LEU middle . . 60 A 61 ARG middle . . 61 A 62 LEU middle . . 62 A 63 VAL middle . . 63 A 64 ILE middle . . 64 A 65 CYS middle . . 65 A 66 ASP middle . . 66 A 67 LEU middle . . 67 A 68 GLN middle . . 68 A 69 GLU middle . . 69 A 70 ARG middle . . 70 A 71 ARG middle . . 71 A 72 GLU middle . . 72 A 73 LYS middle . . 73 A 74 PHE middle . . 74 A 75 GLY middle . false 75 A 76 SER middle . . 76 A 77 SER middle . . 77 A 78 LYS middle . . 78 A 79 GLU middle . . 79 A 80 ILE middle . . 80 A 81 ASP middle . . 81 A 82 MET middle . . 82 A 83 ALA middle . . 83 A 84 ILE middle . . 84 A 85 VAL middle . . 85 A 86 THR middle . . 86 A 87 LEU middle . . 87 A 88 LYS middle . . 88 A 89 VAL middle . . 89 A 90 PHE middle . . 90 A 91 ALA middle . . 91 A 92 VAL middle . . 92 A 93 ALA middle . . 93 A 94 GLY middle . false 94 A 95 LEU middle . . 95 A 96 LEU middle . . 96 A 97 ASN middle . . 97 A 98 MET middle . . 98 A 99 THR middle . . 99 A 100 VAL middle . . 100 A 101 SER middle . . 101 A 102 THR middle . . 102 A 103 ALA middle . . 103 A 104 ALA middle . . 104 A 105 ALA middle . . 105 A 106 ALA middle . . 106 A 107 GLU middle . . 107 A 108 ASN middle . . 108 A 109 MET middle . . 109 A 110 TYR middle . . 110 A 111 SER middle . . 111 A 112 GLN middle . . 112 A 113 MET middle . . 113 A 114 GLY middle . false 114 A 115 LEU middle . . 115 A 116 ASP middle . . 116 A 117 THR middle . . 117 A 118 ARG middle . . 118 A 119 PRO middle . false 119 A 120 HIS middle . . 120 A 121 HIS middle . . 121 A 122 HIS middle . . 122 A 123 HIS middle . . 123 A 124 HIS middle . . 124 A 125 HIS middle . . 125 A 126 HIS middle . . 126 A 127 HIS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 GLY H1 H 1 8.6778 0.0000 A 2 GLY N N 15 110.3802 0.0000 A 3 ASN H H 1 8.8106 0.0000 A 3 ASN HD2x H 1 6.9474 0.0000 A 3 ASN HD2y H 1 7.6962 0.0000 A 3 ASN C C 13 173.0510 0.0000 A 3 ASN CA C 13 53.3839 0.0000 A 3 ASN CB C 13 40.3620 0.0000 A 3 ASN N N 15 118.1673 0.0000 A 3 ASN ND2 N 15 112.9616 0.0000 A 4 LEU H H 1 8.2199 0.0000 A 4 LEU HA H 1 4.1303 0.0000 A 4 LEU HBx H 1 1.7722 0.0000 A 4 LEU HG H 1 1.6448 0.0000 A 4 LEU C C 13 175.0054 0.0000 A 4 LEU CA C 13 56.5312 0.0000 A 4 LEU CB C 13 42.8017 0.0000 A 4 LEU CG C 13 27.6345 0.0000 A 4 LEU N N 15 122.1230 0.0000 A 5 LYS H H 1 8.6212 0.0000 A 5 LYS HA H 1 4.1212 0.0000 A 5 LYS C C 13 175.4204 0.0000 A 5 LYS CA C 13 57.0428 0.0000 A 5 LYS CB C 13 33.1513 0.0000 A 5 LYS N N 15 121.8326 0.0000 A 6 SER H H 1 8.3509 0.0000 A 6 SER HA H 1 4.3493 0.0000 A 6 SER HBx H 1 4.0719 0.0000 A 6 SER C C 13 173.8043 0.0000 A 6 SER CA C 13 60.5587 0.0000 A 6 SER CB C 13 64.3428 0.0000 A 6 SER N N 15 116.9723 0.0000 A 7 ARG H H 1 8.7596 0.0000 A 7 ARG HA H 1 4.1258 0.0000 A 7 ARG HBx H 1 1.9305 0.0000 A 7 ARG C C 13 175.8457 0.0000 A 7 ARG CA C 13 59.3599 0.0000 A 7 ARG CB C 13 30.6366 0.0000 A 7 ARG N N 15 122.0910 0.0000 A 8 ASP H H 1 8.0071 0.0000 A 8 ASP HA H 1 4.1560 0.0000 A 8 ASP C C 13 176.4173 0.0000 A 8 ASP CA C 13 57.1742 0.0000 A 8 ASP CB C 13 41.2490 0.0000 A 8 ASP N N 15 119.0422 0.0000 A 9 TRP H H 1 8.3120 0.0000 A 9 TRP HA H 1 4.4529 0.0000 A 9 TRP HD1 H 1 7.2212 0.0000 A 9 TRP HE1 H 1 10.4449 0.0000 A 9 TRP HE3 H 1 7.6350 0.0000 A 9 TRP HH2 H 1 6.7161 0.0000 A 9 TRP HZ2 H 1 7.2613 0.0000 A 9 TRP HZ3 H 1 6.9988 0.0000 A 9 TRP C C 13 174.6990 0.0000 A 9 TRP CA C 13 61.2612 0.0000 A 9 TRP CB C 13 29.8908 0.0000 A 9 TRP CD1 C 13 129.1751 0.0000 A 9 TRP CH2 C 13 123.6934 0.0000 A 9 TRP CZ2 C 13 113.9422 0.0000 A 9 TRP N N 15 122.8495 0.0000 A 9 TRP NE1 N 15 129.7833 0.0000 A 10 LYS H H 1 8.3089 0.0000 A 10 LYS HA H 1 3.8190 0.0000 A 10 LYS HBy H 1 2.0129 0.0000 A 10 LYS HBx H 1 1.8831 0.0000 A 10 LYS HGx H 1 1.5589 0.0000 A 10 LYS C C 13 178.1221 0.0000 A 10 LYS CA C 13 60.6713 0.0000 A 10 LYS CB C 13 32.7857 0.0000 A 10 LYS CG C 13 26.2101 0.0000 A 10 LYS N N 15 116.7403 0.0000 A 11 MET H H 1 8.1611 0.0000 A 11 MET HA H 1 4.2662 0.0000 A 11 MET C C 13 176.0898 0.0000 A 11 MET CA C 13 58.5241 0.0000 A 11 MET CB C 13 32.5991 0.0000 A 11 MET CE C 13 17.8624 0.0000 A 11 MET N N 15 117.7056 0.0000 A 12 ALA H H 1 7.9156 0.0000 A 12 ALA HA H 1 3.8530 0.0000 A 12 ALA C C 13 177.6095 0.0000 A 12 ALA CA C 13 55.9283 0.0000 A 12 ALA CB C 13 18.5094 0.0000 A 12 ALA N N 15 122.3886 0.0000 A 13 ILE H H 1 8.2472 0.0000 A 13 ILE HA H 1 3.2619 0.0000 A 13 ILE HB H 1 1.9570 0.0000 A 13 ILE HG1x H 1 0.7322 0.0000 A 13 ILE C C 13 177.1811 0.0000 A 13 ILE CA C 13 63.5042 0.0000 A 13 ILE CB C 13 36.1887 0.0000 A 13 ILE CD1 C 13 11.1246 0.0000 A 13 ILE CG1 C 13 27.3618 0.0000 A 13 ILE CG2 C 13 18.3459 0.0000 A 13 ILE N N 15 117.3636 0.0000 A 14 LYS H H 1 7.8711 0.0000 A 14 LYS HA H 1 3.9815 0.0000 A 14 LYS C C 13 178.2808 0.0000 A 14 LYS CA C 13 60.5041 0.0000 A 14 LYS CB C 13 32.4437 0.0000 A 14 LYS CD C 13 29.4808 0.0000 A 14 LYS CE C 13 42.3082 0.0000 A 14 LYS CG C 13 26.0401 0.0000 A 14 LYS N N 15 122.1055 0.0000 A 15 ARG H H 1 7.8240 0.0000 A 15 ARG HA H 1 4.1120 0.0000 A 15 ARG HE H 1 7.1139 0.0000 A 15 ARG C C 13 177.5756 0.0000 A 15 ARG CA C 13 60.2371 0.0000 A 15 ARG CB C 13 32.0360 0.0000 A 15 ARG CD C 13 44.2472 0.0000 A 15 ARG CG C 13 25.9896 0.0000 A 15 ARG N N 15 118.7204 0.0000 A 16 CYS H H 1 7.7942 0.0000 A 16 CYS HA H 1 4.0621 0.0000 A 16 CYS C C 13 173.4688 0.0000 A 16 CYS CA C 13 62.7722 0.0000 A 16 CYS CB C 13 29.2067 0.0000 A 16 CYS N N 15 115.8294 0.0000 A 17 SER H H 1 7.7431 0.0000 A 17 SER HA H 1 4.8207 0.0000 A 17 SER C C 13 171.4244 0.0000 A 17 SER CA C 13 61.3478 0.0000 A 17 SER CB C 13 64.1061 0.0000 A 17 SER N N 15 113.4625 0.0000 A 18 ASN H H 1 7.5711 0.0000 A 18 ASN HA H 1 4.4416 0.0000 A 18 ASN HBy H 1 3.0653 0.0000 A 18 ASN HBx H 1 2.7334 0.0000 A 18 ASN HD2x H 1 7.0149 0.0000 A 18 ASN HD2y H 1 7.6313 0.0000 A 18 ASN C C 13 172.8542 0.0000 A 18 ASN CA C 13 53.6288 0.0000 A 18 ASN CB C 13 40.4420 0.0000 A 18 ASN N N 15 115.9748 0.0000 A 18 ASN ND2 N 15 113.9109 0.0000 A 19 VAL H H 1 7.9294 0.0000 A 19 VAL HA H 1 3.8846 0.0000 A 19 VAL HB H 1 2.4949 0.0000 A 19 VAL C C 13 172.4448 0.0000 A 19 VAL CA C 13 63.7556 0.0000 A 19 VAL CB C 13 32.5485 0.0000 A 19 VAL CGy C 13 22.1127 0.0000 A 19 VAL CGx C 13 21.3196 0.0000 A 19 VAL N N 15 122.2381 0.0000 A 20 ALA H H 1 8.2440 0.0000 A 20 ALA HA H 1 4.8375 0.0000 A 20 ALA C C 13 175.2961 0.0000 A 20 ALA CA C 13 52.6623 0.0000 A 20 ALA CB C 13 20.8832 0.0000 A 20 ALA N N 15 129.0820 0.0000 A 21 VAL H H 1 8.4013 0.0000 A 21 VAL HA H 1 3.7802 0.0000 A 21 VAL HB H 1 1.6605 0.0000 A 21 VAL C C 13 174.4095 0.0000 A 21 VAL CA C 13 64.2636 0.0000 A 21 VAL CB C 13 32.9092 0.0000 A 21 VAL CGy C 13 20.5427 0.0000 A 21 VAL CGx C 13 20.0595 0.0000 A 21 VAL N N 15 119.1201 0.0000 A 22 GLY H H 1 8.1769 0.0000 A 22 GLY C C 13 171.2576 0.0000 A 22 GLY CA C 13 45.2292 0.0000 A 22 GLY N N 15 108.4834 0.0000 A 23 VAL H H 1 8.0384 0.0000 A 23 VAL HA H 1 3.9647 0.0000 A 23 VAL HB H 1 2.1463 0.0000 A 23 VAL C C 13 175.0906 0.0000 A 23 VAL CA C 13 62.4735 0.0000 A 23 VAL CB C 13 33.6837 0.0000 A 23 VAL N N 15 117.0706 0.0000 A 24 GLY H H 1 8.6785 0.0000 A 24 GLY C C 13 173.2250 0.0000 A 24 GLY CA C 13 45.9774 0.0000 A 24 GLY N N 15 112.6301 0.0000 A 25 GLY H H 1 8.5866 0.0000 A 25 GLY C C 13 172.6585 0.0000 A 25 GLY CA C 13 46.3861 0.0000 A 25 GLY N N 15 109.4844 0.0000 A 26 LYS H H 1 8.2404 0.0000 A 26 LYS HA H 1 4.0529 0.0000 A 26 LYS C C 13 174.2930 0.0000 A 26 LYS CA C 13 56.5233 0.0000 A 26 LYS CB C 13 32.8870 0.0000 A 26 LYS N N 15 119.8783 0.0000 A 27 SER H H 1 7.8246 0.0000 A 27 SER HA H 1 4.5106 0.0000 A 27 SER C C 13 172.4712 0.0000 A 27 SER CA C 13 58.1090 0.0000 A 27 SER CB C 13 64.8031 0.0000 A 27 SER N N 15 114.3634 0.0000 A 28 LYS H H 1 8.3112 0.0000 A 28 LYS HA H 1 4.5622 0.0000 A 28 LYS C C 13 173.7045 0.0000 A 28 LYS CA C 13 56.9310 0.0000 A 28 LYS CB C 13 34.0551 0.0000 A 28 LYS N N 15 123.3261 0.0000 A 29 LYS H H 1 8.4939 0.0000 A 29 LYS HA H 1 4.1883 0.0000 A 29 LYS C C 13 175.8481 0.0000 A 29 LYS CA C 13 55.2084 0.0000 A 29 LYS CB C 13 34.9768 0.0000 A 29 LYS CD C 13 29.3596 0.0000 A 29 LYS CG C 13 25.4002 0.0000 A 29 LYS N N 15 120.8239 0.0000 A 30 PHE H H 1 8.1941 0.0000 A 30 PHE HA H 1 4.0288 0.0000 A 30 PHE HBy H 1 3.1008 0.0000 A 30 PHE HBx H 1 3.0351 0.0000 A 30 PHE HZ H 1 7.1740 0.0000 A 30 PHE C C 13 173.5880 0.0000 A 30 PHE CA C 13 61.3142 0.0000 A 30 PHE CB C 13 41.7354 0.0000 A 30 PHE N N 15 119.5387 0.0000 A 31 GLY H H 1 8.4332 0.0000 A 31 GLY C C 13 172.2888 0.0000 A 31 GLY CA C 13 44.0515 0.0000 A 31 GLY N N 15 106.9207 0.0000 A 32 GLU H H 1 9.1211 0.0000 A 32 GLU HA H 1 4.1084 0.0000 A 32 GLU C C 13 176.7873 0.0000 A 32 GLU CA C 13 61.6499 0.0000 A 32 GLU CB C 13 30.4301 0.0000 A 32 GLU N N 15 120.1209 0.0000 A 33 GLY H H 1 9.2722 0.0000 A 33 GLY C C 13 175.1606 0.0000 A 33 GLY N N 15 104.9595 0.0000 A 34 ASN H H 1 7.9818 0.0000 A 34 ASN HA H 1 4.1141 0.0000 A 34 ASN HD2x H 1 7.0748 0.0000 A 34 ASN HD2y H 1 7.9308 0.0000 A 34 ASN C C 13 175.0772 0.0000 A 34 ASN CA C 13 58.3720 0.0000 A 34 ASN CB C 13 39.5193 0.0000 A 34 ASN N N 15 118.2783 0.0000 A 34 ASN ND2 N 15 111.6375 0.0000 A 35 PHE H H 1 7.2902 0.0000 A 35 PHE HA H 1 3.7630 0.0000 A 35 PHE HBy H 1 2.9259 0.0000 A 35 PHE HBx H 1 2.8738 0.0000 A 35 PHE HZ H 1 6.6881 0.0000 A 35 PHE C C 13 175.1311 0.0000 A 35 PHE CA C 13 63.1326 0.0000 A 35 PHE CB C 13 39.6573 0.0000 A 35 PHE N N 15 117.3485 0.0000 A 36 ARG H H 1 8.5505 0.0000 A 36 ARG HA H 1 4.1236 0.0000 A 36 ARG HGx H 1 1.9621 0.0000 A 36 ARG C C 13 176.9062 0.0000 A 36 ARG CA C 13 60.6649 0.0000 A 36 ARG CB C 13 30.6414 0.0000 A 36 ARG CD C 13 43.8295 0.0000 A 36 ARG CG C 13 29.6192 0.0000 A 36 ARG N N 15 117.8793 0.0000 A 37 TRP H H 1 8.1980 0.0000 A 37 TRP HA H 1 4.0543 0.0000 A 37 TRP HD1 H 1 7.3918 0.0000 A 37 TRP HE1 H 1 10.3847 0.0000 A 37 TRP HE3 H 1 7.8727 0.0000 A 37 TRP HH2 H 1 7.6235 0.0000 A 37 TRP HZ2 H 1 7.4445 0.0000 A 37 TRP HZ3 H 1 6.7544 0.0000 A 37 TRP C C 13 175.2021 0.0000 A 37 TRP CA C 13 62.3625 0.0000 A 37 TRP CB C 13 28.6077 0.0000 A 37 TRP CD1 C 13 128.2845 0.0000 A 37 TRP CE3 C 13 121.4363 0.0000 A 37 TRP CH2 C 13 124.7343 0.0000 A 37 TRP CZ2 C 13 114.5625 0.0000 A 37 TRP CZ3 C 13 120.2175 0.0000 A 37 TRP N N 15 118.7364 0.0000 A 37 TRP NE1 N 15 130.7332 0.0000 A 38 ALA H H 1 8.2812 0.0000 A 38 ALA HA H 1 3.3044 0.0000 A 38 ALA C C 13 176.8339 0.0000 A 38 ALA CA C 13 55.8500 0.0000 A 38 ALA CB C 13 19.8950 0.0000 A 38 ALA N N 15 120.5977 0.0000 A 39 ILE H H 1 8.2699 0.0000 A 39 ILE HA H 1 3.7050 0.0000 A 39 ILE HB H 1 1.7653 0.0000 A 39 ILE C C 13 174.3776 0.0000 A 39 ILE CA C 13 64.2119 0.0000 A 39 ILE CB C 13 38.8911 0.0000 A 39 ILE CD1 C 13 13.8474 0.0000 A 39 ILE CG2 C 13 18.9067 0.0000 A 39 ILE N N 15 116.2998 0.0000 A 40 ARG H H 1 7.3340 0.0000 A 40 ARG HA H 1 4.1069 0.0000 A 40 ARG HE H 1 7.1931 0.0000 A 40 ARG C C 13 176.2574 0.0000 A 40 ARG CA C 13 60.9264 0.0000 A 40 ARG CB C 13 30.1729 0.0000 A 40 ARG CD C 13 43.9277 0.0000 A 40 ARG CG C 13 29.6315 0.0000 A 40 ARG N N 15 119.9853 0.0000 A 41 MET H H 1 8.0635 0.0000 A 41 MET HA H 1 4.0082 0.0000 A 41 MET C C 13 177.3930 0.0000 A 41 MET CA C 13 58.2884 0.0000 A 41 MET CB C 13 31.5170 0.0000 A 41 MET CE C 13 19.0497 0.0000 A 41 MET CG C 13 32.4458 0.0000 A 41 MET N N 15 117.4977 0.0000 A 42 ALA H H 1 8.5070 0.0000 A 42 ALA HA H 1 3.7967 0.0000 A 42 ALA C C 13 177.6673 0.0000 A 42 ALA CA C 13 55.6562 0.0000 A 42 ALA CB C 13 20.2303 0.0000 A 42 ALA N N 15 123.6051 0.0000 A 43 ASN H H 1 8.5943 0.0000 A 43 ASN HA H 1 4.0995 0.0000 A 43 ASN HBy H 1 2.7684 0.0000 A 43 ASN HBx H 1 2.3835 0.0000 A 43 ASN HD2x H 1 6.2927 0.0000 A 43 ASN HD2y H 1 7.1288 0.0000 A 43 ASN C C 13 175.8984 0.0000 A 43 ASN CA C 13 56.8020 0.0000 A 43 ASN CB C 13 38.4598 0.0000 A 43 ASN N N 15 119.3672 0.0000 A 43 ASN ND2 N 15 109.8556 0.0000 A 44 VAL H H 1 8.5649 0.0000 A 44 VAL HA H 1 3.9686 0.0000 A 44 VAL HB H 1 2.2168 0.0000 A 44 VAL C C 13 177.9375 0.0000 A 44 VAL CA C 13 66.6545 0.0000 A 44 VAL CB C 13 32.0157 0.0000 A 44 VAL CGy C 13 21.9312 0.0000 A 44 VAL CGx C 13 21.6540 0.0000 A 44 VAL N N 15 118.5800 0.0000 A 45 SER H H 1 8.0604 0.0000 A 45 SER HA H 1 4.1698 0.0000 A 45 SER C C 13 172.1842 0.0000 A 45 SER CA C 13 62.0149 0.0000 A 45 SER CB C 13 64.6360 0.0000 A 45 SER N N 15 113.6107 0.0000 A 46 THR H H 1 7.5531 0.0000 A 46 THR HA H 1 4.3792 0.0000 A 46 THR HB H 1 4.0590 0.0000 A 46 THR HG2% H 1 1.1231 0.0000 A 46 THR C C 13 172.6003 0.0000 A 46 THR CA C 13 61.4385 0.0000 A 46 THR CB C 13 70.4234 0.0000 A 46 THR CG2 C 13 22.0353 0.0000 A 46 THR N N 15 106.2350 0.0000 A 47 GLY H H 1 7.5702 0.0000 A 47 GLY HAy H 1 4.1308 0.0000 A 47 GLY HAx H 1 3.9181 0.0000 A 47 GLY C C 13 172.5297 0.0000 A 47 GLY CA C 13 47.0973 0.0000 A 47 GLY N N 15 109.3933 0.0000 A 48 ARG H H 1 8.2805 0.0000 A 48 ARG HA H 1 4.4164 0.0000 A 48 ARG C C 13 173.8039 0.0000 A 48 ARG CA C 13 55.7820 0.0000 A 48 ARG CB C 13 32.8933 0.0000 A 48 ARG CD C 13 43.8101 0.0000 A 48 ARG CG C 13 28.9092 0.0000 A 48 ARG N N 15 120.5897 0.0000 A 49 GLU H H 1 8.6544 0.0000 A 49 GLU HA H 1 4.4141 0.0000 A 49 GLU HBx H 1 2.1104 0.0000 A 49 GLU C C 13 176.6698 0.0000 A 49 GLU CA C 13 55.3443 0.0000 A 49 GLU CB C 13 29.0556 0.0000 A 49 GLU CG C 13 37.6704 0.0000 A 49 GLU N N 15 122.7793 0.0000 A 50 PRO C C 13 176.1826 0.0000 A 50 PRO CA C 13 66.4635 0.0000 A 50 PRO CB C 13 32.3526 0.0000 A 50 PRO CG C 13 29.4836 0.0000 A 51 GLY H H 1 8.3952 0.0000 A 51 GLY HAy H 1 4.0740 0.0000 A 51 GLY HAx H 1 3.5858 0.0000 A 51 GLY C C 13 171.8374 0.0000 A 51 GLY CA C 13 45.5300 0.0000 A 51 GLY N N 15 102.5652 0.0000 A 52 ASP H H 1 7.2119 0.0000 A 52 ASP HA H 1 4.4615 0.0000 A 52 ASP C C 13 173.7925 0.0000 A 52 ASP CA C 13 55.1330 0.0000 A 52 ASP CB C 13 40.2098 0.0000 A 52 ASP N N 15 120.5813 0.0000 A 53 ILE H H 1 8.1351 0.0000 A 53 ILE HA H 1 4.4617 0.0000 A 53 ILE HB H 1 1.7286 0.0000 A 53 ILE HD1% H 1 0.7307 0.0000 A 53 ILE C C 13 174.2950 0.0000 A 53 ILE CA C 13 57.6518 0.0000 A 53 ILE CB C 13 41.0237 0.0000 A 53 ILE CD1 C 13 13.6038 0.0000 A 53 ILE CG1 C 13 27.0760 0.0000 A 53 ILE CG2 C 13 17.6773 0.0000 A 53 ILE N N 15 127.3081 0.0000 A 54 PRO HA H 1 4.2876 0.0000 A 54 PRO HDy H 1 3.6288 0.0000 A 54 PRO HGx H 1 2.0011 0.0000 A 54 PRO C C 13 173.5127 0.0000 A 54 PRO CA C 13 63.5450 0.0000 A 54 PRO CB C 13 32.4139 0.0000 A 54 PRO CD C 13 51.6768 0.0000 A 54 PRO CG C 13 28.2593 0.0000 A 55 GLU H H 1 8.5758 0.0000 A 55 GLU HA H 1 4.3672 0.0000 A 55 GLU HGx H 1 2.5524 0.0000 A 55 GLU C C 13 174.3553 0.0000 A 55 GLU CA C 13 57.5311 0.0000 A 55 GLU CB C 13 32.2608 0.0000 A 55 GLU CG C 13 37.6850 0.0000 A 55 GLU N N 15 119.3826 0.0000 A 56 THR H H 1 7.4678 0.0000 A 56 THR HA H 1 4.0974 0.0000 A 56 THR HB H 1 4.6464 0.0000 A 56 THR C C 13 172.5774 0.0000 A 56 THR CA C 13 63.6908 0.0000 A 56 THR CB C 13 73.4706 0.0000 A 56 THR CG2 C 13 22.4689 0.0000 A 56 THR N N 15 105.3716 0.0000 A 57 LEU H H 1 9.1847 0.0000 A 57 LEU HA H 1 4.0899 0.0000 A 57 LEU HG H 1 1.7414 0.0000 A 57 LEU C C 13 176.2958 0.0000 A 57 LEU CA C 13 58.7045 0.0000 A 57 LEU CB C 13 41.6128 0.0000 A 57 LEU CG C 13 27.7672 0.0000 A 57 LEU N N 15 122.8697 0.0000 A 58 ASP H H 1 8.6375 0.0000 A 58 ASP HA H 1 4.2948 0.0000 A 58 ASP C C 13 176.3385 0.0000 A 58 ASP CA C 13 58.9366 0.0000 A 58 ASP CB C 13 40.7315 0.0000 A 58 ASP N N 15 118.3059 0.0000 A 59 GLN H H 1 7.7020 0.0000 A 59 GLN HA H 1 4.1060 0.0000 A 59 GLN HE2x H 1 7.1700 0.0000 A 59 GLN HE2y H 1 7.5313 0.0000 A 59 GLN C C 13 177.2679 0.0000 A 59 GLN CA C 13 59.5426 0.0000 A 59 GLN CB C 13 29.4473 0.0000 A 59 GLN CG C 13 34.6190 0.0000 A 59 GLN N N 15 116.8135 0.0000 A 59 GLN NE2 N 15 111.7515 0.0000 A 60 LEU H H 1 8.1858 0.0000 A 60 LEU HA H 1 4.1270 0.0000 A 60 LEU HBy H 1 2.2617 0.0000 A 60 LEU HBx H 1 1.6055 0.0000 A 60 LEU HG H 1 2.0571 0.0000 A 60 LEU C C 13 175.9833 0.0000 A 60 LEU CA C 13 58.5093 0.0000 A 60 LEU CB C 13 42.6049 0.0000 A 60 LEU CDx C 13 24.6850 0.0000 A 60 LEU CG C 13 29.2264 0.0000 A 60 LEU N N 15 121.0046 0.0000 A 61 ARG H H 1 9.2336 0.0000 A 61 ARG HA H 1 4.1456 0.0000 A 61 ARG HE H 1 6.9930 0.0000 A 61 ARG C C 13 177.1577 0.0000 A 61 ARG CA C 13 60.0164 0.0000 A 61 ARG CB C 13 35.6468 0.0000 A 61 ARG CD C 13 44.3200 0.0000 A 61 ARG CG C 13 27.4201 0.0000 A 61 ARG N N 15 118.1739 0.0000 A 62 LEU H H 1 7.7164 0.0000 A 62 LEU HA H 1 4.0140 0.0000 A 62 LEU C C 13 176.1553 0.0000 A 62 LEU CA C 13 59.4326 0.0000 A 62 LEU CB C 13 41.9410 0.0000 A 62 LEU CG C 13 27.6042 0.0000 A 62 LEU N N 15 118.3811 0.0000 A 63 VAL H H 1 7.4344 0.0000 A 63 VAL HA H 1 3.6566 0.0000 A 63 VAL HB H 1 2.3705 0.0000 A 63 VAL C C 13 175.8824 0.0000 A 63 VAL CA C 13 67.8018 0.0000 A 63 VAL CB C 13 32.1870 0.0000 A 63 VAL CGx C 13 22.2295 0.0000 A 63 VAL N N 15 118.8789 0.0000 A 64 ILE H H 1 8.3083 0.0000 A 64 ILE HA H 1 3.4928 0.0000 A 64 ILE HB H 1 1.9754 0.0000 A 64 ILE C C 13 176.2978 0.0000 A 64 ILE CA C 13 67.9124 0.0000 A 64 ILE CB C 13 38.1371 0.0000 A 64 ILE CD1 C 13 13.8941 0.0000 A 64 ILE CG2 C 13 18.3323 0.0000 A 64 ILE N N 15 119.5671 0.0000 A 65 CYS H H 1 9.0200 0.0000 A 65 CYS HA H 1 4.2853 0.0000 A 65 CYS HBx H 1 2.9613 0.0000 A 65 CYS HBy H 1 3.1092 0.0000 A 65 CYS C C 13 175.6217 0.0000 A 65 CYS CA C 13 64.6932 0.0000 A 65 CYS CB C 13 27.0369 0.0000 A 65 CYS N N 15 118.4305 0.0000 A 66 ASP H H 1 8.4813 0.0000 A 66 ASP HA H 1 4.4583 0.0000 A 66 ASP HBx H 1 3.0555 0.0000 A 66 ASP C C 13 177.4175 0.0000 A 66 ASP CA C 13 59.2735 0.0000 A 66 ASP CB C 13 41.1080 0.0000 A 66 ASP N N 15 120.7096 0.0000 A 67 LEU H H 1 8.6176 0.0000 A 67 LEU HA H 1 4.0691 0.0000 A 67 LEU HG H 1 1.6752 0.0000 A 67 LEU C C 13 176.7303 0.0000 A 67 LEU CA C 13 58.4813 0.0000 A 67 LEU CB C 13 43.1863 0.0000 A 67 LEU CDx C 13 26.1042 0.0000 A 67 LEU CG C 13 26.4551 0.0000 A 67 LEU N N 15 122.4496 0.0000 A 68 GLN H H 1 9.0217 0.0000 A 68 GLN HA H 1 4.0284 0.0000 A 68 GLN HGx H 1 2.7487 0.0000 A 68 GLN C C 13 176.8584 0.0000 A 68 GLN CA C 13 60.3241 0.0000 A 68 GLN CB C 13 28.4294 0.0000 A 68 GLN CG C 13 36.9059 0.0000 A 68 GLN N N 15 119.3602 0.0000 A 68 GLN NE2 N 15 111.2382 0.0000 A 69 GLU H H 1 8.4529 0.0000 A 69 GLU HA H 1 4.2311 0.0000 A 69 GLU C C 13 177.0620 0.0000 A 69 GLU CA C 13 60.3454 0.0000 A 69 GLU CB C 13 29.7781 0.0000 A 69 GLU CG C 13 37.5694 0.0000 A 69 GLU N N 15 120.2036 0.0000 A 70 ARG H H 1 7.9000 0.0000 A 70 ARG HA H 1 3.8806 0.0000 A 70 ARG HE H 1 7.5438 0.0000 A 70 ARG C C 13 176.3905 0.0000 A 70 ARG CA C 13 60.0106 0.0000 A 70 ARG CB C 13 29.9852 0.0000 A 70 ARG CD C 13 43.9711 0.0000 A 70 ARG CG C 13 27.4978 0.0000 A 70 ARG N N 15 119.5610 0.0000 A 71 ARG H H 1 8.2486 0.0000 A 71 ARG HA H 1 4.2473 0.0000 A 71 ARG HE H 1 7.9100 0.0000 A 71 ARG C C 13 176.5971 0.0000 A 71 ARG CA C 13 59.3384 0.0000 A 71 ARG CB C 13 30.6725 0.0000 A 71 ARG CD C 13 44.0479 0.0000 A 71 ARG CG C 13 27.3281 0.0000 A 71 ARG N N 15 120.2014 0.0000 A 72 GLU H H 1 8.0194 0.0000 A 72 GLU HA H 1 4.1078 0.0000 A 72 GLU C C 13 175.9009 0.0000 A 72 GLU CA C 13 59.3609 0.0000 A 72 GLU CB C 13 30.0495 0.0000 A 72 GLU CG C 13 36.8953 0.0000 A 72 GLU N N 15 118.6803 0.0000 A 73 LYS H H 1 7.8268 0.0000 A 73 LYS HA H 1 4.1007 0.0000 A 73 LYS HBy H 1 1.5812 0.0000 A 73 LYS HBx H 1 1.2807 0.0000 A 73 LYS C C 13 175.9293 0.0000 A 73 LYS CA C 13 59.0236 0.0000 A 73 LYS CB C 13 34.0008 0.0000 A 73 LYS CD C 13 29.3940 0.0000 A 73 LYS CE C 13 42.6456 0.0000 A 73 LYS CG C 13 24.0304 0.0000 A 73 LYS N N 15 117.1886 0.0000 A 74 PHE H H 1 8.5160 0.0000 A 74 PHE HA H 1 4.1588 0.0000 A 74 PHE HBy H 1 3.4780 0.0000 A 74 PHE HBx H 1 3.0392 0.0000 A 74 PHE C C 13 174.6447 0.0000 A 74 PHE CA C 13 58.6712 0.0000 A 74 PHE CB C 13 40.8743 0.0000 A 74 PHE N N 15 114.9575 0.0000 A 75 GLY H H 1 7.8082 0.0000 A 75 GLY HAy H 1 4.5737 0.0000 A 75 GLY HAx H 1 3.9116 0.0000 A 75 GLY C C 13 171.1349 0.0000 A 75 GLY CA C 13 45.1931 0.0000 A 75 GLY N N 15 109.7593 0.0000 A 76 SER H H 1 8.4025 0.0000 A 76 SER HA H 1 4.7417 0.0000 A 76 SER C C 13 172.4194 0.0000 A 76 SER CA C 13 58.1485 0.0000 A 76 SER CB C 13 65.4123 0.0000 A 76 SER N N 15 113.1625 0.0000 A 77 SER H H 1 8.0990 0.0000 A 77 SER HA H 1 4.6322 0.0000 A 77 SER C C 13 172.3777 0.0000 A 77 SER CA C 13 57.4690 0.0000 A 77 SER CB C 13 66.4058 0.0000 A 77 SER N N 15 115.0843 0.0000 A 78 LYS H H 1 9.0477 0.0000 A 78 LYS HA H 1 4.2279 0.0000 A 78 LYS C C 13 177.4128 0.0000 A 78 LYS CA C 13 60.4262 0.0000 A 78 LYS CB C 13 32.5377 0.0000 A 78 LYS N N 15 122.4285 0.0000 A 79 GLU H H 1 8.7508 0.0000 A 79 GLU HA H 1 4.3440 0.0000 A 79 GLU C C 13 176.4394 0.0000 A 79 GLU CA C 13 61.4091 0.0000 A 79 GLU CB C 13 30.2038 0.0000 A 79 GLU CG C 13 39.1495 0.0000 A 79 GLU N N 15 118.0357 0.0000 A 80 ILE H H 1 7.8883 0.0000 A 80 ILE HA H 1 3.8071 0.0000 A 80 ILE HB H 1 2.0184 0.0000 A 80 ILE C C 13 175.6103 0.0000 A 80 ILE CA C 13 65.6899 0.0000 A 80 ILE CB C 13 37.7122 0.0000 A 80 ILE CD1 C 13 13.1117 0.0000 A 80 ILE CG1 C 13 29.7478 0.0000 A 80 ILE CG2 C 13 18.4561 0.0000 A 80 ILE N N 15 120.4398 0.0000 A 81 ASP H H 1 8.3951 0.0000 A 81 ASP HA H 1 4.4651 0.0000 A 81 ASP C C 13 177.6100 0.0000 A 81 ASP CA C 13 58.6920 0.0000 A 81 ASP CB C 13 40.0844 0.0000 A 81 ASP N N 15 120.6782 0.0000 A 82 MET H H 1 8.2201 0.0000 A 82 MET HA H 1 4.1775 0.0000 A 82 MET C C 13 177.8286 0.0000 A 82 MET CA C 13 58.2799 0.0000 A 82 MET CB C 13 33.2547 0.0000 A 82 MET CE C 13 17.7258 0.0000 A 82 MET CG C 13 32.6553 0.0000 A 82 MET N N 15 118.6989 0.0000 A 83 ALA H H 1 9.0028 0.0000 A 83 ALA HA H 1 4.1555 0.0000 A 83 ALA C C 13 176.7796 0.0000 A 83 ALA CA C 13 57.1161 0.0000 A 83 ALA CB C 13 17.9751 0.0000 A 83 ALA N N 15 127.1453 0.0000 A 84 ILE H H 1 8.4751 0.0000 A 84 ILE HA H 1 3.4646 0.0000 A 84 ILE HB H 1 2.0572 0.0000 A 84 ILE C C 13 175.5363 0.0000 A 84 ILE CA C 13 67.8659 0.0000 A 84 ILE CB C 13 38.7754 0.0000 A 84 ILE CD1 C 13 15.0328 0.0000 A 84 ILE CG2 C 13 18.5293 0.0000 A 84 ILE N N 15 116.7500 0.0000 A 85 VAL H H 1 7.8457 0.0000 A 85 VAL HA H 1 3.6285 0.0000 A 85 VAL HB H 1 2.3594 0.0000 A 85 VAL C C 13 175.5494 0.0000 A 85 VAL CA C 13 67.8114 0.0000 A 85 VAL CB C 13 32.6363 0.0000 A 85 VAL CGx C 13 22.6072 0.0000 A 85 VAL CGy C 13 22.9364 0.0000 A 85 VAL N N 15 117.8248 0.0000 A 86 THR H H 1 8.2038 0.0000 A 86 THR HA H 1 3.6473 0.0000 A 86 THR HB H 1 3.6481 0.0000 A 86 THR HG2% H 1 1.5271 0.0000 A 86 THR C C 13 174.4728 0.0000 A 86 THR CA C 13 68.0427 0.0000 A 86 THR CB C 13 69.1966 0.0000 A 86 THR CG2 C 13 19.5955 0.0000 A 86 THR N N 15 116.2586 0.0000 A 87 LEU H H 1 8.2689 0.0000 A 87 LEU HA H 1 4.1517 0.0000 A 87 LEU HG H 1 2.1025 0.0000 A 87 LEU C C 13 176.7069 0.0000 A 87 LEU CA C 13 58.7324 0.0000 A 87 LEU CB C 13 41.4737 0.0000 A 87 LEU CDx C 13 24.0135 0.0000 A 87 LEU CG C 13 27.6645 0.0000 A 87 LEU N N 15 120.3178 0.0000 A 88 LYS H H 1 8.0970 0.0000 A 88 LYS HA H 1 3.7304 0.0000 A 88 LYS C C 13 177.0097 0.0000 A 88 LYS CA C 13 61.3784 0.0000 A 88 LYS CB C 13 33.2307 0.0000 A 88 LYS CD C 13 28.0390 0.0000 A 88 LYS CE C 13 44.2362 0.0000 A 88 LYS CG C 13 23.7854 0.0000 A 88 LYS N N 15 120.4671 0.0000 A 89 VAL H H 1 8.2103 0.0000 A 89 VAL HA H 1 3.6853 0.0000 A 89 VAL HB H 1 2.3124 0.0000 A 89 VAL HGx% H 1 1.2760 0.0000 A 89 VAL C C 13 175.1883 0.0000 A 89 VAL CA C 13 68.2724 0.0000 A 89 VAL CB C 13 31.6713 0.0000 A 89 VAL CGx C 13 22.8888 0.0000 A 89 VAL N N 15 119.4528 0.0000 A 90 PHE H H 1 8.2386 0.0000 A 90 PHE HA H 1 3.9253 0.0000 A 90 PHE C C 13 175.2380 0.0000 A 90 PHE CA C 13 62.2670 0.0000 A 90 PHE CB C 13 39.4244 0.0000 A 90 PHE N N 15 119.8845 0.0000 A 91 ALA H H 1 8.4262 0.0000 A 91 ALA HA H 1 3.7533 0.0000 A 91 ALA C C 13 175.3865 0.0000 A 91 ALA CA C 13 56.6218 0.0000 A 91 ALA CB C 13 19.6809 0.0000 A 91 ALA N N 15 118.6842 0.0000 A 92 VAL H H 1 8.1410 0.0000 A 92 VAL HA H 1 3.7098 0.0000 A 92 VAL HB H 1 2.1244 0.0000 A 92 VAL C C 13 173.5304 0.0000 A 92 VAL CA C 13 67.0976 0.0000 A 92 VAL CB C 13 34.3309 0.0000 A 92 VAL CGx C 13 23.5119 0.0000 A 92 VAL N N 15 113.7842 0.0000 A 93 ALA H H 1 8.6169 0.0000 A 93 ALA HA H 1 4.2979 0.0000 A 93 ALA C C 13 176.5263 0.0000 A 93 ALA CA C 13 53.5543 0.0000 A 93 ALA CB C 13 19.8650 0.0000 A 93 ALA N N 15 118.7012 0.0000 A 94 GLY H H 1 6.8836 0.0000 A 94 GLY HAy H 1 3.7830 0.0000 A 94 GLY HAx H 1 3.1906 0.0000 A 94 GLY C C 13 172.2483 0.0000 A 94 GLY CA C 13 47.5955 0.0000 A 94 GLY N N 15 104.2263 0.0000 A 95 LEU H H 1 7.9509 0.0000 A 95 LEU HA H 1 4.1600 0.0000 A 95 LEU HBy H 1 1.8397 0.0000 A 95 LEU HBx H 1 1.5487 0.0000 A 95 LEU HG H 1 1.2033 0.0000 A 95 LEU C C 13 177.6119 0.0000 A 95 LEU CA C 13 58.1009 0.0000 A 95 LEU CB C 13 41.2026 0.0000 A 95 LEU CG C 13 26.1833 0.0000 A 95 LEU N N 15 121.1741 0.0000 A 96 LEU H H 1 7.8113 0.0000 A 96 LEU HA H 1 4.3400 0.0000 A 96 LEU HBy H 1 2.3547 0.0000 A 96 LEU HBx H 1 1.5743 0.0000 A 96 LEU HG H 1 1.0125 0.0000 A 96 LEU C C 13 174.9704 0.0000 A 96 LEU CA C 13 55.6801 0.0000 A 96 LEU CB C 13 42.8540 0.0000 A 96 LEU CG C 13 27.6344 0.0000 A 96 LEU N N 15 115.8423 0.0000 A 97 ASN H H 1 6.7383 0.0000 A 97 ASN HA H 1 4.3013 0.0000 A 97 ASN HBy H 1 3.2401 0.0000 A 97 ASN HBx H 1 2.4624 0.0000 A 97 ASN HD2x H 1 6.4803 0.0000 A 97 ASN HD2y H 1 7.3589 0.0000 A 97 ASN C C 13 172.3470 0.0000 A 97 ASN CA C 13 54.5153 0.0000 A 97 ASN CB C 13 37.8781 0.0000 A 97 ASN N N 15 112.9666 0.0000 A 97 ASN ND2 N 15 108.2122 0.0000 A 98 MET H H 1 8.2171 0.0000 A 98 MET HA H 1 4.3963 0.0000 A 98 MET HBy H 1 2.5128 0.0000 A 98 MET HBx H 1 1.7983 0.0000 A 98 MET C C 13 176.5791 0.0000 A 98 MET CA C 13 55.3925 0.0000 A 98 MET CB C 13 32.4509 0.0000 A 98 MET CE C 13 18.2430 0.0000 A 98 MET CG C 13 32.9574 0.0000 A 98 MET N N 15 116.2264 0.0000 A 99 THR H H 1 8.5508 0.0000 A 99 THR HA H 1 4.7538 0.0000 A 99 THR HB H 1 4.1286 0.0000 A 99 THR C C 13 173.4304 0.0000 A 99 THR CA C 13 63.5311 0.0000 A 99 THR CB C 13 69.0973 0.0000 A 99 THR CG2 C 13 22.1114 0.0000 A 99 THR N N 15 118.6309 0.0000 A 100 VAL H H 1 7.9602 0.0000 A 100 VAL HA H 1 4.2302 0.0000 A 100 VAL HB H 1 2.1416 0.0000 A 100 VAL C C 13 173.2878 0.0000 A 100 VAL CA C 13 60.4460 0.0000 A 100 VAL CB C 13 35.3505 0.0000 A 100 VAL CGx C 13 22.2815 0.0000 A 100 VAL N N 15 121.3111 0.0000 A 101 SER H H 1 9.0267 0.0000 A 101 SER HA H 1 4.4160 0.0000 A 101 SER C C 13 173.9753 0.0000 A 101 SER CA C 13 60.4113 0.0000 A 101 SER CB C 13 64.9352 0.0000 A 101 SER N N 15 115.9556 0.0000 A 102 THR H H 1 7.2644 0.0000 A 102 THR HA H 1 5.5295 0.0000 A 102 THR HB H 1 4.6247 0.0000 A 102 THR C C 13 172.7536 0.0000 A 102 THR CA C 13 60.1328 0.0000 A 102 THR CB C 13 74.2489 0.0000 A 102 THR CG2 C 13 22.3924 0.0000 A 102 THR N N 15 109.6021 0.0000 A 103 ALA H H 1 8.4204 0.0000 A 103 ALA HA H 1 4.0408 0.0000 A 103 ALA C C 13 176.6709 0.0000 A 103 ALA CA C 13 55.7062 0.0000 A 103 ALA CB C 13 19.1386 0.0000 A 103 ALA N N 15 123.6338 0.0000 A 104 ALA H H 1 8.4927 0.0000 A 104 ALA HA H 1 4.2388 0.0000 A 104 ALA C C 13 178.6528 0.0000 A 104 ALA CA C 13 55.5534 0.0000 A 104 ALA CB C 13 18.9030 0.0000 A 104 ALA N N 15 119.4236 0.0000 A 105 ALA H H 1 8.0637 0.0000 A 105 ALA HA H 1 4.3351 0.0000 A 105 ALA C C 13 179.0599 0.0000 A 105 ALA CA C 13 55.4147 0.0000 A 105 ALA CB C 13 19.0326 0.0000 A 105 ALA N N 15 120.7565 0.0000 A 106 ALA H H 1 8.0740 0.0000 A 106 ALA HA H 1 4.1493 0.0000 A 106 ALA C C 13 176.7615 0.0000 A 106 ALA CA C 13 56.3700 0.0000 A 106 ALA CB C 13 19.5490 0.0000 A 106 ALA N N 15 121.3070 0.0000 A 107 GLU H H 1 8.7347 0.0000 A 107 GLU HA H 1 3.7928 0.0000 A 107 GLU C C 13 176.9624 0.0000 A 107 GLU CA C 13 61.1910 0.0000 A 107 GLU CB C 13 30.4413 0.0000 A 107 GLU CG C 13 37.6639 0.0000 A 107 GLU N N 15 118.1648 0.0000 A 108 ASN H H 1 8.1035 0.0000 A 108 ASN HA H 1 4.3287 0.0000 A 108 ASN HD2x H 1 6.9864 0.0000 A 108 ASN HD2y H 1 7.7199 0.0000 A 108 ASN C C 13 177.5881 0.0000 A 108 ASN CA C 13 57.0756 0.0000 A 108 ASN CB C 13 39.2335 0.0000 A 108 ASN N N 15 118.1087 0.0000 A 108 ASN ND2 N 15 112.3429 0.0000 A 109 MET H H 1 8.4595 0.0000 A 109 MET HA H 1 4.2292 0.0000 A 109 MET C C 13 174.9955 0.0000 A 109 MET CA C 13 59.1871 0.0000 A 109 MET CB C 13 39.3968 0.0000 A 109 MET CE C 13 17.7982 0.0000 A 109 MET CG C 13 32.9980 0.0000 A 109 MET N N 15 120.2074 0.0000 A 110 TYR H H 1 8.6582 0.0000 A 110 TYR HA H 1 3.6322 0.0000 A 110 TYR HBy H 1 3.4040 0.0000 A 110 TYR HBx H 1 3.0384 0.0000 A 110 TYR C C 13 174.8076 0.0000 A 110 TYR CA C 13 63.2137 0.0000 A 110 TYR CB C 13 39.5567 0.0000 A 110 TYR N N 15 120.4384 0.0000 A 111 SER H H 1 7.4760 0.0000 A 111 SER HA H 1 4.1288 0.0000 A 111 SER C C 13 177.2047 0.0000 A 111 SER CA C 13 61.9095 0.0000 A 111 SER CB C 13 63.9571 0.0000 A 111 SER N N 15 110.4464 0.0000 A 112 GLN H H 1 8.8393 0.0000 A 112 GLN HA H 1 4.1918 0.0000 A 112 GLN HE2x H 1 6.7901 0.0000 A 112 GLN HE2y H 1 7.4974 0.0000 A 112 GLN C C 13 176.4358 0.0000 A 112 GLN CA C 13 60.0463 0.0000 A 112 GLN CB C 13 29.0010 0.0000 A 112 GLN CG C 13 34.5271 0.0000 A 112 GLN N N 15 125.2119 0.0000 A 112 GLN NE2 N 15 111.2123 0.0000 A 113 MET H H 1 8.0910 0.0000 A 113 MET HA H 1 4.2770 0.0000 A 113 MET C C 13 173.9572 0.0000 A 113 MET CA C 13 57.1288 0.0000 A 113 MET CB C 13 34.5381 0.0000 A 113 MET CE C 13 17.8014 0.0000 A 113 MET CG C 13 33.4589 0.0000 A 113 MET N N 15 114.6621 0.0000 A 114 GLY H H 1 8.0220 0.0000 A 114 GLY C C 13 173.9753 0.0000 A 114 GLY CA C 13 46.6347 0.0000 A 114 GLY N N 15 107.4225 0.0000 A 115 LEU H H 1 7.4557 0.0000 A 115 LEU HA H 1 4.0069 0.0000 A 115 LEU HBx H 1 0.5524 0.0000 A 115 LEU HG H 1 1.2831 0.0000 A 115 LEU C C 13 175.2780 0.0000 A 115 LEU CA C 13 56.0460 0.0000 A 115 LEU CB C 13 39.1098 0.0000 A 115 LEU CDx C 13 25.7674 0.0000 A 115 LEU CG C 13 26.2526 0.0000 A 115 LEU N N 15 114.6115 0.0000 A 116 ASP H H 1 8.4992 0.0000 A 116 ASP C C 13 173.8487 0.0000 A 116 ASP CA C 13 55.7397 0.0000 A 116 ASP CB C 13 40.8149 0.0000 A 116 ASP N N 15 116.7401 0.0000 A 117 THR H H 1 7.3524 0.0000 A 117 THR HA H 1 4.2810 0.0000 A 117 THR HB H 1 4.0809 0.0000 A 117 THR C C 13 171.7218 0.0000 A 117 THR CA C 13 62.1193 0.0000 A 117 THR CB C 13 70.9240 0.0000 A 117 THR CG2 C 13 22.0502 0.0000 A 117 THR N N 15 112.0079 0.0000 A 118 ARG H H 1 8.6935 0.0000 A 118 ARG C C 13 175.0627 0.0000 A 118 ARG CA C 13 55.7716 0.0000 A 118 ARG CB C 13 30.6252 0.0000 A 118 ARG CD C 13 42.4405 0.0000 A 118 ARG CG C 13 25.4615 0.0000 A 118 ARG N N 15 125.2351 0.0000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 5 LYS HA A 6 SER H 1.0 . 2.7 2 2 A 6 SER H A 7 ARG H 1.0 . 2.8 3 3 A 7 ARG H A 8 ASP H 1.0 . 2.8 4 4 A 8 ASP H A 9 TRP H 1.0 . 2.8 5 5 A 9 TRP H A 10 LYS H 1.0 . 2.8 6 6 A 10 LYS H A 11 MET H 1.0 . 2.8 7 7 A 11 MET H A 12 ALA H 1.0 . 2.8 8 8 A 12 ALA H A 13 ILE H 1.0 . 2.8 9 9 A 13 ILE H A 14 LYS H 1.0 . 2.8 10 10 A 14 LYS H A 15 ARG H 1.0 . 2.8 11 11 A 15 ARG H A 16 CYS H 1.0 . 2.8 12 12 A 16 CYS H A 17 SER H 1.0 . 2.8 13 13 A 17 SER H A 18 ASN H 1.0 . 2.8 14 14 A 18 ASN H A 19 VAL H 1.0 . 2.8 15 15 A 6 SER H A 8 ASP H 1.0 . 5.0 16 16 A 7 ARG H A 9 TRP H 1.0 . 5.0 17 17 A 8 ASP H A 10 LYS H 1.0 . 5.0 18 18 A 9 TRP H A 11 MET H 1.0 . 5.0 19 19 A 10 LYS H A 12 ALA H 1.0 . 5.0 20 20 A 11 MET H A 13 ILE H 1.0 . 5.0 21 21 A 12 ALA H A 14 LYS H 1.0 . 5.0 22 22 A 13 ILE H A 15 ARG H 1.0 . 5.0 23 23 A 14 LYS H A 16 CYS H 1.0 . 5.0 24 24 A 15 ARG H A 17 SER H 1.0 . 5.0 25 25 A 6 SER H A 9 TRP H 1.0 . 5.0 26 26 A 7 ARG H A 10 LYS H 1.0 . 5.0 27 27 A 8 ASP H A 11 MET H 1.0 . 5.0 28 28 A 9 TRP H A 12 ALA H 1.0 . 5.0 29 29 A 10 LYS H A 13 ILE H 1.0 . 5.0 30 30 A 11 MET H A 14 LYS H 1.0 . 5.0 31 31 A 12 ALA H A 15 ARG H 1.0 . 5.0 32 32 A 13 ILE H A 16 CYS H 1.0 . 5.0 33 33 A 14 LYS H A 17 SER H 1.0 . 5.0 34 34 A 10 LYS H A 6 SER HA 1.0 . 5.0 35 35 A 11 MET H A 7 ARG HA 1.0 . 5.0 36 36 A 12 ALA H A 8 ASP HA 1.0 . 5.0 37 37 A 13 ILE H A 9 TRP HA 1.0 . 5.0 38 38 A 14 LYS H A 10 LYS HA 1.0 . 5.0 39 39 A 15 ARG H A 11 MET HA 1.0 . 5.0 40 40 A 16 CYS H A 12 ALA HA 1.0 . 5.0 41 41 A 17 SER H A 13 ILE HA 1.0 . 5.0 42 42 A 6 SER HA A 9 TRP HBx 1.0 . 5.8 43 42 A 6 SER HA A 9 TRP HBy 1.0 . 5.8 44 43 A 7 ARG HA A 10 LYS HBy 1.0 . 5.8 45 43 A 7 ARG HA A 10 LYS HBx 1.0 . 5.8 46 44 A 8 ASP HA A 11 MET HBx 1.0 . 5.8 47 44 A 8 ASP HA A 11 MET HBy 1.0 . 5.8 48 45 A 9 TRP HA A 12 ALA HB1 1.0 . 5.5 49 46 A 11 MET HA A 14 LYS HBx 1.0 . 5.8 50 46 A 11 MET HA A 14 LYS HBy 1.0 . 5.8 51 47 A 12 ALA HA A 15 ARG HBx 1.0 . 5.8 52 47 A 12 ALA HA A 15 ARG HBy 1.0 . 5.8 53 48 A 14 LYS HA A 17 SER HBx 1.0 . 5.8 54 48 A 14 LYS HA A 17 SER HBy 1.0 . 5.8 55 49 A 19 VAL HA A 20 ALA H 1.0 . 2.7 56 50 A 20 ALA HA A 21 VAL H 1.0 . 2.7 57 51 A 21 VAL H A 22 GLY H 1.0 . 2.7 58 52 A 22 GLY HAx A 23 VAL H 1.0 . 2.7 59 53 A 23 VAL H A 22 GLY HAy 1.0 . 2.7 60 54 A 23 VAL H A 24 GLY H 1.0 . 2.7 61 55 A 28 LYS HA A 29 LYS H 1.0 . 2.7 62 56 A 29 LYS HA A 30 PHE H 1.0 . 2.7 63 57 A 30 PHE HA A 31 GLY H 1.0 . 2.7 64 58 A 31 GLY HAx A 32 GLU H 1.0 . 2.7 65 59 A 32 GLU H A 31 GLY HAy 1.0 . 2.7 66 60 A 32 GLU H A 33 GLY H 1.0 . 2.8 67 61 A 33 GLY H A 34 ASN H 1.0 . 2.8 68 62 A 34 ASN H A 35 PHE H 1.0 . 2.8 69 63 A 35 PHE H A 36 ARG H 1.0 . 2.8 70 64 A 36 ARG H A 37 TRP H 1.0 . 2.8 71 65 A 37 TRP H A 38 ALA H 1.0 . 2.8 72 66 A 38 ALA H A 39 ILE H 1.0 . 2.8 73 67 A 39 ILE H A 40 ARG H 1.0 . 2.8 74 68 A 40 ARG H A 41 MET H 1.0 . 2.8 75 69 A 41 MET H A 42 ALA H 1.0 . 2.8 76 70 A 42 ALA H A 43 ASN H 1.0 . 2.8 77 71 A 43 ASN H A 44 VAL H 1.0 . 2.8 78 72 A 44 VAL H A 45 SER H 1.0 . 2.8 79 73 A 45 SER H A 46 THR H 1.0 . 2.8 80 74 A 46 THR H A 47 GLY H 1.0 . 3.3 81 75 A 47 GLY H A 48 ARG H 1.0 . 3.3 82 76 A 34 ASN H A 36 ARG H 1.0 . 5.0 83 77 A 35 PHE H A 37 TRP H 1.0 . 5.0 84 78 A 36 ARG H A 38 ALA H 1.0 . 5.0 85 79 A 37 TRP H A 39 ILE H 1.0 . 5.0 86 80 A 38 ALA H A 40 ARG H 1.0 . 5.0 87 81 A 39 ILE H A 41 MET H 1.0 . 5.0 88 82 A 40 ARG H A 42 ALA H 1.0 . 5.0 89 83 A 41 MET H A 43 ASN H 1.0 . 5.0 90 84 A 42 ALA H A 44 VAL H 1.0 . 5.0 91 85 A 43 ASN H A 45 SER H 1.0 . 5.0 92 86 A 44 VAL H A 46 THR H 1.0 . 5.0 93 87 A 32 GLU H A 35 PHE H 1.0 . 5.0 94 88 A 34 ASN H A 37 TRP H 1.0 . 5.0 95 89 A 35 PHE H A 38 ALA H 1.0 . 5.0 96 90 A 36 ARG H A 39 ILE H 1.0 . 5.0 97 91 A 37 TRP H A 40 ARG H 1.0 . 5.0 98 92 A 38 ALA H A 41 MET H 1.0 . 5.0 99 93 A 39 ILE H A 42 ALA H 1.0 . 5.0 100 94 A 40 ARG H A 43 ASN H 1.0 . 5.0 101 95 A 41 MET H A 44 VAL H 1.0 . 5.0 102 96 A 42 ALA H A 45 SER H 1.0 . 5.0 103 97 A 43 ASN H A 46 THR H 1.0 . 5.0 104 98 A 36 ARG H A 32 GLU HA 1.0 . 5.0 105 99 A 39 ILE H A 35 PHE HA 1.0 . 5.0 106 100 A 41 MET H A 37 TRP HA 1.0 . 5.0 107 101 A 42 ALA H A 38 ALA HA 1.0 . 5.0 108 102 A 43 ASN H A 39 ILE HA 1.0 . 5.0 109 103 A 44 VAL H A 40 ARG HA 1.0 . 5.0 110 104 A 45 SER H A 41 MET HA 1.0 . 5.0 111 105 A 46 THR H A 42 ALA HA 1.0 . 5.0 112 106 A 35 PHE HA A 38 ALA HB1 1.0 . 5.5 113 107 A 37 TRP HA A 40 ARG HBx 1.0 . 5.8 114 107 A 37 TRP HA A 40 ARG HBy 1.0 . 5.8 115 108 A 38 ALA HA A 41 MET HBx 1.0 . 5.8 116 108 A 38 ALA HA A 41 MET HBy 1.0 . 5.8 117 109 A 39 ILE HA A 42 ALA HB1 1.0 . 5.5 118 110 A 40 ARG HA A 43 ASN HBy 1.0 . 5.8 119 110 A 40 ARG HA A 43 ASN HBx 1.0 . 5.8 120 111 A 42 ALA HA A 45 SER HBx 1.0 . 5.8 121 111 A 42 ALA HA A 45 SER HBy 1.0 . 5.8 122 112 A 43 ASN HA A 48 ARG HBx 1.0 . 5.8 123 112 A 43 ASN HA A 48 ARG HBy 1.0 . 5.8 124 113 A 48 ARG HA A 49 GLU H 1.0 . 2.7 125 114 A 51 GLY H A 50 PRO HDx 1.0 . 4.1 126 114 A 50 PRO HDy A 51 GLY H 1.0 . 4.1 127 115 A 51 GLY H A 50 PRO HBx 1.0 . 4.1 128 115 A 51 GLY H A 50 PRO HBy 1.0 . 4.1 129 116 A 51 GLY H A 52 ASP H 1.0 . 5.0 130 117 A 52 ASP H A 53 ILE H 1.0 . 5.0 131 118 A 55 GLU H A 56 THR H 1.0 . 5.0 132 119 A 56 THR HA A 57 LEU H 1.0 . 2.7 133 120 A 56 THR H A 60 LEU H 1.0 . 5.0 134 121 A 57 LEU H A 58 ASP H 1.0 . 2.8 135 122 A 58 ASP H A 59 GLN H 1.0 . 2.8 136 123 A 60 LEU H A 59 GLN H 1.0 . 2.8 137 124 A 60 LEU H A 61 ARG H 1.0 . 2.8 138 125 A 61 ARG H A 62 LEU H 1.0 . 2.8 139 126 A 62 LEU H A 63 VAL H 1.0 . 2.8 140 127 A 63 VAL H A 64 ILE H 1.0 . 2.8 141 128 A 64 ILE H A 65 CYS H 1.0 . 2.8 142 129 A 65 CYS H A 66 ASP H 1.0 . 2.8 143 130 A 66 ASP H A 67 LEU H 1.0 . 2.8 144 131 A 67 LEU H A 68 GLN H 1.0 . 2.8 145 132 A 68 GLN H A 69 GLU H 1.0 . 2.8 146 133 A 69 GLU H A 70 ARG H 1.0 . 2.8 147 134 A 70 ARG H A 71 ARG H 1.0 . 2.8 148 135 A 71 ARG H A 72 GLU H 1.0 . 2.8 149 136 A 72 GLU H A 73 LYS H 1.0 . 2.8 150 137 A 73 LYS H A 74 PHE H 1.0 . 2.8 151 138 A 56 THR H A 58 ASP H 1.0 . 5.0 152 139 A 57 LEU H A 59 GLN H 1.0 . 5.0 153 140 A 60 LEU H A 58 ASP H 1.0 . 5.0 154 141 A 59 GLN H A 61 ARG H 1.0 . 5.0 155 142 A 60 LEU H A 62 LEU H 1.0 . 5.0 156 143 A 61 ARG H A 63 VAL H 1.0 . 5.0 157 144 A 62 LEU H A 64 ILE H 1.0 . 5.0 158 145 A 63 VAL H A 65 CYS H 1.0 . 5.0 159 146 A 64 ILE H A 66 ASP H 1.0 . 5.0 160 147 A 65 CYS H A 67 LEU H 1.0 . 5.0 161 148 A 66 ASP H A 68 GLN H 1.0 . 5.0 162 149 A 67 LEU H A 69 GLU H 1.0 . 5.0 163 150 A 68 GLN H A 70 ARG H 1.0 . 5.0 164 151 A 69 GLU H A 71 ARG H 1.0 . 5.0 165 152 A 70 ARG H A 72 GLU H 1.0 . 5.0 166 153 A 71 ARG H A 73 LYS H 1.0 . 5.0 167 154 A 72 GLU H A 74 PHE H 1.0 . 5.0 168 155 A 73 LYS H A 75 GLY H 1.0 . 5.0 169 156 A 56 THR H A 59 GLN H 1.0 . 5.0 170 157 A 57 LEU H A 60 LEU H 1.0 . 5.0 171 158 A 58 ASP H A 61 ARG H 1.0 . 5.0 172 159 A 59 GLN H A 62 LEU H 1.0 . 5.0 173 160 A 60 LEU H A 63 VAL H 1.0 . 5.0 174 161 A 61 ARG H A 64 ILE H 1.0 . 5.0 175 162 A 62 LEU H A 65 CYS H 1.0 . 5.0 176 163 A 63 VAL H A 66 ASP H 1.0 . 5.0 177 164 A 64 ILE H A 67 LEU H 1.0 . 5.0 178 165 A 65 CYS H A 68 GLN H 1.0 . 5.0 179 166 A 66 ASP H A 69 GLU H 1.0 . 5.0 180 167 A 67 LEU H A 70 ARG H 1.0 . 5.0 181 168 A 68 GLN H A 71 ARG H 1.0 . 5.0 182 169 A 69 GLU H A 72 GLU H 1.0 . 5.0 183 170 A 70 ARG H A 73 LYS H 1.0 . 5.0 184 171 A 61 ARG H A 57 LEU HA 1.0 . 5.0 185 172 A 62 LEU H A 58 ASP HA 1.0 . 5.0 186 173 A 63 VAL H A 59 GLN HA 1.0 . 5.0 187 174 A 64 ILE H A 60 LEU HA 1.0 . 5.0 188 175 A 65 CYS H A 61 ARG HA 1.0 . 5.0 189 176 A 66 ASP H A 62 LEU HA 1.0 . 5.0 190 177 A 66 ASP H A 62 LEU HD11 1.0 . 5.0 191 178 A 67 LEU H A 63 VAL HA 1.0 . 5.0 192 179 A 68 GLN H A 64 ILE HA 1.0 . 5.0 193 180 A 69 GLU H A 65 CYS HA 1.0 . 5.0 194 181 A 71 ARG H A 67 LEU HA 1.0 . 5.0 195 182 A 72 GLU H A 68 GLN HA 1.0 . 5.5 196 183 A 73 LYS H A 69 GLU HA 1.0 . 5.0 197 184 A 57 LEU HA A 60 LEU HBy 1.0 . 5.8 198 184 A 57 LEU HA A 60 LEU HBx 1.0 . 5.8 199 185 A 58 ASP HA A 61 ARG HBx 1.0 . 5.8 200 185 A 58 ASP HA A 61 ARG HBy 1.0 . 5.8 201 186 A 59 GLN HA A 62 LEU HBx 1.0 . 5.8 202 186 A 59 GLN HA A 62 LEU HBy 1.0 . 5.8 203 187 A 60 LEU HA A 63 VAL HB 1.0 . 5.0 204 188 A 63 VAL HA A 66 ASP HBx 1.0 . 5.8 205 188 A 63 VAL HA A 66 ASP HBy 1.0 . 5.8 206 189 A 64 ILE HA A 67 LEU HBx 1.0 . 5.8 207 189 A 64 ILE HA A 67 LEU HBy 1.0 . 5.8 208 190 A 65 CYS HA A 68 GLN HBx 1.0 . 5.8 209 190 A 65 CYS HA A 68 GLN HBy 1.0 . 5.8 210 191 A 66 ASP HA A 69 GLU HBx 1.0 . 5.8 211 191 A 66 ASP HA A 69 GLU HBy 1.0 . 5.8 212 192 A 67 LEU HA A 70 ARG HBx 1.0 . 5.8 213 192 A 67 LEU HA A 70 ARG HBy 1.0 . 5.8 214 193 A 68 GLN HA A 71 ARG HBx 1.0 . 5.8 215 193 A 68 GLN HA A 71 ARG HBy 1.0 . 5.8 216 194 A 69 GLU HA A 72 GLU HBx 1.0 . 5.8 217 194 A 69 GLU HA A 72 GLU HBy 1.0 . 5.8 218 195 A 75 GLY HAy A 76 SER H 1.0 . 2.7 219 196 A 76 SER H A 75 GLY HAx 1.0 . 2.7 220 197 A 76 SER HA A 77 SER H 1.0 . 2.7 221 198 A 77 SER H A 81 ASP H 1.0 . 5.0 222 199 A 77 SER HA A 78 LYS H 1.0 . 2.7 223 200 A 78 LYS H A 79 GLU H 1.0 . 2.8 224 201 A 79 GLU H A 80 ILE H 1.0 . 2.8 225 202 A 81 ASP H A 80 ILE H 1.0 . 2.8 226 203 A 81 ASP H A 82 MET H 1.0 . 2.8 227 204 A 82 MET H A 83 ALA H 1.0 . 2.8 228 205 A 83 ALA H A 84 ILE H 1.0 . 2.8 229 206 A 84 ILE H A 85 VAL H 1.0 . 2.8 230 207 A 85 VAL H A 86 THR H 1.0 . 2.8 231 208 A 86 THR H A 87 LEU H 1.0 . 2.8 232 209 A 87 LEU H A 88 LYS H 1.0 . 2.8 233 210 A 88 LYS H A 89 VAL H 1.0 . 2.8 234 211 A 89 VAL H A 90 PHE H 1.0 . 2.8 235 212 A 90 PHE H A 91 ALA H 1.0 . 2.8 236 213 A 91 ALA H A 92 VAL H 1.0 . 2.8 237 214 A 92 VAL H A 93 ALA H 1.0 . 2.8 238 215 A 93 ALA H A 94 GLY H 1.0 . 2.8 239 216 A 94 GLY H A 95 LEU H 1.0 . 2.8 240 217 A 95 LEU H A 96 LEU H 1.0 . 2.8 241 218 A 96 LEU H A 97 ASN H 1.0 . 2.8 242 219 A 97 ASN H A 98 MET H 1.0 . 2.8 243 220 A 77 SER H A 79 GLU H 1.0 . 5.0 244 221 A 78 LYS H A 80 ILE H 1.0 . 5.0 245 222 A 81 ASP H A 79 GLU H 1.0 . 5.0 246 223 A 80 ILE H A 82 MET H 1.0 . 5.0 247 224 A 81 ASP H A 83 ALA H 1.0 . 5.0 248 225 A 82 MET H A 84 ILE H 1.0 . 5.0 249 226 A 83 ALA H A 85 VAL H 1.0 . 5.0 250 227 A 84 ILE H A 86 THR H 1.0 . 5.0 251 228 A 85 VAL H A 87 LEU H 1.0 . 5.0 252 229 A 86 THR H A 88 LYS H 1.0 . 5.0 253 230 A 87 LEU H A 89 VAL H 1.0 . 5.0 254 231 A 88 LYS H A 90 PHE H 1.0 . 5.0 255 232 A 89 VAL H A 91 ALA H 1.0 . 5.0 256 233 A 90 PHE H A 92 VAL H 1.0 . 5.0 257 234 A 91 ALA H A 93 ALA H 1.0 . 5.0 258 235 A 92 VAL H A 94 GLY H 1.0 . 5.0 259 236 A 93 ALA H A 95 LEU H 1.0 . 5.0 260 237 A 79 GLU H A 82 MET H 1.0 . 5.0 261 238 A 80 ILE H A 83 ALA H 1.0 . 5.0 262 239 A 81 ASP H A 84 ILE H 1.0 . 5.0 263 240 A 82 MET H A 85 VAL H 1.0 . 5.0 264 241 A 83 ALA H A 86 THR H 1.0 . 5.0 265 242 A 84 ILE H A 87 LEU H 1.0 . 5.0 266 243 A 85 VAL H A 88 LYS H 1.0 . 5.0 267 244 A 86 THR H A 89 VAL H 1.0 . 5.0 268 245 A 87 LEU H A 90 PHE H 1.0 . 5.0 269 246 A 88 LYS H A 91 ALA H 1.0 . 5.0 270 247 A 89 VAL H A 92 VAL H 1.0 . 5.0 271 248 A 90 PHE H A 93 ALA H 1.0 . 5.0 272 249 A 91 ALA H A 94 GLY H 1.0 . 5.0 273 250 A 92 VAL H A 95 LEU H 1.0 . 5.0 274 251 A 82 MET H A 78 LYS HA 1.0 . 5.0 275 252 A 84 ILE H A 80 ILE HA 1.0 . 5.0 276 253 A 86 THR H A 82 MET HA 1.0 . 5.0 277 254 A 87 LEU H A 83 ALA HA 1.0 . 5.0 278 255 A 88 LYS H A 84 ILE HA 1.0 . 5.0 279 256 A 89 VAL H A 85 VAL HA 1.0 . 5.0 280 257 A 90 PHE H A 86 THR HA 1.0 . 5.0 281 258 A 91 ALA H A 87 LEU HA 1.0 . 5.0 282 259 A 92 VAL H A 88 LYS HA 1.0 . 5.0 283 260 A 93 ALA H A 89 VAL HA 1.0 . 5.0 284 261 A 94 GLY H A 90 PHE HA 1.0 . 5.0 285 262 A 95 LEU H A 91 ALA HA 1.0 . 5.0 286 263 A 78 LYS HA A 81 ASP HBx 1.0 . 5.8 287 263 A 78 LYS HA A 81 ASP HBy 1.0 . 5.8 288 264 A 79 GLU HA A 82 MET HBx 1.0 . 5.8 289 264 A 79 GLU HA A 82 MET HBy 1.0 . 5.8 290 265 A 80 ILE HA A 83 ALA HB1 1.0 . 5.5 291 266 A 82 MET HA A 85 VAL HB 1.0 . 5.0 292 267 A 85 VAL HA A 88 LYS HBx 1.0 . 5.8 293 267 A 85 VAL HA A 88 LYS HBy 1.0 . 5.8 294 268 A 86 THR HA A 89 VAL HB 1.0 . 5.0 295 269 A 87 LEU HA A 90 PHE HBx 1.0 . 5.8 296 269 A 87 LEU HA A 90 PHE HBy 1.0 . 5.8 297 270 A 88 LYS HA A 91 ALA HB1 1.0 . 5.5 298 271 A 89 VAL HA A 92 VAL HB 1.0 . 5.0 299 272 A 90 PHE HA A 93 ALA HB1 1.0 . 5.5 300 273 A 101 SER H A 102 THR H 1.0 . 2.7 301 274 A 101 SER H A 102 THR H 1.0 . 2.7 302 275 A 102 THR H A 106 ALA H 1.0 . 5.0 303 276 A 102 THR HA A 103 ALA H 1.0 . 2.7 304 277 A 103 ALA H A 104 ALA H 1.0 . 2.8 305 278 A 104 ALA H A 105 ALA H 1.0 . 2.8 306 279 A 106 ALA H A 105 ALA H 1.0 . 2.8 307 280 A 106 ALA H A 107 GLU H 1.0 . 2.8 308 281 A 107 GLU H A 108 ASN H 1.0 . 2.8 309 282 A 108 ASN H A 109 MET H 1.0 . 2.8 310 283 A 109 MET H A 110 TYR H 1.0 . 2.8 311 284 A 110 TYR H A 111 SER H 1.0 . 2.8 312 285 A 111 SER H A 112 GLN H 1.0 . 2.8 313 286 A 112 GLN H A 113 MET H 1.0 . 2.8 314 287 A 113 MET H A 114 GLY H 1.0 . 2.8 315 288 A 114 GLY H A 115 LEU H 1.0 . 2.8 316 289 A 115 LEU H A 116 ASP H 1.0 . 2.8 317 290 A 102 THR H A 104 ALA H 1.0 . 5.0 318 291 A 103 ALA H A 105 ALA H 1.0 . 5.0 319 292 A 106 ALA H A 104 ALA H 1.0 . 5.0 320 293 A 105 ALA H A 107 GLU H 1.0 . 5.0 321 294 A 106 ALA H A 108 ASN H 1.0 . 5.0 322 295 A 107 GLU H A 109 MET H 1.0 . 5.0 323 296 A 108 ASN H A 110 TYR H 1.0 . 5.0 324 297 A 109 MET H A 111 SER H 1.0 . 5.0 325 298 A 110 TYR H A 112 GLN H 1.0 . 5.0 326 299 A 111 SER H A 113 MET H 1.0 . 5.0 327 300 A 112 GLN H A 114 GLY H 1.0 . 5.0 328 301 A 113 MET H A 115 LEU H 1.0 . 5.0 329 302 A 114 GLY H A 116 ASP H 1.0 . 5.0 330 303 A 102 THR H A 105 ALA H 1.0 . 5.0 331 304 A 106 ALA H A 103 ALA H 1.0 . 5.0 332 305 A 104 ALA H A 107 GLU H 1.0 . 5.0 333 306 A 105 ALA H A 108 ASN H 1.0 . 5.0 334 307 A 106 ALA H A 109 MET H 1.0 . 5.0 335 308 A 107 GLU H A 110 TYR H 1.0 . 5.0 336 309 A 108 ASN H A 111 SER H 1.0 . 5.0 337 310 A 109 MET H A 112 GLN H 1.0 . 5.0 338 311 A 110 TYR H A 113 MET H 1.0 . 5.0 339 312 A 111 SER H A 114 GLY H 1.0 . 5.0 340 313 A 112 GLN H A 115 LEU H 1.0 . 5.0 341 314 A 113 MET H A 116 ASP H 1.0 . 5.0 342 315 A 107 GLU H A 103 ALA HA 1.0 . 5.0 343 316 A 108 ASN H A 104 ALA HA 1.0 . 5.0 344 317 A 108 ASN H A 104 ALA HB1 1.0 . 5.5 345 318 A 109 MET H A 105 ALA HA 1.0 . 5.0 346 319 A 110 TYR H A 106 ALA HA 1.0 . 5.0 347 320 A 111 SER H A 107 GLU HA 1.0 . 5.0 348 321 A 112 GLN H A 108 ASN HA 1.0 . 5.0 349 322 A 113 MET H A 109 MET HA 1.0 . 5.0 350 323 A 103 ALA HA A 106 ALA HB1 1.0 . 5.5 351 324 A 104 ALA HA A 107 GLU HBx 1.0 . 5.8 352 324 A 104 ALA HA A 107 GLU HBy 1.0 . 5.8 353 325 A 105 ALA HA A 108 ASN HBx 1.0 . 5.8 354 325 A 105 ALA HA A 108 ASN HBy 1.0 . 5.8 355 326 A 106 ALA HA A 109 MET HBx 1.0 . 5.8 356 326 A 106 ALA HA A 109 MET HBy 1.0 . 5.8 357 327 A 109 MET HA A 112 GLN HBx 1.0 . 5.8 358 327 A 109 MET HA A 112 GLN HBy 1.0 . 5.8 359 328 A 110 TYR HA A 113 MET HBx 1.0 . 5.8 360 328 A 110 TYR HA A 113 MET HBy 1.0 . 5.8 361 329 A 9 TRP HZ3 A 53 ILE HG21 1.0 . 3.8 362 330 A 9 TRP HZ3 A 90 PHE HE% 1.0 . 3.3 363 331 A 12 ALA HA A 94 GLY HAy 1.0 . 4.6 364 331 A 12 ALA HA A 94 GLY HAx 1.0 . 4.6 365 332 A 12 ALA HB1 A 94 GLY HAy 1.0 . 4.1 366 332 A 12 ALA HB1 A 94 GLY HAx 1.0 . 4.1 367 333 A 12 ALA HB1 A 95 LEU HD11 1.0 . 7.0 368 333 A 12 ALA HB1 A 95 LEU HD21 1.0 . 7.0 369 334 A 53 ILE HD1% A 13 ILE HG1x 1.0 . 6.3 370 334 A 13 ILE HG1y A 53 ILE HD1% 1.0 . 6.3 371 335 A 16 CYS HA A 89 VAL HGx% 1.0 . 6.5 372 335 A 16 CYS HA A 89 VAL HG21 1.0 . 6.5 373 336 A 93 ALA HB1 A 16 CYS HA 1.0 . 5.5 374 337 A 30 PHE HD% A 19 VAL HG11 1.0 . 8.8 375 337 A 19 VAL HG21 A 30 PHE HD% 1.0 . 8.8 376 338 A 19 VAL HG11 A 89 VAL HGx% 1.0 . 8.0 377 338 A 19 VAL HG21 A 89 VAL HGx% 1.0 . 8.0 378 338 A 89 VAL HG21 A 19 VAL HG11 1.0 . 8.0 379 338 A 89 VAL HG21 A 19 VAL HG21 1.0 . 8.0 380 339 A 93 ALA HB1 A 19 VAL HG11 1.0 . 7.0 381 339 A 93 ALA HB1 A 19 VAL HG21 1.0 . 7.0 382 340 A 19 VAL HG11 A 100 VAL HG11 1.0 . 8.0 383 340 A 19 VAL HG21 A 100 VAL HG11 1.0 . 8.0 384 340 A 100 VAL HG21 A 19 VAL HG11 1.0 . 8.0 385 340 A 19 VAL HG21 A 100 VAL HG21 1.0 . 8.0 386 341 A 19 VAL HA A 101 SER HA 1.0 . 5.0 387 342 A 102 THR CA A 19 VAL HG11 1.0 . 6.5 388 342 A 19 VAL HG21 A 102 THR CA 1.0 . 6.5 389 343 A 103 ALA CB A 19 VAL HG11 1.0 . 6.0 390 343 A 19 VAL HG21 A 103 ALA CB 1.0 . 6.0 391 344 A 20 ALA H A 102 THR HA 1.0 . 2.7 392 345 A 102 THR HA A 20 ALA HB1 1.0 . 3.8 393 346 A 20 ALA HB1 A 102 THR HG21 1.0 . 3.8 394 347 A 21 VAL H A 21 VAL HG11 1.0 . 3.2 395 347 A 21 VAL H A 21 VAL HG21 1.0 . 3.2 396 348 A 30 PHE HD% A 35 PHE HD% 1.0 . 6.9 397 349 A 30 PHE HD% A 86 THR HG2% 1.0 . 6.1 398 350 A 30 PHE HE% A 103 ALA HB1 1.0 . 5.6 399 351 A 35 PHE HD% A 90 PHE HD% 1.0 . 5.0 400 352 A 90 PHE HE% A 35 PHE HD% 1.0 . 5.0 401 353 A 53 ILE HD1% A 36 ARG HGx 1.0 . 6.3 402 353 A 53 ILE HD1% A 36 ARG HGy 1.0 . 6.3 403 354 A 38 ALA H A 37 TRP HE3 1.0 . 3.3 404 355 A 38 ALA H A 37 TRP HZ3 1.0 . 5.0 405 356 A 83 ALA H A 37 TRP HZ3 1.0 . 3.3 406 357 A 83 ALA H A 37 TRP HH2 1.0 . 3.3 407 358 A 83 ALA HA A 37 TRP HZ3 1.0 . 3.3 408 359 A 79 GLU HA A 37 TRP HH2 1.0 . 5.0 409 360 A 38 ALA HA A 83 ALA HA 1.0 . 5.0 410 361 A 38 ALA HA A 83 ALA HB1 1.0 . 5.5 411 362 A 38 ALA HB1 A 86 THR HA 1.0 . 5.5 412 363 A 38 ALA HB1 A 86 THR HG2% 1.0 . 4.3 413 364 A 39 ILE HD11 A 53 ILE HA 1.0 . 5.5 414 365 A 39 ILE HA A 87 LEU HD11 1.0 . 5.5 415 365 A 39 ILE HA A 87 LEU HD21 1.0 . 5.5 416 366 A 40 ARG HA A 53 ILE HD1% 1.0 . 6.3 417 367 A 45 SER HBy A 70 ARG HDx 1.0 . 5.8 418 367 A 45 SER HBx A 70 ARG HDx 1.0 . 5.8 419 367 A 70 ARG HDy A 45 SER HBx 1.0 . 5.8 420 367 A 45 SER HBy A 70 ARG HDy 1.0 . 5.8 421 368 A 46 THR HA A 46 THR HB 1.0 . 2.7 422 369 A 46 THR HG2% A 63 VAL HG11 1.0 . 7.0 423 369 A 46 THR HG2% A 63 VAL HG21 1.0 . 7.0 424 370 A 46 THR HG2% A 66 ASP HBx 1.0 . 6.3 425 370 A 66 ASP HBy A 46 THR HG2% 1.0 . 6.3 426 371 A 67 LEU HA A 46 THR HG2% 1.0 . 3.8 427 372 A 48 ARG HDy A 63 VAL HG11 1.0 . 6.3 428 372 A 48 ARG HDx A 63 VAL HG11 1.0 . 6.3 429 372 A 63 VAL HG21 A 48 ARG HDx 1.0 . 6.3 430 372 A 63 VAL HG21 A 48 ARG HDy 1.0 . 6.3 431 373 A 55 GLU H A 59 GLN HBx 1.0 . 5.8 432 373 A 55 GLU H A 59 GLN HBy 1.0 . 5.8 433 374 A 59 GLN NE2 A 55 GLU HBx 1.0 . 5.8 434 374 A 55 GLU HBy A 59 GLN NE2 1.0 . 5.8 435 375 A 91 ALA HB1 A 57 LEU HD11 1.0 . 7.0 436 375 A 91 ALA HB1 A 57 LEU HD21 1.0 . 7.0 437 376 A 57 LEU HD21 A 95 LEU HD11 1.0 . 7.0 438 376 A 57 LEU HD11 A 95 LEU HD11 1.0 . 7.0 439 376 A 95 LEU HD21 A 57 LEU HD11 1.0 . 7.0 440 376 A 95 LEU HD21 A 57 LEU HD21 1.0 . 7.0 441 377 A 57 LEU HD21 A 115 LEU HD21 1.0 . 7.0 442 377 A 115 LEU HD21 A 57 LEU HD11 1.0 . 7.0 443 378 A 90 PHE HD% A 60 LEU HD11 1.0 . 6.5 444 378 A 90 PHE HD% A 60 LEU HD21 1.0 . 6.5 445 379 A 91 ALA HA A 60 LEU HD11 1.0 . 6.5 446 379 A 91 ALA HA A 60 LEU HD21 1.0 . 6.5 447 380 A 91 ALA HB1 A 60 LEU HD11 1.0 . 7.0 448 380 A 91 ALA HB1 A 60 LEU HD21 1.0 . 7.0 449 381 A 60 LEU H A 91 ALA HB1 1.0 . 5.5 450 382 A 64 ILE H A 87 LEU HD11 1.0 . 5.5 451 383 A 64 ILE HA A 87 LEU HD11 1.0 . 5.5 452 384 A 88 LYS HA A 64 ILE HD11 1.0 . 5.5 453 385 A 88 LYS H A 64 ILE HD11 1.0 . 5.5 454 386 A 64 ILE HG21 A 110 TYR HE% 1.0 . 5.5 455 387 A 64 ILE HD11 A 110 TYR HE% 1.0 . 5.5 456 388 A 68 GLN H A 65 CYS HA 1.0 . 5.0 457 389 A 83 ALA HB1 A 67 LEU HD11 1.0 . 7.0 458 389 A 83 ALA HB1 A 67 LEU HD21 1.0 . 7.0 459 390 A 84 ILE HA A 67 LEU HD11 1.0 . 6.5 460 390 A 84 ILE HA A 67 LEU HD21 1.0 . 6.5 461 391 A 84 ILE H A 67 LEU HD11 1.0 . 6.5 462 391 A 84 ILE H A 67 LEU HD21 1.0 . 6.5 463 392 A 68 GLN HA A 84 ILE HD11 1.0 . 3.8 464 393 A 74 PHE H A 70 ARG HA 1.0 . 5.0 465 394 A 80 ILE HD11 A 70 ARG HBx 1.0 . 5.5 466 394 A 70 ARG HBy A 80 ILE HD11 1.0 . 5.5 467 395 A 71 ARG H A 80 ILE HD11 1.0 . 5.5 468 396 A 80 ILE HD11 A 71 ARG HA 1.0 . 5.5 469 397 A 71 ARG HA A 80 ILE HG21 1.0 . 5.5 470 398 A 80 ILE HD11 A 71 ARG HBx 1.0 . 6.3 471 398 A 71 ARG HBy A 80 ILE HD11 1.0 . 6.3 472 399 A 82 MET H A 79 GLU HA 1.0 . 5.0 473 400 A 83 ALA H A 80 ILE HA 1.0 . 5.0 474 401 A 80 ILE HA A 83 ALA HB1 1.0 . 5.5 475 402 A 103 ALA HB1 A 85 VAL HG11 1.0 . 5.5 476 402 A 103 ALA HB1 A 85 VAL HG21 1.0 . 5.5 477 403 A 104 ALA H A 85 VAL HG11 1.0 . 5.5 478 403 A 104 ALA H A 85 VAL HG21 1.0 . 5.5 479 404 A 103 ALA H A 89 VAL HGx% 1.0 . 6.5 480 404 A 103 ALA H A 89 VAL HG21 1.0 . 6.5 481 405 A 103 ALA HA A 89 VAL HGx% 1.0 . 4.8 482 405 A 103 ALA HA A 89 VAL HG21 1.0 . 4.8 483 406 A 103 ALA HB1 A 89 VAL HGx% 1.0 . 4.8 484 406 A 89 VAL HG21 A 103 ALA HB1 1.0 . 4.8 485 407 A 91 ALA HB1 A 110 TYR HD% 1.0 . 5.5 486 408 A 106 ALA HB1 A 92 VAL HG11 1.0 . 5.3 487 408 A 106 ALA HB1 A 92 VAL HG21 1.0 . 5.3 488 409 A 106 ALA HA A 92 VAL HG11 1.0 . 4.8 489 409 A 106 ALA HA A 92 VAL HG21 1.0 . 4.8 490 410 A 110 TYR H A 92 VAL HG11 1.0 . 6.5 491 410 A 110 TYR H A 92 VAL HG21 1.0 . 6.5 492 411 A 110 TYR HD% A 92 VAL HG11 1.0 . 7.5 493 411 A 110 TYR HD% A 92 VAL HG21 1.0 . 7.5 494 412 A 113 MET HE1 A 96 LEU HD11 1.0 . 6.0 495 412 A 96 LEU HD21 A 113 MET HE1 1.0 . 6.0 496 413 A 106 ALA HB1 A 100 VAL HG11 1.0 . 4.3 497 413 A 106 ALA HB1 A 100 VAL HG21 1.0 . 4.3 498 414 A 102 THR HG21 A 101 SER HBx 1.0 . 4.0 499 414 A 102 THR HG21 A 101 SER HBy 1.0 . 4.0 500 415 A 109 MET HE1 A 115 LEU HD11 1.0 . 6.0 501 416 A 110 TYR HD% A 115 LEU HD11 1.0 . 5.6 502 416 A 110 TYR HD% A 115 LEU HD21 1.0 . 5.6 stop_ save_