data_nef_c50007_6uck save_entry_information_1 _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information_1 _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 . save_ save_assembly_1 _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly_1 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 13 CYS SG 1 18 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 THR start . . 2 A 2 PRO middle . false 3 A 3 ILE middle . . 4 A 4 GLU middle . . 5 A 5 SER middle . . 6 A 6 HIS middle . . 7 A 7 GLN middle . . 8 A 8 VAL middle . . 9 A 9 GLU middle . . 10 A 10 LYS middle . . 11 A 11 ARG middle . . 12 A 12 LYS middle . . 13 A 13 CYS middle -HG . 14 A 14 ASN middle . . 15 A 15 THR middle . . 16 A 16 ALA middle . . 17 A 17 THR middle . . 18 A 18 CYS middle -HG . 19 A 19 ALA middle . . 20 A 20 THR middle . . 21 A 21 GLN middle . . 22 A 22 ARG middle . . 23 A 23 LEU middle . . 24 A 24 ALA middle . . 25 A 25 ASN middle . . 26 A 26 PHE middle . . 27 A 27 LEU middle . . 28 A 28 VAL middle . . 29 A 29 HIS middle . . 30 A 30 SER middle . . 31 A 31 SER middle . . 32 A 32 ASN middle . . 33 A 33 ASN middle . . 34 A 34 PHE middle . . 35 A 35 GLY middle . false 36 A 36 ALA middle . . 37 A 37 ILE middle . . 38 A 38 LEU middle . . 39 A 39 SER middle . . 40 A 40 SER middle . . 41 A 41 THR middle . . 42 A 42 ASN middle . . 43 A 43 VAL middle . . 44 A 44 GLY middle . false 45 A 45 SER middle . . 46 A 46 ASN middle . . 47 A 47 THR middle . . 48 A 48 TYR middle . . 49 A 49 GLY middle . false 50 A 50 LYS middle . . 51 A 51 ARG middle . . 52 A 52 ASN middle . . 53 A 53 ALA middle . . 54 A 54 VAL middle . . 55 A 55 GLU middle . . 56 A 56 VAL middle . . 57 A 57 LEU middle . . 58 A 58 LYS middle . . 59 A 59 ARG middle . . 60 A 60 GLU middle . . 61 A 61 PRO middle . false 62 A 62 LEU middle . . 63 A 63 ASN middle . . 64 A 64 TYR middle . . 65 A 65 LEU middle . . 66 A 66 PRO middle . false 67 A 67 LEU middle . . 68 A 68 LYS middle . . 69 A 69 LYS middle . . 70 A 70 LYS middle . . 71 A 71 LYS middle . . 72 A 72 ASP 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 PRO C C 13 176.723 0.3 A 2 PRO CA C 13 63.244 0.3 A 2 PRO CB C 13 32.070 0.3 A 3 ILE H H 1 8.194 0.020 A 3 ILE HA H 1 4.132 0.020 A 3 ILE HB H 1 1.751 0.020 A 3 ILE C C 13 176.382 0.3 A 3 ILE CA C 13 61.342 0.3 A 3 ILE CB C 13 38.646 0.3 A 3 ILE CD1 C 13 12.937 0.3 A 3 ILE CG1 C 13 27.359 0.3 A 3 ILE CG2 C 13 17.483 0.3 A 3 ILE N N 15 121.105 0.3 A 4 GLU H H 1 8.441 0.020 A 4 GLU HA H 1 4.253 0.020 A 4 GLU CA C 13 56.620 0.3 A 4 GLU CB C 13 30.495 0.3 A 4 GLU CG C 13 36.217 0.3 A 4 GLU N N 15 124.755 0.3 A 5 SER H H 1 8.295 0.020 A 5 SER CA C 13 58.761 0.3 A 5 SER N N 15 116.816 0.3 A 8 VAL H H 1 8.051 0.020 A 8 VAL HA H 1 4.168 0.020 A 8 VAL C C 13 176.239 0.3 A 8 VAL CA C 13 62.802 0.3 A 8 VAL CB C 13 32.611 0.3 A 8 VAL CG1 C 13 21.559 0.3 A 8 VAL CG2 C 13 20.618 0.3 A 8 VAL N N 15 121.026 0.3 A 9 GLU H H 1 8.432 0.020 A 9 GLU HA H 1 4.463 0.020 A 9 GLU HBy H 1 1.924 0.020 A 9 GLU HBx H 1 1.839 0.020 A 9 GLU HG2 H 1 2.064 0.020 A 9 GLU HG3 H 1 2.064 0.020 A 9 GLU CA C 13 56.824 0.3 A 9 GLU CB C 13 29.789 0.3 A 9 GLU CG C 13 36.216 0.3 A 9 GLU N N 15 124.205 0.3 A 15 THR H H 1 7.467 0.020 A 15 THR C C 13 175.040 0.3 A 15 THR CA C 13 60.492 0.3 A 15 THR CB C 13 71.528 0.3 A 15 THR N N 15 108.414 0.3 A 16 ALA H H 1 9.364 0.020 A 16 ALA C C 13 180.024 0.3 A 16 ALA CA C 13 55.571 0.3 A 16 ALA CB C 13 18.433 0.3 A 16 ALA N N 15 123.611 0.3 A 17 THR H H 1 8.315 0.020 A 17 THR HB H 1 4.360 0.020 A 17 THR HG2% H 1 1.365 0.020 A 17 THR C C 13 175.920 0.3 A 17 THR CA C 13 65.663 0.3 A 17 THR CB C 13 68.660 0.3 A 17 THR N N 15 112.871 0.3 A 18 CYS H H 1 8.005 0.020 A 18 CYS HA H 1 4.185 0.020 A 18 CYS C C 13 176.525 0.3 A 18 CYS CA C 13 58.557 0.3 A 18 CYS CB C 13 41.547 0.3 A 18 CYS N N 15 120.610 0.3 A 19 ALA H H 1 8.266 0.020 A 19 ALA HA H 1 4.193 0.020 A 19 ALA HB% H 1 1.595 0.020 A 19 ALA C C 13 179.122 0.3 A 19 ALA CA C 13 55.635 0.3 A 19 ALA CB C 13 18.502 0.3 A 19 ALA N N 15 122.812 0.3 A 20 THR H H 1 8.255 0.020 A 20 THR HA H 1 3.873 0.020 A 20 THR HB H 1 4.378 0.020 A 20 THR HG2% H 1 1.120 0.020 A 20 THR C C 13 176.492 0.3 A 20 THR CA C 13 66.607 0.3 A 20 THR CB C 13 68.588 0.3 A 20 THR CG2 C 13 22.020 0.3 A 20 THR N N 15 111.088 0.3 A 21 GLN H H 1 7.873 0.020 A 21 GLN HA H 1 4.183 0.020 A 21 GLN HB2 H 1 2.097 0.020 A 21 GLN HB3 H 1 2.097 0.020 A 21 GLN HGy H 1 2.387 0.020 A 21 GLN HGx H 1 2.297 0.020 A 21 GLN C C 13 178.385 0.3 A 21 GLN CA C 13 59.134 0.3 A 21 GLN CB C 13 28.849 0.3 A 21 GLN CG C 13 34.179 0.3 A 21 GLN N N 15 121.477 0.3 A 22 ARG H H 1 8.112 0.020 A 22 ARG C C 13 179.485 0.3 A 22 ARG CA C 13 59.134 0.3 A 22 ARG CB C 13 30.155 0.3 A 22 ARG N N 15 119.063 0.3 A 23 LEU H H 1 8.216 0.020 A 23 LEU C C 13 177.900 0.3 A 23 LEU CA C 13 58.081 0.3 A 23 LEU CB C 13 41.702 0.3 A 23 LEU N N 15 120.542 0.3 A 24 ALA H H 1 8.529 0.020 A 24 ALA C C 13 179.067 0.3 A 24 ALA CA C 13 55.839 0.3 A 24 ALA CB C 13 18.201 0.3 A 24 ALA N N 15 121.002 0.3 A 25 ASN H H 1 8.214 0.020 A 25 ASN C C 13 177.361 0.3 A 25 ASN CA C 13 56.144 0.3 A 25 ASN CB C 13 38.627 0.3 A 25 ASN N N 15 114.787 0.3 A 26 PHE H H 1 8.051 0.020 A 26 PHE C C 13 177.736 0.3 A 26 PHE CA C 13 60.900 0.3 A 26 PHE CB C 13 39.439 0.3 A 26 PHE N N 15 120.227 0.3 A 27 LEU H H 1 8.407 0.020 A 27 LEU C C 13 178.451 0.3 A 27 LEU CA C 13 57.673 0.3 A 27 LEU CB C 13 41.644 0.3 A 27 LEU N N 15 119.702 0.3 A 28 VAL H H 1 8.081 0.020 A 28 VAL C C 13 177.680 0.3 A 28 VAL CA C 13 65.656 0.3 A 28 VAL CB C 13 31.837 0.3 A 28 VAL N N 15 117.002 0.3 A 29 HIS H H 1 7.868 0.020 A 29 HIS C C 13 177.075 0.3 A 29 HIS CA C 13 58.454 0.3 A 29 HIS CB C 13 30.561 0.3 A 29 HIS N N 15 118.260 0.3 A 30 SER H H 1 7.927 0.020 A 30 SER C C 13 174.963 0.3 A 30 SER CA C 13 60.322 0.3 A 30 SER CB C 13 63.636 0.3 A 30 SER N N 15 114.931 0.3 A 31 SER H H 1 7.996 0.020 A 31 SER C C 13 175.106 0.3 A 31 SER CA C 13 60.119 0.3 A 31 SER CB C 13 63.288 0.3 A 31 SER N N 15 116.255 0.3 A 32 ASN H H 1 8.099 0.020 A 32 ASN C C 13 175.733 0.3 A 32 ASN CA C 13 54.579 0.3 A 32 ASN CB C 13 38.685 0.3 A 32 ASN N N 15 119.571 0.3 A 33 ASN H H 1 8.133 0.020 A 33 ASN C C 13 175.810 0.3 A 33 ASN CA C 13 53.868 0.3 A 33 ASN CB C 13 38.801 0.3 A 33 ASN N N 15 117.356 0.3 A 34 PHE H H 1 8.257 0.020 A 34 PHE C C 13 176.965 0.3 A 34 PHE CA C 13 59.847 0.3 A 34 PHE CB C 13 38.975 0.3 A 34 PHE N N 15 119.584 0.3 A 35 GLY H H 1 8.627 0.020 A 35 GLY HA2 H 1 4.119 0.020 A 35 GLY HA3 H 1 4.119 0.020 A 35 GLY C C 13 175.315 0.3 A 35 GLY CA C 13 47.007 0.3 A 35 GLY N N 15 107.077 0.3 A 36 ALA H H 1 7.903 0.020 A 36 ALA C C 13 179.595 0.3 A 36 ALA CA C 13 53.902 0.3 A 36 ALA CB C 13 18.607 0.3 A 36 ALA N N 15 123.018 0.3 A 37 ILE H H 1 7.796 0.020 A 37 ILE C C 13 177.196 0.3 A 37 ILE CA C 13 63.482 0.3 A 37 ILE CB C 13 38.279 0.3 A 37 ILE N N 15 117.775 0.3 A 38 LEU H H 1 7.929 0.020 A 38 LEU C C 13 177.768 0.3 A 38 LEU CA C 13 56.144 0.3 A 38 LEU CB C 13 41.760 0.3 A 38 LEU N N 15 119.309 0.3 A 39 SER H H 1 7.951 0.020 A 39 SER C C 13 175.029 0.3 A 39 SER CA C 13 59.575 0.3 A 39 SER CB C 13 63.695 0.3 A 39 SER N N 15 113.175 0.3 A 40 SER H H 1 8.029 0.020 A 40 SER C C 13 174.655 0.3 A 40 SER CA C 13 59.303 0.3 A 40 SER CB C 13 63.927 0.3 A 40 SER N N 15 116.530 0.3 A 41 THR H H 1 7.856 0.020 A 41 THR C C 13 174.182 0.3 A 41 THR CA C 13 62.361 0.3 A 41 THR CB C 13 69.845 0.3 A 41 THR N N 15 114.105 0.3 A 42 ASN H H 1 8.437 0.020 A 42 ASN C C 13 175.359 0.3 A 42 ASN CA C 13 53.461 0.3 A 42 ASN CB C 13 38.801 0.3 A 42 ASN N N 15 120.344 0.3 A 43 VAL H H 1 8.069 0.020 A 43 VAL C C 13 176.316 0.3 A 43 VAL CA C 13 62.972 0.3 A 43 VAL CB C 13 32.302 0.3 A 43 VAL N N 15 119.076 0.3 A 44 GLY H H 1 8.452 0.020 A 44 GLY CA C 13 45.512 0.3 A 44 GLY N N 15 110.707 0.3 A 48 TYR H H 1 8.118 0.020 A 48 TYR C C 13 176.085 0.3 A 48 TYR CA C 13 58.454 0.3 A 48 TYR CB C 13 38.685 0.3 A 48 TYR N N 15 121.196 0.3 A 49 GLY H H 1 8.240 0.020 A 49 GLY C C 13 174.182 0.3 A 49 GLY CA C 13 45.546 0.3 A 49 GLY N N 15 108.755 0.3 A 50 LYS H H 1 8.209 0.020 A 50 LYS C C 13 176.921 0.3 A 50 LYS CA C 13 57.195 0.3 A 50 LYS CB C 13 32.766 0.3 A 50 LYS N N 15 120.621 0.3 A 51 ARG H H 1 8.348 0.020 A 51 ARG CA C 13 57.741 0.3 A 51 ARG N N 15 120.110 0.3 A 53 ALA H H 1 8.259 0.020 A 53 ALA HB% H 1 1.291 0.020 A 53 ALA C C 13 177.889 0.3 A 53 ALA CA C 13 54.276 0.3 A 53 ALA CB C 13 19.013 0.3 A 53 ALA N N 15 122.728 0.3 A 54 VAL H H 1 7.960 0.020 A 54 VAL C C 13 176.778 0.3 A 54 VAL CA C 13 64.467 0.3 A 54 VAL CB C 13 31.837 0.3 A 54 VAL N N 15 116.137 0.3 A 55 GLU H H 1 7.942 0.020 A 55 GLU C C 13 178.077 0.3 A 55 GLU CA C 13 58.250 0.3 A 55 GLU CB C 13 29.748 0.3 A 55 GLU N N 15 120.187 0.3 A 56 VAL H H 1 7.839 0.020 A 56 VAL CA C 13 64.713 0.3 A 56 VAL CB C 13 32.244 0.3 A 56 VAL N N 15 118.706 0.3 A 57 LEU H H 1 7.936 0.020 A 57 LEU C C 13 177.086 0.3 A 57 LEU CA C 13 56.483 0.3 A 57 LEU CB C 13 41.818 0.3 A 57 LEU N N 15 121.065 0.3 A 58 LYS H H 1 7.859 0.020 A 58 LYS C C 13 176.558 0.3 A 58 LYS CA C 13 57.341 0.3 A 58 LYS CB C 13 32.940 0.3 A 58 LYS N N 15 116.945 0.3 A 59 ARG H H 1 7.822 0.020 A 59 ARG C C 13 176.118 0.3 A 59 ARG CA C 13 56.450 0.3 A 59 ARG CB C 13 31.199 0.3 A 59 ARG N N 15 119.035 0.3 A 60 GLU H H 1 8.297 0.020 A 60 GLU CA C 13 55.567 0.3 A 60 GLU N N 15 120.017 0.3 A 61 PRO C C 13 177.240 0.3 A 61 PRO CA C 13 64.603 0.3 A 61 PRO CB C 13 31.837 0.3 A 62 LEU H H 1 8.223 0.020 A 62 LEU CA C 13 56.110 0.3 A 62 LEU N N 15 117.330 0.3 A 64 TYR H H 1 7.799 0.020 A 64 TYR C C 13 174.798 0.3 A 64 TYR CA C 13 58.386 0.3 A 64 TYR CB C 13 39.265 0.3 A 64 TYR N N 15 118.058 0.3 A 65 LEU H H 1 7.636 0.020 A 65 LEU CA C 13 52.883 0.3 A 65 LEU N N 15 120.738 0.3 A 66 PRO C C 13 175.755 0.3 A 66 PRO CA C 13 62.972 0.3 A 66 PRO CB C 13 30.677 0.3 A 67 LEU H H 1 7.929 0.020 A 67 LEU C C 13 176.910 0.3 A 67 LEU CA C 13 54.887 0.3 A 67 LEU CB C 13 42.631 0.3 A 67 LEU N N 15 120.926 0.3 A 68 LYS H H 1 8.249 0.020 A 68 LYS C C 13 176.206 0.3 A 68 LYS CA C 13 56.042 0.3 A 68 LYS CB C 13 33.172 0.3 A 68 LYS N N 15 121.337 0.3 A 69 LYS H H 1 8.309 0.020 A 69 LYS C C 13 176.250 0.3 A 69 LYS CA C 13 56.151 0.3 A 69 LYS CB C 13 33.288 0.3 A 69 LYS N N 15 123.227 0.3 A 70 LYS H H 1 8.337 0.020 A 70 LYS CA C 13 56.267 0.3 A 70 LYS CB C 13 33.390 0.3 A 70 LYS N N 15 123.548 0.3 A 71 LYS H H 1 8.352 0.020 A 71 LYS C C 13 175.139 0.3 A 71 LYS CA C 13 56.348 0.3 A 71 LYS CB C 13 33.230 0.3 A 71 LYS N N 15 123.720 0.3 A 72 ASP H H 1 7.959 0.020 A 72 ASP N N 15 127.514 0.3 stop_ save_ save_assigned_chemical_shifts_2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_2 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 PRO HA H 1 4.421 0.020 A 2 PRO HB2 H 1 1.883 0.020 A 2 PRO HB3 H 1 1.883 0.020 A 2 PRO HDx H 1 3.692 0.020 A 2 PRO HDy H 1 3.862 0.020 A 2 PRO HG2 H 1 1.983 0.020 A 2 PRO HG3 H 1 1.983 0.020 A 2 PRO C C 13 176.500 0.3 A 2 PRO CA C 13 63.392 0.3 A 2 PRO CB C 13 32.120 0.3 A 2 PRO CD C 13 50.989 0.3 A 2 PRO CG C 13 27.244 0.3 A 3 ILE H H 1 8.187 0.020 A 3 ILE HA H 1 4.051 0.020 A 3 ILE HB H 1 1.885 0.020 A 3 ILE HD1% H 1 0.674 0.020 A 3 ILE HG2% H 1 0.886 0.020 A 3 ILE C C 13 176.266 0.3 A 3 ILE CA C 13 61.537 0.3 A 3 ILE CB C 13 38.728 0.3 A 3 ILE CD1 C 13 12.910 0.3 A 3 ILE CG1 C 13 27.157 0.3 A 3 ILE CG2 C 13 17.486 0.3 A 3 ILE N N 15 121.049 0.3 A 4 GLU H H 1 8.360 0.020 A 4 GLU HA H 1 4.294 0.020 A 4 GLU HBy H 1 1.978 0.020 A 4 GLU HBx H 1 1.898 0.020 A 4 GLU C C 13 176.132 0.3 A 4 GLU CA C 13 56.225 0.3 A 4 GLU CB C 13 30.016 0.3 A 4 GLU CG C 13 35.533 0.3 A 4 GLU N N 15 124.832 0.3 A 5 SER H H 1 8.252 0.020 A 5 SER HA H 1 4.349 0.020 A 5 SER HB2 H 1 3.792 0.020 A 5 SER HB3 H 1 3.792 0.020 A 5 SER C C 13 174.468 0.3 A 5 SER CA C 13 58.399 0.3 A 5 SER CB C 13 63.812 0.3 A 5 SER N N 15 117.142 0.3 A 6 HIS H H 1 8.511 0.020 A 6 HIS HA H 1 4.743 0.020 A 6 HIS HBy H 1 3.275 0.020 A 6 HIS HBx H 1 3.142 0.020 A 6 HIS C C 13 174.216 0.3 A 6 HIS CA C 13 55.351 0.3 A 6 HIS CB C 13 28.831 0.3 A 6 HIS N N 15 120.257 0.3 A 7 GLN H H 1 8.332 0.020 A 7 GLN HA H 1 4.320 0.020 A 7 GLN HB2 H 1 1.943 0.020 A 7 GLN HB3 H 1 1.943 0.020 A 7 GLN HG2 H 1 2.310 0.020 A 7 GLN HG3 H 1 2.310 0.020 A 7 GLN C C 13 175.889 0.3 A 7 GLN CA C 13 56.047 0.3 A 7 GLN CB C 13 29.226 0.3 A 7 GLN CG C 13 33.720 0.3 A 7 GLN N N 15 121.449 0.3 A 8 VAL H H 1 8.163 0.020 A 8 VAL HA H 1 4.041 0.020 A 8 VAL HB H 1 2.033 0.020 A 8 VAL HG1% H 1 0.904 0.020 A 8 VAL HG2% H 1 0.904 0.020 A 8 VAL C C 13 176.060 0.3 A 8 VAL CA C 13 62.535 0.3 A 8 VAL CB C 13 32.555 0.3 A 8 VAL CG1 C 13 21.026 0.3 A 8 VAL CG2 C 13 20.767 0.3 A 8 VAL N N 15 121.529 0.3 A 9 GLU H H 1 8.410 0.020 A 9 GLU HA H 1 4.259 0.020 A 9 GLU HBy H 1 2.005 0.020 A 9 GLU HBx H 1 1.935 0.020 A 9 GLU HG2 H 1 2.270 0.020 A 9 GLU HG3 H 1 2.270 0.020 A 9 GLU C C 13 176.437 0.3 A 9 GLU CA C 13 56.361 0.3 A 9 GLU CB C 13 30.129 0.3 A 9 GLU CG C 13 35.630 0.3 A 9 GLU N N 15 124.716 0.3 A 10 LYS H H 1 8.264 0.020 A 10 LYS HA H 1 4.264 0.020 A 10 LYS HB2 H 1 1.751 0.020 A 10 LYS HB3 H 1 1.751 0.020 A 10 LYS HD2 H 1 1.616 0.020 A 10 LYS HD3 H 1 1.616 0.020 A 10 LYS HG2 H 1 1.426 0.020 A 10 LYS HG3 H 1 1.426 0.020 A 10 LYS CA C 13 56.090 0.3 A 10 LYS CB C 13 33.115 0.3 A 10 LYS CD C 13 29.057 0.3 A 10 LYS CE C 13 42.009 0.3 A 10 LYS CG C 13 24.653 0.3 A 10 LYS N N 15 122.088 0.3 A 11 ARG HA H 1 4.295 0.020 A 11 ARG HD2 H 1 3.172 0.020 A 11 ARG HD3 H 1 3.172 0.020 A 11 ARG C C 13 176.132 0.3 A 11 ARG CA C 13 56.334 0.3 A 11 ARG CB C 13 30.676 0.3 A 11 ARG CD C 13 43.304 0.3 A 11 ARG CG C 13 26.812 0.3 A 12 LYS H H 1 8.345 0.020 A 12 LYS HA H 1 4.270 0.020 A 12 LYS HB2 H 1 1.731 0.020 A 12 LYS HB3 H 1 1.731 0.020 A 12 LYS HD2 H 1 1.628 0.020 A 12 LYS HD3 H 1 1.628 0.020 A 12 LYS HG2 H 1 1.403 0.020 A 12 LYS HG3 H 1 1.403 0.020 A 12 LYS C C 13 176.069 0.3 A 12 LYS CA C 13 56.167 0.3 A 12 LYS CB C 13 33.232 0.3 A 12 LYS CD C 13 29.114 0.3 A 12 LYS CE C 13 41.923 0.3 A 12 LYS CG C 13 24.441 0.3 A 12 LYS N N 15 122.856 0.3 A 13 CYS H H 1 8.635 0.020 A 13 CYS HA H 1 4.766 0.020 A 13 CYS HB2 H 1 3.132 0.020 A 13 CYS HB3 H 1 3.132 0.020 A 13 CYS C C 13 173.866 0.3 A 13 CYS CA C 13 54.655 0.3 A 13 CYS CB C 13 40.541 0.3 A 13 CYS N N 15 121.231 0.3 A 14 ASN H H 1 8.638 0.020 A 14 ASN HA H 1 4.901 0.020 A 14 ASN HBx H 1 2.785 0.020 A 14 ASN HBy H 1 2.942 0.020 A 14 ASN C C 13 174.387 0.3 A 14 ASN CA C 13 52.498 0.3 A 14 ASN CB C 13 39.332 0.3 A 14 ASN N N 15 122.254 0.3 A 15 THR H H 1 7.470 0.020 A 15 THR HA H 1 4.550 0.020 A 15 THR HB H 1 4.658 0.020 A 15 THR HG2% H 1 1.283 0.020 A 15 THR C C 13 175.044 0.3 A 15 THR CA C 13 60.573 0.3 A 15 THR CB C 13 71.252 0.3 A 15 THR CG2 C 13 21.545 0.3 A 15 THR N N 15 108.594 0.3 A 16 ALA H H 1 9.374 0.020 A 16 ALA HA H 1 4.071 0.020 A 16 ALA HB% H 1 1.493 0.020 A 16 ALA C C 13 180.088 0.3 A 16 ALA CA C 13 55.376 0.3 A 16 ALA CB C 13 18.394 0.3 A 16 ALA N N 15 123.705 0.3 A 17 THR H H 1 8.288 0.020 A 17 THR HA H 1 4.011 0.020 A 17 THR HB H 1 4.111 0.020 A 17 THR HG2% H 1 1.213 0.020 A 17 THR C C 13 175.943 0.3 A 17 THR CA C 13 65.974 0.3 A 17 THR CB C 13 68.551 0.3 A 17 THR CG2 C 13 21.717 0.3 A 17 THR N N 15 112.791 0.3 A 18 CYS H H 1 7.997 0.020 A 18 CYS HA H 1 4.348 0.020 A 18 CYS HB2 H 1 3.242 0.020 A 18 CYS HB3 H 1 3.242 0.020 A 18 CYS C C 13 176.620 0.3 A 18 CYS CA C 13 58.740 0.3 A 18 CYS CB C 13 41.517 0.3 A 18 CYS N N 15 120.595 0.3 A 19 ALA H H 1 8.238 0.020 A 19 ALA HA H 1 4.009 0.020 A 19 ALA HB% H 1 1.475 0.020 A 19 ALA C C 13 179.144 0.3 A 19 ALA CA C 13 55.682 0.3 A 19 ALA CB C 13 18.534 0.3 A 19 ALA N N 15 122.854 0.3 A 20 THR H H 1 8.248 0.020 A 20 THR HA H 1 3.834 0.020 A 20 THR HB H 1 4.228 0.020 A 20 THR HG2% H 1 1.243 0.020 A 20 THR C C 13 176.545 0.3 A 20 THR CA C 13 66.823 0.3 A 20 THR CB C 13 68.345 0.3 A 20 THR CG2 C 13 22.149 0.3 A 20 THR N N 15 111.044 0.3 A 21 GLN H H 1 7.866 0.020 A 21 GLN HA H 1 4.029 0.020 A 21 GLN HBy H 1 2.245 0.020 A 21 GLN HBx H 1 2.155 0.020 A 21 GLN HE21 H 1 7.765 0.020 A 21 GLN HE22 H 1 7.520 0.020 A 21 GLN HGy H 1 2.520 0.020 A 21 GLN HGx H 1 2.385 0.020 A 21 GLN C C 13 178.496 0.3 A 21 GLN CA C 13 59.282 0.3 A 21 GLN CB C 13 28.411 0.3 A 21 GLN CG C 13 34.151 0.3 A 21 GLN N N 15 121.438 0.3 A 22 ARG H H 1 8.067 0.020 A 22 ARG HA H 1 4.151 0.020 A 22 ARG HBy H 1 2.013 0.020 A 22 ARG HBx H 1 1.900 0.020 A 22 ARG HD2 H 1 3.279 0.020 A 22 ARG HD3 H 1 3.279 0.020 A 22 ARG HG2 H 1 1.713 0.020 A 22 ARG HG3 H 1 1.713 0.020 A 22 ARG C C 13 179.593 0.3 A 22 ARG CA C 13 59.214 0.3 A 22 ARG CB C 13 30.438 0.3 A 22 ARG CD C 13 43.477 0.3 A 22 ARG CG C 13 27.244 0.3 A 22 ARG N N 15 119.279 0.3 A 23 LEU H H 1 8.195 0.020 A 23 LEU HA H 1 4.151 0.020 A 23 LEU HB2 H 1 1.875 0.020 A 23 LEU HBy H 1 1.875 0.020 A 23 LEU HBx H 1 1.691 0.020 A 23 LEU HD1% H 1 0.888 0.020 A 23 LEU HD2% H 1 0.888 0.020 A 23 LEU HG H 1 1.713 0.020 A 23 LEU C C 13 177.930 0.3 A 23 LEU CA C 13 58.128 0.3 A 23 LEU CB C 13 41.664 0.3 A 23 LEU CD1 C 13 24.998 0.3 A 23 LEU CD2 C 13 25.246 0.3 A 23 LEU CG C 13 27.124 0.3 A 23 LEU N N 15 120.659 0.3 A 24 ALA H H 1 8.521 0.020 A 24 ALA HA H 1 3.942 0.020 A 24 ALA HB% H 1 1.507 0.020 A 24 ALA C C 13 178.982 0.3 A 24 ALA CA C 13 55.928 0.3 A 24 ALA CB C 13 17.999 0.3 A 24 ALA N N 15 120.955 0.3 A 25 ASN H H 1 8.157 0.020 A 25 ASN HA H 1 4.401 0.020 A 25 ASN HBy H 1 2.917 0.020 A 25 ASN HBx H 1 2.832 0.020 A 25 ASN C C 13 177.480 0.3 A 25 ASN CA C 13 56.361 0.3 A 25 ASN CB C 13 38.705 0.3 A 25 ASN N N 15 114.703 0.3 A 26 PHE H H 1 7.998 0.020 A 26 PHE HA H 1 4.411 0.020 A 26 PHE HBy H 1 3.362 0.020 A 26 PHE HBx H 1 3.299 0.020 A 26 PHE HD1 H 1 7.226 0.020 A 26 PHE HD2 H 1 7.226 0.020 A 26 PHE C C 13 177.777 0.3 A 26 PHE CA C 13 60.913 0.3 A 26 PHE CB C 13 39.154 0.3 A 26 PHE N N 15 120.214 0.3 A 27 LEU H H 1 8.351 0.020 A 27 LEU HA H 1 3.893 0.020 A 27 LEU HBy H 1 2.014 0.020 A 27 LEU HBx H 1 1.933 0.020 A 27 LEU HD1% H 1 0.881 0.020 A 27 LEU HD2% H 1 0.881 0.020 A 27 LEU HG H 1 1.430 0.020 A 27 LEU C C 13 178.676 0.3 A 27 LEU CA C 13 57.810 0.3 A 27 LEU CB C 13 41.664 0.3 A 27 LEU CD1 C 13 26.213 0.3 A 27 LEU CD2 C 13 25.864 0.3 A 27 LEU CG C 13 26.984 0.3 A 27 LEU N N 15 119.319 0.3 A 28 VAL H H 1 8.080 0.020 A 28 VAL HA H 1 3.772 0.020 A 28 VAL HB H 1 2.063 0.020 A 28 VAL HGx% H 1 0.964 0.020 A 28 VAL HGy% H 1 0.774 0.020 A 28 VAL C C 13 177.444 0.3 A 28 VAL CA C 13 65.362 0.3 A 28 VAL CB C 13 31.878 0.3 A 28 VAL CG1 C 13 21.890 0.3 A 28 VAL CG2 C 13 21.372 0.3 A 28 VAL N N 15 115.971 0.3 A 29 HIS H H 1 7.799 0.020 A 29 HIS HA H 1 4.643 0.020 A 29 HIS HBy H 1 3.377 0.020 A 29 HIS HBx H 1 3.194 0.020 A 29 HIS HD2 H 1 7.346 0.020 A 29 HIS C C 13 175.529 0.3 A 29 HIS CA C 13 57.007 0.3 A 29 HIS CB C 13 28.380 0.3 A 29 HIS N N 15 116.357 0.3 A 30 SER H H 1 7.813 0.020 A 30 SER HA H 1 4.339 0.020 A 30 SER HB2 H 1 3.654 0.020 A 30 SER HB3 H 1 3.654 0.020 A 30 SER C C 13 174.630 0.3 A 30 SER CA C 13 59.792 0.3 A 30 SER CB C 13 63.643 0.3 A 30 SER N N 15 115.073 0.3 A 31 SER H H 1 7.981 0.020 A 31 SER HA H 1 4.091 0.020 A 31 SER HB2 H 1 3.822 0.020 A 31 SER HB3 H 1 3.822 0.020 A 31 SER C C 13 174.882 0.3 A 31 SER CA C 13 59.656 0.3 A 31 SER CB C 13 63.487 0.3 A 31 SER N N 15 116.335 0.3 A 32 ASN H H 1 8.175 0.020 A 32 ASN HA H 1 4.551 0.020 A 32 ASN HB2 H 1 2.615 0.020 A 32 ASN HB3 H 1 2.615 0.020 A 32 ASN HD22 H 1 7.469 0.020 A 32 ASN C C 13 175.502 0.3 A 32 ASN CA C 13 54.459 0.3 A 32 ASN CB C 13 38.705 0.3 A 32 ASN N N 15 119.795 0.3 A 33 ASN H H 1 8.204 0.020 A 33 ASN HA H 1 4.701 0.020 A 33 ASN HB2 H 1 2.762 0.020 A 33 ASN HB3 H 1 2.762 0.020 A 33 ASN HD21 H 1 7.524 0.020 A 33 ASN HD22 H 1 6.862 0.020 A 33 ASN C C 13 175.862 0.3 A 33 ASN CA C 13 53.754 0.3 A 33 ASN CB C 13 38.592 0.3 A 33 ASN N N 15 117.582 0.3 A 34 PHE H H 1 8.273 0.020 A 34 PHE HA H 1 4.390 0.020 A 34 PHE HB2 H 1 3.122 0.020 A 34 PHE HB3 H 1 3.122 0.020 A 34 PHE HD1 H 1 7.194 0.020 A 34 PHE HD2 H 1 7.194 0.020 A 34 PHE C C 13 177.031 0.3 A 34 PHE CA C 13 59.928 0.3 A 34 PHE CB C 13 38.684 0.3 A 34 PHE N N 15 119.698 0.3 A 35 GLY H H 1 8.618 0.020 A 35 GLY HAy H 1 3.958 0.020 A 35 GLY HAx H 1 3.709 0.020 A 35 GLY C C 13 175.358 0.3 A 35 GLY CA C 13 47.021 0.3 A 35 GLY N N 15 107.017 0.3 A 36 ALA H H 1 7.862 0.020 A 36 ALA HA H 1 4.234 0.020 A 36 ALA HB% H 1 1.441 0.020 A 36 ALA C C 13 179.656 0.3 A 36 ALA CA C 13 53.984 0.3 A 36 ALA CB C 13 18.507 0.3 A 36 ALA N N 15 122.996 0.3 A 37 ILE H H 1 7.763 0.020 A 37 ILE HA H 1 3.906 0.020 A 37 ILE HB H 1 1.953 0.020 A 37 ILE HD1% H 1 0.870 0.020 A 37 ILE HG1y H 1 1.650 0.020 A 37 ILE HG1x H 1 1.211 0.020 A 37 ILE HG2% H 1 0.890 0.020 A 37 ILE C C 13 177.229 0.3 A 37 ILE CA C 13 63.596 0.3 A 37 ILE CB C 13 38.254 0.3 A 37 ILE CD1 C 13 13.405 0.3 A 37 ILE CG1 C 13 28.372 0.3 A 37 ILE CG2 C 13 17.521 0.3 A 37 ILE N N 15 117.732 0.3 A 38 LEU H H 1 7.887 0.020 A 38 LEU HA H 1 4.191 0.020 A 38 LEU HB2 H 1 1.706 0.020 A 38 LEU HB3 H 1 1.706 0.020 A 38 LEU HD1% H 1 0.841 0.020 A 38 LEU HD2% H 1 0.841 0.020 A 38 LEU HG H 1 1.603 0.020 A 38 LEU C C 13 177.768 0.3 A 38 LEU CA C 13 56.259 0.3 A 38 LEU CB C 13 41.695 0.3 A 38 LEU CD1 C 13 25.453 0.3 A 38 LEU CD2 C 13 23.582 0.3 A 38 LEU CG C 13 28.798 0.3 A 38 LEU N N 15 119.247 0.3 A 39 SER H H 1 7.908 0.020 A 39 SER HA H 1 4.381 0.020 A 39 SER HB2 H 1 3.922 0.020 A 39 SER HB3 H 1 3.922 0.020 A 39 SER C C 13 175.116 0.3 A 39 SER CA C 13 59.622 0.3 A 39 SER CB C 13 63.586 0.3 A 39 SER N N 15 113.164 0.3 A 40 SER H H 1 8.003 0.020 A 40 SER HA H 1 4.481 0.020 A 40 SER HB2 H 1 3.959 0.020 A 40 SER HB3 H 1 3.959 0.020 A 40 SER C C 13 174.648 0.3 A 40 SER CA C 13 59.350 0.3 A 40 SER CB C 13 63.682 0.3 A 40 SER N N 15 116.436 0.3 A 41 THR H H 1 7.828 0.020 A 41 THR HA H 1 4.228 0.020 A 41 THR HB H 1 4.328 0.020 A 41 THR HG2% H 1 1.206 0.020 A 41 THR C C 13 174.189 0.3 A 41 THR CA C 13 62.509 0.3 A 41 THR CB C 13 69.468 0.3 A 41 THR CG2 C 13 21.545 0.3 A 41 THR N N 15 114.148 0.3 A 42 ASN H H 1 8.394 0.020 A 42 ASN HA H 1 4.751 0.020 A 42 ASN HBx H 1 2.742 0.020 A 42 ASN HBy H 1 2.882 0.020 A 42 ASN HD22 H 1 7.596 0.020 A 42 ASN C C 13 175.376 0.3 A 42 ASN CA C 13 53.534 0.3 A 42 ASN CB C 13 38.814 0.3 A 42 ASN N N 15 120.418 0.3 A 43 VAL H H 1 8.030 0.020 A 43 VAL HA H 1 4.054 0.020 A 43 VAL HB H 1 2.130 0.020 A 43 VAL HG1% H 1 0.932 0.020 A 43 VAL HG2% H 1 0.932 0.020 A 43 VAL C C 13 176.302 0.3 A 43 VAL CA C 13 63.053 0.3 A 43 VAL CB C 13 32.165 0.3 A 43 VAL CG1 C 13 21.286 0.3 A 43 VAL CG2 C 13 20.595 0.3 A 43 VAL N N 15 119.032 0.3 A 44 GLY H H 1 8.418 0.020 A 44 GLY HAy H 1 3.953 0.020 A 44 GLY HAx H 1 3.869 0.020 A 44 GLY C C 13 174.324 0.3 A 44 GLY CA C 13 45.526 0.3 A 44 GLY N N 15 110.575 0.3 A 45 SER H H 1 8.139 0.020 A 45 SER HA H 1 4.361 0.020 A 45 SER HBy H 1 3.954 0.020 A 45 SER HBx H 1 3.854 0.020 A 45 SER C C 13 174.684 0.3 A 45 SER CA C 13 58.841 0.3 A 45 SER CB C 13 63.682 0.3 A 45 SER N N 15 115.240 0.3 A 46 ASN H H 1 8.431 0.020 A 46 ASN HA H 1 4.713 0.020 A 46 ASN HB2 H 1 2.772 0.020 A 46 ASN HB3 H 1 2.772 0.020 A 46 ASN C C 13 175.394 0.3 A 46 ASN CA C 13 53.670 0.3 A 46 ASN CB C 13 38.555 0.3 A 46 ASN N N 15 120.095 0.3 A 47 THR H H 1 7.967 0.020 A 47 THR HA H 1 4.058 0.020 A 47 THR HB H 1 4.153 0.020 A 47 THR HG2% H 1 1.044 0.020 A 47 THR C C 13 174.468 0.3 A 47 THR CA C 13 62.917 0.3 A 47 THR CB C 13 69.468 0.3 A 47 THR CG2 C 13 21.572 0.3 A 47 THR N N 15 113.692 0.3 A 48 TYR H H 1 8.091 0.020 A 48 TYR HA H 1 4.501 0.020 A 48 TYR HBy H 1 3.024 0.020 A 48 TYR HBx H 1 2.920 0.020 A 48 TYR HD1 H 1 7.049 0.020 A 48 TYR HD2 H 1 7.049 0.020 A 48 TYR C C 13 175.961 0.3 A 48 TYR CA C 13 58.425 0.3 A 48 TYR CB C 13 38.728 0.3 A 48 TYR N N 15 121.148 0.3 A 49 GLY H H 1 8.211 0.020 A 49 GLY HA2 H 1 3.955 0.020 A 49 GLY HA3 H 1 3.955 0.020 A 49 GLY C C 13 174.279 0.3 A 49 GLY CA C 13 45.560 0.3 A 49 GLY N N 15 108.477 0.3 A 50 LYS H H 1 8.292 0.020 A 50 LYS HA H 1 4.141 0.020 A 50 LYS HB2 H 1 1.823 0.020 A 50 LYS HB3 H 1 1.823 0.020 A 50 LYS HD2 H 1 1.683 0.020 A 50 LYS HD3 H 1 1.683 0.020 A 50 LYS HGy H 1 1.467 0.020 A 50 LYS HGx H 1 1.426 0.020 A 50 LYS C C 13 177.121 0.3 A 50 LYS CA C 13 57.958 0.3 A 50 LYS CB C 13 32.942 0.3 A 50 LYS CD C 13 29.057 0.3 A 50 LYS CE C 13 41.664 0.3 A 50 LYS CG C 13 24.739 0.3 A 50 LYS N N 15 120.708 0.3 A 51 ARG H H 1 8.342 0.020 A 51 ARG HA H 1 4.149 0.020 A 51 ARG HB2 H 1 1.823 0.020 A 51 ARG HB3 H 1 1.823 0.020 A 51 ARG HD2 H 1 3.152 0.020 A 51 ARG HD3 H 1 3.152 0.020 A 51 ARG HG2 H 1 1.633 0.020 A 51 ARG HG3 H 1 1.633 0.020 A 51 ARG C C 13 177.022 0.3 A 51 ARG CA C 13 57.627 0.3 A 51 ARG CB C 13 30.093 0.3 A 51 ARG CD C 13 43.132 0.3 A 51 ARG CG C 13 26.898 0.3 A 51 ARG N N 15 119.418 0.3 A 52 ASN H H 1 8.221 0.020 A 52 ASN HA H 1 4.574 0.020 A 52 ASN HB2 H 1 2.775 0.020 A 52 ASN HB3 H 1 2.775 0.020 A 52 ASN HD21 H 1 7.715 0.020 A 52 ASN HD22 H 1 7.010 0.020 A 52 ASN C C 13 176.096 0.3 A 52 ASN CA C 13 54.740 0.3 A 52 ASN CB C 13 38.555 0.3 A 52 ASN N N 15 117.915 0.3 A 53 ALA H H 1 8.225 0.020 A 53 ALA HA H 1 4.051 0.020 A 53 ALA HB% H 1 1.433 0.020 A 53 ALA C C 13 178.425 0.3 A 53 ALA CA C 13 54.905 0.3 A 53 ALA CB C 13 18.868 0.3 A 53 ALA N N 15 122.304 0.3 A 54 VAL H H 1 7.936 0.020 A 54 VAL HA H 1 3.662 0.020 A 54 VAL HB H 1 2.173 0.020 A 54 VAL HGx% H 1 1.026 0.020 A 54 VAL HGy% H 1 0.944 0.020 A 54 VAL C C 13 176.986 0.3 A 54 VAL CA C 13 65.702 0.3 A 54 VAL CB C 13 31.647 0.3 A 54 VAL CG1 C 13 22.235 0.3 A 54 VAL CG2 C 13 21.458 0.3 A 54 VAL N N 15 115.713 0.3 A 55 GLU H H 1 7.814 0.020 A 55 GLU HA H 1 4.034 0.020 A 55 GLU HB2 H 1 2.097 0.020 A 55 GLU HB3 H 1 2.097 0.020 A 55 GLU HG2 H 1 2.365 0.020 A 55 GLU HG3 H 1 2.365 0.020 A 55 GLU C C 13 178.425 0.3 A 55 GLU CA C 13 58.569 0.3 A 55 GLU CB C 13 29.057 0.3 A 55 GLU CG C 13 35.619 0.3 A 55 GLU N N 15 119.107 0.3 A 56 VAL H H 1 7.735 0.020 A 56 VAL HA H 1 3.758 0.020 A 56 VAL HB H 1 2.153 0.020 A 56 VAL HGx% H 1 1.024 0.020 A 56 VAL HGy% H 1 0.933 0.020 A 56 VAL C C 13 177.543 0.3 A 56 VAL CA C 13 65.362 0.3 A 56 VAL CB C 13 31.734 0.3 A 56 VAL CG1 C 13 21.976 0.3 A 56 VAL CG2 C 13 21.372 0.3 A 56 VAL N N 15 118.183 0.3 A 57 LEU H H 1 7.867 0.020 A 57 LEU HA H 1 4.044 0.020 A 57 LEU HB2 H 1 1.563 0.020 A 57 LEU HB3 H 1 1.563 0.020 A 57 LEU HD1% H 1 0.854 0.020 A 57 LEU HD2% H 1 0.854 0.020 A 57 LEU HG H 1 1.793 0.020 A 57 LEU C C 13 177.687 0.3 A 57 LEU CA C 13 57.109 0.3 A 57 LEU CB C 13 41.750 0.3 A 57 LEU CD1 C 13 24.998 0.3 A 57 LEU CD2 C 13 23.444 0.3 A 57 LEU CG C 13 26.639 0.3 A 57 LEU N N 15 119.891 0.3 A 58 LYS H H 1 7.854 0.020 A 58 LYS HA H 1 4.061 0.020 A 58 LYS HB2 H 1 1.843 0.020 A 58 LYS HB3 H 1 1.843 0.020 A 58 LYS HDy H 1 1.643 0.020 A 58 LYS HDx H 1 1.576 0.020 A 58 LYS HG2 H 1 1.413 0.020 A 58 LYS HG3 H 1 1.413 0.020 A 58 LYS C C 13 176.797 0.3 A 58 LYS CA C 13 58.060 0.3 A 58 LYS CB C 13 32.770 0.3 A 58 LYS CD C 13 29.489 0.3 A 58 LYS CE C 13 41.836 0.3 A 58 LYS CG C 13 25.171 0.3 A 58 LYS N N 15 115.713 0.3 A 59 ARG H H 1 7.607 0.020 A 59 ARG HA H 1 4.325 0.020 A 59 ARG HBy H 1 1.938 0.020 A 59 ARG HBx H 1 1.853 0.020 A 59 ARG HG2 H 1 1.683 0.020 A 59 ARG HG3 H 1 1.683 0.020 A 59 ARG C C 13 176.455 0.3 A 59 ARG CA C 13 56.395 0.3 A 59 ARG CB C 13 30.611 0.3 A 59 ARG CD C 13 43.218 0.3 A 59 ARG CG C 13 26.984 0.3 A 59 ARG N N 15 117.088 0.3 A 60 GLU H H 1 8.022 0.020 A 60 GLU HA H 1 4.569 0.020 A 60 GLU HB2 H 1 2.070 0.020 A 60 GLU HB3 H 1 2.070 0.020 A 60 GLU HGx H 1 2.370 0.020 A 60 GLU HGy H 1 2.468 0.020 A 60 GLU C C 13 174.486 0.3 A 60 GLU CA C 13 55.411 0.3 A 60 GLU CB C 13 29.143 0.3 A 60 GLU CG C 13 33.979 0.3 A 60 GLU N N 15 119.301 0.3 A 61 PRO HA H 1 4.411 0.020 A 61 PRO HBy H 1 2.193 0.020 A 61 PRO HBx H 1 1.923 0.020 A 61 PRO HDy H 1 3.774 0.020 A 61 PRO HDx H 1 3.691 0.020 A 61 PRO HG2 H 1 2.030 0.020 A 61 PRO HG3 H 1 2.030 0.020 A 61 PRO C C 13 176.878 0.3 A 61 PRO CA C 13 64.348 0.3 A 61 PRO CB C 13 31.475 0.3 A 61 PRO CD C 13 50.385 0.3 A 61 PRO CG C 13 27.589 0.3 A 62 LEU H H 1 8.060 0.020 A 62 LEU HA H 1 4.175 0.020 A 62 LEU HB2 H 1 1.729 0.020 A 62 LEU HB3 H 1 1.729 0.020 A 62 LEU HDx% H 1 0.938 0.020 A 62 LEU HDy% H 1 0.858 0.020 A 62 LEU HG H 1 1.543 0.020 A 62 LEU C C 13 177.516 0.3 A 62 LEU CA C 13 55.988 0.3 A 62 LEU CB C 13 41.491 0.3 A 62 LEU CD1 C 13 24.739 0.3 A 62 LEU CD2 C 13 23.444 0.3 A 62 LEU CG C 13 26.898 0.3 A 62 LEU N N 15 118.001 0.3 A 63 ASN H H 1 8.105 0.020 A 63 ASN HA H 1 4.551 0.020 A 63 ASN HB2 H 1 2.672 0.020 A 63 ASN HB3 H 1 2.672 0.020 A 63 ASN HD21 H 1 6.807 0.020 A 63 ASN HD22 H 1 7.458 0.020 A 63 ASN C C 13 174.990 0.3 A 63 ASN CA C 13 53.916 0.3 A 63 ASN CB C 13 38.555 0.3 A 63 ASN N N 15 116.776 0.3 A 64 TYR H H 1 7.714 0.020 A 64 TYR HA H 1 4.551 0.020 A 64 TYR HBx H 1 2.870 0.020 A 64 TYR HBy H 1 3.072 0.020 A 64 TYR HD1 H 1 7.079 0.020 A 64 TYR HD2 H 1 7.079 0.020 A 64 TYR HE1 H 1 6.814 0.020 A 64 TYR HE2 H 1 6.814 0.020 A 64 TYR C C 13 174.783 0.3 A 64 TYR CA C 13 58.467 0.3 A 64 TYR CB C 13 38.728 0.3 A 64 TYR N N 15 117.732 0.3 A 65 LEU H H 1 7.610 0.020 A 65 LEU HA H 1 4.510 0.020 A 65 LEU HB2 H 1 1.432 0.020 A 65 LEU HB3 H 1 1.432 0.020 A 65 LEU HD1% H 1 0.911 0.020 A 65 LEU HD2% H 1 0.911 0.020 A 65 LEU HG H 1 1.704 0.020 A 65 LEU C C 13 175.309 0.3 A 65 LEU CA C 13 53.033 0.3 A 65 LEU CB C 13 42.009 0.3 A 65 LEU CD1 C 13 25.430 0.3 A 65 LEU CD2 C 13 23.617 0.3 A 65 LEU CG C 13 26.984 0.3 A 65 LEU N N 15 120.289 0.3 A 66 PRO HA H 1 4.437 0.020 A 66 PRO HBy H 1 2.144 0.020 A 66 PRO HBx H 1 2.012 0.020 A 66 PRO HDx H 1 3.432 0.020 A 66 PRO HDy H 1 3.753 0.020 A 66 PRO HG2 H 1 1.819 0.020 A 66 PRO HG3 H 1 1.819 0.020 A 66 PRO C C 13 175.790 0.3 A 66 PRO CA C 13 63.086 0.3 A 66 PRO CB C 13 30.697 0.3 A 66 PRO CD C 13 50.089 0.3 A 66 PRO CG C 13 27.330 0.3 A 67 LEU H H 1 7.861 0.020 A 67 LEU HA H 1 4.289 0.020 A 67 LEU HB2 H 1 1.589 0.020 A 67 LEU HB3 H 1 1.589 0.020 A 67 LEU HD1% H 1 0.891 0.020 A 67 LEU HD2% H 1 0.891 0.020 A 67 LEU HG H 1 1.574 0.020 A 67 LEU C C 13 176.932 0.3 A 67 LEU CA C 13 54.969 0.3 A 67 LEU CB C 13 42.527 0.3 A 67 LEU CD1 C 13 24.998 0.3 A 67 LEU CD2 C 13 23.444 0.3 A 67 LEU CG C 13 26.725 0.3 A 67 LEU N N 15 120.504 0.3 A 68 LYS H H 1 8.197 0.020 A 68 LYS HA H 1 4.281 0.020 A 68 LYS HBy H 1 1.790 0.020 A 68 LYS HBx H 1 1.716 0.020 A 68 LYS HD2 H 1 1.576 0.020 A 68 LYS HD3 H 1 1.576 0.020 A 68 LYS HG2 H 1 1.424 0.020 A 68 LYS HG3 H 1 1.424 0.020 A 68 LYS C C 13 176.222 0.3 A 68 LYS CA C 13 56.090 0.3 A 68 LYS CB C 13 33.115 0.3 A 68 LYS CD C 13 29.316 0.3 A 68 LYS CE C 13 42.009 0.3 A 68 LYS CG C 13 24.567 0.3 A 68 LYS N N 15 121.030 0.3 A 69 LYS H H 1 8.258 0.020 A 69 LYS HA H 1 4.274 0.020 A 69 LYS HBy H 1 1.775 0.020 A 69 LYS HBx H 1 1.705 0.020 A 69 LYS HD2 H 1 1.575 0.020 A 69 LYS HD3 H 1 1.575 0.020 A 69 LYS HE2 H 1 2.992 0.020 A 69 LYS HE3 H 1 2.992 0.020 A 69 LYS HG2 H 1 1.411 0.020 A 69 LYS HG3 H 1 1.411 0.020 A 69 LYS C C 13 176.258 0.3 A 69 LYS CA C 13 56.192 0.3 A 69 LYS CB C 13 33.115 0.3 A 69 LYS CD C 13 29.143 0.3 A 69 LYS CE C 13 42.009 0.3 A 69 LYS CG C 13 24.480 0.3 A 69 LYS N N 15 122.852 0.3 A 70 LYS H H 1 8.299 0.020 A 70 LYS HA H 1 4.259 0.020 A 70 LYS HBy H 1 1.776 0.020 A 70 LYS HBx H 1 1.726 0.020 A 70 LYS HD2 H 1 1.655 0.020 A 70 LYS HD3 H 1 1.655 0.020 A 70 LYS HG2 H 1 1.411 0.020 A 70 LYS HG3 H 1 1.411 0.020 A 70 LYS C C 13 176.114 0.3 A 70 LYS CA C 13 56.293 0.3 A 70 LYS CB C 13 33.115 0.3 A 70 LYS CD C 13 29.316 0.3 A 70 LYS CE C 13 42.009 0.3 A 70 LYS CG C 13 24.567 0.3 A 70 LYS N N 15 123.240 0.3 A 71 LYS H H 1 8.332 0.020 A 71 LYS HA H 1 4.269 0.020 A 71 LYS HBy H 1 1.813 0.020 A 71 LYS HBx H 1 1.726 0.020 A 71 LYS C C 13 175.241 0.3 A 71 LYS CA C 13 56.361 0.3 A 71 LYS CB C 13 33.029 0.3 A 71 LYS CD C 13 29.057 0.3 A 71 LYS CE C 13 41.923 0.3 A 71 LYS CG C 13 24.567 0.3 A 71 LYS N N 15 123.640 0.3 A 72 ASP H H 1 7.965 0.020 A 72 ASP HA H 1 4.289 0.020 A 72 ASP HB2 H 1 2.595 0.020 A 72 ASP HB3 H 1 2.595 0.020 A 72 ASP CA C 13 55.071 0.3 A 72 ASP CB C 13 41.956 0.3 A 72 ASP N N 15 126.551 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 PRO C A 3 ILE N A 3 ILE CA A 3 ILE C 1.0 -167.05 -47.05 PHI 2 2 A 3 ILE C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -155.09 -35.09 PHI 3 3 A 4 GLU C A 5 SER N A 5 SER CA A 5 SER C 1.0 -135.99 -15.99 PHI 4 4 A 5 SER C A 6 HIS N A 6 HIS CA A 6 HIS C 1.0 -163.26 -43.26 PHI 5 5 A 6 HIS C A 7 GLN N A 7 GLN CA A 7 GLN C 1.0 -136.29 -16.29 PHI 6 6 A 7 GLN C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -139.38 -19.38 PHI 7 7 A 8 VAL C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -149.81 -29.81 PHI 8 8 A 9 GLU C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -138.94 -18.94 PHI 9 9 A 10 LYS C A 11 ARG N A 11 ARG CA A 11 ARG C 1.0 -145.13 -25.13 PHI 10 10 A 11 ARG C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -126.09 -6.09 PHI 11 11 A 12 LYS C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -209.19 30.57 PHI 12 12 A 13 CYS C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 -126.39 -53.05 PHI 13 13 A 14 ASN C A 15 THR N A 15 THR CA A 15 THR C 1.0 -151.09 -40.41 PHI 14 14 A 15 THR C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -84.91 -44.91 PHI 15 15 A 16 ALA C A 17 THR N A 17 THR CA A 17 THR C 1.0 -88.53 -48.53 PHI 16 16 A 17 THR C A 18 CYS N A 18 CYS CA A 18 CYS C 1.0 -85.32 -45.32 PHI 17 17 A 18 CYS C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -85.31 -45.31 PHI 18 18 A 19 ALA C A 20 THR N A 20 THR CA A 20 THR C 1.0 -83.07 -43.07 PHI 19 19 A 20 THR C A 21 GLN N A 21 GLN CA A 21 GLN C 1.0 -82.61 -42.61 PHI 20 20 A 21 GLN C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -83.65 -43.65 PHI 21 21 A 22 ARG C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -83.75 -43.75 PHI 22 22 A 23 LEU C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -83.46 -43.46 PHI 23 23 A 24 ALA C A 25 ASN N A 25 ASN CA A 25 ASN C 1.0 -86.19 -46.19 PHI 24 24 A 25 ASN C A 26 PHE N A 26 PHE CA A 26 PHE C 1.0 -86.22 -46.22 PHI 25 25 A 26 PHE C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -85.52 -45.52 PHI 26 26 A 27 LEU C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -95.90 -50.38 PHI 27 27 A 28 VAL C A 29 HIS N A 29 HIS CA A 29 HIS C 1.0 -97.09 -49.55 PHI 28 28 A 29 HIS C A 30 SER N A 30 SER CA A 30 SER C 1.0 -118.13 -34.45 PHI 29 29 A 30 SER C A 31 SER N A 31 SER CA A 31 SER C 1.0 -86.57 -46.57 PHI 30 30 A 31 SER C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -87.21 -47.19 PHI 31 31 A 32 ASN C A 33 ASN N A 33 ASN CA A 33 ASN C 1.0 -85.29 -45.29 PHI 32 32 A 33 ASN C A 34 PHE N A 34 PHE CA A 34 PHE C 1.0 -81.51 -41.51 PHI 33 33 A 34 PHE C A 35 GLY N A 35 GLY CA A 35 GLY C 1.0 -84.27 -44.27 PHI 34 34 A 35 GLY C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -83.15 -43.15 PHI 35 35 A 36 ALA C A 37 ILE N A 37 ILE CA A 37 ILE C 1.0 -91.04 -51.04 PHI 36 36 A 37 ILE C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -84.95 -44.95 PHI 37 37 A 38 LEU C A 39 SER N A 39 SER CA A 39 SER C 1.0 -109.83 -34.37 PHI 38 38 A 39 SER C A 40 SER N A 40 SER CA A 40 SER C 1.0 -137.78 -17.78 PHI 39 39 A 40 SER C A 41 THR N A 41 THR CA A 41 THR C 1.0 -153.32 -33.32 PHI 40 40 A 41 THR C A 42 ASN N A 42 ASN CA A 42 ASN C 1.0 -135.02 -15.02 PHI 41 41 A 42 ASN C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -151.67 -31.67 PHI 42 42 A 43 VAL C A 44 GLY N A 44 GLY CA A 44 GLY C 1.0 28.42 148.42 PHI 43 43 A 44 GLY C A 45 SER N A 45 SER CA A 45 SER C 1.0 -132.56 -12.56 PHI 44 44 A 45 SER C A 46 ASN N A 46 ASN CA A 46 ASN C 1.0 -128.50 -8.50 PHI 45 45 A 46 ASN C A 47 THR N A 47 THR CA A 47 THR C 1.0 -134.99 -14.99 PHI 46 46 A 47 THR C A 48 TYR N A 48 TYR CA A 48 TYR C 1.0 -163.60 -43.60 PHI 47 47 A 48 TYR C A 49 GLY N A 49 GLY CA A 49 GLY C 1.0 -153.68 -33.68 PHI 48 48 A 49 GLY C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -80.85 -40.85 PHI 49 49 A 50 LYS C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -84.73 -44.73 PHI 50 50 A 51 ARG C A 52 ASN N A 52 ASN CA A 52 ASN C 1.0 -82.60 -42.60 PHI 51 51 A 52 ASN C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -83.78 -43.78 PHI 52 52 A 53 ALA C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -86.66 -46.66 PHI 53 53 A 54 VAL C A 55 GLU N A 55 GLU CA A 55 GLU C 1.0 -80.49 -40.49 PHI 54 54 A 55 GLU C A 56 VAL N A 56 VAL CA A 56 VAL C 1.0 -86.08 -46.08 PHI 55 55 A 56 VAL C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -83.67 -43.67 PHI 56 56 A 57 LEU C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -107.10 -38.76 PHI 57 57 A 58 LYS C A 59 ARG N A 59 ARG CA A 59 ARG C 1.0 -117.76 -59.64 PHI 58 58 A 59 ARG C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -141.14 -38.80 PHI 59 59 A 60 GLU C A 61 PRO N A 61 PRO CA A 61 PRO C 1.0 -81.69 -41.69 PHI 60 60 A 61 PRO C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -89.23 -49.23 PHI 61 61 A 62 LEU C A 63 ASN N A 63 ASN CA A 63 ASN C 1.0 -100.67 -46.69 PHI 62 62 A 63 ASN C A 64 TYR N A 64 TYR CA A 64 TYR C 1.0 -131.48 -75.00 PHI 63 63 A 64 TYR C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -172.36 -49.92 PHI 64 64 A 65 LEU C A 66 PRO N A 66 PRO CA A 66 PRO C 1.0 -130.47 -10.47 PHI 65 65 A 66 PRO C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -167.20 -47.20 PHI 66 66 A 3 ILE N A 3 ILE CA A 3 ILE C A 4 GLU N 1.0 63.50 183.50 PSI 67 67 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 SER N 1.0 55.66 175.66 PSI 68 68 A 5 SER N A 5 SER CA A 5 SER C A 6 HIS N 1.0 75.28 195.28 PSI 69 69 A 6 HIS N A 6 HIS CA A 6 HIS C A 7 GLN N 1.0 -58.13 61.87 PSI 70 70 A 7 GLN N A 7 GLN CA A 7 GLN C A 8 VAL N 1.0 77.65 197.65 PSI 71 71 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 GLU N 1.0 66.84 186.84 PSI 72 72 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 LYS N 1.0 57.95 177.95 PSI 73 73 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 ARG N 1.0 67.19 187.19 PSI 74 74 A 11 ARG N A 11 ARG CA A 11 ARG C A 12 LYS N 1.0 63.57 183.57 PSI 75 75 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 CYS N 1.0 76.57 196.57 PSI 76 76 A 13 CYS N A 13 CYS CA A 13 CYS C A 14 ASN N 1.0 69.30 156.38 PSI 77 77 A 14 ASN N A 14 ASN CA A 14 ASN C A 15 THR N 1.0 -74.38 30.18 PSI 78 78 A 15 THR N A 15 THR CA A 15 THR C A 16 ALA N 1.0 145.46 185.46 PSI 79 79 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 THR N 1.0 -53.89 -13.89 PSI 80 80 A 17 THR N A 17 THR CA A 17 THR C A 18 CYS N 1.0 -60.71 -20.71 PSI 81 81 A 18 CYS N A 18 CYS CA A 18 CYS C A 19 ALA N 1.0 -62.05 -22.05 PSI 82 82 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 THR N 1.0 -60.71 -20.71 PSI 83 83 A 20 THR N A 20 THR CA A 20 THR C A 21 GLN N 1.0 -60.50 -20.50 PSI 84 84 A 21 GLN N A 21 GLN CA A 21 GLN C A 22 ARG N 1.0 -66.65 -26.65 PSI 85 85 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 LEU N 1.0 -62.78 -22.78 PSI 86 86 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 ALA N 1.0 -61.56 -21.56 PSI 87 87 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 ASN N 1.0 -61.32 -21.32 PSI 88 88 A 25 ASN N A 25 ASN CA A 25 ASN C A 26 PHE N 1.0 -57.94 -17.94 PSI 89 89 A 26 PHE N A 26 PHE CA A 26 PHE C A 27 LEU N 1.0 -61.36 -21.36 PSI 90 90 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 VAL N 1.0 -61.55 -12.53 PSI 91 91 A 28 VAL N A 28 VAL CA A 28 VAL C A 29 HIS N 1.0 -58.88 -18.88 PSI 92 92 A 29 HIS N A 29 HIS CA A 29 HIS C A 30 SER N 1.0 -62.07 19.61 PSI 93 93 A 30 SER N A 30 SER CA A 30 SER C A 31 SER N 1.0 -70.32 18.62 PSI 94 94 A 31 SER N A 31 SER CA A 31 SER C A 32 ASN N 1.0 -58.77 -18.77 PSI 95 95 A 32 ASN N A 32 ASN CA A 32 ASN C A 33 ASN N 1.0 -63.03 -12.05 PSI 96 96 A 33 ASN N A 33 ASN CA A 33 ASN C A 34 PHE N 1.0 -63.48 -13.92 PSI 97 97 A 34 PHE N A 34 PHE CA A 34 PHE C A 35 GLY N 1.0 -57.91 -17.91 PSI 98 98 A 35 GLY N A 35 GLY CA A 35 GLY C A 36 ALA N 1.0 -62.11 -22.11 PSI 99 99 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 ILE N 1.0 -60.95 -20.95 PSI 100 100 A 37 ILE N A 37 ILE CA A 37 ILE C A 38 LEU N 1.0 -58.67 -15.31 PSI 101 101 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 SER N 1.0 -57.93 -1.11 PSI 102 102 A 39 SER N A 39 SER CA A 39 SER C A 40 SER N 1.0 -70.51 19.81 PSI 103 103 A 40 SER N A 40 SER CA A 40 SER C A 41 THR N 1.0 -84.27 35.73 PSI 104 104 A 41 THR N A 41 THR CA A 41 THR C A 42 ASN N 1.0 -71.14 48.86 PSI 105 105 A 42 ASN N A 42 ASN CA A 42 ASN C A 43 VAL N 1.0 -88.93 31.07 PSI 106 106 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 GLY N 1.0 -72.78 47.22 PSI 107 107 A 44 GLY N A 44 GLY CA A 44 GLY C A 45 SER N 1.0 -46.57 73.43 PSI 108 108 A 45 SER N A 45 SER CA A 45 SER C A 46 ASN N 1.0 -86.14 33.86 PSI 109 109 A 46 ASN N A 46 ASN CA A 46 ASN C A 47 THR N 1.0 -93.21 26.79 PSI 110 110 A 47 THR N A 47 THR CA A 47 THR C A 48 TYR N 1.0 -91.57 28.43 PSI 111 111 A 48 TYR N A 48 TYR CA A 48 TYR C A 49 GLY N 1.0 -58.50 61.50 PSI 112 112 A 49 GLY N A 49 GLY CA A 49 GLY C A 50 LYS N 1.0 102.72 222.72 PSI 113 113 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 ARG N 1.0 -54.94 -4.70 PSI 114 114 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 ASN N 1.0 -58.38 -12.76 PSI 115 115 A 52 ASN N A 52 ASN CA A 52 ASN C A 53 ALA N 1.0 -63.28 -23.28 PSI 116 116 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 VAL N 1.0 -55.56 -15.56 PSI 117 117 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 GLU N 1.0 -60.95 -20.95 PSI 118 118 A 55 GLU N A 55 GLU CA A 55 GLU C A 56 VAL N 1.0 -57.17 -17.17 PSI 119 119 A 56 VAL N A 56 VAL CA A 56 VAL C A 57 LEU N 1.0 -54.68 -14.68 PSI 120 120 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 LYS N 1.0 -56.08 -16.08 PSI 121 121 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 ARG N 1.0 -53.23 -13.23 PSI 122 122 A 59 ARG N A 59 ARG CA A 59 ARG C A 60 GLU N 1.0 -51.19 26.77 PSI 123 123 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 PRO N 1.0 53.59 175.97 PSI 124 124 A 61 PRO N A 61 PRO CA A 61 PRO C A 62 LEU N 1.0 -45.25 -5.25 PSI 125 125 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 ASN N 1.0 -42.37 -2.37 PSI 126 126 A 63 ASN N A 63 ASN CA A 63 ASN C A 64 TYR N 1.0 -45.02 -5.02 PSI 127 127 A 64 TYR N A 64 TYR CA A 64 TYR C A 65 LEU N 1.0 -47.84 47.76 PSI 128 128 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 PRO N 1.0 66.44 191.50 PSI 129 129 A 66 PRO N A 66 PRO CA A 66 PRO C A 67 LEU N 1.0 91.54 211.54 PSI 130 130 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 LYS N 1.0 66.69 186.69 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 13 CYS N A 13 CYS H 1.0 . . . 2 2 A 14 ASN N A 14 ASN H 1.0 . . . 3 3 A 15 THR N A 15 THR H 1.0 . . . 4 4 A 16 ALA N A 16 ALA H 1.0 . . . 5 5 A 17 THR N A 17 THR H 1.0 . . . 6 6 A 20 THR N A 20 THR H 1.0 . . . 7 7 A 21 GLN N A 21 GLN H 1.0 . . . 8 8 A 23 LEU N A 23 LEU H 1.0 . . . 9 9 A 24 ALA N A 24 ALA H 1.0 . . . 10 10 A 25 ASN N A 25 ASN H 1.0 . . . 11 11 A 28 VAL N A 28 VAL H 1.0 . . . 12 12 A 29 HIS N A 29 HIS H 1.0 . . . 13 13 A 30 SER N A 30 SER H 1.0 . . . 14 14 A 32 ASN N A 32 ASN H 1.0 . . . 15 15 A 33 ASN N A 33 ASN H 1.0 . . . 16 16 A 34 PHE N A 34 PHE H 1.0 . . . 17 17 A 35 GLY N A 35 GLY H 1.0 . . . 18 18 A 36 ALA N A 36 ALA H 1.0 . . . 19 19 A 38 LEU N A 38 LEU H 1.0 . . . 20 20 A 39 SER N A 39 SER H 1.0 . . . 21 21 A 52 ASN N A 52 ASN H 1.0 . . . 22 22 A 53 ALA N A 53 ALA H 1.0 . . . 23 23 A 54 VAL N A 54 VAL H 1.0 . . . 24 24 A 55 GLU N A 55 GLU H 1.0 . . . 25 25 A 56 VAL N A 56 VAL H 1.0 . . . 26 26 A 57 LEU N A 57 LEU H 1.0 . . . 27 27 A 58 LYS N A 58 LYS H 1.0 . . . 28 28 A 62 LEU N A 62 LEU H 1.0 . . . 29 29 A 63 ASN N A 63 ASN H 1.0 . . . 30 30 A 65 LEU N A 65 LEU H 1.0 . . . 31 31 A 13 CYS CA A 13 CYS HA 1.0 . . . 32 32 A 14 ASN CA A 14 ASN HA 1.0 . . . 33 33 A 16 ALA CA A 16 ALA HA 1.0 . . . 34 34 A 19 ALA CA A 19 ALA HA 1.0 . . . 35 35 A 20 THR CA A 20 THR HA 1.0 . . . 36 36 A 22 ARG CA A 22 ARG HA 1.0 . . . 37 37 A 25 ASN CA A 25 ASN HA 1.0 . . . 38 38 A 26 PHE CA A 26 PHE HA 1.0 . . . 39 39 A 27 LEU CA A 27 LEU HA 1.0 . . . 40 40 A 28 VAL CA A 28 VAL HA 1.0 . . . 41 41 A 29 HIS CA A 29 HIS HA 1.0 . . . 42 42 A 30 SER CA A 30 SER HA 1.0 . . . 43 43 A 31 SER CA A 31 SER HA 1.0 . . . 44 44 A 32 ASN CA A 32 ASN HA 1.0 . . . 45 45 A 33 ASN CA A 33 ASN HA 1.0 . . . 46 46 A 34 PHE CA A 34 PHE HA 1.0 . . . 47 47 A 35 GLY CA A 35 GLY HA2 1.0 . . . 48 47 A 35 GLY CA A 35 GLY HA3 1.0 . . . 49 48 A 36 ALA CA A 36 ALA HA 1.0 . . . 50 49 A 37 ILE CA A 37 ILE HA 1.0 . . . 51 50 A 38 LEU CA A 38 LEU HA 1.0 . . . 52 51 A 39 SER CA A 39 SER HA 1.0 . . . 53 52 A 51 ARG CA A 51 ARG HA 1.0 . . . 54 53 A 52 ASN CA A 52 ASN HA 1.0 . . . 55 54 A 53 ALA CA A 53 ALA HA 1.0 . . . 56 55 A 54 VAL CA A 54 VAL HA 1.0 . . . 57 56 A 55 GLU CA A 55 GLU HA 1.0 . . . 58 57 A 56 VAL CA A 56 VAL HA 1.0 . . . 59 58 A 57 LEU CA A 57 LEU HA 1.0 . . . 60 59 A 58 LYS CA A 58 LYS HA 1.0 . . . 61 60 A 59 ARG CA A 59 ARG HA 1.0 . . . 62 61 A 61 PRO CA A 61 PRO HA 1.0 . . . 63 62 A 62 LEU CA A 62 LEU HA 1.0 . . . 64 63 A 63 ASN CA A 63 ASN HA 1.0 . . . 65 64 A 64 TYR CA A 64 TYR HA 1.0 . . . 66 65 A 13 CYS N A 13 CYS H 1.0 . . . 67 66 A 14 ASN N A 14 ASN H 1.0 . . . 68 67 A 15 THR N A 15 THR H 1.0 . . . 69 68 A 16 ALA N A 16 ALA H 1.0 . . . 70 69 A 17 THR N A 17 THR H 1.0 . . . 71 70 A 20 THR N A 20 THR H 1.0 . . . 72 71 A 21 GLN N A 21 GLN H 1.0 . . . 73 72 A 23 LEU N A 23 LEU H 1.0 . . . 74 73 A 24 ALA N A 24 ALA H 1.0 . . . 75 74 A 25 ASN N A 25 ASN H 1.0 . . . 76 75 A 28 VAL N A 28 VAL H 1.0 . . . 77 76 A 29 HIS N A 29 HIS H 1.0 . . . 78 77 A 30 SER N A 30 SER H 1.0 . . . 79 78 A 32 ASN N A 32 ASN H 1.0 . . . 80 79 A 33 ASN N A 33 ASN H 1.0 . . . 81 80 A 34 PHE N A 34 PHE H 1.0 . . . 82 81 A 35 GLY N A 35 GLY H 1.0 . . . 83 82 A 36 ALA N A 36 ALA H 1.0 . . . 84 83 A 38 LEU N A 38 LEU H 1.0 . . . 85 84 A 39 SER N A 39 SER H 1.0 . . . 86 85 A 52 ASN N A 52 ASN H 1.0 . . . 87 86 A 53 ALA N A 53 ALA H 1.0 . . . 88 87 A 54 VAL N A 54 VAL H 1.0 . . . 89 88 A 55 GLU N A 55 GLU H 1.0 . . . 90 89 A 56 VAL N A 56 VAL H 1.0 . . . 91 90 A 57 LEU N A 57 LEU H 1.0 . . . 92 91 A 58 LYS N A 58 LYS H 1.0 . . . 93 92 A 62 LEU N A 62 LEU H 1.0 . . . 94 93 A 63 ASN N A 63 ASN H 1.0 . . . 95 94 A 65 LEU N A 65 LEU H 1.0 . . . 96 95 A 14 ASN N A 14 ASN H 1.0 . . . 97 96 A 15 THR N A 15 THR H 1.0 . . . 98 97 A 16 ALA N A 16 ALA H 1.0 . . . 99 98 A 17 THR N A 17 THR H 1.0 . . . 100 99 A 20 THR N A 20 THR H 1.0 . . . 101 100 A 24 ALA N A 24 ALA H 1.0 . . . 102 101 A 25 ASN N A 25 ASN H 1.0 . . . 103 102 A 28 VAL N A 28 VAL H 1.0 . . . 104 103 A 30 SER N A 30 SER H 1.0 . . . 105 104 A 32 ASN N A 32 ASN H 1.0 . . . 106 105 A 33 ASN N A 33 ASN H 1.0 . . . 107 106 A 34 PHE N A 34 PHE H 1.0 . . . 108 107 A 35 GLY N A 35 GLY H 1.0 . . . 109 108 A 36 ALA N A 36 ALA H 1.0 . . . 110 109 A 38 LEU N A 38 LEU H 1.0 . . . 111 110 A 39 SER N A 39 SER H 1.0 . . . 112 111 A 51 ARG N A 51 ARG H 1.0 . . . 113 112 A 52 ASN N A 52 ASN H 1.0 . . . 114 113 A 53 ALA N A 53 ALA H 1.0 . . . 115 114 A 54 VAL N A 54 VAL H 1.0 . . . 116 115 A 55 GLU N A 55 GLU H 1.0 . . . 117 116 A 56 VAL N A 56 VAL H 1.0 . . . 118 117 A 57 LEU N A 57 LEU H 1.0 . . . 119 118 A 58 LYS N A 58 LYS H 1.0 . . . 120 119 A 59 ARG N A 59 ARG H 1.0 . . . 121 120 A 62 LEU N A 62 LEU H 1.0 . . . 122 121 A 63 ASN N A 63 ASN H 1.0 . . . 123 122 A 65 LEU N A 65 LEU H 1.0 . . . 124 123 A 29 HIS CA A 29 HIS HA 1.0 . . . 125 124 A 31 SER CA A 31 SER HA 1.0 . . . 126 125 A 33 ASN CA A 33 ASN HA 1.0 . . . 127 126 A 34 PHE CA A 34 PHE HA 1.0 . . . 128 127 A 35 GLY CA A 35 GLY HA2 1.0 . . . 129 127 A 35 GLY CA A 35 GLY HA3 1.0 . . . 130 128 A 36 ALA CA A 36 ALA HA 1.0 . . . 131 129 A 37 ILE CA A 37 ILE HA 1.0 . . . 132 130 A 38 LEU CA A 38 LEU HA 1.0 . . . 133 131 A 39 SER CA A 39 SER HA 1.0 . . . 134 132 A 51 ARG CA A 51 ARG HA 1.0 . . . 135 133 A 53 ALA CA A 53 ALA HA 1.0 . . . 136 134 A 54 VAL CA A 54 VAL HA 1.0 . . . 137 135 A 55 GLU CA A 55 GLU HA 1.0 . . . 138 136 A 57 LEU CA A 57 LEU HA 1.0 . . . 139 137 A 58 LYS CA A 58 LYS HA 1.0 . . . 140 138 A 61 PRO CA A 61 PRO HA 1.0 . . . 141 139 A 62 LEU CA A 62 LEU HA 1.0 . . . 142 140 A 63 ASN CA A 63 ASN HA 1.0 . . . 143 141 A 64 TYR CA A 64 TYR HA 1.0 . . . stop_ save_