data_nef_c25700_2n59 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2N59 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 4 CYS SG 1 90 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 VAL middle . . 3 A 3 GLN middle . . 4 A 4 CYS middle -HG . 5 A 5 GLU middle . . 6 A 6 VAL middle . . 7 A 7 GLU middle . . 8 A 8 ALA middle . . 9 A 9 ALA middle . . 10 A 10 VAL middle . . 11 A 11 SER middle . . 12 A 12 GLY middle . false 13 A 13 GLY middle . false 14 A 14 HIS middle . . 15 A 15 VAL middle . . 16 A 16 THR middle . . 17 A 17 LEU middle . . 18 A 18 GLN middle . . 19 A 19 GLY middle . false 20 A 20 VAL middle . . 21 A 21 ILE middle . . 22 A 22 THR middle . . 23 A 23 ALA middle . . 24 A 24 VAL middle . . 25 A 25 ARG middle . . 26 A 26 ASP middle . . 27 A 27 GLY middle . false 28 A 28 ALA middle . . 29 A 29 GLY middle . false 30 A 30 SER middle . . 31 A 31 TYR middle . . 32 A 32 LYS middle . . 33 A 33 LEU middle . . 34 A 34 ALA middle . . 35 A 35 VAL middle . . 36 A 36 ASP middle . . 37 A 37 LYS middle . . 38 A 38 ALA middle . . 39 A 39 GLY middle . false 40 A 40 ALA middle . . 41 A 41 ALA middle . . 42 A 42 GLY middle . false 43 A 43 THR middle . . 44 A 44 SER middle . . 45 A 45 ARG middle . . 46 A 46 ILE middle . . 47 A 47 LYS middle . . 48 A 48 GLN middle . . 49 A 49 ALA middle . . 50 A 50 GLY middle . false 51 A 51 ALA middle . . 52 A 52 PHE middle . . 53 A 53 THR middle . . 54 A 54 ALA middle . . 55 A 55 ILE middle . . 56 A 56 ALA middle . . 57 A 57 GLU middle . . 58 A 58 GLN middle . . 59 A 59 ARG middle . . 60 A 60 VAL middle . . 61 A 61 THR middle . . 62 A 62 VAL middle . . 63 A 63 GLY middle . false 64 A 64 ASN middle . . 65 A 65 VAL middle . . 66 A 66 VAL middle . . 67 A 67 LEU middle . . 68 A 68 ASP middle . . 69 A 69 TYR middle . . 70 A 70 SER middle . . 71 A 71 SER middle . . 72 A 72 ALA middle . . 73 A 73 ASN middle . . 74 A 74 ARG middle . . 75 A 75 TYR middle . . 76 A 76 ALA middle . . 77 A 77 ALA middle . . 78 A 78 ARG middle . . 79 A 79 LEU middle . . 80 A 80 ASP middle . . 81 A 81 VAL middle . . 82 A 82 SER middle . . 83 A 83 PHE middle . . 84 A 84 GLY middle . false 85 A 85 SER middle . . 86 A 86 VAL middle . . 87 A 87 THR middle . . 88 A 88 ILE middle . . 89 A 89 GLN middle . . 90 A 90 CYS middle -HG . 91 A 91 ASN middle . . 92 A 92 LEU middle . . 93 A 93 ASP middle . . 94 A 94 PRO middle . false 95 A 95 GLU middle . . 96 A 96 THR middle . . 97 A 97 VAL middle . . 98 A 98 LYS middle . . 99 A 99 LEU middle . . 100 A 100 GLU middle . . 101 A 101 HIS middle . . 102 A 102 HIS middle . . 103 A 103 HIS middle . . 104 A 104 HIS middle . . 105 A 105 HIS middle . . 106 A 106 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET C C 13 175.663 0.5 A 1 MET CA C 13 56.756 0.5 A 2 VAL H H 1 8.041 0.05 A 2 VAL HA H 1 4.678 0.05 A 2 VAL HB H 1 1.710 0.05 A 2 VAL HGx% H 1 0.530 0.05 A 2 VAL HGy% H 1 0.668 0.05 A 2 VAL C C 13 171.871 0.5 A 2 VAL CA C 13 59.500 0.5 A 2 VAL CB C 13 34.185 0.5 A 2 VAL CGy C 13 21.530 0.5 A 2 VAL CGx C 13 19.620 0.5 A 2 VAL N N 15 123.080 0.5 A 3 GLN H H 1 8.126 0.05 A 3 GLN HA H 1 4.660 0.05 A 3 GLN HBy H 1 2.063 0.05 A 3 GLN HBx H 1 1.850 0.05 A 3 GLN HGy H 1 2.288 0.05 A 3 GLN HGx H 1 2.220 0.05 A 3 GLN CA C 13 54.109 0.5 A 3 GLN CB C 13 33.338 0.5 A 3 GLN CG C 13 33.510 0.5 A 3 GLN N N 15 123.080 0.5 A 4 CYS H H 1 8.909 0.05 A 4 CYS HA H 1 5.676 0.05 A 4 CYS HBy H 1 2.941 0.05 A 4 CYS HBx H 1 2.458 0.05 A 4 CYS C C 13 171.720 0.5 A 4 CYS CA C 13 53.402 0.5 A 4 CYS CB C 13 45.525 0.5 A 4 CYS N N 15 115.260 0.5 A 5 GLU H H 1 8.580 0.05 A 5 GLU HA H 1 4.479 0.05 A 5 GLU HBx H 1 1.710 0.05 A 5 GLU HBy H 1 1.949 0.05 A 5 GLU HGx H 1 2.010 0.05 A 5 GLU HGy H 1 2.140 0.05 A 5 GLU C C 13 174.088 0.5 A 5 GLU CA C 13 54.838 0.5 A 5 GLU CB C 13 34.155 0.5 A 5 GLU CG C 13 35.971 0.5 A 5 GLU N N 15 117.764 0.5 A 6 VAL H H 1 8.588 0.05 A 6 VAL HA H 1 4.427 0.05 A 6 VAL HB H 1 1.451 0.05 A 6 VAL HGx% H 1 0.520 0.05 A 6 VAL HGy% H 1 0.640 0.05 A 6 VAL C C 13 174.211 0.5 A 6 VAL CA C 13 61.540 0.5 A 6 VAL CB C 13 32.618 0.5 A 6 VAL CGy C 13 22.180 0.5 A 6 VAL CGx C 13 22.060 0.5 A 6 VAL N N 15 120.471 0.5 A 7 GLU H H 1 8.820 0.05 A 7 GLU HA H 1 4.548 0.05 A 7 GLU HBx H 1 1.700 0.05 A 7 GLU HBy H 1 1.807 0.05 A 7 GLU HGx H 1 1.984 0.05 A 7 GLU HGy H 1 2.018 0.05 A 7 GLU C C 13 174.194 0.5 A 7 GLU CA C 13 54.524 0.5 A 7 GLU CB C 13 33.291 0.5 A 7 GLU CG C 13 36.142 0.5 A 7 GLU N N 15 125.816 0.5 A 8 ALA H H 1 8.410 0.05 A 8 ALA HA H 1 5.238 0.05 A 8 ALA HB% H 1 0.925 0.05 A 8 ALA C C 13 175.557 0.5 A 8 ALA CA C 13 49.950 0.5 A 8 ALA CB C 13 22.730 0.5 A 8 ALA N N 15 122.882 0.5 A 9 ALA H H 1 8.407 0.05 A 9 ALA HA H 1 4.691 0.05 A 9 ALA HB% H 1 1.200 0.05 A 9 ALA C C 13 176.300 0.5 A 9 ALA CA C 13 50.825 0.5 A 9 ALA CB C 13 21.240 0.5 A 9 ALA N N 15 124.110 0.5 A 10 VAL H H 1 8.860 0.05 A 10 VAL HA H 1 4.379 0.05 A 10 VAL HB H 1 1.564 0.05 A 10 VAL HGx% H 1 0.111 0.05 A 10 VAL HGy% H 1 0.111 0.05 A 10 VAL C C 13 175.717 0.5 A 10 VAL CA C 13 61.580 0.5 A 10 VAL CB C 13 32.209 0.5 A 10 VAL CGx C 13 20.630 0.5 A 10 VAL CGy C 13 20.890 0.5 A 10 VAL N N 15 126.780 0.5 A 11 SER H H 1 8.478 0.05 A 11 SER HA H 1 4.448 0.05 A 11 SER HBx H 1 3.637 0.05 A 11 SER HBy H 1 3.643 0.05 A 11 SER C C 13 175.498 0.5 A 11 SER CA C 13 57.590 0.5 A 11 SER CB C 13 64.000 0.5 A 11 SER N N 15 120.868 0.5 A 12 GLY H H 1 9.120 0.05 A 12 GLY HAx H 1 3.800 0.05 A 12 GLY HAy H 1 3.860 0.05 A 12 GLY C C 13 174.994 0.5 A 12 GLY CA C 13 47.515 0.5 A 12 GLY N N 15 116.896 0.5 A 13 GLY H H 1 8.816 0.05 A 13 GLY HAy H 1 4.010 0.05 A 13 GLY HAx H 1 3.910 0.05 A 13 GLY C C 13 174.440 0.5 A 13 GLY CA C 13 45.383 0.5 A 13 GLY N N 15 108.984 0.5 A 14 HIS H H 1 8.084 0.05 A 14 HIS HA H 1 5.458 0.05 A 14 HIS HBx H 1 3.031 0.05 A 14 HIS HBy H 1 3.031 0.05 A 14 HIS C C 13 172.243 0.5 A 14 HIS CA C 13 54.905 0.5 A 14 HIS CB C 13 32.311 0.5 A 14 HIS N N 15 118.737 0.5 A 15 VAL H H 1 9.369 0.05 A 15 VAL HA H 1 4.932 0.05 A 15 VAL HB H 1 1.520 0.05 A 15 VAL HGx% H 1 0.429 0.05 A 15 VAL HGy% H 1 0.409 0.05 A 15 VAL C C 13 172.314 0.5 A 15 VAL CA C 13 58.540 0.5 A 15 VAL CB C 13 34.285 0.5 A 15 VAL CGx C 13 19.180 0.5 A 15 VAL CGy C 13 21.690 0.5 A 15 VAL N N 15 120.204 0.5 A 16 THR H H 1 8.604 0.05 A 16 THR HA H 1 5.220 0.05 A 16 THR HB H 1 3.825 0.05 A 16 THR HG2% H 1 0.943 0.05 A 16 THR C C 13 174.478 0.5 A 16 THR CA C 13 61.481 0.5 A 16 THR CB C 13 70.017 0.5 A 16 THR CG2 C 13 20.740 0.5 A 16 THR N N 15 123.685 0.5 A 17 LEU H H 1 9.627 0.05 A 17 LEU HA H 1 5.407 0.05 A 17 LEU HBy H 1 1.520 0.05 A 17 LEU HBx H 1 1.170 0.05 A 17 LEU HDx% H 1 0.670 0.05 A 17 LEU HDy% H 1 0.740 0.05 A 17 LEU HG H 1 1.452 0.05 A 17 LEU C C 13 174.481 0.5 A 17 LEU CA C 13 53.999 0.5 A 17 LEU CB C 13 44.108 0.5 A 17 LEU CDx C 13 27.045 0.5 A 17 LEU CDy C 13 27.045 0.5 A 17 LEU CG C 13 28.547 0.5 A 17 LEU N N 15 128.958 0.5 A 18 GLN H H 1 8.243 0.05 A 18 GLN HA H 1 4.465 0.05 A 18 GLN HBx H 1 1.700 0.05 A 18 GLN HBy H 1 1.900 0.05 A 18 GLN HGx H 1 1.850 0.05 A 18 GLN HGy H 1 1.860 0.05 A 18 GLN C C 13 174.042 0.5 A 18 GLN CA C 13 53.725 0.5 A 18 GLN CB C 13 31.767 0.5 A 18 GLN CG C 13 32.132 0.5 A 18 GLN N N 15 115.227 0.5 A 19 GLY H H 1 9.100 0.05 A 19 GLY HAx H 1 3.185 0.05 A 19 GLY HAy H 1 4.700 0.05 A 19 GLY C C 13 172.005 0.5 A 19 GLY CA C 13 44.485 0.5 A 19 GLY N N 15 107.795 0.5 A 20 VAL H H 1 8.859 0.05 A 20 VAL HA H 1 4.634 0.05 A 20 VAL HB H 1 1.656 0.05 A 20 VAL HGx% H 1 0.560 0.05 A 20 VAL HGy% H 1 0.600 0.05 A 20 VAL C C 13 175.670 0.5 A 20 VAL CA C 13 61.380 0.5 A 20 VAL CB C 13 33.990 0.5 A 20 VAL CGy C 13 21.330 0.5 A 20 VAL CGx C 13 20.202 0.5 A 20 VAL N N 15 120.951 0.5 A 21 ILE H H 1 9.304 0.05 A 21 ILE HA H 1 4.443 0.05 A 21 ILE HB H 1 1.070 0.05 A 21 ILE HD1% H 1 -0.263 0.05 A 21 ILE HG1y H 1 0.300 0.05 A 21 ILE HG1x H 1 0.279 0.05 A 21 ILE HG2% H 1 0.344 0.05 A 21 ILE C C 13 174.567 0.5 A 21 ILE CA C 13 59.883 0.5 A 21 ILE CB C 13 41.152 0.5 A 21 ILE CD1 C 13 15.107 0.5 A 21 ILE CG1 C 13 27.640 0.5 A 21 ILE CG2 C 13 17.500 0.5 A 21 ILE N N 15 129.511 0.5 A 22 THR H H 1 8.063 0.05 A 22 THR HA H 1 4.479 0.05 A 22 THR HB H 1 3.652 0.05 A 22 THR HG2% H 1 0.800 0.05 A 22 THR C C 13 172.996 0.5 A 22 THR CA C 13 61.647 0.5 A 22 THR CB C 13 70.230 0.5 A 22 THR CG2 C 13 20.535 0.5 A 22 THR N N 15 120.311 0.5 A 23 ALA H H 1 9.764 0.05 A 23 ALA HA H 1 5.056 0.05 A 23 ALA HB% H 1 0.965 0.05 A 23 ALA C C 13 177.722 0.5 A 23 ALA CA C 13 49.963 0.5 A 23 ALA CB C 13 22.915 0.5 A 23 ALA N N 15 104.959 0.5 A 24 VAL H H 1 8.239 0.05 A 24 VAL HA H 1 4.083 0.05 A 24 VAL HB H 1 2.333 0.05 A 24 VAL HGx% H 1 0.993 0.05 A 24 VAL HGy% H 1 0.948 0.05 A 24 VAL C C 13 174.539 0.5 A 24 VAL CA C 13 62.339 0.5 A 24 VAL CB C 13 31.933 0.5 A 24 VAL CGx C 13 19.780 0.5 A 24 VAL CGy C 13 21.100 0.5 A 24 VAL N N 15 113.370 0.5 A 25 ARG H H 1 7.308 0.05 A 25 ARG HA H 1 4.740 0.05 A 25 ARG HBx H 1 1.785 0.05 A 25 ARG HBy H 1 1.930 0.05 A 25 ARG HDx H 1 3.239 0.05 A 25 ARG HDy H 1 3.239 0.05 A 25 ARG HGx H 1 1.625 0.05 A 25 ARG HGy H 1 1.625 0.05 A 25 ARG C C 13 172.797 0.5 A 25 ARG CA C 13 53.284 0.5 A 25 ARG CB C 13 33.542 0.5 A 25 ARG CD C 13 43.534 0.5 A 25 ARG CG C 13 26.043 0.5 A 25 ARG N N 15 116.002 0.5 A 26 ASP H H 1 8.301 0.05 A 26 ASP HA H 1 4.665 0.05 A 26 ASP HBx H 1 2.540 0.05 A 26 ASP HBy H 1 2.800 0.05 A 26 ASP C C 13 177.721 0.5 A 26 ASP CA C 13 53.911 0.5 A 26 ASP CB C 13 41.143 0.5 A 26 ASP N N 15 118.075 0.5 A 27 GLY H H 1 8.276 0.05 A 27 GLY HAx H 1 3.920 0.05 A 27 GLY HAy H 1 4.086 0.05 A 27 GLY C C 13 170.472 0.5 A 27 GLY CA C 13 46.213 0.5 A 27 GLY N N 15 106.966 0.5 A 28 ALA H H 1 8.065 0.05 A 28 ALA HA H 1 4.898 0.05 A 28 ALA HB% H 1 1.342 0.05 A 28 ALA C C 13 176.720 0.5 A 28 ALA CA C 13 50.756 0.5 A 28 ALA CB C 13 21.482 0.5 A 28 ALA N N 15 122.805 0.5 A 29 GLY H H 1 7.654 0.05 A 29 GLY HAx H 1 3.920 0.05 A 29 GLY HAy H 1 4.400 0.05 A 29 GLY C C 13 172.866 0.5 A 29 GLY CA C 13 45.538 0.5 A 29 GLY N N 15 106.538 0.5 A 30 SER H H 1 9.185 0.05 A 30 SER HA H 1 5.564 0.05 A 30 SER HBx H 1 3.870 0.05 A 30 SER HBy H 1 3.960 0.05 A 30 SER C C 13 172.216 0.5 A 30 SER CA C 13 57.505 0.5 A 30 SER CB C 13 66.321 0.5 A 30 SER N N 15 116.216 0.5 A 31 TYR H H 1 9.215 0.05 A 31 TYR HA H 1 6.035 0.05 A 31 TYR HBx H 1 2.610 0.05 A 31 TYR HBy H 1 2.977 0.05 A 31 TYR HDy H 1 6.949 0.05 A 31 TYR HEy H 1 6.868 0.05 A 31 TYR C C 13 174.138 0.5 A 31 TYR CA C 13 55.806 0.5 A 31 TYR CB C 13 43.091 0.5 A 31 TYR CDy C 13 132.081 0.5 A 31 TYR CEy C 13 118.554 0.5 A 31 TYR N N 15 118.467 0.5 A 32 LYS H H 1 8.904 0.05 A 32 LYS HA H 1 4.772 0.05 A 32 LYS HBx H 1 1.820 0.05 A 32 LYS HBy H 1 1.950 0.05 A 32 LYS HDx H 1 1.642 0.05 A 32 LYS HDy H 1 1.642 0.05 A 32 LYS HEx H 1 2.889 0.05 A 32 LYS HEy H 1 2.890 0.05 A 32 LYS HGx H 1 1.350 0.05 A 32 LYS HGy H 1 1.400 0.05 A 32 LYS C C 13 173.750 0.5 A 32 LYS CA C 13 56.495 0.5 A 32 LYS CB C 13 35.800 0.5 A 32 LYS CD C 13 29.422 0.5 A 32 LYS CE C 13 41.931 0.5 A 32 LYS CG C 13 24.852 0.5 A 32 LYS N N 15 121.086 0.5 A 33 LEU H H 1 9.663 0.05 A 33 LEU HA H 1 5.329 0.05 A 33 LEU HBx H 1 1.270 0.05 A 33 LEU HBy H 1 2.050 0.05 A 33 LEU HDx% H 1 0.707 0.05 A 33 LEU HDy% H 1 0.694 0.05 A 33 LEU C C 13 173.389 0.5 A 33 LEU CA C 13 53.547 0.5 A 33 LEU CB C 13 45.460 0.5 A 33 LEU CDx C 13 22.612 0.5 A 33 LEU CDy C 13 22.645 0.5 A 33 LEU CG C 13 26.501 0.5 A 33 LEU N N 15 128.296 0.5 A 34 ALA H H 1 9.044 0.05 A 34 ALA HA H 1 5.419 0.05 A 34 ALA HB% H 1 1.341 0.05 A 34 ALA C C 13 176.313 0.5 A 34 ALA CA C 13 50.605 0.5 A 34 ALA CB C 13 21.237 0.5 A 34 ALA N N 15 129.791 0.5 A 35 VAL H H 1 9.332 0.05 A 35 VAL HA H 1 4.844 0.05 A 35 VAL HB H 1 2.005 0.05 A 35 VAL HGx% H 1 0.840 0.05 A 35 VAL HGy% H 1 0.932 0.05 A 35 VAL C C 13 173.511 0.5 A 35 VAL CA C 13 61.113 0.5 A 35 VAL CB C 13 35.152 0.5 A 35 VAL CGx C 13 21.090 0.5 A 35 VAL CGy C 13 21.800 0.5 A 35 VAL N N 15 124.532 0.5 A 36 ASP H H 1 9.169 0.05 A 36 ASP HA H 1 5.560 0.05 A 36 ASP HBx H 1 2.380 0.05 A 36 ASP HBy H 1 2.420 0.05 A 36 ASP C C 13 174.146 0.5 A 36 ASP CA C 13 53.219 0.5 A 36 ASP CB C 13 44.387 0.5 A 36 ASP N N 15 127.077 0.5 A 37 LYS H H 1 8.665 0.05 A 37 LYS HA H 1 4.673 0.05 A 37 LYS HBy H 1 1.717 0.05 A 37 LYS HBx H 1 1.460 0.05 A 37 LYS HDx H 1 1.540 0.05 A 37 LYS HDy H 1 1.660 0.05 A 37 LYS HEx H 1 2.841 0.05 A 37 LYS HEy H 1 2.841 0.05 A 37 LYS HGx H 1 0.840 0.05 A 37 LYS HGy H 1 1.047 0.05 A 37 LYS C C 13 173.710 0.5 A 37 LYS CA C 13 54.410 0.5 A 37 LYS CB C 13 34.907 0.5 A 37 LYS CD C 13 29.651 0.5 A 37 LYS CE C 13 41.480 0.5 A 37 LYS CG C 13 24.442 0.5 A 37 LYS N N 15 122.568 0.5 A 38 ALA H H 1 8.798 0.05 A 38 ALA HA H 1 4.983 0.05 A 38 ALA HB% H 1 1.269 0.05 A 38 ALA C C 13 176.141 0.5 A 38 ALA CA C 13 51.093 0.5 A 38 ALA CB C 13 21.778 0.5 A 38 ALA N N 15 130.221 0.5 A 39 GLY H H 1 7.851 0.05 A 39 GLY HAx H 1 4.090 0.05 A 39 GLY HAy H 1 4.284 0.05 A 39 GLY C C 13 174.208 0.5 A 39 GLY CA C 13 44.645 0.5 A 39 GLY N N 15 109.328 0.5 A 40 ALA H H 1 8.766 0.05 A 40 ALA HA H 1 4.051 0.05 A 40 ALA HB% H 1 1.360 0.05 A 40 ALA C C 13 178.917 0.5 A 40 ALA CA C 13 54.841 0.5 A 40 ALA CB C 13 18.293 0.5 A 40 ALA N N 15 125.088 0.5 A 41 ALA H H 1 8.300 0.05 A 41 ALA HA H 1 4.419 0.05 A 41 ALA HB% H 1 1.327 0.05 A 41 ALA C C 13 177.136 0.5 A 41 ALA CA C 13 51.929 0.5 A 41 ALA CB C 13 18.774 0.5 A 41 ALA N N 15 117.569 0.5 A 42 GLY H H 1 7.577 0.05 A 42 GLY HAx H 1 3.810 0.05 A 42 GLY HAy H 1 4.482 0.05 A 42 GLY C C 13 173.379 0.5 A 42 GLY CA C 13 44.336 0.5 A 42 GLY N N 15 106.796 0.5 A 43 THR H H 1 8.526 0.05 A 43 THR HA H 1 5.263 0.05 A 43 THR HB H 1 4.001 0.05 A 43 THR HG2% H 1 1.109 0.05 A 43 THR C C 13 174.244 0.5 A 43 THR CA C 13 61.137 0.5 A 43 THR CB C 13 70.759 0.5 A 43 THR CG2 C 13 21.227 0.5 A 43 THR N N 15 116.541 0.5 A 44 SER H H 1 8.904 0.05 A 44 SER HA H 1 4.759 0.05 A 44 SER HBx H 1 3.714 0.05 A 44 SER HBy H 1 3.824 0.05 A 44 SER C C 13 172.241 0.5 A 44 SER CA C 13 57.340 0.5 A 44 SER CB C 13 65.568 0.5 A 44 SER N N 15 120.903 0.5 A 45 ARG H H 1 8.579 0.05 A 45 ARG HA H 1 5.489 0.05 A 45 ARG HBy H 1 1.770 0.05 A 45 ARG HBx H 1 1.599 0.05 A 45 ARG HDx H 1 3.070 0.05 A 45 ARG HDy H 1 3.150 0.05 A 45 ARG HGx H 1 1.475 0.05 A 45 ARG HGy H 1 1.475 0.05 A 45 ARG C C 13 175.520 0.5 A 45 ARG CA C 13 55.101 0.5 A 45 ARG CB C 13 32.760 0.5 A 45 ARG CD C 13 43.316 0.5 A 45 ARG CG C 13 27.015 0.5 A 45 ARG N N 15 124.546 0.5 A 46 ILE H H 1 9.344 0.05 A 46 ILE HA H 1 4.460 0.05 A 46 ILE HB H 1 1.703 0.05 A 46 ILE HD1% H 1 0.878 0.05 A 46 ILE HG1x H 1 1.280 0.05 A 46 ILE HG1y H 1 1.485 0.05 A 46 ILE HG2% H 1 0.960 0.05 A 46 ILE C C 13 174.450 0.5 A 46 ILE CA C 13 60.220 0.5 A 46 ILE CB C 13 41.290 0.5 A 46 ILE CD1 C 13 13.921 0.5 A 46 ILE CG1 C 13 28.360 0.5 A 46 ILE CG2 C 13 18.780 0.5 A 46 ILE N N 15 127.920 0.5 A 47 LYS H H 1 8.734 0.05 A 47 LYS HA H 1 5.514 0.05 A 47 LYS HBx H 1 1.706 0.05 A 47 LYS HBy H 1 1.830 0.05 A 47 LYS HDx H 1 1.648 0.05 A 47 LYS HDy H 1 1.648 0.05 A 47 LYS HEy H 1 2.890 0.05 A 47 LYS HEx H 1 2.872 0.05 A 47 LYS HGx H 1 1.351 0.05 A 47 LYS HGy H 1 1.351 0.05 A 47 LYS C C 13 175.790 0.5 A 47 LYS CA C 13 54.870 0.5 A 47 LYS CB C 13 35.386 0.5 A 47 LYS CD C 13 29.388 0.5 A 47 LYS CE C 13 41.958 0.5 A 47 LYS CG C 13 25.034 0.5 A 47 LYS N N 15 126.061 0.5 A 48 GLN H H 1 9.228 0.05 A 48 GLN HA H 1 4.669 0.05 A 48 GLN HBx H 1 1.906 0.05 A 48 GLN HBy H 1 2.210 0.05 A 48 GLN HGx H 1 2.233 0.05 A 48 GLN HGy H 1 2.477 0.05 A 48 GLN C C 13 173.659 0.5 A 48 GLN CA C 13 54.895 0.5 A 48 GLN CB C 13 33.072 0.5 A 48 GLN CG C 13 34.186 0.5 A 48 GLN N N 15 122.633 0.5 A 49 ALA H H 1 8.557 0.05 A 49 ALA HA H 1 4.544 0.05 A 49 ALA HB% H 1 1.310 0.05 A 49 ALA C C 13 175.881 0.5 A 49 ALA CA C 13 50.993 0.5 A 49 ALA CB C 13 22.620 0.5 A 49 ALA N N 15 125.634 0.5 A 50 GLY H H 1 6.865 0.05 A 50 GLY HAx H 1 3.960 0.05 A 50 GLY HAy H 1 4.020 0.05 A 50 GLY C C 13 170.217 0.5 A 50 GLY CA C 13 45.670 0.5 A 50 GLY N N 15 105.483 0.5 A 51 ALA H H 1 8.522 0.05 A 51 ALA HA H 1 5.265 0.05 A 51 ALA HB% H 1 1.471 0.05 A 51 ALA C C 13 176.793 0.5 A 51 ALA CA C 13 50.736 0.5 A 51 ALA CB C 13 21.840 0.5 A 51 ALA N N 15 122.908 0.5 A 52 PHE H H 1 8.191 0.05 A 52 PHE HA H 1 5.106 0.05 A 52 PHE HBx H 1 2.906 0.05 A 52 PHE HBy H 1 2.980 0.05 A 52 PHE HDy H 1 6.859 0.05 A 52 PHE HEy H 1 6.961 0.05 A 52 PHE C C 13 172.832 0.5 A 52 PHE CA C 13 56.890 0.5 A 52 PHE CB C 13 42.428 0.5 A 52 PHE CDy C 13 132.301 0.5 A 52 PHE CEy C 13 133.859 0.5 A 52 PHE N N 15 115.156 0.5 A 53 THR H H 1 8.650 0.05 A 53 THR HA H 1 4.631 0.05 A 53 THR HB H 1 3.992 0.05 A 53 THR HG2% H 1 1.145 0.05 A 53 THR C C 13 172.769 0.5 A 53 THR CA C 13 61.610 0.5 A 53 THR CB C 13 70.736 0.5 A 53 THR CG2 C 13 21.754 0.5 A 53 THR N N 15 116.180 0.5 A 54 ALA H H 1 9.353 0.05 A 54 ALA HA H 1 4.748 0.05 A 54 ALA HB% H 1 1.474 0.05 A 54 ALA C C 13 176.369 0.5 A 54 ALA CA C 13 51.397 0.5 A 54 ALA CB C 13 22.010 0.5 A 54 ALA N N 15 127.969 0.5 A 55 ILE H H 1 7.856 0.05 A 55 ILE HA H 1 4.391 0.05 A 55 ILE HB H 1 1.463 0.05 A 55 ILE HD1% H 1 0.788 0.05 A 55 ILE HG1y H 1 1.403 0.05 A 55 ILE HG1x H 1 1.055 0.05 A 55 ILE HG2% H 1 0.881 0.05 A 55 ILE C C 13 176.079 0.5 A 55 ILE CA C 13 59.138 0.5 A 55 ILE CB C 13 39.451 0.5 A 55 ILE CD1 C 13 12.613 0.5 A 55 ILE CG1 C 13 27.353 0.5 A 55 ILE CG2 C 13 17.550 0.5 A 55 ILE N N 15 123.326 0.5 A 56 ALA H H 1 9.104 0.05 A 56 ALA HA H 1 3.493 0.05 A 56 ALA HB% H 1 1.257 0.05 A 56 ALA C C 13 177.405 0.5 A 56 ALA CA C 13 54.156 0.5 A 56 ALA CB C 13 18.871 0.5 A 56 ALA N N 15 130.280 0.5 A 57 GLU H H 1 9.007 0.05 A 57 GLU HA H 1 3.614 0.05 A 57 GLU HBx H 1 2.165 0.05 A 57 GLU HBy H 1 2.214 0.05 A 57 GLU HGx H 1 2.100 0.05 A 57 GLU HGy H 1 2.140 0.05 A 57 GLU C C 13 174.959 0.5 A 57 GLU CA C 13 58.080 0.5 A 57 GLU CB C 13 27.141 0.5 A 57 GLU CG C 13 36.507 0.5 A 57 GLU N N 15 113.081 0.5 A 58 GLN H H 1 8.061 0.05 A 58 GLN HA H 1 4.519 0.05 A 58 GLN HBx H 1 1.810 0.05 A 58 GLN HBy H 1 2.050 0.05 A 58 GLN HGx H 1 2.212 0.05 A 58 GLN HGy H 1 2.307 0.05 A 58 GLN C C 13 175.217 0.5 A 58 GLN CA C 13 54.379 0.5 A 58 GLN CB C 13 30.102 0.5 A 58 GLN CG C 13 33.473 0.5 A 58 GLN N N 15 119.796 0.5 A 59 ARG H H 1 8.486 0.05 A 59 ARG HA H 1 4.286 0.05 A 59 ARG HBx H 1 1.455 0.05 A 59 ARG HBy H 1 1.511 0.05 A 59 ARG HDx H 1 2.957 0.05 A 59 ARG HDy H 1 3.117 0.05 A 59 ARG HGx H 1 1.333 0.05 A 59 ARG HGy H 1 1.435 0.05 A 59 ARG C C 13 176.396 0.5 A 59 ARG CA C 13 56.810 0.5 A 59 ARG CB C 13 30.906 0.5 A 59 ARG CD C 13 43.642 0.5 A 59 ARG CG C 13 27.447 0.5 A 59 ARG N N 15 124.810 0.5 A 60 VAL H H 1 9.033 0.05 A 60 VAL HA H 1 4.319 0.05 A 60 VAL HB H 1 1.997 0.05 A 60 VAL HGx% H 1 0.830 0.05 A 60 VAL HGy% H 1 1.071 0.05 A 60 VAL C C 13 174.543 0.5 A 60 VAL CA C 13 61.227 0.5 A 60 VAL CB C 13 34.177 0.5 A 60 VAL CGx C 13 20.430 0.5 A 60 VAL CGy C 13 21.190 0.5 A 60 VAL N N 15 127.238 0.5 A 61 THR H H 1 8.340 0.05 A 61 THR HA H 1 5.096 0.05 A 61 THR HB H 1 3.914 0.05 A 61 THR HG2% H 1 0.996 0.05 A 61 THR C C 13 174.645 0.5 A 61 THR CA C 13 60.686 0.5 A 61 THR CB C 13 69.710 0.5 A 61 THR CG2 C 13 21.784 0.5 A 61 THR N N 15 120.913 0.5 A 62 VAL H H 1 8.658 0.05 A 62 VAL HA H 1 4.294 0.05 A 62 VAL HB H 1 0.339 0.05 A 62 VAL HGx% H 1 -0.085 0.05 A 62 VAL HGy% H 1 0.148 0.05 A 62 VAL C C 13 174.530 0.5 A 62 VAL CA C 13 58.641 0.5 A 62 VAL CB C 13 34.263 0.5 A 62 VAL CGx C 13 18.320 0.5 A 62 VAL CGy C 13 22.660 0.5 A 62 VAL N N 15 117.650 0.5 A 63 GLY H H 1 7.857 0.05 A 63 GLY HAx H 1 3.695 0.05 A 63 GLY HAy H 1 3.957 0.05 A 63 GLY C C 13 172.475 0.5 A 63 GLY CA C 13 43.668 0.5 A 63 GLY N N 15 107.924 0.5 A 64 ASN H H 1 8.933 0.05 A 64 ASN HA H 1 4.530 0.05 A 64 ASN HBx H 1 2.660 0.05 A 64 ASN HBy H 1 2.780 0.05 A 64 ASN C C 13 173.307 0.5 A 64 ASN CA C 13 55.380 0.5 A 64 ASN CB C 13 39.159 0.5 A 64 ASN N N 15 116.073 0.5 A 65 VAL H H 1 8.548 0.05 A 65 VAL HA H 1 4.238 0.05 A 65 VAL HB H 1 1.894 0.05 A 65 VAL HGx% H 1 0.800 0.05 A 65 VAL HGy% H 1 0.842 0.05 A 65 VAL C C 13 173.538 0.5 A 65 VAL CA C 13 61.970 0.5 A 65 VAL CB C 13 33.829 0.5 A 65 VAL CGx C 13 20.600 0.5 A 65 VAL CGy C 13 21.190 0.5 A 65 VAL N N 15 126.612 0.5 A 66 VAL H H 1 8.364 0.05 A 66 VAL HA H 1 4.990 0.05 A 66 VAL HB H 1 1.802 0.05 A 66 VAL HGx% H 1 0.629 0.05 A 66 VAL HGy% H 1 0.820 0.05 A 66 VAL C C 13 175.271 0.5 A 66 VAL CA C 13 61.360 0.5 A 66 VAL CB C 13 32.923 0.5 A 66 VAL CGx C 13 20.490 0.5 A 66 VAL CGy C 13 20.720 0.5 A 66 VAL N N 15 127.886 0.5 A 67 LEU H H 1 9.050 0.05 A 67 LEU HA H 1 4.955 0.05 A 67 LEU HBx H 1 1.557 0.05 A 67 LEU HBy H 1 1.680 0.05 A 67 LEU HDx% H 1 0.930 0.05 A 67 LEU HDy% H 1 0.921 0.05 A 67 LEU HG H 1 0.858 0.05 A 67 LEU C C 13 176.547 0.5 A 67 LEU CA C 13 52.492 0.5 A 67 LEU CB C 13 46.685 0.5 A 67 LEU CDx C 13 23.990 0.5 A 67 LEU CDy C 13 24.006 0.5 A 67 LEU CG C 13 27.132 0.5 A 67 LEU N N 15 126.454 0.5 A 68 ASP H H 1 8.722 0.05 A 68 ASP HA H 1 4.609 0.05 A 68 ASP HBx H 1 2.411 0.05 A 68 ASP HBy H 1 2.642 0.05 A 68 ASP C C 13 176.247 0.5 A 68 ASP CA C 13 55.492 0.5 A 68 ASP CB C 13 40.566 0.5 A 68 ASP N N 15 119.799 0.5 A 69 TYR H H 1 8.603 0.05 A 69 TYR HA H 1 4.651 0.05 A 69 TYR HBx H 1 2.231 0.05 A 69 TYR HBy H 1 2.413 0.05 A 69 TYR HDx H 1 6.542 0.05 A 69 TYR HEx H 1 6.628 0.05 A 69 TYR C C 13 174.253 0.5 A 69 TYR CA C 13 57.767 0.5 A 69 TYR CB C 13 40.067 0.5 A 69 TYR CDx C 13 132.736 0.5 A 69 TYR CEx C 13 118.838 0.5 A 69 TYR N N 15 123.398 0.5 A 70 SER H H 1 6.749 0.05 A 70 SER HA H 1 4.059 0.05 A 70 SER HBx H 1 3.313 0.05 A 70 SER HBy H 1 3.789 0.05 A 70 SER C C 13 174.851 0.5 A 70 SER CA C 13 56.341 0.5 A 70 SER CB C 13 64.634 0.5 A 70 SER N N 15 121.308 0.5 A 71 SER H H 1 8.907 0.05 A 71 SER HA H 1 4.221 0.05 A 71 SER HBx H 1 3.956 0.05 A 71 SER HBy H 1 4.076 0.05 A 71 SER C C 13 174.098 0.5 A 71 SER CA C 13 60.326 0.5 A 71 SER CB C 13 62.814 0.5 A 71 SER N N 15 122.764 0.5 A 72 ALA H H 1 7.869 0.05 A 72 ALA HA H 1 4.320 0.05 A 72 ALA HB% H 1 1.264 0.05 A 72 ALA C C 13 177.749 0.5 A 72 ALA CA C 13 52.283 0.5 A 72 ALA CB C 13 18.950 0.5 A 72 ALA N N 15 122.199 0.5 A 73 ASN H H 1 7.265 0.05 A 73 ASN HA H 1 5.076 0.05 A 73 ASN HBx H 1 1.859 0.05 A 73 ASN HBy H 1 2.640 0.05 A 73 ASN C C 13 173.794 0.5 A 73 ASN CA C 13 51.612 0.5 A 73 ASN CB C 13 40.647 0.5 A 73 ASN N N 15 116.297 0.5 A 74 ARG H H 1 8.529 0.05 A 74 ARG HA H 1 4.684 0.05 A 74 ARG HBx H 1 1.571 0.05 A 74 ARG HBy H 1 1.714 0.05 A 74 ARG HDx H 1 3.154 0.05 A 74 ARG HDy H 1 3.154 0.05 A 74 ARG HGx H 1 1.480 0.05 A 74 ARG HGy H 1 1.593 0.05 A 74 ARG C C 13 174.943 0.5 A 74 ARG CA C 13 54.523 0.5 A 74 ARG CB C 13 32.331 0.5 A 74 ARG CD C 13 43.125 0.5 A 74 ARG CG C 13 27.086 0.5 A 74 ARG N N 15 118.937 0.5 A 75 TYR H H 1 8.691 0.05 A 75 TYR HA H 1 5.159 0.05 A 75 TYR HBx H 1 2.555 0.05 A 75 TYR HBy H 1 2.695 0.05 A 75 TYR HDx H 1 7.060 0.05 A 75 TYR HEx H 1 6.730 0.05 A 75 TYR C C 13 173.593 0.5 A 75 TYR CA C 13 57.080 0.5 A 75 TYR CB C 13 41.202 0.5 A 75 TYR CDx C 13 133.500 0.5 A 75 TYR CEx C 13 119.370 0.5 A 75 TYR N N 15 122.282 0.5 A 76 ALA H H 1 8.688 0.05 A 76 ALA HA H 1 4.788 0.05 A 76 ALA HB% H 1 1.412 0.05 A 76 ALA C C 13 175.765 0.5 A 76 ALA CA C 13 50.543 0.5 A 76 ALA CB C 13 23.070 0.5 A 76 ALA N N 15 122.606 0.5 A 77 ALA H H 1 8.584 0.05 A 77 ALA HA H 1 5.488 0.05 A 77 ALA HB% H 1 1.286 0.05 A 77 ALA C C 13 174.473 0.5 A 77 ALA CA C 13 51.813 0.5 A 77 ALA CB C 13 24.137 0.5 A 77 ALA N N 15 119.325 0.5 A 78 ARG H H 1 8.807 0.05 A 78 ARG HA H 1 4.938 0.05 A 78 ARG HBx H 1 1.700 0.05 A 78 ARG HBy H 1 1.720 0.05 A 78 ARG HDy H 1 3.134 0.05 A 78 ARG HDx H 1 3.077 0.05 A 78 ARG HGx H 1 1.407 0.05 A 78 ARG HGy H 1 1.407 0.05 A 78 ARG C C 13 173.170 0.5 A 78 ARG CA C 13 54.890 0.5 A 78 ARG CB C 13 34.467 0.5 A 78 ARG CD C 13 43.533 0.5 A 78 ARG CG C 13 26.857 0.5 A 78 ARG N N 15 122.822 0.5 A 79 LEU H H 1 9.055 0.05 A 79 LEU HA H 1 5.440 0.05 A 79 LEU HBx H 1 0.795 0.05 A 79 LEU HBy H 1 2.460 0.05 A 79 LEU HDx% H 1 0.844 0.05 A 79 LEU HDy% H 1 0.844 0.05 A 79 LEU HG H 1 0.516 0.05 A 79 LEU C C 13 173.434 0.5 A 79 LEU CA C 13 53.186 0.5 A 79 LEU CB C 13 45.369 0.5 A 79 LEU CDx C 13 25.680 0.5 A 79 LEU CDy C 13 25.880 0.5 A 79 LEU CG C 13 26.909 0.5 A 79 LEU N N 15 130.548 0.5 A 80 ASP H H 1 9.251 0.05 A 80 ASP HA H 1 5.480 0.05 A 80 ASP HBx H 1 2.544 0.05 A 80 ASP HBy H 1 2.598 0.05 A 80 ASP C C 13 175.805 0.5 A 80 ASP CA C 13 53.794 0.5 A 80 ASP CB C 13 44.119 0.5 A 80 ASP N N 15 125.928 0.5 A 81 VAL H H 1 8.947 0.05 A 81 VAL HA H 1 4.843 0.05 A 81 VAL HB H 1 1.840 0.05 A 81 VAL HGx% H 1 0.904 0.05 A 81 VAL HGy% H 1 0.690 0.05 A 81 VAL C C 13 174.136 0.5 A 81 VAL CA C 13 61.438 0.5 A 81 VAL CB C 13 35.299 0.5 A 81 VAL CGx C 13 21.650 0.5 A 81 VAL CGy C 13 22.140 0.5 A 81 VAL N N 15 123.295 0.5 A 82 SER H H 1 9.026 0.05 A 82 SER HA H 1 5.380 0.05 A 82 SER HBx H 1 3.765 0.05 A 82 SER HBy H 1 3.900 0.05 A 82 SER C C 13 173.016 0.5 A 82 SER CA C 13 57.195 0.5 A 82 SER CB C 13 64.477 0.5 A 82 SER N N 15 122.698 0.5 A 83 PHE H H 1 9.012 0.05 A 83 PHE HA H 1 4.781 0.05 A 83 PHE HBx H 1 2.765 0.05 A 83 PHE HBy H 1 2.962 0.05 A 83 PHE HDy H 1 7.133 0.05 A 83 PHE HEy H 1 7.272 0.05 A 83 PHE C C 13 174.741 0.5 A 83 PHE CA C 13 57.376 0.5 A 83 PHE CB C 13 42.094 0.5 A 83 PHE CDy C 13 133.870 0.5 A 83 PHE CEy C 13 132.028 0.5 A 83 PHE N N 15 127.305 0.5 A 84 GLY H H 1 8.784 0.05 A 84 GLY HAx H 1 3.518 0.05 A 84 GLY HAy H 1 3.813 0.05 A 84 GLY C C 13 175.295 0.5 A 84 GLY CA C 13 47.086 0.5 A 84 GLY N N 15 117.337 0.5 A 85 SER H H 1 8.687 0.05 A 85 SER HA H 1 4.383 0.05 A 85 SER HBx H 1 3.903 0.05 A 85 SER HBy H 1 4.085 0.05 A 85 SER C C 13 173.796 0.5 A 85 SER CA C 13 59.095 0.5 A 85 SER CB C 13 63.360 0.5 A 85 SER N N 15 120.553 0.5 A 86 VAL H H 1 7.963 0.05 A 86 VAL HA H 1 4.504 0.05 A 86 VAL HB H 1 2.337 0.05 A 86 VAL HGx% H 1 1.084 0.05 A 86 VAL HGy% H 1 1.084 0.05 A 86 VAL C C 13 174.888 0.5 A 86 VAL CA C 13 61.610 0.5 A 86 VAL CB C 13 34.210 0.5 A 86 VAL CGx C 13 21.150 0.5 A 86 VAL CGy C 13 21.610 0.5 A 86 VAL N N 15 121.297 0.5 A 87 THR H H 1 8.302 0.05 A 87 THR HA H 1 5.551 0.05 A 87 THR HB H 1 4.002 0.05 A 87 THR HG2% H 1 1.136 0.05 A 87 THR C C 13 174.271 0.5 A 87 THR CA C 13 60.550 0.5 A 87 THR CB C 13 71.350 0.5 A 87 THR CG2 C 13 21.427 0.5 A 87 THR N N 15 119.631 0.5 A 88 ILE H H 1 8.986 0.05 A 88 ILE HA H 1 4.858 0.05 A 88 ILE HB H 1 1.928 0.05 A 88 ILE HD1% H 1 0.667 0.05 A 88 ILE HG1x H 1 0.885 0.05 A 88 ILE HG1y H 1 1.271 0.05 A 88 ILE HG2% H 1 0.870 0.05 A 88 ILE C C 13 174.300 0.5 A 88 ILE CA C 13 59.380 0.5 A 88 ILE CB C 13 43.170 0.5 A 88 ILE CD1 C 13 15.513 0.5 A 88 ILE CG1 C 13 26.971 0.5 A 88 ILE CG2 C 13 18.292 0.5 A 88 ILE N N 15 118.811 0.5 A 89 GLN H H 1 8.481 0.05 A 89 GLN HA H 1 5.814 0.05 A 89 GLN HBx H 1 1.940 0.05 A 89 GLN HBy H 1 1.990 0.05 A 89 GLN HGx H 1 1.965 0.05 A 89 GLN HGy H 1 1.965 0.05 A 89 GLN C C 13 175.021 0.5 A 89 GLN CA C 13 54.171 0.5 A 89 GLN CB C 13 34.262 0.5 A 89 GLN CG C 13 34.182 0.5 A 89 GLN N N 15 120.806 0.5 A 90 CYS H H 1 9.151 0.05 A 90 CYS HA H 1 5.010 0.05 A 90 CYS HBy H 1 3.545 0.05 A 90 CYS HBx H 1 3.209 0.05 A 90 CYS C C 13 172.402 0.5 A 90 CYS CA C 13 54.874 0.5 A 90 CYS CB C 13 50.267 0.5 A 90 CYS N N 15 118.531 0.5 A 91 ASN H H 1 8.791 0.05 A 91 ASN HA H 1 5.615 0.05 A 91 ASN HBx H 1 2.547 0.05 A 91 ASN HBy H 1 2.547 0.05 A 91 ASN C C 13 174.994 0.5 A 91 ASN CA C 13 52.484 0.5 A 91 ASN CB C 13 43.331 0.5 A 91 ASN N N 15 116.449 0.5 A 92 LEU H H 1 8.597 0.05 A 92 LEU HA H 1 4.286 0.05 A 92 LEU HBx H 1 1.197 0.05 A 92 LEU HBy H 1 1.857 0.05 A 92 LEU HDx% H 1 0.694 0.05 A 92 LEU HDy% H 1 0.587 0.05 A 92 LEU HG H 1 1.186 0.05 A 92 LEU C C 13 176.188 0.5 A 92 LEU CA C 13 54.863 0.5 A 92 LEU CB C 13 45.064 0.5 A 92 LEU CDx C 13 23.410 0.5 A 92 LEU CDy C 13 25.780 0.5 A 92 LEU CG C 13 26.610 0.5 A 92 LEU N N 15 123.391 0.5 A 93 ASP H H 1 9.146 0.05 A 93 ASP HA H 1 5.160 0.05 A 93 ASP HBx H 1 2.810 0.05 A 93 ASP HBy H 1 3.027 0.05 A 93 ASP C C 13 175.761 0.5 A 93 ASP CA C 13 50.948 0.5 A 93 ASP CB C 13 41.136 0.5 A 93 ASP N N 15 129.020 0.5 A 94 PRO HA H 1 4.304 0.05 A 94 PRO HBx H 1 2.635 0.05 A 94 PRO HBy H 1 2.635 0.05 A 94 PRO HDx H 1 4.100 0.05 A 94 PRO HDy H 1 4.294 0.05 A 94 PRO HGx H 1 2.147 0.05 A 94 PRO HGy H 1 2.147 0.05 A 94 PRO C C 13 178.637 0.5 A 94 PRO CA C 13 64.830 0.5 A 94 PRO CB C 13 32.579 0.5 A 94 PRO CD C 13 51.689 0.5 A 94 PRO CG C 13 27.568 0.5 A 95 GLU H H 1 8.358 0.05 A 95 GLU HA H 1 4.223 0.05 A 95 GLU HBx H 1 2.036 0.05 A 95 GLU HBy H 1 2.150 0.05 A 95 GLU HGx H 1 2.295 0.05 A 95 GLU HGy H 1 2.421 0.05 A 95 GLU C C 13 177.994 0.5 A 95 GLU CA C 13 57.773 0.5 A 95 GLU CB C 13 29.084 0.5 A 95 GLU CG C 13 36.423 0.5 A 95 GLU N N 15 116.747 0.5 A 96 THR H H 1 7.951 0.05 A 96 THR HA H 1 4.169 0.05 A 96 THR HB H 1 4.362 0.05 A 96 THR HG2% H 1 1.280 0.05 A 96 THR C C 13 175.238 0.5 A 96 THR CA C 13 63.038 0.5 A 96 THR CB C 13 69.640 0.5 A 96 THR CG2 C 13 21.932 0.5 A 96 THR N N 15 109.182 0.5 A 97 VAL H H 1 7.175 0.05 A 97 VAL HA H 1 3.770 0.05 A 97 VAL HB H 1 2.214 0.05 A 97 VAL HGx% H 1 0.628 0.05 A 97 VAL HGy% H 1 0.837 0.05 A 97 VAL C C 13 174.851 0.5 A 97 VAL CA C 13 63.272 0.5 A 97 VAL CB C 13 30.627 0.5 A 97 VAL CGx C 13 21.570 0.5 A 97 VAL CGy C 13 22.020 0.5 A 97 VAL N N 15 121.118 0.5 A 98 LYS H H 1 7.712 0.05 A 98 LYS HA H 1 4.385 0.05 A 98 LYS HBx H 1 1.726 0.05 A 98 LYS HBy H 1 1.861 0.05 A 98 LYS HDx H 1 1.662 0.05 A 98 LYS HDy H 1 1.662 0.05 A 98 LYS HEx H 1 2.982 0.05 A 98 LYS HEy H 1 2.982 0.05 A 98 LYS HGx H 1 1.350 0.05 A 98 LYS HGy H 1 1.370 0.05 A 98 LYS C C 13 175.612 0.5 A 98 LYS CA C 13 55.812 0.5 A 98 LYS CB C 13 33.804 0.5 A 98 LYS CD C 13 29.251 0.5 A 98 LYS CE C 13 42.179 0.5 A 98 LYS CG C 13 24.517 0.5 A 98 LYS N N 15 123.245 0.5 A 99 LEU H H 1 8.110 0.05 A 99 LEU HA H 1 4.123 0.05 A 99 LEU HBx H 1 1.484 0.05 A 99 LEU HBy H 1 1.484 0.05 A 99 LEU HDx% H 1 0.841 0.05 A 99 LEU HDy% H 1 0.743 0.05 A 99 LEU HG H 1 1.515 0.05 A 99 LEU C C 13 177.160 0.5 A 99 LEU CA C 13 55.309 0.5 A 99 LEU CB C 13 42.319 0.5 A 99 LEU CDy C 13 24.990 0.5 A 99 LEU CDx C 13 23.710 0.5 A 99 LEU CG C 13 26.940 0.5 A 99 LEU N N 15 122.457 0.5 A 100 GLU H H 1 8.340 0.05 A 100 GLU HA H 1 4.151 0.05 A 100 GLU HBx H 1 1.877 0.05 A 100 GLU HBy H 1 1.877 0.05 A 100 GLU HGx H 1 2.088 0.05 A 100 GLU HGy H 1 2.176 0.05 A 100 GLU C C 13 176.070 0.5 A 100 GLU CA C 13 56.740 0.5 A 100 GLU CB C 13 30.060 0.5 A 100 GLU CG C 13 36.073 0.5 A 100 GLU N N 15 120.800 0.5 A 101 HIS H H 1 8.252 0.05 A 101 HIS CA C 13 56.000 0.5 A 101 HIS CB C 13 30.350 0.5 A 101 HIS N N 15 119.861 0.5 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 4 CYS SG A 90 CYS SG 1.0 1.92 2.12 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 1 MET C A 2 VAL N A 2 VAL CA A 2 VAL C 1.0 -144.0 -91.6 PHI 2 2 A 2 VAL N A 2 VAL CA A 2 VAL C A 3 GLN N 1.0 114.2 160.2 PSI 3 3 A 2 VAL C A 3 GLN N A 3 GLN CA A 3 GLN C 1.0 -147.8 -117.4 PHI 4 4 A 3 GLN N A 3 GLN CA A 3 GLN C A 4 CYS N 1.0 130.0 166.4 PSI 5 5 A 3 GLN C A 4 CYS N A 4 CYS CA A 4 CYS C 1.0 -161.3 -138.9 PHI 6 6 A 4 CYS N A 4 CYS CA A 4 CYS C A 5 GLU N 1.0 145.9 179.5 PSI 7 7 A 4 CYS C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -161.7 -117.3 PHI 8 8 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 VAL N 1.0 120.8 173.6 PSI 9 9 A 5 GLU C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -146.6 -83.4 PHI 10 10 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 GLU N 1.0 113.4 150.6 PSI 11 11 A 6 VAL C A 7 GLU N A 7 GLU CA A 7 GLU C 1.0 -146.2 -99.8 PHI 12 12 A 7 GLU N A 7 GLU CA A 7 GLU C A 8 ALA N 1.0 116.2 158.2 PSI 13 13 A 7 GLU C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -152.3 -111.1 PHI 14 14 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 ALA N 1.0 127.8 165.8 PSI 15 15 A 8 ALA C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -148.3 -88.3 PHI 16 16 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 VAL N 1.0 106.3 143.9 PSI 17 17 A 9 ALA C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -121.9 -75.9 PHI 18 18 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 SER N 1.0 100.6 143.8 PSI 19 19 A 10 VAL C A 11 SER N A 11 SER CA A 11 SER C 1.0 -122.8 -41.6 PHI 20 20 A 11 SER N A 11 SER CA A 11 SER C A 12 GLY N 1.0 121.0 176.2 PSI 21 21 A 12 GLY C A 13 GLY N A 13 GLY CA A 13 GLY C 1.0 71.5 102.3 PHI 22 22 A 13 GLY N A 13 GLY CA A 13 GLY C A 14 HIS N 1.0 -15.1 17.3 PSI 23 23 A 13 GLY C A 14 HIS N A 14 HIS CA A 14 HIS C 1.0 -142.5 -88.9 PHI 24 24 A 14 HIS N A 14 HIS CA A 14 HIS C A 15 VAL N 1.0 130.2 173.8 PSI 25 25 A 14 HIS C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -148.9 -107.7 PHI 26 26 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 THR N 1.0 119.0 161.0 PSI 27 27 A 15 VAL C A 16 THR N A 16 THR CA A 16 THR C 1.0 -133.9 -97.5 PHI 28 28 A 16 THR N A 16 THR CA A 16 THR C A 17 LEU N 1.0 118.8 141.6 PSI 29 29 A 16 THR C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -130.6 -95.4 PHI 30 30 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 GLN N 1.0 111.4 153.0 PSI 31 31 A 17 LEU C A 18 GLN N A 18 GLN CA A 18 GLN C 1.0 -162.9 -116.5 PHI 32 32 A 18 GLN N A 18 GLN CA A 18 GLN C A 19 GLY N 1.0 131.1 172.7 PSI 33 33 A 18 GLN C A 19 GLY N A 19 GLY CA A 19 GLY C 1.0 -232.5 -79.3 PHI 34 34 A 19 GLY N A 19 GLY CA A 19 GLY C A 20 VAL N 1.0 124.7 208.3 PSI 35 35 A 19 GLY C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -140.4 -85.2 PHI 36 36 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 ILE N 1.0 109.9 148.3 PSI 37 37 A 20 VAL C A 21 ILE N A 21 ILE CA A 21 ILE C 1.0 -141.7 -90.9 PHI 38 38 A 21 ILE N A 21 ILE CA A 21 ILE C A 22 THR N 1.0 106.4 151.2 PSI 39 39 A 22 THR C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -166.0 -124.8 PHI 40 40 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 VAL N 1.0 123.8 196.6 PSI 41 41 A 24 VAL C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -175.4 -101.0 PHI 42 42 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 ASP N 1.0 120.4 193.2 PSI 43 43 A 27 GLY C A 28 ALA N A 28 ALA CA A 28 ALA C 1.0 -180.5 -84.1 PHI 44 44 A 28 ALA N A 28 ALA CA A 28 ALA C A 29 GLY N 1.0 122.0 166.8 PSI 45 45 A 28 ALA C A 29 GLY N A 29 GLY CA A 29 GLY C 1.0 -220.3 -105.1 PHI 46 46 A 29 GLY N A 29 GLY CA A 29 GLY C A 30 SER N 1.0 135.4 215.0 PSI 47 47 A 29 GLY C A 30 SER N A 30 SER CA A 30 SER C 1.0 -169.5 -117.9 PHI 48 48 A 30 SER N A 30 SER CA A 30 SER C A 31 TYR N 1.0 140.4 174.0 PSI 49 49 A 30 SER C A 31 TYR N A 31 TYR CA A 31 TYR C 1.0 -155.4 -119.0 PHI 50 50 A 31 TYR N A 31 TYR CA A 31 TYR C A 32 LYS N 1.0 134.7 173.1 PSI 51 51 A 31 TYR C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -160.1 -104.1 PHI 52 52 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 LEU N 1.0 112.6 152.6 PSI 53 53 A 32 LYS C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -138.9 -100.5 PHI 54 54 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 ALA N 1.0 109.4 149.4 PSI 55 55 A 33 LEU C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -140.7 -101.1 PHI 56 56 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 VAL N 1.0 114.7 142.7 PSI 57 57 A 34 ALA C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -146.6 -107.4 PHI 58 58 A 35 VAL N A 35 VAL CA A 35 VAL C A 36 ASP N 1.0 114.1 154.1 PSI 59 59 A 35 VAL C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -144.7 -103.1 PHI 60 60 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 LYS N 1.0 115.3 155.3 PSI 61 61 A 36 ASP C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -148.0 -92.4 PHI 62 62 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 ALA N 1.0 99.3 153.7 PSI 63 63 A 37 LYS C A 38 ALA N A 38 ALA CA A 38 ALA C 1.0 -149.4 -91.4 PHI 64 64 A 38 ALA N A 38 ALA CA A 38 ALA C A 39 GLY N 1.0 106.1 160.5 PSI 65 65 A 38 ALA C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 -161.1 -33.1 PHI 66 66 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 ALA N 1.0 140.9 196.5 PSI 67 67 A 39 GLY C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -82.0 -42.0 PHI 68 68 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 ALA N 1.0 -44.1 -4.1 PSI 69 69 A 40 ALA C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -103.2 -63.2 PHI 70 70 A 41 ALA N A 41 ALA CA A 41 ALA C A 42 GLY N 1.0 -29.2 12.8 PSI 71 71 A 42 GLY C A 43 THR N A 43 THR CA A 43 THR C 1.0 -136.9 -94.9 PHI 72 72 A 43 THR N A 43 THR CA A 43 THR C A 44 SER N 1.0 113.4 159.4 PSI 73 73 A 43 THR C A 44 SER N A 44 SER CA A 44 SER C 1.0 -168.3 -90.7 PHI 74 74 A 44 SER N A 44 SER CA A 44 SER C A 45 ARG N 1.0 113.5 169.5 PSI 75 75 A 44 SER C A 45 ARG N A 45 ARG CA A 45 ARG C 1.0 -140.9 -88.5 PHI 76 76 A 45 ARG N A 45 ARG CA A 45 ARG C A 46 ILE N 1.0 112.6 152.6 PSI 77 77 A 45 ARG C A 46 ILE N A 46 ILE CA A 46 ILE C 1.0 -138.7 -98.7 PHI 78 78 A 46 ILE N A 46 ILE CA A 46 ILE C A 47 LYS N 1.0 111.6 151.6 PSI 79 79 A 46 ILE C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -145.5 -99.1 PHI 80 80 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 GLN N 1.0 113.5 153.5 PSI 81 81 A 47 LYS C A 48 GLN N A 48 GLN CA A 48 GLN C 1.0 -159.2 -116.0 PHI 82 82 A 48 GLN N A 48 GLN CA A 48 GLN C A 49 ALA N 1.0 117.7 167.7 PSI 83 83 A 48 GLN C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -169.2 -116.4 PHI 84 84 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 GLY N 1.0 131.6 172.0 PSI 85 85 A 49 ALA C A 50 GLY N A 50 GLY CA A 50 GLY C 1.0 158.6 200.2 PHI 86 86 A 50 GLY N A 50 GLY CA A 50 GLY C A 51 ALA N 1.0 -201.0 -139.4 PSI 87 87 A 50 GLY C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -168.4 -106.0 PHI 88 88 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 PHE N 1.0 126.1 174.1 PSI 89 89 A 51 ALA C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -167.1 -125.9 PHI 90 90 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 THR N 1.0 122.0 176.4 PSI 91 91 A 52 PHE C A 53 THR N A 53 THR CA A 53 THR C 1.0 -141.8 -87.0 PHI 92 92 A 53 THR N A 53 THR CA A 53 THR C A 54 ALA N 1.0 116.0 148.4 PSI 93 93 A 53 THR C A 54 ALA N A 54 ALA CA A 54 ALA C 1.0 -149.5 -84.3 PHI 94 94 A 54 ALA N A 54 ALA CA A 54 ALA C A 55 ILE N 1.0 116.9 144.5 PSI 95 95 A 54 ALA C A 55 ILE N A 55 ILE CA A 55 ILE C 1.0 -125.2 -81.2 PHI 96 96 A 55 ILE N A 55 ILE CA A 55 ILE C A 56 ALA N 1.0 88.8 158.4 PSI 97 97 A 56 ALA C A 57 GLU N A 57 GLU CA A 57 GLU C 1.0 45.7 90.5 PHI 98 98 A 57 GLU N A 57 GLU CA A 57 GLU C A 58 GLN N 1.0 -17.8 53.0 PSI 99 99 A 57 GLU C A 58 GLN N A 58 GLN CA A 58 GLN C 1.0 -140.1 -57.7 PHI 100 100 A 58 GLN N A 58 GLN CA A 58 GLN C A 59 ARG N 1.0 109.1 164.7 PSI 101 101 A 58 GLN C A 59 ARG N A 59 ARG CA A 59 ARG C 1.0 -90.7 -56.7 PHI 102 102 A 59 ARG N A 59 ARG CA A 59 ARG C A 60 VAL N 1.0 109.2 146.8 PSI 103 103 A 59 ARG C A 60 VAL N A 60 VAL CA A 60 VAL C 1.0 -136.4 -92.0 PHI 104 104 A 60 VAL N A 60 VAL CA A 60 VAL C A 61 THR N 1.0 113.8 142.2 PSI 105 105 A 60 VAL C A 61 THR N A 61 THR CA A 61 THR C 1.0 -137.8 -78.6 PHI 106 106 A 61 THR N A 61 THR CA A 61 THR C A 62 VAL N 1.0 113.5 151.9 PSI 107 107 A 61 THR C A 62 VAL N A 62 VAL CA A 62 VAL C 1.0 -149.0 -112.6 PHI 108 108 A 62 VAL N A 62 VAL CA A 62 VAL C A 63 GLY N 1.0 136.5 176.5 PSI 109 109 A 63 GLY C A 64 ASN N A 64 ASN CA A 64 ASN C 1.0 -90.4 -50.4 PHI 110 110 A 64 ASN N A 64 ASN CA A 64 ASN C A 65 VAL N 1.0 110.8 152.8 PSI 111 111 A 64 ASN C A 65 VAL N A 65 VAL CA A 65 VAL C 1.0 -146.3 -89.5 PHI 112 112 A 65 VAL N A 65 VAL CA A 65 VAL C A 66 VAL N 1.0 102.8 140.0 PSI 113 113 A 65 VAL C A 66 VAL N A 66 VAL CA A 66 VAL C 1.0 -130.6 -84.2 PHI 114 114 A 66 VAL N A 66 VAL CA A 66 VAL C A 67 LEU N 1.0 108.2 143.8 PSI 115 115 A 66 VAL C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -145.0 -105.0 PHI 116 116 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 ASP N 1.0 122.0 168.4 PSI 117 117 A 67 LEU C A 68 ASP N A 68 ASP CA A 68 ASP C 1.0 -73.5 -50.3 PHI 118 118 A 68 ASP N A 68 ASP CA A 68 ASP C A 69 TYR N 1.0 129.2 153.6 PSI 119 119 A 68 ASP C A 69 TYR N A 69 TYR CA A 69 TYR C 1.0 -107.0 -67.0 PHI 120 120 A 69 TYR N A 69 TYR CA A 69 TYR C A 70 SER N 1.0 108.0 153.2 PSI 121 121 A 69 TYR C A 70 SER N A 70 SER CA A 70 SER C 1.0 -140.4 -63.6 PHI 122 122 A 70 SER N A 70 SER CA A 70 SER C A 71 SER N 1.0 92.8 148.8 PSI 123 123 A 70 SER C A 71 SER N A 71 SER CA A 71 SER C 1.0 -87.5 -47.5 PHI 124 124 A 71 SER N A 71 SER CA A 71 SER C A 72 ALA N 1.0 -36.1 2.7 PSI 125 125 A 73 ASN C A 74 ARG N A 74 ARG CA A 74 ARG C 1.0 -138.1 -76.9 PHI 126 126 A 74 ARG N A 74 ARG CA A 74 ARG C A 75 TYR N 1.0 112.1 167.7 PSI 127 127 A 74 ARG C A 75 TYR N A 75 TYR CA A 75 TYR C 1.0 -147.2 -93.2 PHI 128 128 A 75 TYR N A 75 TYR CA A 75 TYR C A 76 ALA N 1.0 114.5 165.7 PSI 129 129 A 75 TYR C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -159.2 -118.0 PHI 130 130 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 ALA N 1.0 136.8 165.6 PSI 131 131 A 76 ALA C A 77 ALA N A 77 ALA CA A 77 ALA C 1.0 -165.8 -119.8 PHI 132 132 A 77 ALA N A 77 ALA CA A 77 ALA C A 78 ARG N 1.0 130.1 162.9 PSI 133 133 A 77 ALA C A 78 ARG N A 78 ARG CA A 78 ARG C 1.0 -157.8 -103.4 PHI 134 134 A 78 ARG N A 78 ARG CA A 78 ARG C A 79 LEU N 1.0 117.3 152.9 PSI 135 135 A 78 ARG C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -135.2 -102.4 PHI 136 136 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 ASP N 1.0 117.4 142.2 PSI 137 137 A 79 LEU C A 80 ASP N A 80 ASP CA A 80 ASP C 1.0 -144.8 -92.0 PHI 138 138 A 80 ASP N A 80 ASP CA A 80 ASP C A 81 VAL N 1.0 115.8 155.8 PSI 139 139 A 80 ASP C A 81 VAL N A 81 VAL CA A 81 VAL C 1.0 -142.4 -102.4 PHI 140 140 A 81 VAL N A 81 VAL CA A 81 VAL C A 82 SER N 1.0 109.8 154.2 PSI 141 141 A 81 VAL C A 82 SER N A 82 SER CA A 82 SER C 1.0 -135.0 -95.0 PHI 142 142 A 82 SER N A 82 SER CA A 82 SER C A 83 PHE N 1.0 104.0 144.0 PSI 143 143 A 82 SER C A 83 PHE N A 83 PHE CA A 83 PHE C 1.0 -155.7 -110.1 PHI 144 144 A 83 PHE N A 83 PHE CA A 83 PHE C A 84 GLY N 1.0 91.3 132.1 PSI 145 145 A 83 PHE C A 84 GLY N A 84 GLY CA A 84 GLY C 1.0 44.7 84.7 PHI 146 146 A 84 GLY N A 84 GLY CA A 84 GLY C A 85 SER N 1.0 -143.7 -103.7 PSI 147 147 A 84 GLY C A 85 SER N A 85 SER CA A 85 SER C 1.0 -107.9 -79.5 PHI 148 148 A 85 SER N A 85 SER CA A 85 SER C A 86 VAL N 1.0 -12.6 17.0 PSI 149 149 A 85 SER C A 86 VAL N A 86 VAL CA A 86 VAL C 1.0 -124.1 -82.9 PHI 150 150 A 86 VAL N A 86 VAL CA A 86 VAL C A 87 THR N 1.0 116.4 159.2 PSI 151 151 A 86 VAL C A 87 THR N A 87 THR CA A 87 THR C 1.0 -154.3 -91.9 PHI 152 152 A 87 THR N A 87 THR CA A 87 THR C A 88 ILE N 1.0 120.8 160.8 PSI 153 153 A 87 THR C A 88 ILE N A 88 ILE CA A 88 ILE C 1.0 -152.0 -107.6 PHI 154 154 A 88 ILE N A 88 ILE CA A 88 ILE C A 89 GLN N 1.0 124.7 163.9 PSI 155 155 A 88 ILE C A 89 GLN N A 89 GLN CA A 89 GLN C 1.0 -150.8 -109.2 PHI 156 156 A 89 GLN N A 89 GLN CA A 89 GLN C A 90 CYS N 1.0 127.3 163.7 PSI 157 157 A 89 GLN C A 90 CYS N A 90 CYS CA A 90 CYS C 1.0 -169.5 -135.5 PHI 158 158 A 90 CYS N A 90 CYS CA A 90 CYS C A 91 ASN N 1.0 148.7 180.3 PSI 159 159 A 90 CYS C A 91 ASN N A 91 ASN CA A 91 ASN C 1.0 -147.6 -99.2 PHI 160 160 A 91 ASN N A 91 ASN CA A 91 ASN C A 92 LEU N 1.0 116.1 166.5 PSI 161 161 A 91 ASN C A 92 LEU N A 92 LEU CA A 92 LEU C 1.0 -160.3 -75.5 PHI 162 162 A 92 LEU N A 92 LEU CA A 92 LEU C A 93 ASP N 1.0 99.9 162.3 PSI 163 163 A 92 LEU C A 93 ASP N A 93 ASP CA A 93 ASP C 1.0 -136.1 -46.5 PHI 164 164 A 93 ASP N A 93 ASP CA A 93 ASP C A 94 PRO N 1.0 73.9 169.9 PSI 165 165 A 93 ASP C A 94 PRO N A 94 PRO CA A 94 PRO C 1.0 -76.1 -36.1 PHI 166 166 A 94 PRO N A 94 PRO CA A 94 PRO C A 95 GLU N 1.0 -52.0 -12.0 PSI 167 167 A 94 PRO C A 95 GLU N A 95 GLU CA A 95 GLU C 1.0 -90.2 -50.2 PHI 168 168 A 95 GLU N A 95 GLU CA A 95 GLU C A 96 THR N 1.0 -38.5 1.5 PSI 169 169 A 95 GLU C A 96 THR N A 96 THR CA A 96 THR C 1.0 -108.4 -68.4 PHI 170 170 A 96 THR N A 96 THR CA A 96 THR C A 97 VAL N 1.0 -33.7 6.3 PSI stop_ save_