data_nef_c27433_6cuc save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . 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 3 CYS SG 1 17 CYS SG 1 10 CYS SG 1 24 CYS SG 1 16 CYS SG 1 32 CYS SG 1 47 CYS SG 1 61 CYS SG 1 54 CYS SG 1 66 CYS SG 1 60 CYS SG 1 74 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 GLY start . false 2 A 2 ASP middle . . 3 A 3 CYS middle -HG . 4 A 4 ALA middle . . 5 A 5 LYS middle . . 6 A 6 GLU middle . . 7 A 7 GLY middle . false 8 A 8 GLU middle . . 9 A 9 VAL middle . . 10 A 10 CYS middle -HG . 11 A 11 SER middle . . 12 A 12 TRP middle . . 13 A 13 GLY middle . false 14 A 14 LYS middle . . 15 A 15 LYS middle . . 16 A 16 CYS middle -HG . 17 A 17 CYS middle -HG . 18 A 18 ASP middle . . 19 A 19 LEU middle . . 20 A 20 ASP middle . . 21 A 21 ASN middle . . 22 A 22 PHE middle . . 23 A 23 TYR middle . . 24 A 24 CYS middle -HG . 25 A 25 PRO middle . false 26 A 26 MET middle . . 27 A 27 GLU middle . . 28 A 28 PHE middle . . 29 A 29 ILE middle . . 30 A 30 PRO middle . false 31 A 31 HIS middle . . 32 A 32 CYS middle -HG . 33 A 33 LYS middle . . 34 A 34 LYS middle . . 35 A 35 TYR middle . . 36 A 36 LYS middle . . 37 A 37 PRO middle . false 38 A 38 TYR middle . . 39 A 39 VAL middle . . 40 A 40 PRO middle . false 41 A 41 VAL middle . . 42 A 42 THR middle . . 43 A 43 THR middle . . 44 A 44 SER middle . . 45 A 45 PHE middle . . 46 A 46 ASN middle . . 47 A 47 CYS middle -HG . 48 A 48 ALA middle . . 49 A 49 LYS middle . . 50 A 50 GLU middle . . 51 A 51 GLY middle . false 52 A 52 GLU middle . . 53 A 53 VAL middle . . 54 A 54 CYS middle -HG . 55 A 55 GLY middle . false 56 A 56 TRP middle . . 57 A 57 GLY middle . false 58 A 58 SER middle . . 59 A 59 LYS middle . . 60 A 60 CYS middle -HG . 61 A 61 CYS middle -HG . 62 A 62 HIS middle . . 63 A 63 GLY middle . false 64 A 64 LEU middle . . 65 A 65 ASP middle . . 66 A 66 CYS middle -HG . 67 A 67 PRO middle . false 68 A 68 LEU middle . . 69 A 69 ALA middle . . 70 A 70 PHE middle . . 71 A 71 ILE middle . . 72 A 72 PRO middle . false 73 A 73 TYR middle . . 74 A 74 CYS middle -HG . 75 A 75 GLU middle . . 76 A 76 LYS middle . . 77 A 77 TYR middle . . 78 A 78 ARG middle . . 79 A 79 GLY middle . false 80 A 80 ARG middle . . 81 A 81 ASN middle . . 82 A 82 ASP 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 GLY HAx H 1 3.891 0.000 A 1 GLY HAy H 1 3.891 0.000 A 1 GLY CA C 13 43.274 0.000 A 2 ASP HA H 1 4.661 0.000 A 2 ASP HBy H 1 2.688 0.000 A 2 ASP HBx H 1 2.589 0.000 A 2 ASP C C 13 175.118 0.000 A 2 ASP CA C 13 54.730 0.000 A 2 ASP CB C 13 41.263 0.000 A 3 CYS H H 1 8.005 0.000 A 3 CYS HA H 1 4.971 0.000 A 3 CYS HBy H 1 3.171 0.000 A 3 CYS HBx H 1 2.968 0.000 A 3 CYS C C 13 172.720 0.000 A 3 CYS CA C 13 53.529 0.000 A 3 CYS CB C 13 43.215 0.000 A 3 CYS N N 15 114.923 0.001 A 4 ALA H H 1 9.233 0.000 A 4 ALA HA H 1 4.472 0.000 A 4 ALA HB% H 1 1.168 0.000 A 4 ALA C C 13 175.306 0.000 A 4 ALA CA C 13 51.140 0.000 A 4 ALA CB C 13 20.804 0.000 A 4 ALA N N 15 125.263 0.004 A 5 LYS H H 1 8.992 0.000 A 5 LYS HA H 1 3.867 0.000 A 5 LYS HBy H 1 1.825 0.000 A 5 LYS HBx H 1 1.383 0.000 A 5 LYS HGx H 1 1.264 0.000 A 5 LYS HGy H 1 1.474 0.000 A 5 LYS HDx H 1 1.629 0.000 A 5 LYS HDy H 1 1.629 0.000 A 5 LYS HEx H 1 2.968 0.000 A 5 LYS HEy H 1 2.968 0.000 A 5 LYS C C 13 175.028 0.000 A 5 LYS CA C 13 55.115 0.000 A 5 LYS CB C 13 33.240 0.000 A 5 LYS CG C 13 25.532 0.000 A 5 LYS CD C 13 29.336 0.000 A 5 LYS CE C 13 41.677 0.000 A 5 LYS N N 15 126.184 0.000 A 6 GLU H H 1 7.678 0.000 A 6 GLU HA H 1 3.219 0.000 A 6 GLU HBy H 1 1.731 0.000 A 6 GLU HBx H 1 1.587 0.000 A 6 GLU HGy H 1 2.231 0.000 A 6 GLU HGx H 1 2.157 0.000 A 6 GLU C C 13 177.233 0.000 A 6 GLU CA C 13 58.389 0.000 A 6 GLU CB C 13 29.247 0.000 A 6 GLU CG C 13 35.820 0.000 A 6 GLU N N 15 120.324 0.002 A 7 GLY H H 1 8.850 0.000 A 7 GLY HAy H 1 4.276 0.000 A 7 GLY HAx H 1 3.590 0.000 A 7 GLY C C 13 173.820 0.000 A 7 GLY CA C 13 45.660 0.000 A 7 GLY N N 15 113.486 0.007 A 8 GLU H H 1 8.238 0.000 A 8 GLU HA H 1 4.529 0.000 A 8 GLU HBy H 1 2.205 0.000 A 8 GLU HBx H 1 1.958 0.000 A 8 GLU HGy H 1 2.151 0.000 A 8 GLU HGx H 1 2.071 0.000 A 8 GLU C C 13 175.937 0.000 A 8 GLU CA C 13 55.455 0.000 A 8 GLU CB C 13 30.740 0.000 A 8 GLU CG C 13 37.440 0.000 A 8 GLU N N 15 121.342 0.003 A 9 VAL H H 1 8.222 0.000 A 9 VAL HA H 1 4.250 0.000 A 9 VAL HB H 1 1.751 0.000 A 9 VAL HGx% H 1 0.783 0.000 A 9 VAL HGy% H 1 0.729 0.000 A 9 VAL C C 13 175.318 0.000 A 9 VAL CA C 13 63.039 0.000 A 9 VAL CB C 13 31.778 0.000 A 9 VAL CGx C 13 21.094 0.000 A 9 VAL CGy C 13 22.200 0.000 A 9 VAL N N 15 120.799 0.004 A 10 CYS H H 1 7.771 0.000 A 10 CYS HA H 1 5.076 0.000 A 10 CYS HBy H 1 3.391 0.000 A 10 CYS HBx H 1 3.165 0.000 A 10 CYS C C 13 172.271 0.000 A 10 CYS CA C 13 52.401 0.000 A 10 CYS CB C 13 47.982 0.000 A 10 CYS N N 15 121.893 0.002 A 11 SER H H 1 8.348 0.000 A 11 SER HA H 1 4.525 0.000 A 11 SER HBy H 1 3.941 0.000 A 11 SER HBx H 1 3.793 0.000 A 11 SER C C 13 175.248 0.000 A 11 SER CA C 13 57.656 0.000 A 11 SER CB C 13 65.493 0.000 A 11 SER N N 15 112.634 0.000 A 12 TRP H H 1 8.620 0.000 A 12 TRP HA H 1 4.364 0.000 A 12 TRP HBx H 1 3.289 0.000 A 12 TRP HBy H 1 3.289 0.000 A 12 TRP HD1 H 1 7.269 0.001 A 12 TRP HE1 H 1 10.123 0.000 A 12 TRP HE3 H 1 7.509 0.000 A 12 TRP HZ2 H 1 7.442 0.001 A 12 TRP HZ3 H 1 7.102 0.000 A 12 TRP HH2 H 1 7.221 0.000 A 12 TRP C C 13 177.340 0.000 A 12 TRP CA C 13 59.665 0.000 A 12 TRP CB C 13 28.234 0.000 A 12 TRP CD1 C 13 128.224 0.000 A 12 TRP CE3 C 13 121.766 0.000 A 12 TRP CZ2 C 13 115.747 0.000 A 12 TRP CZ3 C 13 122.953 0.000 A 12 TRP CH2 C 13 125.684 0.000 A 12 TRP N N 15 120.612 0.001 A 12 TRP NE1 N 15 129.112 0.000 A 13 GLY H H 1 8.040 0.000 A 13 GLY HAy H 1 3.861 0.000 A 13 GLY HAx H 1 3.623 0.000 A 13 GLY C C 13 173.345 0.000 A 13 GLY CA C 13 44.865 0.000 A 13 GLY N N 15 104.849 0.001 A 14 LYS H H 1 7.465 0.000 A 14 LYS HA H 1 4.371 0.000 A 14 LYS HBy H 1 1.787 0.000 A 14 LYS HBx H 1 1.400 0.000 A 14 LYS HGx H 1 1.458 0.000 A 14 LYS HGy H 1 1.458 0.000 A 14 LYS HDy H 1 1.638 0.000 A 14 LYS HDx H 1 1.558 0.000 A 14 LYS HEx H 1 2.942 0.000 A 14 LYS HEy H 1 2.942 0.000 A 14 LYS C C 13 173.699 0.000 A 14 LYS CA C 13 55.535 0.000 A 14 LYS CB C 13 32.667 0.000 A 14 LYS CG C 13 25.186 0.000 A 14 LYS CD C 13 29.153 0.000 A 14 LYS CE C 13 42.302 0.000 A 14 LYS N N 15 125.302 0.002 A 15 LYS H H 1 8.261 0.000 A 15 LYS HA H 1 4.354 0.000 A 15 LYS HBy H 1 1.922 0.000 A 15 LYS HBx H 1 1.639 0.000 A 15 LYS HGx H 1 1.459 0.000 A 15 LYS HGy H 1 1.459 0.000 A 15 LYS HDx H 1 1.648 0.000 A 15 LYS HDy H 1 1.648 0.000 A 15 LYS HEx H 1 2.965 0.000 A 15 LYS HEy H 1 2.965 0.000 A 15 LYS C C 13 177.451 0.000 A 15 LYS CA C 13 55.230 0.000 A 15 LYS CB C 13 33.631 0.000 A 15 LYS CG C 13 24.890 0.000 A 15 LYS CD C 13 29.356 0.000 A 15 LYS CE C 13 42.000 0.000 A 15 LYS N N 15 123.572 0.001 A 16 CYS H H 1 8.835 0.000 A 16 CYS HA H 1 4.869 0.000 A 16 CYS HBy H 1 3.102 0.000 A 16 CYS HBx H 1 2.413 0.000 A 16 CYS C C 13 175.121 0.000 A 16 CYS CA C 13 56.857 0.000 A 16 CYS CB C 13 38.879 0.000 A 16 CYS N N 15 118.802 0.004 A 17 CYS H H 1 9.339 0.000 A 17 CYS HA H 1 4.352 0.000 A 17 CYS HBy H 1 3.166 0.000 A 17 CYS HBx H 1 2.384 0.000 A 17 CYS C C 13 174.498 0.000 A 17 CYS CA C 13 54.468 0.000 A 17 CYS CB C 13 40.156 0.000 A 17 CYS N N 15 121.343 0.006 A 18 ASP H H 1 8.493 0.000 A 18 ASP HA H 1 4.506 0.000 A 18 ASP HBy H 1 3.421 0.000 A 18 ASP HBx H 1 2.513 0.000 A 18 ASP C C 13 176.048 0.000 A 18 ASP CA C 13 53.943 0.000 A 18 ASP CB C 13 39.353 0.000 A 18 ASP N N 15 118.146 0.000 A 19 LEU H H 1 8.565 0.000 A 19 LEU HA H 1 4.863 0.000 A 19 LEU HBy H 1 1.821 0.000 A 19 LEU HBx H 1 1.757 0.000 A 19 LEU HG H 1 1.899 0.000 A 19 LEU HDx% H 1 1.011 0.000 A 19 LEU HDy% H 1 1.003 0.000 A 19 LEU C C 13 178.436 0.000 A 19 LEU CA C 13 56.430 0.000 A 19 LEU CB C 13 41.676 0.000 A 19 LEU CG C 13 26.770 0.000 A 19 LEU CDx C 13 24.200 0.000 A 19 LEU CDy C 13 26.060 0.000 A 19 LEU N N 15 122.554 0.003 A 20 ASP H H 1 8.266 0.000 A 20 ASP HA H 1 4.588 0.000 A 20 ASP HBx H 1 2.660 0.000 A 20 ASP HBy H 1 2.691 0.000 A 20 ASP C C 13 176.673 0.000 A 20 ASP CA C 13 56.714 0.000 A 20 ASP CB C 13 40.938 0.000 A 20 ASP N N 15 117.484 0.001 A 21 ASN H H 1 8.023 0.000 A 21 ASN HA H 1 4.871 0.000 A 21 ASN HBy H 1 2.557 0.000 A 21 ASN HBx H 1 2.163 0.000 A 21 ASN HD2x H 1 6.992 0.000 A 21 ASN HD2y H 1 8.834 0.002 A 21 ASN C C 13 173.481 0.000 A 21 ASN CA C 13 54.310 0.000 A 21 ASN CB C 13 43.141 0.000 A 21 ASN N N 15 114.460 0.000 A 21 ASN ND2 N 15 118.863 0.000 A 22 PHE H H 1 8.468 0.000 A 22 PHE HA H 1 5.356 0.000 A 22 PHE HBy H 1 3.090 0.000 A 22 PHE HBx H 1 2.663 0.000 A 22 PHE HDx H 1 7.253 0.000 A 22 PHE HDy H 1 7.253 0.000 A 22 PHE HEx H 1 7.321 0.000 A 22 PHE HEy H 1 7.321 0.000 A 22 PHE HZ H 1 7.253 0.000 A 22 PHE C C 13 173.465 0.000 A 22 PHE CA C 13 56.914 0.000 A 22 PHE CB C 13 43.024 0.000 A 22 PHE CDx C 13 130.207 0.000 A 22 PHE CDy C 13 130.207 0.000 A 22 PHE CEx C 13 131.099 0.000 A 22 PHE CEy C 13 131.099 0.000 A 22 PHE CZ C 13 130.207 0.000 A 22 PHE N N 15 120.747 0.002 A 23 TYR H H 1 9.218 0.000 A 23 TYR HA H 1 4.806 0.000 A 23 TYR HBx H 1 2.650 0.000 A 23 TYR HBy H 1 2.776 0.000 A 23 TYR HDx H 1 6.413 0.000 A 23 TYR HDy H 1 6.413 0.000 A 23 TYR HEx H 1 6.486 0.000 A 23 TYR HEy H 1 6.486 0.000 A 23 TYR C C 13 171.608 0.000 A 23 TYR CA C 13 54.716 0.000 A 23 TYR CB C 13 41.767 0.000 A 23 TYR CDx C 13 134.709 0.000 A 23 TYR CDy C 13 134.709 0.002 A 23 TYR CEx C 13 117.962 0.000 A 23 TYR CEy C 13 117.962 0.000 A 23 TYR N N 15 115.608 0.004 A 24 CYS H H 1 8.759 0.000 A 24 CYS HA H 1 5.052 0.000 A 24 CYS HBy H 1 3.157 0.000 A 24 CYS HBx H 1 3.065 0.000 A 24 CYS CA C 13 51.670 0.000 A 24 CYS CB C 13 41.125 0.000 A 24 CYS N N 15 122.481 0.000 A 25 PRO HA H 1 4.515 0.000 A 25 PRO HBy H 1 2.169 0.000 A 25 PRO HBx H 1 1.937 0.000 A 25 PRO HGx H 1 1.900 0.000 A 25 PRO HGy H 1 1.900 0.000 A 25 PRO HDy H 1 3.756 0.000 A 25 PRO HDx H 1 3.394 0.000 A 25 PRO C C 13 175.167 0.000 A 25 PRO CA C 13 62.641 0.000 A 25 PRO CB C 13 33.450 0.000 A 25 PRO CG C 13 27.174 0.000 A 25 PRO CD C 13 52.350 0.000 A 26 MET H H 1 8.553 0.000 A 26 MET HA H 1 4.523 0.000 A 26 MET HBy H 1 2.104 0.000 A 26 MET HBx H 1 1.946 0.000 A 26 MET HGx H 1 2.505 0.000 A 26 MET HGy H 1 2.573 0.000 A 26 MET HE% H 1 2.057 0.000 A 26 MET C C 13 174.933 0.000 A 26 MET CA C 13 54.573 0.000 A 26 MET CB C 13 30.471 0.000 A 26 MET CG C 13 32.020 0.000 A 26 MET CE C 13 16.991 0.000 A 26 MET N N 15 120.078 0.003 A 27 GLU H H 1 7.240 0.000 A 27 GLU HA H 1 4.519 0.000 A 27 GLU HBy H 1 2.135 0.000 A 27 GLU HBx H 1 1.502 0.000 A 27 GLU HGy H 1 2.205 0.000 A 27 GLU HGx H 1 1.955 0.000 A 27 GLU C C 13 175.157 0.000 A 27 GLU CA C 13 54.134 0.000 A 27 GLU CB C 13 33.780 0.000 A 27 GLU CG C 13 36.090 0.000 A 27 GLU N N 15 121.730 0.004 A 28 PHE H H 1 8.473 0.000 A 28 PHE HA H 1 4.340 0.000 A 28 PHE HBy H 1 3.188 0.000 A 28 PHE HBx H 1 3.040 0.000 A 28 PHE HDx H 1 7.288 0.000 A 28 PHE HDy H 1 7.288 0.000 A 28 PHE HEx H 1 7.322 0.000 A 28 PHE HEy H 1 7.322 0.000 A 28 PHE HZ H 1 7.288 0.000 A 28 PHE C C 13 176.653 0.000 A 28 PHE CA C 13 61.081 0.000 A 28 PHE CB C 13 38.906 0.000 A 28 PHE CDx C 13 130.895 0.000 A 28 PHE CDy C 13 130.895 0.000 A 28 PHE CEx C 13 130.895 0.000 A 28 PHE CEy C 13 130.895 0.000 A 28 PHE CZ C 13 130.895 0.000 A 28 PHE N N 15 121.477 0.008 A 29 ILE H H 1 8.165 0.000 A 29 ILE HA H 1 4.193 0.000 A 29 ILE HB H 1 1.861 0.000 A 29 ILE HG1x H 1 1.233 0.000 A 29 ILE HG1y H 1 1.233 0.000 A 29 ILE HG21 H 1 0.641 0.000 A 29 ILE HG22 H 1 0.641 0.000 A 29 ILE HG23 H 1 0.641 0.000 A 29 ILE HD11 H 1 0.795 0.000 A 29 ILE HD1% H 1 0.795 0.000 A 29 ILE CA C 13 58.880 0.000 A 29 ILE CB C 13 37.380 0.000 A 29 ILE CG1 C 13 26.700 0.000 A 29 ILE CG2 C 13 18.230 0.000 A 29 ILE CD1 C 13 13.000 0.000 A 29 ILE N N 15 118.309 0.000 A 30 PRO HA H 1 4.451 0.000 A 30 PRO HBy H 1 2.181 0.000 A 30 PRO HBx H 1 1.968 0.000 A 30 PRO HGx H 1 1.875 0.000 A 30 PRO HGy H 1 1.875 0.000 A 30 PRO HDx H 1 3.615 0.000 A 30 PRO HDy H 1 3.615 0.000 A 30 PRO C C 13 175.434 0.000 A 30 PRO CA C 13 62.680 0.000 A 30 PRO CB C 13 33.640 0.000 A 30 PRO CG C 13 27.150 0.000 A 30 PRO CD C 13 50.227 0.000 A 31 HIS H H 1 7.331 0.000 A 31 HIS HA H 1 5.124 0.000 A 31 HIS HBy H 1 2.807 0.000 A 31 HIS HBx H 1 2.469 0.000 A 31 HIS HD2 H 1 7.109 0.000 A 31 HIS HE1 H 1 8.444 0.000 A 31 HIS C C 13 174.348 0.000 A 31 HIS CA C 13 53.300 0.000 A 31 HIS CB C 13 31.004 0.000 A 31 HIS CD2 C 13 120.354 0.000 A 31 HIS CE1 C 13 137.366 0.000 A 31 HIS N N 15 114.334 0.001 A 32 CYS H H 1 8.141 0.000 A 32 CYS HA H 1 4.474 0.000 A 32 CYS HBx H 1 2.650 0.000 A 32 CYS HBy H 1 3.074 0.000 A 32 CYS C C 13 175.858 0.000 A 32 CYS CA C 13 58.950 0.000 A 32 CYS CB C 13 41.913 0.000 A 32 CYS N N 15 117.757 0.007 A 33 LYS H H 1 8.996 0.001 A 33 LYS HA H 1 4.872 0.000 A 33 LYS HBy H 1 1.560 0.000 A 33 LYS HBx H 1 1.343 0.000 A 33 LYS HGx H 1 1.373 0.000 A 33 LYS HGy H 1 1.373 0.000 A 33 LYS HDx H 1 1.644 0.000 A 33 LYS HDy H 1 1.644 0.000 A 33 LYS HEx H 1 3.041 0.000 A 33 LYS HEy H 1 3.041 0.000 A 33 LYS C C 13 174.055 0.000 A 33 LYS CA C 13 54.594 0.000 A 33 LYS CB C 13 36.687 0.000 A 33 LYS CG C 13 24.687 0.000 A 33 LYS CD C 13 29.356 0.000 A 33 LYS CE C 13 42.083 0.000 A 33 LYS N N 15 125.626 0.008 A 34 LYS H H 1 8.778 0.000 A 34 LYS HA H 1 4.249 0.000 A 34 LYS HBx H 1 1.565 0.000 A 34 LYS HBy H 1 1.674 0.000 A 34 LYS HGx H 1 1.247 0.000 A 34 LYS HGy H 1 1.247 0.000 A 34 LYS HDx H 1 1.559 0.000 A 34 LYS HDy H 1 1.559 0.000 A 34 LYS HEy H 1 2.942 0.000 A 34 LYS HEx H 1 2.883 0.000 A 34 LYS C C 13 177.776 0.000 A 34 LYS CA C 13 56.290 0.000 A 34 LYS CB C 13 33.840 0.000 A 34 LYS CG C 13 25.660 0.000 A 34 LYS CD C 13 29.356 0.000 A 34 LYS CE C 13 41.973 0.000 A 34 LYS N N 15 123.578 0.000 A 35 TYR H H 1 7.985 0.000 A 35 TYR HA H 1 4.470 0.000 A 35 TYR HBy H 1 2.870 0.000 A 35 TYR HBx H 1 2.674 0.000 A 35 TYR HDx H 1 6.766 0.000 A 35 TYR HDy H 1 6.766 0.000 A 35 TYR HEx H 1 6.516 0.000 A 35 TYR HEy H 1 6.516 0.000 A 35 TYR C C 13 175.526 0.000 A 35 TYR CA C 13 59.559 0.000 A 35 TYR CB C 13 39.460 0.000 A 35 TYR CDx C 13 133.949 0.000 A 35 TYR CDy C 13 133.949 0.000 A 35 TYR CEx C 13 119.271 0.000 A 35 TYR CEy C 13 119.271 0.000 A 35 TYR N N 15 123.132 0.007 A 36 LYS H H 1 8.156 0.000 A 36 LYS HA H 1 4.560 0.000 A 36 LYS HBy H 1 1.703 0.000 A 36 LYS HBx H 1 1.585 0.000 A 36 LYS HGx H 1 1.380 0.000 A 36 LYS HGy H 1 1.380 0.000 A 36 LYS HDx H 1 1.647 0.000 A 36 LYS HDy H 1 1.647 0.000 A 36 LYS HEx H 1 2.990 0.000 A 36 LYS HEy H 1 2.990 0.000 A 36 LYS CA C 13 53.595 0.000 A 36 LYS CB C 13 32.940 0.000 A 36 LYS CG C 13 24.484 0.000 A 36 LYS CD C 13 29.559 0.000 A 36 LYS CE C 13 42.500 0.000 A 36 LYS N N 15 122.435 0.001 A 37 PRO HA H 1 4.286 0.000 A 37 PRO HBx H 1 2.201 0.000 A 37 PRO HBy H 1 2.242 0.000 A 37 PRO HGx H 1 1.920 0.000 A 37 PRO HGy H 1 1.920 0.000 A 37 PRO HDx H 1 3.570 0.000 A 37 PRO HDy H 1 3.570 0.000 A 37 PRO C C 13 176.324 0.000 A 37 PRO CA C 13 63.023 0.000 A 37 PRO CB C 13 32.050 0.000 A 37 PRO CG C 13 27.680 0.000 A 37 PRO CD C 13 50.726 0.000 A 38 TYR H H 1 8.223 0.000 A 38 TYR HA H 1 4.478 0.000 A 38 TYR HBy H 1 3.008 0.000 A 38 TYR HBx H 1 2.842 0.000 A 38 TYR HDx H 1 7.047 0.000 A 38 TYR HDy H 1 7.047 0.000 A 38 TYR HEx H 1 6.765 0.000 A 38 TYR HEy H 1 6.765 0.000 A 38 TYR C C 13 175.028 0.000 A 38 TYR CA C 13 57.887 0.000 A 38 TYR CB C 13 38.650 0.000 A 38 TYR CDx C 13 134.002 0.000 A 38 TYR CDy C 13 134.002 0.000 A 38 TYR CEx C 13 119.101 0.000 A 38 TYR CEy C 13 119.101 0.000 A 38 TYR N N 15 120.843 0.008 A 39 VAL H H 1 7.769 0.000 A 39 VAL HA H 1 4.262 0.000 A 39 VAL HB H 1 1.884 0.000 A 39 VAL HGx% H 1 0.845 0.000 A 39 VAL HGy% H 1 0.814 0.000 A 39 VAL CA C 13 59.262 0.000 A 39 VAL CB C 13 33.040 0.000 A 39 VAL CGy C 13 21.100 0.000 A 39 VAL CGx C 13 20.430 0.000 A 39 VAL N N 15 126.086 0.001 A 40 PRO HA H 1 4.282 0.000 A 40 PRO HBy H 1 1.861 0.000 A 40 PRO HBx H 1 1.760 0.000 A 40 PRO HGx H 1 1.915 0.000 A 40 PRO HGy H 1 1.915 0.000 A 40 PRO HDx H 1 3.571 0.000 A 40 PRO HDy H 1 3.571 0.000 A 40 PRO C C 13 176.715 0.000 A 40 PRO CA C 13 62.600 0.000 A 40 PRO CB C 13 32.041 0.000 A 40 PRO CG C 13 26.894 0.000 A 40 PRO CD C 13 50.413 0.000 A 41 VAL H H 1 8.159 0.000 A 41 VAL HA H 1 4.133 0.000 A 41 VAL HB H 1 2.066 0.000 A 41 VAL HGx% H 1 0.923 0.000 A 41 VAL HGy% H 1 0.939 0.000 A 41 VAL C C 13 176.576 0.000 A 41 VAL CA C 13 62.340 0.000 A 41 VAL CB C 13 32.910 0.000 A 41 VAL CGy C 13 21.300 0.000 A 41 VAL CGx C 13 20.440 0.000 A 41 VAL N N 15 120.251 0.008 A 42 THR H H 1 8.229 0.000 A 42 THR HA H 1 4.426 0.000 A 42 THR HB H 1 4.197 0.000 A 42 THR HG2% H 1 1.152 0.000 A 42 THR C C 13 174.562 0.000 A 42 THR CA C 13 61.711 0.000 A 42 THR CB C 13 69.860 0.000 A 42 THR CG2 C 13 21.540 0.000 A 42 THR N N 15 117.854 0.000 A 43 THR H H 1 8.167 0.000 A 43 THR HA H 1 4.352 0.000 A 43 THR HB H 1 4.196 0.000 A 43 THR HG2% H 1 1.151 0.000 A 43 THR C C 13 174.286 0.000 A 43 THR CA C 13 61.683 0.014 A 43 THR CB C 13 69.870 0.000 A 43 THR CG2 C 13 21.380 0.000 A 43 THR N N 15 116.191 0.001 A 44 SER H H 1 8.224 0.000 A 44 SER HA H 1 4.424 0.000 A 44 SER HBx H 1 3.768 0.000 A 44 SER HBy H 1 3.768 0.000 A 44 SER C C 13 173.945 0.000 A 44 SER CA C 13 58.217 0.000 A 44 SER CB C 13 63.866 0.000 A 44 SER N N 15 117.627 0.004 A 45 PHE H H 1 8.224 0.000 A 45 PHE HA H 1 4.646 0.000 A 45 PHE HBy H 1 3.165 0.001 A 45 PHE HBx H 1 2.994 0.000 A 45 PHE HDx H 1 7.249 0.000 A 45 PHE HDy H 1 7.249 0.000 A 45 PHE HEx H 1 7.322 0.000 A 45 PHE HEy H 1 7.322 0.000 A 45 PHE HZ H 1 7.249 0.000 A 45 PHE C C 13 175.395 0.000 A 45 PHE CA C 13 57.696 0.000 A 45 PHE CB C 13 39.620 0.000 A 45 PHE CDx C 13 132.908 0.004 A 45 PHE CDy C 13 132.908 0.000 A 45 PHE CEx C 13 132.906 0.002 A 45 PHE CEy C 13 132.906 0.000 A 45 PHE CZ C 13 132.914 0.000 A 45 PHE N N 15 121.712 0.003 A 46 ASN H H 1 8.349 0.000 A 46 ASN HA H 1 4.730 0.000 A 46 ASN HBy H 1 2.772 0.000 A 46 ASN HBx H 1 2.678 0.000 A 46 ASN HD2y H 1 7.567 0.000 A 46 ASN HD2x H 1 6.903 0.001 A 46 ASN C C 13 174.061 0.000 A 46 ASN CA C 13 52.923 0.000 A 46 ASN CB C 13 38.928 0.000 A 46 ASN N N 15 120.550 0.006 A 46 ASN ND2 N 15 112.841 0.000 A 47 CYS H H 1 7.970 0.000 A 47 CYS HA H 1 4.812 0.000 A 47 CYS HBy H 1 3.087 0.000 A 47 CYS HBx H 1 2.992 0.000 A 47 CYS C C 13 172.342 0.000 A 47 CYS CA C 13 54.242 0.000 A 47 CYS CB C 13 42.921 0.000 A 47 CYS N N 15 116.724 0.001 A 48 ALA H H 1 8.960 0.000 A 48 ALA HA H 1 4.434 0.000 A 48 ALA HB% H 1 1.252 0.000 A 48 ALA C C 13 174.127 0.000 A 48 ALA CA C 13 51.995 0.000 A 48 ALA CB C 13 19.956 0.000 A 48 ALA N N 15 125.734 0.005 A 49 LYS H H 1 8.429 0.000 A 49 LYS HA H 1 4.045 0.000 A 49 LYS HBy H 1 1.923 0.000 A 49 LYS HBx H 1 1.458 0.000 A 49 LYS HGx H 1 1.386 0.000 A 49 LYS HGy H 1 1.571 0.000 A 49 LYS HDx H 1 1.649 0.000 A 49 LYS HDy H 1 1.649 0.000 A 49 LYS HEx H 1 2.972 0.000 A 49 LYS HEy H 1 2.972 0.000 A 49 LYS C C 13 175.349 0.000 A 49 LYS CA C 13 54.643 0.000 A 49 LYS CB C 13 33.857 0.000 A 49 LYS CG C 13 25.520 0.000 A 49 LYS CD C 13 29.263 0.000 A 49 LYS CE C 13 42.193 0.000 A 49 LYS N N 15 122.733 0.001 A 50 GLU H H 1 8.335 0.000 A 50 GLU HA H 1 3.468 0.000 A 50 GLU HBx H 1 1.863 0.000 A 50 GLU HBy H 1 1.863 0.000 A 50 GLU HGy H 1 2.224 0.000 A 50 GLU HGx H 1 2.120 0.000 A 50 GLU C C 13 177.595 0.000 A 50 GLU CA C 13 58.624 0.000 A 50 GLU CB C 13 29.465 0.000 A 50 GLU CG C 13 36.000 0.000 A 50 GLU N N 15 119.807 0.002 A 51 GLY H H 1 9.011 0.000 A 51 GLY HAy H 1 4.211 0.000 A 51 GLY HAx H 1 3.583 0.000 A 51 GLY C C 13 173.402 0.000 A 51 GLY CA C 13 45.607 0.000 A 51 GLY N N 15 113.078 0.000 A 52 GLU H H 1 8.159 0.000 A 52 GLU HA H 1 4.623 0.000 A 52 GLU HBx H 1 2.011 0.000 A 52 GLU HBy H 1 2.334 0.000 A 52 GLU HGy H 1 2.156 0.000 A 52 GLU HGx H 1 2.070 0.000 A 52 GLU C C 13 175.720 0.000 A 52 GLU CA C 13 55.235 0.000 A 52 GLU CB C 13 30.783 0.000 A 52 GLU CG C 13 37.620 0.000 A 52 GLU N N 15 119.825 0.002 A 53 VAL H H 1 8.241 0.000 A 53 VAL HA H 1 4.282 0.000 A 53 VAL HB H 1 1.863 0.000 A 53 VAL HGx% H 1 0.844 0.000 A 53 VAL HGy% H 1 0.857 0.000 A 53 VAL C C 13 175.229 0.000 A 53 VAL CA C 13 62.980 0.000 A 53 VAL CB C 13 32.270 0.000 A 53 VAL CGx C 13 21.360 0.000 A 53 VAL CGy C 13 21.990 0.000 A 53 VAL N N 15 120.481 0.002 A 54 CYS H H 1 7.998 0.000 A 54 CYS HA H 1 5.099 0.001 A 54 CYS HBy H 1 3.346 0.000 A 54 CYS HBx H 1 3.268 0.000 A 54 CYS C C 13 173.108 0.000 A 54 CYS CA C 13 53.189 0.000 A 54 CYS CB C 13 48.570 0.000 A 54 CYS N N 15 120.177 0.006 A 55 GLY H H 1 7.899 0.000 A 55 GLY HAy H 1 4.032 0.000 A 55 GLY HAx H 1 3.744 0.000 A 55 GLY C C 13 174.255 0.000 A 55 GLY CA C 13 44.817 0.000 A 55 GLY N N 15 106.286 0.001 A 56 TRP H H 1 8.514 0.000 A 56 TRP HA H 1 4.347 0.000 A 56 TRP HBy H 1 3.291 0.000 A 56 TRP HBx H 1 3.163 0.000 A 56 TRP HD1 H 1 7.222 0.001 A 56 TRP HE1 H 1 10.083 0.000 A 56 TRP HE3 H 1 7.565 0.000 A 56 TRP HZ2 H 1 7.336 0.000 A 56 TRP HZ3 H 1 7.140 0.000 A 56 TRP HH2 H 1 7.197 0.000 A 56 TRP C C 13 176.949 0.000 A 56 TRP CA C 13 58.897 0.000 A 56 TRP CB C 13 27.880 0.000 A 56 TRP CD1 C 13 128.131 0.000 A 56 TRP CE3 C 13 121.767 0.000 A 56 TRP CZ2 C 13 115.540 0.000 A 56 TRP CZ3 C 13 123.119 0.000 A 56 TRP CH2 C 13 125.395 0.000 A 56 TRP N N 15 121.620 0.003 A 56 TRP NE1 N 15 129.109 0.009 A 57 GLY H H 1 8.368 0.000 A 57 GLY HAy H 1 4.000 0.000 A 57 GLY HAx H 1 3.627 0.000 A 57 GLY C C 13 174.250 0.000 A 57 GLY CA C 13 45.206 0.000 A 57 GLY N N 15 108.765 0.004 A 58 SER H H 1 7.720 0.000 A 58 SER HA H 1 4.649 0.000 A 58 SER HBy H 1 3.763 0.000 A 58 SER HBx H 1 3.637 0.000 A 58 SER C C 13 173.035 0.000 A 58 SER CA C 13 57.285 0.000 A 58 SER CB C 13 64.201 0.000 A 58 SER N N 15 116.740 0.002 A 59 LYS H H 1 8.506 0.000 A 59 LYS HA H 1 4.527 0.000 A 59 LYS HBy H 1 1.830 0.000 A 59 LYS HBx H 1 1.689 0.000 A 59 LYS HGx H 1 1.431 0.000 A 59 LYS HGy H 1 1.431 0.000 A 59 LYS HDx H 1 1.646 0.000 A 59 LYS HDy H 1 1.646 0.000 A 59 LYS HEx H 1 2.974 0.000 A 59 LYS HEy H 1 2.974 0.000 A 59 LYS C C 13 176.944 0.000 A 59 LYS CA C 13 54.866 0.000 A 59 LYS CB C 13 33.857 0.000 A 59 LYS CG C 13 24.687 0.000 A 59 LYS CD C 13 28.950 0.000 A 59 LYS CE C 13 42.320 0.000 A 59 LYS N N 15 124.409 0.000 A 60 CYS H H 1 9.117 0.000 A 60 CYS HA H 1 5.101 0.000 A 60 CYS HBy H 1 3.153 0.000 A 60 CYS HBx H 1 2.533 0.000 A 60 CYS C C 13 176.360 0.000 A 60 CYS CA C 13 55.856 0.000 A 60 CYS CB C 13 40.754 0.000 A 60 CYS N N 15 120.520 0.002 A 61 CYS H H 1 9.581 0.000 A 61 CYS HA H 1 4.510 0.000 A 61 CYS HBy H 1 3.392 0.000 A 61 CYS HBx H 1 2.546 0.000 A 61 CYS C C 13 172.461 0.000 A 61 CYS CA C 13 54.240 0.000 A 61 CYS CB C 13 40.460 0.000 A 61 CYS N N 15 121.745 0.002 A 62 HIS H H 1 8.460 0.000 A 62 HIS HA H 1 4.346 0.000 A 62 HIS HBy H 1 3.235 0.000 A 62 HIS HBx H 1 3.070 0.000 A 62 HIS HD2 H 1 7.244 0.000 A 62 HIS HE1 H 1 8.335 0.000 A 62 HIS C C 13 175.622 0.000 A 62 HIS CA C 13 58.282 0.000 A 62 HIS CB C 13 29.250 0.000 A 62 HIS CD2 C 13 121.122 0.000 A 62 HIS CE1 C 13 138.367 0.000 A 62 HIS N N 15 117.481 0.005 A 63 GLY H H 1 8.613 0.001 A 63 GLY HAy H 1 4.154 0.000 A 63 GLY HAx H 1 3.438 0.000 A 63 GLY C C 13 173.046 0.000 A 63 GLY CA C 13 44.733 0.000 A 63 GLY N N 15 113.378 0.002 A 64 LEU H H 1 7.632 0.000 A 64 LEU HA H 1 4.867 0.000 A 64 LEU HBy H 1 2.090 0.000 A 64 LEU HBx H 1 1.156 0.000 A 64 LEU HG H 1 1.324 0.000 A 64 LEU HDx% H 1 0.621 0.000 A 64 LEU HDy% H 1 0.807 0.000 A 64 LEU C C 13 174.825 0.000 A 64 LEU CA C 13 52.853 0.000 A 64 LEU CB C 13 44.711 0.000 A 64 LEU CG C 13 26.600 0.000 A 64 LEU CDx C 13 23.371 0.000 A 64 LEU CDy C 13 26.797 0.000 A 64 LEU N N 15 119.834 0.003 A 65 ASP H H 1 9.289 0.000 A 65 ASP HA H 1 4.813 0.000 A 65 ASP HBy H 1 2.348 0.000 A 65 ASP HBx H 1 2.143 0.000 A 65 ASP C C 13 173.696 0.000 A 65 ASP CA C 13 52.570 0.000 A 65 ASP CB C 13 44.861 0.000 A 65 ASP N N 15 120.235 0.003 A 66 CYS H H 1 8.408 0.000 A 66 CYS HA H 1 5.249 0.000 A 66 CYS HBy H 1 3.241 0.000 A 66 CYS HBx H 1 3.075 0.000 A 66 CYS CA C 13 52.320 0.000 A 66 CYS CB C 13 41.072 0.000 A 66 CYS N N 15 123.159 0.004 A 67 PRO HA H 1 4.446 0.000 A 67 PRO HBy H 1 2.235 0.000 A 67 PRO HBx H 1 1.880 0.000 A 67 PRO HGy H 1 2.046 0.000 A 67 PRO HGx H 1 1.943 0.000 A 67 PRO HDy H 1 4.000 0.000 A 67 PRO HDx H 1 3.561 0.000 A 67 PRO C C 13 175.210 0.000 A 67 PRO CA C 13 62.710 0.000 A 67 PRO CB C 13 32.950 0.000 A 67 PRO CG C 13 27.100 0.000 A 67 PRO CD C 13 52.170 0.000 A 68 LEU H H 1 8.146 0.000 A 68 LEU HA H 1 4.253 0.000 A 68 LEU HBx H 1 1.528 0.000 A 68 LEU HBy H 1 1.528 0.000 A 68 LEU HG H 1 1.547 0.000 A 68 LEU HDx% H 1 0.866 0.000 A 68 LEU HDy% H 1 0.801 0.000 A 68 LEU C C 13 176.001 0.000 A 68 LEU CA C 13 55.039 0.000 A 68 LEU CB C 13 40.520 0.000 A 68 LEU CG C 13 27.176 0.000 A 68 LEU CDy C 13 24.800 0.000 A 68 LEU CDx C 13 23.910 0.000 A 68 LEU N N 15 119.951 0.001 A 69 ALA H H 1 7.424 0.000 A 69 ALA HA H 1 4.373 0.000 A 69 ALA HB% H 1 1.190 0.000 A 69 ALA C C 13 176.023 0.000 A 69 ALA CA C 13 50.870 0.000 A 69 ALA CB C 13 21.783 0.000 A 69 ALA N N 15 125.904 0.002 A 70 PHE H H 1 8.402 0.000 A 70 PHE HA H 1 4.354 0.000 A 70 PHE HBy H 1 3.185 0.000 A 70 PHE HBx H 1 3.067 0.000 A 70 PHE HDx H 1 7.321 0.000 A 70 PHE HDy H 1 7.321 0.000 A 70 PHE HEx H 1 7.380 0.000 A 70 PHE HEy H 1 7.380 0.000 A 70 PHE HZ H 1 7.321 0.000 A 70 PHE C C 13 176.754 0.000 A 70 PHE CA C 13 61.126 0.000 A 70 PHE CB C 13 38.634 0.000 A 70 PHE CDx C 13 132.722 0.003 A 70 PHE CDy C 13 132.722 0.000 A 70 PHE CEx C 13 132.686 0.000 A 70 PHE CEy C 13 132.686 0.000 A 70 PHE CZ C 13 132.727 0.000 A 70 PHE N N 15 120.619 0.004 A 71 ILE H H 1 7.775 0.000 A 71 ILE HA H 1 4.257 0.000 A 71 ILE HB H 1 1.742 0.000 A 71 ILE HG1x H 1 1.332 0.000 A 71 ILE HG1y H 1 1.332 0.000 A 71 ILE HG21 H 1 0.563 0.000 A 71 ILE HG22 H 1 0.563 0.000 A 71 ILE HG23 H 1 0.563 0.000 A 71 ILE HD11 H 1 0.805 0.000 A 71 ILE HD1% H 1 0.805 0.000 A 71 ILE CA C 13 58.690 0.000 A 71 ILE CB C 13 38.600 0.000 A 71 ILE CG1 C 13 26.990 0.000 A 71 ILE CG2 C 13 17.610 0.000 A 71 ILE CD1 C 13 12.984 0.000 A 71 ILE N N 15 117.403 0.003 A 72 PRO HA H 1 4.341 0.000 A 72 PRO HBy H 1 2.084 0.000 A 72 PRO HBx H 1 2.022 0.000 A 72 PRO HGx H 1 2.147 0.000 A 72 PRO HGy H 1 2.147 0.000 A 72 PRO HDx H 1 3.611 0.000 A 72 PRO HDy H 1 3.611 0.000 A 72 PRO C C 13 174.616 0.000 A 72 PRO CA C 13 62.040 0.000 A 72 PRO CB C 13 32.694 0.000 A 72 PRO CG C 13 26.650 0.000 A 72 PRO CD C 13 50.410 0.000 A 73 TYR H H 1 7.376 0.000 A 73 TYR HA H 1 5.042 0.000 A 73 TYR HBy H 1 2.615 0.000 A 73 TYR HBx H 1 2.439 0.000 A 73 TYR HDx H 1 6.890 0.000 A 73 TYR HDy H 1 6.890 0.000 A 73 TYR HEx H 1 6.680 0.000 A 73 TYR HEy H 1 6.680 0.000 A 73 TYR C C 13 176.331 0.000 A 73 TYR CA C 13 55.105 0.000 A 73 TYR CB C 13 41.418 0.000 A 73 TYR CDx C 13 134.383 0.000 A 73 TYR CDy C 13 134.383 0.000 A 73 TYR CEx C 13 119.110 0.000 A 73 TYR CEy C 13 119.110 0.000 A 73 TYR N N 15 116.903 0.006 A 74 CYS H H 1 8.679 0.000 A 74 CYS HA H 1 4.762 0.000 A 74 CYS HBy H 1 3.275 0.000 A 74 CYS HBx H 1 2.651 0.000 A 74 CYS C C 13 176.127 0.000 A 74 CYS CA C 13 57.219 0.000 A 74 CYS CB C 13 41.567 0.000 A 74 CYS N N 15 118.150 0.001 A 75 GLU H H 1 9.285 0.000 A 75 GLU HA H 1 4.940 0.000 A 75 GLU HBy H 1 2.081 0.000 A 75 GLU HBx H 1 1.957 0.000 A 75 GLU HGx H 1 2.354 0.000 A 75 GLU HGy H 1 2.354 0.000 A 75 GLU C C 13 174.500 0.000 A 75 GLU CA C 13 54.008 0.000 A 75 GLU CB C 13 33.592 0.000 A 75 GLU CG C 13 34.536 0.000 A 75 GLU N N 15 122.658 0.005 A 76 LYS H H 1 8.850 0.000 A 76 LYS HA H 1 4.316 0.000 A 76 LYS HBy H 1 1.800 0.000 A 76 LYS HBx H 1 1.596 0.000 A 76 LYS HGx H 1 1.339 0.000 A 76 LYS HGy H 1 1.413 0.000 A 76 LYS HDx H 1 1.647 0.000 A 76 LYS HDy H 1 1.647 0.000 A 76 LYS HEx H 1 2.965 0.000 A 76 LYS HEy H 1 2.965 0.000 A 76 LYS C C 13 176.680 0.000 A 76 LYS CA C 13 57.063 0.000 A 76 LYS CB C 13 33.250 0.000 A 76 LYS CG C 13 25.296 0.000 A 76 LYS CD C 13 29.279 0.000 A 76 LYS CE C 13 41.840 0.000 A 76 LYS N N 15 122.303 0.003 A 77 TYR H H 1 8.101 0.000 A 77 TYR HA H 1 4.493 0.000 A 77 TYR HBy H 1 2.980 0.000 A 77 TYR HBx H 1 2.834 0.000 A 77 TYR HDx H 1 7.053 0.000 A 77 TYR HDy H 1 7.053 0.000 A 77 TYR HEx H 1 6.765 0.000 A 77 TYR HEy H 1 6.765 0.000 A 77 TYR C C 13 175.259 0.000 A 77 TYR CA C 13 58.400 0.000 A 77 TYR CB C 13 38.650 0.000 A 77 TYR CDx C 13 133.993 0.000 A 77 TYR CDy C 13 133.993 0.000 A 77 TYR CEx C 13 119.123 0.000 A 77 TYR CEy C 13 119.123 0.000 A 77 TYR N N 15 122.955 0.004 A 78 ARG H H 1 7.931 0.000 A 78 ARG HA H 1 4.094 0.000 A 78 ARG HBx H 1 1.655 0.000 A 78 ARG HBy H 1 1.777 0.000 A 78 ARG HGx H 1 1.524 0.000 A 78 ARG HGy H 1 1.524 0.000 A 78 ARG HDx H 1 3.140 0.000 A 78 ARG HDy H 1 3.140 0.000 A 78 ARG HE H 1 7.187 0.000 A 78 ARG CA C 13 57.450 0.000 A 78 ARG CB C 13 31.711 0.000 A 78 ARG CG C 13 27.210 0.000 A 78 ARG CD C 13 43.540 0.000 A 78 ARG N N 15 128.059 0.001 A 78 ARG NE N 15 113.408 0.000 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 2 ASP C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -172.0 -95.3 PHI 2 2 A 3 CYS N A 3 CYS CA A 3 CYS C A 4 ALA N 1.0 133.4 173.4 PSI 3 3 A 3 CYS C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -165.1 -56.4 PHI 4 4 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 LYS N 1.0 97.2 161.1 PSI 5 5 A 4 ALA C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -98.1 -58.1 PHI 6 6 A 5 LYS N A 5 LYS CA A 5 LYS C A 6 GLU N 1.0 125.0 175.4 PSI 7 7 A 5 LYS C A 6 GLU N A 6 GLU CA A 6 GLU C 1.0 -78.1 -38.1 PHI 8 8 A 6 GLU N A 6 GLU CA A 6 GLU C A 7 GLY N 1.0 113.1 153.1 PSI 9 9 A 6 GLU C A 7 GLY N A 7 GLY CA A 7 GLY C 1.0 70.1 110.1 PHI 10 10 A 7 GLY N A 7 GLY CA A 7 GLY C A 8 GLU N 1.0 -28.1 11.9 PSI 11 11 A 7 GLY C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -94.2 -54.2 PHI 12 12 A 8 GLU N A 8 GLU CA A 8 GLU C A 9 VAL N 1.0 121.0 161.0 PSI 13 13 A 8 GLU C A 9 VAL N A 9 VAL CA A 9 VAL C 1.0 -134.4 -62.0 PHI 14 14 A 9 VAL N A 9 VAL CA A 9 VAL C A 10 CYS N 1.0 107.2 152.0 PSI 15 15 A 9 VAL C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -188.0 -92.1 PHI 16 16 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 SER N 1.0 137.5 180.2 PSI 17 17 A 10 CYS C A 11 SER N A 11 SER CA A 11 SER C 1.0 -149.4 -27.1 PHI 18 18 A 11 SER N A 11 SER CA A 11 SER C A 12 TRP N 1.0 121.5 194.3 PSI 19 19 A 11 SER C A 12 TRP N A 12 TRP CA A 12 TRP C 1.0 -83.6 -43.6 PHI 20 20 A 12 TRP N A 12 TRP CA A 12 TRP C A 13 GLY N 1.0 -41.3 -1.3 PSI 21 21 A 13 GLY C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -103.7 -53.2 PHI 22 22 A 14 LYS N A 14 LYS CA A 14 LYS C A 15 LYS N 1.0 106.6 159.0 PSI 23 23 A 14 LYS C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -107.5 -53.6 PHI 24 24 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 CYS N 1.0 115.1 170.7 PSI 25 25 A 16 CYS C A 17 CYS N A 17 CYS CA A 17 CYS C 1.0 -101.3 -52.2 PHI 26 26 A 17 CYS N A 17 CYS CA A 17 CYS C A 18 ASP N 1.0 -49.0 12.1 PSI 27 27 A 18 ASP C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -86.7 -46.7 PHI 28 28 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 ASP N 1.0 -45.4 -5.4 PSI 29 29 A 19 LEU C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -104.0 -53.9 PHI 30 30 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 ASN N 1.0 -38.9 1.6 PSI 31 31 A 21 ASN C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -155.6 -94.7 PHI 32 32 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 TYR N 1.0 127.4 170.8 PSI 33 33 A 22 PHE C A 23 TYR N A 23 TYR CA A 23 TYR C 1.0 -170.8 -103.4 PHI 34 34 A 23 TYR N A 23 TYR CA A 23 TYR C A 24 CYS N 1.0 129.0 176.0 PSI 35 35 A 23 TYR C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 -154.4 -63.8 PHI 36 36 A 24 CYS N A 24 CYS CA A 24 CYS C A 25 PRO N 1.0 80.3 167.6 PSI 37 37 A 25 PRO N A 25 PRO CA A 25 PRO C A 26 MET N 1.0 129.7 171.6 PSI 38 38 A 25 PRO C A 26 MET N A 26 MET CA A 26 MET C 1.0 -112.2 -47.6 PHI 39 39 A 26 MET N A 26 MET CA A 26 MET C A 27 GLU N 1.0 82.7 163.0 PSI 40 40 A 26 MET C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -163.3 -117.5 PHI 41 41 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 PHE N 1.0 130.6 181.2 PSI 42 42 A 28 PHE C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -123.8 -43.5 PHI 43 43 A 29 ILE N A 29 ILE CA A 29 ILE C A 30 PRO N 1.0 104.0 168.5 PSI 44 44 A 30 PRO C A 31 HIS N A 31 HIS CA A 31 HIS C 1.0 -166.4 -102.6 PHI 45 45 A 31 HIS N A 31 HIS CA A 31 HIS C A 32 CYS N 1.0 132.8 177.8 PSI 46 46 A 32 CYS C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -153.4 -113.4 PHI 47 47 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 LYS N 1.0 130.9 170.9 PSI 48 48 A 33 LYS C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -87.7 -47.7 PHI 49 49 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 TYR N 1.0 120.3 160.3 PSI 50 50 A 34 LYS C A 35 TYR N A 35 TYR CA A 35 TYR C 1.0 -87.4 -47.4 PHI 51 51 A 35 TYR N A 35 TYR CA A 35 TYR C A 36 LYS N 1.0 118.0 158.0 PSI 52 52 A 35 TYR C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -137.7 -38.0 PHI 53 53 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 PRO N 1.0 102.5 173.5 PSI 54 54 A 37 PRO N A 37 PRO CA A 37 PRO C A 38 TYR N 1.0 125.5 165.5 PSI 55 55 A 37 PRO C A 38 TYR N A 38 TYR CA A 38 TYR C 1.0 -103.3 -41.0 PHI 56 56 A 38 TYR N A 38 TYR CA A 38 TYR C A 39 VAL N 1.0 102.9 154.6 PSI 57 57 A 38 TYR C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -134.9 -70.2 PHI 58 58 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 PRO N 1.0 105.0 168.2 PSI 59 59 A 40 PRO N A 40 PRO CA A 40 PRO C A 41 VAL N 1.0 122.8 162.8 PSI 60 60 A 40 PRO C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -102.7 -49.5 PHI 61 61 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 THR N 1.0 120.0 163.0 PSI 62 62 A 41 VAL C A 42 THR N A 42 THR CA A 42 THR C 1.0 -122.9 -37.0 PHI 63 63 A 42 THR N A 42 THR CA A 42 THR C A 43 THR N 1.0 122.4 162.4 PSI 64 64 A 43 THR C A 44 SER N A 44 SER CA A 44 SER C 1.0 -89.1 -49.1 PHI 65 65 A 44 SER N A 44 SER CA A 44 SER C A 45 PHE N 1.0 126.2 166.2 PSI 66 66 A 44 SER C A 45 PHE N A 45 PHE CA A 45 PHE C 1.0 -101.3 -51.7 PHI 67 67 A 45 PHE N A 45 PHE CA A 45 PHE C A 46 ASN N 1.0 111.6 162.4 PSI 68 68 A 46 ASN C A 47 CYS N A 47 CYS CA A 47 CYS C 1.0 -179.8 -61.8 PHI 69 69 A 47 CYS N A 47 CYS CA A 47 CYS C A 48 ALA N 1.0 112.4 177.3 PSI 70 70 A 47 CYS C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -139.8 -35.9 PHI 71 71 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 LYS N 1.0 110.5 166.3 PSI 72 72 A 48 ALA C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -134.4 -56.9 PHI 73 73 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 GLU N 1.0 124.5 176.1 PSI 74 74 A 49 LYS C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -78.4 -38.4 PHI 75 75 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 GLY N 1.0 110.5 150.5 PSI 76 76 A 50 GLU C A 51 GLY N A 51 GLY CA A 51 GLY C 1.0 69.9 109.9 PHI 77 77 A 51 GLY N A 51 GLY CA A 51 GLY C A 52 GLU N 1.0 -29.5 10.5 PSI 78 78 A 51 GLY C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -105.7 -55.9 PHI 79 79 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 VAL N 1.0 121.7 162.8 PSI 80 80 A 53 VAL C A 54 CYS N A 54 CYS CA A 54 CYS C 1.0 -171.2 -116.1 PHI 81 81 A 54 CYS N A 54 CYS CA A 54 CYS C A 55 GLY N 1.0 136.5 180.0 PSI 82 82 A 56 TRP C A 57 GLY N A 57 GLY CA A 57 GLY C 1.0 63.6 103.6 PHI 83 83 A 57 GLY N A 57 GLY CA A 57 GLY C A 58 SER N 1.0 -22.4 32.6 PSI 84 84 A 57 GLY C A 58 SER N A 58 SER CA A 58 SER C 1.0 -116.7 -57.1 PHI 85 85 A 58 SER N A 58 SER CA A 58 SER C A 59 LYS N 1.0 116.8 172.1 PSI 86 86 A 58 SER C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -124.0 -64.2 PHI 87 87 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 CYS N 1.0 106.9 157.4 PSI 88 88 A 59 LYS C A 60 CYS N A 60 CYS CA A 60 CYS C 1.0 -89.8 -49.8 PHI 89 89 A 60 CYS N A 60 CYS CA A 60 CYS C A 61 CYS N 1.0 123.5 163.5 PSI 90 90 A 61 CYS C A 62 HIS N A 62 HIS CA A 62 HIS C 1.0 -79.5 -39.5 PHI 91 91 A 62 HIS N A 62 HIS CA A 62 HIS C A 63 GLY N 1.0 112.5 152.5 PSI 92 92 A 62 HIS C A 63 GLY N A 63 GLY CA A 63 GLY C 1.0 69.2 109.2 PHI 93 93 A 63 GLY N A 63 GLY CA A 63 GLY C A 64 LEU N 1.0 -22.3 17.7 PSI 94 94 A 63 GLY C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -141.5 -87.0 PHI 95 95 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 ASP N 1.0 116.0 160.4 PSI 96 96 A 64 LEU C A 65 ASP N A 65 ASP CA A 65 ASP C 1.0 -161.8 -88.9 PHI 97 97 A 65 ASP N A 65 ASP CA A 65 ASP C A 66 CYS N 1.0 106.3 171.8 PSI 98 98 A 65 ASP C A 66 CYS N A 66 CYS CA A 66 CYS C 1.0 -151.8 -65.6 PHI 99 99 A 66 CYS N A 66 CYS CA A 66 CYS C A 67 PRO N 1.0 70.8 186.7 PSI 100 100 A 67 PRO C A 68 LEU N A 68 LEU CA A 68 LEU C 1.0 -98.9 -47.3 PHI 101 101 A 68 LEU N A 68 LEU CA A 68 LEU C A 69 ALA N 1.0 95.6 162.4 PSI 102 102 A 68 LEU C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -175.2 -51.4 PHI 103 103 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 PHE N 1.0 117.8 185.0 PSI 104 104 A 69 ALA C A 70 PHE N A 70 PHE CA A 70 PHE C 1.0 -99.3 -46.4 PHI 105 105 A 70 PHE N A 70 PHE CA A 70 PHE C A 71 ILE N 1.0 -66.0 -10.2 PSI 106 106 A 70 PHE C A 71 ILE N A 71 ILE CA A 71 ILE C 1.0 -150.3 -43.1 PHI 107 107 A 71 ILE N A 71 ILE CA A 71 ILE C A 72 PRO N 1.0 85.2 187.4 PSI 108 108 A 72 PRO N A 72 PRO CA A 72 PRO C A 73 TYR N 1.0 125.4 169.4 PSI 109 109 A 72 PRO C A 73 TYR N A 73 TYR CA A 73 TYR C 1.0 -167.9 -97.3 PHI 110 110 A 73 TYR N A 73 TYR CA A 73 TYR C A 74 CYS N 1.0 130.7 175.0 PSI 111 111 A 74 CYS C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -161.6 -118.4 PHI 112 112 A 75 GLU N A 75 GLU CA A 75 GLU C A 76 LYS N 1.0 130.9 175.4 PSI 113 113 A 75 GLU C A 76 LYS N A 76 LYS CA A 76 LYS C 1.0 -89.9 -49.3 PHI 114 114 A 76 LYS N A 76 LYS CA A 76 LYS C A 77 TYR N 1.0 119.0 159.0 PSI 115 115 A 76 LYS C A 77 TYR N A 77 TYR CA A 77 TYR C 1.0 -89.8 -48.2 PHI 116 116 A 77 TYR N A 77 TYR CA A 77 TYR C A 78 ARG N 1.0 117.4 157.4 PSI 117 117 A 12 TRP C A 13 GLY N A 13 GLY CA A 13 GLY C 1.0 -109.0 -69.0 PHI 118 118 A 13 GLY N A 13 GLY CA A 13 GLY C A 14 LYS N 1.0 -23.9 16.4 PSI 119 119 A 52 GLU C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -114.3 -55.6 PHI 120 120 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 CYS N 1.0 113.7 153.7 PSI 121 121 A 60 CYS C A 61 CYS N A 61 CYS CA A 61 CYS C 1.0 -89.6 -49.6 PHI 122 122 A 61 CYS N A 61 CYS CA A 61 CYS C A 62 HIS N 1.0 127.1 171.3 PSI 123 123 A 67 PRO N A 67 PRO CA A 67 PRO C A 68 LEU N 1.0 126.2 166.3 PSI 124 124 A 9 VAL N A 9 VAL CA A 9 VAL CB A 9 VAL CG1 1.0 -189.3 -168.1 CHI1 125 125 A 10 CYS N A 10 CYS CA A 10 CYS CB A 10 CYS SG 1.0 45.2 86.0 CHI1 126 126 A 11 SER N A 11 SER CA A 11 SER CB A 11 SER OG 1.0 49.4 93.4 CHI1 127 127 A 20 ASP N A 20 ASP CA A 20 ASP CB A 20 ASP CG 1.0 -78.0 -49.6 CHI1 128 128 A 22 PHE N A 22 PHE CA A 22 PHE CB A 22 PHE CG 1.0 -95.0 -43.4 CHI1 129 129 A 23 TYR N A 23 TYR CA A 23 TYR CB A 23 TYR CG 1.0 48.9 80.1 CHI1 130 130 A 28 PHE N A 28 PHE CA A 28 PHE CB A 28 PHE CG 1.0 -78.8 -59.2 CHI1 131 131 A 29 ILE N A 29 ILE CA A 29 ILE CB A 29 ILE CG1 1.0 -73.8 -41.4 CHI1 132 132 A 31 HIS N A 31 HIS CA A 31 HIS CB A 31 HIS CG 1.0 -78.8 -42.4 CHI1 133 133 A 32 CYS N A 32 CYS CA A 32 CYS CB A 32 CYS SG 1.0 -77.9 -42.7 CHI1 134 134 A 35 TYR N A 35 TYR CA A 35 TYR CB A 35 TYR CG 1.0 -85.0 -49.8 CHI1 135 135 A 36 LYS N A 36 LYS CA A 36 LYS CB A 36 LYS CG 1.0 -84.4 -44.4 CHI1 136 136 A 39 VAL N A 39 VAL CA A 39 VAL CB A 39 VAL CG1 1.0 -187.4 -167.8 CHI1 137 137 A 41 VAL N A 41 VAL CA A 41 VAL CB A 41 VAL CG1 1.0 -192.8 -165.2 CHI1 138 138 A 45 PHE N A 45 PHE CA A 45 PHE CB A 45 PHE CG 1.0 -82.2 -53.8 CHI1 139 139 A 53 VAL N A 53 VAL CA A 53 VAL CB A 53 VAL CG1 1.0 165.6 194.4 CHI1 140 140 A 54 CYS N A 54 CYS CA A 54 CYS CB A 54 CYS SG 1.0 -121.6 -13.6 CHI1 141 141 A 56 TRP N A 56 TRP CA A 56 TRP CB A 56 TRP CG 1.0 -96.7 -27.1 CHI1 142 142 A 60 CYS N A 60 CYS CA A 60 CYS CB A 60 CYS SG 1.0 -74.4 -57.6 CHI1 143 143 A 61 CYS N A 61 CYS CA A 61 CYS CB A 61 CYS SG 1.0 -67.7 -40.1 CHI1 144 144 A 64 LEU N A 64 LEU CA A 64 LEU CB A 64 LEU CG 1.0 -110.0 -32.4 CHI1 145 145 A 65 ASP N A 65 ASP CA A 65 ASP CB A 65 ASP CG 1.0 -191.3 -156.5 CHI1 146 146 A 68 LEU N A 68 LEU CA A 68 LEU CB A 68 LEU CG 1.0 -85.6 -44.0 CHI1 147 147 A 70 PHE N A 70 PHE CA A 70 PHE CB A 70 PHE CG 1.0 -89.5 -42.7 CHI1 148 148 A 71 ILE N A 71 ILE CA A 71 ILE CB A 71 ILE CG1 1.0 -78.7 -43.5 CHI1 149 149 A 73 TYR N A 73 TYR CA A 73 TYR CB A 73 TYR CG 1.0 -82.5 -44.9 CHI1 150 150 A 74 CYS N A 74 CYS CA A 74 CYS CB A 74 CYS SG 1.0 -75.4 -43.4 CHI1 stop_ save_